A0A077Z7W7_TRITR Loading...

Ubiquitin conjugating enzyme family protein

AlphaFold DB , UniProt , Accession A0A077Z7W7, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 672 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	28.5	Very low	30.3	Very low	245 Å²	245	120.1 Å²	120.1	100%	1.207	78%	0.78	S	S	*	*				0	115.1	0	-63.4	-172.7	-167.7	0	0	107.4	T3	M1-T3 PolarHBondContact O-N 2.83Å
2	G	29.8	Very low	31.5	Very low	78 Å²	78	120 Å²	120	80%	0.804	76%	0.761	S	S	*	*			trans	-81.4	113.6	172	0	0	0	0	0	109.5	S4	G2-S4 VanDerWaalsContact C-N 3.34Å; G2-S4 PolarHBondContact O-N 3.14Å
3	T	28	Very low	32.6	Very low	128 Å²	128	125 Å²	125	79%	0.785	77%	0.769	S	S	*	*			trans	-69.1	98.7	158.4	39.4	0	0	0	0	107.4	M1 V5	M1-T3 PolarHBondContact O-N 2.83Å; T3-V5 VanDerWaalsContact C-N 3.26Å; T3-V5 PolarHBondContact O-N 2.94Å
4	S	28	Very low	34.1	Very low	114 Å²	114	122.7 Å²	122.7	80%	0.797	75%	0.745	S	S	*	*			trans	-60.2	94.6	161.3	38.7	0	0	0	0	107.6	G2 S6	G2-S4 VanDerWaalsContact C-N 3.34Å; G2-S4 PolarHBondContact O-N 3.14Å; S4-S6 PolarHBondContact O-N 3.07Å
5	V	29.3	Very low	35.5	Very low	109 Å²	109	125.9 Å²	125.9	66%	0.661	76%	0.756	S	S	*	*			trans	-68.4	91.1	175.7	178.3	0	0	0	0	106.9	T3 L7	T3-V5 VanDerWaalsContact C-N 3.26Å; T3-V5 PolarHBondContact O-N 2.94Å; V5-L7 HydrophobicContact CG1-CB 4.47Å; V5-L7 HydrophobicContact CG1-CD1 3.98Å; V5-L7 HydrophobicContact CG1-CG 3.83Å; V5-L7 PolarHBondContact O-N 3.44Å
6	S	27.8	Very low	37.7	Very low	113 Å²	113	120.1 Å²	120.1	79%	0.79	73%	0.73	S	S	*	*			trans	-68.9	70.7	167.5	-168.5	0	0	0	0	108.7	S4 A8	S4-S6 PolarHBondContact O-N 3.07Å; S6-A8 PolarHBondContact O-N 3.46Å
7	L	30.7	Very low	40.7	Very low	145 Å²	145	116 Å²	116	76%	0.759	71%	0.708	S	S	*	*			trans	-65.3	92.7	156.5	-90.3	161.1	0	0	0	105.8	V5 S9	V5-L7 HydrophobicContact CG1-CB 4.47Å; V5-L7 HydrophobicContact CG1-CD1 3.98Å; V5-L7 HydrophobicContact CG1-CG 3.83Å; V5-L7 PolarHBondContact O-N 3.44Å; L7-S9 PolarHBondContact O-N 3.37Å
8	A	28.2	Very low	43.4	Very low	91 Å²	91	110.1 Å²	110.1	75%	0.752	67%	0.672	S	S	*	*			trans	-62.4	81.3	164.4	0	0	0	0	0	107.9	S6 S10	S6-A8 PolarHBondContact O-N 3.46Å; A8-S10 PolarHBondContact O-N 2.88Å
9	S	34	Very low	45.9	Very low	75 Å²	75	104.9 Å²	104.9	52%	0.524	64%	0.64	S	S	.	*			trans	-64.8	117.2	176.7	58.6	0	0	0	0	107.8	L7	L7-S9 PolarHBondContact O-N 3.37Å
10	S	31.2	Very low	48.2	Very low	99 Å²	99	103.8 Å²	103.8	69%	0.692	63%	0.627	S	S	*	*			trans	-45.6	141.4	157.4	-58.7	0	0	0	0	108.7	A8 E12	A8-S10 PolarHBondContact O-N 2.88Å; S10-E12 VanDerWaalsContact C-N 3.35Å; S10-E12 PolarHBondContact O-N 3.28Å
11	P	37.8	Very low	50.2	Low	124 Å²	124	101.8 Å²	101.8	81%	0.805	61%	0.609	S	S	*	*			trans	-64.8	97.7	175.3	26.9	-33.2	0	0	0	108.9	Q13	P11-Q13 PolarHBondContact O-N 3.38Å
12	E	45	Very low	53.3	Low	119 Å²	119	90.1 Å²	90.1	56%	0.556	55%	0.551	S	S	*	*			trans	-56.2	120.9	164	-72.6	-171.4	157.7	0	0	106.7	S10 H14	S10-E12 VanDerWaalsContact C-N 3.35Å; S10-E12 PolarHBondContact O-N 3.28Å; E12-H14 VanDerWaalsContact C-N 3.28Å; E12-H14 PolarHBondContact O-N 2.7Å; E12-H14 IonicContact OE2-CE1 3.59Å; E12-H14 PolarHBondContact OE2-CE1 3.06Å; E12-H14 VanDerWaalsContact OE2-CE1 3.27Å
13	Q	45.8	Very low	56.3	Low	185 Å²	185	89.4 Å²	89.4	86%	0.864	53%	0.526	S	S	*	.			trans	-68	92.2	176.2	-73.2	-179.8	-46.3	0	0	108.1	P11 D15	P11-Q13 PolarHBondContact O-N 3.38Å; Q13-D15 VanDerWaalsContact C-N 3.26Å; Q13-D15 PolarHBondContact O-N 3.18Å
14	H	53.1	Low	59.3	Low	93 Å²	93	88.4 Å²	88.4	43%	0.431	51%	0.513	S	S	.	.			trans	-78.7	71.8	-175	-76.7	-32.8	0	0	0	111.3	E12 G16 R21	E12-H14 VanDerWaalsContact C-N 3.28Å; E12-H14 PolarHBondContact O-N 2.7Å; E12-H14 IonicContact OE2-CE1 3.59Å; E12-H14 PolarHBondContact OE2-CE1 3.06Å; E12-H14 VanDerWaalsContact OE2-CE1 3.27Å; H14-G16 VanDerWaalsContact C-N 3.27Å; H14-G16 PolarHBondContact O-N 2.95Å; H14-R21 PolarHBondContact CD2-NH1 3.13Å
15	D	56.1	Low	62.3	Low	170 Å²	170	83.7 Å²	83.7	91%	0.909	48%	0.478	S	S	*	.			trans	-64.4	87.8	166.2	-82.1	-22.4	0	0	0	109.9	Q13	Q13-D15 VanDerWaalsContact C-N 3.26Å; Q13-D15 PolarHBondContact O-N 3.18Å
16	G	70.8	Confident	65.2	Low	33 Å²	33	79.1 Å²	79.1	34%	0.34	45%	0.45	S	S	.	.	S	Bend	trans	160.4	136.2	177.2	0	0	0	0	0	113	H14 R21	H14-G16 VanDerWaalsContact C-N 3.27Å; H14-G16 PolarHBondContact O-N 2.95Å; G16-R21 PolarHBondContact O-NE 3.5Å
17	S	88.1	Confident	68.1	Low	51 Å²	51	81.2 Å²	81.2	36%	0.357	44%	0.441	S	S	.	.			trans	-56.8	156.4	174	66.4	0	0	0	0	111.4	V19 E20 R21	S17-V19 PolarHBondContact O-N 3Å; S17-V19 VanDerWaalsContact O-N 3.09Å; S17-E20 PolarHBondContact O-N 3.13Å; S17-E20 VanDerWaalsContact O-N 3.13Å; S17-E20 PolarHBondContact OG-N 3.03Å; S17-R21 PolarHBondContact O-N 3.27Å; S17-R21 VanDerWaalsContact O-N 3.11Å
18	P	88.5	Confident	70.7	Confident	10 Å²	10	77 Å²	77	7%	0.065	42%	0.417	C	S	.	.	H	α-helix	trans	-50.8	-36	174.4	-24.7	31.9	0	0	0	112.4	A22 I42 E50 L54	P18-A22 WeakPolarHBondContact O-CB 3.48Å; P18-A22 PolarHBondContact O-N 3.27Å; P18-I42 HydrophobicContact CB-CG2 3.99Å; P18-E50 HydrophobicContact CG-CB 4.37Å; P18-E50 HydrophobicContact CG-CG 4.21Å; P18-E50 WeakPolarHBondContact CG-OE1 3.25Å; P18-L54 HydrophobicContact CB-CD2 4.07Å; P18-L54 HydrophobicContact CB-CG 4.42Å
19	V	91.3	Very high	73	Confident	11 Å²	11	80.3 Å²	80.3	7%	0.067	42%	0.422	C	S	.	.	H	α-helix	trans	-61	-51.2	177.7	-178.7	0	0	0	0	112.5	S17 A22 K23 Q53 L54	S17-V19 PolarHBondContact O-N 3Å; S17-V19 VanDerWaalsContact O-N 3.09Å; V19-A22 PolarHBondContact O-N 2.93Å; V19-K23 HydrophobicContact CG1-CD 4.28Å; V19-K23 WeakPolarHBondContact O-CG 3.36Å; V19-K23 PolarHBondContact O-N 3.23Å; V19-Q53 HydrophobicContact CG2-CB 3.87Å; V19-Q53 WeakPolarHBondContact CG2-O 3.35Å; V19-L54 HydrophobicContact CG2-CD2 4.26Å
20	E	91.6	Very high	74.9	Confident	82 Å²	82	81 Å²	81	38%	0.383	43%	0.425	S	S	.	.	H	α-helix	trans	-71.5	-36.2	-179.1	-66	-49.8	125.6	0	0	112	S17 A22 K23 E24	S17-E20 PolarHBondContact O-N 3.13Å; S17-E20 VanDerWaalsContact O-N 3.13Å; S17-E20 PolarHBondContact OG-N 3.03Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 2.71Å; E20-K23 PolarHBondContact O-N 3.04Å; E20-K23 WeakPolarHBondContact OE1-CD 3.47Å; E20-K23 WeakPolarHBondContact OE1-CE 3.5Å; E20-K23 IonicContact OE1-NZ 2.79Å; E20-K23 PolarHBondContact OE1-NZ 3.19Å; E20-E24 PolarHBondContact O-N 2.92Å
21	R	91.5	Very high	77.3	Confident	62 Å²	62	77.2 Å²	77.2	23%	0.234	40%	0.397	C	S	.	.	H	α-helix	trans	-61	-41.9	172.7	-67.6	-171.1	-78.4	138.7	3	111.7	H14 G16 S17 I25 I42	H14-R21 PolarHBondContact CD2-NH1 3.13Å; G16-R21 PolarHBondContact O-NE 3.5Å; S17-R21 PolarHBondContact O-N 3.27Å; S17-R21 VanDerWaalsContact O-N 3.11Å; R21-I25 PolarHBondContact O-N 3.44Å; R21-I42 HydrophobicContact CB-CD1 3.85Å
22	A	93.1	Very high	79.5	Confident	0 Å²	0	77.8 Å²	77.8	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-69.6	-41	175.7	0	0	0	0	0	112.9	P18 V19 E20 E24 I25 L26 L39 L54 I59	P18-A22 WeakPolarHBondContact O-CB 3.48Å; P18-A22 PolarHBondContact O-N 3.27Å; V19-A22 PolarHBondContact O-N 2.93Å; E20-A22 VanDerWaalsContact C-N 3.34Å; E20-A22 PolarHBondContact O-N 2.71Å; A22-E24 PolarHBondContact O-N 2.99Å; A22-I25 PolarHBondContact O-N 2.84Å; A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 2.98Å; A22-L39 HydrophobicContact CB-CD1 3.68Å; A22-L54 HydrophobicContact CB-CD2 4.05Å; A22-I59 HydrophobicContact CB-CD1 3.65Å; A22-I59 HydrophobicContact CB-CG1 3.95Å; A22-I59 HydrophobicContact CB-CG2 3.92Å
23	K	92.4	Very high	81.3	Confident	63 Å²	63	75.2 Å²	75.2	27%	0.274	38%	0.379	S	S	.	.	H	α-helix	trans	-58	-45.8	174.6	-78.8	173.7	-170.5	164.1	0	111.8	V19 E20 I25 L26 R27 G57 I59	V19-K23 HydrophobicContact CG1-CD 4.28Å; V19-K23 WeakPolarHBondContact O-CG 3.36Å; V19-K23 PolarHBondContact O-N 3.23Å; E20-K23 PolarHBondContact O-N 3.04Å; E20-K23 WeakPolarHBondContact OE1-CD 3.47Å; E20-K23 WeakPolarHBondContact OE1-CE 3.5Å; E20-K23 IonicContact OE1-NZ 2.79Å; E20-K23 PolarHBondContact OE1-NZ 3.19Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 2.94Å; K23-L26 CarbonylContact O-C 3.52Å; K23-L26 PolarHBondContact O-N 3.28Å; K23-R27 WeakPolarHBondContact O-CG 3.45Å; K23-R27 PolarHBondContact O-N 3.24Å; K23-G57 WeakPolarHBondContact CE-O 3.4Å; K23-I59 HydrophobicContact CG-CD1 3.72Å
24	E	90.5	Very high	83.3	Confident	108 Å²	108	70 Å²	70	51%	0.505	36%	0.363	S	S	.	.	H	α-helix	trans	-68.2	-32.2	-177	-170.8	54.6	-150.9	0	0	112.6	E20 A22 R27	E20-E24 PolarHBondContact O-N 2.92Å; A22-E24 PolarHBondContact O-N 2.99Å; E24-R27 VanDerWaalsContact OE2-CD 3.31Å; E24-R27 WeakPolarHBondContact OE2-CD 3.07Å; E24-R27 IonicContact OE2-CZ 2.78Å; E24-R27 IonicContact OE2-NE 4Å; E24-R27 IonicContact OE2-NH1 3.98Å; E24-R27 PolarHBondContact OE2-NH1 3.36Å
25	I	92.1	Very high	85	Confident	15 Å²	15	65.7 Å²	65.7	8%	0.077	34%	0.343	C	S	.	.	H	α-helix	trans	-65.1	-48.7	168.7	-68.5	164.4	0	0	0	110.8	R21 A22 K23 R27 Q28 L31 R38 L39 I42	R21-I25 PolarHBondContact O-N 3.44Å; A22-I25 PolarHBondContact O-N 2.84Å; K23-I25 VanDerWaalsContact C-N 3.32Å; K23-I25 PolarHBondContact O-N 2.94Å; I25-R27 PolarHBondContact O-N 2.73Å; I25-Q28 WeakPolarHBondContact O-CB 3.47Å; I25-Q28 WeakPolarHBondContact O-CG 3.4Å; I25-Q28 PolarHBondContact O-N 3.34Å; I25-Q28 VanDerWaalsContact O-N 3.08Å; I25-L31 HydrophobicContact CG2-CD2 3.99Å; I25-L31 VanDerWaalsContact O-CD2 3.32Å; I25-L31 WeakPolarHBondContact O-CD2 3.35Å; I25-R38 HydrophobicContact CD1-CB 4Å; I25-L39 HydrophobicContact CD1-CB 4.17Å; I25-L39 HydrophobicContact CG2-CB 3.95Å; I25-L39 HydrophobicContact CG2-CD2 4.44Å; I25-I42 HydrophobicContact CD1-CD1 3.85Å
26	L	90.5	Very high	86.6	Confident	13 Å²	13	57.9 Å²	57.9	7%	0.068	30%	0.301	C	S	.	.	H	α-helix	trans	-72.3	-7	-176.1	-70.2	173.6	0	0	0	114.9	A22 K23 L39 I59 R62 I63 L66	A22-L26 WeakPolarHBondContact O-CB 3.41Å; A22-L26 WeakPolarHBondContact O-CG 3.25Å; A22-L26 PolarHBondContact O-N 2.98Å; K23-L26 CarbonylContact O-C 3.52Å; K23-L26 PolarHBondContact O-N 3.28Å; L26-L39 HydrophobicContact CD1-CD1 4.44Å; L26-L39 HydrophobicContact CD1-CD2 4.43Å; L26-L39 HydrophobicContact CD2-CD2 3.64Å; L26-L39 HydrophobicContact CG-CD1 4.4Å; L26-L39 HydrophobicContact CG-CD2 4.02Å; L26-I59 HydrophobicContact CD1-CD1 4.35Å; L26-I59 HydrophobicContact CD1-CG2 3.85Å; L26-R62 HydrophobicContact CB-CG 4.29Å; L26-R62 HydrophobicContact CD1-CB 4.26Å; L26-R62 HydrophobicContact CD1-CG 4.14Å; L26-I63 HydrophobicContact CD1-CG1 4.15Å; L26-I63 HydrophobicContact CD2-CG1 4.27Å; L26-L66 HydrophobicContact CD2-CD1 3.71Å
27	R	87.5	Confident	87.4	Confident	156 Å²	156	59.5 Å²	59.5	59%	0.589	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-17.6	167.9	-75.8	169.6	-173.8	145.1	4.3	113.5	K23 E24 I25	K23-R27 WeakPolarHBondContact O-CG 3.45Å; K23-R27 PolarHBondContact O-N 3.24Å; E24-R27 VanDerWaalsContact OE2-CD 3.31Å; E24-R27 WeakPolarHBondContact OE2-CD 3.07Å; E24-R27 IonicContact OE2-CZ 2.78Å; E24-R27 IonicContact OE2-NE 4Å; E24-R27 IonicContact OE2-NH1 3.98Å; E24-R27 PolarHBondContact OE2-NH1 3.36Å; I25-R27 PolarHBondContact O-N 2.73Å
28	Q	85.5	Confident	87.6	Confident	58 Å²	58	62.3 Å²	62.3	27%	0.271	31%	0.308	S	S	.	.			trans	-70.5	133	-175.7	-63.3	178.1	28.3	0	0	111.8	I25 L31 S35	I25-Q28 WeakPolarHBondContact O-CB 3.47Å; I25-Q28 WeakPolarHBondContact O-CG 3.4Å; I25-Q28 PolarHBondContact O-N 3.34Å; I25-Q28 VanDerWaalsContact O-N 3.08Å; Q28-L31 HydrophobicContact CB-CD2 4.37Å; Q28-S35 PolarHBondContact NE2-OG 3.2Å; Q28-S35 VanDerWaalsContact NE2-OG 3.16Å; Q28-S35 PolarHBondContact OE1-OG 3.48Å
29	N	77.2	Confident	87.8	Confident	160 Å²	160	62 Å²	62	86%	0.856	31%	0.305	S	S	*	.	S	Bend	trans	-136.6	113.9	174.1	-172	4.7	0	0	0	110.5
30	P	73.3	Confident	87.9	Confident	90 Å²	90	62.9 Å²	62.9	58%	0.584	31%	0.309	S	S	*	.	S	Bend	cis	-68.3	156.3	-6.5	30.3	-36	0	0	0	112.5	K32	P30-K32 PolarHBondContact O-N 3.04Å
31	L	81.4	Confident	87.9	Confident	19 Å²	19	64.6 Å²	64.6	10%	0.099	31%	0.311	C	S	.	.	P	Polyproline II helix	trans	-65.6	123.4	169.2	-89.5	163.4	0	0	0	110.1	I25 Q28 M36 L66 Q151 L155	I25-L31 HydrophobicContact CG2-CD2 3.99Å; I25-L31 VanDerWaalsContact O-CD2 3.32Å; I25-L31 WeakPolarHBondContact O-CD2 3.35Å; Q28-L31 HydrophobicContact CB-CD2 4.37Å; L31-M36 HydrophobicContact CB-CG 4.09Å; L31-M36 HydrophobicContact CB-SD 3.98Å; L31-M36 HydrophobicContact CD2-CG 4.23Å; L31-L66 HydrophobicContact CD1-CD1 4Å; L31-Q151 PolarHBondContact O-NE2 3.39Å; L31-Q151 VanDerWaalsContact O-NE2 3.15Å; L31-L155 HydrophobicContact CD1-CD2 4.43Å
32	K	85.2	Confident	88	Confident	136 Å²	136	62.3 Å²	62.3	59%	0.591	30%	0.304	S	S	*	.	P	Polyproline II helix	trans	-82.7	140.2	177.2	-60.5	178.4	-177.3	176.6	0	110.5	P30 S34 S35 M36	P30-K32 PolarHBondContact O-N 3.04Å; K32-S34 VanDerWaalsContact C-N 3.29Å; K32-S34 PolarHBondContact O-N 2.95Å; K32-S35 WeakPolarHBondContact O-CA 3.41Å; K32-S35 WeakPolarHBondContact O-CB 3.41Å; K32-S35 PolarHBondContact O-N 3.01Å; K32-M36 PolarHBondContact O-N 3.4Å
33	T	82.9	Confident	88	Confident	64 Å²	64	62.4 Å²	62.4	39%	0.393	30%	0.304	S	S	.	.	H	α-helix	trans	-53.9	-43.6	178.3	-34.9	0	0	0	0	112.3	S35 M36 V37 W154	T33-S35 PolarHBondContact O-N 2.9Å; T33-M36 HydrophobicContact CG2-CE 4.45Å; T33-M36 PolarHBondContact O-N 3.23Å; T33-M36 VanDerWaalsContact O-N 3.16Å; T33-V37 WeakPolarHBondContact O-CG2 3.47Å; T33-V37 PolarHBondContact O-N 2.76Å; T33-W154 HydrophobicContact CG2-CZ2 4.26Å
34	S	86.5	Confident	88	Confident	75 Å²	75	62.4 Å²	62.4	52%	0.524	31%	0.307	S	S	.	.	H	α-helix	trans	-68.9	-11	176.2	62	0	0	0	0	115	K32 R38	K32-S34 VanDerWaalsContact C-N 3.29Å; K32-S34 PolarHBondContact O-N 2.95Å; S34-R38 PolarHBondContact O-NE 3.3Å; S34-R38 PolarHBondContact O-NH2 2.95Å
35	S	89.9	Confident	88	Confident	3 Å²	3	62.6 Å²	62.6	2%	0.021	31%	0.308	C	S	.	.	H	α-helix	trans	-93.6	-38.5	169.4	-57.6	0	0	0	0	110.6	Q28 K32 T33 R38 L39	Q28-S35 PolarHBondContact NE2-OG 3.2Å; Q28-S35 VanDerWaalsContact NE2-OG 3.16Å; Q28-S35 PolarHBondContact OE1-OG 3.48Å; K32-S35 WeakPolarHBondContact O-CA 3.41Å; K32-S35 WeakPolarHBondContact O-CB 3.41Å; K32-S35 PolarHBondContact O-N 3.01Å; T33-S35 PolarHBondContact O-N 2.9Å; S35-R38 PolarHBondContact O-N 3.48Å; S35-R38 VanDerWaalsContact O-N 3.13Å; S35-L39 PolarHBondContact O-N 2.94Å
36	M	88.9	Confident	88	Confident	6 Å²	6	62.3 Å²	62.3	3%	0.03	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-42.2	175.9	-63	-171.6	-66.3	0	0	112.5	L31 K32 T33 R38 L39 E40 Q151 W154	L31-M36 HydrophobicContact CB-CG 4.09Å; L31-M36 HydrophobicContact CB-SD 3.98Å; L31-M36 HydrophobicContact CD2-CG 4.23Å; K32-M36 PolarHBondContact O-N 3.4Å; T33-M36 HydrophobicContact CG2-CE 4.45Å; T33-M36 PolarHBondContact O-N 3.23Å; T33-M36 VanDerWaalsContact O-N 3.16Å; M36-R38 PolarHBondContact O-N 3.18Å; M36-L39 WeakPolarHBondContact O-CB 3.45Å; M36-L39 PolarHBondContact O-N 2.86Å; M36-L39 VanDerWaalsContact O-N 3.11Å; M36-E40 PolarHBondContact O-N 3.5Å; M36-Q151 HydrophobicContact CE-CB 4.49Å; M36-Q151 HydrophobicContact CE-CG 3.8Å; M36-Q151 HydrophobicContact SD-CB 4.37Å; M36-Q151 HydrophobicContact SD-CG 4.03Å; M36-W154 HydrophobicContact CB-CB 3.85Å; M36-W154 HydrophobicContact CB-CD2 4.49Å; M36-W154 HydrophobicContact CB-CG 4.04Å; M36-W154 HydrophobicContact CE-CB 4.09Å; M36-W154 VanDerWaalsContact CE-CD1 3.47Å; M36-W154 HydrophobicContact CE-CG 3.93Å; M36-W154 HydrophobicContact CG-CB 4.39Å; M36-W154 HydrophobicContact SD-CB 3.81Å; M36-W154 HydrophobicContact SD-CG 4.3Å
37	V	88.3	Confident	88	Confident	68 Å²	68	66.3 Å²	66.3	41%	0.412	33%	0.33	S	S	.	.	H	α-helix	trans	-56.6	-39	171.5	173.3	0	0	0	0	111.7	T33 R41 W154	T33-V37 WeakPolarHBondContact O-CG2 3.47Å; T33-V37 PolarHBondContact O-N 2.76Å; V37-R41 WeakPolarHBondContact O-CB 3.37Å; V37-R41 PolarHBondContact O-N 3.29Å; V37-W154 HydrophobicContact CG2-CE3 4.2Å; V37-W154 HydrophobicContact CG2-CH2 3.51Å; V37-W154 HydrophobicContact CG2-CZ2 3.87Å; V37-W154 HydrophobicContact CG2-CZ3 3.69Å
