A0A077Z7S4_TRITR Loading...

Mediator of RNA polymerase II transcription subun it 27

AlphaFold DB , UniProt , Accession A0A077Z7S4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 336 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	35.5	Very low	30.1	Very low	239 Å²	239	155.2 Å²	155.2	100%	1.177	82%	0.821	S	S	*	*				0	94.9	0	-175.2	178.2	-96.9	0	0	107.1	C3	M1-C3 PolarHBondContact O-N 3.15Å
2	F	33	Very low	30	Very low	211 Å²	211	155.5 Å²	155.5	93%	0.925	82%	0.824	S	S	*	*			trans	-70.9	107.5	-177.7	-85.2	-90.3	0	0	0	109.3	C4	F2-C4 VanDerWaalsContact C-N 3.3Å; F2-C4 PolarHBondContact O-N 3.15Å
3	C	28.7	Very low	29.9	Very low	118 Å²	118	150.8 Å²	150.8	80%	0.797	82%	0.821	S	S	*	*			trans	-77.8	85.1	172.7	-155.7	0	0	0	0	108.1	M1 V5	M1-C3 PolarHBondContact O-N 3.15Å; C3-V5 PolarHBondContact O-N 3.2Å
4	C	27.1	Very low	30	Very low	114 Å²	114	152.9 Å²	152.9	77%	0.77	83%	0.829	S	S	*	*			trans	-67.6	98.2	165.4	-108.1	0	0	0	0	107.7	F2 V6	F2-C4 VanDerWaalsContact C-N 3.3Å; F2-C4 PolarHBondContact O-N 3.15Å; C4-V6 VanDerWaalsContact C-N 3.28Å; C4-V6 PolarHBondContact O-N 3.3Å
5	V	31.4	Very low	29.8	Very low	113 Å²	113	149.1 Å²	149.1	69%	0.685	82%	0.819	S	S	*	*			trans	-67.7	94.2	164.9	176.4	0	0	0	0	106.9	C3 M7	C3-V5 PolarHBondContact O-N 3.2Å; V5-M7 PolarHBondContact O-N 3.05Å
6	V	29.6	Very low	29.7	Very low	124 Å²	124	147.6 Å²	147.6	75%	0.752	82%	0.815	S	S	*	*			trans	-64.2	103.5	168.2	177	0	0	0	0	106.6	C4 S8	C4-V6 VanDerWaalsContact C-N 3.28Å; C4-V6 PolarHBondContact O-N 3.3Å; V6-S8 PolarHBondContact O-N 2.73Å
7	M	30.8	Very low	29.9	Very low	173 Å²	173	145.3 Å²	145.3	85%	0.852	81%	0.812	S	S	*	*			trans	-65.5	99.2	168.3	-73.5	-135.9	158.7	0	0	108.4	V5 K9	V5-M7 PolarHBondContact O-N 3.05Å; M7-K9 PolarHBondContact O-N 3.14Å
8	S	28.5	Very low	30.1	Very low	95 Å²	95	146.6 Å²	146.6	66%	0.664	82%	0.817	S	S	*	*			trans	-63.9	129.9	175	-158.9	0	0	0	0	109.6	V6 D10	V6-S8 PolarHBondContact O-N 2.73Å; S8-D10 VanDerWaalsContact C-N 3.29Å; S8-D10 PolarHBondContact O-N 3.2Å
9	K	27.9	Very low	30.5	Very low	190 Å²	190	143.3 Å²	143.3	83%	0.826	81%	0.81	S	S	*	*			trans	-71.1	78.5	175.9	-82.4	176.1	169.7	168.1	0	110.3	M7 K11	M7-K9 PolarHBondContact O-N 3.14Å; K9-K11 VanDerWaalsContact C-N 3.31Å; K9-K11 PolarHBondContact O-N 2.81Å; K9-K11 VanDerWaalsContact O-N 3.09Å
10	D	30.4	Very low	30.8	Very low	151 Å²	151	138.1 Å²	138.1	81%	0.807	79%	0.791	S	S	*	*			trans	-83.6	84.6	165.6	-74.9	-24.7	0	0	0	109.5	S8 N12	S8-D10 VanDerWaalsContact C-N 3.29Å; S8-D10 PolarHBondContact O-N 3.2Å; D10-N12 PolarHBondContact O-N 3.42Å
11	K	28.4	Very low	31.4	Very low	179 Å²	179	137.4 Å²	137.4	78%	0.778	79%	0.789	S	S	*	*			trans	-69.7	99.3	160.5	-71.5	179.5	174.6	-176.6	0	107.7	K9	K9-K11 VanDerWaalsContact C-N 3.31Å; K9-K11 PolarHBondContact O-N 2.81Å; K9-K11 VanDerWaalsContact O-N 3.09Å
12	N	28.3	Very low	32	Very low	159 Å²	159	130.7 Å²	130.7	85%	0.85	77%	0.766	S	S	*	*			trans	-165.9	108.6	145.8	-98.1	-19.3	0	0	0	112.3	D10	D10-N12 PolarHBondContact O-N 3.42Å
13	A	28.8	Very low	32.9	Very low	95 Å²	95	124 Å²	124	79%	0.785	74%	0.739	S	S	*	*			trans	46	93.6	140.1	0	0	0	0	0	118.4
14	L	31.6	Very low	34.4	Very low	179 Å²	179	122.9 Å²	122.9	94%	0.937	73%	0.725	S	S	*	*			trans	-133.5	117.4	133.8	-148.6	74.4	0	0	0	109.3
15	S	27.4	Very low	36.5	Very low	96 Å²	96	121.5 Å²	121.5	67%	0.671	71%	0.713	S	S	*	*			trans	-77.7	149.6	-176.2	50	0	0	0	0	112.4
16	T	28.4	Very low	38.4	Very low	125 Å²	125	117.3 Å²	117.3	77%	0.767	69%	0.693	S	S	*	*			trans	71.9	90.3	150	58.9	0	0	0	0	119.1
17	S	32.3	Very low	40.5	Very low	109 Å²	109	113.7 Å²	113.7	76%	0.762	67%	0.671	S	S	*	*				-149.6	107.2	127.6	56.7	0	0	0	0	109.8	A19	S17-A19 PolarHBondContact O-N 2.92Å
18	D	34.7	Very low	42.7	Very low	169 Å²	169	110.8 Å²	110.8	90%	0.904	66%	0.658	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.4	46.9	-177.3	-75.7	-38.2	0	0	0	113.8
19	A	37.7	Very low	45.1	Very low	83 Å²	83	111.3 Å²	111.3	69%	0.686	65%	0.65	S	S	*	*	T	Hydrogen-bonded Turn	trans	-122.2	7.1	174.7	0	0	0	0	0	113.5	S17	S17-A19 PolarHBondContact O-N 2.92Å
20	G	36.3	Very low	47.6	Very low	40 Å²	40	102.7 Å²	102.7	41%	0.412	61%	0.614	S	S	.	*			trans	-88.9	-18.2	-174.2	0	0	0	0	0	116.4	S22	G20-S22 PolarHBondContact O-N 3.1Å
21	T	43.6	Very low	50	Low	124 Å²	124	99.7 Å²	99.7	76%	0.761	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80.3	-20.1	-164.8	49.2	0	0	0	0	115.6
22	S	47.3	Very low	52.6	Low	98 Å²	98	96.2 Å²	96.2	69%	0.685	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.3	-22.5	-179.4	71.7	0	0	0	0	114.2	G20	G20-S22 PolarHBondContact O-N 3.1Å
23	L	51.4	Low	55.2	Low	69 Å²	69	89.4 Å²	89.4	36%	0.361	55%	0.551	S	S	.	*	H	α-helix	trans	-83.8	-23.6	-178.5	-118.2	84.3	0	0	0	113.2	V25 T27	L23-V25 VanDerWaalsContact C-N 3.34Å; L23-V25 PolarHBondContact O-N 2.81Å; L23-T27 WeakPolarHBondContact O-CG2 3.13Å; L23-T27 PolarHBondContact O-N 3.24Å; L23-T27 PolarHBondContact O-OG1 3.44Å
24	D	60	Low	57.9	Low	95 Å²	95	89.2 Å²	89.2	51%	0.508	54%	0.535	S	S	.	.	H	α-helix	trans	-67	-32.8	-175.6	-77.8	-17.2	0	0	0	112.7	T27 L28	D24-T27 PolarHBondContact O-OG1 3.43Å; D24-T27 VanDerWaalsContact O-OG1 3.11Å; D24-L28 VanDerWaalsContact O-CB 3.25Å; D24-L28 WeakPolarHBondContact O-CB 3.31Å; D24-L28 WeakPolarHBondContact O-CD1 3.28Å; D24-L28 WeakPolarHBondContact O-CG 3.22Å; D24-L28 PolarHBondContact O-N 2.76Å
25	V	71.3	Confident	60.4	Low	85 Å²	85	88.3 Å²	88.3	52%	0.515	52%	0.519	S	S	.	.	H	α-helix	trans	-72.1	-44.8	-175.3	-174.9	0	0	0	0	111.7	L23 L28 Q29	L23-V25 VanDerWaalsContact C-N 3.34Å; L23-V25 PolarHBondContact O-N 2.81Å; V25-L28 PolarHBondContact O-N 3.41Å; V25-Q29 WeakPolarHBondContact O-CB 3.35Å; V25-Q29 VanDerWaalsContact O-CG 3.3Å; V25-Q29 WeakPolarHBondContact O-CG 3.24Å; V25-Q29 PolarHBondContact O-N 3.5Å
26	G	71.2	Confident	63.1	Low	26 Å²	26	88.7 Å²	88.7	27%	0.268	51%	0.511	S	S	.	.	H	α-helix	trans	-69.3	-36.5	-179	0	0	0	0	0	112.9	A30	G26-A30 WeakPolarHBondContact O-CB 3.42Å; G26-A30 PolarHBondContact O-N 3.49Å
27	T	73.5	Confident	65.9	Low	47 Å²	47	84.4 Å²	84.4	29%	0.288	48%	0.483	S	S	.	.	H	α-helix	trans	-69.8	-41.2	175.3	53.2	0	0	0	0	111.9	L23 D24 A30 L31 F90	L23-T27 WeakPolarHBondContact O-CG2 3.13Å; L23-T27 PolarHBondContact O-N 3.24Å; L23-T27 PolarHBondContact O-OG1 3.44Å; D24-T27 PolarHBondContact O-OG1 3.43Å; D24-T27 VanDerWaalsContact O-OG1 3.11Å; T27-A30 PolarHBondContact O-N 2.84Å; T27-L31 WeakPolarHBondContact O-CB 3.29Å; T27-L31 VanDerWaalsContact O-CG 3.29Å; T27-L31 WeakPolarHBondContact O-CG 3.49Å; T27-L31 PolarHBondContact O-N 3.43Å; T27-F90 HydrophobicContact CG2-CE1 3.58Å; T27-F90 HydrophobicContact CG2-CZ 3.88Å
28	L	78.2	Confident	68.5	Low	112 Å²	112	88.3 Å²	88.3	59%	0.586	48%	0.481	S	S	*	.	H	α-helix	trans	-64	-41.4	174.7	-72.3	171.1	0	0	0	112.2	D24 V25 L31 E32	D24-L28 VanDerWaalsContact O-CB 3.25Å; D24-L28 WeakPolarHBondContact O-CB 3.31Å; D24-L28 WeakPolarHBondContact O-CD1 3.28Å; D24-L28 WeakPolarHBondContact O-CG 3.22Å; D24-L28 PolarHBondContact O-N 2.76Å; V25-L28 PolarHBondContact O-N 3.41Å; L28-L31 PolarHBondContact O-N 3.19Å; L28-E32 PolarHBondContact O-N 2.91Å
29	Q	79.3	Confident	70.9	Confident	106 Å²	106	82.4 Å²	82.4	50%	0.495	45%	0.453	S	S	.	.	H	α-helix	trans	-63.6	-42.5	175.2	-76.2	176.8	-13.5	0	0	112.2	V25 E32 A33 F86	V25-Q29 WeakPolarHBondContact O-CB 3.35Å; V25-Q29 VanDerWaalsContact O-CG 3.3Å; V25-Q29 WeakPolarHBondContact O-CG 3.24Å; V25-Q29 PolarHBondContact O-N 3.5Å; Q29-E32 PolarHBondContact O-N 2.83Å; Q29-A33 PolarHBondContact O-N 3.29Å; Q29-F86 HydrophobicContact CB-CE1 4.48Å; Q29-F86 HydrophobicContact CB-CZ 4.36Å
30	A	79.8	Confident	73.3	Confident	9 Å²	9	79.4 Å²	79.4	7%	0.074	43%	0.425	C	S	.	.	H	α-helix	trans	-64.2	-41.4	175.8	0	0	0	0	0	111.9	G26 T27 E32 A33 I34 F86 F90	G26-A30 WeakPolarHBondContact O-CB 3.42Å; G26-A30 PolarHBondContact O-N 3.49Å; T27-A30 PolarHBondContact O-N 2.84Å; A30-E32 VanDerWaalsContact C-N 3.31Å; A30-E32 PolarHBondContact O-N 2.72Å; A30-A33 PolarHBondContact O-N 3.06Å; A30-I34 VanDerWaalsContact O-CG1 3.29Å; A30-I34 WeakPolarHBondContact O-CG1 3.39Å; A30-I34 PolarHBondContact O-N 3.35Å; A30-F86 HydrophobicContact CB-CB 4.2Å; A30-F86 HydrophobicContact CB-CD1 4.4Å; A30-F86 HydrophobicContact CB-CD2 4.43Å; A30-F86 HydrophobicContact CB-CG 4.11Å; A30-F90 HydrophobicContact CB-CE2 3.71Å; A30-F90 HydrophobicContact CB-CZ 4.05Å
31	L	81	Confident	75.7	Confident	89 Å²	89	78.8 Å²	78.8	47%	0.466	42%	0.416	S	S	.	.	H	α-helix	trans	-63.6	-37	175.4	-73.9	172.4	0	0	0	112.3	T27 L28 I34 R35	T27-L31 WeakPolarHBondContact O-CB 3.29Å; T27-L31 VanDerWaalsContact O-CG 3.29Å; T27-L31 WeakPolarHBondContact O-CG 3.49Å; T27-L31 PolarHBondContact O-N 3.43Å; L28-L31 PolarHBondContact O-N 3.19Å; L31-I34 PolarHBondContact O-N 3.1Å; L31-R35 WeakPolarHBondContact O-CG 3Å; L31-R35 PolarHBondContact O-N 3.03Å
32	E	82.4	Confident	77.7	Confident	106 Å²	106	75.9 Å²	75.9	50%	0.495	40%	0.399	S	S	.	.	H	α-helix	trans	-68.3	-42.1	176.3	-159.8	62.1	-165.3	0	0	111.4	L28 Q29 A30 I34 R35 E36	L28-E32 PolarHBondContact O-N 2.91Å; Q29-E32 PolarHBondContact O-N 2.83Å; A30-E32 VanDerWaalsContact C-N 3.31Å; A30-E32 PolarHBondContact O-N 2.72Å; E32-I34 VanDerWaalsContact C-N 3.34Å; E32-I34 PolarHBondContact O-N 3.28Å; E32-R35 WeakPolarHBondContact O-CB 3.34Å; E32-R35 PolarHBondContact O-N 3.42Å; E32-R35 VanDerWaalsContact O-N 3.17Å; E32-R35 IonicContact OE2-NH1 3.05Å; E32-R35 PolarHBondContact OE2-NH1 2.86Å; E32-E36 PolarHBondContact O-N 3.33Å
33	A	82.8	Confident	79.5	Confident	16 Å²	16	76.4 Å²	76.4	13%	0.132	39%	0.388	C	S	.	.	H	α-helix	trans	-61.1	-39.6	173	0	0	0	0	0	112.5	Q29 A30 E36 L37 L83 F86	Q29-A33 PolarHBondContact O-N 3.29Å; A30-A33 PolarHBondContact O-N 3.06Å; A33-E36 PolarHBondContact O-N 3.03Å; A33-L37 WeakPolarHBondContact O-CB 3.19Å; A33-L37 PolarHBondContact O-N 3.4Å; A33-L83 HydrophobicContact CB-CD2 3.71Å; A33-L83 HydrophobicContact CB-CG 4.33Å; A33-F86 HydrophobicContact CB-CE2 4.36Å
34	I	84.9	Confident	81	Confident	90 Å²	90	75.6 Å²	75.6	46%	0.462	38%	0.384	S	S	.	.	H	α-helix	trans	-64.1	-42.4	174.3	-68.1	168.9	0	0	0	110.9	A30 L31 E32 E36 R38 L83	A30-I34 VanDerWaalsContact O-CG1 3.29Å; A30-I34 WeakPolarHBondContact O-CG1 3.39Å; A30-I34 PolarHBondContact O-N 3.35Å; L31-I34 PolarHBondContact O-N 3.1Å; E32-I34 VanDerWaalsContact C-N 3.34Å; E32-I34 PolarHBondContact O-N 3.28Å; I34-E36 VanDerWaalsContact C-N 3.33Å; I34-R38 WeakPolarHBondContact O-CB 3.44Å; I34-R38 PolarHBondContact O-N 2.82Å; I34-L83 HydrophobicContact CD1-CD2 4.43Å; I34-L83 HydrophobicContact CG1-CD1 4.14Å; I34-L83 HydrophobicContact CG1-CD2 3.51Å
35	R	84.8	Confident	82.1	Confident	160 Å²	160	77.7 Å²	77.7	60%	0.604	39%	0.388	S	S	*	.	H	α-helix	trans	-63.1	-42.6	177.4	-76.3	171.7	179.3	165.6	-0.7	111.3	L31 E32 R38 S39	L31-R35 WeakPolarHBondContact O-CG 3Å; L31-R35 PolarHBondContact O-N 3.03Å; E32-R35 WeakPolarHBondContact O-CB 3.34Å; E32-R35 PolarHBondContact O-N 3.42Å; E32-R35 VanDerWaalsContact O-N 3.17Å; E32-R35 IonicContact OE2-NH1 3.05Å; E32-R35 PolarHBondContact OE2-NH1 2.86Å; R35-R38 PolarHBondContact O-N 3.35Å; R35-S39 WeakPolarHBondContact O-CB 2.89Å; R35-S39 PolarHBondContact O-N 3.25Å
36	E	84.9	Confident	82.7	Confident	105 Å²	105	77.2 Å²	77.2	49%	0.491	38%	0.383	S	S	.	.	H	α-helix	trans	-63.9	-48.5	178.3	-155.5	-172.4	155.5	0	0	111	E32 A33 I34 R38 S39 N40 Q79	E32-E36 PolarHBondContact O-N 3.33Å; A33-E36 PolarHBondContact O-N 3.03Å; I34-E36 VanDerWaalsContact C-N 3.33Å; E36-R38 PolarHBondContact O-N 3.37Å; E36-S39 PolarHBondContact O-N 2.94Å; E36-S39 VanDerWaalsContact O-N 3.11Å; E36-S39 PolarHBondContact O-OG 3.34Å; E36-N40 PolarHBondContact O-N 2.97Å; E36-Q79 VanDerWaalsContact CG-NE2 3.26Å; E36-Q79 PolarHBondContact OE1-NE2 2.91Å
37	L	86.3	Confident	83.2	Confident	34 Å²	34	77.9 Å²	77.9	18%	0.178	38%	0.38	C	S	.	.	H	α-helix	trans	-57.2	-47.1	174.8	176.8	62.7	0	0	0	111.8	A33 S39 N40 A41 I76 Q79 I80 L83	A33-L37 WeakPolarHBondContact O-CB 3.19Å; A33-L37 PolarHBondContact O-N 3.4Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 3.4Å; L37-N40 PolarHBondContact O-N 3.2Å; L37-A41 WeakPolarHBondContact O-CB 3.18Å; L37-A41 PolarHBondContact O-N 3.43Å; L37-I76 HydrophobicContact CD1-CB 4.39Å; L37-I76 HydrophobicContact CD1-CG1 4.31Å; L37-I76 HydrophobicContact CD1-CG2 3.99Å; L37-Q79 HydrophobicContact CB-CB 4.26Å; L37-Q79 HydrophobicContact CD1-CB 3.95Å; L37-I80 HydrophobicContact CD1-CG1 4.22Å; L37-I80 HydrophobicContact CD2-CG1 3.99Å; L37-L83 HydrophobicContact CB-CD1 4.21Å; L37-L83 HydrophobicContact CD2-CD1 3.43Å; L37-L83 VanDerWaalsContact CD2-CD1 3.43Å; L37-L83 HydrophobicContact CG-CD1 4.44Å
38	R	86.4	Confident	83.4	Confident	191 Å²	191	78.9 Å²	78.9	72%	0.721	38%	0.383	S	S	*	.	H	α-helix	trans	-60.9	-41.5	177.3	-176.1	177.6	177.9	169.3	1.9	111.1	I34 R35 E36 T42	I34-R38 WeakPolarHBondContact O-CB 3.44Å; I34-R38 PolarHBondContact O-N 2.82Å; R35-R38 PolarHBondContact O-N 3.35Å; E36-R38 PolarHBondContact O-N 3.37Å; R38-T42 WeakPolarHBondContact O-CB 3.3Å; R38-T42 PolarHBondContact O-N 2.82Å; R38-T42 PolarHBondContact O-OG1 3.35Å
39	S	86.8	Confident	83.3	Confident	46 Å²	46	80.4 Å²	80.4	32%	0.322	39%	0.387	S	S	.	.	H	α-helix	trans	-65.3	-39.8	178.5	81.4	0	0	0	0	111.9	R35 E36 L37 T42 K43	R35-S39 WeakPolarHBondContact O-CB 2.89Å; R35-S39 PolarHBondContact O-N 3.25Å; E36-S39 PolarHBondContact O-N 2.94Å; E36-S39 VanDerWaalsContact O-N 3.11Å; E36-S39 PolarHBondContact O-OG 3.34Å; L37-S39 VanDerWaalsContact C-N 3.29Å; L37-S39 PolarHBondContact O-N 3.4Å; S39-T42 PolarHBondContact O-N 2.98Å; S39-K43 VanDerWaalsContact O-CG 3.25Å; S39-K43 WeakPolarHBondContact O-CG 3.5Å; S39-K43 PolarHBondContact O-N 2.99Å
40	N	86.6	Confident	82.7	Confident	19 Å²	19	81.8 Å²	81.8	10%	0.102	39%	0.394	C	S	.	.	H	α-helix	trans	-72.8	-42.5	178.8	-72.1	-14.6	0	0	0	111.8	E36 L37 T42 K43 M44 L72 I76 Q79	E36-N40 PolarHBondContact O-N 2.97Å; L37-N40 PolarHBondContact O-N 3.2Å; N40-T42 VanDerWaalsContact C-N 3.32Å; N40-T42 PolarHBondContact O-N 2.95Å; N40-K43 PolarHBondContact O-N 3.24Å; N40-M44 PolarHBondContact O-N 2.91Å; N40-L72 WeakPolarHBondContact O-CD2 3.35Å; N40-I76 HydrophobicContact CB-CG1 4.32Å; N40-Q79 VanDerWaalsContact ND2-CD 3.35Å; N40-Q79 PolarHBondContact ND2-NE2 2.96Å; N40-Q79 PolarHBondContact ND2-OE1 3.17Å
41	A	86.9	Confident	81.8	Confident	27 Å²	27	85.9 Å²	85.9	22%	0.223	42%	0.415	C	S	.	.	H	α-helix	trans	-60.4	-42.6	172.6	0	0	0	0	0	111.5	L37 M44 F45	L37-A41 WeakPolarHBondContact O-CB 3.18Å; L37-A41 PolarHBondContact O-N 3.43Å; A41-M44 PolarHBondContact O-N 3.43Å; A41-F45 WeakPolarHBondContact O-CD2 3.42Å; A41-F45 PolarHBondContact O-N 3.01Å
42	T	85.9	Confident	80.5	Confident	64 Å²	64	90.4 Å²	90.4	39%	0.393	43%	0.433	S	S	.	.	H	α-helix	trans	-62.2	-46.8	176.6	-51.2	0	0	0	0	110.8	R38 S39 N40 M44 F45 D46	R38-T42 WeakPolarHBondContact O-CB 3.3Å; R38-T42 PolarHBondContact O-N 2.82Å; R38-T42 PolarHBondContact O-OG1 3.35Å; S39-T42 PolarHBondContact O-N 2.98Å; N40-T42 VanDerWaalsContact C-N 3.32Å; N40-T42 PolarHBondContact O-N 2.95Å; T42-M44 VanDerWaalsContact C-N 3.3Å; T42-M44 PolarHBondContact O-N 3.46Å; T42-F45 PolarHBondContact O-N 3.17Å; T42-D46 WeakPolarHBondContact O-CB 3.39Å; T42-D46 PolarHBondContact O-N 2.93Å
43	K	85.5	Confident	79	Confident	108 Å²	108	88.8 Å²	88.8	47%	0.47	45%	0.445	S	S	.	.	H	α-helix	trans	-58.7	-39.5	174.8	-72.4	167.8	-171.8	168.1	0	112.6	S39 N40 D46 L47 L72	S39-K43 VanDerWaalsContact O-CG 3.25Å; S39-K43 WeakPolarHBondContact O-CG 3.5Å; S39-K43 PolarHBondContact O-N 2.99Å; N40-K43 PolarHBondContact O-N 3.24Å; K43-D46 PolarHBondContact O-N 2.92Å; K43-L47 WeakPolarHBondContact O-CB 3.48Å; K43-L47 VanDerWaalsContact O-CG 3.29Å; K43-L47 WeakPolarHBondContact O-CG 3.25Å; K43-L47 PolarHBondContact O-N 3.45Å; K43-L72 HydrophobicContact CB-CD2 3.69Å
44	M	82.5	Confident	77.1	Confident	53 Å²	53	90.8 Å²	90.8	26%	0.261	47%	0.467	S	S	.	.	H	α-helix	trans	-63.8	-44.1	176.6	-173.1	-179.7	177.1	0	0	111.2	N40 A41 T42 L47 L48 L72 I76	N40-M44 PolarHBondContact O-N 2.91Å; A41-M44 PolarHBondContact O-N 3.43Å; T42-M44 VanDerWaalsContact C-N 3.3Å; T42-M44 PolarHBondContact O-N 3.46Å; M44-L47 PolarHBondContact O-N 2.89Å; M44-L48 HydrophobicContact CG-CD1 4.42Å; M44-L48 WeakPolarHBondContact O-CG 3.06Å; M44-L48 PolarHBondContact O-N 3.28Å; M44-L72 HydrophobicContact CB-CD2 3.89Å; M44-I76 HydrophobicContact CB-CD1 4.19Å; M44-I76 HydrophobicContact SD-CD1 3.54Å; M44-I76 VanDerWaalsContact SD-CD1 3.54Å
45	F	84.2	Confident	75	Confident	138 Å²	138	95.6 Å²	95.6	61%	0.605	49%	0.485	S	S	*	.	H	α-helix	trans	-68.1	-37.5	176	-74	-62.9	0	0	0	112.8	A41 T42 L47 L48 Q49	A41-F45 WeakPolarHBondContact O-CD2 3.42Å; A41-F45 PolarHBondContact O-N 3.01Å; T42-F45 PolarHBondContact O-N 3.17Å; F45-L47 VanDerWaalsContact C-N 3.34Å; F45-L48 HydrophobicContact CD1-CD1 4.45Å; F45-L48 PolarHBondContact O-N 3.46Å; F45-Q49 WeakPolarHBondContact O-CB 3.33Å; F45-Q49 PolarHBondContact O-N 3.45Å
46	D	83	Confident	73.4	Confident	75 Å²	75	95.1 Å²	95.1	40%	0.401	49%	0.494	S	S	.	.	H	α-helix	trans	-62.9	-41.7	175.6	-69.2	-23.2	0	0	0	111	T42 K43 Q49 Q50	T42-D46 WeakPolarHBondContact O-CB 3.39Å; T42-D46 PolarHBondContact O-N 2.93Å; K43-D46 PolarHBondContact O-N 2.92Å; D46-Q49 PolarHBondContact O-N 2.93Å; D46-Q50 WeakPolarHBondContact O-CG 3.25Å; D46-Q50 PolarHBondContact O-N 2.87Å
47	L	81.3	Confident	71.5	Confident	40 Å²	40	97 Å²	97	21%	0.209	51%	0.508	C	S	.	.	H	α-helix	trans	-64.2	-44.2	174.4	-72.7	172	0	0	0	111.9	K43 M44 F45 Q49 Q50 D51 A68	K43-L47 WeakPolarHBondContact O-CB 3.48Å; K43-L47 VanDerWaalsContact O-CG 3.29Å; K43-L47 WeakPolarHBondContact O-CG 3.25Å; K43-L47 PolarHBondContact O-N 3.45Å; M44-L47 PolarHBondContact O-N 2.89Å; F45-L47 VanDerWaalsContact C-N 3.34Å; L47-Q49 VanDerWaalsContact C-N 3.29Å; L47-Q49 PolarHBondContact O-N 3.31Å; L47-Q50 PolarHBondContact O-N 3.19Å; L47-D51 PolarHBondContact O-N 2.98Å; L47-D51 VanDerWaalsContact O-N 3.1Å; L47-A68 HydrophobicContact CD1-CB 4.47Å
48	L	78	Confident	69.9	Low	68 Å²	68	97.5 Å²	97.5	36%	0.356	52%	0.521	S	S	.	.	H	α-helix	trans	-64.7	-32.5	175.9	-72.6	171	0	0	0	112.7	M44 F45 M69	M44-L48 HydrophobicContact CG-CD1 4.42Å; M44-L48 WeakPolarHBondContact O-CG 3.06Å; M44-L48 PolarHBondContact O-N 3.28Å; F45-L48 HydrophobicContact CD1-CD1 4.45Å; F45-L48 PolarHBondContact O-N 3.46Å; L48-M69 HydrophobicContact CD2-SD 4.38Å
49	Q	76	Confident	68.4	Low	145 Å²	145	97.2 Å²	97.2	68%	0.678	53%	0.527	S	S	*	.	H	α-helix	trans	-71.6	-36.9	176	-173.1	177.2	4	0	0	111.7	F45 D46 L47	F45-Q49 WeakPolarHBondContact O-CB 3.33Å; F45-Q49 PolarHBondContact O-N 3.45Å; D46-Q49 PolarHBondContact O-N 2.93Å; L47-Q49 VanDerWaalsContact C-N 3.29Å; L47-Q49 PolarHBondContact O-N 3.31Å
50	Q	66.3	Low	67	Low	135 Å²	135	102.9 Å²	102.9	63%	0.631	55%	0.549	S	S	*	.	H	α-helix	trans	-66.2	-38.3	175.3	-74.4	177.3	7.8	0	0	111.9	D46 L47 Q52 G53	D46-Q50 WeakPolarHBondContact O-CG 3.25Å; D46-Q50 PolarHBondContact O-N 2.87Å; L47-Q50 PolarHBondContact O-N 3.19Å; Q50-Q52 VanDerWaalsContact C-N 3.31Å; Q50-Q52 PolarHBondContact O-N 2.67Å; Q50-G53 PolarHBondContact O-N 3.3Å
51	D	60.6	Low	65.7	Low	95 Å²	95	107.3 Å²	107.3	51%	0.508	57%	0.572	S	S	.	*	H	α-helix	trans	-64.1	-31	179.9	-166.7	49.5	0	0	0	113.3	L47 G53	L47-D51 PolarHBondContact O-N 2.98Å; L47-D51 VanDerWaalsContact O-N 3.1Å; D51-G53 PolarHBondContact O-N 2.64Å
52	Q	54.4	Low	64.7	Low	184 Å²	184	110.4 Å²	110.4	86%	0.86	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	-13.7	174.9	-69	-163.8	33.6	0	0	114	Q50	Q50-Q52 VanDerWaalsContact C-N 3.31Å; Q50-Q52 PolarHBondContact O-N 2.67Å
53	G	50	Low	64	Low	71 Å²	71	110.4 Å²	110.4	73%	0.732	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.9	-11.3	-172.2	0	0	0	0	0	116.1	Q50 D51	Q50-G53 PolarHBondContact O-N 3.3Å; D51-G53 PolarHBondContact O-N 2.64Å
54	G	44.4	Very low	63.6	Low	58 Å²	58	108 Å²	108	60%	0.598	59%	0.588	S	S	*	*			trans	-123.4	95.8	-167.2	0	0	0	0	0	113.4
55	K	40.2	Very low	63.3	Low	192 Å²	192	107.6 Å²	107.6	84%	0.835	59%	0.587	S	S	*	*			trans	-64.5	137.1	154.6	-79.3	171.1	170.9	170.3	0	108.7
56	D	50.6	Low	63	Low	149 Å²	149	103.2 Å²	103.2	80%	0.797	58%	0.576	S	S	*	*	S	Bend	trans	55.5	79.7	158.6	-58.9	-32.6	0	0	0	116.5
57	D	45.3	Very low	63	Low	146 Å²	146	104.4 Å²	104.4	78%	0.781	58%	0.582	S	S	*	*			trans	-152.8	117.7	152.7	-82.6	-43.1	0	0	0	111.1
58	G	52.6	Low	63	Low	44 Å²	44	104 Å²	104	45%	0.454	59%	0.585	S	S	.	*			trans	64.7	108.1	158.2	0	0	0	0	0	120	E60 D61 N62	G58-E60 PolarHBondContact O-N 2.92Å; G58-D61 PolarHBondContact O-N 3.49Å; G58-D61 VanDerWaalsContact O-N 3.15Å; G58-N62 PolarHBondContact O-N 2.89Å; G58-N62 VanDerWaalsContact O-N 3.15Å
59	E	56.2	Low	63.2	Low	184 Å²	184	104.3 Å²	104.3	86%	0.86	59%	0.586	S	S	*	*	H	α-helix	trans	-56.7	-30.2	167.6	-68.4	-177.7	166.4	0	0	113.3	S63	E59-S63 PolarHBondContact O-N 2.73Å; E59-S63 VanDerWaalsContact O-N 3.14Å
60	E	55.7	Low	63.5	Low	165 Å²	165	99.9 Å²	99.9	77%	0.771	57%	0.571	S	S	*	*	H	α-helix	trans	-69.1	-41	176.2	-71.4	-171.9	162.5	0	0	112.2	G58 S63 A64	G58-E60 PolarHBondContact O-N 2.92Å; E60-S63 PolarHBondContact O-N 3.11Å; E60-S63 PolarHBondContact O-OG 3.07Å; E60-A64 PolarHBondContact O-N 2.9Å
61	D	60.9	Low	64.3	Low	112 Å²	112	98.7 Å²	98.7	60%	0.599	57%	0.569	S	S	*	*	H	α-helix	trans	-67.9	-37.8	177.2	-77.1	-24	0	0	0	111.2	G58 S63 A64 L65	G58-D61 PolarHBondContact O-N 3.49Å; G58-D61 VanDerWaalsContact O-N 3.15Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 2.9Å; D61-A64 PolarHBondContact O-N 2.94Å; D61-L65 WeakPolarHBondContact O-CB 3.36Å; D61-L65 PolarHBondContact O-N 2.82Å
62	N	64.9	Low	65.5	Low	93 Å²	93	95.4 Å²	95.4	50%	0.497	55%	0.551	S	S	.	*	H	α-helix	trans	-61.6	-38.1	171.8	-85.9	-17.8	0	0	0	112.6	G58 A66	G58-N62 PolarHBondContact O-N 2.89Å; G58-N62 VanDerWaalsContact O-N 3.15Å; N62-A66 WeakPolarHBondContact O-CB 3.26Å; N62-A66 PolarHBondContact O-N 3.26Å
63	S	72.5	Confident	66.8	Low	64 Å²	64	88.7 Å²	88.7	45%	0.448	53%	0.527	S	S	.	.	H	α-helix	trans	-69.1	-39.5	176.9	81	0	0	0	0	112.2	E59 E60 D61 N67	E59-S63 PolarHBondContact O-N 2.73Å; E59-S63 VanDerWaalsContact O-N 3.14Å; E60-S63 PolarHBondContact O-N 3.11Å; E60-S63 PolarHBondContact O-OG 3.07Å; D61-S63 VanDerWaalsContact C-N 3.31Å; D61-S63 PolarHBondContact O-N 2.9Å; S63-N67 VanDerWaalsContact O-CB 3.31Å; S63-N67 WeakPolarHBondContact O-CB 3.25Å; S63-N67 PolarHBondContact O-N 3.39Å; S63-N67 PolarHBondContact O-ND2 3.41Å; S63-N67 VanDerWaalsContact O-ND2 3.1Å
64	A	76.7	Confident	68.5	Low	56 Å²	56	91.5 Å²	91.5	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-68.6	-40.9	176.6	0	0	0	0	0	111.3	E60 D61 N67 A68	E60-A64 PolarHBondContact O-N 2.9Å; D61-A64 PolarHBondContact O-N 2.94Å; A64-N67 PolarHBondContact O-N 3.5Å; A64-A68 WeakPolarHBondContact O-CB 3.19Å; A64-A68 PolarHBondContact O-N 3.41Å