38	R	91.3	Very high	88	Confident	110 Å²	110	60 Å²	60	42%	0.415	31%	0.309	S	S	.	.	H	α-helix	trans	-72.2	-35.2	176.9	-80.5	-177.7	-75	177.5	0.1	112.5	I25 S34 S35 M36 R41 I42	I25-R38 HydrophobicContact CD1-CB 4Å; S34-R38 PolarHBondContact O-NE 3.3Å; S34-R38 PolarHBondContact O-NH2 2.95Å; S35-R38 PolarHBondContact O-N 3.48Å; S35-R38 VanDerWaalsContact O-N 3.13Å; M36-R38 PolarHBondContact O-N 3.18Å; R38-R41 PolarHBondContact O-N 3.48Å; R38-I42 WeakPolarHBondContact O-CB 3.32Å; R38-I42 WeakPolarHBondContact O-CD1 3.4Å; R38-I42 WeakPolarHBondContact O-CG1 3.32Å; R38-I42 PolarHBondContact O-N 3.2Å
39	L	93.4	Very high	88.2	Confident	2 Å²	2	59 Å²	59	1%	0.01	32%	0.315	C	S	.	.	H	α-helix	trans	-64.2	-47.5	174	180	67.2	0	0	0	111.3	A22 I25 L26 S35 M36 R41 I42 I43 I63 A158	A22-L39 HydrophobicContact CB-CD1 3.68Å; I25-L39 HydrophobicContact CD1-CB 4.17Å; I25-L39 HydrophobicContact CG2-CB 3.95Å; I25-L39 HydrophobicContact CG2-CD2 4.44Å; L26-L39 HydrophobicContact CD1-CD1 4.44Å; L26-L39 HydrophobicContact CD1-CD2 4.43Å; L26-L39 HydrophobicContact CD2-CD2 3.64Å; L26-L39 HydrophobicContact CG-CD1 4.4Å; L26-L39 HydrophobicContact CG-CD2 4.02Å; S35-L39 PolarHBondContact O-N 2.94Å; M36-L39 WeakPolarHBondContact O-CB 3.45Å; M36-L39 PolarHBondContact O-N 2.86Å; M36-L39 VanDerWaalsContact O-N 3.11Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 2.79Å; L39-I42 PolarHBondContact O-N 3.41Å; L39-I43 HydrophobicContact CD1-CD1 3.88Å; L39-I43 HydrophobicContact CD1-CG1 4.46Å; L39-I43 HydrophobicContact CG-CD1 3.87Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.02Å; L39-I43 PolarHBondContact O-N 3.29Å; L39-I43 VanDerWaalsContact O-N 3.07Å; L39-I63 HydrophobicContact CD2-CD1 4.21Å; L39-I63 HydrophobicContact CD2-CG1 4.35Å; L39-A158 HydrophobicContact CD2-CB 4.48Å
40	E	92.2	Very high	88.9	Confident	31 Å²	31	54 Å²	54	15%	0.145	29%	0.286	C	S	.	.	H	α-helix	trans	-57.6	-48.4	175.8	-170.1	-167.9	122	0	0	110.8	M36 I42 I43 N44 W154 N157 A161 S166	M36-E40 PolarHBondContact O-N 3.5Å; E40-I42 PolarHBondContact O-N 3.48Å; E40-I43 PolarHBondContact O-N 3.05Å; E40-N44 WeakPolarHBondContact O-CB 3.35Å; E40-N44 PolarHBondContact O-N 3.4Å; E40-W154 WeakPolarHBondContact OE2-CZ3 3.37Å; E40-N157 HydrophobicContact CG-CB 4.49Å; E40-N157 VanDerWaalsContact OE2-CB 3.31Å; E40-N157 WeakPolarHBondContact OE2-CB 3.26Å; E40-A161 HydrophobicContact CG-CB 4.36Å; E40-S166 VanDerWaalsContact CD-CB 3.44Å; E40-S166 WeakPolarHBondContact OE1-CB 3.49Å; E40-S166 PolarHBondContact OE1-OG 2.93Å
41	R	92.1	Very high	89.8	Confident	117 Å²	117	50.5 Å²	50.5	44%	0.442	26%	0.262	S	S	.	.	H	α-helix	trans	-56.6	-50	175.7	-179.9	179.7	169.3	-169.2	-6.8	112.3	V37 R38 L39 I43 N44 E45	V37-R41 WeakPolarHBondContact O-CB 3.37Å; V37-R41 PolarHBondContact O-N 3.29Å; R38-R41 PolarHBondContact O-N 3.48Å; L39-R41 VanDerWaalsContact C-N 3.34Å; L39-R41 PolarHBondContact O-N 2.79Å; R41-I43 PolarHBondContact O-N 3.46Å; R41-N44 PolarHBondContact O-N 2.97Å; R41-E45 HydrophobicContact CG-CG 4.14Å; R41-E45 WeakPolarHBondContact CG-OE2 3.43Å; R41-E45 IonicContact CZ-OE1 3.24Å; R41-E45 VanDerWaalsContact CZ-OE1 3.24Å; R41-E45 IonicContact CZ-OE2 3.24Å; R41-E45 VanDerWaalsContact NE-CD 3.26Å; R41-E45 IonicContact NE-OE1 3.71Å; R41-E45 PolarHBondContact NE-OE1 3.22Å; R41-E45 IonicContact NE-OE2 2.74Å; R41-E45 PolarHBondContact NE-OE2 3.25Å; R41-E45 IonicContact NH2-OE1 2.86Å; R41-E45 PolarHBondContact NH2-OE1 3.27Å; R41-E45 IonicContact NH2-OE2 3.99Å; R41-E45 WeakPolarHBondContact O-CB 3.28Å; R41-E45 WeakPolarHBondContact O-CG 3.3Å; R41-E45 PolarHBondContact O-N 3.25Å
42	I	93.4	Very high	90.4	Very high	15 Å²	15	52.2 Å²	52.2	8%	0.077	27%	0.271	C	S	.	.	H	α-helix	trans	-57.5	-36.6	178.6	-72.2	160.6	0	0	0	111.6	P18 R21 I25 R38 L39 E40 A46	P18-I42 HydrophobicContact CB-CG2 3.99Å; R21-I42 HydrophobicContact CB-CD1 3.85Å; I25-I42 HydrophobicContact CD1-CD1 3.85Å; R38-I42 WeakPolarHBondContact O-CB 3.32Å; R38-I42 WeakPolarHBondContact O-CD1 3.4Å; R38-I42 WeakPolarHBondContact O-CG1 3.32Å; R38-I42 PolarHBondContact O-N 3.2Å; L39-I42 PolarHBondContact O-N 3.41Å; E40-I42 PolarHBondContact O-N 3.48Å; I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.11Å
43	I	94.2	Very high	90.7	Very high	1 Å²	1	50.6 Å²	50.6	1%	0.005	27%	0.265	C	S	.	.	H	α-helix	trans	-80.9	-33.6	-179	-64	167.1	0	0	0	111.9	L39 E40 R41 K51 L54 I59 I63 A158 A161 F162	L39-I43 HydrophobicContact CD1-CD1 3.88Å; L39-I43 HydrophobicContact CD1-CG1 4.46Å; L39-I43 HydrophobicContact CG-CD1 3.87Å; L39-I43 VanDerWaalsContact O-CG1 3.28Å; L39-I43 WeakPolarHBondContact O-CG1 3.02Å; L39-I43 PolarHBondContact O-N 3.29Å; L39-I43 VanDerWaalsContact O-N 3.07Å; E40-I43 PolarHBondContact O-N 3.05Å; R41-I43 PolarHBondContact O-N 3.46Å; I43-K51 VanDerWaalsContact O-CE 3.29Å; I43-K51 WeakPolarHBondContact O-CE 2.93Å; I43-L54 HydrophobicContact CG1-CD1 4.25Å; I43-I59 HydrophobicContact CD1-CG2 4.46Å; I43-I63 HydrophobicContact CD1-CD1 3.69Å; I43-A158 HydrophobicContact CD1-CB 4.16Å; I43-A161 HydrophobicContact CB-CB 4.24Å; I43-A161 HydrophobicContact CG2-CB 3.85Å; I43-F162 VanDerWaalsContact CG2-CA 3.44Å; I43-F162 HydrophobicContact CG2-CB 3.71Å; I43-F162 HydrophobicContact CG2-CD2 4.14Å; I43-F162 HydrophobicContact CG2-CG 4.44Å; I43-F162 VanDerWaalsContact CG2-N 3.3Å
44	N	91.3	Very high	91.3	Very high	63 Å²	63	47.6 Å²	47.6	34%	0.337	25%	0.247	S	C	.	.	H	α-helix	trans	-81.8	-22.5	179.5	-164.4	88.8	0	0	0	112.8	E40 R41 A161 S165 S166	E40-N44 WeakPolarHBondContact O-CB 3.35Å; E40-N44 PolarHBondContact O-N 3.4Å; R41-N44 PolarHBondContact O-N 2.97Å; N44-A161 HydrophobicContact CB-CB 3.85Å; N44-S165 VanDerWaalsContact OD1-CA 3.3Å; N44-S165 WeakPolarHBondContact OD1-CA 3.46Å; N44-S165 PolarHBondContact OD1-OG 2.76Å; N44-S166 PolarHBondContact OD1-N 2.81Å
45	E	91.3	Very high	91.6	Very high	112 Å²	112	44.2 Å²	44.2	52%	0.523	22%	0.223	S	C	.	.	S	Bend	trans	-83.1	-17.1	170.3	-71.5	177.9	156.3	0	0	113.1	R41	R41-E45 HydrophobicContact CG-CG 4.14Å; R41-E45 WeakPolarHBondContact CG-OE2 3.43Å; R41-E45 IonicContact CZ-OE1 3.24Å; R41-E45 VanDerWaalsContact CZ-OE1 3.24Å; R41-E45 IonicContact CZ-OE2 3.24Å; R41-E45 VanDerWaalsContact NE-CD 3.26Å; R41-E45 IonicContact NE-OE1 3.71Å; R41-E45 PolarHBondContact NE-OE1 3.22Å; R41-E45 IonicContact NE-OE2 2.74Å; R41-E45 PolarHBondContact NE-OE2 3.25Å; R41-E45 IonicContact NH2-OE1 2.86Å; R41-E45 PolarHBondContact NH2-OE1 3.27Å; R41-E45 IonicContact NH2-OE2 3.99Å; R41-E45 WeakPolarHBondContact O-CB 3.28Å; R41-E45 WeakPolarHBondContact O-CG 3.3Å; R41-E45 PolarHBondContact O-N 3.25Å
46	A	91.2	Very high	91.8	Very high	10 Å²	10	49.6 Å²	49.6	8%	0.083	25%	0.251	C	S	.	.			trans	-73.9	135.2	-173.2	0	0	0	0	0	113.8	I42 E50 K51 L54	I42-A46 WeakPolarHBondContact O-CB 3.48Å; I42-A46 PolarHBondContact O-N 3.11Å; A46-E50 WeakPolarHBondContact CA-OE2 3.27Å; A46-E50 HydrophobicContact CB-CB 3.88Å; A46-K51 HydrophobicContact CB-CG 4.05Å; A46-K51 WeakPolarHBondContact O-CE 3.44Å; A46-L54 HydrophobicContact CB-CD1 3.94Å
47	D	90.6	Very high	91.9	Very high	97 Å²	97	50.4 Å²	50.4	52%	0.519	26%	0.262	S	S	.	.			trans	-71.3	173.5	173	82.7	33.7	0	0	0	112.9	G49 E50 K51	D47-G49 VanDerWaalsContact C-N 3.31Å; D47-G49 PolarHBondContact O-N 3.12Å; D47-G49 VanDerWaalsContact OD1-CA 3.29Å; D47-G49 WeakPolarHBondContact OD1-CA 3.36Å; D47-G49 PolarHBondContact OD1-N 3.46Å; D47-E50 PolarHBondContact N-OE2 2.95Å; D47-E50 VanDerWaalsContact N-OE2 3.12Å; D47-E50 PolarHBondContact O-N 3.44Å; D47-E50 PolarHBondContact OD1-N 2.95Å; D47-K51 WeakPolarHBondContact O-CB 3.37Å; D47-K51 WeakPolarHBondContact O-CG 3.47Å; D47-K51 PolarHBondContact O-N 3.04Å
48	S	87.3	Confident	92.2	Very high	23 Å²	23	48.5 Å²	48.5	16%	0.161	26%	0.256	C	S	.	.	H	α-helix	trans	-64.9	-29.2	-177.3	-72.6	0	0	0	0	115.2	L52 E184	S48-L52 PolarHBondContact O-N 3.2Å; S48-E184 WeakPolarHBondContact CB-O 3.31Å; S48-E184 PolarHBondContact OG-O 3.02Å
49	G	89.2	Confident	92.4	Very high	37 Å²	37	43.5 Å²	43.5	38%	0.381	24%	0.237	S	C	.	.	H	α-helix	trans	-76.7	-40.9	172.9	0	0	0	0	0	111.7	D47 K51 L52 Q53	D47-G49 VanDerWaalsContact C-N 3.31Å; D47-G49 PolarHBondContact O-N 3.12Å; D47-G49 VanDerWaalsContact OD1-CA 3.29Å; D47-G49 WeakPolarHBondContact OD1-CA 3.36Å; D47-G49 PolarHBondContact OD1-N 3.46Å; G49-K51 VanDerWaalsContact C-N 3.35Å; G49-L52 PolarHBondContact O-N 3.34Å; G49-Q53 WeakPolarHBondContact O-CG 3.31Å; G49-Q53 PolarHBondContact O-N 2.92Å
50	E	92.7	Very high	92.4	Very high	56 Å²	56	43.5 Å²	43.5	26%	0.262	24%	0.237	S	C	.	.	H	α-helix	trans	-62.9	-39.3	171.6	-68.8	-172.2	125	0	0	111.8	P18 A46 D47 L52 Q53 L54	P18-E50 HydrophobicContact CG-CB 4.37Å; P18-E50 HydrophobicContact CG-CG 4.21Å; P18-E50 WeakPolarHBondContact CG-OE1 3.25Å; A46-E50 WeakPolarHBondContact CA-OE2 3.27Å; A46-E50 HydrophobicContact CB-CB 3.88Å; D47-E50 PolarHBondContact N-OE2 2.95Å; D47-E50 VanDerWaalsContact N-OE2 3.12Å; D47-E50 PolarHBondContact O-N 3.44Å; D47-E50 PolarHBondContact OD1-N 2.95Å; E50-L52 PolarHBondContact O-N 3.28Å; E50-Q53 CarbonylContact O-C 3.37Å; E50-Q53 WeakPolarHBondContact O-CA 3.37Å; E50-Q53 WeakPolarHBondContact O-CB 3.48Å; E50-Q53 PolarHBondContact O-N 3.25Å; E50-Q53 VanDerWaalsContact O-N 3.14Å; E50-L54 VanDerWaalsContact O-CG 3.3Å; E50-L54 WeakPolarHBondContact O-CG 3.33Å; E50-L54 PolarHBondContact O-N 2.92Å
51	K	93.5	Very high	92.5	Very high	16 Å²	16	46.4 Å²	46.4	7%	0.07	25%	0.247	C	C	.	.	H	α-helix	trans	-62.6	-39.6	171.8	-75.2	-179.3	174.1	-163.2	0	112	I43 A46 D47 G49 Q53 L54 L55 A161 F162 H187	I43-K51 VanDerWaalsContact O-CE 3.29Å; I43-K51 WeakPolarHBondContact O-CE 2.93Å; A46-K51 HydrophobicContact CB-CG 4.05Å; A46-K51 WeakPolarHBondContact O-CE 3.44Å; D47-K51 WeakPolarHBondContact O-CB 3.37Å; D47-K51 WeakPolarHBondContact O-CG 3.47Å; D47-K51 PolarHBondContact O-N 3.04Å; G49-K51 VanDerWaalsContact C-N 3.35Å; K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-Q53 PolarHBondContact O-N 2.84Å; K51-L54 PolarHBondContact O-N 2.84Å; K51-L55 PolarHBondContact O-N 3.47Å; K51-A161 PolarHBondContact NZ-O 3.45Å; K51-F162 HydrophobicContact CB-CE2 3.84Å; K51-F162 HydrophobicContact CB-CZ 4.1Å; K51-F162 HydrophobicContact CG-CD2 4.41Å; K51-F162 HydrophobicContact CG-CE2 4.21Å; K51-F162 PolarHBondContact NZ-O 2.94Å; K51-F162 WeakPolarHBondContact O-CE2 3.46Å; K51-F162 WeakPolarHBondContact O-CZ 3.45Å; K51-H187 HydrophobicContact CB-CB 3.74Å
52	L	92.2	Very high	92.7	Very high	55 Å²	55	45.7 Å²	45.7	29%	0.288	24%	0.244	S	C	.	.	H	α-helix	trans	-65.4	-36.4	172.2	-177.6	59.1	0	0	0	111.7	S48 G49 E50 L55 N56 H187	S48-L52 PolarHBondContact O-N 3.2Å; G49-L52 PolarHBondContact O-N 3.34Å; E50-L52 PolarHBondContact O-N 3.28Å; L52-L55 HydrophobicContact CD1-CD2 4.46Å; L52-L55 PolarHBondContact O-N 3.11Å; L52-N56 WeakPolarHBondContact O-CB 3.37Å; L52-N56 PolarHBondContact O-N 3.28Å; L52-N56 PolarHBondContact O-ND2 3.44Å; L52-H187 HydrophobicContact CB-CB 4.2Å
53	Q	93.3	Very high	92.7	Very high	101 Å²	101	45 Å²	45	47%	0.472	24%	0.241	S	C	.	.	H	α-helix	trans	-65.9	-37.1	170.9	-66.8	174.5	40.1	0	0	112.7	V19 G49 E50 K51 G57	V19-Q53 HydrophobicContact CG2-CB 3.87Å; V19-Q53 WeakPolarHBondContact CG2-O 3.35Å; G49-Q53 WeakPolarHBondContact O-CG 3.31Å; G49-Q53 PolarHBondContact O-N 2.92Å; E50-Q53 CarbonylContact O-C 3.37Å; E50-Q53 WeakPolarHBondContact O-CA 3.37Å; E50-Q53 WeakPolarHBondContact O-CB 3.48Å; E50-Q53 PolarHBondContact O-N 3.25Å; E50-Q53 VanDerWaalsContact O-N 3.14Å; K51-Q53 VanDerWaalsContact C-N 3.33Å; K51-Q53 PolarHBondContact O-N 2.84Å; Q53-G57 WeakPolarHBondContact O-CA 3.48Å; Q53-G57 PolarHBondContact O-N 3.06Å
54	L	94.5	Very high	92.8	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.005	24%	0.242	C	C	.	.	H	α-helix	trans	-66.1	-38.4	175.3	-71.3	167.1	0	0	0	111.6	P18 V19 A22 I43 A46 E50 K51 G58 I59 F162	P18-L54 HydrophobicContact CB-CD2 4.07Å; P18-L54 HydrophobicContact CB-CG 4.42Å; V19-L54 HydrophobicContact CG2-CD2 4.26Å; A22-L54 HydrophobicContact CB-CD2 4.05Å; I43-L54 HydrophobicContact CG1-CD1 4.25Å; A46-L54 HydrophobicContact CB-CD1 3.94Å; E50-L54 VanDerWaalsContact O-CG 3.3Å; E50-L54 WeakPolarHBondContact O-CG 3.33Å; E50-L54 PolarHBondContact O-N 2.92Å; K51-L54 PolarHBondContact O-N 2.84Å; L54-G58 PolarHBondContact O-N 2.98Å; L54-I59 HydrophobicContact CB-CB 4.33Å; L54-I59 HydrophobicContact CB-CG1 4.33Å; L54-I59 HydrophobicContact CD2-CB 4.31Å; L54-I59 HydrophobicContact CD2-CG1 3.76Å; L54-I59 HydrophobicContact CD2-CG2 4.37Å; L54-I59 VanDerWaalsContact O-CB 3.23Å; L54-I59 WeakPolarHBondContact O-CB 3.39Å; L54-I59 WeakPolarHBondContact O-CG1 3.38Å; L54-I59 PolarHBondContact O-N 2.57Å; L54-F162 HydrophobicContact CB-CE2 4.16Å
55	L	93.7	Very high	92.9	Very high	5 Å²	5	46 Å²	46	3%	0.026	24%	0.243	C	C	.	.	H	α-helix	trans	-63.2	-57.2	171.7	-179.9	63.2	0	0	0	111	K51 L52 G57 G58 V60 F162 V189 I192 I195	K51-L55 PolarHBondContact O-N 3.47Å; L52-L55 HydrophobicContact CD1-CD2 4.46Å; L52-L55 PolarHBondContact O-N 3.11Å; L55-G57 PolarHBondContact O-N 3.26Å; L55-G58 PolarHBondContact O-N 2.84Å; L55-V60 HydrophobicContact CB-CG2 4.34Å; L55-V60 HydrophobicContact CD1-CB 4Å; L55-V60 HydrophobicContact CD1-CG1 4.49Å; L55-V60 HydrophobicContact CD1-CG2 4.13Å; L55-F162 HydrophobicContact CB-CZ 4.13Å; L55-V189 HydrophobicContact CD2-CG2 3.65Å; L55-I192 HydrophobicContact CD1-CD1 4.24Å; L55-I192 HydrophobicContact CD1-CG1 3.91Å; L55-I192 HydrophobicContact CD2-CD1 4.17Å; L55-I192 HydrophobicContact CD2-CG1 4.03Å; L55-I195 HydrophobicContact CD1-CD1 4.31Å
56	N	93.1	Very high	92.9	Very high	115 Å²	115	41.9 Å²	41.9	62%	0.615	23%	0.225	S	C	*	.	H	α-helix	trans	-60.9	-30	-179.8	-66.9	-17.9	0	0	0	112.8	L52 G58	L52-N56 WeakPolarHBondContact O-CB 3.37Å; L52-N56 PolarHBondContact O-N 3.28Å; L52-N56 PolarHBondContact O-ND2 3.44Å; N56-G58 PolarHBondContact O-N 3.15Å
57	G	92.3	Very high	93.1	Very high	24 Å²	24	41.4 Å²	41.4	25%	0.247	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-76.6	0.1	174.2	0	0	0	0	0	114.9	K23 Q53 L55	K23-G57 WeakPolarHBondContact CE-O 3.4Å; Q53-G57 WeakPolarHBondContact O-CA 3.48Å; Q53-G57 PolarHBondContact O-N 3.06Å; L55-G57 PolarHBondContact O-N 3.26Å
58	G	93.9	Very high	93.1	Very high	28 Å²	28	37.5 Å²	37.5	29%	0.289	20%	0.201	S	C	.	.	T	Hydrogen-bonded Turn	trans	82.4	4.9	176.2	0	0	0	0	0	115.6	L54 L55 N56 R62	L54-G58 PolarHBondContact O-N 2.98Å; L55-G58 PolarHBondContact O-N 2.84Å; N56-G58 PolarHBondContact O-N 3.15Å; G58-R62 WeakPolarHBondContact O-CB 3.28Å; G58-R62 PolarHBondContact O-N 2.96Å
59	I	94.9	Very high	93.3	Very high	4 Å²	4	40.6 Å²	40.6	2%	0.021	22%	0.219	C	C	.	.	H	α-helix	trans	-64.2	-49.2	-173	-55.2	-55.3	0	0	0	111.3	A22 K23 L26 I43 L54 R62 I63	A22-I59 HydrophobicContact CB-CD1 3.65Å; A22-I59 HydrophobicContact CB-CG1 3.95Å; A22-I59 HydrophobicContact CB-CG2 3.92Å; K23-I59 HydrophobicContact CG-CD1 3.72Å; L26-I59 HydrophobicContact CD1-CD1 4.35Å; L26-I59 HydrophobicContact CD1-CG2 3.85Å; I43-I59 HydrophobicContact CD1-CG2 4.46Å; L54-I59 HydrophobicContact CB-CB 4.33Å; L54-I59 HydrophobicContact CB-CG1 4.33Å; L54-I59 HydrophobicContact CD2-CB 4.31Å; L54-I59 HydrophobicContact CD2-CG1 3.76Å; L54-I59 HydrophobicContact CD2-CG2 4.37Å; L54-I59 VanDerWaalsContact O-CB 3.23Å; L54-I59 WeakPolarHBondContact O-CB 3.39Å; L54-I59 WeakPolarHBondContact O-CG1 3.38Å; L54-I59 PolarHBondContact O-N 2.57Å; I59-R62 PolarHBondContact O-N 3.48Å; I59-I63 HydrophobicContact CG2-CD1 3.97Å; I59-I63 WeakPolarHBondContact O-CG1 3.44Å; I59-I63 PolarHBondContact O-N 3.25Å