65	L	75.3	Confident	70.4	Confident	45 Å²	45	90.3 Å²	90.3	24%	0.236	50%	0.503	C	S	.	.	H	α-helix	trans	-66.2	-44.5	174.9	-170.8	152.7	0	0	0	111.1	D61 N67 A68 M69	D61-L65 WeakPolarHBondContact O-CB 3.36Å; D61-L65 PolarHBondContact O-N 2.82Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.15Å; L65-A68 PolarHBondContact O-N 3.08Å; L65-M69 VanDerWaalsContact O-CB 3.28Å; L65-M69 WeakPolarHBondContact O-CB 3.34Å; L65-M69 PolarHBondContact O-N 3.02Å
66	A	78.8	Confident	72.5	Confident	46 Å²	46	82.4 Å²	82.4	38%	0.38	47%	0.47	S	S	.	.	H	α-helix	trans	-62	-40.2	175.4	0	0	0	0	0	111.7	N62 S70	N62-A66 WeakPolarHBondContact O-CB 3.26Å; N62-A66 PolarHBondContact O-N 3.26Å; A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.44Å; A66-S70 PolarHBondContact O-N 3.4Å
67	N	82.7	Confident	74.2	Confident	100 Å²	100	78.7 Å²	78.7	54%	0.535	45%	0.454	S	S	.	.	H	α-helix	trans	-66.1	-43.2	174.1	-74.6	-28.1	0	0	0	111.7	S63 A64 L65 S70 N71	S63-N67 VanDerWaalsContact O-CB 3.31Å; S63-N67 WeakPolarHBondContact O-CB 3.25Å; S63-N67 PolarHBondContact O-N 3.39Å; S63-N67 PolarHBondContact O-ND2 3.41Å; S63-N67 VanDerWaalsContact O-ND2 3.1Å; A64-N67 PolarHBondContact O-N 3.5Å; L65-N67 VanDerWaalsContact C-N 3.32Å; L65-N67 PolarHBondContact O-N 3.15Å; N67-S70 PolarHBondContact O-N 2.85Å; N67-N71 WeakPolarHBondContact O-CB 3.41Å; N67-N71 PolarHBondContact O-N 2.82Å; N67-N71 PolarHBondContact O-ND2 3.44Å
68	A	81.2	Confident	76.1	Confident	33 Å²	33	76.3 Å²	76.3	27%	0.273	44%	0.441	S	S	.	.	H	α-helix	trans	-62.2	-46.7	175.3	0	0	0	0	0	111.2	L47 A64 L65 S70 N71 L72	L47-A68 HydrophobicContact CD1-CB 4.47Å; A64-A68 WeakPolarHBondContact O-CB 3.19Å; A64-A68 PolarHBondContact O-N 3.41Å; L65-A68 PolarHBondContact O-N 3.08Å; A68-S70 PolarHBondContact O-N 3.43Å; A68-N71 PolarHBondContact O-N 3.39Å; A68-L72 WeakPolarHBondContact O-CD1 3.45Å; A68-L72 PolarHBondContact O-N 3.42Å
69	M	80.9	Confident	77.6	Confident	74 Å²	74	75.1 Å²	75.1	37%	0.365	42%	0.424	S	S	.	.	H	α-helix	trans	-62.5	-42.8	177.1	-174.1	174.4	66.9	0	0	111.6	L48 L65 L72 A73	L48-M69 HydrophobicContact CD2-SD 4.38Å; L65-M69 VanDerWaalsContact O-CB 3.28Å; L65-M69 WeakPolarHBondContact O-CB 3.34Å; L65-M69 PolarHBondContact O-N 3.02Å; M69-L72 PolarHBondContact O-N 3.44Å; M69-A73 WeakPolarHBondContact O-CB 3.32Å; M69-A73 PolarHBondContact O-N 3.36Å
70	S	82.4	Confident	79	Confident	52 Å²	52	69.9 Å²	69.9	36%	0.364	40%	0.401	S	S	.	.	H	α-helix	trans	-60.2	-47.4	174	-177	0	0	0	0	110.8	A66 N67 A68 L72 A73 H74	A66-S70 VanDerWaalsContact O-CB 3.24Å; A66-S70 WeakPolarHBondContact O-CB 3.44Å; A66-S70 PolarHBondContact O-N 3.4Å; N67-S70 PolarHBondContact O-N 2.85Å; A68-S70 PolarHBondContact O-N 3.43Å; S70-L72 PolarHBondContact O-N 2.96Å; S70-A73 PolarHBondContact O-N 3.34Å; S70-H74 PolarHBondContact O-N 2.86Å; S70-H74 PolarHBondContact O-ND1 3.12Å; S70-H74 PolarHBondContact OG-CE1 2.9Å; S70-H74 PolarHBondContact OG-ND1 3.4Å
71	N	84.6	Confident	80.5	Confident	110 Å²	110	66.5 Å²	66.5	59%	0.588	39%	0.385	S	S	*	.	H	α-helix	trans	-60.8	-43	178	-69.5	-24.1	0	0	0	112.1	N67 A68 H74 S75	N67-N71 WeakPolarHBondContact O-CB 3.41Å; N67-N71 PolarHBondContact O-N 2.82Å; N67-N71 PolarHBondContact O-ND2 3.44Å; A68-N71 PolarHBondContact O-N 3.39Å; N71-H74 PolarHBondContact O-N 2.99Å; N71-S75 WeakPolarHBondContact O-CB 3.33Å; N71-S75 PolarHBondContact O-N 3.17Å
72	L	84.3	Confident	81.6	Confident	25 Å²	25	63.8 Å²	63.8	13%	0.131	37%	0.373	C	S	.	.	H	α-helix	trans	-65.1	-42.3	175.7	-87.7	81.5	0	0	0	111.6	N40 K43 M44 A68 M69 S70 H74 S75 I76	N40-L72 WeakPolarHBondContact O-CD2 3.35Å; K43-L72 HydrophobicContact CB-CD2 3.69Å; M44-L72 HydrophobicContact CB-CD2 3.89Å; A68-L72 WeakPolarHBondContact O-CD1 3.45Å; A68-L72 PolarHBondContact O-N 3.42Å; M69-L72 PolarHBondContact O-N 3.44Å; S70-L72 PolarHBondContact O-N 2.96Å; L72-H74 VanDerWaalsContact C-N 3.26Å; L72-H74 PolarHBondContact O-N 3.12Å; L72-S75 PolarHBondContact O-N 3.35Å; L72-S75 VanDerWaalsContact O-N 3.17Å; L72-S75 PolarHBondContact O-OG 2.97Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 3.29Å
73	A	83.2	Confident	82.3	Confident	44 Å²	44	60.3 Å²	60.3	36%	0.364	35%	0.354	S	S	.	.	H	α-helix	trans	-64.4	-27.4	178.7	0	0	0	0	0	113.1	M69 S70 P77	M69-A73 WeakPolarHBondContact O-CB 3.32Å; M69-A73 PolarHBondContact O-N 3.36Å; S70-A73 PolarHBondContact O-N 3.34Å; A73-P77 WeakPolarHBondContact O-CD 3.05Å; A73-P77 WeakPolarHBondContact O-CG 3.46Å
74	H	84.9	Confident	82.8	Confident	129 Å²	129	62.8 Å²	62.8	60%	0.597	36%	0.359	S	S	*	.	H	α-helix	trans	-83.9	-36.4	171	-67.8	84.1	0	0	0	112	S70 N71 L72 P77	S70-H74 PolarHBondContact O-N 2.86Å; S70-H74 PolarHBondContact O-ND1 3.12Å; S70-H74 PolarHBondContact OG-CE1 2.9Å; S70-H74 PolarHBondContact OG-ND1 3.4Å; N71-H74 PolarHBondContact O-N 2.99Å; L72-H74 VanDerWaalsContact C-N 3.26Å; L72-H74 PolarHBondContact O-N 3.12Å; H74-P77 WeakPolarHBondContact O-CD 3.31Å
75	S	84.3	Confident	83.1	Confident	33 Å²	33	65.7 Å²	65.7	23%	0.231	36%	0.361	C	S	.	.	H	α-helix	trans	-70.4	-32.9	-179.5	76	0	0	0	0	114.2	N71 L72 D78 Q79	N71-S75 WeakPolarHBondContact O-CB 3.33Å; N71-S75 PolarHBondContact O-N 3.17Å; L72-S75 PolarHBondContact O-N 3.35Å; L72-S75 VanDerWaalsContact O-N 3.17Å; L72-S75 PolarHBondContact O-OG 2.97Å; S75-D78 PolarHBondContact O-N 2.73Å; S75-Q79 WeakPolarHBondContact O-CB 3.32Å; S75-Q79 VanDerWaalsContact O-CG 3.25Å; S75-Q79 WeakPolarHBondContact O-CG 3.29Å; S75-Q79 PolarHBondContact O-N 2.96Å
76	I	84.5	Confident	83.2	Confident	26 Å²	26	66.4 Å²	66.4	13%	0.133	36%	0.362	C	S	.	.	H	α-helix	trans	-67	-49	-176.2	-74.6	165.3	0	0	0	111.1	L37 N40 M44 L72 D78 Q79 I80	L37-I76 HydrophobicContact CD1-CB 4.39Å; L37-I76 HydrophobicContact CD1-CG1 4.31Å; L37-I76 HydrophobicContact CD1-CG2 3.99Å; N40-I76 HydrophobicContact CB-CG1 4.32Å; M44-I76 HydrophobicContact CB-CD1 4.19Å; M44-I76 HydrophobicContact SD-CD1 3.54Å; M44-I76 VanDerWaalsContact SD-CD1 3.54Å; L72-I76 WeakPolarHBondContact O-CB 3.45Å; L72-I76 VanDerWaalsContact O-CG1 3.3Å; L72-I76 WeakPolarHBondContact O-CG1 3.38Å; L72-I76 PolarHBondContact O-N 3.29Å; I76-D78 VanDerWaalsContact C-N 3.34Å; I76-D78 PolarHBondContact O-N 3.44Å; I76-Q79 PolarHBondContact O-N 3.2Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.47Å; I76-I80 PolarHBondContact O-N 3.44Å
77	P	86.3	Confident	82.9	Confident	71 Å²	71	69.4 Å²	69.4	46%	0.461	37%	0.37	S	S	.	.	H	α-helix	trans	-56.7	-44.3	172.9	-25.6	33.4	0	0	0	113.1	A73 H74 Q79 I80 E81	A73-P77 WeakPolarHBondContact O-CD 3.05Å; A73-P77 WeakPolarHBondContact O-CG 3.46Å; H74-P77 WeakPolarHBondContact O-CD 3.31Å; P77-Q79 VanDerWaalsContact C-N 3.34Å; P77-Q79 PolarHBondContact O-N 3.37Å; P77-I80 PolarHBondContact O-N 3.05Å; P77-E81 PolarHBondContact O-N 3.46Å
78	D	85.9	Confident	82.6	Confident	97 Å²	97	69 Å²	69	52%	0.519	37%	0.372	S	S	.	.	H	α-helix	trans	-62.4	-42.2	178.3	-71.4	-7.1	0	0	0	111.3	S75 I76 E81 T82	S75-D78 PolarHBondContact O-N 2.73Å; I76-D78 VanDerWaalsContact C-N 3.34Å; I76-D78 PolarHBondContact O-N 3.44Å; D78-E81 PolarHBondContact O-N 2.96Å; D78-T82 VanDerWaalsContact O-CG2 3.25Å; D78-T82 WeakPolarHBondContact O-CG2 3.29Å; D78-T82 PolarHBondContact O-N 2.93Å
79	Q	84.7	Confident	82	Confident	18 Å²	18	71.5 Å²	71.5	8%	0.084	39%	0.386	C	S	.	.	H	α-helix	trans	-65.1	-38.2	175.1	-76.2	176.8	-25.3	0	0	112.1	E36 L37 N40 S75 I76 P77 T82 L83	E36-Q79 VanDerWaalsContact CG-NE2 3.26Å; E36-Q79 PolarHBondContact OE1-NE2 2.91Å; L37-Q79 HydrophobicContact CB-CB 4.26Å; L37-Q79 HydrophobicContact CD1-CB 3.95Å; N40-Q79 VanDerWaalsContact ND2-CD 3.35Å; N40-Q79 PolarHBondContact ND2-NE2 2.96Å; N40-Q79 PolarHBondContact ND2-OE1 3.17Å; S75-Q79 WeakPolarHBondContact O-CB 3.32Å; S75-Q79 VanDerWaalsContact O-CG 3.25Å; S75-Q79 WeakPolarHBondContact O-CG 3.29Å; S75-Q79 PolarHBondContact O-N 2.96Å; I76-Q79 PolarHBondContact O-N 3.2Å; P77-Q79 VanDerWaalsContact C-N 3.34Å; P77-Q79 PolarHBondContact O-N 3.37Å; Q79-T82 PolarHBondContact O-N 2.98Å; Q79-T82 PolarHBondContact O-OG1 3.19Å; Q79-L83 WeakPolarHBondContact O-CG 3.3Å; Q79-L83 PolarHBondContact O-N 3.39Å
80	I	85.2	Confident	81.3	Confident	74 Å²	74	71.4 Å²	71.4	38%	0.379	38%	0.384	S	S	.	.	H	α-helix	trans	-63.7	-45	173.4	-68.3	164.8	0	0	0	110.3	L37 I76 P77 T82 L83 E84	L37-I80 HydrophobicContact CD1-CG1 4.22Å; L37-I80 HydrophobicContact CD2-CG1 3.99Å; I76-I80 HydrophobicContact CG2-CD1 3.8Å; I76-I80 VanDerWaalsContact O-CG1 3.26Å; I76-I80 WeakPolarHBondContact O-CG1 3.47Å; I76-I80 PolarHBondContact O-N 3.44Å; P77-I80 PolarHBondContact O-N 3.05Å; I80-T82 VanDerWaalsContact C-N 3.33Å; I80-T82 PolarHBondContact O-N 3.47Å; I80-L83 PolarHBondContact O-N 3.02Å; I80-L83 VanDerWaalsContact O-N 3.15Å; I80-E84 HydrophobicContact CG2-CG 4.44Å; I80-E84 WeakPolarHBondContact O-CG 3.01Å; I80-E84 PolarHBondContact O-N 2.99Å
81	E	87.2	Confident	80.3	Confident	94 Å²	94	72.9 Å²	72.9	44%	0.439	40%	0.399	S	S	.	.	H	α-helix	trans	-62.7	-40.1	178.2	-163.1	-164.6	144.8	0	0	111.6	P77 D78 L83 E84 K85	P77-E81 PolarHBondContact O-N 3.46Å; D78-E81 PolarHBondContact O-N 2.96Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 2.93Å; E81-E84 PolarHBondContact O-N 3.11Å; E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 2.87Å; E81-K85 VanDerWaalsContact O-N 3.08Å; E81-K85 WeakPolarHBondContact OE1-CE 3.45Å; E81-K85 IonicContact OE1-NZ 2.67Å; E81-K85 PolarHBondContact OE1-NZ 3.03Å
82	T	83	Confident	79.1	Confident	55 Å²	55	78.2 Å²	78.2	34%	0.337	41%	0.411	S	S	.	.	H	α-helix	trans	-64.2	-39	174.6	65.6	0	0	0	0	112.2	D78 Q79 I80 K85 F86	D78-T82 VanDerWaalsContact O-CG2 3.25Å; D78-T82 WeakPolarHBondContact O-CG2 3.29Å; D78-T82 PolarHBondContact O-N 2.93Å; Q79-T82 PolarHBondContact O-N 2.98Å; Q79-T82 PolarHBondContact O-OG1 3.19Å; I80-T82 VanDerWaalsContact C-N 3.33Å; I80-T82 PolarHBondContact O-N 3.47Å; T82-K85 WeakPolarHBondContact O-CB 3.34Å; T82-K85 PolarHBondContact O-N 3.1Å; T82-F86 WeakPolarHBondContact O-CD2 3.08Å; T82-F86 PolarHBondContact O-N 3.47Å; T82-F86 VanDerWaalsContact O-N 3.12Å
83	L	80.7	Confident	77.6	Confident	20 Å²	20	81.7 Å²	81.7	11%	0.105	43%	0.427	C	S	.	.	H	α-helix	trans	-67.6	-40.2	175.1	-73.6	173	0	0	0	112.7	A33 I34 L37 Q79 I80 E81 K85 F86 I87	A33-L83 HydrophobicContact CB-CD2 3.71Å; A33-L83 HydrophobicContact CB-CG 4.33Å; I34-L83 HydrophobicContact CD1-CD2 4.43Å; I34-L83 HydrophobicContact CG1-CD1 4.14Å; I34-L83 HydrophobicContact CG1-CD2 3.51Å; L37-L83 HydrophobicContact CB-CD1 4.21Å; L37-L83 HydrophobicContact CD2-CD1 3.43Å; L37-L83 VanDerWaalsContact CD2-CD1 3.43Å; L37-L83 HydrophobicContact CG-CD1 4.44Å; Q79-L83 WeakPolarHBondContact O-CG 3.3Å; Q79-L83 PolarHBondContact O-N 3.39Å; I80-L83 PolarHBondContact O-N 3.02Å; I80-L83 VanDerWaalsContact O-N 3.15Å; E81-L83 VanDerWaalsContact C-N 3.34Å; E81-L83 PolarHBondContact O-N 2.93Å; L83-K85 VanDerWaalsContact C-N 3.28Å; L83-K85 PolarHBondContact O-N 3.34Å; L83-F86 PolarHBondContact O-N 3.04Å; L83-F86 VanDerWaalsContact O-N 3.12Å; L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.25Å; L83-I87 PolarHBondContact O-N 3.4Å
84	E	82.7	Confident	75.9	Confident	117 Å²	117	82 Å²	82	55%	0.547	43%	0.434	S	S	.	.	H	α-helix	trans	-59.7	-39.6	173.9	-74.5	-174.9	162.1	0	0	111.5	I80 E81 I87 T88	I80-E84 HydrophobicContact CG2-CG 4.44Å; I80-E84 WeakPolarHBondContact O-CG 3.01Å; I80-E84 PolarHBondContact O-N 2.99Å; E81-E84 PolarHBondContact O-N 3.11Å; E84-I87 PolarHBondContact O-N 3.41Å; E84-T88 PolarHBondContact O-N 3.41Å; E84-T88 PolarHBondContact O-OG1 3.19Å
85	K	82.4	Confident	74.3	Confident	117 Å²	117	81.8 Å²	81.8	51%	0.509	45%	0.447	S	S	.	.	H	α-helix	trans	-61	-43.9	172.8	-70.9	168	-174	163.2	0	111.7	E81 T82 L83 T88 C89	E81-K85 WeakPolarHBondContact O-CG 3.41Å; E81-K85 PolarHBondContact O-N 2.87Å; E81-K85 VanDerWaalsContact O-N 3.08Å; E81-K85 WeakPolarHBondContact OE1-CE 3.45Å; E81-K85 IonicContact OE1-NZ 2.67Å; E81-K85 PolarHBondContact OE1-NZ 3.03Å; T82-K85 WeakPolarHBondContact O-CB 3.34Å; T82-K85 PolarHBondContact O-N 3.1Å; L83-K85 VanDerWaalsContact C-N 3.28Å; L83-K85 PolarHBondContact O-N 3.34Å; K85-T88 PolarHBondContact O-N 3.02Å; K85-C89 PolarHBondContact O-N 3.18Å; K85-C89 PolarHBondContact O-SG 3.48Å
86	F	77.5	Confident	72.6	Confident	59 Å²	59	86.1 Å²	86.1	26%	0.259	47%	0.472	S	S	.	.	H	α-helix	trans	-64.1	-43.6	175.5	-72.8	-62.4	0	0	0	112.4	Q29 A30 A33 T82 L83 T88 C89 F90	Q29-F86 HydrophobicContact CB-CE1 4.48Å; Q29-F86 HydrophobicContact CB-CZ 4.36Å; A30-F86 HydrophobicContact CB-CB 4.2Å; A30-F86 HydrophobicContact CB-CD1 4.4Å; A30-F86 HydrophobicContact CB-CD2 4.43Å; A30-F86 HydrophobicContact CB-CG 4.11Å; A33-F86 HydrophobicContact CB-CE2 4.36Å; T82-F86 WeakPolarHBondContact O-CD2 3.08Å; T82-F86 PolarHBondContact O-N 3.47Å; T82-F86 VanDerWaalsContact O-N 3.12Å; L83-F86 PolarHBondContact O-N 3.04Å; L83-F86 VanDerWaalsContact O-N 3.12Å; F86-T88 VanDerWaalsContact C-N 3.31Å; F86-T88 PolarHBondContact O-N 3.2Å; F86-C89 WeakPolarHBondContact O-CB 3.34Å; F86-C89 PolarHBondContact O-N 3.11Å; F86-C89 VanDerWaalsContact O-N 3.11Å; F86-F90 HydrophobicContact CB-CD2 4.47Å; F86-F90 HydrophobicContact CB-CE2 4.09Å; F86-F90 WeakPolarHBondContact O-CD2 3.5Å; F86-F90 PolarHBondContact O-N 3.02Å
87	I	73.6	Confident	70.9	Confident	109 Å²	109	92.7 Å²	92.7	56%	0.559	50%	0.5	S	S	*	.	H	α-helix	trans	-60.3	-43	177.9	-68.1	164.7	0	0	0	110.7	L83 E84 C89 F90 A91	L83-I87 VanDerWaalsContact O-CG1 3.31Å; L83-I87 WeakPolarHBondContact O-CG1 3.25Å; L83-I87 PolarHBondContact O-N 3.4Å; E84-I87 PolarHBondContact O-N 3.41Å; I87-C89 PolarHBondContact O-N 3.28Å; I87-F90 PolarHBondContact O-N 3.37Å; I87-F90 VanDerWaalsContact O-N 3.1Å; I87-A91 PolarHBondContact O-N 3.2Å
88	T	74.6	Confident	69.2	Low	93 Å²	93	95.8 Å²	95.8	57%	0.571	51%	0.507	S	S	*	.	H	α-helix	trans	-62	-35	177.7	-45.7	0	0	0	0	111.5	E84 K85 F86	E84-T88 PolarHBondContact O-N 3.41Å; E84-T88 PolarHBondContact O-OG1 3.19Å; K85-T88 PolarHBondContact O-N 3.02Å; F86-T88 VanDerWaalsContact C-N 3.31Å; F86-T88 PolarHBondContact O-N 3.2Å
89	C	70.5	Confident	67.7	Low	84 Å²	84	98.5 Å²	98.5	57%	0.568	52%	0.516	S	S	*	.	H	α-helix	trans	-67.6	-41.1	172.5	-71.5	0	0	0	0	112.6	K85 F86 I87	K85-C89 PolarHBondContact O-N 3.18Å; K85-C89 PolarHBondContact O-SG 3.48Å; F86-C89 WeakPolarHBondContact O-CB 3.34Å; F86-C89 PolarHBondContact O-N 3.11Å; F86-C89 VanDerWaalsContact O-N 3.11Å; I87-C89 PolarHBondContact O-N 3.28Å
90	F	65.1	Low	66.3	Low	73 Å²	73	105.3 Å²	105.3	32%	0.32	55%	0.548	S	S	.	.	H	α-helix	trans	-71.3	-36.3	178.3	-68.7	-60.3	0	0	0	113.2	T27 A30 F86 I87 R92 Q93	T27-F90 HydrophobicContact CG2-CE1 3.58Å; T27-F90 HydrophobicContact CG2-CZ 3.88Å; A30-F90 HydrophobicContact CB-CE2 3.71Å; A30-F90 HydrophobicContact CB-CZ 4.05Å; F86-F90 HydrophobicContact CB-CD2 4.47Å; F86-F90 HydrophobicContact CB-CE2 4.09Å; F86-F90 WeakPolarHBondContact O-CD2 3.5Å; F86-F90 PolarHBondContact O-N 3.02Å; I87-F90 PolarHBondContact O-N 3.37Å; I87-F90 VanDerWaalsContact O-N 3.1Å; F90-R92 PolarHBondContact O-N 3.46Å; F90-Q93 WeakPolarHBondContact O-CB 2.95Å; F90-Q93 PolarHBondContact O-N 3.37Å
91	A	61.2	Low	64.9	Low	83 Å²	83	106.6 Å²	106.6	69%	0.686	56%	0.556	S	S	*	*	H	α-helix	trans	-62.5	-25.6	179.9	0	0	0	0	0	113.2	I87 Q93	I87-A91 PolarHBondContact O-N 3.2Å; A91-Q93 VanDerWaalsContact C-N 3.3Å
92	R	58.7	Low	63.3	Low	222 Å²	222	103.8 Å²	103.8	84%	0.838	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-18	174.3	-67.8	-175.9	72.1	-170.9	2.7	113.2	F90 G94	F90-R92 PolarHBondContact O-N 3.46Å; R92-G94 PolarHBondContact O-N 3.23Å
93	Q	53.7	Low	62	Low	97 Å²	97	102.4 Å²	102.4	45%	0.453	55%	0.545	S	S	.	.	S	Bend	trans	-85.4	102.8	176	-63.1	-172.5	-13.5	0	0	108	F90 A91	F90-Q93 WeakPolarHBondContact O-CB 2.95Å; F90-Q93 PolarHBondContact O-N 3.37Å; A91-Q93 VanDerWaalsContact C-N 3.3Å
94	G	48.1	Very low	60.9	Low	50 Å²	50	106.2 Å²	106.2	52%	0.515	57%	0.565	S	S	.	*			trans	-46	147.6	-173.9	0	0	0	0	0	114.1	R92 T96	R92-G94 PolarHBondContact O-N 3.23Å; G94-T96 PolarHBondContact O-N 3.31Å; G94-T96 PolarHBondContact O-OG1 2.95Å
95	S	50.5	Low	59.5	Low	125 Å²	125	106.8 Å²	106.8	87%	0.874	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	38.3	-173.5	63.2	0	0	0	0	115.8
96	T	48.5	Very low	58.4	Low	124 Å²	124	106.9 Å²	106.9	76%	0.761	58%	0.576	S	S	*	*	T	Hydrogen-bonded Turn	trans	-99.8	-4.2	-178.4	31.6	0	0	0	0	114.2	G94	G94-T96 PolarHBondContact O-N 3.31Å; G94-T96 PolarHBondContact O-OG1 2.95Å
97	F	50.1	Low	57.3	Low	165 Å²	165	114.3 Å²	114.3	72%	0.724	60%	0.602	S	S	*	*	S	Bend	trans	-100.3	-14.1	-171.2	-77.9	-79.4	0	0	0	116.6
98	F	49.7	Very low	56	Low	136 Å²	136	113.7 Å²	113.7	60%	0.596	60%	0.6	S	S	*	*	S	Bend	trans	-97.2	115.5	172.6	-67.9	-71.1	0	0	0	109.2	Q100 A102 I106	F98-Q100 PolarHBondContact O-N 3.05Å; F98-A102 HydrophobicContact CB-CB 4.2Å; F98-A102 HydrophobicContact CD1-CB 3.81Å; F98-A102 HydrophobicContact CG-CB 4.43Å; F98-I106 HydrophobicContact CD1-CD1 4.21Å; F98-I106 HydrophobicContact CE1-CD1 3.85Å; F98-I106 HydrophobicContact CE2-CD1 4.43Å; F98-I106 HydrophobicContact CZ-CD1 3.97Å
99	H	53.4	Low	55	Low	153 Å²	153	116 Å²	116	71%	0.708	61%	0.609	S	S	*	*			trans	-47.8	132.2	159.9	-163.5	46.1	0	0	0	107.3	N101 A102	H99-N101 CarbonylContact O-C 3.49Å; H99-N101 PolarHBondContact O-N 2.93Å; H99-A102 WeakPolarHBondContact O-CB 3.41Å; H99-A102 PolarHBondContact O-N 3.05Å
100	Q	55.4	Low	54.2	Low	162 Å²	162	118 Å²	118	76%	0.757	62%	0.621	S	S	*	*	H	α-helix	trans	-45.4	-31.8	-164.7	-170.7	168.4	-3	0	0	114.4	F98 L104	F98-Q100 PolarHBondContact O-N 3.05Å; Q100-L104 WeakPolarHBondContact O-CG 3.45Å; Q100-L104 PolarHBondContact O-N 3.24Å
101	N	55.6	Low	53.7	Low	101 Å²	101	118.3 Å²	118.3	54%	0.54	64%	0.637	S	S	.	*	H	α-helix	trans	-68.5	-37.4	176.8	-59.3	-28.3	0	0	0	114.3	H99 L104 L105	H99-N101 CarbonylContact O-C 3.49Å; H99-N101 PolarHBondContact O-N 2.93Å; N101-L104 PolarHBondContact O-N 3.23Å; N101-L105 WeakPolarHBondContact O-CG 3.47Å; N101-L105 PolarHBondContact O-N 2.87Å
102	A	54.8	Low	53.4	Low	35 Å²	35	121.5 Å²	121.5	29%	0.289	64%	0.642	S	S	.	*	H	α-helix	trans	-69.9	-35.1	178.5	0	0	0	0	0	111.7	F98 H99 L104 L105 I106	F98-A102 HydrophobicContact CB-CB 4.2Å; F98-A102 HydrophobicContact CD1-CB 3.81Å; F98-A102 HydrophobicContact CG-CB 4.43Å; H99-A102 WeakPolarHBondContact O-CB 3.41Å; H99-A102 PolarHBondContact O-N 3.05Å; A102-L104 VanDerWaalsContact C-N 3.26Å; A102-L104 PolarHBondContact O-N 3.41Å; A102-L105 PolarHBondContact O-N 3.42Å; A102-I106 WeakPolarHBondContact O-CG1 3.26Å; A102-I106 PolarHBondContact O-N 3.07Å
103	G	56	Low	53.1	Low	26 Å²	26	116.2 Å²	116.2	27%	0.268	63%	0.627	S	S	.	*	H	α-helix	trans	-64.3	-30.4	173.7	0	0	0	0	0	113.1	R107	G103-R107 WeakPolarHBondContact O-CG 3.42Å; G103-R107 PolarHBondContact O-N 3.47Å
104	L	56.5	Low	53.6	Low	100 Å²	100	116.6 Å²	116.6	52%	0.524	64%	0.636	S	S	.	*	H	α-helix	trans	-74	-40.6	174.7	-66.4	172.7	0	0	0	111.8	Q100 N101 A102 I106 R107 N108	Q100-L104 WeakPolarHBondContact O-CG 3.45Å; Q100-L104 PolarHBondContact O-N 3.24Å; N101-L104 PolarHBondContact O-N 3.23Å; A102-L104 VanDerWaalsContact C-N 3.26Å; A102-L104 PolarHBondContact O-N 3.41Å; L104-I106 VanDerWaalsContact C-N 3.3Å; L104-I106 PolarHBondContact O-N 2.8Å; L104-R107 PolarHBondContact O-N 3.2Å; L104-N108 PolarHBondContact O-N 3.3Å; L104-N108 PolarHBondContact O-OD1 3.31Å
105	L	54.5	Low	54.5	Low	128 Å²	128	120.9 Å²	120.9	67%	0.67	64%	0.643	S	S	*	*	H	α-helix	trans	-64.3	-33.4	179.2	-68.5	173.4	0	0	0	113.2	N101 A102	N101-L105 WeakPolarHBondContact O-CG 3.47Å; N101-L105 PolarHBondContact O-N 2.87Å; A102-L105 PolarHBondContact O-N 3.42Å
106	I	59.3	Low	55.6	Low	120 Å²	120	118.5 Å²	118.5	62%	0.615	62%	0.62	S	S	*	*	H	α-helix	trans	-75.9	-28.6	177.8	-62.7	166.8	0	0	0	111.4	F98 A102 L104 N108	F98-I106 HydrophobicContact CD1-CD1 4.21Å; F98-I106 HydrophobicContact CE1-CD1 3.85Å; F98-I106 HydrophobicContact CE2-CD1 4.43Å; F98-I106 HydrophobicContact CZ-CD1 3.97Å; A102-I106 WeakPolarHBondContact O-CG1 3.26Å; A102-I106 PolarHBondContact O-N 3.07Å; L104-I106 VanDerWaalsContact C-N 3.3Å; L104-I106 PolarHBondContact O-N 2.8Å; I106-N108 VanDerWaalsContact C-N 3.3Å
107	R	53.2	Low	57.1	Low	215 Å²	215	120.6 Å²	120.6	81%	0.811	62%	0.615	S	S	*	*	H	α-helix	trans	-79.4	-9	178.2	-79.5	-173.1	177.1	-144.1	-0.5	114.2	G103 L104 D109	G103-R107 WeakPolarHBondContact O-CG 3.42Å; G103-R107 PolarHBondContact O-N 3.47Å; L104-R107 PolarHBondContact O-N 3.2Å; R107-D109 PolarHBondContact O-N 3.44Å
108	N	47.5	Very low	58.7	Low	95 Å²	95	119.1 Å²	119.1	51%	0.508	61%	0.61	S	S	.	*			trans	-74.8	94.3	-179.2	-75.5	-6.4	0	0	0	109.8	L104 I106	L104-N108 PolarHBondContact O-N 3.3Å; L104-N108 PolarHBondContact O-OD1 3.31Å; I106-N108 VanDerWaalsContact C-N 3.3Å
109	D	51.7	Low	60.4	Low	143 Å²	143	115.7 Å²	115.7	77%	0.765	60%	0.603	S	S	*	*			trans	-54.8	122.7	165.5	-138	-23.4	0	0	0	109	R107 A111	R107-D109 PolarHBondContact O-N 3.44Å; D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 3.39Å
110	P	55	Low	62.1	Low	125 Å²	125	113.4 Å²	113.4	81%	0.812	60%	0.595	S	S	*	*	S	Bend	trans	-84.8	11.5	-159.2	32	-35	0	0	0	115.7
111	A	55.3	Low	63.7	Low	80 Å²	80	109.3 Å²	109.3	66%	0.661	58%	0.578	S	S	*	*	S	Bend	trans	-91.7	-38.9	-170.6	0	0	0	0	0	115.7	D109	D109-A111 VanDerWaalsContact C-N 3.33Å; D109-A111 PolarHBondContact O-N 3.39Å
112	D	54.7	Low	65.4	Low	150 Å²	150	107.8 Å²	107.8	80%	0.802	58%	0.575	S	S	*	*	S	Bend	trans	-107	-9.6	-162.6	-101.6	-6.7	0	0	0	116.9	T114	D112-T114 PolarHBondContact O-N 2.76Å
113	E	52.4	Low	67.1	Low	110 Å²	110	108.8 Å²	108.8	51%	0.514	58%	0.58	S	S	.	*			trans	-103.1	36.3	-171.9	-67.3	-159.2	144	0	0	115.1	H115 L116	E113-H115 PolarHBondContact O-N 3.36Å; E113-L116 HydrophobicContact CB-CB 4.16Å; E113-L116 HydrophobicContact CB-CD1 4.19Å; E113-L116 HydrophobicContact CB-CG 3.93Å; E113-L116 HydrophobicContact CG-CD1 4.21Å; E113-L116 HydrophobicContact CG-CG 4.18Å; E113-L116 PolarHBondContact O-N 2.95Å; E113-L116 WeakPolarHBondContact OE1-CD1 3.22Å; E113-L116 WeakPolarHBondContact OE2-CD1 3.35Å
114	T	64.3	Low	68.9	Low	106 Å²	106	114.1 Å²	114.1	65%	0.65	59%	0.593	S	S	*	*	H	α-helix	trans	-56.6	-31.6	172.8	53.9	0	0	0	0	112.7	D112 Y117	D112-T114 PolarHBondContact O-N 2.76Å; T114-Y117 PolarHBondContact O-N 2.75Å
115	H	66.3	Low	70.8	Confident	140 Å²	140	111.9 Å²	111.9	65%	0.648	58%	0.581	S	S	*	*	H	α-helix	trans	-71.1	-27.4	175.6	-69.8	-69.1	0	0	0	114.5	E113 Y117 S119	E113-H115 PolarHBondContact O-N 3.36Å; H115-Y117 VanDerWaalsContact C-N 3.31Å; H115-S119 PolarHBondContact O-N 3.11Å; H115-S119 PolarHBondContact O-OG 2.9Å; H115-S119 VanDerWaalsContact O-OG 3.07Å