60	V	93.9	Very high	93.2	Very high	2 Å²	2	40.3 Å²	40.3	1%	0.012	21%	0.209	C	C	.	.	H	α-helix	trans	-63	-46.3	-178.1	-173.5	0	0	0	0	110.8	L55 R62 I63 I64 L159 F162	L55-V60 HydrophobicContact CB-CG2 4.34Å; L55-V60 HydrophobicContact CD1-CB 4Å; L55-V60 HydrophobicContact CD1-CG1 4.49Å; L55-V60 HydrophobicContact CD1-CG2 4.13Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.3Å; V60-I63 PolarHBondContact O-N 3.32Å; V60-I64 HydrophobicContact CG1-CD1 3.96Å; V60-I64 WeakPolarHBondContact O-CG1 3.21Å; V60-I64 PolarHBondContact O-N 3.22Å; V60-L159 HydrophobicContact CG1-CD1 4.02Å; V60-F162 HydrophobicContact CG1-CD1 4.46Å; V60-F162 HydrophobicContact CG2-CD1 4.07Å; V60-F162 HydrophobicContact CG2-CD2 3.41Å; V60-F162 VanDerWaalsContact CG2-CD2 3.41Å; V60-F162 HydrophobicContact CG2-CE1 4Å; V60-F162 HydrophobicContact CG2-CE2 3.29Å; V60-F162 HydrophobicContact CG2-CG 3.81Å; V60-F162 HydrophobicContact CG2-CZ 3.62Å
61	R	94.8	Very high	92.9	Very high	92 Å²	92	37.9 Å²	37.9	35%	0.347	20%	0.198	S	C	.	.	H	α-helix	trans	-56.2	-45.6	174.5	-172.3	178.7	-72.7	-94.6	3.5	110.7	I64 E65 E191 I195	R61-I64 PolarHBondContact O-N 2.91Å; R61-E65 WeakPolarHBondContact O-CG 3.25Å; R61-E65 PolarHBondContact O-N 3.49Å; R61-E191 IonicContact CZ-OE1 2.78Å; R61-E191 IonicContact NE-OE1 3.63Å; R61-E191 IonicContact NH2-OE1 2.68Å; R61-E191 PolarHBondContact NH2-OE1 3.46Å; R61-I195 HydrophobicContact CB-CD1 4.17Å; R61-I195 HydrophobicContact CG-CD1 4.47Å
62	R	94.7	Very high	92.3	Very high	102 Å²	102	41 Å²	41	39%	0.385	22%	0.215	S	C	.	.	H	α-helix	trans	-67.1	-36	179.2	-174.4	55.9	-177.6	163.8	5	113.8	L26 G58 I59 V60 E65 L66	L26-R62 HydrophobicContact CB-CG 4.29Å; L26-R62 HydrophobicContact CD1-CB 4.26Å; L26-R62 HydrophobicContact CD1-CG 4.14Å; G58-R62 WeakPolarHBondContact O-CB 3.28Å; G58-R62 PolarHBondContact O-N 2.96Å; I59-R62 PolarHBondContact O-N 3.48Å; V60-R62 VanDerWaalsContact C-N 3.3Å; V60-R62 PolarHBondContact O-N 3.3Å; R62-E65 WeakPolarHBondContact CD-OE2 3.29Å; R62-E65 IonicContact CZ-OE2 3.91Å; R62-E65 IonicContact NE-OE2 3.99Å; R62-E65 IonicContact NH1-OE2 3.71Å; R62-E65 PolarHBondContact NH1-OE2 2.92Å; R62-L66 HydrophobicContact CG-CD1 4.35Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.47Å; R62-L66 PolarHBondContact O-N 3.4Å; R62-L66 VanDerWaalsContact O-N 3.08Å
63	I	95.1	Very high	91.2	Very high	2 Å²	2	41.6 Å²	41.6	1%	0.01	22%	0.223	C	C	.	.	H	α-helix	trans	-63.1	-46.1	173.1	-70.3	165.9	0	0	0	110	L26 L39 I43 I59 V60 L66 I67 L155 A158 L159	L26-I63 HydrophobicContact CD1-CG1 4.15Å; L26-I63 HydrophobicContact CD2-CG1 4.27Å; L39-I63 HydrophobicContact CD2-CD1 4.21Å; L39-I63 HydrophobicContact CD2-CG1 4.35Å; I43-I63 HydrophobicContact CD1-CD1 3.69Å; I59-I63 HydrophobicContact CG2-CD1 3.97Å; I59-I63 WeakPolarHBondContact O-CG1 3.44Å; I59-I63 PolarHBondContact O-N 3.25Å; V60-I63 PolarHBondContact O-N 3.32Å; I63-L66 PolarHBondContact O-N 3.04Å; I63-I67 HydrophobicContact CG2-CD1 3.98Å; I63-I67 WeakPolarHBondContact O-CG1 3.28Å; I63-I67 PolarHBondContact O-N 3.49Å; I63-L155 HydrophobicContact CG1-CD2 4.47Å; I63-L155 HydrophobicContact CG2-CB 4.38Å; I63-L155 HydrophobicContact CG2-CD2 4.19Å; I63-A158 HydrophobicContact CD1-CB 4.2Å; I63-L159 HydrophobicContact CG2-CB 4.32Å
64	I	95.1	Very high	89.8	Confident	4 Å²	4	37.3 Å²	37.3	2%	0.021	20%	0.203	C	C	.	.	H	α-helix	trans	-67.8	-36.6	-179.3	-67.1	169	0	0	0	112.1	V60 R61 S68 L159 I195 L196 I201	V60-I64 HydrophobicContact CG1-CD1 3.96Å; V60-I64 WeakPolarHBondContact O-CG1 3.21Å; V60-I64 PolarHBondContact O-N 3.22Å; R61-I64 PolarHBondContact O-N 2.91Å; I64-S68 WeakPolarHBondContact O-CB 3.48Å; I64-S68 PolarHBondContact O-N 2.72Å; I64-S68 PolarHBondContact O-OG 3.12Å; I64-L159 HydrophobicContact CD1-CD1 4.05Å; I64-L159 HydrophobicContact CD1-CD2 4.25Å; I64-L159 HydrophobicContact CG1-CD1 4.22Å; I64-L159 HydrophobicContact CG1-CD2 3.9Å; I64-I195 HydrophobicContact CB-CG2 4.12Å; I64-I195 HydrophobicContact CD1-CG2 3.59Å; I64-I195 HydrophobicContact CG1-CG2 4.45Å; I64-I195 HydrophobicContact CG2-CG2 3.95Å; I64-L196 HydrophobicContact CD1-CD2 3.95Å; I64-L196 HydrophobicContact CD1-CG 4.47Å; I64-I201 HydrophobicContact CB-CD1 4.4Å; I64-I201 HydrophobicContact CG1-CD1 3.99Å; I64-I201 HydrophobicContact CG2-CD1 3.91Å
65	E	93.1	Very high	88	Confident	80 Å²	80	38.8 Å²	38.8	37%	0.374	21%	0.213	S	C	.	.	H	α-helix	trans	-58.3	-45.3	168.9	-76.8	169.2	-161.5	0	0	112.2	R61 R62 S68 T69	R61-E65 WeakPolarHBondContact O-CG 3.25Å; R61-E65 PolarHBondContact O-N 3.49Å; R62-E65 WeakPolarHBondContact CD-OE2 3.29Å; R62-E65 IonicContact CZ-OE2 3.91Å; R62-E65 IonicContact NE-OE2 3.99Å; R62-E65 IonicContact NH1-OE2 3.71Å; R62-E65 PolarHBondContact NH1-OE2 2.92Å; E65-S68 PolarHBondContact O-N 3.17Å; E65-T69 WeakPolarHBondContact O-CB 3.43Å; E65-T69 PolarHBondContact O-N 3.3Å; E65-T69 PolarHBondContact O-OG1 3.29Å
66	L	92.5	Very high	86	Confident	26 Å²	26	41.2 Å²	41.2	14%	0.136	23%	0.234	C	C	.	.	H	α-helix	trans	-67.8	-44.1	-178.6	-74.6	167.2	0	0	0	111.8	L26 L31 R62 I63 S68 T69 L70 L155	L26-L66 HydrophobicContact CD2-CD1 3.71Å; L31-L66 HydrophobicContact CD1-CD1 4Å; R62-L66 HydrophobicContact CG-CD1 4.35Å; R62-L66 VanDerWaalsContact O-CG 3.29Å; R62-L66 WeakPolarHBondContact O-CG 3.47Å; R62-L66 PolarHBondContact O-N 3.4Å; R62-L66 VanDerWaalsContact O-N 3.08Å; I63-L66 PolarHBondContact O-N 3.04Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.37Å; L66-T69 PolarHBondContact O-N 3.06Å; L66-L70 WeakPolarHBondContact O-CB 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.26Å; L66-L155 HydrophobicContact CB-CD1 3.85Å; L66-L155 HydrophobicContact CB-CD2 4.47Å; L66-L155 HydrophobicContact CD1-CD2 4.37Å
67	I	94.2	Very high	83.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	22%	0.224	C	C	.	.	H	α-helix	trans	-55.3	-49.1	171.8	-66.2	167.2	0	0	0	109.9	I63 T69 L70 H71 L152 L155 M156 L159 I201 M204	I63-I67 HydrophobicContact CG2-CD1 3.98Å; I63-I67 WeakPolarHBondContact O-CG1 3.28Å; I63-I67 PolarHBondContact O-N 3.49Å; I67-T69 VanDerWaalsContact C-N 3.34Å; I67-T69 PolarHBondContact O-N 3.16Å; I67-L70 PolarHBondContact O-N 2.97Å; I67-H71 WeakPolarHBondContact O-CB 3.39Å; I67-H71 PolarHBondContact O-N 3.19Å; I67-L152 HydrophobicContact CB-CD2 4.41Å; I67-L152 HydrophobicContact CG2-CD2 4.03Å; I67-L155 HydrophobicContact CD1-CB 4.03Å; I67-L155 HydrophobicContact CG1-CB 3.58Å; I67-L155 HydrophobicContact CG1-CD1 4.28Å; I67-M156 HydrophobicContact CD1-CG 4.4Å; I67-L159 HydrophobicContact CD1-CD2 4.3Å; I67-I201 HydrophobicContact CD1-CD1 4.24Å; I67-I201 HydrophobicContact CG2-CD1 4.38Å; I67-I201 HydrophobicContact CG2-CG1 3.94Å; I67-M204 HydrophobicContact CG2-CE 3.63Å; I67-M204 HydrophobicContact CG2-SD 4Å
68	S	92.2	Very high	81.4	Confident	15 Å²	15	41 Å²	41	11%	0.105	23%	0.23	C	C	.	.	H	α-helix	trans	-65.2	-36.9	-178.4	-55.1	0	0	0	0	112.5	I64 E65 L66 N72 T200	I64-S68 WeakPolarHBondContact O-CB 3.48Å; I64-S68 PolarHBondContact O-N 2.72Å; I64-S68 PolarHBondContact O-OG 3.12Å; E65-S68 PolarHBondContact O-N 3.17Å; L66-S68 VanDerWaalsContact C-N 3.31Å; L66-S68 PolarHBondContact O-N 3.37Å; S68-N72 VanDerWaalsContact O-CB 3.23Å; S68-N72 WeakPolarHBondContact O-CB 3.21Å; S68-N72 PolarHBondContact O-N 3.41Å; S68-N72 PolarHBondContact O-ND2 3.41Å; S68-N72 VanDerWaalsContact O-ND2 3.15Å; S68-T200 WeakPolarHBondContact CA-OG1 3.41Å; S68-T200 PolarHBondContact OG-N 3.42Å
69	T	89.7	Confident	78.5	Confident	88 Å²	88	46.6 Å²	46.6	54%	0.54	25%	0.253	S	S	.	.	H	α-helix	trans	-67.7	-46.4	177.2	-56.9	0	0	0	0	111.8	E65 L66 I67 S73	E65-T69 WeakPolarHBondContact O-CB 3.43Å; E65-T69 PolarHBondContact O-N 3.3Å; E65-T69 PolarHBondContact O-OG1 3.29Å; L66-T69 PolarHBondContact O-N 3.06Å; I67-T69 VanDerWaalsContact C-N 3.34Å; I67-T69 PolarHBondContact O-N 3.16Å; T69-S73 PolarHBondContact O-N 3.12Å; T69-S73 VanDerWaalsContact O-N 3.13Å; T69-S73 PolarHBondContact O-OG 3Å
70	L	87.9	Confident	75.4	Confident	31 Å²	31	54.9 Å²	54.9	16%	0.162	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-39.6	177.7	-70.5	169.1	0	0	0	111.8	L66 I67 S73 R148 Q151 L152 L155	L66-L70 WeakPolarHBondContact O-CB 3.43Å; L66-L70 WeakPolarHBondContact O-CG 3.44Å; L66-L70 PolarHBondContact O-N 3.26Å; I67-L70 PolarHBondContact O-N 2.97Å; L70-S73 PolarHBondContact O-OG 3.43Å; L70-R148 HydrophobicContact CD2-CG 4.11Å; L70-Q151 HydrophobicContact CD1-CB 4.16Å; L70-L152 HydrophobicContact CB-CD1 4.41Å; L70-L152 HydrophobicContact CB-CD2 3.77Å; L70-L152 HydrophobicContact CB-CG 4.01Å; L70-L152 HydrophobicContact CD1-CD2 4.29Å; L70-L152 HydrophobicContact CD1-CG 4.33Å; L70-L155 HydrophobicContact CD1-CD1 3.65Å
71	H	85.8	Confident	72.4	Confident	5 Å²	5	58.3 Å²	58.3	2%	0.023	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-46	175.4	-177.8	72.2	0	0	0	112.6	I67 S73 W74 S75 M204	I67-H71 WeakPolarHBondContact O-CB 3.39Å; I67-H71 PolarHBondContact O-N 3.19Å; H71-S73 PolarHBondContact O-N 3.01Å; H71-W74 WeakPolarHBondContact O-CB 3.43Å; H71-W74 PolarHBondContact O-N 2.91Å; H71-W74 VanDerWaalsContact O-N 3.16Å; H71-S75 PolarHBondContact NE2-OG 3.47Å; H71-S75 PolarHBondContact O-N 2.92Å; H71-S75 PolarHBondContact O-OG 3.06Å; H71-M204 HydrophobicContact CB-SD 4.16Å; H71-M204 WeakPolarHBondContact ND1-CG 3.33Å
72	N	81.2	Confident	69.3	Low	82 Å²	82	58.7 Å²	58.7	44%	0.439	33%	0.33	S	S	.	.	H	α-helix	trans	-65.6	-38.5	-177.4	-76.8	-26.7	0	0	0	113.1	S68 W74 S75 A76	S68-N72 VanDerWaalsContact O-CB 3.23Å; S68-N72 WeakPolarHBondContact O-CB 3.21Å; S68-N72 PolarHBondContact O-N 3.41Å; S68-N72 PolarHBondContact O-ND2 3.41Å; S68-N72 VanDerWaalsContact O-ND2 3.15Å; N72-W74 PolarHBondContact O-N 2.93Å; N72-S75 PolarHBondContact O-N 3.22Å; N72-A76 WeakPolarHBondContact O-CB 3.5Å; N72-A76 PolarHBondContact O-N 3.07Å
73	S	69.5	Low	66.1	Low	66 Å²	66	60 Å²	60	46%	0.462	34%	0.342	S	S	.	.	H	α-helix	trans	-60.2	-33.4	174.4	59.8	0	0	0	0	112.7	T69 L70 H71 A77	T69-S73 PolarHBondContact O-N 3.12Å; T69-S73 VanDerWaalsContact O-N 3.13Å; T69-S73 PolarHBondContact O-OG 3Å; L70-S73 PolarHBondContact O-OG 3.43Å; H71-S73 PolarHBondContact O-N 3.01Å; S73-A77 PolarHBondContact O-N 2.68Å
74	W	63.5	Low	63	Low	11 Å²	11	67.4 Å²	67.4	4%	0.042	38%	0.382	C	S	.	.	H	α-helix	trans	-77.3	-42.7	175.5	177.7	62.3	0	0	0	113.4	H71 N72 A76 A77 K78 Y207 H208	H71-W74 WeakPolarHBondContact O-CB 3.43Å; H71-W74 PolarHBondContact O-N 2.91Å; H71-W74 VanDerWaalsContact O-N 3.16Å; N72-W74 PolarHBondContact O-N 2.93Å; W74-A76 VanDerWaalsContact C-N 3.29Å; W74-A76 PolarHBondContact O-N 3.33Å; W74-A77 PolarHBondContact O-N 2.88Å; W74-A77 VanDerWaalsContact O-N 3.13Å; W74-K78 HydrophobicContact CZ2-CD 4.34Å; W74-K78 PolarHBondContact O-N 2.83Å; W74-Y207 AromaticContact CH2-CD1 3.88Å; W74-Y207 HydrophobicContact CH2-CD1 3.88Å; W74-Y207 AromaticContact CH2-CE1 3.36Å; W74-Y207 HydrophobicContact CH2-CE1 3.36Å; W74-Y207 HydrophobicContact CZ2-CE1 4.36Å; W74-Y207 AromaticContact CZ3-CD1 3.74Å; W74-Y207 HydrophobicContact CZ3-CD1 3.74Å; W74-Y207 AromaticContact CZ3-CE1 3.59Å; W74-Y207 HydrophobicContact CZ3-CE1 3.59Å; W74-H208 AromaticContact CH2-CE1 3.32Å; W74-H208 WeakPolarHBondContact CH2-CE1 3.26Å; W74-H208 AromaticContact CH2-NE2 3.82Å; W74-H208 AromaticContact CZ3-CE1 3.4Å; W74-H208 VanDerWaalsContact CZ3-CE1 3.4Å; W74-H208 WeakPolarHBondContact CZ3-CE1 3.45Å; W74-H208 AromaticContact CZ3-NE2 3.38Å; W74-H208 WeakPolarHBondContact CZ3-NE2 3.2Å
75	S	56.8	Low	59.7	Low	32 Å²	32	71.4 Å²	71.4	22%	0.224	42%	0.423	C	S	.	.	H	α-helix	trans	-62.9	-36.2	176.8	-71.2	0	0	0	0	112	H71 N72 L79	H71-S75 PolarHBondContact NE2-OG 3.47Å; H71-S75 PolarHBondContact O-N 2.92Å; H71-S75 PolarHBondContact O-OG 3.06Å; N72-S75 PolarHBondContact O-N 3.22Å; S75-L79 PolarHBondContact O-N 3.39Å
76	A	50.9	Low	56.5	Low	57 Å²	57	72 Å²	72	47%	0.471	44%	0.437	S	S	.	.	H	α-helix	trans	-63.6	-45.9	169.6	0	0	0	0	0	112.2	N72 W74 K78 L79 E80	N72-A76 WeakPolarHBondContact O-CB 3.5Å; N72-A76 PolarHBondContact O-N 3.07Å; W74-A76 VanDerWaalsContact C-N 3.29Å; W74-A76 PolarHBondContact O-N 3.33Å; A76-K78 VanDerWaalsContact C-N 3.29Å; A76-K78 PolarHBondContact O-N 3.04Å; A76-L79 WeakPolarHBondContact O-CA 3.37Å; A76-L79 WeakPolarHBondContact O-CB 3.24Å; A76-L79 PolarHBondContact O-N 3.12Å; A76-E80 PolarHBondContact O-N 2.96Å
77	A	47.4	Very low	53.3	Low	49 Å²	49	79.1 Å²	79.1	41%	0.405	48%	0.475	S	S	.	.	H	α-helix	trans	-62.2	-31.3	179.3	0	0	0	0	0	113.6	S73 W74	S73-A77 PolarHBondContact O-N 2.68Å; W74-A77 PolarHBondContact O-N 2.88Å; W74-A77 VanDerWaalsContact O-N 3.13Å
78	K	43.2	Very low	50.1	Low	86 Å²	86	85 Å²	85	37%	0.374	51%	0.505	S	S	.	.	H	α-helix	trans	-73.4	-25	171.6	-83.5	-167.9	174.7	-173.8	0	113.8	W74 A76 S81 Y207	W74-K78 HydrophobicContact CZ2-CD 4.34Å; W74-K78 PolarHBondContact O-N 2.83Å; A76-K78 VanDerWaalsContact C-N 3.29Å; A76-K78 PolarHBondContact O-N 3.04Å; K78-S81 WeakPolarHBondContact O-CB 3.48Å; K78-S81 PolarHBondContact O-N 2.78Å; K78-Y207 VanDerWaalsContact CD-OH 3.22Å; K78-Y207 WeakPolarHBondContact CD-OH 3.48Å; K78-Y207 PolarHBondContact NZ-OH 3.45Å
79	L	32.3	Very low	46.8	Very low	145 Å²	145	92.5 Å²	92.5	76%	0.759	54%	0.544	S	S	*	.	H	α-helix	trans	-77.8	-17.8	176.3	-93.8	157.5	0	0	0	113.4	S75 A76 S81	S75-L79 PolarHBondContact O-N 3.39Å; A76-L79 WeakPolarHBondContact O-CA 3.37Å; A76-L79 WeakPolarHBondContact O-CB 3.24Å; A76-L79 PolarHBondContact O-N 3.12Å; L79-S81 PolarHBondContact O-N 3.3Å
80	E	29.3	Very low	43.8	Very low	177 Å²	177	97.3 Å²	97.3	83%	0.827	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79	6.5	170.2	-64.3	-162.5	148.9	0	0	113.8	A76	A76-E80 PolarHBondContact O-N 2.96Å
81	S	31.3	Very low	40.8	Very low	74 Å²	74	100.3 Å²	100.3	52%	0.517	59%	0.587	S	S	.	*	S	Bend	trans	-66.5	129.6	164.2	-173.4	0	0	0	0	109.9	K78 L79 M83	K78-S81 WeakPolarHBondContact O-CB 3.48Å; K78-S81 PolarHBondContact O-N 2.78Å; L79-S81 PolarHBondContact O-N 3.3Å; S81-M83 PolarHBondContact O-N 3.44Å
82	P	29.7	Very low	37.8	Very low	101 Å²	101	110 Å²	110	66%	0.656	63%	0.629	S	S	*	*	S	Bend	trans	-78.3	58.7	-168.8	33	-37.8	0	0	0	113.5	Y127	P82-Y127 PolarHBondContact O-OH 3.09Å
83	M	28.1	Very low	35.2	Very low	130 Å²	130	112.6 Å²	112.6	64%	0.64	65%	0.647	S	S	*	*			trans	-136	49.2	-178.7	-81.6	-69.8	-179.2	0	0	112.2	S81	S81-M83 PolarHBondContact O-N 3.44Å
84	N	28.3	Very low	33.1	Very low	157 Å²	157	115.1 Å²	115.1	84%	0.84	66%	0.662	S	S	*	*			trans	-163	123.6	149.1	-102.6	-36.7	0	0	0	111.8
85	G	26.5	Very low	31.2	Very low	87 Å²	87	123.2 Å²	123.2	90%	0.897	71%	0.705	S	S	*	*			trans	-99.4	91.4	174.4	0	0	0	0	0	111.6
86	S	27.4	Very low	29.8	Very low	94 Å²	94	126.2 Å²	126.2	66%	0.657	73%	0.732	S	S	*	*			trans	-143.9	132	169.3	53.1	0	0	0	0	111.3	I88	S86-I88 PolarHBondContact O-N 3.17Å
87	N	25.1	Very low	28.5	Very low	174 Å²	174	128.5 Å²	128.5	93%	0.93	75%	0.751	S	S	*	*			trans	-74.8	110.9	-175.2	-72.8	-48	0	0	0	111.3
88	I	26.4	Very low	27.5	Very low	124 Å²	124	131.6 Å²	131.6	64%	0.636	77%	0.77	S	S	*	*			trans	-133	114.4	161.5	-49.6	-179.8	0	0	0	109.2	S86 F90	S86-I88 PolarHBondContact O-N 3.17Å; I88-F90 HydrophobicContact CG2-CD2 3.74Å; I88-F90 HydrophobicContact CG2-CE2 3.53Å; I88-F90 HydrophobicContact CG2-CZ 4.45Å; I88-F90 PolarHBondContact O-N 3.35Å
89	N	23.3	Very low	26.5	Very low	172 Å²	172	139.4 Å²	139.4	92%	0.92	80%	0.797	S	S	*	*			trans	-74.2	111.1	172.1	-78.5	-46.3	0	0	0	109.7
90	F	26.7	Very low	26.3	Very low	190 Å²	190	138.6 Å²	138.6	83%	0.833	80%	0.802	S	S	*	*			trans	-105.4	139.3	163.4	-89	-75	0	0	0	111.5	I88	I88-F90 HydrophobicContact CG2-CD2 3.74Å; I88-F90 HydrophobicContact CG2-CE2 3.53Å; I88-F90 HydrophobicContact CG2-CZ 4.45Å; I88-F90 PolarHBondContact O-N 3.35Å
91	A	23.8	Very low	26	Very low	94 Å²	94	141.5 Å²	141.5	78%	0.777	81%	0.805	S	S	*	*			trans	-77.2	157.3	-170.7	0	0	0	0	0	113	V93	A91-V93 PolarHBondContact O-N 3.22Å
92	K	22.5	Very low	25.9	Very low	209 Å²	209	145.9 Å²	145.9	91%	0.909	82%	0.823	S	S	*	*			trans	-60.5	132	-180	-63.3	168.1	179.2	171.5	0	111.9
93	V	27.5	Very low	25.6	Very low	135 Å²	135	150.4 Å²	150.4	82%	0.818	84%	0.835	S	S	*	*			trans	-116.6	131.4	157.4	-178.5	0	0	0	0	107.4	A91	A91-V93 PolarHBondContact O-N 3.22Å