116	L	74.1	Confident	72.7	Confident	74 Å²	74	114 Å²	114	39%	0.387	58%	0.581	S	S	.	*	H	α-helix	trans	-69.2	-33.8	177.3	-72.2	-157.3	0	0	0	111.4	E113 E118 S119 I120	E113-L116 HydrophobicContact CB-CB 4.16Å; E113-L116 HydrophobicContact CB-CD1 4.19Å; E113-L116 HydrophobicContact CB-CG 3.93Å; E113-L116 HydrophobicContact CG-CD1 4.21Å; E113-L116 HydrophobicContact CG-CG 4.18Å; E113-L116 PolarHBondContact O-N 2.95Å; E113-L116 WeakPolarHBondContact OE1-CD1 3.22Å; E113-L116 WeakPolarHBondContact OE2-CD1 3.35Å; L116-E118 VanDerWaalsContact C-N 3.33Å; L116-E118 PolarHBondContact O-N 3.04Å; L116-S119 PolarHBondContact O-N 2.93Å; L116-I120 HydrophobicContact CB-CD1 4.35Å; L116-I120 WeakPolarHBondContact O-CB 3.47Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 3.49Å
117	Y	79.7	Confident	74.4	Confident	168 Å²	168	113.1 Å²	113.1	66%	0.659	58%	0.576	S	S	*	*	H	α-helix	trans	-58.3	-46.1	177.9	-177.9	-99.8	0	0	0	111.7	T114 H115 I120 L121	T114-Y117 PolarHBondContact O-N 2.75Å; H115-Y117 VanDerWaalsContact C-N 3.31Å; Y117-I120 PolarHBondContact O-N 2.95Å; Y117-L121 HydrophobicContact CE1-CD2 4.46Å; Y117-L121 VanDerWaalsContact O-CB 3.26Å; Y117-L121 WeakPolarHBondContact O-CB 3.49Å; Y117-L121 PolarHBondContact O-N 3.08Å
118	E	84.3	Confident	76.4	Confident	135 Å²	135	109.3 Å²	109.3	63%	0.631	56%	0.562	S	S	*	*	H	α-helix	trans	-65.9	-39.8	177.8	-172.2	176.2	-173.7	0	0	112.1	L116 L121 S122	L116-E118 VanDerWaalsContact C-N 3.33Å; L116-E118 PolarHBondContact O-N 3.04Å; E118-L121 PolarHBondContact O-N 3.47Å; E118-S122 WeakPolarHBondContact O-CB 3.22Å; E118-S122 PolarHBondContact O-N 2.88Å; E118-S122 PolarHBondContact O-OG 2.82Å; E118-S122 VanDerWaalsContact O-OG 3.11Å
119	S	84.1	Confident	78.7	Confident	64 Å²	64	111.9 Å²	111.9	45%	0.448	56%	0.564	S	S	.	*	H	α-helix	trans	-66.5	-39.7	177.2	-60.7	0	0	0	0	112.4	H115 L116 S122 S123	H115-S119 PolarHBondContact O-N 3.11Å; H115-S119 PolarHBondContact O-OG 2.9Å; H115-S119 VanDerWaalsContact O-OG 3.07Å; L116-S119 PolarHBondContact O-N 2.93Å; S119-S122 WeakPolarHBondContact CA-OG 3.41Å; S119-S122 PolarHBondContact O-OG 3.24Å; S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 2.88Å
120	I	89.4	Confident	80.8	Confident	105 Å²	105	107 Å²	107	54%	0.538	54%	0.544	S	S	.	.	H	α-helix	trans	-69.7	-41.1	175.4	-69.1	166.5	0	0	0	110.2	L116 Y117 S123 Y124	L116-I120 HydrophobicContact CB-CD1 4.35Å; L116-I120 WeakPolarHBondContact O-CB 3.47Å; L116-I120 WeakPolarHBondContact O-CG1 3.49Å; L116-I120 PolarHBondContact O-N 3.49Å; Y117-I120 PolarHBondContact O-N 2.95Å; I120-S123 WeakPolarHBondContact CA-OG 3.31Å; I120-S123 PolarHBondContact O-N 3.23Å; I120-S123 PolarHBondContact O-OG 3.5Å; I120-Y124 WeakPolarHBondContact O-CB 3.4Å; I120-Y124 PolarHBondContact O-N 3.38Å
121	L	88.7	Confident	82.7	Confident	75 Å²	75	110.1 Å²	110.1	39%	0.393	54%	0.54	S	S	.	.	H	α-helix	trans	-64.6	-42.9	177.8	-172.4	70.2	0	0	0	111.5	Y117 E118 Y124 N125	Y117-L121 HydrophobicContact CE1-CD2 4.46Å; Y117-L121 VanDerWaalsContact O-CB 3.26Å; Y117-L121 WeakPolarHBondContact O-CB 3.49Å; Y117-L121 PolarHBondContact O-N 3.08Å; E118-L121 PolarHBondContact O-N 3.47Å; L121-Y124 PolarHBondContact O-N 2.83Å; L121-N125 VanDerWaalsContact O-CB 3.31Å; L121-N125 WeakPolarHBondContact O-CB 3.47Å; L121-N125 PolarHBondContact O-N 2.92Å; L121-N125 PolarHBondContact O-ND2 3.48Å; L121-N125 VanDerWaalsContact O-ND2 3.08Å
122	S	90.8	Very high	84.6	Confident	70 Å²	70	110.2 Å²	110.2	49%	0.49	53%	0.526	S	S	.	.	H	α-helix	trans	-66.2	-43.1	177.7	62.5	0	0	0	0	112.1	E118 S119 N125 W126	E118-S122 WeakPolarHBondContact O-CB 3.22Å; E118-S122 PolarHBondContact O-N 2.88Å; E118-S122 PolarHBondContact O-OG 2.82Å; E118-S122 VanDerWaalsContact O-OG 3.11Å; S119-S122 WeakPolarHBondContact CA-OG 3.41Å; S119-S122 PolarHBondContact O-OG 3.24Å; S122-N125 PolarHBondContact O-N 2.79Å; S122-W126 WeakPolarHBondContact O-CB 3.33Å; S122-W126 PolarHBondContact O-N 2.85Å
123	S	91.5	Very high	86.5	Confident	55 Å²	55	108.4 Å²	108.4	39%	0.385	51%	0.513	S	S	.	.	H	α-helix	trans	-65.8	-41.7	174.8	57	0	0	0	0	112.4	S119 I120 N125 W126 I127	S119-S123 WeakPolarHBondContact O-CB 3.49Å; S119-S123 PolarHBondContact O-N 3.09Å; S119-S123 PolarHBondContact O-OG 2.88Å; I120-S123 WeakPolarHBondContact CA-OG 3.31Å; I120-S123 PolarHBondContact O-N 3.23Å; I120-S123 PolarHBondContact O-OG 3.5Å; S123-N125 PolarHBondContact O-N 3.46Å; S123-W126 PolarHBondContact O-N 3.34Å; S123-I127 WeakPolarHBondContact O-CG1 3.34Å; S123-I127 PolarHBondContact O-N 2.88Å
124	Y	94.5	Very high	88.4	Confident	139 Å²	139	106 Å²	106	55%	0.545	51%	0.511	S	S	.	.	H	α-helix	trans	-58.7	-46.7	172.1	176.3	-95.8	0	0	0	111.6	I120 L121 W126 I127 R128	I120-Y124 WeakPolarHBondContact O-CB 3.4Å; I120-Y124 PolarHBondContact O-N 3.38Å; L121-Y124 PolarHBondContact O-N 2.83Å; Y124-W126 VanDerWaalsContact C-N 3.33Å; Y124-W126 PolarHBondContact O-N 2.88Å; Y124-I127 PolarHBondContact O-N 3.44Å; Y124-R128 VanDerWaalsContact O-CB 3.31Å; Y124-R128 WeakPolarHBondContact O-CB 3.4Å; Y124-R128 PolarHBondContact O-N 3.24Å
125	N	94.8	Very high	89.8	Confident	52 Å²	52	106.3 Å²	106.3	28%	0.278	51%	0.506	S	S	.	.	H	α-helix	trans	-62.7	-38.6	176.7	-77.2	-34.2	0	0	0	112.2	L121 S122 S123 R128 R129	L121-N125 VanDerWaalsContact O-CB 3.31Å; L121-N125 WeakPolarHBondContact O-CB 3.47Å; L121-N125 PolarHBondContact O-N 2.92Å; L121-N125 PolarHBondContact O-ND2 3.48Å; L121-N125 VanDerWaalsContact O-ND2 3.08Å; S122-N125 PolarHBondContact O-N 2.79Å; S123-N125 PolarHBondContact O-N 3.46Å; N125-R128 PolarHBondContact O-N 3.36Å; N125-R129 WeakPolarHBondContact O-CG 3.34Å; N125-R129 PolarHBondContact O-N 3.46Å
126	W	94.3	Very high	91.1	Very high	174 Å²	174	108.7 Å²	108.7	66%	0.659	51%	0.509	S	S	*	.	H	α-helix	trans	-64.9	-47.8	174.8	177.1	82.7	0	0	0	111.9	S122 S123 Y124 R128 R129 A130	S122-W126 WeakPolarHBondContact O-CB 3.33Å; S122-W126 PolarHBondContact O-N 2.85Å; S123-W126 PolarHBondContact O-N 3.34Å; Y124-W126 VanDerWaalsContact C-N 3.33Å; Y124-W126 PolarHBondContact O-N 2.88Å; W126-R128 VanDerWaalsContact C-N 3.28Å; W126-R128 PolarHBondContact O-N 3.3Å; W126-R129 PolarHBondContact O-N 2.86Å; W126-A130 WeakPolarHBondContact O-CB 3.35Å; W126-A130 PolarHBondContact O-N 2.88Å
127	I	96	Very high	91.7	Very high	100 Å²	100	108.7 Å²	108.7	51%	0.513	51%	0.513	S	S	.	.	H	α-helix	trans	-59.3	-42.6	175.8	-68.3	170.6	0	0	0	110.3	S123 Y124 A130 R131	S123-I127 WeakPolarHBondContact O-CG1 3.34Å; S123-I127 PolarHBondContact O-N 2.88Å; Y124-I127 PolarHBondContact O-N 3.44Å; I127-A130 PolarHBondContact O-N 3.07Å; I127-R131 VanDerWaalsContact O-CB 3.31Å; I127-R131 WeakPolarHBondContact O-CB 3.49Å; I127-R131 PolarHBondContact O-N 2.96Å
128	R	96	Very high	92	Very high	135 Å²	135	106.5 Å²	106.5	51%	0.509	51%	0.507	S	S	.	.	H	α-helix	trans	-60.3	-51.5	177.2	-179	-179.5	169.3	174.5	2.6	111.5	Y124 N125 W126 A130 R131 E132	Y124-R128 VanDerWaalsContact O-CB 3.31Å; Y124-R128 WeakPolarHBondContact O-CB 3.4Å; Y124-R128 PolarHBondContact O-N 3.24Å; N125-R128 PolarHBondContact O-N 3.36Å; W126-R128 VanDerWaalsContact C-N 3.28Å; W126-R128 PolarHBondContact O-N 3.3Å; R128-A130 PolarHBondContact O-N 3.02Å; R128-R131 WeakPolarHBondContact O-CB 3.49Å; R128-R131 PolarHBondContact O-N 2.92Å; R128-E132 WeakPolarHBondContact CG-OE1 3.24Å; R128-E132 IonicContact CZ-OE1 3.84Å; R128-E132 IonicContact NE-OE1 3.87Å; R128-E132 PolarHBondContact NE-OE1 2.86Å; R128-E132 IonicContact NH2-OE1 3.78Å; R128-E132 WeakPolarHBondContact O-CG 3.31Å; R128-E132 PolarHBondContact O-N 3.19Å
129	R	95.5	Very high	92.1	Very high	149 Å²	149	104.4 Å²	104.4	56%	0.562	50%	0.5	S	S	*	.	H	α-helix	trans	-60.2	-44.1	176.7	-70.7	-178.9	-142.6	158.8	3.9	111.8	N125 W126 R131 E132 H133	N125-R129 WeakPolarHBondContact O-CG 3.34Å; N125-R129 PolarHBondContact O-N 3.46Å; W126-R129 PolarHBondContact O-N 2.86Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 3.4Å; R129-E132 PolarHBondContact O-N 3.38Å; R129-H133 PolarHBondContact O-CD2 3.36Å; R129-H133 PolarHBondContact O-N 2.9Å
130	A	94.5	Very high	92	Very high	42 Å²	42	107.7 Å²	107.7	35%	0.347	51%	0.506	S	S	.	.	H	α-helix	trans	-60.1	-39.9	177.2	0	0	0	0	0	111.6	W126 I127 R128 A134	W126-A130 WeakPolarHBondContact O-CB 3.35Å; W126-A130 PolarHBondContact O-N 2.88Å; I127-A130 PolarHBondContact O-N 3.07Å; R128-A130 PolarHBondContact O-N 3.02Å; A130-A134 VanDerWaalsContact O-CB 3.24Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-A134 PolarHBondContact O-N 2.89Å
131	R	95.8	Very high	91.5	Very high	189 Å²	189	107 Å²	107	71%	0.713	50%	0.503	S	S	*	.	H	α-helix	trans	-67.7	-41.2	176	-169.6	174.9	178.4	174.8	-0.8	112.2	I127 R128 R129 A134 Q135	I127-R131 VanDerWaalsContact O-CB 3.31Å; I127-R131 WeakPolarHBondContact O-CB 3.49Å; I127-R131 PolarHBondContact O-N 2.96Å; R128-R131 WeakPolarHBondContact O-CB 3.49Å; R128-R131 PolarHBondContact O-N 2.92Å; R129-R131 VanDerWaalsContact C-N 3.28Å; R129-R131 PolarHBondContact O-N 3.4Å; R131-A134 PolarHBondContact O-N 2.92Å; R131-Q135 VanDerWaalsContact O-CB 3.31Å; R131-Q135 WeakPolarHBondContact O-CB 3.31Å; R131-Q135 PolarHBondContact O-N 3.24Å
132	E	94.5	Very high	90.8	Very high	82 Å²	82	105 Å²	105	38%	0.383	49%	0.493	S	S	.	.	H	α-helix	trans	-61.7	-47.6	174.5	-72	169.1	-174.7	0	0	111.1	R128 R129 Q135 W136	R128-E132 WeakPolarHBondContact CG-OE1 3.24Å; R128-E132 IonicContact CZ-OE1 3.84Å; R128-E132 IonicContact NE-OE1 3.87Å; R128-E132 PolarHBondContact NE-OE1 2.86Å; R128-E132 IonicContact NH2-OE1 3.78Å; R128-E132 WeakPolarHBondContact O-CG 3.31Å; R128-E132 PolarHBondContact O-N 3.19Å; R129-E132 PolarHBondContact O-N 3.38Å; E132-Q135 PolarHBondContact O-N 3.38Å; E132-W136 PolarHBondContact O-N 3.24Å
133	H	94	Very high	89.9	Confident	113 Å²	113	105.4 Å²	105.4	52%	0.523	49%	0.494	S	S	.	.	H	α-helix	trans	-63.3	-44.3	175.3	-71.8	-58	0	0	0	112.5	R129 Q135 W136 T137	R129-H133 PolarHBondContact O-CD2 3.36Å; R129-H133 PolarHBondContact O-N 2.9Å; H133-Q135 VanDerWaalsContact C-N 3.26Å; H133-Q135 PolarHBondContact O-N 3.45Å; H133-W136 PolarHBondContact O-N 2.84Å; H133-T137 WeakPolarHBondContact O-CB 3.48Å; H133-T137 PolarHBondContact O-N 3.33Å; H133-T137 PolarHBondContact O-OG1 3.01Å
134	A	93.4	Very high	88.6	Confident	58 Å²	58	106.7 Å²	106.7	48%	0.479	50%	0.495	S	S	.	.	H	α-helix	trans	-60.8	-37.1	175.6	0	0	0	0	0	111.7	A130 R131 F138	A130-A134 VanDerWaalsContact O-CB 3.24Å; A130-A134 WeakPolarHBondContact O-CB 3.31Å; A130-A134 PolarHBondContact O-N 2.89Å; R131-A134 PolarHBondContact O-N 2.92Å; A134-F138 VanDerWaalsContact O-CB 3.26Å; A134-F138 WeakPolarHBondContact O-CB 3.39Å; A134-F138 PolarHBondContact O-N 3.2Å
135	Q	93.9	Very high	86.8	Confident	114 Å²	114	101.6 Å²	101.6	53%	0.533	48%	0.481	S	S	.	.	H	α-helix	trans	-68.7	-40.2	175.5	-171.2	171.5	-3.1	0	0	111.9	R131 E132 H133 F138 N139	R131-Q135 VanDerWaalsContact O-CB 3.31Å; R131-Q135 WeakPolarHBondContact O-CB 3.31Å; R131-Q135 PolarHBondContact O-N 3.24Å; E132-Q135 PolarHBondContact O-N 3.38Å; H133-Q135 VanDerWaalsContact C-N 3.26Å; H133-Q135 PolarHBondContact O-N 3.45Å; Q135-F138 PolarHBondContact O-N 3.34Å; Q135-N139 WeakPolarHBondContact O-CB 3.26Å; Q135-N139 PolarHBondContact O-N 2.86Å; Q135-N139 PolarHBondContact O-ND2 3.4Å
136	W	92.3	Very high	84.7	Confident	189 Å²	189	107 Å²	107	72%	0.716	50%	0.498	S	S	*	.	H	α-helix	trans	-62.1	-48	172	-76.5	20.2	0	0	0	111.8	E132 H133 F138 N139 F140	E132-W136 PolarHBondContact O-N 3.24Å; H133-W136 PolarHBondContact O-N 2.84Å; W136-F138 VanDerWaalsContact C-N 3.31Å; W136-F138 PolarHBondContact O-N 2.8Å; W136-N139 PolarHBondContact O-N 2.88Å; W136-F140 WeakPolarHBondContact O-CB 3.26Å; W136-F140 PolarHBondContact O-N 3.17Å
137	T	86.5	Confident	82.6	Confident	75 Å²	75	109 Å²	109	46%	0.46	51%	0.505	S	S	.	.	H	α-helix	trans	-60.3	-42.3	176	-56.9	0	0	0	0	111	H133 F140 L141	H133-T137 WeakPolarHBondContact O-CB 3.48Å; H133-T137 PolarHBondContact O-N 3.33Å; H133-T137 PolarHBondContact O-OG1 3.01Å; T137-F140 PolarHBondContact O-N 2.77Å; T137-L141 HydrophobicContact CG2-CD1 3.53Å; T137-L141 HydrophobicContact CG2-CG 4.01Å; T137-L141 VanDerWaalsContact O-CB 3.24Å; T137-L141 WeakPolarHBondContact O-CB 3.45Å; T137-L141 VanDerWaalsContact O-CG 3.26Å; T137-L141 WeakPolarHBondContact O-CG 3.35Å; T137-L141 PolarHBondContact O-N 3.28Å
138	F	86	Confident	80.3	Confident	122 Å²	122	107.7 Å²	107.7	54%	0.535	50%	0.504	S	S	.	.	H	α-helix	trans	-61	-46.4	173.8	178.4	-98.6	0	0	0	111.4	A134 Q135 W136 F140 L141 N142	A134-F138 VanDerWaalsContact O-CB 3.26Å; A134-F138 WeakPolarHBondContact O-CB 3.39Å; A134-F138 PolarHBondContact O-N 3.2Å; Q135-F138 PolarHBondContact O-N 3.34Å; W136-F138 VanDerWaalsContact C-N 3.31Å; W136-F138 PolarHBondContact O-N 2.8Å; F138-F140 VanDerWaalsContact C-N 3.29Å; F138-F140 PolarHBondContact O-N 3.44Å; F138-L141 PolarHBondContact O-N 3.37Å; F138-N142 HydrophobicContact CE1-CB 4.32Å; F138-N142 HydrophobicContact CE2-CB 4.41Å; F138-N142 HydrophobicContact CZ-CB 4.27Å; F138-N142 WeakPolarHBondContact CZ-ND2 3.46Å; F138-N142 WeakPolarHBondContact O-CA 2.88Å; F138-N142 WeakPolarHBondContact O-CB 3.26Å; F138-N142 PolarHBondContact O-N 3.43Å
139	N	87.7	Confident	77.8	Confident	90 Å²	90	105 Å²	105	48%	0.481	50%	0.497	S	S	.	.	H	α-helix	trans	-65.1	-31.8	178.9	-70.7	-18.4	0	0	0	112.9	Q135 W136 P143	Q135-N139 WeakPolarHBondContact O-CB 3.26Å; Q135-N139 PolarHBondContact O-N 2.86Å; Q135-N139 PolarHBondContact O-ND2 3.4Å; W136-N139 PolarHBondContact O-N 2.88Å; N139-P143 WeakPolarHBondContact O-CD 3.46Å; N139-P143 VanDerWaalsContact O-CG 3.26Å; N139-P143 WeakPolarHBondContact O-CG 2.95Å
140	F	81.7	Confident	75.3	Confident	133 Å²	133	102 Å²	102	58%	0.583	50%	0.5	S	S	*	.	H	α-helix	trans	-77.4	-44.8	176	-177.2	-98.5	0	0	0	112.4	W136 T137 F138 P143 M144	W136-F140 WeakPolarHBondContact O-CB 3.26Å; W136-F140 PolarHBondContact O-N 3.17Å; T137-F140 PolarHBondContact O-N 2.77Å; F138-F140 VanDerWaalsContact C-N 3.29Å; F138-F140 PolarHBondContact O-N 3.44Å; F140-P143 WeakPolarHBondContact O-CD 3.24Å; F140-M144 HydrophobicContact CD1-CE 3.99Å; F140-M144 HydrophobicContact CD1-SD 4.42Å; F140-M144 HydrophobicContact CD2-CE 4.31Å; F140-M144 HydrophobicContact CE1-CE 3.3Å; F140-M144 HydrophobicContact CE1-SD 3.92Å; F140-M144 HydrophobicContact CE2-CE 3.68Å; F140-M144 HydrophobicContact CG-CE 4.46Å; F140-M144 HydrophobicContact CZ-CE 3.14Å; F140-M144 HydrophobicContact CZ-SD 4.34Å
141	L	78.2	Confident	73	Confident	90 Å²	90	110.1 Å²	110.1	47%	0.471	53%	0.527	S	S	.	.	H	α-helix	trans	-77.3	-33	-178.1	-67.9	-179.8	0	0	0	112.6	T137 F138 M144 A145	T137-L141 HydrophobicContact CG2-CD1 3.53Å; T137-L141 HydrophobicContact CG2-CG 4.01Å; T137-L141 VanDerWaalsContact O-CB 3.24Å; T137-L141 WeakPolarHBondContact O-CB 3.45Å; T137-L141 VanDerWaalsContact O-CG 3.26Å; T137-L141 WeakPolarHBondContact O-CG 3.35Å; T137-L141 PolarHBondContact O-N 3.28Å; F138-L141 PolarHBondContact O-N 3.37Å; L141-M144 CarbonylContact O-C 3.58Å; L141-M144 PolarHBondContact O-N 2.81Å; L141-M144 VanDerWaalsContact O-N 3.09Å; L141-A145 VanDerWaalsContact O-CB 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 3.18Å
142	N	75.5	Confident	70.6	Confident	35 Å²	35	104.3 Å²	104.3	19%	0.187	52%	0.515	C	S	.	.	H	α-helix	trans	-60.3	-45.1	-175.8	-174.1	17	0	0	0	112.4	F138 M144 A145 R146	F138-N142 HydrophobicContact CE1-CB 4.32Å; F138-N142 HydrophobicContact CE2-CB 4.41Å; F138-N142 HydrophobicContact CZ-CB 4.27Å; F138-N142 WeakPolarHBondContact CZ-ND2 3.46Å; F138-N142 WeakPolarHBondContact O-CA 2.88Å; F138-N142 WeakPolarHBondContact O-CB 3.26Å; F138-N142 PolarHBondContact O-N 3.43Å; N142-M144 VanDerWaalsContact C-N 3.34Å; N142-M144 PolarHBondContact O-N 3.27Å; N142-A145 PolarHBondContact O-N 2.92Å; N142-R146 PolarHBondContact ND2-NH2 3.39Å; N142-R146 VanDerWaalsContact ND2-NH2 3.2Å; N142-R146 VanDerWaalsContact O-CG 3.27Å; N142-R146 WeakPolarHBondContact O-CG 3.26Å; N142-R146 PolarHBondContact O-N 2.78Å; N142-R146 PolarHBondContact OD1-NE 2.94Å; N142-R146 VanDerWaalsContact OD1-NE 3.13Å
143	P	70.4	Confident	68.3	Low	77 Å²	77	105.3 Å²	105.3	50%	0.5	52%	0.522	S	S	.	.	H	α-helix	trans	-61.9	-37.7	171.6	-22	32.3	0	0	0	113.5	N139 F140 R146 R147	N139-P143 WeakPolarHBondContact O-CD 3.46Å; N139-P143 VanDerWaalsContact O-CG 3.26Å; N139-P143 WeakPolarHBondContact O-CG 2.95Å; F140-P143 WeakPolarHBondContact O-CD 3.24Å; P143-R146 PolarHBondContact O-N 3.25Å; P143-R147 PolarHBondContact O-N 3.06Å
144	M	65.4	Low	65.9	Low	83 Å²	83	111.4 Å²	111.4	41%	0.409	54%	0.541	S	S	.	.	H	α-helix	trans	-69.5	-41	177.5	-63.8	-168.3	-173.5	0	0	111.8	F140 L141 N142 R146 R147	F140-M144 HydrophobicContact CD1-CE 3.99Å; F140-M144 HydrophobicContact CD1-SD 4.42Å; F140-M144 HydrophobicContact CD2-CE 4.31Å; F140-M144 HydrophobicContact CE1-CE 3.3Å; F140-M144 HydrophobicContact CE1-SD 3.92Å; F140-M144 HydrophobicContact CE2-CE 3.68Å; F140-M144 HydrophobicContact CG-CE 4.46Å; F140-M144 HydrophobicContact CZ-CE 3.14Å; F140-M144 HydrophobicContact CZ-SD 4.34Å; L141-M144 CarbonylContact O-C 3.58Å; L141-M144 PolarHBondContact O-N 2.81Å; L141-M144 VanDerWaalsContact O-N 3.09Å; N142-M144 VanDerWaalsContact C-N 3.34Å; N142-M144 PolarHBondContact O-N 3.27Å; M144-R146 VanDerWaalsContact C-N 3.26Å; M144-R146 PolarHBondContact O-N 2.87Å; M144-R147 PolarHBondContact O-N 3.27Å
145	A	57.2	Low	63.4	Low	31 Å²	31	116.4 Å²	116.4	26%	0.256	55%	0.551	S	S	.	*	H	α-helix	trans	-60.9	-38	173.4	0	0	0	0	0	110.7	L141 N142 R147 S148 Q149	L141-A145 VanDerWaalsContact O-CB 3.29Å; L141-A145 WeakPolarHBondContact O-CB 3.43Å; L141-A145 PolarHBondContact O-N 3.18Å; N142-A145 PolarHBondContact O-N 2.92Å; A145-R147 VanDerWaalsContact C-N 3.3Å; A145-R147 PolarHBondContact O-N 3.44Å; A145-S148 CarbonylContact O-C 3.57Å; A145-S148 PolarHBondContact O-N 3.47Å; A145-S148 VanDerWaalsContact O-N 3.07Å; A145-Q149 WeakPolarHBondContact O-CB 3.49Å; A145-Q149 WeakPolarHBondContact O-CG 3.27Å; A145-Q149 PolarHBondContact O-N 2.81Å
146	R	49.1	Very low	61	Low	167 Å²	167	118.3 Å²	118.3	63%	0.63	57%	0.57	S	S	*	*	H	α-helix	trans	-66.7	-23	176.3	-74.5	179.5	-157.1	-128.8	16.2	114.7	N142 P143 M144 S148	N142-R146 PolarHBondContact ND2-NH2 3.39Å; N142-R146 VanDerWaalsContact ND2-NH2 3.2Å; N142-R146 VanDerWaalsContact O-CG 3.27Å; N142-R146 WeakPolarHBondContact O-CG 3.26Å; N142-R146 PolarHBondContact O-N 2.78Å; N142-R146 PolarHBondContact OD1-NE 2.94Å; N142-R146 VanDerWaalsContact OD1-NE 3.13Å; P143-R146 PolarHBondContact O-N 3.25Å; M144-R146 VanDerWaalsContact C-N 3.26Å; M144-R146 PolarHBondContact O-N 2.87Å; R146-S148 PolarHBondContact O-N 3.2Å
147	R	50.9	Low	58.7	Low	216 Å²	216	115.8 Å²	115.8	82%	0.815	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.1	-20.6	170.9	-79.5	-169.9	-111.1	-179.4	-3.3	112.7	P143 M144 A145	P143-R147 PolarHBondContact O-N 3.06Å; M144-R147 PolarHBondContact O-N 3.27Å; A145-R147 VanDerWaalsContact C-N 3.3Å; A145-R147 PolarHBondContact O-N 3.44Å
148	S	47.3	Very low	56.8	Low	71 Å²	71	116.4 Å²	116.4	50%	0.497	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-117.5	-12.2	177.5	-170.2	0	0	0	0	114.6	A145 R146 S150	A145-S148 CarbonylContact O-C 3.57Å; A145-S148 PolarHBondContact O-N 3.47Å; A145-S148 VanDerWaalsContact O-N 3.07Å; R146-S148 PolarHBondContact O-N 3.2Å; S148-S150 PolarHBondContact O-N 3.13Å
149	Q	43.9	Very low	55.1	Low	78 Å²	78	113 Å²	113	36%	0.364	56%	0.56	S	S	.	*			trans	-97.2	71.2	-178.2	-68.5	177.9	10.8	0	0	111.1	A145 K151 L153	A145-Q149 WeakPolarHBondContact O-CB 3.49Å; A145-Q149 WeakPolarHBondContact O-CG 3.27Å; A145-Q149 PolarHBondContact O-N 2.81Å; Q149-K151 VanDerWaalsContact C-N 3.33Å; Q149-K151 PolarHBondContact O-N 2.74Å; Q149-L153 HydrophobicContact CG-CD1 3.88Å; Q149-L153 VanDerWaalsContact OE1-CD1 3.25Å
150	S	42.9	Very low	53.5	Low	87 Å²	87	112.6 Å²	112.6	61%	0.608	56%	0.564	S	S	*	*			trans	-60.4	97.3	159.3	27.9	0	0	0	0	109	S148 C152	S148-S150 PolarHBondContact O-N 3.13Å; S150-C152 VanDerWaalsContact C-N 3.25Å; S150-C152 PolarHBondContact O-N 2.75Å
151	K	46.6	Very low	52.5	Low	212 Å²	212	108.2 Å²	108.2	92%	0.922	55%	0.545	S	S	*	.	S	Bend	trans	54.5	4.5	158.1	-61.3	-178.3	-179.7	177.4	0	119.8	Q149	Q149-K151 VanDerWaalsContact C-N 3.33Å; Q149-K151 PolarHBondContact O-N 2.74Å
152	C	45.1	Very low	51.5	Low	68 Å²	68	106.5 Å²	106.5	46%	0.459	54%	0.536	S	S	.	.			trans	-93.3	-9.1	-173.3	-141.2	0	0	0	0	117.1	S150 R154 T278	S150-C152 VanDerWaalsContact C-N 3.25Å; S150-C152 PolarHBondContact O-N 2.75Å; C152-R154 PolarHBondContact O-N 2.8Å; C152-T278 WeakPolarHBondContact CB-O 3.47Å; C152-T278 PolarHBondContact SG-O 2.84Å
153	L	45.4	Very low	50.8	Low	102 Å²	102	112.3 Å²	112.3	53%	0.534	56%	0.563	S	S	.	*	T	Hydrogen-bonded Turn	trans	-93.7	20.2	-172.5	-90.8	163	0	0	0	116.8	Q149	Q149-L153 HydrophobicContact CG-CD1 3.88Å; Q149-L153 VanDerWaalsContact OE1-CD1 3.25Å
154	R	43.6	Very low	50.5	Low	242 Å²	242	112 Å²	112	91%	0.913	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-109.7	16.9	175.9	-94.2	-160.2	-78.2	174.5	-6.2	116.4	C152	C152-R154 PolarHBondContact O-N 2.8Å
155	K	42.7	Very low	50.7	Low	162 Å²	162	112.7 Å²	112.7	70%	0.704	56%	0.56	S	S	*	*			trans	-121.4	102.7	167.3	-76.5	167.4	157.7	-170.2	0	108.9	F157	K155-F157 HydrophobicContact CB-CD2 3.53Å; K155-F157 HydrophobicContact CB-CE2 3.84Å; K155-F157 HydrophobicContact CD-CD2 4.13Å; K155-F157 HydrophobicContact CD-CE2 3.69Å; K155-F157 HydrophobicContact CG-CD2 4.14Å; K155-F157 HydrophobicContact CG-CE2 3.9Å; K155-F157 PolarHBondContact O-N 3.41Å
156	V	43.5	Very low	51.2	Low	154 Å²	154	115 Å²	115	93%	0.933	57%	0.573	S	S	*	*			trans	-66.5	60.6	162.4	-173.2	0	0	0	0	107.5
157	F	42.3	Very low	52.6	Low	136 Å²	136	110.6 Å²	110.6	60%	0.596	57%	0.565	S	S	*	*			trans	-79.4	134.5	160.3	-80.2	-65.8	0	0	0	105.9	K155	K155-F157 HydrophobicContact CB-CD2 3.53Å; K155-F157 HydrophobicContact CB-CE2 3.84Å; K155-F157 HydrophobicContact CD-CD2 4.13Å; K155-F157 HydrophobicContact CD-CE2 3.69Å; K155-F157 HydrophobicContact CG-CD2 4.14Å; K155-F157 HydrophobicContact CG-CE2 3.9Å; K155-F157 PolarHBondContact O-N 3.41Å
158	P	46.8	Very low	54	Low	88 Å²	88	103 Å²	103	57%	0.571	54%	0.538	S	S	*	.			trans	-50.7	125.3	165.4	23.6	-31	0	0	0	105.5	S160	P158-S160 PolarHBondContact O-N 3.12Å
159	P	52.1	Low	55.4	Low	50 Å²	50	100.1 Å²	100.1	33%	0.325	52%	0.516	S	S	.	.			trans	-57.8	111.2	-163.2	17.2	-29.9	0	0	0	109.5	F161 L162	P159-F161 HydrophobicContact CB-CD1 3.36Å; P159-F161 HydrophobicContact CB-CD2 3.85Å; P159-F161 HydrophobicContact CB-CE1 2.99Å; P159-F161 HydrophobicContact CB-CE2 3.49Å; P159-F161 VanDerWaalsContact CB-CE2 3.49Å; P159-F161 HydrophobicContact CB-CG 3.79Å; P159-F161 HydrophobicContact CB-CZ 3.06Å; P159-F161 HydrophobicContact CG-CE1 4.1Å; P159-F161 HydrophobicContact CG-CE2 3.88Å; P159-F161 HydrophobicContact CG-CZ 3.67Å; P159-F161 PolarHBondContact O-N 2.72Å; P159-L162 HydrophobicContact CB-CG 4.46Å; P159-L162 HydrophobicContact CG-CD1 3.69Å; P159-L162 HydrophobicContact CG-CG 3.88Å; P159-L162 PolarHBondContact O-N 3.32Å
160	S	53.5	Low	57	Low	82 Å²	82	99.9 Å²	99.9	57%	0.573	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-17.1	-177.6	-44.5	0	0	0	0	111.7	P158 L162 Q163	P158-S160 PolarHBondContact O-N 3.12Å; S160-L162 VanDerWaalsContact C-N 3.32Å; S160-L162 PolarHBondContact O-N 2.86Å; S160-Q163 CarbonylContact O-C 3.52Å; S160-Q163 PolarHBondContact O-N 3.32Å
161	F	59.8	Low	59	Low	41 Å²	41	101.6 Å²	101.6	18%	0.18	53%	0.526	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-20.9	173.8	62.7	-112.1	0	0	0	115.1	P159 L227 Q228 L277 T278	P159-F161 HydrophobicContact CB-CD1 3.36Å; P159-F161 HydrophobicContact CB-CD2 3.85Å; P159-F161 HydrophobicContact CB-CE1 2.99Å; P159-F161 HydrophobicContact CB-CE2 3.49Å; P159-F161 VanDerWaalsContact CB-CE2 3.49Å; P159-F161 HydrophobicContact CB-CG 3.79Å; P159-F161 HydrophobicContact CB-CZ 3.06Å; P159-F161 HydrophobicContact CG-CE1 4.1Å; P159-F161 HydrophobicContact CG-CE2 3.88Å; P159-F161 HydrophobicContact CG-CZ 3.67Å; P159-F161 PolarHBondContact O-N 2.72Å; F161-L227 HydrophobicContact CB-CB 4.23Å; F161-L227 PolarHBondContact O-N 3.46Å; F161-L227 VanDerWaalsContact O-N 3.1Å; F161-Q228 HydrophobicContact CD2-CB 4.16Å; F161-Q228 HydrophobicContact CE2-CB 3.96Å; F161-Q228 HydrophobicContact CE2-CG 4.41Å; F161-L277 HydrophobicContact CB-CD2 3.93Å; F161-L277 HydrophobicContact CD1-CD2 4.08Å; F161-L277 HydrophobicContact CD1-CG 4.5Å; F161-L277 HydrophobicContact CD2-CD2 4.19Å; F161-L277 HydrophobicContact CG-CD2 3.85Å; F161-T278 HydrophobicContact CE1-CG2 4.43Å
162	L	57	Low	60.9	Low	54 Å²	54	91.7 Å²	91.7	28%	0.283	48%	0.483	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.1	-24.1	171.5	-64.4	-177.2	0	0	0	112	P159 S160 M164 R225	P159-L162 HydrophobicContact CB-CG 4.46Å; P159-L162 HydrophobicContact CG-CD1 3.69Å; P159-L162 HydrophobicContact CG-CG 3.88Å; P159-L162 PolarHBondContact O-N 3.32Å; S160-L162 VanDerWaalsContact C-N 3.32Å; S160-L162 PolarHBondContact O-N 2.86Å; L162-M164 VanDerWaalsContact C-N 3.33Å; L162-R225 HydrophobicContact CD2-CB 4.47Å; L162-R225 HydrophobicContact CD2-CG 3.96Å
163	Q	60.9	Low	62.9	Low	158 Å²	158	88.9 Å²	88.9	74%	0.738	46%	0.463	S	S	*	.	S	Bend	trans	-98.1	31.6	179.3	-67.3	-175.5	-19.2	0	0	112	S160	S160-Q163 CarbonylContact O-C 3.52Å; S160-Q163 PolarHBondContact O-N 3.32Å
164	M	65.4	Low	64.9	Low	69 Å²	69	87.1 Å²	87.1	34%	0.34	46%	0.458	S	S	.	.			trans	-75.9	140.3	175.1	-77.7	-62.1	-154	0	0	111.4	L162 L227 P283	L162-M164 VanDerWaalsContact C-N 3.33Å; M164-L227 HydrophobicContact CE-CD1 3.43Å; M164-L227 VanDerWaalsContact CE-CD1 3.43Å; M164-L227 HydrophobicContact CG-CD1 3.65Å; M164-L227 HydrophobicContact CG-CG 3.91Å; M164-L227 HydrophobicContact SD-CD1 4.33Å; M164-P283 HydrophobicContact CE-CG 4.33Å
165	N	68	Low	67	Low	98 Å²	98	80.3 Å²	80.3	52%	0.524	44%	0.435	S	S	.	.			trans	-61.7	124	175.1	-174.2	-25.1	0	0	0	109	T167 F168	N165-T167 PolarHBondContact ND2-OG1 2.95Å; N165-T167 PolarHBondContact O-N 2.52Å; N165-T167 PolarHBondContact OD1-N 2.9Å; N165-T167 VanDerWaalsContact OD1-N 3.08Å; N165-T167 PolarHBondContact OD1-OG1 3.02Å; N165-F168 VanDerWaalsContact O-CB 3.3Å; N165-F168 WeakPolarHBondContact O-CB 3.33Å; N165-F168 PolarHBondContact O-N 2.81Å
166	P	69.5	Low	69.2	Low	79 Å²	79	72.6 Å²	72.6	51%	0.513	40%	0.401	S	S	.	.	H	α-helix	trans	-55.6	-26.9	-178.8	21.7	-33.9	0	0	0	113.2	F168 M169 S170	P166-F168 VanDerWaalsContact C-N 3.26Å; P166-F168 PolarHBondContact O-N 3.39Å; P166-M169 PolarHBondContact O-N 3.35Å; P166-S170 PolarHBondContact O-N 2.79Å; P166-S170 VanDerWaalsContact O-N 3.17Å; P166-S170 PolarHBondContact O-OG 2.79Å
167	T	77.8	Confident	71.3	Confident	75 Å²	75	68.5 Å²	68.5	46%	0.46	37%	0.372	S	S	.	.	H	α-helix	trans	-61.6	-30.2	175	54.1	0	0	0	0	113.5	N165 M169 S170 N171	N165-T167 PolarHBondContact ND2-OG1 2.95Å; N165-T167 PolarHBondContact O-N 2.52Å; N165-T167 PolarHBondContact OD1-N 2.9Å; N165-T167 VanDerWaalsContact OD1-N 3.08Å; N165-T167 PolarHBondContact OD1-OG1 3.02Å; T167-M169 PolarHBondContact O-N 3.36Å; T167-S170 PolarHBondContact O-N 3.48Å; T167-N171 WeakPolarHBondContact O-CB 3.29Å; T167-N171 VanDerWaalsContact O-CG 3.26Å; T167-N171 PolarHBondContact O-N 3.18Å; T167-N171 PolarHBondContact O-ND2 3.41Å
168	F	80.2	Confident	73.5	Confident	58 Å²	58	72.3 Å²	72.3	25%	0.254	38%	0.383	S	S	.	.	H	α-helix	trans	-60.9	-46.9	176.4	178.2	-92.4	0	0	0	111.2	N165 P166 N171 M172 L227 P283 Q284	N165-F168 VanDerWaalsContact O-CB 3.3Å; N165-F168 WeakPolarHBondContact O-CB 3.33Å; N165-F168 PolarHBondContact O-N 2.81Å; P166-F168 VanDerWaalsContact C-N 3.26Å; P166-F168 PolarHBondContact O-N 3.39Å; F168-N171 PolarHBondContact O-N 3.09Å; F168-M172 HydrophobicContact CD1-SD 4.4Å; F168-M172 HydrophobicContact CE1-SD 3.69Å; F168-M172 HydrophobicContact CZ-SD 4.3Å; F168-M172 WeakPolarHBondContact O-CB 3.41Å; F168-M172 PolarHBondContact O-N 3.4Å; F168-L227 HydrophobicContact CD1-CD2 4.22Å; F168-L227 HydrophobicContact CE1-CD2 3.86Å; F168-P283 HydrophobicContact CZ-CG 4.39Å; F168-Q284 HydrophobicContact CE2-CG 4.45Å; F168-Q284 HydrophobicContact CZ-CG 3.93Å
169	M	75.9	Confident	75.5	Confident	9 Å²	9	72 Å²	72	4%	0.044	37%	0.373	C	S	.	.	H	α-helix	trans	-66.4	-41.6	177.1	-66.1	-170.6	-66.1	0	0	111.4	P166 T167 N171 M172 L173 I195 W224	P166-M169 PolarHBondContact O-N 3.35Å; T167-M169 PolarHBondContact O-N 3.36Å; M169-N171 PolarHBondContact O-N 3.18Å; M169-M172 PolarHBondContact O-N 3.35Å; M169-L173 VanDerWaalsContact O-CG 3.31Å; M169-L173 WeakPolarHBondContact O-CG 2.98Å; M169-L173 PolarHBondContact O-N 3.07Å; M169-I195 HydrophobicContact CE-CD1 3.26Å; M169-I195 HydrophobicContact CE-CG1 4.07Å; M169-I195 HydrophobicContact SD-CD1 4.11Å; M169-W224 HydrophobicContact SD-CE3 3.96Å; M169-W224 HydrophobicContact SD-CZ3 4.48Å
170	S	79.1	Confident	77.2	Confident	73 Å²	73	70.7 Å²	70.7	51%	0.51	36%	0.362	S	S	.	.	H	α-helix	trans	-60.6	-33	177.5	-59.8	0	0	0	0	113.1	P166 T167 P174	P166-S170 PolarHBondContact O-N 2.79Å; P166-S170 VanDerWaalsContact O-N 3.17Å; P166-S170 PolarHBondContact O-OG 2.79Å; T167-S170 PolarHBondContact O-N 3.48Å; S170-P174 WeakPolarHBondContact O-CD 3.42Å; S170-P174 VanDerWaalsContact O-CG 3.23Å; S170-P174 WeakPolarHBondContact O-CG 3.5Å
171	N	84.8	Confident	78.7	Confident	124 Å²	124	70.7 Å²	70.7	66%	0.663	36%	0.36	S	S	*	.	H	α-helix	trans	-82.5	-33.5	175.7	-67.3	-21.7	0	0	0	112.3	T167 F168 M169	T167-N171 WeakPolarHBondContact O-CB 3.29Å; T167-N171 VanDerWaalsContact O-CG 3.26Å; T167-N171 PolarHBondContact O-N 3.18Å; T167-N171 PolarHBondContact O-ND2 3.41Å; F168-N171 PolarHBondContact O-N 3.09Å; M169-N171 PolarHBondContact O-N 3.18Å
172	M	85.4	Confident	79.9	Confident	4 Å²	4	70 Å²	70	2%	0.02	37%	0.365	C	S	.	.	H	α-helix	trans	-73.7	-43.5	-176.6	-174.9	-179.3	-168.1	0	0	112.8	F168 M169 F175 M176 Q284 V287	F168-M172 HydrophobicContact CD1-SD 4.4Å; F168-M172 HydrophobicContact CE1-SD 3.69Å; F168-M172 HydrophobicContact CZ-SD 4.3Å; F168-M172 WeakPolarHBondContact O-CB 3.41Å; F168-M172 PolarHBondContact O-N 3.4Å; M169-M172 PolarHBondContact O-N 3.35Å; M172-F175 WeakPolarHBondContact O-CB 3.28Å; M172-F175 PolarHBondContact O-N 2.88Å; M172-F175 VanDerWaalsContact O-N 3.12Å; M172-M176 HydrophobicContact CE-SD 4.47Å; M172-M176 HydrophobicContact CG-CG 4.29Å; M172-M176 WeakPolarHBondContact O-CG 3.07Å; M172-M176 PolarHBondContact O-N 3.28Å; M172-Q284 HydrophobicContact CE-CB 4.35Å; M172-Q284 HydrophobicContact CE-CG 4.41Å; M172-Q284 VanDerWaalsContact CE-OE1 3.31Å; M172-V287 HydrophobicContact CE-CB 3.22Å; M172-V287 HydrophobicContact CE-CG1 3.3Å; M172-V287 HydrophobicContact CE-CG2 3.63Å; M172-V287 HydrophobicContact SD-CB 4.32Å; M172-V287 HydrophobicContact SD-CG1 4.12Å; M172-V287 HydrophobicContact SD-CG2 4.23Å
173	L	87.6	Confident	81.4	Confident	9 Å²	9	67.7 Å²	67.7	5%	0.047	35%	0.353	C	S	.	.	H	α-helix	trans	-63	-43.2	-174.9	-66.6	166.5	0	0	0	113.3	M169 F175 M176 Q177 I185 T187 L197 F291	M169-L173 VanDerWaalsContact O-CG 3.31Å; M169-L173 WeakPolarHBondContact O-CG 2.98Å; M169-L173 PolarHBondContact O-N 3.07Å; L173-F175 VanDerWaalsContact C-N 3.29Å; L173-F175 PolarHBondContact O-N 3.03Å; L173-M176 WeakPolarHBondContact O-CB 3.38Å; L173-M176 PolarHBondContact O-N 2.89Å; L173-Q177 PolarHBondContact O-N 3.17Å; L173-I185 HydrophobicContact CD2-CG2 4.33Å; L173-T187 HydrophobicContact CD1-CG2 3.5Å; L173-T187 VanDerWaalsContact CD1-CG2 3.5Å; L173-L197 HydrophobicContact CD1-CD2 3.67Å; L173-L197 HydrophobicContact CD2-CD1 3.89Å; L173-L197 HydrophobicContact CD2-CD2 4.23Å; L173-F291 HydrophobicContact CD2-CE2 4.2Å; L173-F291 HydrophobicContact CD2-CZ 3.95Å
174	P	87.1	Confident	82.8	Confident	64 Å²	64	63.7 Å²	63.7	42%	0.416	33%	0.334	S	S	.	.	H	α-helix	trans	-61.9	-35.7	172.2	-23.6	34.7	0	0	0	113	S170 Q177 R178	S170-P174 WeakPolarHBondContact O-CD 3.42Å; S170-P174 VanDerWaalsContact O-CG 3.23Å; S170-P174 WeakPolarHBondContact O-CG 3.5Å; P174-Q177 PolarHBondContact O-N 2.94Å; P174-R178 WeakPolarHBondContact O-CG 3.35Å; P174-R178 PolarHBondContact O-N 3.21Å
175	F	88.4	Confident	84.1	Confident	99 Å²	99	61 Å²	61	43%	0.434	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-44.6	174.3	179.7	-86.9	0	0	0	111	M172 L173 Q177 R178 Q179	M172-F175 WeakPolarHBondContact O-CB 3.28Å; M172-F175 PolarHBondContact O-N 2.88Å; M172-F175 VanDerWaalsContact O-N 3.12Å; L173-F175 VanDerWaalsContact C-N 3.29Å; L173-F175 PolarHBondContact O-N 3.03Å; F175-Q177 VanDerWaalsContact C-N 3.35Å; F175-Q177 PolarHBondContact O-N 3.3Å; F175-R178 PolarHBondContact O-N 3.43Å; F175-Q179 PolarHBondContact O-N 3.35Å
176	M	87.9	Confident	85.1	Confident	1 Å²	1	59 Å²	59	1%	0.005	31%	0.312	C	S	.	.	H	α-helix	trans	-60.4	-43.6	175.3	-62.9	-48.3	-68	0	0	111.9	M172 L173 R178 Q179 Y180 I185 V287 R288 F291	M172-M176 HydrophobicContact CE-SD 4.47Å; M172-M176 HydrophobicContact CG-CG 4.29Å; M172-M176 WeakPolarHBondContact O-CG 3.07Å; M172-M176 PolarHBondContact O-N 3.28Å; L173-M176 WeakPolarHBondContact O-CB 3.38Å; L173-M176 PolarHBondContact O-N 2.89Å; M176-R178 VanDerWaalsContact C-N 3.32Å; M176-R178 PolarHBondContact O-N 3.28Å; M176-Q179 PolarHBondContact O-N 3.39Å; M176-Y180 HydrophobicContact CE-CD2 4.24Å; M176-Y180 HydrophobicContact CE-CE2 3.57Å; M176-Y180 WeakPolarHBondContact O-CD2 3.12Å; M176-Y180 PolarHBondContact O-N 3.13Å; M176-I185 HydrophobicContact CB-CD1 4.18Å; M176-V287 HydrophobicContact CE-CG1 4.44Å; M176-V287 HydrophobicContact CG-CG1 4.45Å; M176-R288 VanDerWaalsContact CE-CA 3.49Å; M176-R288 HydrophobicContact CE-CB 4.12Å; M176-R288 HydrophobicContact CE-CG 3.66Å; M176-R288 HydrophobicContact SD-CG 3.77Å; M176-F291 HydrophobicContact CB-CD2 4.26Å; M176-F291 HydrophobicContact CB-CE2 4.44Å; M176-F291 HydrophobicContact CE-CB 3.68Å; M176-F291 HydrophobicContact CE-CD2 3.6Å; M176-F291 HydrophobicContact CE-CG 3.98Å; M176-F291 HydrophobicContact CG-CD2 4Å; M176-F291 HydrophobicContact CG-CE2 4.16Å
177	Q	88.1	Confident	86.1	Confident	67 Å²	67	58.9 Å²	58.9	31%	0.313	31%	0.31	S	S	.	.	H	α-helix	trans	-63.5	-35.7	178.5	179.2	161	-28.4	0	0	112.8	L173 P174 F175 I185	L173-Q177 PolarHBondContact O-N 3.17Å; P174-Q177 PolarHBondContact O-N 2.94Å; F175-Q177 VanDerWaalsContact C-N 3.35Å; F175-Q177 PolarHBondContact O-N 3.3Å; Q177-I185 HydrophobicContact CB-CD1 4.38Å; Q177-I185 PolarHBondContact OE1-O 3.46Å
178	R	88.2	Confident	86.6	Confident	217 Å²	217	57.6 Å²	57.6	82%	0.819	30%	0.3	S	S	*	.	H	α-helix	trans	-70.4	-34.5	174.5	-69.9	176	-174.1	-176.8	2.2	112.7	P174 F175 M176	P174-R178 WeakPolarHBondContact O-CG 3.35Å; P174-R178 PolarHBondContact O-N 3.21Å; F175-R178 PolarHBondContact O-N 3.43Å; M176-R178 VanDerWaalsContact C-N 3.32Å; M176-R178 PolarHBondContact O-N 3.28Å
179	Q	88.5	Confident	86.8	Confident	81 Å²	81	59.5 Å²	59.5	38%	0.379	32%	0.318	S	S	.	.	H	α-helix	trans	-72.1	-30.3	-178.1	-172.6	176.1	-5.2	0	0	112.9	F175 M176 P181	F175-Q179 PolarHBondContact O-N 3.35Å; M176-Q179 PolarHBondContact O-N 3.39Å; Q179-P181 WeakPolarHBondContact O-CD 2.91Å
180	Y	88.4	Confident	87.1	Confident	23 Å²	23	66.1 Å²	66.1	9%	0.09	34%	0.342	C	S	.	.	S	Bend	trans	-118.9	85.6	-176.6	-61.5	-78.4	0	0	0	111.3	M176 G182 L183 R288 F291 S292 Y295	M176-Y180 HydrophobicContact CE-CD2 4.24Å; M176-Y180 HydrophobicContact CE-CE2 3.57Å; M176-Y180 WeakPolarHBondContact O-CD2 3.12Å; M176-Y180 PolarHBondContact O-N 3.13Å; Y180-G182 PolarHBondContact O-N 3.11Å; Y180-L183 HydrophobicContact CD2-CD1 4.32Å; Y180-L183 HydrophobicContact CG-CD1 3.99Å; Y180-L183 PolarHBondContact O-N 3.48Å; Y180-R288 PolarHBondContact OH-O 3.29Å; Y180-F291 HydrophobicContact CD2-CB 4.32Å; Y180-F291 HydrophobicContact CE2-CB 4.16Å; Y180-S292 WeakPolarHBondContact OH-CB 3.49Å; Y180-Y295 AromaticContact CD1-CD1 3.71Å; Y180-Y295 HydrophobicContact CD1-CD1 3.71Å; Y180-Y295 HydrophobicContact CD1-CD2 4.25Å; Y180-Y295 HydrophobicContact CD1-CE1 4.17Å; Y180-Y295 AromaticContact CD1-CG 3.71Å; Y180-Y295 HydrophobicContact CD1-CG 3.71Å; Y180-Y295 HydrophobicContact CE1-CD1 4.34Å; Y180-Y295 HydrophobicContact CG-CG 4.37Å
181	P	84.2	Confident	87.1	Confident	81 Å²	81	66 Å²	66	53%	0.526	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	120.6	-179.8	26.3	-34	0	0	0	110.5	Q179 V204 Y295	Q179-P181 WeakPolarHBondContact O-CD 2.91Å; P181-V204 WeakPolarHBondContact O-CG2 3.2Å; P181-Y295 WeakPolarHBondContact O-CE2 3.36Å; P181-Y295 PolarHBondContact O-OH 3.33Å
182	G	84.9	Confident	86.5	Confident	27 Å²	27	72.3 Å²	72.3	28%	0.278	37%	0.368	S	S	.	.	T	Hydrogen-bonded Turn	trans	111.7	-15.3	-174.4	0	0	0	0	0	113.8	Y180 R202	Y180-G182 PolarHBondContact O-N 3.11Å; G182-R202 PolarHBondContact O-N 3.28Å
183	L	89.7	Confident	86	Confident	6 Å²	6	74.7 Å²	74.7	3%	0.031	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	121.4	164.4	-62.6	-173	0	0	0	109.5	Y180 V199 V201 F291 Y295	Y180-L183 HydrophobicContact CD2-CD1 4.32Å; Y180-L183 HydrophobicContact CG-CD1 3.99Å; Y180-L183 PolarHBondContact O-N 3.48Å; L183-V199 HydrophobicContact CD2-CG1 4.33Å; L183-V201 HydrophobicContact CD2-CB 4.12Å; L183-V201 HydrophobicContact CD2-CG1 4.15Å; L183-V201 HydrophobicContact CD2-CG2 3.36Å; L183-F291 HydrophobicContact CD1-CB 4.39Å; L183-F291 HydrophobicContact CD1-CD1 4.25Å; L183-Y295 HydrophobicContact CD1-CD2 4.33Å; L183-Y295 HydrophobicContact CD2-CD2 4.21Å; L183-Y295 HydrophobicContact CG-CD2 3.89Å
184	H	90.3	Very high	85.9	Confident	73 Å²	73	75.9 Å²	75.9	34%	0.338	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.2	116.4	169.9	-177.7	-91.8	0	0	0	108.8	T186 T200	H184-T186 WeakPolarHBondContact CE1-CG2 3.44Å; H184-T200 PolarHBondContact N-O 3.27Å; H184-T200 PolarHBondContact O-N 3.2Å
185	I	91.7	Very high	86	Confident	13 Å²	13	74.1 Å²	74.1	7%	0.067	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	118.1	-175.3	-55.6	170.9	0	0	0	107.9	L173 M176 Q177 L197 V199 F291	L173-I185 HydrophobicContact CD2-CG2 4.33Å; M176-I185 HydrophobicContact CB-CD1 4.18Å; Q177-I185 HydrophobicContact CB-CD1 4.38Å; Q177-I185 PolarHBondContact OE1-O 3.46Å; I185-L197 HydrophobicContact CG2-CD2 4.31Å; I185-V199 HydrophobicContact CG1-CG1 4.4Å; I185-V199 HydrophobicContact CG1-CG2 4.43Å; I185-V199 HydrophobicContact CG2-CG2 4.49Å; I185-F291 HydrophobicContact CD1-CD1 4.06Å; I185-F291 HydrophobicContact CD1-CE1 3.51Å; I185-F291 HydrophobicContact CD1-CZ 3.82Å; I185-F291 HydrophobicContact CG1-CE1 4.14Å
186	T	90.3	Very high	86.1	Confident	56 Å²	56	69.5 Å²	69.5	34%	0.344	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	133.4	170.5	49.7	0	0	0	0	109.8	H184 L197 M198	H184-T186 WeakPolarHBondContact CE1-CG2 3.44Å; T186-L197 WeakPolarHBondContact O-CA 3.03Å; T186-M198 PolarHBondContact N-O 3.18Å; T186-M198 PolarHBondContact O-N 3.49Å; T186-M198 WeakPolarHBondContact OG1-CB 3.47Å; T186-M198 PolarHBondContact OG1-O 3.46Å
187	T	89.2	Confident	86.3	Confident	76 Å²	76	69.5 Å²	69.5	47%	0.466	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	127.6	-177	60.4	0	0	0	0	109.2	L173 L197	L173-T187 HydrophobicContact CD1-CG2 3.5Å; L173-T187 VanDerWaalsContact CD1-CG2 3.5Å; T187-L197 HydrophobicContact CG2-CD2 3.63Å
188	I	88	Confident	86.5	Confident	49 Å²	49	66.5 Å²	66.5	25%	0.251	35%	0.345	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	104.5	173.5	-57.2	171.6	0	0	0	106.1	R190 L196 M198	I188-R190 PolarHBondContact O-N 2.94Å; I188-L196 HydrophobicContact CB-CB 4.26Å; I188-L196 HydrophobicContact CD1-CD2 4.28Å; I188-L196 PolarHBondContact N-O 3.39Å; I188-L196 PolarHBondContact O-N 3.23Å; I188-M198 HydrophobicContact CD1-CG 3.83Å
189	P	84.6	Confident	86.7	Confident	98 Å²	98	56.1 Å²	56.1	64%	0.636	31%	0.306	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.7	133.5	176.8	26.7	-32.5	0	0	0	109.7
190	R	82.4	Confident	86.9	Confident	147 Å²	147	53 Å²	53	56%	0.555	29%	0.293	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-123.7	86.9	177.3	-63.7	-63.1	-66.3	174.1	-1.2	107.6	I188 T194 L196	I188-R190 PolarHBondContact O-N 2.94Å; R190-T194 CarbonylContact C-O 3.6Å; R190-T194 WeakPolarHBondContact CA-O 3.29Å; R190-T194 PolarHBondContact N-O 3.26Å; R190-T194 PolarHBondContact O-OG1 3.26Å; R190-L196 HydrophobicContact CG-CB 4.06Å
191	G	79.3	Confident	87.1	Confident	72 Å²	72	52 Å²	52	74%	0.742	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	73.4	-157.3	-178.6	0	0	0	0	0	114.1
192	R	72.4	Confident	87.3	Confident	256 Å²	256	52.9 Å²	52.9	97%	0.966	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	-33.2	-164.9	-72.1	-174.5	177.9	156	0.1	115.4
193	S	75.8	Confident	87.1	Confident	53 Å²	53	56.4 Å²	56.4	37%	0.371	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-134.3	-2.7	-173.4	56.9	0	0	0	0	114.2	R225 G226	S193-R225 WeakPolarHBondContact O-CA 3.27Å; S193-G226 PolarHBondContact O-N 2.87Å
194	T	84.3	Confident	86.3	Confident	35 Å²	35	59 Å²	59	22%	0.215	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	133.4	178.5	45.9	0	0	0	0	111.6	R190 W224 R225	R190-T194 CarbonylContact C-O 3.6Å; R190-T194 WeakPolarHBondContact CA-O 3.29Å; R190-T194 PolarHBondContact N-O 3.26Å; R190-T194 PolarHBondContact O-OG1 3.26Å; T194-W224 CarbonylContact C-O 3.59Å; T194-W224 WeakPolarHBondContact CA-O 3.31Å; T194-R225 HydrophobicContact CG2-CB 3.83Å; T194-R225 HydrophobicContact CG2-CG 3.73Å
195	I	89.1	Confident	85.2	Confident	26 Å²	26	58.8 Å²	58.8	13%	0.133	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	131.2	177.4	-58	-175.5	0	0	0	107.7	M169 L197 W224	M169-I195 HydrophobicContact CE-CD1 3.26Å; M169-I195 HydrophobicContact CE-CG1 4.07Å; M169-I195 HydrophobicContact SD-CD1 4.11Å; I195-L197 HydrophobicContact CG2-CD2 3.79Å; I195-W224 PolarHBondContact N-O 3.15Å; I195-W224 PolarHBondContact O-N 3Å
196	L	90.8	Very high	84	Confident	2 Å²	2	61.9 Å²	61.9	1%	0.01	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	121.1	169.3	178.4	69.2	0	0	0	108.7	I188 R190 M198 A221 L248 L250	I188-L196 HydrophobicContact CB-CB 4.26Å; I188-L196 HydrophobicContact CD1-CD2 4.28Å; I188-L196 PolarHBondContact N-O 3.39Å; I188-L196 PolarHBondContact O-N 3.23Å; R190-L196 HydrophobicContact CG-CB 4.06Å; L196-M198 HydrophobicContact CD1-SD 4.41Å; L196-M198 HydrophobicContact CD2-SD 3.89Å; L196-M198 HydrophobicContact CG-SD 3.99Å; L196-A221 HydrophobicContact CD1-CB 4.27Å; L196-L248 HydrophobicContact CD2-CD2 3.41Å; L196-L248 VanDerWaalsContact CD2-CD2 3.41Å; L196-L250 HydrophobicContact CD1-CD1 4.27Å; L196-L250 HydrophobicContact CD1-CD2 4.12Å; L196-L250 HydrophobicContact CD2-CD2 4.27Å
197	L	92.1	Very high	83	Confident	1 Å²	1	67.8 Å²	67.8	1%	0.005	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	121.7	173.5	-54.9	-179.1	0	0	0	108.8	L173 I185 T186 T187 I195 V199 A221 V222 W224 F291	L173-L197 HydrophobicContact CD1-CD2 3.67Å; L173-L197 HydrophobicContact CD2-CD1 3.89Å; L173-L197 HydrophobicContact CD2-CD2 4.23Å; I185-L197 HydrophobicContact CG2-CD2 4.31Å; T186-L197 WeakPolarHBondContact O-CA 3.03Å; T187-L197 HydrophobicContact CG2-CD2 3.63Å; I195-L197 HydrophobicContact CG2-CD2 3.79Å; L197-V199 HydrophobicContact CB-CG2 4.21Å; L197-A221 CarbonylContact O-C 3.59Å; L197-A221 WeakPolarHBondContact O-CA 3.24Å; L197-V222 HydrophobicContact CB-CB 4.32Å; L197-V222 PolarHBondContact N-O 3.43Å; L197-V222 PolarHBondContact O-N 2.9Å; L197-W224 HydrophobicContact CD1-CD2 3.82Å; L197-W224 VanDerWaalsContact CD1-CE2 3.45Å; L197-W224 HydrophobicContact CD1-CG 3.98Å; L197-W224 HydrophobicContact CD1-CZ2 3.93Å; L197-W224 HydrophobicContact CG-CG 4.4Å; L197-F291 HydrophobicContact CD1-CZ 4.22Å
198	M	92.3	Very high	82	Confident	4 Å²	4	68.6 Å²	68.6	2%	0.02	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	105	167.6	-47.3	-69.4	-65	0	0	107.4	T186 I188 L196 E219 A221 F241	T186-M198 PolarHBondContact N-O 3.18Å; T186-M198 PolarHBondContact O-N 3.49Å; T186-M198 WeakPolarHBondContact OG1-CB 3.47Å; T186-M198 PolarHBondContact OG1-O 3.46Å; I188-M198 HydrophobicContact CD1-CG 3.83Å; L196-M198 HydrophobicContact CD1-SD 4.41Å; L196-M198 HydrophobicContact CD2-SD 3.89Å; L196-M198 HydrophobicContact CG-SD 3.99Å; M198-E219 HydrophobicContact CE-CG 4.37Å; M198-E219 WeakPolarHBondContact CE-OE1 3.3Å; M198-A221 HydrophobicContact CE-CB 4.25Å; M198-A221 HydrophobicContact SD-CB 3.82Å; M198-F241 HydrophobicContact CE-CB 3.83Å; M198-F241 HydrophobicContact CE-CD2 3.21Å; M198-F241 HydrophobicContact CE-CE2 3.88Å; M198-F241 HydrophobicContact CE-CG 3.65Å
199	V	93.1	Very high	81.1	Confident	0 Å²	0	69.9 Å²	69.9	0%	0	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	106.2	-177.6	-174.8	0	0	0	0	107.8	L183 I185 L197 V201 E219 A220 V222 F291 L294	L183-V199 HydrophobicContact CD2-CG1 4.33Å; I185-V199 HydrophobicContact CG1-CG1 4.4Å; I185-V199 HydrophobicContact CG1-CG2 4.43Å; I185-V199 HydrophobicContact CG2-CG2 4.49Å; L197-V199 HydrophobicContact CB-CG2 4.21Å; V199-V201 HydrophobicContact CG1-CG2 4.41Å; V199-E219 WeakPolarHBondContact O-CA 3.34Å; V199-A220 HydrophobicContact CB-CB 4.39Å; V199-A220 PolarHBondContact N-O 3.28Å; V199-A220 PolarHBondContact O-N 3.33Å; V199-V222 HydrophobicContact CG2-CG2 4.41Å; V199-F291 HydrophobicContact CG2-CE1 4Å; V199-L294 HydrophobicContact CG1-CD1 4.48Å