94	P	25.4	Very low	25.5	Very low	120 Å²	120	147.7 Å²	147.7	78%	0.779	84%	0.84	S	S	*	*			trans	-83.3	131.9	-167.8	31	-34.6	0	0	0	113.5	A96	P94-A96 PolarHBondContact O-N 2.87Å; P94-A96 VanDerWaalsContact O-N 3.13Å
95	L	24.1	Very low	25.4	Very low	180 Å²	180	150.4 Å²	150.4	94%	0.942	85%	0.845	S	S	*	*			trans	-71.8	99.1	165.9	-88.8	161.6	0	0	0	110.4	A97	L95-A97 PolarHBondContact O-N 3.49Å
96	A	26.2	Very low	25.3	Very low	95 Å²	95	151.6 Å²	151.6	79%	0.785	84%	0.835	S	S	*	*			trans	-71.8	112.1	170.4	0	0	0	0	0	110.3	P94 S98	P94-A96 PolarHBondContact O-N 2.87Å; P94-A96 VanDerWaalsContact O-N 3.13Å; A96-S98 PolarHBondContact O-N 3.4Å
97	A	23.9	Very low	25.3	Very low	105 Å²	105	154 Å²	154	87%	0.868	85%	0.845	S	S	*	*			trans	-81.8	115	-179.5	0	0	0	0	0	111.7	L95	L95-A97 PolarHBondContact O-N 3.49Å
98	S	27.5	Very low	25.2	Very low	114 Å²	114	153.9 Å²	153.9	80%	0.797	84%	0.839	S	S	*	*			trans	-108.4	123.6	165.2	61	0	0	0	0	110.7	A96	A96-S98 PolarHBondContact O-N 3.4Å
99	R	22	Very low	25.2	Very low	251 Å²	251	155.8 Å²	155.8	95%	0.947	85%	0.849	S	S	*	*			trans	-91.4	107.3	173.2	-73.4	174.2	171.2	167.4	-3.1	109.1
100	C	26.8	Very low	25.2	Very low	128 Å²	128	154 Å²	154	87%	0.865	85%	0.845	S	S	*	*			trans	-116.5	113	162	-82.4	0	0	0	0	110.4
101	R	23.1	Very low	25.2	Very low	237 Å²	237	151.5 Å²	151.5	89%	0.894	84%	0.844	S	S	*	*			trans	-85.8	134.3	159.8	-66.5	174.7	175.9	167.1	-2.7	107.5
102	N	29.2	Very low	25.4	Very low	166 Å²	166	150.5 Å²	150.5	89%	0.888	84%	0.843	S	S	*	*			trans	-158.7	161.7	146.4	-99.9	-24.5	0	0	0	110.1
103	H	25.1	Very low	25.5	Very low	196 Å²	196	152 Å²	152	91%	0.907	84%	0.844	S	S	*	*			trans	-114.6	160.1	-177.9	-77.8	-13	0	0	0	111.4
104	G	24.1	Very low	25.5	Very low	73 Å²	73	157.8 Å²	157.8	75%	0.753	85%	0.85	S	S	*	*			trans	102.5	118.7	175.8	0	0	0	0	0	111.6
105	F	26.8	Very low	25.5	Very low	214 Å²	214	162 Å²	162	94%	0.939	86%	0.857	S	S	*	*			cis	-128.4	173.1	26.4	-129.2	-107	0	0	0	113.6
106	V	23.8	Very low	25.5	Very low	113 Å²	113	157.9 Å²	157.9	69%	0.685	85%	0.848	S	S	*	*			trans	-124.6	127.6	-179.2	175.3	0	0	0	0	110.8	Q108	V106-Q108 HydrophobicContact CG1-CG 4.39Å
107	T	28.2	Very low	25.5	Very low	143 Å²	143	161.6 Å²	161.6	88%	0.877	86%	0.855	S	S	*	*			trans	-121.3	147.2	149.6	33.5	0	0	0	0	108.1
108	Q	23.6	Very low	25.5	Very low	172 Å²	172	161.3 Å²	161.3	80%	0.804	85%	0.853	S	S	*	*			trans	-92.8	117.4	-159.7	-66.2	173.2	-23.2	0	0	113.1	V106	V106-Q108 HydrophobicContact CG1-CG 4.39Å
109	I	25.8	Very low	25.4	Very low	164 Å²	164	165.2 Å²	165.2	84%	0.841	86%	0.861	S	S	*	*			trans	-126.4	131.1	146.4	-61.7	-177	0	0	0	107
110	T	23.2	Very low	25.5	Very low	135 Å²	135	157.5 Å²	157.5	83%	0.828	85%	0.851	S	S	*	*			trans	-99.6	98.6	-163.7	-56.7	0	0	0	0	111.8
111	V	27.7	Very low	25.4	Very low	137 Å²	137	159.1 Å²	159.1	83%	0.83	85%	0.85	S	S	*	*			trans	-124.9	141.2	167.2	-172.7	0	0	0	0	110.3
112	G	27.7	Very low	25.4	Very low	73 Å²	73	153 Å²	153	75%	0.753	84%	0.844	S	S	*	*			trans	-81.5	138.8	-164.1	0	0	0	0	0	115.9
113	R	23.5	Very low	25.2	Very low	242 Å²	242	150.8 Å²	150.8	91%	0.913	82%	0.823	S	S	*	*			trans	-50	143.9	171.3	-68.1	169.3	165.8	165.1	-5	113.6
114	R	28.9	Very low	25.2	Very low	255 Å²	255	144.8 Å²	144.8	96%	0.962	81%	0.814	S	S	*	*				-152.3	171.6	124.9	-108.2	157.3	-160.3	-148.9	2.9	112.1
115	K	24.7	Very low	25.3	Very low	209 Å²	209	149.7 Å²	149.7	91%	0.909	82%	0.822	S	S	*	*			trans	-101.2	156.2	-158.7	-70.6	-179.6	175.7	178.8	0	113.7
116	A	24.5	Very low	25.4	Very low	93 Å²	93	141 Å²	141	77%	0.769	79%	0.792	S	S	*	*			trans	-68.2	160.1	176.5	0	0	0	0	0	114.6
117	N	25.8	Very low	25.9	Very low	174 Å²	174	143.1 Å²	143.1	93%	0.93	79%	0.789	S	S	*	*			trans	-157.7	154.3	132.2	-106.9	-15.8	0	0	0	110.7
118	A	23.1	Very low	26.1	Very low	99 Å²	99	140.8 Å²	140.8	82%	0.818	78%	0.778	S	S	*	*			trans	-106.2	150.3	-169.3	0	0	0	0	0	113.4
119	M	25.6	Very low	26.5	Very low	195 Å²	195	138.1 Å²	138.1	96%	0.961	78%	0.777	S	S	*	*			trans	-161.2	149.4	146.6	-132	174.8	-177.2	0	0	110.1
120	A	24.5	Very low	26.7	Very low	90 Å²	90	131.3 Å²	131.3	74%	0.744	75%	0.747	S	S	*	*			trans	-123.3	140.2	179.2	0	0	0	0	0	110.6
121	L	23.6	Very low	27.2	Very low	162 Å²	162	128.4 Å²	128.4	85%	0.848	73%	0.733	S	S	*	*				-169.6	161.4	127.8	-138	66.2	0	0	0	111.4
122	S	23.7	Very low	27.7	Very low	109 Å²	109	128.6 Å²	128.6	76%	0.762	74%	0.735	S	S	*	*			trans	38.2	111.8	156.1	59.3	0	0	0	0	119.3
123	R	25.4	Very low	28.2	Very low	118 Å²	118	135.9 Å²	135.9	45%	0.445	74%	0.739	S	S	.	*			trans	-123.1	125.4	151.5	-70.6	-173.3	-177.9	174.9	3.1	109.7	S131 C134	R123-S131 PolarHBondContact NH2-O 2.92Å; R123-S131 PolarHBondContact NH2-OG 2.88Å; R123-C134 VanDerWaalsContact CZ-SG 3.58Å; R123-C134 PolarHBondContact NH1-SG 3.22Å; R123-C134 VanDerWaalsContact NH1-SG 3.4Å; R123-C134 PolarHBondContact NH2-SG 3.13Å
124	G	24.4	Very low	29.2	Very low	71 Å²	71	127.3 Å²	127.3	73%	0.732	72%	0.716	S	S	*	*			trans	-76.5	161.6	160.1	0	0	0	0	0	110.4	G126	G124-G126 VanDerWaalsContact C-N 3.29Å; G124-G126 PolarHBondContact O-N 3.46Å
125	I	26.8	Very low	30.2	Very low	176 Å²	176	123.9 Å²	123.9	90%	0.903	71%	0.711	S	S	*	*	S	Bend	trans	-76.2	86.3	175.1	-58.3	174.2	0	0	0	108.2
126	G	28.3	Very low	31.5	Very low	31 Å²	31	120.1 Å²	120.1	32%	0.32	69%	0.691	S	S	.	*			trans	-124.4	116.2	174	0	0	0	0	0	110.5	G124	G124-G126 VanDerWaalsContact C-N 3.29Å; G124-G126 PolarHBondContact O-N 3.46Å
127	Y	34.8	Very low	33.6	Very low	158 Å²	158	119.8 Å²	119.8	62%	0.62	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-54.5	149.2	151.5	-58.7	-82.6	0	0	0	108.2	P82 C129	P82-Y127 PolarHBondContact O-OH 3.09Å; Y127-C129 VanDerWaalsContact C-N 3.27Å; Y127-C129 PolarHBondContact O-N 3.44Å
128	S	32.6	Very low	35.6	Very low	94 Å²	94	113.8 Å²	113.8	66%	0.657	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	57.2	3.1	-173.7	68.5	0	0	0	0	120	E546	S128-E546 PolarHBondContact OG-OE1 2.97Å
129	C	31.6	Very low	37.8	Very low	115 Å²	115	116 Å²	116	78%	0.777	64%	0.637	S	S	*	*			trans	-132.4	26.2	178.9	-87.3	0	0	0	0	117.4	Y127	Y127-C129 VanDerWaalsContact C-N 3.27Å; Y127-C129 PolarHBondContact O-N 3.44Å
130	G	29.3	Very low	40.2	Very low	21 Å²	21	113.4 Å²	113.4	22%	0.216	62%	0.616	C	S	.	*	S	Bend	trans	-85.5	137.8	170.1	0	0	0	0	0	112.8
131	S	34.8	Very low	42.5	Very low	75 Å²	75	112.3 Å²	112.3	52%	0.524	59%	0.594	S	S	.	*			trans	-67.9	138.4	-176.6	67.9	0	0	0	0	113.8	R123 R133	R123-S131 PolarHBondContact NH2-O 2.92Å; R123-S131 PolarHBondContact NH2-OG 2.88Å; S131-R133 PolarHBondContact O-N 3.14Å
132	T	38.1	Very low	44.9	Very low	141 Å²	141	106 Å²	106	87%	0.865	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71	11.7	-176.5	50.1	0	0	0	0	115.3
133	R	39.2	Very low	47.5	Very low	225 Å²	225	107.1 Å²	107.1	85%	0.849	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.3	-1.4	179.7	-83.8	-171.8	173.6	178.6	-0.2	115.3	S131 Q135	S131-R133 PolarHBondContact O-N 3.14Å; R133-Q135 VanDerWaalsContact C-N 3.32Å; R133-Q135 PolarHBondContact O-N 3.16Å; R133-Q135 VanDerWaalsContact O-N 3.09Å
134	C	43.5	Very low	50.2	Low	62 Å²	62	105.9 Å²	105.9	42%	0.419	55%	0.553	S	S	.	*			trans	-76.4	90.4	160.5	-76.3	0	0	0	0	108.2	R123 W136	R123-C134 VanDerWaalsContact CZ-SG 3.58Å; R123-C134 PolarHBondContact NH1-SG 3.22Å; R123-C134 VanDerWaalsContact NH1-SG 3.4Å; R123-C134 PolarHBondContact NH2-SG 3.13Å; C134-W136 PolarHBondContact O-N 2.9Å
135	Q	49	Very low	52.9	Low	183 Å²	183	102.6 Å²	102.6	86%	0.855	52%	0.519	S	S	*	.			trans	-72.1	90	161.1	-69.1	-176	-64.8	0	0	107.1	R133 D137	R133-Q135 VanDerWaalsContact C-N 3.32Å; R133-Q135 PolarHBondContact O-N 3.16Å; R133-Q135 VanDerWaalsContact O-N 3.09Å; Q135-D137 PolarHBondContact O-N 3.34Å; Q135-D137 VanDerWaalsContact O-N 3.16Å
136	W	53.9	Low	55.6	Low	130 Å²	130	98.5 Å²	98.5	49%	0.492	50%	0.498	S	S	.	.			trans	-74.8	100.8	172.7	-153.9	84.7	0	0	0	107.7	C134 I138 Y141 E513	C134-W136 PolarHBondContact O-N 2.9Å; W136-I138 HydrophobicContact CE3-CB 4.17Å; W136-I138 HydrophobicContact CZ3-CB 4.06Å; W136-I138 HydrophobicContact CZ3-CD1 4.43Å; W136-I138 HydrophobicContact CZ3-CG1 4.04Å; W136-I138 PolarHBondContact O-N 3.48Å; W136-I138 VanDerWaalsContact O-N 3.15Å; W136-Y141 AromaticContact CH2-CD1 3.58Å; W136-Y141 HydrophobicContact CH2-CD1 3.58Å; W136-Y141 HydrophobicContact CH2-CD2 4.17Å; W136-Y141 HydrophobicContact CH2-CE1 4Å; W136-Y141 AromaticContact CH2-CG 3.68Å; W136-Y141 HydrophobicContact CH2-CG 3.68Å; W136-Y141 HydrophobicContact CZ2-CD1 4.38Å; W136-Y141 HydrophobicContact CZ2-CD2 4.17Å; W136-Y141 HydrophobicContact CZ2-CG 4.1Å; W136-Y141 HydrophobicContact CZ3-CD1 4.2Å; W136-Y141 HydrophobicContact CZ3-CG 4.35Å; W136-E513 HydrophobicContact CB-CB 4.48Å; W136-E513 HydrophobicContact CE3-CB 4.47Å
137	D	68	Low	58.3	Low	87 Å²	87	100.7 Å²	100.7	47%	0.465	51%	0.505	S	S	.	.			trans	-81.5	92.8	-174	-170.7	-22.6	0	0	0	109.5	Q135 E139 R140 Y141	Q135-D137 PolarHBondContact O-N 3.34Å; Q135-D137 VanDerWaalsContact O-N 3.16Å; D137-E139 VanDerWaalsContact C-N 3.33Å; D137-E139 PolarHBondContact OD1-N 2.71Å; D137-R140 HydrophobicContact CB-CB 3.95Å; D137-R140 PolarHBondContact O-N 2.88Å; D137-R140 WeakPolarHBondContact OD1-CB 3.45Å; D137-R140 PolarHBondContact OD1-N 3.07Å; D137-Y141 WeakPolarHBondContact O-CB 3.39Å; D137-Y141 PolarHBondContact O-N 2.85Å
138	I	67.1	Low	60.7	Low	48 Å²	48	95 Å²	95	25%	0.246	48%	0.482	C	S	.	.	H	α-helix	trans	-67.2	-33	-177	-170.9	165	0	0	0	112.5	W136 Y141 I142 N517 Y519	W136-I138 HydrophobicContact CE3-CB 4.17Å; W136-I138 HydrophobicContact CZ3-CB 4.06Å; W136-I138 HydrophobicContact CZ3-CD1 4.43Å; W136-I138 HydrophobicContact CZ3-CG1 4.04Å; W136-I138 PolarHBondContact O-N 3.48Å; W136-I138 VanDerWaalsContact O-N 3.15Å; I138-Y141 PolarHBondContact O-N 3.42Å; I138-I142 HydrophobicContact CG1-CD1 3.93Å; I138-I142 WeakPolarHBondContact O-CB 3.29Å; I138-I142 WeakPolarHBondContact O-CD1 3.49Å; I138-I142 VanDerWaalsContact O-CG1 3.23Å; I138-I142 WeakPolarHBondContact O-CG1 3.28Å; I138-I142 PolarHBondContact O-N 3.1Å; I138-I142 VanDerWaalsContact O-N 3.1Å; I138-N517 HydrophobicContact CD1-CB 4.29Å; I138-N517 VanDerWaalsContact CD1-CG 3.48Å; I138-N517 WeakPolarHBondContact CD1-OD1 3.36Å; I138-Y519 HydrophobicContact CD1-CD2 4.2Å; I138-Y519 HydrophobicContact CG1-CD2 4.5Å
139	E	69.3	Low	63.4	Low	144 Å²	144	91.2 Å²	91.2	67%	0.673	45%	0.454	S	S	*	.	H	α-helix	trans	-65.2	-51.3	177	-63.9	-179.3	173.3	0	0	108.9	D137 Y141 I142 E143	D137-E139 VanDerWaalsContact C-N 3.33Å; D137-E139 PolarHBondContact OD1-N 2.71Å; E139-Y141 PolarHBondContact O-N 2.97Å; E139-I142 PolarHBondContact O-N 3.34Å; E139-I142 VanDerWaalsContact O-N 3.12Å; E139-E143 PolarHBondContact O-N 3.19Å
140	R	75.4	Confident	66.2	Low	141 Å²	141	90.1 Å²	90.1	53%	0.532	44%	0.438	S	S	.	.	H	α-helix	trans	-61.6	-41	175.4	-177.4	178.6	166.3	-164.4	-10.7	113.4	D137 I142 E143 E144	D137-R140 HydrophobicContact CB-CB 3.95Å; D137-R140 PolarHBondContact O-N 2.88Å; D137-R140 WeakPolarHBondContact OD1-CB 3.45Å; D137-R140 PolarHBondContact OD1-N 3.07Å; R140-I142 PolarHBondContact O-N 3.33Å; R140-E143 PolarHBondContact O-N 3.45Å; R140-E144 HydrophobicContact CG-CG 4.27Å; R140-E144 IonicContact CZ-OE1 3.65Å; R140-E144 IonicContact NE-OE1 2.69Å; R140-E144 PolarHBondContact NE-OE1 2.92Å; R140-E144 IonicContact NH2-OE1 3.89Å; R140-E144 PolarHBondContact NH2-OE1 3.36Å; R140-E144 WeakPolarHBondContact O-CB 3.35Å; R140-E144 WeakPolarHBondContact O-CG 3.25Å; R140-E144 PolarHBondContact O-N 3.49Å
141	Y	74.7	Confident	69.1	Low	67 Å²	67	90.7 Å²	90.7	26%	0.263	44%	0.435	S	S	.	.	H	α-helix	trans	-60.8	-32.6	176.4	169.9	-100.4	0	0	0	112.1	W136 D137 I138 E139 T145	W136-Y141 AromaticContact CH2-CD1 3.58Å; W136-Y141 HydrophobicContact CH2-CD1 3.58Å; W136-Y141 HydrophobicContact CH2-CD2 4.17Å; W136-Y141 HydrophobicContact CH2-CE1 4Å; W136-Y141 AromaticContact CH2-CG 3.68Å; W136-Y141 HydrophobicContact CH2-CG 3.68Å; W136-Y141 HydrophobicContact CZ2-CD1 4.38Å; W136-Y141 HydrophobicContact CZ2-CD2 4.17Å; W136-Y141 HydrophobicContact CZ2-CG 4.1Å; W136-Y141 HydrophobicContact CZ3-CD1 4.2Å; W136-Y141 HydrophobicContact CZ3-CG 4.35Å; D137-Y141 WeakPolarHBondContact O-CB 3.39Å; D137-Y141 PolarHBondContact O-N 2.85Å; I138-Y141 PolarHBondContact O-N 3.42Å; E139-Y141 PolarHBondContact O-N 2.97Å; Y141-T145 VanDerWaalsContact O-CB 3.28Å; Y141-T145 WeakPolarHBondContact O-CB 3.5Å; Y141-T145 PolarHBondContact O-N 2.73Å; Y141-T145 PolarHBondContact O-OG1 2.81Å
142	I	72.4	Confident	71.8	Confident	31 Å²	31	87.3 Å²	87.3	16%	0.159	41%	0.411	C	S	.	.	H	α-helix	trans	-77.3	-43.3	177.1	-70.8	170.4	0	0	0	110.9	I138 E139 R140 E144 T145 I146 Y519	I138-I142 HydrophobicContact CG1-CD1 3.93Å; I138-I142 WeakPolarHBondContact O-CB 3.29Å; I138-I142 WeakPolarHBondContact O-CD1 3.49Å; I138-I142 VanDerWaalsContact O-CG1 3.23Å; I138-I142 WeakPolarHBondContact O-CG1 3.28Å; I138-I142 PolarHBondContact O-N 3.1Å; I138-I142 VanDerWaalsContact O-N 3.1Å; E139-I142 PolarHBondContact O-N 3.34Å; E139-I142 VanDerWaalsContact O-N 3.12Å; R140-I142 PolarHBondContact O-N 3.33Å; I142-E144 PolarHBondContact O-N 2.89Å; I142-T145 CarbonylContact O-C 3.58Å; I142-T145 WeakPolarHBondContact O-CA 3.49Å; I142-T145 WeakPolarHBondContact O-CB 3.33Å; I142-T145 PolarHBondContact O-N 3.38Å; I142-I146 HydrophobicContact CG2-CD1 3.82Å; I142-I146 HydrophobicContact CG2-CG1 4.38Å; I142-I146 WeakPolarHBondContact O-CG1 3.46Å; I142-I146 PolarHBondContact O-N 2.99Å; I142-Y519 HydrophobicContact CD1-CD1 3.8Å; I142-Y519 HydrophobicContact CD1-CD2 3.35Å; I142-Y519 HydrophobicContact CD1-CE1 3.73Å; I142-Y519 HydrophobicContact CD1-CE2 3.28Å; I142-Y519 HydrophobicContact CD1-CG 3.62Å; I142-Y519 VanDerWaalsContact CD1-CZ 3.47Å
143	E	79.1	Confident	74.5	Confident	131 Å²	131	81.2 Å²	81.2	61%	0.612	38%	0.375	S	S	*	.	H	α-helix	trans	-56.1	-50.3	170.7	-69.2	-176.5	158.7	0	0	111.8	E139 R140 T145 I146 V147	E139-E143 PolarHBondContact O-N 3.19Å; R140-E143 PolarHBondContact O-N 3.45Å; E143-T145 PolarHBondContact O-N 3.02Å; E143-T145 VanDerWaalsContact O-N 3.11Å; E143-I146 PolarHBondContact O-N 3.49Å; E143-V147 WeakPolarHBondContact O-CG2 3.46Å; E143-V147 PolarHBondContact O-N 3.38Å
144	E	82.5	Confident	77.1	Confident	92 Å²	92	74 Å²	74	43%	0.43	35%	0.347	S	S	.	.	H	α-helix	trans	-64.2	-13.9	176.4	-72.8	-176.3	177	0	0	113.3	R140 I142 R148	R140-E144 HydrophobicContact CG-CG 4.27Å; R140-E144 IonicContact CZ-OE1 3.65Å; R140-E144 IonicContact NE-OE1 2.69Å; R140-E144 PolarHBondContact NE-OE1 2.92Å; R140-E144 IonicContact NH2-OE1 3.89Å; R140-E144 PolarHBondContact NH2-OE1 3.36Å; R140-E144 WeakPolarHBondContact O-CB 3.35Å; R140-E144 WeakPolarHBondContact O-CG 3.25Å; R140-E144 PolarHBondContact O-N 3.49Å; I142-E144 PolarHBondContact O-N 2.89Å; E144-R148 VanDerWaalsContact C-NH2 3.34Å; E144-R148 WeakPolarHBondContact O-CB 3.38Å; E144-R148 PolarHBondContact O-NH2 3.36Å
145	T	81.5	Confident	79.5	Confident	3 Å²	3	71.1 Å²	71.1	2%	0.018	33%	0.328	C	S	.	.	H	α-helix	trans	-94.4	-41	174.7	-65.3	0	0	0	0	112.1	Y141 I142 E143 R148 E149	Y141-T145 VanDerWaalsContact O-CB 3.28Å; Y141-T145 WeakPolarHBondContact O-CB 3.5Å; Y141-T145 PolarHBondContact O-N 2.73Å; Y141-T145 PolarHBondContact O-OG1 2.81Å; I142-T145 CarbonylContact O-C 3.58Å; I142-T145 WeakPolarHBondContact O-CA 3.49Å; I142-T145 WeakPolarHBondContact O-CB 3.33Å; I142-T145 PolarHBondContact O-N 3.38Å; E143-T145 PolarHBondContact O-N 3.02Å; E143-T145 VanDerWaalsContact O-N 3.11Å; T145-R148 WeakPolarHBondContact O-CB 3.45Å; T145-R148 PolarHBondContact O-N 2.87Å; T145-R148 PolarHBondContact OG1-NH1 3.5Å; T145-R148 PolarHBondContact OG1-NH2 2.91Å; T145-E149 HydrophobicContact CG2-CG 4.48Å; T145-E149 WeakPolarHBondContact CG2-OE1 3.08Å; T145-E149 WeakPolarHBondContact O-CB 3.45Å; T145-E149 WeakPolarHBondContact O-CG 3.15Å; T145-E149 PolarHBondContact O-N 3.01Å