200	T	92.2	Very high	80.5	Confident	16 Å²	16	70.8 Å²	70.8	10%	0.098	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	119.9	173.5	-54.7	0	0	0	0	109	H184 R202 K216	H184-T200 PolarHBondContact N-O 3.27Å; H184-T200 PolarHBondContact O-N 3.2Å; T200-R202 HydrophobicContact CG2-CG 4.04Å; T200-K216 HydrophobicContact CG2-CD 4.26Å; T200-K216 HydrophobicContact CG2-CG 3.95Å
201	V	91.4	Very high	80.2	Confident	0 Å²	0	68.5 Å²	68.5	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	117	175	179.1	0	0	0	0	108.3	L183 V199 I217 F218 R298	L183-V201 HydrophobicContact CD2-CB 4.12Å; L183-V201 HydrophobicContact CD2-CG1 4.15Å; L183-V201 HydrophobicContact CD2-CG2 3.36Å; V199-V201 HydrophobicContact CG1-CG2 4.41Å; V201-I217 HydrophobicContact CG1-CD1 4.41Å; V201-I217 PolarHBondContact O-N 3.4Å; V201-F218 HydrophobicContact CB-CD1 4.12Å; V201-F218 HydrophobicContact CB-CD2 4.45Å; V201-F218 HydrophobicContact CB-CE1 3.74Å; V201-F218 HydrophobicContact CB-CE2 4.16Å; V201-F218 HydrophobicContact CB-CG 4.46Å; V201-F218 HydrophobicContact CB-CZ 3.79Å; V201-F218 HydrophobicContact CG1-CD1 4.48Å; V201-F218 HydrophobicContact CG1-CE1 3.87Å; V201-F218 HydrophobicContact CG1-CZ 4.19Å; V201-F218 HydrophobicContact CG2-CD2 4.27Å; V201-F218 HydrophobicContact CG2-CE1 3.91Å; V201-F218 HydrophobicContact CG2-CE2 3.61Å; V201-F218 HydrophobicContact CG2-CZ 3.4Å; V201-F218 PolarHBondContact N-O 3.27Å; V201-R298 HydrophobicContact CG1-CB 4.22Å
202	R	89	Confident	79.8	Confident	101 Å²	101	72.4 Å²	72.4	38%	0.381	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	149.6	178	-57.9	-174.4	-178.3	179.1	-0.4	110.5	G182 T200 P214 S215	G182-R202 PolarHBondContact O-N 3.28Å; T200-R202 HydrophobicContact CG2-CG 4.04Å; R202-P214 HydrophobicContact CB-CB 4.21Å; R202-S215 WeakPolarHBondContact CA-O 3.46Å
203	Q	82	Confident	79.9	Confident	100 Å²	100	65 Å²	65	47%	0.467	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-70.2	134.4	168.9	-166.1	173.3	-12.5	0	0	109.1	P214 S215 I217	Q203-P214 VanDerWaalsContact O-CB 3.28Å; Q203-P214 WeakPolarHBondContact O-CB 3.45Å; Q203-S215 PolarHBondContact N-O 3.19Å; Q203-I217 HydrophobicContact CB-CD1 4Å; Q203-I217 HydrophobicContact CB-CG1 4.21Å
204	V	72.7	Confident	79.9	Confident	62 Å²	62	65.2 Å²	65.2	38%	0.376	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-68.8	132.1	172	-179.4	0	0	0	0	107.7	P181 S206	P181-V204 WeakPolarHBondContact O-CG2 3.2Å; V204-S206 PolarHBondContact O-N 2.92Å
205	P	66.9	Low	79.9	Confident	68 Å²	68	65.7 Å²	65.7	44%	0.442	38%	0.379	S	S	.	.	P	Polyproline II helix	trans	-56.4	129.5	177.1	21.4	-30.6	0	0	0	109.6
206	S	65.8	Low	79.9	Confident	77 Å²	77	67.3 Å²	67.3	54%	0.538	39%	0.385	S	S	.	.	P	Polyproline II helix	trans	-64.7	138.1	174.9	-179.4	0	0	0	0	109	V204 A208 D209	V204-S206 PolarHBondContact O-N 2.92Å; S206-A208 PolarHBondContact O-N 3.47Å; S206-A208 PolarHBondContact OG-N 2.97Å; S206-D209 CarbonylContact O-C 3.58Å; S206-D209 PolarHBondContact O-N 3.2Å; S206-D209 VanDerWaalsContact O-N 3.08Å
207	L	68.7	Low	79.8	Confident	180 Å²	180	67.8 Å²	67.8	94%	0.942	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.7	-25	173.7	-79.9	149.8	0	0	0	112.9
208	A	69	Low	79.8	Confident	93 Å²	93	67.9 Å²	67.9	77%	0.769	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.3	-22.6	-179	0	0	0	0	0	114.3	S206	S206-A208 PolarHBondContact O-N 3.47Å; S206-A208 PolarHBondContact OG-N 2.97Å
209	D	70.1	Confident	79.9	Confident	76 Å²	76	69.2 Å²	69.2	41%	0.406	39%	0.394	S	S	.	.			trans	-147.6	85.1	179.6	-172	2.9	0	0	0	110.8	S206 S211	S206-D209 CarbonylContact O-C 3.58Å; S206-D209 PolarHBondContact O-N 3.2Å; S206-D209 VanDerWaalsContact O-N 3.08Å; D209-S211 PolarHBondContact O-N 2.72Å; D209-S211 WeakPolarHBondContact OD1-CB 3.33Å; D209-S211 PolarHBondContact OD1-N 3.48Å; D209-S211 PolarHBondContact OD1-OG 2.78Å
210	P	70.2	Confident	79.9	Confident	117 Å²	117	69.2 Å²	69.2	76%	0.76	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-11.6	-179.5	28.8	-34.3	0	0	0	113.2	R212	P210-R212 VanDerWaalsContact C-N 3.34Å
211	S	76.4	Confident	79.9	Confident	99 Å²	99	68.5 Å²	68.5	69%	0.692	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-21.1	-179	76.5	0	0	0	0	113	D209	D209-S211 PolarHBondContact O-N 2.72Å; D209-S211 WeakPolarHBondContact OD1-CB 3.33Å; D209-S211 PolarHBondContact OD1-N 3.48Å; D209-S211 PolarHBondContact OD1-OG 2.78Å
212	R	71.7	Confident	80	Confident	155 Å²	155	68.5 Å²	68.5	59%	0.585	39%	0.39	S	S	*	.	S	Bend	trans	-77.5	125	-176.8	-173.7	174.3	175.8	166.3	-0.1	111.3	P210	P210-R212 VanDerWaalsContact C-N 3.34Å
213	P	73.3	Confident	80.1	Confident	100 Å²	100	65.5 Å²	65.5	65%	0.649	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-64.8	143.3	176	26.4	-33.7	0	0	0	110.9	S215	P213-S215 PolarHBondContact O-N 3.32Å; P213-S215 VanDerWaalsContact O-N 3.08Å
214	P	77.4	Confident	80.4	Confident	57 Å²	57	60.8 Å²	60.8	37%	0.37	36%	0.359	S	S	.	.	P	Polyproline II helix	trans	-59.9	116.7	179.3	24.3	-33.7	0	0	0	110.2	R202 Q203	R202-P214 HydrophobicContact CB-CB 4.21Å; Q203-P214 VanDerWaalsContact O-CB 3.28Å; Q203-P214 WeakPolarHBondContact O-CB 3.45Å
215	S	83.1	Confident	81.1	Confident	45 Å²	45	62.8 Å²	62.8	32%	0.315	36%	0.36	S	S	.	.	P	Polyproline II helix	trans	-77.5	134.8	-177.3	-58.1	0	0	0	0	110.5	R202 Q203 P213 I217	R202-S215 WeakPolarHBondContact CA-O 3.46Å; Q203-S215 PolarHBondContact N-O 3.19Å; P213-S215 PolarHBondContact O-N 3.32Å; P213-S215 VanDerWaalsContact O-N 3.08Å; S215-I217 PolarHBondContact O-N 3.04Å
216	K	88.8	Confident	81.8	Confident	60 Å²	60	59.7 Å²	59.7	26%	0.261	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	128.4	171.6	178.4	-179.4	173	-172.8	0	108.4	T200 E219 P237	T200-K216 HydrophobicContact CG2-CD 4.26Å; T200-K216 HydrophobicContact CG2-CG 3.95Å; K216-E219 WeakPolarHBondContact CE-OE2 3.44Å; K216-E219 IonicContact NZ-OE2 2.8Å; K216-E219 PolarHBondContact NZ-OE2 3.08Å; K216-P237 HydrophobicContact CB-CB 4.32Å; K216-P237 HydrophobicContact CD-CB 4.37Å; K216-P237 HydrophobicContact CG-CB 4.18Å; K216-P237 PolarHBondContact NZ-O 2.93Å; K216-P237 WeakPolarHBondContact O-CB 3.44Å
217	I	89.2	Confident	82.5	Confident	13 Å²	13	56.1 Å²	56.1	7%	0.067	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	-52.6	174.7	-56.4	173.5	0	0	0	108.6	V201 Q203 S215 P237 F259 R298 V300 F301	V201-I217 HydrophobicContact CG1-CD1 4.41Å; V201-I217 PolarHBondContact O-N 3.4Å; Q203-I217 HydrophobicContact CB-CD1 4Å; Q203-I217 HydrophobicContact CB-CG1 4.21Å; S215-I217 PolarHBondContact O-N 3.04Å; I217-P237 WeakPolarHBondContact O-CD 3.42Å; I217-F259 VanDerWaalsContact O-CZ 3.32Å; I217-F259 WeakPolarHBondContact O-CZ 3.44Å; I217-R298 HydrophobicContact CD1-CB 4.22Å; I217-R298 WeakPolarHBondContact CD1-O 3.47Å; I217-V300 HydrophobicContact CG2-CG1 4.38Å; I217-F301 HydrophobicContact CG2-CD2 4.46Å; I217-F301 HydrophobicContact CG2-CE2 4.02Å
218	F	93.1	Very high	83.2	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.009	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	167.2	175.5	66.4	-92.5	0	0	0	110.8	V201 A220 V234 K235 F259 Y297	V201-F218 HydrophobicContact CB-CD1 4.12Å; V201-F218 HydrophobicContact CB-CD2 4.45Å; V201-F218 HydrophobicContact CB-CE1 3.74Å; V201-F218 HydrophobicContact CB-CE2 4.16Å; V201-F218 HydrophobicContact CB-CG 4.46Å; V201-F218 HydrophobicContact CB-CZ 3.79Å; V201-F218 HydrophobicContact CG1-CD1 4.48Å; V201-F218 HydrophobicContact CG1-CE1 3.87Å; V201-F218 HydrophobicContact CG1-CZ 4.19Å; V201-F218 HydrophobicContact CG2-CD2 4.27Å; V201-F218 HydrophobicContact CG2-CE1 3.91Å; V201-F218 HydrophobicContact CG2-CE2 3.61Å; V201-F218 HydrophobicContact CG2-CZ 3.4Å; V201-F218 PolarHBondContact N-O 3.27Å; F218-A220 HydrophobicContact CD2-CB 4.39Å; F218-A220 HydrophobicContact CE2-CB 4.16Å; F218-V234 HydrophobicContact CB-CG1 3.87Å; F218-V234 HydrophobicContact CD2-CG1 3.38Å; F218-V234 HydrophobicContact CE2-CG1 4.06Å; F218-V234 HydrophobicContact CG-CG1 3.8Å; F218-K235 WeakPolarHBondContact CA-O 3.38Å; F218-K235 VanDerWaalsContact CB-O 3.26Å; F218-K235 WeakPolarHBondContact CB-O 3.33Å; F218-F259 HydrophobicContact CB-CD1 3.95Å; F218-F259 HydrophobicContact CB-CE1 3.56Å; F218-F259 HydrophobicContact CB-CZ 4.07Å; F218-F259 HydrophobicContact CD1-CE1 4.19Å; F218-F259 HydrophobicContact CG-CE1 4.19Å; F218-Y297 VanDerWaalsContact CE1-CB 3.5Å
219	E	93.1	Very high	84.1	Confident	32 Å²	32	45.7 Å²	45.7	15%	0.15	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	128.6	171.3	-165.4	173.9	159.6	0	0	109.3	M198 V199 K216 K235 F241	M198-E219 HydrophobicContact CE-CG 4.37Å; M198-E219 WeakPolarHBondContact CE-OE1 3.3Å; V199-E219 WeakPolarHBondContact O-CA 3.34Å; K216-E219 WeakPolarHBondContact CE-OE2 3.44Å; K216-E219 IonicContact NZ-OE2 2.8Å; K216-E219 PolarHBondContact NZ-OE2 3.08Å; E219-K235 PolarHBondContact N-O 3.4Å; E219-K235 PolarHBondContact O-N 3.41Å; E219-F241 HydrophobicContact CB-CE2 3.86Å; E219-F241 HydrophobicContact CG-CD2 4.19Å; E219-F241 HydrophobicContact CG-CE2 3.78Å; E219-F241 WeakPolarHBondContact O-CE2 3.46Å; E219-F241 WeakPolarHBondContact O-CZ 3.16Å
220	A	93.6	Very high	84.9	Confident	1 Å²	1	45.9 Å²	45.9	1%	0.008	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	124.7	175.5	0	0	0	0	0	109.3	V199 F218 V222 N233 V234	V199-A220 HydrophobicContact CB-CB 4.39Å; V199-A220 PolarHBondContact N-O 3.28Å; V199-A220 PolarHBondContact O-N 3.33Å; F218-A220 HydrophobicContact CD2-CB 4.39Å; F218-A220 HydrophobicContact CE2-CB 4.16Å; A220-V222 HydrophobicContact CB-CG2 4.29Å; A220-N233 CarbonylContact C-O 3.33Å; A220-N233 WeakPolarHBondContact CA-O 3.49Å; A220-V234 HydrophobicContact CB-CG2 4.01Å
221	A	93.5	Very high	85.8	Confident	0 Å²	0	43 Å²	43	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	120.5	167.2	0	0	0	0	0	107.9	L196 L197 M198 W231 A232 N233 F241 L250	L196-A221 HydrophobicContact CD1-CB 4.27Å; L197-A221 CarbonylContact O-C 3.59Å; L197-A221 WeakPolarHBondContact O-CA 3.24Å; M198-A221 HydrophobicContact CE-CB 4.25Å; M198-A221 HydrophobicContact SD-CB 3.82Å; A221-W231 HydrophobicContact CB-CZ3 3.98Å; A221-W231 WeakPolarHBondContact O-CZ3 3.43Å; A221-A232 CarbonylContact O-C 3.6Å; A221-A232 WeakPolarHBondContact O-CA 3.37Å; A221-A232 WeakPolarHBondContact O-CB 3.46Å; A221-N233 PolarHBondContact N-O 2.82Å; A221-N233 PolarHBondContact O-N 3.34Å; A221-F241 HydrophobicContact CB-CD1 3.8Å; A221-F241 HydrophobicContact CB-CD2 4.38Å; A221-F241 HydrophobicContact CB-CE1 3.44Å; A221-F241 VanDerWaalsContact CB-CE1 3.44Å; A221-F241 HydrophobicContact CB-CE2 4.04Å; A221-F241 HydrophobicContact CB-CG 4.26Å; A221-F241 HydrophobicContact CB-CZ 3.56Å; A221-L250 HydrophobicContact CB-CD2 3.83Å
222	V	93.2	Very high	86.5	Confident	1 Å²	1	38.3 Å²	38.3	1%	0.006	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	117.8	-176.9	-168.5	0	0	0	0	108.7	L197 V199 A220 I229 W231 A232 F290	L197-V222 HydrophobicContact CB-CB 4.32Å; L197-V222 PolarHBondContact N-O 3.43Å; L197-V222 PolarHBondContact O-N 2.9Å; V199-V222 HydrophobicContact CG2-CG2 4.41Å; A220-V222 HydrophobicContact CB-CG2 4.29Å; V222-I229 HydrophobicContact CG1-CD1 4.38Å; V222-I229 HydrophobicContact CG1-CG1 4.44Å; V222-I229 HydrophobicContact CG1-CG2 3.57Å; V222-W231 CarbonylContact C-O 3.6Å; V222-A232 HydrophobicContact CB-CB 4.33Å; V222-A232 HydrophobicContact CG1-CB 4.15Å; V222-A232 HydrophobicContact CG2-CB 4.06Å; V222-F290 HydrophobicContact CG1-CE1 4.14Å; V222-F290 HydrophobicContact CG1-CZ 3.93Å; V222-F290 HydrophobicContact CG2-CE1 4.32Å; V222-F290 HydrophobicContact CG2-CZ 4.16Å
223	L	91.5	Very high	87.6	Confident	37 Å²	37	31.3 Å²	31.3	19%	0.194	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	118.3	177.6	-176	67.1	0	0	0	109.9	E230 W231	L223-E230 HydrophobicContact CD2-CB 4.32Å; L223-E230 PolarHBondContact O-N 3.31Å; L223-W231 HydrophobicContact CB-CB 4.17Å; L223-W231 HydrophobicContact CB-CE3 4.35Å; L223-W231 PolarHBondContact N-O 3.21Å
224	W	88	Confident	88.6	Confident	2 Å²	2	26.5 Å²	26.5	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	142	176.4	-76.9	39.6	0	0	0	110	M169 T194 I195 L197 L227 Q228 I229 V287 F291	M169-W224 HydrophobicContact SD-CE3 3.96Å; M169-W224 HydrophobicContact SD-CZ3 4.48Å; T194-W224 CarbonylContact C-O 3.59Å; T194-W224 WeakPolarHBondContact CA-O 3.31Å; I195-W224 PolarHBondContact N-O 3.15Å; I195-W224 PolarHBondContact O-N 3Å; L197-W224 HydrophobicContact CD1-CD2 3.82Å; L197-W224 VanDerWaalsContact CD1-CE2 3.45Å; L197-W224 HydrophobicContact CD1-CG 3.98Å; L197-W224 HydrophobicContact CD1-CZ2 3.93Å; L197-W224 HydrophobicContact CG-CG 4.4Å; W224-L227 HydrophobicContact CZ3-CD2 4.35Å; W224-Q228 CarbonylContact C-O 3.59Å; W224-Q228 WeakPolarHBondContact CA-O 3.43Å; W224-I229 HydrophobicContact CZ2-CD1 4.5Å; W224-I229 HydrophobicContact CZ2-CG1 4.5Å; W224-V287 HydrophobicContact CH2-CB 4.31Å; W224-V287 HydrophobicContact CH2-CG1 3.64Å; W224-V287 HydrophobicContact CH2-CG2 3.69Å; W224-V287 HydrophobicContact CZ2-CG1 4.28Å; W224-V287 HydrophobicContact CZ3-CG2 4.29Å; W224-F291 HydrophobicContact CH2-CE2 4.29Å; W224-F291 HydrophobicContact CZ2-CE2 4.05Å; W224-F291 HydrophobicContact CZ2-CZ 4.31Å
225	R	85.7	Confident	89.4	Confident	103 Å²	103	24.1 Å²	24.1	39%	0.389	11%	0.113	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	104.8	165.7	-171.2	178.3	175.1	176.3	0	109.2	L162 S193 T194 L227 Q228 E230	L162-R225 HydrophobicContact CD2-CB 4.47Å; L162-R225 HydrophobicContact CD2-CG 3.96Å; S193-R225 WeakPolarHBondContact O-CA 3.27Å; T194-R225 HydrophobicContact CG2-CB 3.83Å; T194-R225 HydrophobicContact CG2-CG 3.73Å; R225-L227 PolarHBondContact O-N 2.75Å; R225-Q228 PolarHBondContact N-O 2.86Å; R225-Q228 PolarHBondContact O-N 3.02Å; R225-E230 HydrophobicContact CB-CG 3.94Å; R225-E230 WeakPolarHBondContact CD-OE1 3.17Å; R225-E230 IonicContact CZ-OE1 2.94Å; R225-E230 IonicContact NE-OE1 3.51Å; R225-E230 IonicContact NH1-OE1 3.02Å; R225-E230 PolarHBondContact NH1-OE1 2.89Å
226	G	81.8	Confident	89.8	Confident	4 Å²	4	22 Å²	22	4%	0.041	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	-123.3	-163.7	0	0	0	0	0	109.9	S193	S193-G226 PolarHBondContact O-N 2.87Å
227	L	81.4	Confident	89.7	Confident	1 Å²	1	21.3 Å²	21.3	1%	0.005	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-94.1	-2.3	174	-67.5	171.5	0	0	0	114.8	F161 M164 F168 W224 R225 F273 L277 P283	F161-L227 HydrophobicContact CB-CB 4.23Å; F161-L227 PolarHBondContact O-N 3.46Å; F161-L227 VanDerWaalsContact O-N 3.1Å; M164-L227 HydrophobicContact CE-CD1 3.43Å; M164-L227 VanDerWaalsContact CE-CD1 3.43Å; M164-L227 HydrophobicContact CG-CD1 3.65Å; M164-L227 HydrophobicContact CG-CG 3.91Å; M164-L227 HydrophobicContact SD-CD1 4.33Å; F168-L227 HydrophobicContact CD1-CD2 4.22Å; F168-L227 HydrophobicContact CE1-CD2 3.86Å; W224-L227 HydrophobicContact CZ3-CD2 4.35Å; R225-L227 PolarHBondContact O-N 2.75Å; L227-F273 VanDerWaalsContact O-CE1 3.22Å; L227-F273 WeakPolarHBondContact O-CE1 3.26Å; L227-F273 WeakPolarHBondContact O-CZ 3.4Å; L227-L277 HydrophobicContact CB-CD1 4.39Å; L227-L277 HydrophobicContact CB-CD2 4.02Å; L227-P283 HydrophobicContact CD1-CB 3.57Å; L227-P283 HydrophobicContact CD1-CG 4.1Å
228	Q	84.2	Confident	89.7	Confident	55 Å²	55	25.8 Å²	25.8	26%	0.257	12%	0.124	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	137.3	178.1	-167.3	-176.1	-34.5	0	0	109.9	F161 W224 R225 N274	F161-Q228 HydrophobicContact CD2-CB 4.16Å; F161-Q228 HydrophobicContact CE2-CB 3.96Å; F161-Q228 HydrophobicContact CE2-CG 4.41Å; W224-Q228 CarbonylContact C-O 3.59Å; W224-Q228 WeakPolarHBondContact CA-O 3.43Å; R225-Q228 PolarHBondContact N-O 2.86Å; R225-Q228 PolarHBondContact O-N 3.02Å; Q228-N274 WeakPolarHBondContact CG-OD1 3.49Å
229	I	87	Confident	89.5	Confident	0 Å²	0	26.2 Å²	26.2	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	114.8	167.7	-55.8	174.4	0	0	0	107.1	V222 W224 I270 F273 N274 F290	V222-I229 HydrophobicContact CG1-CD1 4.38Å; V222-I229 HydrophobicContact CG1-CG1 4.44Å; V222-I229 HydrophobicContact CG1-CG2 3.57Å; W224-I229 HydrophobicContact CZ2-CD1 4.5Å; W224-I229 HydrophobicContact CZ2-CG1 4.5Å; I229-I270 HydrophobicContact CB-CG1 4.18Å; I229-I270 HydrophobicContact CB-CG2 4.08Å; I229-I270 HydrophobicContact CG2-CD1 3.63Å; I229-I270 HydrophobicContact CG2-CG1 3.63Å; I229-I270 HydrophobicContact CG2-CG2 4.1Å; I229-I270 VanDerWaalsContact O-CG2 3.27Å; I229-I270 WeakPolarHBondContact O-CG2 3.45Å; I229-F273 HydrophobicContact CB-CD1 4.33Å; I229-F273 HydrophobicContact CB-CE1 4.45Å; I229-F273 HydrophobicContact CD1-CD1 3.79Å; I229-F273 HydrophobicContact CD1-CD2 4.28Å; I229-F273 HydrophobicContact CD1-CE1 3.88Å; I229-F273 HydrophobicContact CD1-CE2 4.35Å; I229-F273 HydrophobicContact CD1-CG 4.04Å; I229-F273 HydrophobicContact CD1-CZ 4.17Å; I229-F273 HydrophobicContact CG1-CD1 3.88Å; I229-F273 HydrophobicContact CG1-CE1 3.69Å; I229-F273 HydrophobicContact CG1-CZ 4.26Å; I229-N274 PolarHBondContact N-OD1 3.06Å; I229-N274 PolarHBondContact O-ND2 3.23Å; I229-F290 HydrophobicContact CD1-CD1 3.92Å; I229-F290 HydrophobicContact CD1-CD2 3.61Å; I229-F290 HydrophobicContact CD1-CE1 3.88Å; I229-F290 HydrophobicContact CD1-CE2 3.58Å; I229-F290 HydrophobicContact CD1-CG 3.79Å; I229-F290 HydrophobicContact CD1-CZ 3.72Å
230	E	87.3	Confident	89.2	Confident	79 Å²	79	28.1 Å²	28.1	37%	0.369	14%	0.142	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	-37.3	177.9	-71.8	-170.6	153.2	0	0	110.9	L223 R225	L223-E230 HydrophobicContact CD2-CB 4.32Å; L223-E230 PolarHBondContact O-N 3.31Å; R225-E230 HydrophobicContact CB-CG 3.94Å; R225-E230 WeakPolarHBondContact CD-OE1 3.17Å; R225-E230 IonicContact CZ-OE1 2.94Å; R225-E230 IonicContact NE-OE1 3.51Å; R225-E230 IonicContact NH1-OE1 3.02Å; R225-E230 PolarHBondContact NH1-OE1 2.89Å
231	W	88.8	Confident	88.9	Confident	57 Å²	57	28.1 Å²	28.1	22%	0.216	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-158	150.6	-170.9	179.9	92.1	0	0	0	111.9	A221 V222 L223 N233 L250	A221-W231 HydrophobicContact CB-CZ3 3.98Å; A221-W231 WeakPolarHBondContact O-CZ3 3.43Å; V222-W231 CarbonylContact C-O 3.6Å; L223-W231 HydrophobicContact CB-CB 4.17Å; L223-W231 HydrophobicContact CB-CE3 4.35Å; L223-W231 PolarHBondContact N-O 3.21Å; W231-N233 HydrophobicContact CH2-CB 3.09Å; W231-N233 HydrophobicContact CZ2-CB 3.27Å; W231-N233 HydrophobicContact CZ3-CB 3.91Å; W231-L250 VanDerWaalsContact CH2-C 3.48Å; W231-L250 HydrophobicContact CH2-CB 3.45Å; W231-L250 VanDerWaalsContact CH2-CB 3.45Å; W231-L250 HydrophobicContact CH2-CD2 4.09Å; W231-L250 HydrophobicContact CH2-CG 4.26Å; W231-L250 WeakPolarHBondContact CH2-O 3.42Å; W231-L250 HydrophobicContact CZ2-CB 4Å; W231-L250 WeakPolarHBondContact CZ2-O 3.38Å; W231-L250 HydrophobicContact CZ3-CB 3.88Å; W231-L250 HydrophobicContact CZ3-CD1 4.3Å; W231-L250 HydrophobicContact CZ3-CD2 3.93Å; W231-L250 HydrophobicContact CZ3-CG 4.25Å
232	A	91.7	Very high	88.6	Confident	1 Å²	1	33.2 Å²	33.2	1%	0.008	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	155.2	165	0	0	0	0	0	112.4	A221 V222 V266 I270	A221-A232 CarbonylContact O-C 3.6Å; A221-A232 WeakPolarHBondContact O-CA 3.37Å; A221-A232 WeakPolarHBondContact O-CB 3.46Å; V222-A232 HydrophobicContact CB-CB 4.33Å; V222-A232 HydrophobicContact CG1-CB 4.15Å; V222-A232 HydrophobicContact CG2-CB 4.06Å; A232-V266 HydrophobicContact CB-CG1 3.59Å; A232-I270 HydrophobicContact CB-CD1 3.58Å
233	N	93.9	Very high	88.2	Confident	7 Å²	7	35.3 Å²	35.3	4%	0.037	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146	146.8	172.9	-173.3	23.7	0	0	0	110.5	A220 A221 W231 F241 L250 R252 T263	A220-N233 CarbonylContact C-O 3.33Å; A220-N233 WeakPolarHBondContact CA-O 3.49Å; A221-N233 PolarHBondContact N-O 2.82Å; A221-N233 PolarHBondContact O-N 3.34Å; W231-N233 HydrophobicContact CH2-CB 3.09Å; W231-N233 HydrophobicContact CZ2-CB 3.27Å; W231-N233 HydrophobicContact CZ3-CB 3.91Å; N233-F241 HydrophobicContact CB-CE1 4.38Å; N233-F241 WeakPolarHBondContact O-CZ 3.13Å; N233-L250 PolarHBondContact ND2-O 2.87Å; N233-R252 PolarHBondContact ND2-O 2.84Å; N233-T263 WeakPolarHBondContact OD1-CG2 3.22Å; N233-T263 PolarHBondContact OD1-OG1 2.58Å
234	V	93.9	Very high	87.8	Confident	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	132.4	-177.1	-179.6	0	0	0	0	109.7	F218 A220 F259 V262 T263 V266	F218-V234 HydrophobicContact CB-CG1 3.87Å; F218-V234 HydrophobicContact CD2-CG1 3.38Å; F218-V234 HydrophobicContact CE2-CG1 4.06Å; F218-V234 HydrophobicContact CG-CG1 3.8Å; A220-V234 HydrophobicContact CB-CG2 4.01Å; V234-F259 HydrophobicContact CG1-CB 4.28Å; V234-F259 HydrophobicContact CG1-CD1 3.99Å; V234-F259 HydrophobicContact CG1-CG 4.41Å; V234-V262 HydrophobicContact CB-CG1 4.47Å; V234-V262 HydrophobicContact CG1-CG1 4.31Å; V234-V262 HydrophobicContact CG2-CG1 4.17Å; V234-T263 WeakPolarHBondContact CB-OG1 3.32Å; V234-T263 PolarHBondContact N-OG1 3.05Å; V234-T263 VanDerWaalsContact N-OG1 3.08Å; V234-T263 PolarHBondContact O-OG1 3.3Å; V234-V266 HydrophobicContact CG2-CG2 4.01Å
235	K	94	Very high	87.6	Confident	6 Å²	6	46.7 Å²	46.7	3%	0.026	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	150.5	176.6	-77.6	-170.8	173	179	0	110.7	F218 E219 E239 S240 F241 C249 R252	F218-K235 WeakPolarHBondContact CA-O 3.38Å; F218-K235 VanDerWaalsContact CB-O 3.26Å; F218-K235 WeakPolarHBondContact CB-O 3.33Å; E219-K235 PolarHBondContact N-O 3.4Å; E219-K235 PolarHBondContact O-N 3.41Å; K235-E239 HydrophobicContact CB-CB 3.84Å; K235-E239 HydrophobicContact CD-CB 4.24Å; K235-E239 HydrophobicContact CG-CB 4.35Å; K235-S240 VanDerWaalsContact CD-O 3.29Å; K235-S240 WeakPolarHBondContact CD-O 3.34Å; K235-S240 PolarHBondContact NZ-O 3.08Å; K235-F241 HydrophobicContact CB-CE1 4.32Å; K235-F241 HydrophobicContact CB-CE2 3.87Å; K235-F241 HydrophobicContact CB-CZ 3.73Å; K235-F241 HydrophobicContact CD-CD1 3.65Å; K235-F241 HydrophobicContact CD-CD2 4.11Å; K235-F241 HydrophobicContact CD-CE1 3.61Å; K235-F241 HydrophobicContact CD-CE2 4.1Å; K235-F241 HydrophobicContact CD-CG 3.92Å; K235-F241 HydrophobicContact CD-CZ 3.85Å; K235-F241 HydrophobicContact CG-CD1 4.28Å; K235-F241 HydrophobicContact CG-CE1 3.7Å; K235-F241 HydrophobicContact CG-CE2 4.13Å; K235-F241 HydrophobicContact CG-CZ 3.63Å; K235-C249 PolarHBondContact NZ-O 2.99Å; K235-R252 WeakPolarHBondContact CE-O 3.49Å
236	G	91.4	Very high	87.5	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	25%	0.249	C	C	.	.			trans	-68	-178.5	179.6	0	0	0	0	0	114	E239	G236-E239 PolarHBondContact N-OE2 2.84Å; G236-E239 PolarHBondContact O-N 2.87Å
237	P	88.3	Confident	87.7	Confident	46 Å²	46	50.9 Å²	50.9	30%	0.299	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-43.9	-178.4	25.6	-30.2	0	0	0	112.3	K216 I217 E239	K216-P237 HydrophobicContact CB-CB 4.32Å; K216-P237 HydrophobicContact CD-CB 4.37Å; K216-P237 HydrophobicContact CG-CB 4.18Å; K216-P237 PolarHBondContact NZ-O 2.93Å; K216-P237 WeakPolarHBondContact O-CB 3.44Å; I217-P237 WeakPolarHBondContact O-CD 3.42Å; P237-E239 PolarHBondContact O-N 2.77Å
238	D	87.9	Confident	87.9	Confident	107 Å²	107	53.2 Å²	53.2	57%	0.572	29%	0.289	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84	10	-178.6	-39.1	-53.7	0	0	0	113.2	R255 Y256	D238-R255 PolarHBondContact O-NH2 2.81Å; D238-Y256 PolarHBondContact OD2-OH 3.28Å
239	E	88.7	Confident	87.9	Confident	12 Å²	12	52.4 Å²	52.4	6%	0.056	29%	0.289	C	S	.	.			trans	-113	127.2	-177.1	-68.5	-177.9	165	0	0	110.5	K235 G236 P237 S254 R255 Y256	K235-E239 HydrophobicContact CB-CB 3.84Å; K235-E239 HydrophobicContact CD-CB 4.24Å; K235-E239 HydrophobicContact CG-CB 4.35Å; G236-E239 PolarHBondContact N-OE2 2.84Å; G236-E239 PolarHBondContact O-N 2.87Å; P237-E239 PolarHBondContact O-N 2.77Å; E239-S254 PolarHBondContact OE1-OG 2.83Å; E239-S254 WeakPolarHBondContact OE2-CA 3.21Å; E239-S254 VanDerWaalsContact OE2-CB 3.28Å; E239-S254 WeakPolarHBondContact OE2-CB 3.44Å; E239-S254 PolarHBondContact OE2-OG 2.8Å; E239-R255 VanDerWaalsContact CG-NH2 3.35Å; E239-R255 WeakPolarHBondContact OE1-CA 3.31Å; E239-R255 WeakPolarHBondContact OE1-CB 3.19Å; E239-R255 WeakPolarHBondContact OE1-CG 3.08Å; E239-R255 PolarHBondContact OE1-N 2.81Å; E239-R255 IonicContact OE1-NE 3.18Å; E239-R255 PolarHBondContact OE1-NE 2.87Å; E239-Y256 HydrophobicContact CG-CE2 4.39Å
240	S	86.5	Confident	87.8	Confident	71 Å²	71	53.8 Å²	53.8	50%	0.497	30%	0.296	S	S	.	.			trans	-93.6	151.9	172.1	54.4	0	0	0	0	111.1	K235 Y242	K235-S240 VanDerWaalsContact CD-O 3.29Å; K235-S240 WeakPolarHBondContact CD-O 3.34Å; K235-S240 PolarHBondContact NZ-O 3.08Å; S240-Y242 VanDerWaalsContact C-N 3.27Å; S240-Y242 PolarHBondContact OG-O 3.04Å
241	F	88.2	Confident	87.8	Confident	1 Å²	1	57.7 Å²	57.7	0%	0.004	31%	0.314	C	S	.	.	S	Bend	trans	-80.3	-12.1	164.9	-73.2	-84.4	0	0	0	113.3	M198 E219 A221 N233 K235 L248 C249 L250	M198-F241 HydrophobicContact CE-CB 3.83Å; M198-F241 HydrophobicContact CE-CD2 3.21Å; M198-F241 HydrophobicContact CE-CE2 3.88Å; M198-F241 HydrophobicContact CE-CG 3.65Å; E219-F241 HydrophobicContact CB-CE2 3.86Å; E219-F241 HydrophobicContact CG-CD2 4.19Å; E219-F241 HydrophobicContact CG-CE2 3.78Å; E219-F241 WeakPolarHBondContact O-CE2 3.46Å; E219-F241 WeakPolarHBondContact O-CZ 3.16Å; A221-F241 HydrophobicContact CB-CD1 3.8Å; A221-F241 HydrophobicContact CB-CD2 4.38Å; A221-F241 HydrophobicContact CB-CE1 3.44Å; A221-F241 VanDerWaalsContact CB-CE1 3.44Å; A221-F241 HydrophobicContact CB-CE2 4.04Å; A221-F241 HydrophobicContact CB-CG 4.26Å; A221-F241 HydrophobicContact CB-CZ 3.56Å; N233-F241 HydrophobicContact CB-CE1 4.38Å; N233-F241 WeakPolarHBondContact O-CZ 3.13Å; K235-F241 HydrophobicContact CB-CE1 4.32Å; K235-F241 HydrophobicContact CB-CE2 3.87Å; K235-F241 HydrophobicContact CB-CZ 3.73Å; K235-F241 HydrophobicContact CD-CD1 3.65Å; K235-F241 HydrophobicContact CD-CD2 4.11Å; K235-F241 HydrophobicContact CD-CE1 3.61Å; K235-F241 HydrophobicContact CD-CE2 4.1Å; K235-F241 HydrophobicContact CD-CG 3.92Å; K235-F241 HydrophobicContact CD-CZ 3.85Å; K235-F241 HydrophobicContact CG-CD1 4.28Å; K235-F241 HydrophobicContact CG-CE1 3.7Å; K235-F241 HydrophobicContact CG-CE2 4.13Å; K235-F241 HydrophobicContact CG-CZ 3.63Å; F241-L248 HydrophobicContact CB-CD1 3.75Å; F241-C249 PolarHBondContact O-N 3.23Å; F241-L250 HydrophobicContact CD1-CD2 4.28Å
242	Y	87.5	Confident	87.7	Confident	108 Å²	108	62 Å²	62	42%	0.424	33%	0.33	S	S	.	.	B	Isolated β-bridge	trans	-91.2	133.5	174.4	-57.7	-81.5	0	0	0	109.9	S240 K247 L248	S240-Y242 VanDerWaalsContact C-N 3.27Å; S240-Y242 PolarHBondContact OG-O 3.04Å; Y242-K247 WeakPolarHBondContact CA-O 3.04Å; Y242-L248 HydrophobicContact CD1-CB 4.46Å; Y242-L248 HydrophobicContact CD1-CD1 4.22Å; Y242-L248 HydrophobicContact CE1-CB 4.38Å; Y242-L248 HydrophobicContact CE1-CD1 3.89Å
243	D	83.7	Confident	87.7	Confident	44 Å²	44	71.2 Å²	71.2	24%	0.235	37%	0.365	C	S	.	.			trans	-75.8	171.8	167.2	-66.6	-25.5	0	0	0	110.7	S245 G246 K247 C249	D243-S245 PolarHBondContact O-N 3.1Å; D243-G246 WeakPolarHBondContact O-CA 3.36Å; D243-G246 PolarHBondContact O-N 3.25Å; D243-K247 PolarHBondContact N-O 2.9Å; D243-C249 VanDerWaalsContact OD1-CB 3.26Å; D243-C249 WeakPolarHBondContact OD1-CB 3.48Å; D243-C249 WeakPolarHBondContact OD2-CB 3.45Å; D243-C249 PolarHBondContact OD2-SG 3.01Å
244	D	83.3	Confident	87.6	Confident	181 Å²	181	70.9 Å²	70.9	97%	0.968	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-23.4	178.6	-53.1	-36.8	0	0	0	113	G246	D244-G246 VanDerWaalsContact C-N 3.28Å; D244-G246 PolarHBondContact O-N 3.46Å
245	S	85.5	Confident	87.4	Confident	97 Å²	97	77.6 Å²	77.6	68%	0.678	39%	0.388	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	1.3	174	58.7	0	0	0	0	114.3	D243 K247	D243-S245 PolarHBondContact O-N 3.1Å; S245-K247 PolarHBondContact O-N 2.89Å
246	G	83.4	Confident	87.3	Confident	51 Å²	51	81.7 Å²	81.7	53%	0.526	40%	0.404	S	S	.	.	S	Bend	trans	73	2.4	-171.7	0	0	0	0	0	114	D243 D244	D243-G246 WeakPolarHBondContact O-CA 3.36Å; D243-G246 PolarHBondContact O-N 3.25Å; D244-G246 VanDerWaalsContact C-N 3.28Å; D244-G246 PolarHBondContact O-N 3.46Å
247	K	85.3	Confident	87.2	Confident	145 Å²	145	84.1 Å²	84.1	63%	0.63	42%	0.424	S	S	*	.			trans	-74.5	135	177	-170.7	176.7	179.7	-179.9	0	110.6	Y242 D243 S245 C249	Y242-K247 WeakPolarHBondContact CA-O 3.04Å; D243-K247 PolarHBondContact N-O 2.9Å; S245-K247 PolarHBondContact O-N 2.89Å; K247-C249 PolarHBondContact O-N 2.77Å
248	L	84.6	Confident	87.3	Confident	49 Å²	49	83.3 Å²	83.3	26%	0.257	42%	0.417	S	S	.	.	B	Isolated β-bridge	trans	-74.7	109.3	176.7	-175	76.3	0	0	0	110.9	L196 F241 Y242 L250	L196-L248 HydrophobicContact CD2-CD2 3.41Å; L196-L248 VanDerWaalsContact CD2-CD2 3.41Å; F241-L248 HydrophobicContact CB-CD1 3.75Å; Y242-L248 HydrophobicContact CD1-CB 4.46Å; Y242-L248 HydrophobicContact CD1-CD1 4.22Å; Y242-L248 HydrophobicContact CE1-CB 4.38Å; Y242-L248 HydrophobicContact CE1-CD1 3.89Å; L248-L250 HydrophobicContact CD1-CD2 4.15Å; L248-L250 HydrophobicContact CD2-CD1 4.07Å; L248-L250 HydrophobicContact CD2-CD2 3.82Å; L248-L250 HydrophobicContact CD2-CG 3.84Å; L248-L250 HydrophobicContact CG-CD2 3.88Å; L248-L250 HydrophobicContact CG-CG 3.96Å
249	C	84.5	Confident	87.6	Confident	39 Å²	39	78.7 Å²	78.7	26%	0.264	39%	0.392	S	S	.	.			trans	-104	85.8	177.5	-108.3	0	0	0	0	111.6	K235 F241 D243 K247	K235-C249 PolarHBondContact NZ-O 2.99Å; F241-C249 PolarHBondContact O-N 3.23Å; D243-C249 VanDerWaalsContact OD1-CB 3.26Å; D243-C249 WeakPolarHBondContact OD1-CB 3.48Å; D243-C249 WeakPolarHBondContact OD2-CB 3.45Å; D243-C249 PolarHBondContact OD2-SG 3.01Å; K247-C249 PolarHBondContact O-N 2.77Å
250	L	85.2	Confident	87.7	Confident	29 Å²	29	83.7 Å²	83.7	15%	0.152	41%	0.41	C	S	.	.			trans	-67	-41.6	179.1	-68.4	-177.7	0	0	0	112.3	L196 A221 W231 N233 F241 L248 R252	L196-L250 HydrophobicContact CD1-CD1 4.27Å; L196-L250 HydrophobicContact CD1-CD2 4.12Å; L196-L250 HydrophobicContact CD2-CD2 4.27Å; A221-L250 HydrophobicContact CB-CD2 3.83Å; W231-L250 VanDerWaalsContact CH2-C 3.48Å; W231-L250 HydrophobicContact CH2-CB 3.45Å; W231-L250 VanDerWaalsContact CH2-CB 3.45Å; W231-L250 HydrophobicContact CH2-CD2 4.09Å; W231-L250 HydrophobicContact CH2-CG 4.26Å; W231-L250 WeakPolarHBondContact CH2-O 3.42Å; W231-L250 HydrophobicContact CZ2-CB 4Å; W231-L250 WeakPolarHBondContact CZ2-O 3.38Å; W231-L250 HydrophobicContact CZ3-CB 3.88Å; W231-L250 HydrophobicContact CZ3-CD1 4.3Å; W231-L250 HydrophobicContact CZ3-CD2 3.93Å; W231-L250 HydrophobicContact CZ3-CG 4.25Å; N233-L250 PolarHBondContact ND2-O 2.87Å; F241-L250 HydrophobicContact CD1-CD2 4.28Å; L248-L250 HydrophobicContact CD1-CD2 4.15Å; L248-L250 HydrophobicContact CD2-CD1 4.07Å; L248-L250 HydrophobicContact CD2-CD2 3.82Å; L248-L250 HydrophobicContact CD2-CG 3.84Å; L248-L250 HydrophobicContact CG-CD2 3.88Å; L248-L250 HydrophobicContact CG-CG 3.96Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 3.39Å
251	H	86.6	Confident	87.9	Confident	161 Å²	161	83 Å²	83	75%	0.745	40%	0.399	S	S	*	.	S	Bend	trans	-74.3	-14.6	-170.8	-58.4	94.3	0	0	0	115.4	R253	H251-R253 PolarHBondContact O-N 2.88Å
252	R	88.5	Confident	88	Confident	146 Å²	146	83 Å²	83	55%	0.551	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-68	122	-177.2	-174.2	175.2	179.2	178.5	1.6	110.1	N233 K235 L250	N233-R252 PolarHBondContact ND2-O 2.84Å; K235-R252 WeakPolarHBondContact CE-O 3.49Å; L250-R252 VanDerWaalsContact C-N 3.31Å; L250-R252 PolarHBondContact O-N 3.39Å
253	R	90.9	Very high	88.2	Confident	195 Å²	195	78.2 Å²	78.2	74%	0.736	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-63.6	150	174.2	-61.6	-176.2	-176.6	-175.9	0.2	110.4	H251	H251-R253 PolarHBondContact O-N 2.88Å
254	S	91.6	Very high	88.6	Confident	0 Å²	0	80.2 Å²	80.2	0%	0	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-59.9	151.2	171.4	-177.3	0	0	0	0	111.5	E239 Y256 R260	E239-S254 PolarHBondContact OE1-OG 2.83Å; E239-S254 WeakPolarHBondContact OE2-CA 3.21Å; E239-S254 VanDerWaalsContact OE2-CB 3.28Å; E239-S254 WeakPolarHBondContact OE2-CB 3.44Å; E239-S254 PolarHBondContact OE2-OG 2.8Å; S254-Y256 PolarHBondContact OG-N 3Å; S254-R260 PolarHBondContact O-NE 3.25Å; S254-R260 PolarHBondContact O-NH2 2.91Å; S254-R260 VanDerWaalsContact O-NH2 3.12Å
255	R	90.8	Very high	88.9	Confident	141 Å²	141	73.4 Å²	73.4	53%	0.532	36%	0.355	S	S	.	.	S	Bend	trans	-71.9	-34.9	171.8	-58.8	175.1	-74.5	-171.6	-3	110.8	D238 E239 R260	D238-R255 PolarHBondContact O-NH2 2.81Å; E239-R255 VanDerWaalsContact CG-NH2 3.35Å; E239-R255 WeakPolarHBondContact OE1-CA 3.31Å; E239-R255 WeakPolarHBondContact OE1-CB 3.19Å; E239-R255 WeakPolarHBondContact OE1-CG 3.08Å; E239-R255 PolarHBondContact OE1-N 2.81Å; E239-R255 IonicContact OE1-NE 3.18Å; E239-R255 PolarHBondContact OE1-NE 2.87Å; R255-R260 PolarHBondContact O-NH2 3.34Å
256	Y	91.6	Very high	89.1	Confident	93 Å²	93	68.8 Å²	68.8	37%	0.365	32%	0.323	S	S	.	.	S	Bend	trans	-80.4	130.5	-177.9	-57.2	-70.2	0	0	0	111.8	D238 E239 S254 I258 F259 R260	D238-Y256 PolarHBondContact OD2-OH 3.28Å; E239-Y256 HydrophobicContact CG-CE2 4.39Å; S254-Y256 PolarHBondContact OG-N 3Å; Y256-I258 VanDerWaalsContact C-N 3.3Å; Y256-I258 PolarHBondContact O-N 2.8Å; Y256-F259 AromaticContact CD2-CD2 3.81Å; Y256-F259 HydrophobicContact CD2-CD2 3.81Å; Y256-F259 AromaticContact CD2-CE2 3.96Å; Y256-F259 HydrophobicContact CD2-CE2 3.96Å; Y256-F259 HydrophobicContact CG-CD2 4.11Å; Y256-F259 HydrophobicContact CG-CE2 4.33Å; Y256-F259 PolarHBondContact O-N 3.35Å; Y256-R260 PolarHBondContact O-N 2.87Å
257	A	89.5	Confident	89.4	Confident	50 Å²	50	71 Å²	71	41%	0.413	32%	0.318	S	S	.	.	H	α-helix	trans	-57.5	-42.3	-179.3	0	0	0	0	0	112.3	F259 R260 H261 L316	A257-F259 VanDerWaalsContact C-N 3.34Å; A257-F259 PolarHBondContact O-N 3.19Å; A257-R260 WeakPolarHBondContact O-CA 3.17Å; A257-R260 WeakPolarHBondContact O-CB 3.27Å; A257-R260 PolarHBondContact O-N 2.93Å; A257-H261 PolarHBondContact O-CD2 3.25Å; A257-H261 PolarHBondContact O-N 3.1Å; A257-H261 VanDerWaalsContact O-N 3.08Å; A257-L316 HydrophobicContact CB-CD2 4.17Å
258	I	90.4	Very high	89.4	Confident	29 Å²	29	66 Å²	66	15%	0.149	31%	0.308	C	S	.	.	H	α-helix	trans	-55.5	-48.4	-179.5	-55.4	171.4	0	0	0	110.9	Y256 R260 H261 V262 F301 L316 P317	Y256-I258 VanDerWaalsContact C-N 3.3Å; Y256-I258 PolarHBondContact O-N 2.8Å; I258-R260 VanDerWaalsContact C-N 3.29Å; I258-R260 PolarHBondContact O-N 2.94Å; I258-H261 PolarHBondContact O-N 3.4Å; I258-V262 HydrophobicContact CG2-CG2 4.45Å; I258-V262 WeakPolarHBondContact O-CG2 3.26Å; I258-V262 PolarHBondContact O-N 2.89Å; I258-F301 HydrophobicContact CD1-CE1 3.73Å; I258-F301 HydrophobicContact CD1-CZ 4.29Å; I258-L316 HydrophobicContact CG1-CD2 3.58Å; I258-P317 VanDerWaalsContact CD1-CD 3.43Å; I258-P317 HydrophobicContact CD1-CG 3.87Å; I258-P317 HydrophobicContact CG1-CG 4.23Å; I258-P317 HydrophobicContact CG2-CG 3.77Å
259	F	92.5	Very high	89.5	Confident	10 Å²	10	64 Å²	64	4%	0.044	30%	0.298	C	S	.	.	H	α-helix	trans	-73.5	-20.2	-179	-60.6	-53.6	0	0	0	113.3	I217 F218 V234 Y256 A257 T263 F301	I217-F259 VanDerWaalsContact O-CZ 3.32Å; I217-F259 WeakPolarHBondContact O-CZ 3.44Å; F218-F259 HydrophobicContact CB-CD1 3.95Å; F218-F259 HydrophobicContact CB-CE1 3.56Å; F218-F259 HydrophobicContact CB-CZ 4.07Å; F218-F259 HydrophobicContact CD1-CE1 4.19Å; F218-F259 HydrophobicContact CG-CE1 4.19Å; V234-F259 HydrophobicContact CG1-CB 4.28Å; V234-F259 HydrophobicContact CG1-CD1 3.99Å; V234-F259 HydrophobicContact CG1-CG 4.41Å; Y256-F259 AromaticContact CD2-CD2 3.81Å; Y256-F259 HydrophobicContact CD2-CD2 3.81Å; Y256-F259 AromaticContact CD2-CE2 3.96Å; Y256-F259 HydrophobicContact CD2-CE2 3.96Å; Y256-F259 HydrophobicContact CG-CD2 4.11Å; Y256-F259 HydrophobicContact CG-CE2 4.33Å; Y256-F259 PolarHBondContact O-N 3.35Å; A257-F259 VanDerWaalsContact C-N 3.34Å; A257-F259 PolarHBondContact O-N 3.19Å; F259-T263 VanDerWaalsContact O-CB 3.3Å; F259-T263 WeakPolarHBondContact O-CB 3.47Å; F259-T263 PolarHBondContact O-N 2.91Å; F259-T263 PolarHBondContact O-OG1 3.37Å; F259-F301 HydrophobicContact CZ-CZ 4.45Å
260	R	92.2	Very high	89.6	Confident	118 Å²	118	62.8 Å²	62.8	45%	0.445	29%	0.288	S	S	.	.	H	α-helix	trans	-66.1	-48.3	166.5	-62.6	176.6	-175.5	169.3	4	110.6	S254 R255 Y256 A257 I258 V262 T263 D264	S254-R260 PolarHBondContact O-NE 3.25Å; S254-R260 PolarHBondContact O-NH2 2.91Å; S254-R260 VanDerWaalsContact O-NH2 3.12Å; R255-R260 PolarHBondContact O-NH2 3.34Å; Y256-R260 PolarHBondContact O-N 2.87Å; A257-R260 WeakPolarHBondContact O-CA 3.17Å; A257-R260 WeakPolarHBondContact O-CB 3.27Å; A257-R260 PolarHBondContact O-N 2.93Å; I258-R260 VanDerWaalsContact C-N 3.29Å; I258-R260 PolarHBondContact O-N 2.94Å; R260-V262 PolarHBondContact O-N 3.32Å; R260-T263 WeakPolarHBondContact O-CB 3.48Å; R260-T263 PolarHBondContact O-N 2.67Å; R260-T263 VanDerWaalsContact O-N 3.15Å; R260-D264 PolarHBondContact O-N 2.75Å
261	H	89.7	Confident	89.5	Confident	55 Å²	55	68.5 Å²	68.5	26%	0.255	31%	0.314	S	S	.	.	H	α-helix	trans	-61.6	-42.5	175	-69.8	-80.5	0	0	0	111.9	A257 I258 T263 D264 N265 E333	A257-H261 PolarHBondContact O-CD2 3.25Å; A257-H261 PolarHBondContact O-N 3.1Å; A257-H261 VanDerWaalsContact O-N 3.08Å; I258-H261 PolarHBondContact O-N 3.4Å; H261-T263 VanDerWaalsContact C-N 3.31Å; H261-T263 PolarHBondContact O-N 2.96Å; H261-D264 PolarHBondContact O-N 3.23Å; H261-N265 PolarHBondContact O-N 3.2Å; H261-E333 IonicContact CE1-OE2 2.7Å; H261-E333 PolarHBondContact CE1-OE2 3.27Å; H261-E333 VanDerWaalsContact CE1-OE2 3.28Å; H261-E333 IonicContact CG-OE2 2.96Å; H261-E333 IonicContact ND1-OE2 3.31Å; H261-E333 PolarHBondContact ND1-OE2 3.33Å
262	V	91	Very high	89.1	Confident	2 Å²	2	66 Å²	66	1%	0.012	30%	0.303	C	S	.	.	H	α-helix	trans	-61.1	-41.6	174.8	177.9	0	0	0	0	110.8	V234 I258 R260 D264 N265 V266 Y297	V234-V262 HydrophobicContact CB-CG1 4.47Å; V234-V262 HydrophobicContact CG1-CG1 4.31Å; V234-V262 HydrophobicContact CG2-CG1 4.17Å; I258-V262 HydrophobicContact CG2-CG2 4.45Å; I258-V262 WeakPolarHBondContact O-CG2 3.26Å; I258-V262 PolarHBondContact O-N 2.89Å; R260-V262 PolarHBondContact O-N 3.32Å; V262-D264 VanDerWaalsContact C-N 3.32Å; V262-D264 PolarHBondContact O-N 2.67Å; V262-N265 PolarHBondContact O-N 3.33Å; V262-V266 HydrophobicContact CG1-CG2 4.33Å; V262-V266 VanDerWaalsContact O-CG2 3.24Å; V262-V266 WeakPolarHBondContact O-CG2 3.5Å; V262-V266 PolarHBondContact O-N 2.8Å; V262-Y297 HydrophobicContact CB-CE1 4.43Å; V262-Y297 HydrophobicContact CG1-CD1 4.1Å; V262-Y297 HydrophobicContact CG1-CE1 4.03Å; V262-Y297 HydrophobicContact CG1-CG 4.43Å; V262-Y297 HydrophobicContact CG2-CD1 3.89Å; V262-Y297 HydrophobicContact CG2-CE1 3.7Å
263	T	92.4	Very high	88.8	Confident	7 Å²	7	59.2 Å²	59.2	4%	0.043	28%	0.277	C	S	.	.	H	α-helix	trans	-59.5	-42.8	175.6	-65.5	0	0	0	0	111.7	N233 V234 F259 R260 H261 V266 K267	N233-T263 WeakPolarHBondContact OD1-CG2 3.22Å; N233-T263 PolarHBondContact OD1-OG1 2.58Å; V234-T263 WeakPolarHBondContact CB-OG1 3.32Å; V234-T263 PolarHBondContact N-OG1 3.05Å; V234-T263 VanDerWaalsContact N-OG1 3.08Å; V234-T263 PolarHBondContact O-OG1 3.3Å; F259-T263 VanDerWaalsContact O-CB 3.3Å; F259-T263 WeakPolarHBondContact O-CB 3.47Å; F259-T263 PolarHBondContact O-N 2.91Å; F259-T263 PolarHBondContact O-OG1 3.37Å; R260-T263 WeakPolarHBondContact O-CB 3.48Å; R260-T263 PolarHBondContact O-N 2.67Å; R260-T263 VanDerWaalsContact O-N 3.15Å; H261-T263 VanDerWaalsContact C-N 3.31Å; H261-T263 PolarHBondContact O-N 2.96Å; T263-V266 PolarHBondContact O-N 2.93Å; T263-K267 WeakPolarHBondContact O-CG 3.35Å; T263-K267 PolarHBondContact O-N 3.23Å
264	D	90.9	Very high	88.4	Confident	87 Å²	87	51.6 Å²	51.6	47%	0.465	25%	0.251	S	S	.	.	H	α-helix	trans	-69.6	-36.9	179.4	-66.6	-28	0	0	0	111.8	R260 H261 V262 K267 G268	R260-D264 PolarHBondContact O-N 2.75Å; H261-D264 PolarHBondContact O-N 3.23Å; V262-D264 VanDerWaalsContact C-N 3.32Å; V262-D264 PolarHBondContact O-N 2.67Å; D264-K267 PolarHBondContact O-N 3.31Å; D264-K267 IonicContact OD1-NZ 3.54Å; D264-K267 PolarHBondContact OD1-NZ 2.89Å; D264-G268 PolarHBondContact O-N 2.83Å; D264-G268 VanDerWaalsContact O-N 3.11Å
265	N	89	Confident	87.7	Confident	37 Å²	37	54.2 Å²	54.2	20%	0.198	27%	0.27	C	S	.	.	H	α-helix	trans	-62.9	-40.9	170.8	-70	-20.1	0	0	0	112.3	H261 V262 K267 G268 L269 W293 S319	H261-N265 PolarHBondContact O-N 3.2Å; V262-N265 PolarHBondContact O-N 3.33Å; N265-K267 VanDerWaalsContact C-N 3.33Å; N265-K267 PolarHBondContact O-N 3.49Å; N265-G268 PolarHBondContact O-N 2.98Å; N265-L269 PolarHBondContact O-N 2.87Å; N265-W293 HydrophobicContact CB-CH2 3.74Å; N265-W293 HydrophobicContact CB-CZ2 3.91Å; N265-S319 PolarHBondContact ND2-O 3.04Å
266	V	90.1	Very high	86.9	Confident	1 Å²	1	48.5 Å²	48.5	1%	0.006	25%	0.251	C	S	.	.	H	α-helix	trans	-62	-40.8	175.2	173	0	0	0	0	110.8	A232 V234 V262 T263 G268 L269 I270 W293 L294	A232-V266 HydrophobicContact CB-CG1 3.59Å; V234-V266 HydrophobicContact CG2-CG2 4.01Å; V262-V266 HydrophobicContact CG1-CG2 4.33Å; V262-V266 VanDerWaalsContact O-CG2 3.24Å; V262-V266 WeakPolarHBondContact O-CG2 3.5Å; V262-V266 PolarHBondContact O-N 2.8Å; T263-V266 PolarHBondContact O-N 2.93Å; V266-G268 VanDerWaalsContact C-N 3.34Å; V266-G268 PolarHBondContact O-N 2.8Å; V266-L269 WeakPolarHBondContact O-CB 3.4Å; V266-L269 PolarHBondContact O-N 2.7Å; V266-I270 HydrophobicContact CG1-CD1 4.01Å; V266-I270 HydrophobicContact CG1-CG1 4.38Å; V266-I270 VanDerWaalsContact O-CG1 3.31Å; V266-I270 WeakPolarHBondContact O-CG1 3.26Å; V266-I270 PolarHBondContact O-N 2.87Å; V266-W293 HydrophobicContact CB-CZ3 4.43Å; V266-W293 HydrophobicContact CG2-CH2 3.88Å; V266-W293 HydrophobicContact CG2-CZ3 3.48Å; V266-W293 VanDerWaalsContact CG2-CZ3 3.48Å; V266-L294 HydrophobicContact CG2-CD2 4.15Å
267	K	90.1	Very high	85.8	Confident	96 Å²	96	44.9 Å²	44.9	42%	0.417	24%	0.238	S	C	.	.	H	α-helix	trans	-62	-42.5	176.3	-69	171.2	-167.3	153.9	0	111.9	T263 D264 N265 L269 I270 Q271	T263-K267 WeakPolarHBondContact O-CG 3.35Å; T263-K267 PolarHBondContact O-N 3.23Å; D264-K267 PolarHBondContact O-N 3.31Å; D264-K267 IonicContact OD1-NZ 3.54Å; D264-K267 PolarHBondContact OD1-NZ 2.89Å; N265-K267 VanDerWaalsContact C-N 3.33Å; N265-K267 PolarHBondContact O-N 3.49Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 3.17Å; K267-I270 PolarHBondContact O-N 2.99Å; K267-Q271 PolarHBondContact O-N 2.85Å
268	G	86.4	Confident	84.6	Confident	40 Å²	40	44.7 Å²	44.7	41%	0.412	23%	0.232	S	C	.	.	H	α-helix	trans	-59.7	-43.3	172.7	0	0	0	0	0	112.1	D264 N265 V266 I270 Q271 Q272	D264-G268 PolarHBondContact O-N 2.83Å; D264-G268 VanDerWaalsContact O-N 3.11Å; N265-G268 PolarHBondContact O-N 2.98Å; V266-G268 VanDerWaalsContact C-N 3.34Å; V266-G268 PolarHBondContact O-N 2.8Å; G268-I270 PolarHBondContact O-N 2.84Å; G268-Q271 WeakPolarHBondContact O-CB 3.35Å; G268-Q271 PolarHBondContact O-N 3.24Å; G268-Q272 PolarHBondContact O-N 3.24Å
269	L	85.2	Confident	83.3	Confident	9 Å²	9	44.7 Å²	44.7	5%	0.047	23%	0.233	C	C	.	.	H	α-helix	trans	-63.4	-38.9	176	-177.1	71	0	0	0	112.5	N265 V266 K267 Q271 Q272 F273 F290 W293	N265-L269 PolarHBondContact O-N 2.87Å; V266-L269 WeakPolarHBondContact O-CB 3.4Å; V266-L269 PolarHBondContact O-N 2.7Å; K267-L269 VanDerWaalsContact C-N 3.32Å; K267-L269 PolarHBondContact O-N 3.17Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 3.17Å; L269-Q272 CarbonylContact O-C 3.58Å; L269-Q272 PolarHBondContact O-N 3.08Å; L269-F273 VanDerWaalsContact O-CB 3.26Å; L269-F273 WeakPolarHBondContact O-CB 3.46Å; L269-F273 PolarHBondContact O-N 2.91Å; L269-F290 HydrophobicContact CD2-CD2 3.55Å; L269-F290 HydrophobicContact CD2-CE2 3.94Å; L269-F290 HydrophobicContact CG-CD2 4.17Å; L269-W293 HydrophobicContact CD1-CG 4.24Å; L269-W293 HydrophobicContact CD2-CB 3.8Å; L269-W293 HydrophobicContact CD2-CD2 3.45Å; L269-W293 VanDerWaalsContact CD2-CD2 3.45Å; L269-W293 HydrophobicContact CD2-CE3 3.49Å; L269-W293 VanDerWaalsContact CD2-CE3 3.49Å; L269-W293 HydrophobicContact CD2-CG 3.61Å; L269-W293 HydrophobicContact CD2-CZ3 4.15Å; L269-W293 HydrophobicContact CG-CD2 4.47Å
270	I	86.4	Confident	81.8	Confident	13 Å²	13	50 Å²	50	7%	0.067	26%	0.256	C	S	.	.	H	α-helix	trans	-59.2	-41.7	176.7	-73	166.6	0	0	0	110.7	I229 A232 V266 K267 G268 F273 N274 F290	I229-I270 HydrophobicContact CB-CG1 4.18Å; I229-I270 HydrophobicContact CB-CG2 4.08Å; I229-I270 HydrophobicContact CG2-CD1 3.63Å; I229-I270 HydrophobicContact CG2-CG1 3.63Å; I229-I270 HydrophobicContact CG2-CG2 4.1Å; I229-I270 VanDerWaalsContact O-CG2 3.27Å; I229-I270 WeakPolarHBondContact O-CG2 3.45Å; A232-I270 HydrophobicContact CB-CD1 3.58Å; V266-I270 HydrophobicContact CG1-CD1 4.01Å; V266-I270 HydrophobicContact CG1-CG1 4.38Å; V266-I270 VanDerWaalsContact O-CG1 3.31Å; V266-I270 WeakPolarHBondContact O-CG1 3.26Å; V266-I270 PolarHBondContact O-N 2.87Å; K267-I270 PolarHBondContact O-N 2.99Å; G268-I270 PolarHBondContact O-N 2.84Å; I270-F273 PolarHBondContact O-N 2.68Å; I270-N274 WeakPolarHBondContact CG2-ND2 3.48Å; I270-N274 WeakPolarHBondContact O-CB 3.46Å; I270-N274 VanDerWaalsContact O-CG 3.3Å; I270-N274 PolarHBondContact O-N 2.93Å; I270-N274 PolarHBondContact O-ND2 2.57Å; I270-F290 HydrophobicContact CG1-CE2 4.38Å
271	Q	82.9	Confident	80.6	Confident	149 Å²	149	49.6 Å²	49.6	70%	0.696	27%	0.269	S	S	*	.	H	α-helix	trans	-61.8	-46	176.8	-173.4	177.7	-4.7	0	0	111.2	K267 G268 L269 N274 S275	K267-Q271 PolarHBondContact O-N 2.85Å; G268-Q271 WeakPolarHBondContact O-CB 3.35Å; G268-Q271 PolarHBondContact O-N 3.24Å; L269-Q271 VanDerWaalsContact C-N 3.27Å; L269-Q271 PolarHBondContact O-N 3.17Å; Q271-N274 PolarHBondContact O-N 3.31Å; Q271-S275 WeakPolarHBondContact O-CB 3.44Å; Q271-S275 PolarHBondContact O-N 3.43Å; Q271-S275 PolarHBondContact O-OG 2.96Å