146	I	82.6	Confident	81.8	Confident	89 Å²	89	62.4 Å²	62.4	46%	0.456	29%	0.287	S	S	.	.	H	α-helix	trans	-60.4	-49.4	174.6	-68.2	165	0	0	0	110.1	I142 E143 R148 E149 E150	I142-I146 HydrophobicContact CG2-CD1 3.82Å; I142-I146 HydrophobicContact CG2-CG1 4.38Å; I142-I146 WeakPolarHBondContact O-CG1 3.46Å; I142-I146 PolarHBondContact O-N 2.99Å; E143-I146 PolarHBondContact O-N 3.49Å; I146-R148 PolarHBondContact O-N 2.72Å; I146-E149 PolarHBondContact O-N 2.97Å; I146-E149 VanDerWaalsContact O-N 3.12Å; I146-E150 PolarHBondContact O-N 2.83Å
147	V	85.1	Confident	83.7	Confident	78 Å²	78	57.7 Å²	57.7	47%	0.473	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-33.3	178.6	174.2	0	0	0	0	112.1	E143 Q151	E143-V147 WeakPolarHBondContact O-CG2 3.46Å; E143-V147 PolarHBondContact O-N 3.38Å; V147-Q151 WeakPolarHBondContact O-CG 3.43Å; V147-Q151 PolarHBondContact O-N 2.9Å; V147-Q151 VanDerWaalsContact O-N 3.11Å
148	R	86	Confident	85	Confident	38 Å²	38	53.6 Å²	53.6	14%	0.143	25%	0.25	C	S	.	.	H	α-helix	trans	-72.9	-39.1	177.1	-164	-165.6	-44.9	117.8	10.9	111.9	L70 E144 T145 I146 Q151 L152	L70-R148 HydrophobicContact CD2-CG 4.11Å; E144-R148 VanDerWaalsContact C-NH2 3.34Å; E144-R148 WeakPolarHBondContact O-CB 3.38Å; E144-R148 PolarHBondContact O-NH2 3.36Å; T145-R148 WeakPolarHBondContact O-CB 3.45Å; T145-R148 PolarHBondContact O-N 2.87Å; T145-R148 PolarHBondContact OG1-NH1 3.5Å; T145-R148 PolarHBondContact OG1-NH2 2.91Å; I146-R148 PolarHBondContact O-N 2.72Å; R148-Q151 PolarHBondContact O-N 3.18Å; R148-L152 WeakPolarHBondContact O-CG 3.49Å; R148-L152 PolarHBondContact O-N 3.4Å
149	E	88.4	Confident	86.4	Confident	14 Å²	14	51.4 Å²	51.4	7%	0.065	24%	0.239	C	C	.	.	H	α-helix	trans	-73.5	-34.5	178.7	-73.4	170.6	-166.4	0	0	111.5	T145 I146 L152 A153 R220 F223	T145-E149 HydrophobicContact CG2-CG 4.48Å; T145-E149 WeakPolarHBondContact CG2-OE1 3.08Å; T145-E149 WeakPolarHBondContact O-CB 3.45Å; T145-E149 WeakPolarHBondContact O-CG 3.15Å; T145-E149 PolarHBondContact O-N 3.01Å; I146-E149 PolarHBondContact O-N 2.97Å; I146-E149 VanDerWaalsContact O-N 3.12Å; E149-L152 PolarHBondContact O-N 3.19Å; E149-A153 WeakPolarHBondContact O-CB 3.39Å; E149-A153 PolarHBondContact O-N 3.32Å; E149-R220 IonicContact OE1-CZ 3.27Å; E149-R220 IonicContact OE1-NH1 2.83Å; E149-R220 PolarHBondContact OE1-NH1 2.94Å; E149-R220 IonicContact OE1-NH2 2.82Å; E149-R220 VanDerWaalsContact OE2-CD 3.25Å; E149-R220 WeakPolarHBondContact OE2-CD 3.41Å; E149-R220 IonicContact OE2-CZ 2.63Å; E149-R220 IonicContact OE2-NE 3.88Å; E149-R220 PolarHBondContact OE2-NE 2.91Å; E149-R220 IonicContact OE2-NH1 2.98Å; E149-R220 PolarHBondContact OE2-NH1 2.77Å; E149-R220 VanDerWaalsContact OE2-NH1 3.08Å; E149-R220 IonicContact OE2-NH2 3.85Å; E149-F223 HydrophobicContact CB-CD2 4.23Å; E149-F223 HydrophobicContact CG-CD2 4.48Å
150	E	89.6	Confident	87.6	Confident	93 Å²	93	44.5 Å²	44.5	44%	0.435	21%	0.207	S	C	.	.	H	α-helix	trans	-59.5	-51	165.3	-73.5	-170.8	167.9	0	0	111.7	I146 L152 A153 W154	I146-E150 PolarHBondContact O-N 2.83Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.12Å; E150-A153 WeakPolarHBondContact O-CB 3.45Å; E150-A153 PolarHBondContact O-N 3.03Å; E150-A153 VanDerWaalsContact O-N 3.1Å; E150-W154 PolarHBondContact O-N 3.48Å
151	Q	90.7	Very high	88.5	Confident	33 Å²	33	37.8 Å²	37.8	15%	0.154	18%	0.181	C	C	.	.	H	α-helix	trans	-58.9	-40.2	178.6	-78.8	178.5	-12.5	0	0	112.4	L31 M36 L70 V147 R148 L155	L31-Q151 PolarHBondContact O-NE2 3.39Å; L31-Q151 VanDerWaalsContact O-NE2 3.15Å; M36-Q151 HydrophobicContact CE-CB 4.49Å; M36-Q151 HydrophobicContact CE-CG 3.8Å; M36-Q151 HydrophobicContact SD-CB 4.37Å; M36-Q151 HydrophobicContact SD-CG 4.03Å; L70-Q151 HydrophobicContact CD1-CB 4.16Å; V147-Q151 WeakPolarHBondContact O-CG 3.43Å; V147-Q151 PolarHBondContact O-N 2.9Å; V147-Q151 VanDerWaalsContact O-N 3.11Å; R148-Q151 PolarHBondContact O-N 3.18Å; Q151-L155 WeakPolarHBondContact O-CD1 3.35Å; Q151-L155 VanDerWaalsContact O-CG 3.29Å; Q151-L155 WeakPolarHBondContact O-CG 3.33Å; Q151-L155 PolarHBondContact O-N 3.39Å; Q151-L155 VanDerWaalsContact O-N 3.09Å
152	L	92.7	Very high	89.5	Confident	4 Å²	4	34.8 Å²	34.8	2%	0.021	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-44.8	172.7	-78.4	166.4	0	0	0	111.9	I67 L70 R148 E149 E150 W154 L155 M156 M204 F223	I67-L152 HydrophobicContact CB-CD2 4.41Å; I67-L152 HydrophobicContact CG2-CD2 4.03Å; L70-L152 HydrophobicContact CB-CD1 4.41Å; L70-L152 HydrophobicContact CB-CD2 3.77Å; L70-L152 HydrophobicContact CB-CG 4.01Å; L70-L152 HydrophobicContact CD1-CD2 4.29Å; L70-L152 HydrophobicContact CD1-CG 4.33Å; R148-L152 WeakPolarHBondContact O-CG 3.49Å; R148-L152 PolarHBondContact O-N 3.4Å; E149-L152 PolarHBondContact O-N 3.19Å; E150-L152 VanDerWaalsContact C-N 3.3Å; E150-L152 PolarHBondContact O-N 3.12Å; L152-W154 PolarHBondContact O-N 2.99Å; L152-L155 PolarHBondContact O-N 3.47Å; L152-M156 WeakPolarHBondContact O-CB 3.38Å; L152-M156 VanDerWaalsContact O-CG 3.28Å; L152-M156 WeakPolarHBondContact O-CG 3.45Å; L152-M156 PolarHBondContact O-N 3.08Å; L152-M204 HydrophobicContact CD2-SD 4.29Å; L152-F223 HydrophobicContact CB-CD2 4.16Å; L152-F223 HydrophobicContact CB-CE2 3.85Å; L152-F223 HydrophobicContact CD1-CE2 4.17Å
153	A	94.1	Very high	90.5	Very high	13 Å²	13	33.3 Å²	33.3	11%	0.107	16%	0.162	C	C	.	.	H	α-helix	trans	-58.7	-46.5	178.5	0	0	0	0	0	112.1	E149 E150 L155 M156 N157 A226	E149-A153 WeakPolarHBondContact O-CB 3.39Å; E149-A153 PolarHBondContact O-N 3.32Å; E150-A153 WeakPolarHBondContact O-CB 3.45Å; E150-A153 PolarHBondContact O-N 3.03Å; E150-A153 VanDerWaalsContact O-N 3.1Å; A153-L155 PolarHBondContact O-N 2.92Å; A153-M156 PolarHBondContact O-N 2.91Å; A153-N157 PolarHBondContact O-N 3.45Å; A153-A226 HydrophobicContact CB-CB 3.84Å
154	W	93.7	Very high	91.2	Very high	72 Å²	72	28.6 Å²	28.6	27%	0.273	14%	0.139	S	C	.	.	H	α-helix	trans	-63.7	-39.7	176.2	-72.3	109.9	0	0	0	113.3	T33 M36 V37 E40 E150 L152 N157 A158	T33-W154 HydrophobicContact CG2-CZ2 4.26Å; M36-W154 HydrophobicContact CB-CB 3.85Å; M36-W154 HydrophobicContact CB-CD2 4.49Å; M36-W154 HydrophobicContact CB-CG 4.04Å; M36-W154 HydrophobicContact CE-CB 4.09Å; M36-W154 VanDerWaalsContact CE-CD1 3.47Å; M36-W154 HydrophobicContact CE-CG 3.93Å; M36-W154 HydrophobicContact CG-CB 4.39Å; M36-W154 HydrophobicContact SD-CB 3.81Å; M36-W154 HydrophobicContact SD-CG 4.3Å; V37-W154 HydrophobicContact CG2-CE3 4.2Å; V37-W154 HydrophobicContact CG2-CH2 3.51Å; V37-W154 HydrophobicContact CG2-CZ2 3.87Å; V37-W154 HydrophobicContact CG2-CZ3 3.69Å; E40-W154 WeakPolarHBondContact OE2-CZ3 3.37Å; E150-W154 PolarHBondContact O-N 3.48Å; L152-W154 PolarHBondContact O-N 2.99Å; W154-N157 PolarHBondContact O-N 2.86Å; W154-A158 WeakPolarHBondContact O-CB 3.41Å; W154-A158 PolarHBondContact O-N 3.23Å
155	L	94.4	Very high	91.4	Very high	2 Å²	2	25.2 Å²	25.2	1%	0.01	13%	0.126	C	C	.	.	H	α-helix	trans	-69.6	-36.3	176.9	-70.6	167	0	0	0	112.2	L31 I63 L66 I67 L70 Q151 L152 A153 A158 L159	L31-L155 HydrophobicContact CD1-CD2 4.43Å; I63-L155 HydrophobicContact CG1-CD2 4.47Å; I63-L155 HydrophobicContact CG2-CB 4.38Å; I63-L155 HydrophobicContact CG2-CD2 4.19Å; L66-L155 HydrophobicContact CB-CD1 3.85Å; L66-L155 HydrophobicContact CB-CD2 4.47Å; L66-L155 HydrophobicContact CD1-CD2 4.37Å; I67-L155 HydrophobicContact CD1-CB 4.03Å; I67-L155 HydrophobicContact CG1-CB 3.58Å; I67-L155 HydrophobicContact CG1-CD1 4.28Å; L70-L155 HydrophobicContact CD1-CD1 3.65Å; Q151-L155 WeakPolarHBondContact O-CD1 3.35Å; Q151-L155 VanDerWaalsContact O-CG 3.29Å; Q151-L155 WeakPolarHBondContact O-CG 3.33Å; Q151-L155 PolarHBondContact O-N 3.39Å; Q151-L155 VanDerWaalsContact O-N 3.09Å; L152-L155 PolarHBondContact O-N 3.47Å; A153-L155 PolarHBondContact O-N 2.92Å; L155-A158 PolarHBondContact O-N 3.1Å; L155-L159 PolarHBondContact O-N 2.96Å
156	M	95.7	Very high	91.4	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-65.7	-41.1	172.9	-70.3	-172.3	-62.1	0	0	111.5	I67 L152 A153 L159 A160 M204 F223 A226 L227 M230	I67-M156 HydrophobicContact CD1-CG 4.4Å; L152-M156 WeakPolarHBondContact O-CB 3.38Å; L152-M156 VanDerWaalsContact O-CG 3.28Å; L152-M156 WeakPolarHBondContact O-CG 3.45Å; L152-M156 PolarHBondContact O-N 3.08Å; A153-M156 PolarHBondContact O-N 2.91Å; M156-L159 PolarHBondContact O-N 3.16Å; M156-A160 WeakPolarHBondContact O-CB 3.41Å; M156-A160 PolarHBondContact O-N 3.36Å; M156-M204 HydrophobicContact CG-CE 4.19Å; M156-M204 HydrophobicContact SD-CE 3.51Å; M156-M204 VanDerWaalsContact SD-CE 3.51Å; M156-F223 HydrophobicContact CE-CD2 3.7Å; M156-F223 HydrophobicContact CE-CE2 3.52Å; M156-F223 HydrophobicContact CE-CG 4.41Å; M156-F223 HydrophobicContact CE-CZ 4.09Å; M156-A226 HydrophobicContact CB-CB 4.29Å; M156-A226 HydrophobicContact CE-CB 3.94Å; M156-L227 HydrophobicContact CE-CB 4.13Å; M156-L227 HydrophobicContact SD-CB 4.16Å; M156-L227 HydrophobicContact SD-CD1 3.7Å; M156-M230 HydrophobicContact CB-CB 4.27Å; M156-M230 HydrophobicContact CB-CE 4.47Å; M156-M230 HydrophobicContact CB-SD 3.93Å; M156-M230 HydrophobicContact CG-CE 3.88Å; M156-M230 HydrophobicContact CG-SD 3.68Å; M156-M230 HydrophobicContact SD-CE 3.62Å; M156-M230 HydrophobicContact SD-SD 4.26Å
157	N	95.3	Very high	91.5	Very high	31 Å²	31	26.2 Å²	26.2	17%	0.166	14%	0.14	C	C	.	.	H	α-helix	trans	-67	-36.6	174.1	-77.1	-9.9	0	0	0	112.6	E40 A153 W154 L159 A160 A161 A226 N229	E40-N157 HydrophobicContact CG-CB 4.49Å; E40-N157 VanDerWaalsContact OE2-CB 3.31Å; E40-N157 WeakPolarHBondContact OE2-CB 3.26Å; A153-N157 PolarHBondContact O-N 3.45Å; W154-N157 PolarHBondContact O-N 2.86Å; N157-L159 VanDerWaalsContact C-N 3.31Å; N157-L159 PolarHBondContact O-N 3.35Å; N157-A160 WeakPolarHBondContact O-CB 3.25Å; N157-A160 PolarHBondContact O-N 3.14Å; N157-A161 WeakPolarHBondContact O-CB 3.27Å; N157-A161 PolarHBondContact O-N 2.81Å; N157-A226 WeakPolarHBondContact OD1-CB 3.42Å; N157-N229 PolarHBondContact OD1-ND2 2.98Å; N157-N229 VanDerWaalsContact OD1-ND2 3.13Å
158	A	95.2	Very high	91.4	Very high	2 Å²	2	23.4 Å²	23.4	2%	0.017	13%	0.127	C	C	.	.	H	α-helix	trans	-63.8	-35.5	172.5	0	0	0	0	0	112.4	L39 I43 I63 W154 L155 F162	L39-A158 HydrophobicContact CD2-CB 4.48Å; I43-A158 HydrophobicContact CD1-CB 4.16Å; I63-A158 HydrophobicContact CD1-CB 4.2Å; W154-A158 WeakPolarHBondContact O-CB 3.41Å; W154-A158 PolarHBondContact O-N 3.23Å; L155-A158 PolarHBondContact O-N 3.1Å; A158-F162 PolarHBondContact O-N 3.1Å; A158-F162 VanDerWaalsContact O-N 3.13Å
159	L	95.6	Very high	91.6	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.143	C	C	.	.	H	α-helix	trans	-72.7	-36.3	172.4	-176.2	58.1	0	0	0	112.2	V60 I63 I64 I67 L155 M156 N157 F162 L163 L196 I201 M230	V60-L159 HydrophobicContact CG1-CD1 4.02Å; I63-L159 HydrophobicContact CG2-CB 4.32Å; I64-L159 HydrophobicContact CD1-CD1 4.05Å; I64-L159 HydrophobicContact CD1-CD2 4.25Å; I64-L159 HydrophobicContact CG1-CD1 4.22Å; I64-L159 HydrophobicContact CG1-CD2 3.9Å; I67-L159 HydrophobicContact CD1-CD2 4.3Å; L155-L159 PolarHBondContact O-N 2.96Å; M156-L159 PolarHBondContact O-N 3.16Å; N157-L159 VanDerWaalsContact C-N 3.31Å; N157-L159 PolarHBondContact O-N 3.35Å; L159-F162 WeakPolarHBondContact O-CB 3.28Å; L159-F162 PolarHBondContact O-N 3.27Å; L159-L163 HydrophobicContact CD1-CD1 4.41Å; L159-L163 HydrophobicContact CD1-CG 4.45Å; L159-L163 HydrophobicContact CG-CD1 4.25Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 2.66Å; L159-L196 HydrophobicContact CD2-CD2 4.41Å; L159-I201 HydrophobicContact CD2-CD1 3.73Å; L159-M230 HydrophobicContact CD2-CG 4.38Å; L159-M230 HydrophobicContact CD2-SD 3.91Å
160	A	95.6	Very high	91.9	Very high	0 Å²	0	25.6 Å²	25.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.5	-44	172.7	0	0	0	0	0	111.8	M156 N157 F162 L163 Y164 S165 C233	M156-A160 WeakPolarHBondContact O-CB 3.41Å; M156-A160 PolarHBondContact O-N 3.36Å; N157-A160 WeakPolarHBondContact O-CB 3.25Å; N157-A160 PolarHBondContact O-N 3.14Å; A160-F162 VanDerWaalsContact C-N 3.28Å; A160-F162 PolarHBondContact O-N 2.86Å; A160-L163 PolarHBondContact O-N 3.03Å; A160-Y164 CarbonylContact O-C 3.56Å; A160-Y164 PolarHBondContact O-N 3.01Å; A160-S165 CarbonylContact C-O 3.5Å; A160-S165 CarbonylContact O-C 3.55Å; A160-S165 PolarHBondContact O-N 2.98Å; A160-C233 HydrophobicContact CB-CB 4.3Å
161	A	94.4	Very high	91.9	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-56.3	-41	171.5	0	0	0	0	0	112.4	E40 I43 N44 K51 N157	E40-A161 HydrophobicContact CG-CB 4.36Å; I43-A161 HydrophobicContact CB-CB 4.24Å; I43-A161 HydrophobicContact CG2-CB 3.85Å; N44-A161 HydrophobicContact CB-CB 3.85Å; K51-A161 PolarHBondContact NZ-O 3.45Å; N157-A161 WeakPolarHBondContact O-CB 3.27Å; N157-A161 PolarHBondContact O-N 2.81Å
162	F	95	Very high	92.1	Very high	3 Å²	3	27.6 Å²	27.6	1%	0.013	16%	0.156	C	C	.	.	H	α-helix	trans	-63.1	-55.4	176.4	-172.9	-85.7	0	0	0	110.8	I43 K51 L54 L55 V60 A158 L159 A160 Y164 H187 I192	I43-F162 VanDerWaalsContact CG2-CA 3.44Å; I43-F162 HydrophobicContact CG2-CB 3.71Å; I43-F162 HydrophobicContact CG2-CD2 4.14Å; I43-F162 HydrophobicContact CG2-CG 4.44Å; I43-F162 VanDerWaalsContact CG2-N 3.3Å; K51-F162 HydrophobicContact CB-CE2 3.84Å; K51-F162 HydrophobicContact CB-CZ 4.1Å; K51-F162 HydrophobicContact CG-CD2 4.41Å; K51-F162 HydrophobicContact CG-CE2 4.21Å; K51-F162 PolarHBondContact NZ-O 2.94Å; K51-F162 WeakPolarHBondContact O-CE2 3.46Å; K51-F162 WeakPolarHBondContact O-CZ 3.45Å; L54-F162 HydrophobicContact CB-CE2 4.16Å; L55-F162 HydrophobicContact CB-CZ 4.13Å; V60-F162 HydrophobicContact CG1-CD1 4.46Å; V60-F162 HydrophobicContact CG2-CD1 4.07Å; V60-F162 HydrophobicContact CG2-CD2 3.41Å; V60-F162 VanDerWaalsContact CG2-CD2 3.41Å; V60-F162 HydrophobicContact CG2-CE1 4Å; V60-F162 HydrophobicContact CG2-CE2 3.29Å; V60-F162 HydrophobicContact CG2-CG 3.81Å; V60-F162 HydrophobicContact CG2-CZ 3.62Å; A158-F162 PolarHBondContact O-N 3.1Å; A158-F162 VanDerWaalsContact O-N 3.13Å; L159-F162 WeakPolarHBondContact O-CB 3.28Å; L159-F162 PolarHBondContact O-N 3.27Å; A160-F162 VanDerWaalsContact C-N 3.28Å; A160-F162 PolarHBondContact O-N 2.86Å; F162-Y164 PolarHBondContact O-N 2.98Å; F162-H187 HydrophobicContact CE1-CB 4.46Å; F162-H187 AromaticContact CE1-CD2 3.68Å; F162-H187 HydrophobicContact CZ-CB 4.03Å; F162-H187 AromaticContact CZ-CD2 3.94Å; F162-I192 HydrophobicContact CD1-CD1 4.16Å; F162-I192 HydrophobicContact CE1-CD1 3.38Å; F162-I192 HydrophobicContact CZ-CD1 4.17Å
163	L	93.8	Very high	92.1	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-67.8	-32.5	-174.5	-69.6	171.7	0	0	0	113.8	L159 A160 I192 C233 I234 H237 L240	L159-L163 HydrophobicContact CD1-CD1 4.41Å; L159-L163 HydrophobicContact CD1-CG 4.45Å; L159-L163 HydrophobicContact CG-CD1 4.25Å; L159-L163 WeakPolarHBondContact O-CG 3.49Å; L159-L163 PolarHBondContact O-N 2.66Å; A160-L163 PolarHBondContact O-N 3.03Å; L163-I192 HydrophobicContact CD2-CG2 4.22Å; L163-C233 HydrophobicContact CB-CB 3.95Å; L163-C233 HydrophobicContact CD1-CB 4.37Å; L163-I234 HydrophobicContact CD1-CG1 3.56Å; L163-H237 PolarHBondContact O-CE1 3.44Å; L163-H237 PolarHBondContact O-NE2 2.69Å; L163-L240 HydrophobicContact CD2-CD1 3.89Å
164	Y	92.8	Very high	92.1	Very high	32 Å²	32	33.4 Å²	33.4	13%	0.125	18%	0.182	C	C	.	.	T	Hydrogen-bonded Turn	trans	-157.4	-73.7	-179.5	-178.7	-114.8	0	0	0	111.3	A160 F162 F170 L180 L183 I236	A160-Y164 CarbonylContact O-C 3.56Å; A160-Y164 PolarHBondContact O-N 3.01Å; F162-Y164 PolarHBondContact O-N 2.98Å; Y164-F170 AromaticContact CD1-CE1 3.92Å; Y164-F170 HydrophobicContact CD1-CE1 3.92Å; Y164-F170 AromaticContact CD1-CZ 3.89Å; Y164-F170 HydrophobicContact CD1-CZ 3.89Å; Y164-F170 AromaticContact CE1-CE1 3.85Å; Y164-F170 HydrophobicContact CE1-CE1 3.85Å; Y164-F170 HydrophobicContact CE1-CZ 4.12Å; Y164-L180 HydrophobicContact CD2-CD1 4.29Å; Y164-L183 HydrophobicContact CD2-CD1 4.02Å; Y164-L183 HydrophobicContact CE2-CD1 3.95Å; Y164-I236 HydrophobicContact CD1-CD1 4.08Å; Y164-I236 HydrophobicContact CD2-CD1 3.88Å; Y164-I236 HydrophobicContact CE2-CD1 4.38Å; Y164-I236 HydrophobicContact CG-CD1 3.71Å
165	S	87.1	Confident	92.1	Very high	22 Å²	22	32.8 Å²	32.8	15%	0.154	19%	0.187	C	C	.	.			trans	-160.5	152.4	174.2	-179.1	0	0	0	0	110.2	N44 A160 S167	N44-S165 VanDerWaalsContact OD1-CA 3.3Å; N44-S165 WeakPolarHBondContact OD1-CA 3.46Å; N44-S165 PolarHBondContact OD1-OG 2.76Å; A160-S165 CarbonylContact C-O 3.5Å; A160-S165 CarbonylContact O-C 3.55Å; A160-S165 PolarHBondContact O-N 2.98Å; S165-S167 VanDerWaalsContact C-N 3.27Å; S165-S167 PolarHBondContact OG-N 2.93Å
166	S	81.8	Confident	92	Very high	14 Å²	14	32.9 Å²	32.9	10%	0.098	19%	0.187	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74	-17.1	171.7	54.6	0	0	0	0	113.3	E40 N44 N229	E40-S166 VanDerWaalsContact CD-CB 3.44Å; E40-S166 WeakPolarHBondContact OE1-CB 3.49Å; E40-S166 PolarHBondContact OE1-OG 2.93Å; N44-S166 PolarHBondContact OD1-N 2.81Å; S166-N229 PolarHBondContact O-ND2 2.86Å
167	S	85.1	Confident	91.9	Very high	98 Å²	98	33.3 Å²	33.3	69%	0.685	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-128.3	52.1	179.2	68.6	0	0	0	0	111.7	S165	S165-S167 VanDerWaalsContact C-N 3.27Å; S165-S167 PolarHBondContact OG-N 2.93Å
168	G	82.4	Confident	91.7	Very high	19 Å²	19	37.5 Å²	37.5	20%	0.196	21%	0.208	C	C	.	.			trans	-69.7	127.7	178.2	0	0	0	0	0	112.7	F170	G168-F170 WeakPolarHBondContact O-CD2 3.37Å; G168-F170 VanDerWaalsContact O-CE2 3.26Å; G168-F170 WeakPolarHBondContact O-CE2 3.24Å
169	D	90.7	Very high	91.5	Very high	88 Å²	88	42 Å²	42	47%	0.471	23%	0.227	S	C	.	.			trans	-80.6	118	162.7	176.5	23	0	0	0	109.7	S171 V176	D169-S171 WeakPolarHBondContact OD1-CB 3.46Å; D169-S171 PolarHBondContact OD1-N 2.78Å; D169-S171 PolarHBondContact OD1-OG 3.17Å; D169-V176 WeakPolarHBondContact O-CG2 3.36Å
170	F	93.5	Very high	91.1	Very high	11 Å²	11	42.8 Å²	42.8	5%	0.048	23%	0.231	C	C	.	.			trans	-110.3	12	-179.8	-59.2	-70.8	0	0	0	113.1	Y164 G168 H172 V176 C232 I236 L298	Y164-F170 AromaticContact CD1-CE1 3.92Å; Y164-F170 HydrophobicContact CD1-CE1 3.92Å; Y164-F170 AromaticContact CD1-CZ 3.89Å; Y164-F170 HydrophobicContact CD1-CZ 3.89Å; Y164-F170 AromaticContact CE1-CE1 3.85Å; Y164-F170 HydrophobicContact CE1-CE1 3.85Å; Y164-F170 HydrophobicContact CE1-CZ 4.12Å; G168-F170 WeakPolarHBondContact O-CD2 3.37Å; G168-F170 VanDerWaalsContact O-CE2 3.26Å; G168-F170 WeakPolarHBondContact O-CE2 3.24Å; F170-H172 VanDerWaalsContact C-N 3.27Å; F170-H172 PolarHBondContact O-N 2.83Å; F170-V176 HydrophobicContact CD1-CG1 4.24Å; F170-V176 HydrophobicContact CD1-CG2 4.05Å; F170-V176 HydrophobicContact CE1-CG1 4.35Å; F170-C232 HydrophobicContact CD1-CB 3.92Å; F170-C232 HydrophobicContact CD2-CB 3.65Å; F170-C232 HydrophobicContact CE1-CB 3.82Å; F170-C232 HydrophobicContact CE2-CB 3.54Å; F170-C232 HydrophobicContact CG-CB 3.84Å; F170-C232 HydrophobicContact CZ-CB 3.63Å; F170-I236 HydrophobicContact CE1-CD1 4.35Å; F170-L298 HydrophobicContact CB-CD2 4.07Å; F170-L298 HydrophobicContact CD1-CD1 4.27Å; F170-L298 HydrophobicContact CD1-CD2 3.53Å; F170-L298 HydrophobicContact CE1-CD2 4.23Å; F170-L298 HydrophobicContact CG-CD2 3.94Å
171	S	91.2	Very high	90.7	Very high	46 Å²	46	46 Å²	46	32%	0.322	27%	0.265	S	S	.	.	S	Bend	trans	-66	-28.8	-175.6	-52.5	0	0	0	0	113.3	D169 S294	D169-S171 WeakPolarHBondContact OD1-CB 3.46Å; D169-S171 PolarHBondContact OD1-N 2.78Å; D169-S171 PolarHBondContact OD1-OG 3.17Å; S171-S294 WeakPolarHBondContact CA-OG 3.45Å
172	H	94.2	Very high	90.4	Very high	122 Å²	122	53.4 Å²	53.4	57%	0.565	30%	0.299	S	S	*	.			trans	-125.1	93.9	-178.7	-60.6	-61.4	0	0	0	110.8	F170 E174 T175 V176	F170-H172 VanDerWaalsContact C-N 3.27Å; F170-H172 PolarHBondContact O-N 2.83Å; H172-E174 VanDerWaalsContact C-N 3.31Å; H172-E174 PolarHBondContact O-N 2.93Å; H172-T175 PolarHBondContact O-N 3.33Å; H172-T175 VanDerWaalsContact O-N 3.13Å; H172-V176 PolarHBondContact O-N 2.93Å
173	P	93.6	Very high	89.9	Confident	21 Å²	21	56.9 Å²	56.9	14%	0.136	32%	0.318	C	S	.	.	H	α-helix	trans	-55.7	-36.7	-174.1	-31.1	37.8	0	0	0	115.3	V176 F177 L298 A301	P173-V176 WeakPolarHBondContact O-CB 3.27Å; P173-V176 PolarHBondContact O-N 3.24Å; P173-V176 VanDerWaalsContact O-N 3.16Å; P173-F177 HydrophobicContact CB-CE2 4.19Å; P173-F177 WeakPolarHBondContact O-CD2 3.39Å; P173-F177 WeakPolarHBondContact O-CG 3.27Å; P173-F177 PolarHBondContact O-N 2.94Å; P173-L298 HydrophobicContact CB-CD1 4.07Å; P173-L298 HydrophobicContact CG-CD1 4.28Å; P173-A301 HydrophobicContact CB-CB 3.6Å; P173-A301 HydrophobicContact CG-CB 4.05Å
174	E	93	Very high	89.3	Confident	117 Å²	117	63.2 Å²	63.2	55%	0.547	35%	0.347	S	S	.	.	H	α-helix	trans	-64.8	-41.8	178.4	-55.7	-52.5	146.8	0	0	111.9	H172 V176 F177 E178 R305	H172-E174 VanDerWaalsContact C-N 3.31Å; H172-E174 PolarHBondContact O-N 2.93Å; E174-V176 PolarHBondContact O-N 3.01Å; E174-F177 CarbonylContact O-C 3.57Å; E174-F177 PolarHBondContact O-N 3.22Å; E174-E178 WeakPolarHBondContact O-CG 3Å; E174-E178 PolarHBondContact O-N 3.38Å; E174-R305 IonicContact OE2-NH1 2.74Å
175	T	93.1	Very high	88.8	Confident	60 Å²	60	63.8 Å²	63.8	37%	0.368	35%	0.352	S	S	.	.	H	α-helix	trans	-64.8	-28.5	174.2	-50.7	0	0	0	0	112.4	H172 K179	H172-T175 PolarHBondContact O-N 3.33Å; H172-T175 VanDerWaalsContact O-N 3.13Å; T175-K179 WeakPolarHBondContact O-CG 3.16Å; T175-K179 PolarHBondContact O-N 2.97Å; T175-K179 VanDerWaalsContact O-N 3.17Å
176	V	93.8	Very high	88.6	Confident	3 Å²	3	67.2 Å²	67.2	2%	0.018	37%	0.369	C	S	.	.	H	α-helix	trans	-69.3	-44.7	170.3	-178.4	0	0	0	0	110.2	D169 F170 H172 P173 E174 E178 K179 L180 I236 L298	D169-V176 WeakPolarHBondContact O-CG2 3.36Å; F170-V176 HydrophobicContact CD1-CG1 4.24Å; F170-V176 HydrophobicContact CD1-CG2 4.05Å; F170-V176 HydrophobicContact CE1-CG1 4.35Å; H172-V176 PolarHBondContact O-N 2.93Å; P173-V176 WeakPolarHBondContact O-CB 3.27Å; P173-V176 PolarHBondContact O-N 3.24Å; P173-V176 VanDerWaalsContact O-N 3.16Å; E174-V176 PolarHBondContact O-N 3.01Å; V176-E178 PolarHBondContact O-N 2.87Å; V176-K179 PolarHBondContact O-N 3.47Å; V176-L180 WeakPolarHBondContact O-CB 3.36Å; V176-L180 PolarHBondContact O-N 3.46Å; V176-I236 HydrophobicContact CG1-CD1 4.3Å; V176-I236 HydrophobicContact CG1-CG2 3.93Å; V176-L298 HydrophobicContact CB-CD1 4.34Å; V176-L298 HydrophobicContact CG1-CD1 4.34Å; V176-L298 HydrophobicContact CG2-CD1 4.33Å
177	F	92.9	Very high	88.7	Confident	9 Å²	9	66.7 Å²	66.7	4%	0.039	37%	0.365	C	S	.	.	H	α-helix	trans	-66.2	-34.6	176.9	-60.4	-44.4	0	0	0	113.5	P173 E174 G181 A301 R305 Y306	P173-F177 HydrophobicContact CB-CE2 4.19Å; P173-F177 WeakPolarHBondContact O-CD2 3.39Å; P173-F177 WeakPolarHBondContact O-CG 3.27Å; P173-F177 PolarHBondContact O-N 2.94Å; E174-F177 CarbonylContact O-C 3.57Å; E174-F177 PolarHBondContact O-N 3.22Å; F177-G181 PolarHBondContact O-N 3.09Å; F177-A301 HydrophobicContact CE2-CB 4.02Å; F177-A301 HydrophobicContact CZ-CB 4.11Å; F177-R305 HydrophobicContact CZ-CB 4.4Å; F177-Y306 HydrophobicContact CE1-CE2 4.16Å; F177-Y306 WeakPolarHBondContact CE1-OH 3.39Å
178	E	91.3	Very high	88.8	Confident	120 Å²	120	63.6 Å²	63.6	56%	0.561	34%	0.342	S	S	*	.	H	α-helix	trans	-62.7	-51.3	173.1	-73.9	172.9	159.2	0	0	111	E174 V176 L180 G181 Q182	E174-E178 WeakPolarHBondContact O-CG 3Å; E174-E178 PolarHBondContact O-N 3.38Å; V176-E178 PolarHBondContact O-N 2.87Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 3.14Å; E178-G181 PolarHBondContact O-N 3.01Å; E178-Q182 WeakPolarHBondContact O-CG 3.33Å; E178-Q182 PolarHBondContact O-N 3.31Å; E178-Q182 VanDerWaalsContact O-N 3.16Å
179	K	89.9	Confident	89	Confident	97 Å²	97	65.7 Å²	65.7	42%	0.422	35%	0.35	S	S	.	.	H	α-helix	trans	-60.7	-42.5	175	-73.1	173.4	-179.8	176.6	0	111.8	T175 V176 G181 Q182 L183	T175-K179 WeakPolarHBondContact O-CG 3.16Å; T175-K179 PolarHBondContact O-N 2.97Å; T175-K179 VanDerWaalsContact O-N 3.17Å; V176-K179 PolarHBondContact O-N 3.47Å; K179-G181 VanDerWaalsContact C-N 3.28Å; K179-G181 PolarHBondContact O-N 3.2Å; K179-Q182 WeakPolarHBondContact O-CB 3.4Å; K179-Q182 PolarHBondContact O-N 3.37Å; K179-Q182 VanDerWaalsContact O-N 3.07Å; K179-L183 WeakPolarHBondContact O-CG 3.17Å; K179-L183 PolarHBondContact O-N 3.25Å
180	L	89.2	Confident	88.8	Confident	16 Å²	16	67.5 Å²	67.5	8%	0.084	36%	0.36	C	S	.	.	H	α-helix	trans	-60.7	-37.5	177.2	-165.5	77.5	0	0	0	111.9	Y164 V176 E178 Q182 L183 L185 I236	Y164-L180 HydrophobicContact CD2-CD1 4.29Å; V176-L180 WeakPolarHBondContact O-CB 3.36Å; V176-L180 PolarHBondContact O-N 3.46Å; E178-L180 VanDerWaalsContact C-N 3.34Å; E178-L180 PolarHBondContact O-N 3.14Å; L180-Q182 VanDerWaalsContact C-N 3.31Å; L180-L183 PolarHBondContact O-N 3.42Å; L180-L185 HydrophobicContact CD1-CD1 3.62Å; L180-L185 HydrophobicContact CG-CD1 3.81Å; L180-I236 HydrophobicContact CD1-CD1 4.05Å; L180-I236 HydrophobicContact CD1-CG1 4.26Å; L180-I236 HydrophobicContact CD2-CB 4.37Å; L180-I236 VanDerWaalsContact CD2-O 3.25Å; L180-I236 WeakPolarHBondContact CD2-O 3.49Å
181	G	86.5	Confident	88.6	Confident	69 Å²	69	70.4 Å²	70.4	71%	0.711	37%	0.374	S	S	*	.	H	α-helix	trans	-75.6	-13.4	175.1	0	0	0	0	0	115	F177 E178 K179	F177-G181 PolarHBondContact O-N 3.09Å; E178-G181 PolarHBondContact O-N 3.01Å; K179-G181 VanDerWaalsContact C-N 3.28Å; K179-G181 PolarHBondContact O-N 3.2Å
182	Q	87.4	Confident	88.6	Confident	154 Å²	154	68.2 Å²	68.2	72%	0.72	36%	0.359	S	S	*	.	H	α-helix	trans	-92	-14.6	173.2	-68.7	166	7.6	0	0	112.7	E178 K179 L180	E178-Q182 WeakPolarHBondContact O-CG 3.33Å; E178-Q182 PolarHBondContact O-N 3.31Å; E178-Q182 VanDerWaalsContact O-N 3.16Å; K179-Q182 WeakPolarHBondContact O-CB 3.4Å; K179-Q182 PolarHBondContact O-N 3.37Å; K179-Q182 VanDerWaalsContact O-N 3.07Å; L180-Q182 VanDerWaalsContact C-N 3.31Å
183	L	84.5	Confident	88.4	Confident	77 Å²	77	63.2 Å²	63.2	40%	0.403	34%	0.338	S	S	.	.	S	Bend	trans	-91.2	129.6	-179.4	-71.4	167.2	0	0	0	111	Y164 K179 L180 L185	Y164-L183 HydrophobicContact CD2-CD1 4.02Å; Y164-L183 HydrophobicContact CE2-CD1 3.95Å; K179-L183 WeakPolarHBondContact O-CG 3.17Å; K179-L183 PolarHBondContact O-N 3.25Å; L180-L183 PolarHBondContact O-N 3.42Å; L183-L185 HydrophobicContact CB-CD2 4.06Å; L183-L185 HydrophobicContact CB-CG 4.21Å; L183-L185 PolarHBondContact O-N 2.98Å
184	E	81.2	Confident	88.3	Confident	132 Å²	132	66 Å²	66	62%	0.617	35%	0.351	S	S	*	.			trans	-73.8	88.5	170.5	-69.5	-166.5	-172.4	0	0	110.4	S48 N186	S48-E184 WeakPolarHBondContact CB-O 3.31Å; S48-E184 PolarHBondContact OG-O 3.02Å; E184-N186 PolarHBondContact O-N 2.78Å; E184-N186 PolarHBondContact OE2-ND2 2.74Å; E184-N186 VanDerWaalsContact OE2-ND2 3.13Å
185	L	82.7	Confident	88.3	Confident	45 Å²	45	60.8 Å²	60.8	24%	0.236	33%	0.327	C	S	.	.			trans	-76.2	33.5	-174.1	-63.7	169.1	0	0	0	114.4	L180 L183 H187 V188	L180-L185 HydrophobicContact CD1-CD1 3.62Å; L180-L185 HydrophobicContact CG-CD1 3.81Å; L183-L185 HydrophobicContact CB-CD2 4.06Å; L183-L185 HydrophobicContact CB-CG 4.21Å; L183-L185 PolarHBondContact O-N 2.98Å; L185-H187 PolarHBondContact O-N 3.36Å; L185-V188 HydrophobicContact CB-CG2 4.25Å; L185-V188 HydrophobicContact CD2-CG2 4.24Å; L185-V188 PolarHBondContact O-N 3.49Å
186	N	82.2	Confident	88.3	Confident	93 Å²	93	58 Å²	58	50%	0.497	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.7	-13.5	-177.8	-59.7	-24.8	0	0	0	114.1	E184	E184-N186 PolarHBondContact O-N 2.78Å; E184-N186 PolarHBondContact OE2-ND2 2.74Å; E184-N186 VanDerWaalsContact OE2-ND2 3.13Å
187	H	85.3	Confident	88.1	Confident	3 Å²	3	63.7 Å²	63.7	1%	0.014	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-13.4	175.5	56.7	-89.4	0	0	0	113.8	K51 L52 F162 L185 V189 I192	K51-H187 HydrophobicContact CB-CB 3.74Å; L52-H187 HydrophobicContact CB-CB 4.2Å; F162-H187 HydrophobicContact CE1-CB 4.46Å; F162-H187 AromaticContact CE1-CD2 3.68Å; F162-H187 HydrophobicContact CZ-CB 4.03Å; F162-H187 AromaticContact CZ-CD2 3.94Å; L185-H187 PolarHBondContact O-N 3.36Å; H187-V189 VanDerWaalsContact C-N 3.33Å; H187-V189 PolarHBondContact O-N 3.11Å; H187-I192 VanDerWaalsContact O-CD1 3.27Å; H187-I192 WeakPolarHBondContact O-CD1 3.06Å
188	V	86.5	Confident	88	Confident	33 Å²	33	70.6 Å²	70.6	20%	0.2	37%	0.369	C	S	.	.			trans	-93.6	64.9	-179.5	-166.7	0	0	0	0	110.3	L185 H237 L240	L185-V188 HydrophobicContact CB-CG2 4.25Å; L185-V188 HydrophobicContact CD2-CG2 4.24Å; L185-V188 PolarHBondContact O-N 3.49Å; V188-H237 HydrophobicContact CG1-CB 4.37Å; V188-L240 HydrophobicContact CG1-CD1 3.96Å; V188-L240 HydrophobicContact CG1-CG 4.47Å
189	V	87	Confident	88	Confident	63 Å²	63	65.7 Å²	65.7	38%	0.382	35%	0.347	S	S	.	.			trans	-91.7	166.9	-179.8	-63.9	0	0	0	0	112.5	L55 H187 E191 I192	L55-V189 HydrophobicContact CD2-CG2 3.65Å; H187-V189 VanDerWaalsContact C-N 3.33Å; H187-V189 PolarHBondContact O-N 3.11Å; V189-E191 HydrophobicContact CG2-CB 4.18Å; V189-E191 PolarHBondContact O-N 3.24Å; V189-I192 WeakPolarHBondContact O-CB 3.45Å; V189-I192 PolarHBondContact O-N 3.09Å
190	D	85.6	Confident	88.1	Confident	126 Å²	126	62.3 Å²	62.3	67%	0.674	34%	0.335	S	S	*	.	H	α-helix	trans	-55.1	-24.5	-178.8	-66.2	-44.2	0	0	0	114.3	I192 S193 N194	D190-I192 PolarHBondContact O-N 2.98Å; D190-S193 WeakPolarHBondContact O-CB 3.05Å; D190-S193 PolarHBondContact O-N 2.67Å; D190-S193 VanDerWaalsContact O-N 3.14Å; D190-N194 PolarHBondContact O-N 2.9Å; D190-N194 PolarHBondContact O-ND2 3.32Å
191	E	89.5	Confident	88.3	Confident	72 Å²	72	61.5 Å²	61.5	34%	0.336	33%	0.331	S	S	.	.	H	α-helix	trans	-56.9	-36.8	172.8	-164.9	-173.9	163.8	0	0	111.7	R61 V189 N194 I195	R61-E191 IonicContact CZ-OE1 2.78Å; R61-E191 IonicContact NE-OE1 3.63Å; R61-E191 IonicContact NH2-OE1 2.68Å; R61-E191 PolarHBondContact NH2-OE1 3.46Å; V189-E191 HydrophobicContact CG2-CB 4.18Å; V189-E191 PolarHBondContact O-N 3.24Å; E191-N194 PolarHBondContact O-N 3.5Å; E191-I195 HydrophobicContact CG-CD1 3.88Å; E191-I195 HydrophobicContact CG-CG1 4.26Å; E191-I195 VanDerWaalsContact O-CG1 3.27Å; E191-I195 WeakPolarHBondContact O-CG1 3.36Å; E191-I195 PolarHBondContact O-N 2.91Å
192	I	91.4	Very high	88.5	Confident	1 Å²	1	59.3 Å²	59.3	1%	0.005	30%	0.302	C	S	.	.	H	α-helix	trans	-67.7	-39.5	178.1	-60.8	-168.2	0	0	0	111.1	L55 F162 L163 H187 V189 D190 N194 I195 L196 L240	L55-I192 HydrophobicContact CD1-CD1 4.24Å; L55-I192 HydrophobicContact CD1-CG1 3.91Å; L55-I192 HydrophobicContact CD2-CD1 4.17Å; L55-I192 HydrophobicContact CD2-CG1 4.03Å; F162-I192 HydrophobicContact CD1-CD1 4.16Å; F162-I192 HydrophobicContact CE1-CD1 3.38Å; F162-I192 HydrophobicContact CZ-CD1 4.17Å; L163-I192 HydrophobicContact CD2-CG2 4.22Å; H187-I192 VanDerWaalsContact O-CD1 3.27Å; H187-I192 WeakPolarHBondContact O-CD1 3.06Å; V189-I192 WeakPolarHBondContact O-CB 3.45Å; V189-I192 PolarHBondContact O-N 3.09Å; D190-I192 PolarHBondContact O-N 2.98Å; I192-N194 VanDerWaalsContact C-N 3.31Å; I192-N194 PolarHBondContact O-N 3.32Å; I192-I195 PolarHBondContact O-N 3.47Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 HydrophobicContact CG2-CG 4.32Å; I192-L196 WeakPolarHBondContact O-CB 3.24Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.27Å; I192-L196 PolarHBondContact O-N 2.87Å; I192-L240 HydrophobicContact CG2-CD1 4.25Å
193	S	90.1	Very high	88.7	Confident	17 Å²	17	54.7 Å²	54.7	12%	0.119	29%	0.287	C	S	.	.	H	α-helix	trans	-60.3	-44.3	172.9	-165.2	0	0	0	0	110.7	D190 L196 Q197	D190-S193 WeakPolarHBondContact O-CB 3.05Å; D190-S193 PolarHBondContact O-N 2.67Å; D190-S193 VanDerWaalsContact O-N 3.14Å; S193-L196 PolarHBondContact O-N 3.41Å; S193-Q197 WeakPolarHBondContact O-CB 3.49Å; S193-Q197 WeakPolarHBondContact O-CG 3.36Å; S193-Q197 PolarHBondContact O-N 3.4Å; S193-Q197 PolarHBondContact O-NE2 3.18Å; S193-Q197 PolarHBondContact OG-NE2 2.89Å