272	Q	79.7	Confident	79.9	Confident	107 Å²	107	52.6 Å²	52.6	50%	0.5	29%	0.285	S	S	.	.	H	α-helix	trans	-64.6	-38.9	175.7	-176.7	-178.6	-9.7	0	0	112.4	G268 L269 S275 S276	G268-Q272 PolarHBondContact O-N 3.24Å; L269-Q272 CarbonylContact O-C 3.58Å; L269-Q272 PolarHBondContact O-N 3.08Å; Q272-S275 WeakPolarHBondContact CA-OG 3.43Å; Q272-S275 PolarHBondContact O-OG 2.78Å; Q272-S276 WeakPolarHBondContact O-CB 3.45Å; Q272-S276 PolarHBondContact O-N 3.04Å; Q272-S276 PolarHBondContact O-OG 3.42Å
273	F	81.4	Confident	79.1	Confident	5 Å²	5	53.7 Å²	53.7	2%	0.022	29%	0.292	C	S	.	.	H	α-helix	trans	-62.7	-50.5	177.5	171.7	-86.1	0	0	0	110.3	L227 I229 L269 I270 S275 S276 L277 V286 V287 F290	L227-F273 VanDerWaalsContact O-CE1 3.22Å; L227-F273 WeakPolarHBondContact O-CE1 3.26Å; L227-F273 WeakPolarHBondContact O-CZ 3.4Å; I229-F273 HydrophobicContact CB-CD1 4.33Å; I229-F273 HydrophobicContact CB-CE1 4.45Å; I229-F273 HydrophobicContact CD1-CD1 3.79Å; I229-F273 HydrophobicContact CD1-CD2 4.28Å; I229-F273 HydrophobicContact CD1-CE1 3.88Å; I229-F273 HydrophobicContact CD1-CE2 4.35Å; I229-F273 HydrophobicContact CD1-CG 4.04Å; I229-F273 HydrophobicContact CD1-CZ 4.17Å; I229-F273 HydrophobicContact CG1-CD1 3.88Å; I229-F273 HydrophobicContact CG1-CE1 3.69Å; I229-F273 HydrophobicContact CG1-CZ 4.26Å; L269-F273 VanDerWaalsContact O-CB 3.26Å; L269-F273 WeakPolarHBondContact O-CB 3.46Å; L269-F273 PolarHBondContact O-N 2.91Å; I270-F273 PolarHBondContact O-N 2.68Å; F273-S275 PolarHBondContact O-N 3.27Å; F273-S276 PolarHBondContact O-N 3.14Å; F273-L277 PolarHBondContact O-N 3.24Å; F273-V286 HydrophobicContact CD2-CB 4.31Å; F273-V286 HydrophobicContact CD2-CG1 3.37Å; F273-V286 HydrophobicContact CE2-CB 3.97Å; F273-V286 HydrophobicContact CE2-CG1 3.49Å; F273-V286 VanDerWaalsContact CE2-CG1 3.49Å; F273-V286 WeakPolarHBondContact CE2-O 3.42Å; F273-V286 HydrophobicContact CG-CG1 4.06Å; F273-V286 HydrophobicContact CZ-CG1 4.27Å; F273-V287 HydrophobicContact CE2-CG2 4.06Å; F273-V287 HydrophobicContact CZ-CG2 4.03Å; F273-F290 HydrophobicContact CD2-CB 3.9Å; F273-F290 HydrophobicContact CE2-CB 4.19Å
274	N	82.2	Confident	78.4	Confident	34 Å²	34	56 Å²	56	18%	0.182	30%	0.302	C	S	.	.	H	α-helix	trans	-66.8	-36.8	-179.5	-70.7	-25.7	0	0	0	111.9	Q228 I229 I270 Q271	Q228-N274 WeakPolarHBondContact CG-OD1 3.49Å; I229-N274 PolarHBondContact N-OD1 3.06Å; I229-N274 PolarHBondContact O-ND2 3.23Å; I270-N274 WeakPolarHBondContact CG2-ND2 3.48Å; I270-N274 WeakPolarHBondContact O-CB 3.46Å; I270-N274 VanDerWaalsContact O-CG 3.3Å; I270-N274 PolarHBondContact O-N 2.93Å; I270-N274 PolarHBondContact O-ND2 2.57Å; Q271-N274 PolarHBondContact O-N 3.31Å
275	S	77.6	Confident	78	Confident	56 Å²	56	56 Å²	56	39%	0.392	31%	0.305	S	S	.	.	H	α-helix	trans	-66.6	-41.5	173.2	67.7	0	0	0	0	111.6	Q271 Q272 F273 L277 T278 T279	Q271-S275 WeakPolarHBondContact O-CB 3.44Å; Q271-S275 PolarHBondContact O-N 3.43Å; Q271-S275 PolarHBondContact O-OG 2.96Å; Q272-S275 WeakPolarHBondContact CA-OG 3.43Å; Q272-S275 PolarHBondContact O-OG 2.78Å; F273-S275 PolarHBondContact O-N 3.27Å; S275-L277 PolarHBondContact O-N 3.01Å; S275-T278 PolarHBondContact O-N 3.13Å; S275-T278 PolarHBondContact O-OG1 3.05Å; S275-T279 PolarHBondContact O-OG1 3.46Å
276	S	74.4	Confident	77.6	Confident	21 Å²	21	54.7 Å²	54.7	15%	0.147	30%	0.299	C	S	.	.	H	α-helix	trans	-66.1	-36.6	178.5	-62.3	0	0	0	0	112.2	Q272 F273 T278 T279 F280	Q272-S276 WeakPolarHBondContact O-CB 3.45Å; Q272-S276 PolarHBondContact O-N 3.04Å; Q272-S276 PolarHBondContact O-OG 3.42Å; F273-S276 PolarHBondContact O-N 3.14Å; S276-T278 PolarHBondContact O-N 3.41Å; S276-T279 PolarHBondContact O-N 3.46Å; S276-F280 VanDerWaalsContact O-CD2 3.27Å; S276-F280 WeakPolarHBondContact O-CD2 3.11Å; S276-F280 PolarHBondContact O-N 3.26Å
277	L	68.2	Low	77.4	Confident	17 Å²	17	54.7 Å²	54.7	9%	0.089	30%	0.299	C	S	.	.	H	α-helix	trans	-57.7	-33.8	177.8	-171	67	0	0	0	112.3	F161 L227 F273 S275 T279 P283	F161-L277 HydrophobicContact CB-CD2 3.93Å; F161-L277 HydrophobicContact CD1-CD2 4.08Å; F161-L277 HydrophobicContact CD1-CG 4.5Å; F161-L277 HydrophobicContact CD2-CD2 4.19Å; F161-L277 HydrophobicContact CG-CD2 3.85Å; L227-L277 HydrophobicContact CB-CD1 4.39Å; L227-L277 HydrophobicContact CB-CD2 4.02Å; F273-L277 PolarHBondContact O-N 3.24Å; S275-L277 PolarHBondContact O-N 3.01Å; L277-T279 VanDerWaalsContact C-N 3.32Å; L277-P283 HydrophobicContact CD1-CB 3.98Å
278	T	64.7	Low	77.3	Confident	46 Å²	46	54.3 Å²	54.3	28%	0.282	30%	0.295	S	S	.	.	H	α-helix	trans	-74.5	-22	175	68.1	0	0	0	0	113.2	C152 F161 S275 S276	C152-T278 WeakPolarHBondContact CB-O 3.47Å; C152-T278 PolarHBondContact SG-O 2.84Å; F161-T278 HydrophobicContact CE1-CG2 4.43Å; S275-T278 PolarHBondContact O-N 3.13Å; S275-T278 PolarHBondContact O-OG1 3.05Å; S276-T278 PolarHBondContact O-N 3.41Å
279	T	61.5	Low	77.2	Confident	28 Å²	28	55.5 Å²	55.5	17%	0.172	29%	0.289	C	S	.	.	H	α-helix	trans	-98.3	-34.5	-172.3	-53.8	0	0	0	0	112.6	S275 S276 L277	S275-T279 PolarHBondContact O-OG1 3.46Å; S276-T279 PolarHBondContact O-N 3.46Å; L277-T279 VanDerWaalsContact C-N 3.32Å
280	F	62.5	Low	77.4	Confident	121 Å²	121	55.1 Å²	55.1	53%	0.531	29%	0.287	S	S	.	.			trans	-97.5	131.8	-174.6	-67.9	-78	0	0	0	112.4	S276 M282 V286	S276-F280 VanDerWaalsContact O-CD2 3.27Å; S276-F280 WeakPolarHBondContact O-CD2 3.11Å; S276-F280 PolarHBondContact O-N 3.26Å; F280-M282 PolarHBondContact O-N 2.81Å; F280-M282 VanDerWaalsContact O-N 3.16Å; F280-V286 HydrophobicContact CB-CG2 4.23Å
281	P	65.5	Low	77.6	Confident	111 Å²	111	54.5 Å²	54.5	72%	0.721	28%	0.284	S	S	*	.	S	Bend	trans	-69.9	-10.2	178.5	27.8	-34.1	0	0	0	113.7	P283	P281-P283 VanDerWaalsContact O-CD 3.31Å; P281-P283 WeakPolarHBondContact O-CD 3.44Å
282	M	75.8	Confident	77.9	Confident	117 Å²	117	48 Å²	48	58%	0.576	26%	0.255	S	S	*	.			trans	-114.5	89.9	-173.1	-65.7	-64.7	156.5	0	0	111	F280 Q284 T285	F280-M282 PolarHBondContact O-N 2.81Å; F280-M282 VanDerWaalsContact O-N 3.16Å; M282-Q284 PolarHBondContact O-N 3.2Å; M282-T285 PolarHBondContact O-N 2.72Å
283	P	73.6	Confident	78.3	Confident	25 Å²	25	43.6 Å²	43.6	16%	0.162	23%	0.234	C	C	.	.	H	α-helix	trans	-61.6	-29.3	-179	23.4	-33.3	0	0	0	112.7	M164 F168 L227 L277 P281 T285 V286 V287	M164-P283 HydrophobicContact CE-CG 4.33Å; F168-P283 HydrophobicContact CZ-CG 4.39Å; L227-P283 HydrophobicContact CD1-CB 3.57Å; L227-P283 HydrophobicContact CD1-CG 4.1Å; L277-P283 HydrophobicContact CD1-CB 3.98Å; P281-P283 VanDerWaalsContact O-CD 3.31Å; P281-P283 WeakPolarHBondContact O-CD 3.44Å; P283-T285 VanDerWaalsContact C-N 3.29Å; P283-T285 PolarHBondContact O-N 3.16Å; P283-V286 PolarHBondContact O-N 3.18Å; P283-V287 WeakPolarHBondContact O-CG2 3.27Å; P283-V287 PolarHBondContact O-N 3.16Å; P283-V287 VanDerWaalsContact O-N 3.14Å
284	Q	79.1	Confident	78.6	Confident	57 Å²	57	43.4 Å²	43.4	27%	0.266	23%	0.233	S	C	.	.	H	α-helix	trans	-54.8	-43.2	176.5	-70.1	-81.3	-18.9	0	0	112.2	F168 M172 M282 R288	F168-Q284 HydrophobicContact CE2-CG 4.45Å; F168-Q284 HydrophobicContact CZ-CG 3.93Å; M172-Q284 HydrophobicContact CE-CB 4.35Å; M172-Q284 HydrophobicContact CE-CG 4.41Å; M172-Q284 VanDerWaalsContact CE-OE1 3.31Å; M282-Q284 PolarHBondContact O-N 3.2Å; Q284-R288 WeakPolarHBondContact O-CB 3.37Å; Q284-R288 VanDerWaalsContact O-CG 3.27Å; Q284-R288 WeakPolarHBondContact O-CG 3.36Å; Q284-R288 PolarHBondContact O-N 3.2Å
285	T	82.2	Confident	79	Confident	86 Å²	86	43.4 Å²	43.4	53%	0.528	23%	0.231	S	C	.	.	H	α-helix	trans	-68.6	-38.6	-178.7	-53.7	0	0	0	0	111.8	M282 P283 R288 H289	M282-T285 PolarHBondContact O-N 2.72Å; P283-T285 VanDerWaalsContact C-N 3.29Å; P283-T285 PolarHBondContact O-N 3.16Å; T285-R288 WeakPolarHBondContact O-CB 3.26Å; T285-R288 PolarHBondContact O-N 3.07Å; T285-H289 PolarHBondContact O-N 3.17Å
286	V	80.7	Confident	79.4	Confident	10 Å²	10	43.8 Å²	43.8	6%	0.061	22%	0.224	C	C	.	.	H	α-helix	trans	-67.3	-43.2	-179	-164.1	0	0	0	0	110.3	F273 F280 P283 H289 F290	F273-V286 HydrophobicContact CD2-CB 4.31Å; F273-V286 HydrophobicContact CD2-CG1 3.37Å; F273-V286 HydrophobicContact CE2-CB 3.97Å; F273-V286 HydrophobicContact CE2-CG1 3.49Å; F273-V286 VanDerWaalsContact CE2-CG1 3.49Å; F273-V286 WeakPolarHBondContact CE2-O 3.42Å; F273-V286 HydrophobicContact CG-CG1 4.06Å; F273-V286 HydrophobicContact CZ-CG1 4.27Å; F280-V286 HydrophobicContact CB-CG2 4.23Å; P283-V286 PolarHBondContact O-N 3.18Å; V286-H289 WeakPolarHBondContact O-CB 3.43Å; V286-H289 PolarHBondContact O-N 3.46Å; V286-F290 PolarHBondContact O-N 3.07Å
287	V	85.4	Confident	80.1	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	22%	0.217	C	C	.	.	H	α-helix	trans	-65.2	-40	174.3	172.9	0	0	0	0	111.4	M172 M176 W224 F273 P283 H289 F290 F291	M172-V287 HydrophobicContact CE-CB 3.22Å; M172-V287 HydrophobicContact CE-CG1 3.3Å; M172-V287 HydrophobicContact CE-CG2 3.63Å; M172-V287 HydrophobicContact SD-CB 4.32Å; M172-V287 HydrophobicContact SD-CG1 4.12Å; M172-V287 HydrophobicContact SD-CG2 4.23Å; M176-V287 HydrophobicContact CE-CG1 4.44Å; M176-V287 HydrophobicContact CG-CG1 4.45Å; W224-V287 HydrophobicContact CH2-CB 4.31Å; W224-V287 HydrophobicContact CH2-CG1 3.64Å; W224-V287 HydrophobicContact CH2-CG2 3.69Å; W224-V287 HydrophobicContact CZ2-CG1 4.28Å; W224-V287 HydrophobicContact CZ3-CG2 4.29Å; F273-V287 HydrophobicContact CE2-CG2 4.06Å; F273-V287 HydrophobicContact CZ-CG2 4.03Å; P283-V287 WeakPolarHBondContact O-CG2 3.27Å; P283-V287 PolarHBondContact O-N 3.16Å; P283-V287 VanDerWaalsContact O-N 3.14Å; V287-H289 VanDerWaalsContact C-N 3.27Å; V287-H289 PolarHBondContact O-N 3.36Å; V287-F290 WeakPolarHBondContact O-CB 3.37Å; V287-F290 PolarHBondContact O-N 3.21Å; V287-F291 HydrophobicContact CG1-CD2 3.56Å; V287-F291 HydrophobicContact CG1-CE2 3.53Å; V287-F291 WeakPolarHBondContact O-CD2 3.46Å; V287-F291 PolarHBondContact O-N 3.39Å
288	R	87.5	Confident	81	Confident	89 Å²	89	45.7 Å²	45.7	34%	0.336	23%	0.227	S	C	.	.	H	α-helix	trans	-57.4	-43	172.5	-77.2	173.1	178.1	-176.5	2.9	112	M176 Y180 Q284 T285 S292	M176-R288 VanDerWaalsContact CE-CA 3.49Å; M176-R288 HydrophobicContact CE-CB 4.12Å; M176-R288 HydrophobicContact CE-CG 3.66Å; M176-R288 HydrophobicContact SD-CG 3.77Å; Y180-R288 PolarHBondContact OH-O 3.29Å; Q284-R288 WeakPolarHBondContact O-CB 3.37Å; Q284-R288 VanDerWaalsContact O-CG 3.27Å; Q284-R288 WeakPolarHBondContact O-CG 3.36Å; Q284-R288 PolarHBondContact O-N 3.2Å; T285-R288 WeakPolarHBondContact O-CB 3.26Å; T285-R288 PolarHBondContact O-N 3.07Å; R288-S292 WeakPolarHBondContact O-CB 3.31Å; R288-S292 PolarHBondContact O-N 3.48Å
289	H	85.1	Confident	81.9	Confident	65 Å²	65	45.8 Å²	45.8	30%	0.301	23%	0.226	S	C	.	.	H	α-helix	trans	-61.3	-43.7	175.8	-174.1	73.1	0	0	0	111.9	T285 V286 V287 S292 W293 Y323	T285-H289 PolarHBondContact O-N 3.17Å; V286-H289 WeakPolarHBondContact O-CB 3.43Å; V286-H289 PolarHBondContact O-N 3.46Å; V287-H289 VanDerWaalsContact C-N 3.27Å; V287-H289 PolarHBondContact O-N 3.36Å; H289-S292 PolarHBondContact O-N 3.29Å; H289-W293 WeakPolarHBondContact O-CB 3.37Å; H289-W293 PolarHBondContact O-N 3.43Å; H289-Y323 AromaticContact CE1-CD2 3.64Å; H289-Y323 AromaticContact CE1-CE2 3.97Å
290	F	88.4	Confident	83	Confident	1 Å²	1	44.5 Å²	44.5	0%	0.004	22%	0.218	C	C	.	.	H	α-helix	trans	-60.2	-50.9	177.2	179.8	-100.1	0	0	0	112.9	V222 I229 L269 I270 F273 V286 V287 W293 L294	V222-F290 HydrophobicContact CG1-CE1 4.14Å; V222-F290 HydrophobicContact CG1-CZ 3.93Å; V222-F290 HydrophobicContact CG2-CE1 4.32Å; V222-F290 HydrophobicContact CG2-CZ 4.16Å; I229-F290 HydrophobicContact CD1-CD1 3.92Å; I229-F290 HydrophobicContact CD1-CD2 3.61Å; I229-F290 HydrophobicContact CD1-CE1 3.88Å; I229-F290 HydrophobicContact CD1-CE2 3.58Å; I229-F290 HydrophobicContact CD1-CG 3.79Å; I229-F290 HydrophobicContact CD1-CZ 3.72Å; L269-F290 HydrophobicContact CD2-CD2 3.55Å; L269-F290 HydrophobicContact CD2-CE2 3.94Å; L269-F290 HydrophobicContact CG-CD2 4.17Å; I270-F290 HydrophobicContact CG1-CE2 4.38Å; F273-F290 HydrophobicContact CD2-CB 3.9Å; F273-F290 HydrophobicContact CE2-CB 4.19Å; V286-F290 PolarHBondContact O-N 3.07Å; V287-F290 WeakPolarHBondContact O-CB 3.37Å; V287-F290 PolarHBondContact O-N 3.21Å; F290-W293 PolarHBondContact O-N 2.85Å; F290-L294 HydrophobicContact CD1-CD1 4.14Å; F290-L294 HydrophobicContact CE1-CD1 3.5Å; F290-L294 HydrophobicContact CE1-CG 4.34Å; F290-L294 HydrophobicContact CZ-CD1 3.82Å; F290-L294 HydrophobicContact CZ-CG 4.37Å; F290-L294 PolarHBondContact O-N 3.4Å
291	F	90.5	Very high	84.2	Confident	0 Å²	0	43.9 Å²	43.9	0%	0	22%	0.215	C	C	.	.	H	α-helix	trans	-69.1	-35.6	178.6	-76.7	-71.3	0	0	0	112.8	L173 M176 Y180 L183 I185 L197 V199 W224 V287 W293 L294 Y295	L173-F291 HydrophobicContact CD2-CE2 4.2Å; L173-F291 HydrophobicContact CD2-CZ 3.95Å; M176-F291 HydrophobicContact CB-CD2 4.26Å; M176-F291 HydrophobicContact CB-CE2 4.44Å; M176-F291 HydrophobicContact CE-CB 3.68Å; M176-F291 HydrophobicContact CE-CD2 3.6Å; M176-F291 HydrophobicContact CE-CG 3.98Å; M176-F291 HydrophobicContact CG-CD2 4Å; M176-F291 HydrophobicContact CG-CE2 4.16Å; Y180-F291 HydrophobicContact CD2-CB 4.32Å; Y180-F291 HydrophobicContact CE2-CB 4.16Å; L183-F291 HydrophobicContact CD1-CB 4.39Å; L183-F291 HydrophobicContact CD1-CD1 4.25Å; I185-F291 HydrophobicContact CD1-CD1 4.06Å; I185-F291 HydrophobicContact CD1-CE1 3.51Å; I185-F291 HydrophobicContact CD1-CZ 3.82Å; I185-F291 HydrophobicContact CG1-CE1 4.14Å; L197-F291 HydrophobicContact CD1-CZ 4.22Å; V199-F291 HydrophobicContact CG2-CE1 4Å; W224-F291 HydrophobicContact CH2-CE2 4.29Å; W224-F291 HydrophobicContact CZ2-CE2 4.05Å; W224-F291 HydrophobicContact CZ2-CZ 4.31Å; V287-F291 HydrophobicContact CG1-CD2 3.56Å; V287-F291 HydrophobicContact CG1-CE2 3.53Å; V287-F291 WeakPolarHBondContact O-CD2 3.46Å; V287-F291 PolarHBondContact O-N 3.39Å; F291-W293 VanDerWaalsContact C-N 3.31Å; F291-W293 PolarHBondContact O-N 3.17Å; F291-L294 HydrophobicContact CD1-CD1 4.48Å; F291-L294 PolarHBondContact O-N 3.14Å; F291-Y295 VanDerWaalsContact O-CB 3.32Å; F291-Y295 WeakPolarHBondContact O-CB 3.39Å; F291-Y295 PolarHBondContact O-N 3.3Å
292	S	89.1	Confident	85.1	Confident	13 Å²	13	41.7 Å²	41.7	9%	0.091	21%	0.207	C	C	.	.	H	α-helix	trans	-57.9	-47	171.7	-170.3	0	0	0	0	110.4	Y180 R288 H289 L294 Y295 Y296 Y323	Y180-S292 WeakPolarHBondContact OH-CB 3.49Å; R288-S292 WeakPolarHBondContact O-CB 3.31Å; R288-S292 PolarHBondContact O-N 3.48Å; H289-S292 PolarHBondContact O-N 3.29Å; S292-L294 PolarHBondContact O-N 3.23Å; S292-Y295 WeakPolarHBondContact O-CA 3.08Å; S292-Y295 VanDerWaalsContact O-CB 3.29Å; S292-Y295 WeakPolarHBondContact O-CB 3.32Å; S292-Y295 PolarHBondContact O-N 2.89Å; S292-Y295 VanDerWaalsContact O-N 3.11Å; S292-Y296 WeakPolarHBondContact O-CD2 3.31Å; S292-Y296 PolarHBondContact O-N 3.17Å; S292-Y296 VanDerWaalsContact O-N 3.07Å; S292-Y296 WeakPolarHBondContact OG-CE2 3.17Å; S292-Y323 PolarHBondContact OG-OH 3.11Å
293	W	88.4	Confident	85.6	Confident	14 Å²	14	38.4 Å²	38.4	5%	0.053	19%	0.19	C	C	.	.	H	α-helix	trans	-59.9	-46.4	178	-170.7	97.1	0	0	0	112.5	N265 V266 L269 H289 F290 F291 Y295 Y296 Y297 R321	N265-W293 HydrophobicContact CB-CH2 3.74Å; N265-W293 HydrophobicContact CB-CZ2 3.91Å; V266-W293 HydrophobicContact CB-CZ3 4.43Å; V266-W293 HydrophobicContact CG2-CH2 3.88Å; V266-W293 HydrophobicContact CG2-CZ3 3.48Å; V266-W293 VanDerWaalsContact CG2-CZ3 3.48Å; L269-W293 HydrophobicContact CD1-CG 4.24Å; L269-W293 HydrophobicContact CD2-CB 3.8Å; L269-W293 HydrophobicContact CD2-CD2 3.45Å; L269-W293 VanDerWaalsContact CD2-CD2 3.45Å; L269-W293 HydrophobicContact CD2-CE3 3.49Å; L269-W293 VanDerWaalsContact CD2-CE3 3.49Å; L269-W293 HydrophobicContact CD2-CG 3.61Å; L269-W293 HydrophobicContact CD2-CZ3 4.15Å; L269-W293 HydrophobicContact CG-CD2 4.47Å; H289-W293 WeakPolarHBondContact O-CB 3.37Å; H289-W293 PolarHBondContact O-N 3.43Å; F290-W293 PolarHBondContact O-N 2.85Å; F291-W293 VanDerWaalsContact C-N 3.31Å; F291-W293 PolarHBondContact O-N 3.17Å; W293-Y295 VanDerWaalsContact C-N 3.28Å; W293-Y295 PolarHBondContact O-N 3.04Å; W293-Y296 PolarHBondContact O-N 3.23Å; W293-Y297 HydrophobicContact CD2-CD2 4.42Å; W293-Y297 AromaticContact CD2-CE2 3.74Å; W293-Y297 HydrophobicContact CD2-CE2 3.74Å; W293-Y297 AromaticContact CE2-CE2 3.67Å; W293-Y297 AromaticContact CE3-CD2 3.92Å; W293-Y297 HydrophobicContact CE3-CD2 3.92Å; W293-Y297 AromaticContact CE3-CE2 3.46Å; W293-Y297 HydrophobicContact CE3-CE2 3.46Å; W293-Y297 VanDerWaalsContact CE3-CE2 3.46Å; W293-Y297 HydrophobicContact CH2-CD2 4.18Å; W293-Y297 AromaticContact CH2-CE2 3.11Å; W293-Y297 HydrophobicContact CH2-CE2 3.11Å; W293-Y297 AromaticContact CH2-CZ 3.44Å; W293-Y297 VanDerWaalsContact CH2-CZ 3.44Å; W293-Y297 WeakPolarHBondContact CH2-OH 2.94Å; W293-Y297 AromaticContact CZ2-CE2 3.4Å; W293-Y297 HydrophobicContact CZ2-CE2 3.4Å; W293-Y297 AromaticContact CZ2-CZ 3.66Å; W293-Y297 WeakPolarHBondContact CZ2-OH 3.23Å; W293-Y297 AromaticContact CZ3-CD2 3.76Å; W293-Y297 HydrophobicContact CZ3-CD2 3.76Å; W293-Y297 AromaticContact CZ3-CE2 3.12Å; W293-Y297 HydrophobicContact CZ3-CE2 3.12Å; W293-Y297 AromaticContact CZ3-CZ 3.92Å; W293-Y297 WeakPolarHBondContact O-CD2 3.3Å; W293-R321 PolarHBondContact NE1-O 2.89Å
294	L	89.4	Confident	86.3	Confident	1 Å²	1	40.3 Å²	40.3	1%	0.005	20%	0.202	C	C	.	.	H	α-helix	trans	-60.5	-39.3	173.9	-72.9	177.2	0	0	0	111.9	V199 V266 F290 F291 S292 Y296 Y297	V199-L294 HydrophobicContact CG1-CD1 4.48Å; V266-L294 HydrophobicContact CG2-CD2 4.15Å; F290-L294 HydrophobicContact CD1-CD1 4.14Å; F290-L294 HydrophobicContact CE1-CD1 3.5Å; F290-L294 HydrophobicContact CE1-CG 4.34Å; F290-L294 HydrophobicContact CZ-CD1 3.82Å; F290-L294 HydrophobicContact CZ-CG 4.37Å; F290-L294 PolarHBondContact O-N 3.4Å; F291-L294 HydrophobicContact CD1-CD1 4.48Å; F291-L294 PolarHBondContact O-N 3.14Å; S292-L294 PolarHBondContact O-N 3.23Å; L294-Y296 VanDerWaalsContact C-N 3.28Å; L294-Y296 PolarHBondContact O-N 3.2Å; L294-Y297 PolarHBondContact O-N 3.01Å; L294-Y297 VanDerWaalsContact O-N 3.17Å
295	Y	89.5	Confident	86.8	Confident	33 Å²	33	37.7 Å²	37.7	13%	0.129	19%	0.19	C	C	.	.	H	α-helix	trans	-62.5	-32.9	178.4	-173.7	-116.2	0	0	0	112.8	Y180 P181 L183 F291 S292 W293 Y297 R298	Y180-Y295 AromaticContact CD1-CD1 3.71Å; Y180-Y295 HydrophobicContact CD1-CD1 3.71Å; Y180-Y295 HydrophobicContact CD1-CD2 4.25Å; Y180-Y295 HydrophobicContact CD1-CE1 4.17Å; Y180-Y295 AromaticContact CD1-CG 3.71Å; Y180-Y295 HydrophobicContact CD1-CG 3.71Å; Y180-Y295 HydrophobicContact CE1-CD1 4.34Å; Y180-Y295 HydrophobicContact CG-CG 4.37Å; P181-Y295 WeakPolarHBondContact O-CE2 3.36Å; P181-Y295 PolarHBondContact O-OH 3.33Å; L183-Y295 HydrophobicContact CD1-CD2 4.33Å; L183-Y295 HydrophobicContact CD2-CD2 4.21Å; L183-Y295 HydrophobicContact CG-CD2 3.89Å; F291-Y295 VanDerWaalsContact O-CB 3.32Å; F291-Y295 WeakPolarHBondContact O-CB 3.39Å; F291-Y295 PolarHBondContact O-N 3.3Å; S292-Y295 WeakPolarHBondContact O-CA 3.08Å; S292-Y295 VanDerWaalsContact O-CB 3.29Å; S292-Y295 WeakPolarHBondContact O-CB 3.32Å; S292-Y295 PolarHBondContact O-N 2.89Å; S292-Y295 VanDerWaalsContact O-N 3.11Å; W293-Y295 VanDerWaalsContact C-N 3.28Å; W293-Y295 PolarHBondContact O-N 3.04Å; Y295-Y297 PolarHBondContact O-N 2.98Å; Y295-R298 WeakPolarHBondContact O-CB 3.49Å; Y295-R298 WeakPolarHBondContact O-CD 3.19Å; Y295-R298 WeakPolarHBondContact O-CG 3.35Å; Y295-R298 PolarHBondContact O-N 2.87Å; Y295-R298 PolarHBondContact OH-NH1 2.93Å
296	Y	86.4	Confident	87.1	Confident	65 Å²	65	35.6 Å²	35.6	26%	0.255	18%	0.178	S	C	.	.	H	α-helix	trans	-63	-29	176	-77.8	-75.2	0	0	0	113.4	S292 W293 L294 R298 N299 R321 Y323 M328	S292-Y296 WeakPolarHBondContact O-CD2 3.31Å; S292-Y296 PolarHBondContact O-N 3.17Å; S292-Y296 VanDerWaalsContact O-N 3.07Å; S292-Y296 WeakPolarHBondContact OG-CE2 3.17Å; W293-Y296 PolarHBondContact O-N 3.23Å; L294-Y296 VanDerWaalsContact C-N 3.28Å; L294-Y296 PolarHBondContact O-N 3.2Å; Y296-R298 PolarHBondContact O-N 3.06Å; Y296-N299 PolarHBondContact O-N 2.87Å; Y296-R321 PolarHBondContact O-NH1 3.26Å; Y296-R321 PolarHBondContact O-NH2 3.34Å; Y296-Y323 HydrophobicContact CD2-CE2 4.31Å; Y296-Y323 HydrophobicContact CE2-CE1 4.5Å; Y296-Y323 AromaticContact CE2-CE2 3.71Å; Y296-Y323 HydrophobicContact CE2-CE2 3.71Å; Y296-Y323 AromaticContact CE2-CZ 3.49Å; Y296-Y323 VanDerWaalsContact CE2-CZ 3.49Å; Y296-Y323 WeakPolarHBondContact CE2-OH 3.34Å; Y296-Y323 AromaticContact CZ-CZ 3.8Å; Y296-Y323 VanDerWaalsContact CZ-OH 3.28Å; Y296-Y323 PolarHBondContact OH-OH 2.88Å; Y296-M328 HydrophobicContact CD1-CB 4.18Å; Y296-M328 HydrophobicContact CD1-CE 4.19Å; Y296-M328 HydrophobicContact CD1-CG 4.11Å; Y296-M328 HydrophobicContact CD2-CE 3.19Å; Y296-M328 HydrophobicContact CE1-CB 3.98Å; Y296-M328 HydrophobicContact CE1-CE 4.48Å; Y296-M328 HydrophobicContact CE1-CG 4.39Å; Y296-M328 HydrophobicContact CE2-CE 3.61Å; Y296-M328 HydrophobicContact CG-CE 3.55Å; Y296-M328 HydrophobicContact CG-CG 4.29Å
297	Y	88.9	Confident	87.4	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	-65.9	-7.2	175.3	-75.7	-85.8	0	0	0	113.8	F218 V262 W293 L294 Y295 N299 V300 S319 R321	F218-Y297 VanDerWaalsContact CE1-CB 3.5Å; V262-Y297 HydrophobicContact CB-CE1 4.43Å; V262-Y297 HydrophobicContact CG1-CD1 4.1Å; V262-Y297 HydrophobicContact CG1-CE1 4.03Å; V262-Y297 HydrophobicContact CG1-CG 4.43Å; V262-Y297 HydrophobicContact CG2-CD1 3.89Å; V262-Y297 HydrophobicContact CG2-CE1 3.7Å; W293-Y297 HydrophobicContact CD2-CD2 4.42Å; W293-Y297 AromaticContact CD2-CE2 3.74Å; W293-Y297 HydrophobicContact CD2-CE2 3.74Å; W293-Y297 AromaticContact CE2-CE2 3.67Å; W293-Y297 AromaticContact CE3-CD2 3.92Å; W293-Y297 HydrophobicContact CE3-CD2 3.92Å; W293-Y297 AromaticContact CE3-CE2 3.46Å; W293-Y297 HydrophobicContact CE3-CE2 3.46Å; W293-Y297 VanDerWaalsContact CE3-CE2 3.46Å; W293-Y297 HydrophobicContact CH2-CD2 4.18Å; W293-Y297 AromaticContact CH2-CE2 3.11Å; W293-Y297 HydrophobicContact CH2-CE2 3.11Å; W293-Y297 AromaticContact CH2-CZ 3.44Å; W293-Y297 VanDerWaalsContact CH2-CZ 3.44Å; W293-Y297 WeakPolarHBondContact CH2-OH 2.94Å; W293-Y297 AromaticContact CZ2-CE2 3.4Å; W293-Y297 HydrophobicContact CZ2-CE2 3.4Å; W293-Y297 AromaticContact CZ2-CZ 3.66Å; W293-Y297 WeakPolarHBondContact CZ2-OH 3.23Å; W293-Y297 AromaticContact CZ3-CD2 3.76Å; W293-Y297 HydrophobicContact CZ3-CD2 3.76Å; W293-Y297 AromaticContact CZ3-CE2 3.12Å; W293-Y297 HydrophobicContact CZ3-CE2 3.12Å; W293-Y297 AromaticContact CZ3-CZ 3.92Å; W293-Y297 WeakPolarHBondContact O-CD2 3.3Å; L294-Y297 PolarHBondContact O-N 3.01Å; L294-Y297 VanDerWaalsContact O-N 3.17Å; Y295-Y297 PolarHBondContact O-N 2.98Å; Y297-N299 PolarHBondContact O-N 3.44Å; Y297-V300 HydrophobicContact CD1-CB 4.41Å; Y297-V300 HydrophobicContact CD1-CG2 4.27Å; Y297-V300 WeakPolarHBondContact O-CB 3.29Å; Y297-V300 WeakPolarHBondContact O-CG1 3Å; Y297-V300 PolarHBondContact O-N 2.92Å; Y297-V300 VanDerWaalsContact O-N 3.16Å; Y297-S319 VanDerWaalsContact CE1-O 3.31Å; Y297-S319 WeakPolarHBondContact CE1-O 3.32Å; Y297-S319 PolarHBondContact OH-O 2.82Å; Y297-R321 HydrophobicContact CE1-CG 4.48Å; Y297-R321 HydrophobicContact CE2-CG 4.42Å