194	N	91.5	Very high	89.1	Confident	78 Å²	78	51 Å²	51	42%	0.417	27%	0.268	S	S	.	.	H	α-helix	trans	-64.4	-43	176.9	-71.4	-60.7	0	0	0	113.2	D190 E191 I192 Q197 Q198	D190-N194 PolarHBondContact O-N 2.9Å; D190-N194 PolarHBondContact O-ND2 3.32Å; E191-N194 PolarHBondContact O-N 3.5Å; I192-N194 VanDerWaalsContact C-N 3.31Å; I192-N194 PolarHBondContact O-N 3.32Å; N194-Q197 PolarHBondContact O-N 2.8Å; N194-Q198 VanDerWaalsContact O-CG 3.31Å; N194-Q198 WeakPolarHBondContact O-CG 3.29Å; N194-Q198 PolarHBondContact O-N 2.77Å
195	I	92.7	Very high	89.6	Confident	9 Å²	9	44.9 Å²	44.9	5%	0.046	24%	0.239	C	C	.	.	H	α-helix	trans	-65.2	-42.4	176.8	-65.9	163.4	0	0	0	110.5	L55 R61 I64 E191 I192 Q198 S199	L55-I195 HydrophobicContact CD1-CD1 4.31Å; R61-I195 HydrophobicContact CB-CD1 4.17Å; R61-I195 HydrophobicContact CG-CD1 4.47Å; I64-I195 HydrophobicContact CB-CG2 4.12Å; I64-I195 HydrophobicContact CD1-CG2 3.59Å; I64-I195 HydrophobicContact CG1-CG2 4.45Å; I64-I195 HydrophobicContact CG2-CG2 3.95Å; E191-I195 HydrophobicContact CG-CD1 3.88Å; E191-I195 HydrophobicContact CG-CG1 4.26Å; E191-I195 VanDerWaalsContact O-CG1 3.27Å; E191-I195 WeakPolarHBondContact O-CG1 3.36Å; E191-I195 PolarHBondContact O-N 2.91Å; I192-I195 PolarHBondContact O-N 3.47Å; I195-Q198 PolarHBondContact O-N 3.44Å; I195-S199 WeakPolarHBondContact O-CB 3.28Å; I195-S199 PolarHBondContact O-N 3.22Å
196	L	92.8	Very high	90	Very high	1 Å²	1	43.8 Å²	43.8	1%	0.005	23%	0.234	C	C	.	.	H	α-helix	trans	-64.1	-44	176.2	-73	173.7	0	0	0	111.5	I64 L159 I192 S193 Q198 S199 I201 L240 Y243	I64-L196 HydrophobicContact CD1-CD2 3.95Å; I64-L196 HydrophobicContact CD1-CG 4.47Å; L159-L196 HydrophobicContact CD2-CD2 4.41Å; I192-L196 HydrophobicContact CG2-CD1 3.98Å; I192-L196 HydrophobicContact CG2-CG 4.32Å; I192-L196 WeakPolarHBondContact O-CB 3.24Å; I192-L196 VanDerWaalsContact O-CG 3.29Å; I192-L196 WeakPolarHBondContact O-CG 3.27Å; I192-L196 PolarHBondContact O-N 2.87Å; S193-L196 PolarHBondContact O-N 3.41Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.95Å; L196-S199 WeakPolarHBondContact O-CB 3.27Å; L196-S199 PolarHBondContact O-N 2.88Å; L196-S199 PolarHBondContact O-OG 2.8Å; L196-I201 HydrophobicContact CD2-CD1 3.89Å; L196-L240 HydrophobicContact CD1-CD1 4.25Å; L196-L240 HydrophobicContact CD1-CD2 4.31Å; L196-Y243 HydrophobicContact CB-CD1 4.33Å; L196-Y243 HydrophobicContact CB-CE1 4Å; L196-Y243 HydrophobicContact CB-CE2 4.24Å; L196-Y243 HydrophobicContact CD2-CE1 4.48Å; L196-Y243 WeakPolarHBondContact O-CE2 3.29Å; L196-Y243 VanDerWaalsContact O-CZ 3.24Å; L196-Y243 PolarHBondContact O-OH 3.2Å
197	Q	89.5	Confident	90.4	Very high	122 Å²	122	43.8 Å²	43.8	57%	0.57	23%	0.228	S	C	*	.	H	α-helix	trans	-59.8	-33	175.5	-75	173.5	54.2	0	0	113.3	S193 N194 S199 Y243	S193-Q197 WeakPolarHBondContact O-CB 3.49Å; S193-Q197 WeakPolarHBondContact O-CG 3.36Å; S193-Q197 PolarHBondContact O-N 3.4Å; S193-Q197 PolarHBondContact O-NE2 3.18Å; S193-Q197 PolarHBondContact OG-NE2 2.89Å; N194-Q197 PolarHBondContact O-N 2.8Å; Q197-S199 VanDerWaalsContact C-N 3.34Å; Q197-Y243 HydrophobicContact CG-CD2 4.18Å; Q197-Y243 HydrophobicContact CG-CE2 4.45Å
198	Q	90.5	Very high	90.7	Very high	155 Å²	155	44 Å²	44	72%	0.724	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-6.2	175.7	-68	172.4	10.7	0	0	113.7	N194 I195 L196	N194-Q198 VanDerWaalsContact O-CG 3.31Å; N194-Q198 WeakPolarHBondContact O-CG 3.29Å; N194-Q198 PolarHBondContact O-N 2.77Å; I195-Q198 PolarHBondContact O-N 3.44Å; L196-Q198 VanDerWaalsContact C-N 3.26Å; L196-Q198 PolarHBondContact O-N 2.95Å
199	S	92.6	Very high	91	Very high	16 Å²	16	42.4 Å²	42.4	11%	0.112	22%	0.219	C	C	.	.	S	Bend	trans	-96.5	163	-177.3	81	0	0	0	0	113.5	I195 L196 Q197 I201 Y243	I195-S199 WeakPolarHBondContact O-CB 3.28Å; I195-S199 PolarHBondContact O-N 3.22Å; L196-S199 WeakPolarHBondContact O-CB 3.27Å; L196-S199 PolarHBondContact O-N 2.88Å; L196-S199 PolarHBondContact O-OG 2.8Å; Q197-S199 VanDerWaalsContact C-N 3.34Å; S199-I201 PolarHBondContact O-N 3.33Å; S199-I201 WeakPolarHBondContact OG-CB 3.46Å; S199-I201 PolarHBondContact OG-N 3.05Å; S199-Y243 PolarHBondContact OG-OH 2.88Å
200	T	91.6	Very high	91.1	Very high	26 Å²	26	44 Å²	44	16%	0.16	22%	0.221	C	C	.	.	S	Bend	trans	-88.1	19.4	173.1	69.4	0	0	0	0	113.3	S68 S203 M204	S68-T200 WeakPolarHBondContact CA-OG1 3.41Å; S68-T200 PolarHBondContact OG-N 3.42Å; T200-S203 WeakPolarHBondContact CA-OG 3.48Å; T200-S203 WeakPolarHBondContact CB-OG 3.44Å; T200-S203 PolarHBondContact O-OG 3.42Å; T200-M204 VanDerWaalsContact O-CB 3.26Å; T200-M204 WeakPolarHBondContact O-CB 3.36Å; T200-M204 PolarHBondContact O-N 3.02Å
201	I	93.6	Very high	91.2	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-68.6	-43.5	-177.8	-70.2	175.6	0	0	0	111	I64 I67 L159 L196 S199 M204 I205 M230 Y243	I64-I201 HydrophobicContact CB-CD1 4.4Å; I64-I201 HydrophobicContact CG1-CD1 3.99Å; I64-I201 HydrophobicContact CG2-CD1 3.91Å; I67-I201 HydrophobicContact CD1-CD1 4.24Å; I67-I201 HydrophobicContact CG2-CD1 4.38Å; I67-I201 HydrophobicContact CG2-CG1 3.94Å; L159-I201 HydrophobicContact CD2-CD1 3.73Å; L196-I201 HydrophobicContact CD2-CD1 3.89Å; S199-I201 PolarHBondContact O-N 3.33Å; S199-I201 WeakPolarHBondContact OG-CB 3.46Å; S199-I201 PolarHBondContact OG-N 3.05Å; I201-M204 WeakPolarHBondContact O-CB 3.4Å; I201-M204 PolarHBondContact O-N 2.77Å; I201-I205 HydrophobicContact CG2-CD1 3.71Å; I201-I205 HydrophobicContact CG2-CG1 4.4Å; I201-I205 WeakPolarHBondContact O-CD1 3.32Å; I201-I205 VanDerWaalsContact O-CG1 3.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.25Å; I201-I205 PolarHBondContact O-N 3.3Å; I201-M230 HydrophobicContact CG2-CE 3.81Å; I201-M230 HydrophobicContact CG2-SD 4.18Å; I201-Y243 HydrophobicContact CG2-CE1 4.47Å
202	H	91.1	Very high	90.7	Very high	23 Å²	23	37.7 Å²	37.7	11%	0.106	19%	0.188	C	C	.	.	H	α-helix	trans	-58.9	-49.7	173.9	-176.8	-84.1	0	0	0	112	M204 I205 T206 Y243 R246	H202-M204 VanDerWaalsContact C-N 3.29Å; H202-M204 PolarHBondContact O-N 3.35Å; H202-I205 PolarHBondContact O-N 3.19Å; H202-T206 PolarHBondContact CE1-OG1 2.75Å; H202-T206 VanDerWaalsContact CE1-OG1 3.26Å; H202-T206 PolarHBondContact ND1-OG1 3.2Å; H202-T206 WeakPolarHBondContact O-CB 3.38Å; H202-T206 PolarHBondContact O-N 3.47Å; H202-T206 PolarHBondContact O-OG1 3.2Å; H202-Y243 HydrophobicContact CB-CE1 4.16Å; H202-Y243 HydrophobicContact CB-CE2 3.96Å; H202-Y243 WeakPolarHBondContact CB-OH 3.36Å; H202-Y243 PolarHBondContact CD2-O 2.88Å; H202-Y243 PolarHBondContact N-OH 3.47Å; H202-R246 VanDerWaalsContact CE1-CZ 3.49Å; H202-R246 PolarHBondContact CE1-NE 2.88Å; H202-R246 PolarHBondContact CE1-NH2 2.93Å; H202-R246 VanDerWaalsContact CE1-NH2 3.25Å; H202-R246 PolarHBondContact NE2-NE 3.41Å; H202-R246 PolarHBondContact NE2-NH2 3.02Å
203	S	89.8	Confident	90.3	Very high	57 Å²	57	38.8 Å²	38.8	40%	0.399	20%	0.196	S	C	.	.	H	α-helix	trans	-63.4	-34.9	179	45	0	0	0	0	112.2	T200 Y207	T200-S203 WeakPolarHBondContact CA-OG 3.48Å; T200-S203 WeakPolarHBondContact CB-OG 3.44Å; T200-S203 PolarHBondContact O-OG 3.42Å; S203-Y207 WeakPolarHBondContact O-CB 3.49Å; S203-Y207 PolarHBondContact O-N 3.17Å
204	M	92.8	Very high	90.2	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-62.1	-52.1	170.6	-177	176	72.2	0	0	111.6	I67 H71 L152 M156 T200 I201 H202 T206 Y207 H208 L227 M230	I67-M204 HydrophobicContact CG2-CE 3.63Å; I67-M204 HydrophobicContact CG2-SD 4Å; H71-M204 HydrophobicContact CB-SD 4.16Å; H71-M204 WeakPolarHBondContact ND1-CG 3.33Å; L152-M204 HydrophobicContact CD2-SD 4.29Å; M156-M204 HydrophobicContact CG-CE 4.19Å; M156-M204 HydrophobicContact SD-CE 3.51Å; M156-M204 VanDerWaalsContact SD-CE 3.51Å; T200-M204 VanDerWaalsContact O-CB 3.26Å; T200-M204 WeakPolarHBondContact O-CB 3.36Å; T200-M204 PolarHBondContact O-N 3.02Å; I201-M204 WeakPolarHBondContact O-CB 3.4Å; I201-M204 PolarHBondContact O-N 2.77Å; H202-M204 VanDerWaalsContact C-N 3.29Å; H202-M204 PolarHBondContact O-N 3.35Å; M204-T206 PolarHBondContact O-N 2.92Å; M204-Y207 PolarHBondContact O-N 3.11Å; M204-Y207 VanDerWaalsContact O-N 3.17Å; M204-H208 PolarHBondContact O-CD2 2.9Å; M204-H208 PolarHBondContact O-N 3.4Å; M204-L227 HydrophobicContact CE-CD1 4.15Å; M204-M230 HydrophobicContact CE-CE 4.02Å
205	I	93.5	Very high	89.7	Confident	2 Å²	2	36.2 Å²	36.2	1%	0.01	18%	0.178	C	C	.	.	H	α-helix	trans	-56.7	-48.8	176.9	-65.7	158.4	0	0	0	110.6	I201 H202 Y207 H208 L209 L227 M230 V231 V244	I201-I205 HydrophobicContact CG2-CD1 3.71Å; I201-I205 HydrophobicContact CG2-CG1 4.4Å; I201-I205 WeakPolarHBondContact O-CD1 3.32Å; I201-I205 VanDerWaalsContact O-CG1 3.27Å; I201-I205 WeakPolarHBondContact O-CG1 3.25Å; I201-I205 PolarHBondContact O-N 3.3Å; H202-I205 PolarHBondContact O-N 3.19Å; I205-Y207 PolarHBondContact O-N 3.1Å; I205-H208 PolarHBondContact O-N 2.64Å; I205-L209 HydrophobicContact CG2-CD1 3.83Å; I205-L209 WeakPolarHBondContact O-CB 3.49Å; I205-L209 WeakPolarHBondContact O-CG 3.24Å; I205-L209 PolarHBondContact O-N 2.89Å; I205-L227 HydrophobicContact CG1-CD1 3.88Å; I205-M230 HydrophobicContact CD1-CE 4.23Å; I205-M230 HydrophobicContact CG1-CE 4.25Å; I205-V231 HydrophobicContact CD1-CG2 3.7Å; I205-V231 HydrophobicContact CG1-CG2 3.89Å; I205-V231 HydrophobicContact CG2-CG2 3.9Å; I205-V244 HydrophobicContact CG2-CG1 4.46Å
206	T	91.5	Very high	89.2	Confident	22 Å²	22	38 Å²	38	14%	0.135	19%	0.188	C	C	.	.	H	α-helix	trans	-59.5	-43.8	176.7	-55.4	0	0	0	0	111.7	H202 M204 K210 L259	H202-T206 PolarHBondContact CE1-OG1 2.75Å; H202-T206 VanDerWaalsContact CE1-OG1 3.26Å; H202-T206 PolarHBondContact ND1-OG1 3.2Å; H202-T206 WeakPolarHBondContact O-CB 3.38Å; H202-T206 PolarHBondContact O-N 3.47Å; H202-T206 PolarHBondContact O-OG1 3.2Å; M204-T206 PolarHBondContact O-N 2.92Å; T206-K210 HydrophobicContact CG2-CD 3.93Å; T206-K210 HydrophobicContact CG2-CG 4.44Å; T206-K210 VanDerWaalsContact O-CB 3.25Å; T206-K210 WeakPolarHBondContact O-CB 3.34Å; T206-K210 VanDerWaalsContact O-CG 3.23Å; T206-K210 WeakPolarHBondContact O-CG 3.34Å; T206-K210 PolarHBondContact O-N 2.98Å; T206-L259 HydrophobicContact CG2-CD1 4.09Å
207	Y	90.5	Very high	89	Confident	94 Å²	94	38 Å²	38	37%	0.369	19%	0.188	S	C	.	.	H	α-helix	trans	-62.5	-53.8	179.4	-175.5	-79.8	0	0	0	111.6	W74 K78 S203 M204 I205 L209 K210 N211	W74-Y207 AromaticContact CH2-CD1 3.88Å; W74-Y207 HydrophobicContact CH2-CD1 3.88Å; W74-Y207 AromaticContact CH2-CE1 3.36Å; W74-Y207 HydrophobicContact CH2-CE1 3.36Å; W74-Y207 HydrophobicContact CZ2-CE1 4.36Å; W74-Y207 AromaticContact CZ3-CD1 3.74Å; W74-Y207 HydrophobicContact CZ3-CD1 3.74Å; W74-Y207 AromaticContact CZ3-CE1 3.59Å; W74-Y207 HydrophobicContact CZ3-CE1 3.59Å; K78-Y207 VanDerWaalsContact CD-OH 3.22Å; K78-Y207 WeakPolarHBondContact CD-OH 3.48Å; K78-Y207 PolarHBondContact NZ-OH 3.45Å; S203-Y207 WeakPolarHBondContact O-CB 3.49Å; S203-Y207 PolarHBondContact O-N 3.17Å; M204-Y207 PolarHBondContact O-N 3.11Å; M204-Y207 VanDerWaalsContact O-N 3.17Å; I205-Y207 PolarHBondContact O-N 3.1Å; Y207-L209 PolarHBondContact O-N 2.93Å; Y207-K210 PolarHBondContact O-N 3.38Å; Y207-N211 PolarHBondContact O-N 2.91Å
208	H	91.7	Very high	89	Confident	6 Å²	6	32.4 Å²	32.4	3%	0.028	16%	0.163	C	C	.	.	H	α-helix	trans	-70.4	-32.3	-173.1	-74.6	-81.7	0	0	0	112.8	W74 M204 I205 N211 F223 Y224 L227	W74-H208 AromaticContact CH2-CE1 3.32Å; W74-H208 WeakPolarHBondContact CH2-CE1 3.26Å; W74-H208 AromaticContact CH2-NE2 3.82Å; W74-H208 AromaticContact CZ3-CE1 3.4Å; W74-H208 VanDerWaalsContact CZ3-CE1 3.4Å; W74-H208 WeakPolarHBondContact CZ3-CE1 3.45Å; W74-H208 AromaticContact CZ3-NE2 3.38Å; W74-H208 WeakPolarHBondContact CZ3-NE2 3.2Å; M204-H208 PolarHBondContact O-CD2 2.9Å; M204-H208 PolarHBondContact O-N 3.4Å; I205-H208 PolarHBondContact O-N 2.64Å; H208-N211 WeakPolarHBondContact O-CB 3.29Å; H208-N211 PolarHBondContact O-N 3.28Å; H208-F223 HydrophobicContact CB-CE1 4.38Å; H208-F223 AromaticContact CD2-CZ 3.8Å; H208-F223 AromaticContact CE1-CE1 3.55Å; H208-F223 AromaticContact CE1-CZ 3.48Å; H208-F223 VanDerWaalsContact CE1-CZ 3.48Å; H208-F223 WeakPolarHBondContact CE1-CZ 3.43Å; H208-F223 AromaticContact CG-CE1 3.73Å; H208-F223 AromaticContact CG-CZ 3.97Å; H208-F223 AromaticContact ND1-CE1 3.41Å; H208-F223 WeakPolarHBondContact ND1-CE1 3.3Å; H208-F223 AromaticContact ND1-CZ 3.78Å; H208-F223 AromaticContact NE2-CE1 3.98Å; H208-F223 AromaticContact NE2-CZ 3.52Å; H208-Y224 HydrophobicContact CB-CE1 3.9Å; H208-Y224 VanDerWaalsContact O-CE1 3.31Å; H208-Y224 WeakPolarHBondContact O-CE1 3.27Å; H208-Y224 PolarHBondContact O-OH 3.3Å; H208-L227 HydrophobicContact CB-CD2 3.68Å
209	L	92.6	Very high	88.7	Confident	1 Å²	1	30 Å²	30	1%	0.005	15%	0.151	C	C	.	.	H	α-helix	trans	-86.4	-14.1	176.3	-60	178.5	0	0	0	113.5	I205 Y207 N211 Y224 L227 L228 L255 L259 L260 F263	I205-L209 HydrophobicContact CG2-CD1 3.83Å; I205-L209 WeakPolarHBondContact O-CB 3.49Å; I205-L209 WeakPolarHBondContact O-CG 3.24Å; I205-L209 PolarHBondContact O-N 2.89Å; Y207-L209 PolarHBondContact O-N 2.93Å; L209-N211 VanDerWaalsContact C-N 3.28Å; L209-Y224 HydrophobicContact CD2-CD1 4.44Å; L209-Y224 HydrophobicContact CD2-CE1 4.41Å; L209-L227 HydrophobicContact CD2-CD2 4.21Å; L209-L227 HydrophobicContact CG-CD2 4.2Å; L209-L228 HydrophobicContact CD1-CD2 4.31Å; L209-L228 HydrophobicContact CD2-CD2 4.21Å; L209-L255 HydrophobicContact CD1-CD1 3.35Å; L209-L259 HydrophobicContact CB-CB 4.35Å; L209-L260 HydrophobicContact CD1-CD1 4.45Å; L209-L260 HydrophobicContact CD2-CD1 4.44Å; L209-F263 HydrophobicContact CD2-CD1 3.99Å; L209-F263 HydrophobicContact CD2-CD2 3.85Å; L209-F263 HydrophobicContact CD2-CE1 3.99Å; L209-F263 HydrophobicContact CD2-CE2 3.85Å; L209-F263 HydrophobicContact CD2-CG 3.92Å; L209-F263 HydrophobicContact CD2-CZ 3.93Å
210	K	88.9	Confident	88.6	Confident	96 Å²	96	32.6 Å²	32.6	42%	0.417	16%	0.158	S	C	.	.	H	α-helix	trans	-75.7	-14.1	160.9	-76.3	-176.3	-179	-175.3	0	112.6	T206 Y207 Q212 E252 L259	T206-K210 HydrophobicContact CG2-CD 3.93Å; T206-K210 HydrophobicContact CG2-CG 4.44Å; T206-K210 VanDerWaalsContact O-CB 3.25Å; T206-K210 WeakPolarHBondContact O-CB 3.34Å; T206-K210 VanDerWaalsContact O-CG 3.23Å; T206-K210 WeakPolarHBondContact O-CG 3.34Å; T206-K210 PolarHBondContact O-N 2.98Å; Y207-K210 PolarHBondContact O-N 3.38Å; K210-Q212 WeakPolarHBondContact O-CG 3.49Å; K210-Q212 PolarHBondContact O-N 3.39Å; K210-Q212 PolarHBondContact O-NE2 2.96Å; K210-Q212 VanDerWaalsContact O-NE2 3.13Å; K210-E252 WeakPolarHBondContact CE-O 3.17Å; K210-E252 PolarHBondContact NZ-O 3.17Å; K210-L259 HydrophobicContact CD-CD2 4.3Å; K210-L259 VanDerWaalsContact CE-CD2 3.45Å; K210-L259 HydrophobicContact CG-CD2 3.77Å
211	N	86.4	Confident	88.6	Confident	35 Å²	35	31.5 Å²	31.5	19%	0.187	15%	0.152	C	C	.	.			trans	-57.4	128.7	176.1	-170.9	8.2	0	0	0	111.3	Y207 H208 L209 S213 Y224	Y207-N211 PolarHBondContact O-N 2.91Å; H208-N211 WeakPolarHBondContact O-CB 3.29Å; H208-N211 PolarHBondContact O-N 3.28Å; L209-N211 VanDerWaalsContact C-N 3.28Å; N211-S213 PolarHBondContact OD1-N 2.94Å; N211-Y224 WeakPolarHBondContact CB-OH 3.43Å; N211-Y224 PolarHBondContact ND2-OH 3.37Å
212	Q	79.9	Confident	88.6	Confident	30 Å²	30	35.7 Å²	35.7	14%	0.14	17%	0.174	C	C	.	.			trans	-113.6	6.6	-179.8	-61.3	-55.6	-66.7	0	0	113.1	K210 I214 N422 N423	K210-Q212 WeakPolarHBondContact O-CG 3.49Å; K210-Q212 PolarHBondContact O-N 3.39Å; K210-Q212 PolarHBondContact O-NE2 2.96Å; K210-Q212 VanDerWaalsContact O-NE2 3.13Å; Q212-I214 PolarHBondContact O-N 2.89Å; Q212-N422 HydrophobicContact CG-CB 4.44Å; Q212-N422 PolarHBondContact OE1-ND2 3.42Å; Q212-N423 WeakPolarHBondContact CB-ND2 3.42Å; Q212-N423 WeakPolarHBondContact CB-OD1 3.07Å; Q212-N423 WeakPolarHBondContact CG-OD1 3.41Å; Q212-N423 PolarHBondContact O-ND2 3.18Å