298	R	86.2	Confident	87.6	Confident	76 Å²	76	41.3 Å²	41.3	29%	0.287	21%	0.212	S	C	.	.	G	3₁₀ helix	trans	-56.7	-31.5	173.1	78.4	-172.7	-178.7	150.9	2.2	113.2	V201 I217 Y295 Y296	V201-R298 HydrophobicContact CG1-CB 4.22Å; I217-R298 HydrophobicContact CD1-CB 4.22Å; I217-R298 WeakPolarHBondContact CD1-O 3.47Å; Y295-R298 WeakPolarHBondContact O-CB 3.49Å; Y295-R298 WeakPolarHBondContact O-CD 3.19Å; Y295-R298 WeakPolarHBondContact O-CG 3.35Å; Y295-R298 PolarHBondContact O-N 2.87Å; Y295-R298 PolarHBondContact OH-NH1 2.93Å; Y296-R298 PolarHBondContact O-N 3.06Å
299	N	84.6	Confident	87.6	Confident	48 Å²	48	44.2 Å²	44.2	26%	0.257	23%	0.227	S	C	.	.	G	3₁₀ helix	trans	-104	18.5	-177.3	-71.2	-17.2	0	0	0	112.4	Y296 Y297 F301 A302 E303	Y296-N299 PolarHBondContact O-N 2.87Å; Y297-N299 PolarHBondContact O-N 3.44Å; N299-F301 PolarHBondContact O-N 2.95Å; N299-A302 PolarHBondContact O-N 2.94Å; N299-E303 VanDerWaalsContact CB-CD 3.48Å; N299-E303 HydrophobicContact CB-CG 3.82Å; N299-E303 VanDerWaalsContact CB-OE1 3.29Å; N299-E303 WeakPolarHBondContact CB-OE1 3.39Å; N299-E303 PolarHBondContact ND2-OE1 3.5Å; N299-E303 PolarHBondContact O-N 3.18Å
300	V	85.4	Confident	87.7	Confident	2 Å²	2	47.8 Å²	47.8	1%	0.012	24%	0.241	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-32.9	-173.8	67.9	0	0	0	0	113.4	I217 Y297 P317	I217-V300 HydrophobicContact CG2-CG1 4.38Å; Y297-V300 HydrophobicContact CD1-CB 4.41Å; Y297-V300 HydrophobicContact CD1-CG2 4.27Å; Y297-V300 WeakPolarHBondContact O-CB 3.29Å; Y297-V300 WeakPolarHBondContact O-CG1 3Å; Y297-V300 PolarHBondContact O-N 2.92Å; Y297-V300 VanDerWaalsContact O-N 3.16Å; V300-P317 HydrophobicContact CG2-CB 4.17Å; V300-P317 HydrophobicContact CG2-CG 3.92Å; V300-P317 VanDerWaalsContact O-CB 3.27Å; V300-P317 WeakPolarHBondContact O-CB 3.35Å
301	F	86.1	Confident	87.7	Confident	108 Å²	108	51.3 Å²	51.3	47%	0.474	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-7.7	179.5	-59.7	-70	0	0	0	114.6	I217 I258 F259 N299 I311 P317	I217-F301 HydrophobicContact CG2-CD2 4.46Å; I217-F301 HydrophobicContact CG2-CE2 4.02Å; I258-F301 HydrophobicContact CD1-CE1 3.73Å; I258-F301 HydrophobicContact CD1-CZ 4.29Å; F259-F301 HydrophobicContact CZ-CZ 4.45Å; N299-F301 PolarHBondContact O-N 2.95Å; F301-I311 WeakPolarHBondContact O-CG2 3.45Å; F301-P317 HydrophobicContact CD1-CG 4.31Å; F301-P317 HydrophobicContact CE1-CG 4.21Å
302	A	86	Confident	87.5	Confident	65 Å²	65	55.9 Å²	55.9	54%	0.537	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-110	-28.4	-174.9	0	0	0	0	0	113.1	N299	N299-A302 PolarHBondContact O-N 2.94Å
303	E	85.1	Confident	87.1	Confident	48 Å²	48	58.6 Å²	58.6	22%	0.224	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-81.9	125.6	-176.9	-82.1	167.6	-172.2	0	0	111.9	N299 P318 R321 V330	N299-E303 VanDerWaalsContact CB-CD 3.48Å; N299-E303 HydrophobicContact CB-CG 3.82Å; N299-E303 VanDerWaalsContact CB-OE1 3.29Å; N299-E303 WeakPolarHBondContact CB-OE1 3.39Å; N299-E303 PolarHBondContact ND2-OE1 3.5Å; N299-E303 PolarHBondContact O-N 3.18Å; E303-P318 VanDerWaalsContact O-CG 3.26Å; E303-P318 WeakPolarHBondContact O-CG 3.09Å; E303-R321 IonicContact OE2-CZ 3.28Å; E303-R321 VanDerWaalsContact OE2-CZ 3.3Å; E303-R321 IonicContact OE2-NH1 2.89Å; E303-R321 PolarHBondContact OE2-NH1 2.95Å; E303-R321 IonicContact OE2-NH2 2.94Å; E303-R321 PolarHBondContact OE2-NH2 3.27Å; E303-V330 HydrophobicContact CB-CG1 4.44Å
304	P	88.4	Confident	86.9	Confident	65 Å²	65	63.1 Å²	63.1	42%	0.422	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-75.6	151.2	174	31.3	-34.1	0	0	0	111.3	I311	P304-I311 HydrophobicContact CB-CG1 4.17Å
305	C	89.4	Confident	86.6	Confident	1 Å²	1	70.1 Å²	70.1	1%	0.007	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-63.1	136.6	174.3	169.4	0	0	0	0	111.6	N307 C308 K309 K310 P318 V330 H332	C305-N307 VanDerWaalsContact C-N 3.28Å; C305-N307 PolarHBondContact O-N 3.38Å; C305-N307 PolarHBondContact SG-N 3.29Å; C305-N307 VanDerWaalsContact SG-N 3.43Å; C305-C308 WeakPolarHBondContact CB-SG 2.97Å; C305-C308 VanDerWaalsContact SG-SG 3.61Å; C305-K309 WeakPolarHBondContact O-CA 3.29Å; C305-K309 PolarHBondContact O-N 3.31Å; C305-K310 WeakPolarHBondContact CB-O 3.13Å; C305-K310 PolarHBondContact N-O 2.91Å; C305-P318 HydrophobicContact CB-CB 4.26Å; C305-V330 CarbonylContact C-O 3.55Å; C305-V330 WeakPolarHBondContact CA-O 3.46Å; C305-H332 VanDerWaalsContact CB-CE1 3.42Å; C305-H332 WeakPolarHBondContact CB-CE1 3.48Å; C305-H332 WeakPolarHBondContact CB-ND1 3.39Å
306	C	88.1	Confident	86.4	Confident	42 Å²	42	70.9 Å²	70.9	28%	0.284	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-37.3	179.7	-67.2	0	0	0	0	113	K309 Y329 V330 V331	C306-K309 WeakPolarHBondContact O-CE 3.49Å; C306-K309 PolarHBondContact O-NZ 2.97Å; C306-Y329 HydrophobicContact CB-CD2 3.81Å; C306-Y329 HydrophobicContact CB-CE2 3.37Å; C306-V330 PolarHBondContact N-O 3.46Å; C306-V330 PolarHBondContact SG-O 2.96Å; C306-V330 VanDerWaalsContact SG-O 3.41Å; C306-V331 HydrophobicContact CB-CG1 4.19Å
307	N	87.3	Confident	86.5	Confident	86 Å²	86	67.9 Å²	67.9	46%	0.46	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.3	-60.3	-175.2	-70.3	5.5	0	0	0	112.9	C305 Y329 C335	C305-N307 VanDerWaalsContact C-N 3.28Å; C305-N307 PolarHBondContact O-N 3.38Å; C305-N307 PolarHBondContact SG-N 3.29Å; C305-N307 VanDerWaalsContact SG-N 3.43Å; N307-Y329 PolarHBondContact ND2-OH 3.31Å; N307-Y329 PolarHBondContact OD1-OH 2.97Å; N307-C335 HydrophobicContact CB-CB 4.36Å; N307-C335 PolarHBondContact ND2-O 2.63Å
308	C	89.6	Confident	86.3	Confident	45 Å²	45	67.8 Å²	67.8	30%	0.304	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.2	-6.6	-175.3	71.1	0	0	0	0	114.4	C305 K310 H332	C305-C308 WeakPolarHBondContact CB-SG 2.97Å; C305-C308 VanDerWaalsContact SG-SG 3.61Å; C308-K310 PolarHBondContact O-N 3.32Å; C308-H332 PolarHBondContact SG-CE1 3.07Å; C308-H332 PolarHBondContact SG-ND1 2.93Å
309	K	87.9	Confident	86.2	Confident	150 Å²	150	64.6 Å²	64.6	65%	0.652	34%	0.339	S	S	*	.			trans	56.7	4.6	-175.3	-54.3	-55.7	-171.5	-163.9	0	115.9	C305 C306	C305-K309 WeakPolarHBondContact O-CA 3.29Å; C305-K309 PolarHBondContact O-N 3.31Å; C306-K309 WeakPolarHBondContact O-CE 3.49Å; C306-K309 PolarHBondContact O-NZ 2.97Å
310	K	88	Confident	86.2	Confident	139 Å²	139	64 Å²	64	60%	0.604	34%	0.335	S	S	*	.			trans	-87.1	146.7	174	-62.2	-178.2	-177.8	-178	0	110.1	C305 C308 H332	C305-K310 WeakPolarHBondContact CB-O 3.13Å; C305-K310 PolarHBondContact N-O 2.91Å; C308-K310 PolarHBondContact O-N 3.32Å; K310-H332 PolarHBondContact O-CE1 3.4Å; K310-H332 VanDerWaalsContact O-CE1 3.26Å
311	I	86.8	Confident	86	Confident	75 Å²	75	64.4 Å²	64.4	39%	0.385	34%	0.336	S	S	.	.	S	Bend	trans	-77	-42.9	172	-60.2	172.6	0	0	0	109.4	F301 P304 P317 P318 H332	F301-I311 WeakPolarHBondContact O-CG2 3.45Å; P304-I311 HydrophobicContact CB-CG1 4.17Å; I311-P317 WeakPolarHBondContact O-CA 3.45Å; I311-P318 WeakPolarHBondContact O-CD 3.19Å; I311-H332 PolarHBondContact O-NE2 3.12Å; I311-H332 VanDerWaalsContact O-NE2 3.14Å
312	L	86.5	Confident	85.6	Confident	97 Å²	97	61.7 Å²	61.7	51%	0.508	33%	0.325	S	S	.	.			trans	-115	135.3	-179.6	-62.5	173.4	0	0	0	111.2	P317	L312-P317 HydrophobicContact CD2-CB 4.27Å
313	K	82	Confident	85	Confident	70 Å²	70	62.6 Å²	62.6	30%	0.304	32%	0.315	S	S	.	.	B	Isolated β-bridge	trans	-135	127.7	166.8	-173.9	-179.3	177.9	-177.4	0	106.6	N315 L316 H332 N334 C335	K313-N315 PolarHBondContact O-N 3.03Å; K313-L316 PolarHBondContact N-O 2.87Å; K313-L316 VanDerWaalsContact N-O 3.1Å; K313-L316 PolarHBondContact O-N 2.91Å; K313-L316 VanDerWaalsContact O-O 3.1Å; K313-H332 HydrophobicContact CD-CB 4.42Å; K313-N334 HydrophobicContact CD-CB 4.4Å; K313-N334 PolarHBondContact NZ-O 3.08Å; K313-C335 PolarHBondContact NZ-SG 3.27Å
314	D	83.8	Confident	84.3	Confident	109 Å²	109	66.5 Å²	66.5	58%	0.583	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	54	38.5	-176.9	-48.7	-38	0	0	0	113.5	L316 N334	D314-L316 PolarHBondContact O-N 3.15Å; D314-L316 VanDerWaalsContact O-N 3.13Å; D314-N334 PolarHBondContact OD2-ND2 3Å
315	N	82.8	Confident	83.3	Confident	147 Å²	147	70.8 Å²	70.8	79%	0.786	35%	0.347	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.8	12.5	-174.8	-56.7	-41.3	0	0	0	115.4	K313	K313-N315 PolarHBondContact O-N 3.03Å
316	L	86.4	Confident	82.2	Confident	49 Å²	49	76.7 Å²	76.7	26%	0.257	39%	0.388	S	S	.	.	B	Isolated β-bridge	trans	-111.4	134.7	176.2	-65.7	172.9	0	0	0	110.8	A257 I258 K313 D314 H332	A257-L316 HydrophobicContact CB-CD2 4.17Å; I258-L316 HydrophobicContact CG1-CD2 3.58Å; K313-L316 PolarHBondContact N-O 2.87Å; K313-L316 VanDerWaalsContact N-O 3.1Å; K313-L316 PolarHBondContact O-N 2.91Å; K313-L316 VanDerWaalsContact O-O 3.1Å; D314-L316 PolarHBondContact O-N 3.15Å; D314-L316 VanDerWaalsContact O-N 3.13Å; L316-H332 PolarHBondContact O-CD2 3.2Å; L316-H332 PolarHBondContact O-NE2 3.08Å
317	P	87	Confident	81.6	Confident	2 Å²	2	82.6 Å²	82.6	1%	0.013	41%	0.409	C	S	.	.			trans	-72.3	165.9	169	31.3	-32.9	0	0	0	110.8	I258 V300 F301 I311 L312 S319	I258-P317 VanDerWaalsContact CD1-CD 3.43Å; I258-P317 HydrophobicContact CD1-CG 3.87Å; I258-P317 HydrophobicContact CG1-CG 4.23Å; I258-P317 HydrophobicContact CG2-CG 3.77Å; V300-P317 HydrophobicContact CG2-CB 4.17Å; V300-P317 HydrophobicContact CG2-CG 3.92Å; V300-P317 VanDerWaalsContact O-CB 3.27Å; V300-P317 WeakPolarHBondContact O-CB 3.35Å; F301-P317 HydrophobicContact CD1-CG 4.31Å; F301-P317 HydrophobicContact CE1-CG 4.21Å; I311-P317 WeakPolarHBondContact O-CA 3.45Å; L312-P317 HydrophobicContact CD2-CB 4.27Å; P317-S319 PolarHBondContact O-N 2.94Å
318	P	85.9	Confident	81.3	Confident	0 Å²	0	79.9 Å²	79.9	0%	0	39%	0.394	C	S	.	.			trans	-65.6	102.6	173	29.7	-36	0	0	0	109.9	E303 C305 I311 V330 V331	E303-P318 VanDerWaalsContact O-CG 3.26Å; E303-P318 WeakPolarHBondContact O-CG 3.09Å; C305-P318 HydrophobicContact CB-CB 4.26Å; I311-P318 WeakPolarHBondContact O-CD 3.19Å; P318-V330 HydrophobicContact CB-CG1 3.56Å; P318-V330 HydrophobicContact CG-CG1 3.57Å; P318-V331 WeakPolarHBondContact CA-O 3.33Å; P318-V331 VanDerWaalsContact CB-C 3.45Å; P318-V331 WeakPolarHBondContact CB-O 3.33Å
319	S	83.4	Confident	80.9	Confident	8 Å²	8	80.7 Å²	80.7	6%	0.056	39%	0.391	C	S	.	.			trans	-91.8	-21.4	-176.9	61.8	0	0	0	0	112.6	N265 Y297 P317	N265-S319 PolarHBondContact ND2-O 3.04Å; Y297-S319 VanDerWaalsContact CE1-O 3.31Å; Y297-S319 WeakPolarHBondContact CE1-O 3.32Å; Y297-S319 PolarHBondContact OH-O 2.82Å; P317-S319 PolarHBondContact O-N 2.94Å
320	F	83.6	Confident	80.9	Confident	37 Å²	37	74 Å²	74	16%	0.162	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	124.8	-177.6	-170.1	-97.3	0	0	0	110.3	E322 V331	F320-E322 HydrophobicContact CE1-CB 3.8Å; F320-E322 HydrophobicContact CZ-CB 4.4Å; F320-V331 HydrophobicContact CB-CG2 4.15Å; F320-V331 WeakPolarHBondContact CB-O 3.39Å; F320-V331 HydrophobicContact CD1-CG2 3.7Å; F320-V331 HydrophobicContact CG-CG2 4.36Å; F320-V331 PolarHBondContact N-O 3.19Å; F320-V331 PolarHBondContact O-N 3.21Å; F320-V331 VanDerWaalsContact O-N 3.13Å
321	R	81.4	Confident	80.9	Confident	9 Å²	9	67.3 Å²	67.3	3%	0.034	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	112.2	-175	-68.7	-173.1	178.5	-91.3	-5.4	109.4	W293 Y296 Y297 E303 M328 Y329 V330	W293-R321 PolarHBondContact NE1-O 2.89Å; Y296-R321 PolarHBondContact O-NH1 3.26Å; Y296-R321 PolarHBondContact O-NH2 3.34Å; Y297-R321 HydrophobicContact CE1-CG 4.48Å; Y297-R321 HydrophobicContact CE2-CG 4.42Å; E303-R321 IonicContact OE2-CZ 3.28Å; E303-R321 VanDerWaalsContact OE2-CZ 3.3Å; E303-R321 IonicContact OE2-NH1 2.89Å; E303-R321 PolarHBondContact OE2-NH1 2.95Å; E303-R321 IonicContact OE2-NH2 2.94Å; E303-R321 PolarHBondContact OE2-NH2 3.27Å; R321-M328 HydrophobicContact CB-CE 4.26Å; R321-M328 HydrophobicContact CB-CG 4.44Å; R321-M328 HydrophobicContact CB-SD 3.74Å; R321-Y329 WeakPolarHBondContact CA-O 3.28Å; R321-V330 HydrophobicContact CG-CG2 4.47Å
322	E	79.1	Confident	81	Confident	52 Å²	52	64 Å²	64	24%	0.243	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	132.3	179.5	-167.9	-179.9	161	0	0	110.1	F320 R324 M328 Y329	F320-E322 HydrophobicContact CE1-CB 3.8Å; F320-E322 HydrophobicContact CZ-CB 4.4Å; E322-R324 VanDerWaalsContact CD-NE 3.25Å; E322-R324 VanDerWaalsContact CD-NH2 3.32Å; E322-R324 HydrophobicContact CG-CG 4.21Å; E322-R324 PolarHBondContact O-N 3.05Å; E322-R324 IonicContact OE1-CZ 3.99Å; E322-R324 VanDerWaalsContact OE1-CZ 3.31Å; E322-R324 IonicContact OE1-NE 3.02Å; E322-R324 PolarHBondContact OE1-NE 3.2Å; E322-R324 IonicContact OE1-NH2 3.91Å; E322-R324 PolarHBondContact OE1-NH2 3.4Å; E322-R324 IonicContact OE2-CZ 2.78Å; E322-R324 IonicContact OE2-NE 2.72Å; E322-R324 IonicContact OE2-NH2 3.3Å; E322-R324 PolarHBondContact OE2-NH2 3.37Å; E322-M328 VanDerWaalsContact C-SD 3.6Å; E322-Y329 PolarHBondContact N-O 3.38Å; E322-Y329 WeakPolarHBondContact O-CB 3.27Å; E322-Y329 PolarHBondContact O-N 3.07Å
323	Y	71.7	Confident	80.7	Confident	83 Å²	83	64.7 Å²	64.7	33%	0.325	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	115.4	171.3	-97.1	-77.5	0	0	0	109.7	H289 S292 Y296 M328	H289-Y323 AromaticContact CE1-CD2 3.64Å; H289-Y323 AromaticContact CE1-CE2 3.97Å; S292-Y323 PolarHBondContact OG-OH 3.11Å; Y296-Y323 HydrophobicContact CD2-CE2 4.31Å; Y296-Y323 HydrophobicContact CE2-CE1 4.5Å; Y296-Y323 AromaticContact CE2-CE2 3.71Å; Y296-Y323 HydrophobicContact CE2-CE2 3.71Å; Y296-Y323 AromaticContact CE2-CZ 3.49Å; Y296-Y323 VanDerWaalsContact CE2-CZ 3.49Å; Y296-Y323 WeakPolarHBondContact CE2-OH 3.34Å; Y296-Y323 AromaticContact CZ-CZ 3.8Å; Y296-Y323 VanDerWaalsContact CZ-OH 3.28Å; Y296-Y323 PolarHBondContact OH-OH 2.88Å; Y323-M328 HydrophobicContact CD2-CE 3.47Å; Y323-M328 VanDerWaalsContact CD2-CE 3.47Å; Y323-M328 HydrophobicContact CD2-SD 4.13Å; Y323-M328 HydrophobicContact CE2-CE 3.38Å; Y323-M328 HydrophobicContact CG-CE 4.24Å; Y323-M328 HydrophobicContact CG-SD 4.4Å
324	R	71.7	Confident	80.7	Confident	131 Å²	131	66.6 Å²	66.6	49%	0.494	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	137.5	170.6	-67.9	-169.8	-178.7	170.2	8.9	109.6	E322 S326 K327	E322-R324 VanDerWaalsContact CD-NE 3.25Å; E322-R324 VanDerWaalsContact CD-NH2 3.32Å; E322-R324 HydrophobicContact CG-CG 4.21Å; E322-R324 PolarHBondContact O-N 3.05Å; E322-R324 IonicContact OE1-CZ 3.99Å; E322-R324 VanDerWaalsContact OE1-CZ 3.31Å; E322-R324 IonicContact OE1-NE 3.02Å; E322-R324 PolarHBondContact OE1-NE 3.2Å; E322-R324 IonicContact OE1-NH2 3.91Å; E322-R324 PolarHBondContact OE1-NH2 3.4Å; E322-R324 IonicContact OE2-CZ 2.78Å; E322-R324 IonicContact OE2-NE 2.72Å; E322-R324 IonicContact OE2-NH2 3.3Å; E322-R324 PolarHBondContact OE2-NH2 3.37Å; R324-S326 VanDerWaalsContact C-N 3.27Å; R324-S326 PolarHBondContact O-N 3.35Å; R324-S326 VanDerWaalsContact O-N 3.15Å; R324-K327 PolarHBondContact N-O 3.28Å; R324-K327 CarbonylContact O-C 3.55Å; R324-K327 PolarHBondContact O-N 3.06Å
325	D	66.1	Low	80.7	Confident	155 Å²	155	62.2 Å²	62.2	83%	0.829	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.7	46.2	173.1	-52.6	-33.7	0	0	0	114	K327	D325-K327 PolarHBondContact O-N 3.07Å
326	S	67.4	Low	80.2	Confident	124 Å²	124	65.1 Å²	65.1	87%	0.867	31%	0.308	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.1	5.7	-178.9	-52.6	0	0	0	0	115.7	R324	R324-S326 VanDerWaalsContact C-N 3.27Å; R324-S326 PolarHBondContact O-N 3.35Å; R324-S326 VanDerWaalsContact O-N 3.15Å
327	K	76.1	Confident	79.9	Confident	166 Å²	166	65.9 Å²	65.9	72%	0.722	31%	0.311	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.3	150.4	175.4	-67.4	-178.4	-178.6	176.4	0	110.5	R324 D325	R324-K327 PolarHBondContact N-O 3.28Å; R324-K327 CarbonylContact O-C 3.55Å; R324-K327 PolarHBondContact O-N 3.06Å; D325-K327 PolarHBondContact O-N 3.07Å
328	M	79.4	Confident	79.5	Confident	30 Å²	30	69.3 Å²	69.3	15%	0.148	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	118.2	171.9	-175.3	62.8	88.1	0	0	108.6	Y296 R321 E322 Y323 V330	Y296-M328 HydrophobicContact CD1-CB 4.18Å; Y296-M328 HydrophobicContact CD1-CE 4.19Å; Y296-M328 HydrophobicContact CD1-CG 4.11Å; Y296-M328 HydrophobicContact CD2-CE 3.19Å; Y296-M328 HydrophobicContact CE1-CB 3.98Å; Y296-M328 HydrophobicContact CE1-CE 4.48Å; Y296-M328 HydrophobicContact CE1-CG 4.39Å; Y296-M328 HydrophobicContact CE2-CE 3.61Å; Y296-M328 HydrophobicContact CG-CE 3.55Å; Y296-M328 HydrophobicContact CG-CG 4.29Å; R321-M328 HydrophobicContact CB-CE 4.26Å; R321-M328 HydrophobicContact CB-CG 4.44Å; R321-M328 HydrophobicContact CB-SD 3.74Å; E322-M328 VanDerWaalsContact C-SD 3.6Å; Y323-M328 HydrophobicContact CD2-CE 3.47Å; Y323-M328 VanDerWaalsContact CD2-CE 3.47Å; Y323-M328 HydrophobicContact CD2-SD 4.13Å; Y323-M328 HydrophobicContact CE2-CE 3.38Å; Y323-M328 HydrophobicContact CG-CE 4.24Å; Y323-M328 HydrophobicContact CG-SD 4.4Å; M328-V330 HydrophobicContact CG-CG2 4.01Å
329	Y	82.8	Confident	79.2	Confident	62 Å²	62	73.1 Å²	73.1	24%	0.243	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.5	174.1	-172.5	-110.8	0	0	0	109.5	C306 N307 R321 E322 V331	C306-Y329 HydrophobicContact CB-CD2 3.81Å; C306-Y329 HydrophobicContact CB-CE2 3.37Å; N307-Y329 PolarHBondContact ND2-OH 3.31Å; N307-Y329 PolarHBondContact OD1-OH 2.97Å; R321-Y329 WeakPolarHBondContact CA-O 3.28Å; E322-Y329 PolarHBondContact N-O 3.38Å; E322-Y329 WeakPolarHBondContact O-CB 3.27Å; E322-Y329 PolarHBondContact O-N 3.07Å; Y329-V331 HydrophobicContact CD1-CG1 3.85Å; Y329-V331 HydrophobicContact CD1-CG2 4.14Å; Y329-V331 HydrophobicContact CE1-CB 4.17Å; Y329-V331 HydrophobicContact CE1-CG1 3.19Å; Y329-V331 HydrophobicContact CE1-CG2 3.87Å; Y329-V331 HydrophobicContact CE2-CG1 4.14Å
330	V	86.2	Confident	78.9	Confident	8 Å²	8	76.9 Å²	76.9	5%	0.048	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	113.3	-171.5	178.5	0	0	0	0	108.7	E303 C305 C306 P318 R321 M328	E303-V330 HydrophobicContact CB-CG1 4.44Å; C305-V330 CarbonylContact C-O 3.55Å; C305-V330 WeakPolarHBondContact CA-O 3.46Å; C306-V330 PolarHBondContact N-O 3.46Å; C306-V330 PolarHBondContact SG-O 2.96Å; C306-V330 VanDerWaalsContact SG-O 3.41Å; P318-V330 HydrophobicContact CB-CG1 3.56Å; P318-V330 HydrophobicContact CG-CG1 3.57Å; R321-V330 HydrophobicContact CG-CG2 4.47Å; M328-V330 HydrophobicContact CG-CG2 4.01Å
331	V	89	Confident	78.6	Confident	0 Å²	0	79.4 Å²	79.4	0%	0	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	155.9	-177.6	-70.1	0	0	0	0	112.7	C306 P318 F320 Y329	C306-V331 HydrophobicContact CB-CG1 4.19Å; P318-V331 WeakPolarHBondContact CA-O 3.33Å; P318-V331 VanDerWaalsContact CB-C 3.45Å; P318-V331 WeakPolarHBondContact CB-O 3.33Å; F320-V331 HydrophobicContact CB-CG2 4.15Å; F320-V331 WeakPolarHBondContact CB-O 3.39Å; F320-V331 HydrophobicContact CD1-CG2 3.7Å; F320-V331 HydrophobicContact CG-CG2 4.36Å; F320-V331 PolarHBondContact N-O 3.19Å; F320-V331 PolarHBondContact O-N 3.21Å; F320-V331 VanDerWaalsContact O-N 3.13Å; Y329-V331 HydrophobicContact CD1-CG1 3.85Å; Y329-V331 HydrophobicContact CD1-CG2 4.14Å; Y329-V331 HydrophobicContact CE1-CB 4.17Å; Y329-V331 HydrophobicContact CE1-CG1 3.19Å; Y329-V331 HydrophobicContact CE1-CG2 3.87Å; Y329-V331 HydrophobicContact CE2-CG1 4.14Å
332	H	87.8	Confident	78.4	Confident	6 Å²	6	84.1 Å²	84.1	3%	0.028	40%	0.397	C	S	.	.			trans	-69	153.5	164.6	-57.8	114	0	0	0	110.2	C305 C308 K310 I311 K313 L316 N334 C335 R336	C305-H332 VanDerWaalsContact CB-CE1 3.42Å; C305-H332 WeakPolarHBondContact CB-CE1 3.48Å; C305-H332 WeakPolarHBondContact CB-ND1 3.39Å; C308-H332 PolarHBondContact SG-CE1 3.07Å; C308-H332 PolarHBondContact SG-ND1 2.93Å; K310-H332 PolarHBondContact O-CE1 3.4Å; K310-H332 VanDerWaalsContact O-CE1 3.26Å; I311-H332 PolarHBondContact O-NE2 3.12Å; I311-H332 VanDerWaalsContact O-NE2 3.14Å; K313-H332 HydrophobicContact CD-CB 4.42Å; L316-H332 PolarHBondContact O-CD2 3.2Å; L316-H332 PolarHBondContact O-NE2 3.08Å; H332-N334 VanDerWaalsContact C-N 3.28Å; H332-N334 PolarHBondContact O-N 3.45Å; H332-C335 HydrophobicContact CB-CB 4Å; H332-C335 CarbonylContact O-C 3.56Å; H332-C335 WeakPolarHBondContact O-CA 3.5Å; H332-C335 PolarHBondContact O-N 3.01Å; H332-R336 PolarHBondContact O-N 3.27Å
333	E	80.6	Confident	78.4	Confident	111 Å²	111	86.4 Å²	86.4	52%	0.519	41%	0.408	S	S	.	.	G	3₁₀ helix	trans	-57.9	-42.4	176.7	-163.9	162	177.2	0	0	111.6	H261 C335 R336	H261-E333 IonicContact CE1-OE2 2.7Å; H261-E333 PolarHBondContact CE1-OE2 3.27Å; H261-E333 VanDerWaalsContact CE1-OE2 3.28Å; H261-E333 IonicContact CG-OE2 2.96Å; H261-E333 IonicContact ND1-OE2 3.31Å; H261-E333 PolarHBondContact ND1-OE2 3.33Å; E333-C335 PolarHBondContact O-N 3.03Å; E333-R336 PolarHBondContact O-N 2.77Å
334	N	82.5	Confident	78.9	Confident	109 Å²	109	86.7 Å²	86.7	58%	0.583	41%	0.414	S	S	*	.	G	3₁₀ helix	trans	-75.3	4.4	174.9	-65.9	-14.7	0	0	0	114.5	K313 D314 H332	K313-N334 HydrophobicContact CD-CB 4.4Å; K313-N334 PolarHBondContact NZ-O 3.08Å; D314-N334 PolarHBondContact OD2-ND2 3Å; H332-N334 VanDerWaalsContact C-N 3.28Å; H332-N334 PolarHBondContact O-N 3.45Å
335	C	82.9	Confident	79.5	Confident	18 Å²	18	83 Å²	83	12%	0.122	41%	0.407	C	S	.	.	G	3₁₀ helix	trans	-122.2	7.1	-178.9	-67.8	0	0	0	0	112.2	N307 K313 H332 E333	N307-C335 HydrophobicContact CB-CB 4.36Å; N307-C335 PolarHBondContact ND2-O 2.63Å; K313-C335 PolarHBondContact NZ-SG 3.27Å; H332-C335 HydrophobicContact CB-CB 4Å; H332-C335 CarbonylContact O-C 3.56Å; H332-C335 WeakPolarHBondContact O-CA 3.5Å; H332-C335 PolarHBondContact O-N 3.01Å; E333-C335 PolarHBondContact O-N 3.03Å
336	R	73.3	Confident	80.7	Confident	207 Å²	207	76.5 Å²	76.5	78%	0.781	37%	0.369	S	S	*	.			trans	-64.7	0	-177.4	-176.4	174.1	-179.3	-175.6	1.1	112.9	H332 E333	H332-R336 PolarHBondContact O-N 3.27Å; E333-R336 PolarHBondContact O-N 2.77Å

Retrieved 336 of 336 residues in 282.9 ms (Link to these results)

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