213	S	83.2	Confident	88.7	Confident	24 Å²	24	35 Å²	35	17%	0.168	17%	0.171	C	C	.	.			trans	-85	104.9	171	178.5	0	0	0	0	109.6	N211 Y215 D216 I217	N211-S213 PolarHBondContact OD1-N 2.94Å; S213-Y215 PolarHBondContact O-N 2.79Å; S213-D216 VanDerWaalsContact CB-OD1 3.25Å; S213-D216 WeakPolarHBondContact CB-OD1 3.48Å; S213-D216 PolarHBondContact O-N 3.15Å; S213-D216 VanDerWaalsContact OG-CG 3.28Å; S213-D216 PolarHBondContact OG-N 3.39Å; S213-D216 PolarHBondContact OG-OD1 3.19Å; S213-I217 WeakPolarHBondContact O-CD1 3.49Å; S213-I217 WeakPolarHBondContact O-CG1 3.48Å; S213-I217 PolarHBondContact O-N 3.11Å; S213-I217 VanDerWaalsContact O-N 3.17Å
214	I	87.7	Confident	89	Confident	0 Å²	0	32.4 Å²	32.4	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-68.3	-21.1	174.7	-164.6	58.8	0	0	0	111.3	Q212 I217 S218 L266 I267 Y270 L285 R415 A418 S419	Q212-I214 PolarHBondContact O-N 2.89Å; I214-I217 HydrophobicContact CD1-CB 4.25Å; I214-I217 HydrophobicContact CD1-CD1 4.32Å; I214-I217 HydrophobicContact CD1-CG2 4.3Å; I214-S218 WeakPolarHBondContact O-CB 3.37Å; I214-S218 PolarHBondContact O-N 3.46Å; I214-S218 PolarHBondContact O-OG 3.3Å; I214-L266 HydrophobicContact CB-CD1 4.43Å; I214-L266 HydrophobicContact CB-CD2 4.2Å; I214-L266 HydrophobicContact CB-CG 4.1Å; I214-L266 HydrophobicContact CD1-CD2 4.39Å; I214-L266 HydrophobicContact CD1-CG 4.34Å; I214-I267 HydrophobicContact CD1-CB 4.38Å; I214-I267 HydrophobicContact CD1-CG1 3.68Å; I214-Y270 HydrophobicContact CG1-CD1 4.25Å; I214-Y270 HydrophobicContact CG1-CG 3.99Å; I214-Y270 HydrophobicContact CG2-CD2 4.16Å; I214-Y270 HydrophobicContact CG2-CG 4.31Å; I214-L285 HydrophobicContact CD1-CD1 4.41Å; I214-L285 HydrophobicContact CD1-CD2 4.19Å; I214-L285 HydrophobicContact CG1-CD2 4.36Å; I214-R415 HydrophobicContact CG2-CB 3.95Å; I214-R415 HydrophobicContact CG2-CG 4.24Å; I214-R415 VanDerWaalsContact CG2-O 3.29Å; I214-R415 WeakPolarHBondContact CG2-O 3.35Å; I214-A418 HydrophobicContact CG2-CB 3.87Å; I214-S419 PolarHBondContact N-OG 3.12Å
215	Y	81	Confident	89.2	Confident	41 Å²	41	35.7 Å²	35.7	16%	0.161	17%	0.168	C	C	.	.	H	α-helix	trans	-62.4	-57.3	169.9	179	-112.3	0	0	0	111	S213 I217 S218 E219	S213-Y215 PolarHBondContact O-N 2.79Å; Y215-I217 VanDerWaalsContact C-N 3.26Å; Y215-I217 PolarHBondContact O-N 3.27Å; Y215-S218 PolarHBondContact O-N 3.46Å; Y215-S218 VanDerWaalsContact O-N 3.08Å; Y215-S218 PolarHBondContact O-OG 3.16Å; Y215-E219 HydrophobicContact CD2-CG 4.14Å; Y215-E219 HydrophobicContact CE2-CG 3.66Å; Y215-E219 PolarHBondContact O-N 3.13Å; Y215-E219 VanDerWaalsContact O-N 3.11Å
216	D	81.8	Confident	89.3	Confident	48 Å²	48	35.7 Å²	35.7	26%	0.257	17%	0.168	S	C	.	.	H	α-helix	trans	-55	-42.8	178.9	-66	36.7	0	0	0	111.5	S213 R220	S213-D216 VanDerWaalsContact CB-OD1 3.25Å; S213-D216 WeakPolarHBondContact CB-OD1 3.48Å; S213-D216 PolarHBondContact O-N 3.15Å; S213-D216 VanDerWaalsContact OG-CG 3.28Å; S213-D216 PolarHBondContact OG-N 3.39Å; S213-D216 PolarHBondContact OG-OD1 3.19Å; D216-R220 VanDerWaalsContact O-CB 3.27Å; D216-R220 WeakPolarHBondContact O-CB 3.4Å; D216-R220 VanDerWaalsContact O-CD 3.24Å; D216-R220 WeakPolarHBondContact O-CD 3.42Å; D216-R220 WeakPolarHBondContact O-CG 3.47Å; D216-R220 PolarHBondContact O-N 3.41Å
217	I	89.9	Confident	89.5	Confident	0 Å²	0	34.7 Å²	34.7	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-64.5	-47.8	177.8	-63.9	160.4	0	0	0	110.6	S213 I214 Y215 E219 R220 L221 Y224 F263 L266 F288	S213-I217 WeakPolarHBondContact O-CD1 3.49Å; S213-I217 WeakPolarHBondContact O-CG1 3.48Å; S213-I217 PolarHBondContact O-N 3.11Å; S213-I217 VanDerWaalsContact O-N 3.17Å; I214-I217 HydrophobicContact CD1-CB 4.25Å; I214-I217 HydrophobicContact CD1-CD1 4.32Å; I214-I217 HydrophobicContact CD1-CG2 4.3Å; Y215-I217 VanDerWaalsContact C-N 3.26Å; Y215-I217 PolarHBondContact O-N 3.27Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.21Å; I217-R220 CarbonylContact O-C 3.59Å; I217-R220 PolarHBondContact O-N 2.98Å; I217-R220 VanDerWaalsContact O-N 3.12Å; I217-L221 HydrophobicContact CG2-CD2 4.33Å; I217-L221 WeakPolarHBondContact O-CD2 3.41Å; I217-L221 PolarHBondContact O-N 3.46Å; I217-Y224 HydrophobicContact CB-CE2 4.35Å; I217-Y224 HydrophobicContact CG1-CE1 4.4Å; I217-Y224 HydrophobicContact CG1-CE2 3.97Å; I217-Y224 HydrophobicContact CG2-CD2 4.4Å; I217-F263 HydrophobicContact CD1-CD2 4Å; I217-F263 HydrophobicContact CD1-CE2 3.41Å; I217-F263 VanDerWaalsContact CD1-CE2 3.41Å; I217-F263 HydrophobicContact CD1-CZ 4.08Å; I217-F263 HydrophobicContact CG1-CE2 3.83Å; I217-F263 HydrophobicContact CG1-CZ 4.25Å; I217-F263 HydrophobicContact CG2-CE2 4.37Å; I217-F263 HydrophobicContact CG2-CZ 3.95Å; I217-L266 HydrophobicContact CD1-CD2 3.76Å; I217-F288 HydrophobicContact CG2-CE1 4.09Å
218	S	88.8	Confident	89.8	Confident	5 Å²	5	30.2 Å²	30.2	4%	0.035	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-25.8	-176	67.7	0	0	0	0	115	I214 Y215 R415	I214-S218 WeakPolarHBondContact O-CB 3.37Å; I214-S218 PolarHBondContact O-N 3.46Å; I214-S218 PolarHBondContact O-OG 3.3Å; Y215-S218 PolarHBondContact O-N 3.46Å; Y215-S218 VanDerWaalsContact O-N 3.08Å; Y215-S218 PolarHBondContact O-OG 3.16Å; S218-R415 WeakPolarHBondContact OG-CD 3.41Å; S218-R415 PolarHBondContact OG-NE 3.25Å; S218-R415 PolarHBondContact OG-NH1 2.87Å
219	E	84.9	Confident	89.9	Confident	104 Å²	104	30.4 Å²	30.4	49%	0.486	15%	0.145	S	C	.	.	H	α-helix	trans	-90	-12.4	176.2	-61.8	-60.4	118.5	0	0	112.6	Y215 I217 R415	Y215-E219 HydrophobicContact CD2-CG 4.14Å; Y215-E219 HydrophobicContact CE2-CG 3.66Å; Y215-E219 PolarHBondContact O-N 3.13Å; Y215-E219 VanDerWaalsContact O-N 3.11Å; I217-E219 VanDerWaalsContact C-N 3.3Å; I217-E219 PolarHBondContact O-N 3.21Å; E219-R415 IonicContact OE1-CZ 2.73Å; E219-R415 IonicContact OE1-NH1 3.15Å; E219-R415 PolarHBondContact OE1-NH1 3.3Å; E219-R415 IonicContact OE1-NH2 3.91Å
220	R	89.3	Confident	90.1	Very high	70 Å²	70	30.3 Å²	30.3	26%	0.264	15%	0.145	S	C	.	.	S	Bend	trans	-123	24.2	-173	-58.5	170.4	179.9	-140.8	-18.9	112.9	E149 D216 I217 D222 F223 Y224	E149-R220 IonicContact OE1-CZ 3.27Å; E149-R220 IonicContact OE1-NH1 2.83Å; E149-R220 PolarHBondContact OE1-NH1 2.94Å; E149-R220 IonicContact OE1-NH2 2.82Å; E149-R220 VanDerWaalsContact OE2-CD 3.25Å; E149-R220 WeakPolarHBondContact OE2-CD 3.41Å; E149-R220 IonicContact OE2-CZ 2.63Å; E149-R220 IonicContact OE2-NE 3.88Å; E149-R220 PolarHBondContact OE2-NE 2.91Å; E149-R220 IonicContact OE2-NH1 2.98Å; E149-R220 PolarHBondContact OE2-NH1 2.77Å; E149-R220 VanDerWaalsContact OE2-NH1 3.08Å; E149-R220 IonicContact OE2-NH2 3.85Å; D216-R220 VanDerWaalsContact O-CB 3.27Å; D216-R220 WeakPolarHBondContact O-CB 3.4Å; D216-R220 VanDerWaalsContact O-CD 3.24Å; D216-R220 WeakPolarHBondContact O-CD 3.42Å; D216-R220 WeakPolarHBondContact O-CG 3.47Å; D216-R220 PolarHBondContact O-N 3.41Å; I217-R220 CarbonylContact O-C 3.59Å; I217-R220 PolarHBondContact O-N 2.98Å; I217-R220 VanDerWaalsContact O-N 3.12Å; R220-D222 PolarHBondContact O-N 3.3Å; R220-D222 VanDerWaalsContact O-N 3.13Å; R220-F223 WeakPolarHBondContact O-CB 3.42Å; R220-F223 PolarHBondContact O-N 3.27Å; R220-F223 VanDerWaalsContact O-N 3.12Å; R220-Y224 HydrophobicContact CB-CD2 4.15Å; R220-Y224 HydrophobicContact CB-CE2 4.31Å; R220-Y224 WeakPolarHBondContact O-CD2 3.47Å; R220-Y224 PolarHBondContact O-N 3.34Å
221	L	93.1	Very high	90.4	Very high	4 Å²	4	25.8 Å²	25.8	2%	0.021	13%	0.125	C	C	.	.	H	α-helix	trans	-52.3	-40.6	-172	-68.1	173.7	0	0	0	112.7	I217 F223 Y224 Q225 R284 L285 F288	I217-L221 HydrophobicContact CG2-CD2 4.33Å; I217-L221 WeakPolarHBondContact O-CD2 3.41Å; I217-L221 PolarHBondContact O-N 3.46Å; L221-F223 VanDerWaalsContact C-N 3.33Å; L221-F223 PolarHBondContact O-N 2.72Å; L221-Y224 CarbonylContact O-C 3.53Å; L221-Y224 PolarHBondContact O-N 3.04Å; L221-Q225 VanDerWaalsContact O-CG 3.3Å; L221-Q225 WeakPolarHBondContact O-CG 3.49Å; L221-Q225 PolarHBondContact O-N 3.44Å; L221-R284 HydrophobicContact CD1-CB 3.81Å; L221-L285 HydrophobicContact CD2-CD1 3.66Å; L221-F288 HydrophobicContact CD2-CB 4.07Å; L221-F288 HydrophobicContact CD2-CD1 3.69Å; L221-F288 HydrophobicContact CD2-CD2 4.33Å; L221-F288 HydrophobicContact CD2-CE1 4.21Å; L221-F288 HydrophobicContact CD2-CG 3.76Å
222	D	92.3	Very high	90.9	Very high	87 Å²	87	24.2 Å²	24.2	47%	0.465	12%	0.117	S	C	.	.	H	α-helix	trans	-70.2	-31.4	-172.8	-41.8	-56.3	0	0	0	111.4	R220 A226 R284	R220-D222 PolarHBondContact O-N 3.3Å; R220-D222 VanDerWaalsContact O-N 3.13Å; D222-A226 PolarHBondContact O-N 2.93Å; D222-R284 IonicContact OD1-NH2 2.71Å; D222-R284 PolarHBondContact OD1-NH2 2.72Å; D222-R284 IonicContact OD2-NH2 3.27Å; D222-R284 PolarHBondContact OD2-NH2 3.39Å
223	F	94.3	Very high	91.6	Very high	9 Å²	9	22.8 Å²	22.8	4%	0.039	11%	0.111	C	C	.	.	H	α-helix	trans	-68.3	-43.8	167.5	165.8	-86.1	0	0	0	111.9	E149 L152 M156 H208 R220 L221 Q225 A226 L227	E149-F223 HydrophobicContact CB-CD2 4.23Å; E149-F223 HydrophobicContact CG-CD2 4.48Å; L152-F223 HydrophobicContact CB-CD2 4.16Å; L152-F223 HydrophobicContact CB-CE2 3.85Å; L152-F223 HydrophobicContact CD1-CE2 4.17Å; M156-F223 HydrophobicContact CE-CD2 3.7Å; M156-F223 HydrophobicContact CE-CE2 3.52Å; M156-F223 HydrophobicContact CE-CG 4.41Å; M156-F223 HydrophobicContact CE-CZ 4.09Å; H208-F223 HydrophobicContact CB-CE1 4.38Å; H208-F223 AromaticContact CD2-CZ 3.8Å; H208-F223 AromaticContact CE1-CE1 3.55Å; H208-F223 AromaticContact CE1-CZ 3.48Å; H208-F223 VanDerWaalsContact CE1-CZ 3.48Å; H208-F223 WeakPolarHBondContact CE1-CZ 3.43Å; H208-F223 AromaticContact CG-CE1 3.73Å; H208-F223 AromaticContact CG-CZ 3.97Å; H208-F223 AromaticContact ND1-CE1 3.41Å; H208-F223 WeakPolarHBondContact ND1-CE1 3.3Å; H208-F223 AromaticContact ND1-CZ 3.78Å; H208-F223 AromaticContact NE2-CE1 3.98Å; H208-F223 AromaticContact NE2-CZ 3.52Å; R220-F223 WeakPolarHBondContact O-CB 3.42Å; R220-F223 PolarHBondContact O-N 3.27Å; R220-F223 VanDerWaalsContact O-N 3.12Å; L221-F223 VanDerWaalsContact C-N 3.33Å; L221-F223 PolarHBondContact O-N 2.72Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-Q225 PolarHBondContact O-N 3.32Å; F223-A226 PolarHBondContact O-N 2.64Å; F223-L227 WeakPolarHBondContact O-CB 3.5Å; F223-L227 PolarHBondContact O-N 3.35Å
224	Y	96	Very high	92.1	Very high	2 Å²	2	21.7 Å²	21.7	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-68	-31	178.9	-86.4	-81.2	0	0	0	112.7	H208 L209 N211 I217 R220 L221 L227 L228 F263	H208-Y224 HydrophobicContact CB-CE1 3.9Å; H208-Y224 VanDerWaalsContact O-CE1 3.31Å; H208-Y224 WeakPolarHBondContact O-CE1 3.27Å; H208-Y224 PolarHBondContact O-OH 3.3Å; L209-Y224 HydrophobicContact CD2-CD1 4.44Å; L209-Y224 HydrophobicContact CD2-CE1 4.41Å; N211-Y224 WeakPolarHBondContact CB-OH 3.43Å; N211-Y224 PolarHBondContact ND2-OH 3.37Å; I217-Y224 HydrophobicContact CB-CE2 4.35Å; I217-Y224 HydrophobicContact CG1-CE1 4.4Å; I217-Y224 HydrophobicContact CG1-CE2 3.97Å; I217-Y224 HydrophobicContact CG2-CD2 4.4Å; R220-Y224 HydrophobicContact CB-CD2 4.15Å; R220-Y224 HydrophobicContact CB-CE2 4.31Å; R220-Y224 WeakPolarHBondContact O-CD2 3.47Å; R220-Y224 PolarHBondContact O-N 3.34Å; L221-Y224 CarbonylContact O-C 3.53Å; L221-Y224 PolarHBondContact O-N 3.04Å; Y224-L227 HydrophobicContact CD1-CD2 4.19Å; Y224-L227 HydrophobicContact CE1-CD2 4.42Å; Y224-L228 WeakPolarHBondContact O-CG 3.48Å; Y224-L228 PolarHBondContact O-N 2.81Å; Y224-F263 AromaticContact CD1-CE2 3.94Å; Y224-F263 HydrophobicContact CD1-CE2 3.94Å; Y224-F263 AromaticContact CD1-CZ 3.55Å; Y224-F263 HydrophobicContact CD1-CZ 3.55Å; Y224-F263 AromaticContact CE1-CE2 3.58Å; Y224-F263 HydrophobicContact CE1-CE2 3.58Å; Y224-F263 AromaticContact CE1-CZ 3.71Å; Y224-F263 HydrophobicContact CE1-CZ 3.71Å; Y224-F263 HydrophobicContact CG-CZ 4.32Å
225	Q	95.7	Very high	92.4	Very high	69 Å²	69	21.7 Å²	21.7	32%	0.322	10%	0.103	S	C	.	.	H	α-helix	trans	-63.4	-51.1	170.4	-73.8	174.9	-12.1	0	0	110.5	L221 F223 L227 L228 N229 F288 M291	L221-Q225 VanDerWaalsContact O-CG 3.3Å; L221-Q225 WeakPolarHBondContact O-CG 3.49Å; L221-Q225 PolarHBondContact O-N 3.44Å; F223-Q225 VanDerWaalsContact C-N 3.32Å; F223-Q225 PolarHBondContact O-N 3.32Å; Q225-L227 VanDerWaalsContact C-N 3.3Å; Q225-L227 PolarHBondContact O-N 3.11Å; Q225-L228 PolarHBondContact O-N 3.38Å; Q225-N229 WeakPolarHBondContact O-CB 3.35Å; Q225-N229 PolarHBondContact O-N 3.44Å; Q225-F288 HydrophobicContact CG-CD2 3.7Å; Q225-F288 HydrophobicContact CG-CE2 3.93Å; Q225-M291 HydrophobicContact CB-CE 4.36Å; Q225-M291 HydrophobicContact CB-SD 3.95Å; Q225-M291 HydrophobicContact CG-SD 3.74Å; Q225-M291 VanDerWaalsContact O-CE 3.3Å; Q225-M291 WeakPolarHBondContact O-CE 3.45Å
226	A	95.6	Very high	93	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.025	10%	0.095	C	C	.	.	H	α-helix	trans	-59.8	-38	176.4	0	0	0	0	0	112.8	A153 M156 N157 D222 F223 M230	A153-A226 HydrophobicContact CB-CB 3.84Å; M156-A226 HydrophobicContact CB-CB 4.29Å; M156-A226 HydrophobicContact CE-CB 3.94Å; N157-A226 WeakPolarHBondContact OD1-CB 3.42Å; D222-A226 PolarHBondContact O-N 2.93Å; F223-A226 PolarHBondContact O-N 2.64Å; A226-M230 WeakPolarHBondContact O-CB 3.34Å; A226-M230 PolarHBondContact O-N 3.49Å
227	L	96.1	Very high	93.4	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-61	-49.2	173.9	-173.9	76.8	0	0	0	112	M156 M204 I205 H208 L209 F223 Y224 Q225 M230 V231	M156-L227 HydrophobicContact CE-CB 4.13Å; M156-L227 HydrophobicContact SD-CB 4.16Å; M156-L227 HydrophobicContact SD-CD1 3.7Å; M204-L227 HydrophobicContact CE-CD1 4.15Å; I205-L227 HydrophobicContact CG1-CD1 3.88Å; H208-L227 HydrophobicContact CB-CD2 3.68Å; L209-L227 HydrophobicContact CD2-CD2 4.21Å; L209-L227 HydrophobicContact CG-CD2 4.2Å; F223-L227 WeakPolarHBondContact O-CB 3.5Å; F223-L227 PolarHBondContact O-N 3.35Å; Y224-L227 HydrophobicContact CD1-CD2 4.19Å; Y224-L227 HydrophobicContact CE1-CD2 4.42Å; Q225-L227 VanDerWaalsContact C-N 3.3Å; Q225-L227 PolarHBondContact O-N 3.11Å; L227-M230 HydrophobicContact CD1-CE 4.09Å; L227-V231 WeakPolarHBondContact O-CB 3.5Å; L227-V231 WeakPolarHBondContact O-CG2 3.08Å; L227-V231 PolarHBondContact O-N 3.28Å
228	L	95.9	Very high	93.2	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.107	C	C	.	.	H	α-helix	trans	-70.6	-35.3	-179.9	-69.5	175.2	0	0	0	112.4	L209 Y224 Q225 V231 C232 L260 F288 M291 V292	L209-L228 HydrophobicContact CD1-CD2 4.31Å; L209-L228 HydrophobicContact CD2-CD2 4.21Å; Y224-L228 WeakPolarHBondContact O-CG 3.48Å; Y224-L228 PolarHBondContact O-N 2.81Å; Q225-L228 PolarHBondContact O-N 3.38Å; L228-V231 WeakPolarHBondContact O-CB 3.39Å; L228-V231 PolarHBondContact O-N 2.88Å; L228-C232 PolarHBondContact O-N 2.93Å; L228-C232 PolarHBondContact O-SG 3Å; L228-C232 VanDerWaalsContact O-SG 3.36Å; L228-L260 HydrophobicContact CD2-CD1 3.75Å; L228-F288 HydrophobicContact CD1-CE2 3.79Å; L228-F288 HydrophobicContact CD1-CZ 3.7Å; L228-M291 HydrophobicContact CB-CE 4.19Å; L228-V292 HydrophobicContact CD1-CG2 3.68Å
229	N	95.8	Very high	93	Very high	10 Å²	10	23.7 Å²	23.7	5%	0.053	13%	0.133	C	C	.	.	H	α-helix	trans	-59.7	-52.2	173.3	-177.4	38.4	0	0	0	111.4	N157 S166 Q225 V231 C232 C233 M291	N157-N229 PolarHBondContact OD1-ND2 2.98Å; N157-N229 VanDerWaalsContact OD1-ND2 3.13Å; S166-N229 PolarHBondContact O-ND2 2.86Å; Q225-N229 WeakPolarHBondContact O-CB 3.35Å; Q225-N229 PolarHBondContact O-N 3.44Å; N229-V231 VanDerWaalsContact C-N 3.31Å; N229-V231 PolarHBondContact O-N 2.89Å; N229-C232 WeakPolarHBondContact O-CB 3.48Å; N229-C232 PolarHBondContact O-N 3.33Å; N229-C233 PolarHBondContact O-N 2.85Å; N229-C233 PolarHBondContact O-SG 2.81Å; N229-C233 VanDerWaalsContact O-SG 3.34Å; N229-M291 HydrophobicContact CB-CE 3.99Å
230	M	95.8	Very high	93.2	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-58	-42.4	174	178.7	-173	62.7	0	0	111.8	M156 L159 I201 M204 I205 A226 L227 C233 I234	M156-M230 HydrophobicContact CB-CB 4.27Å; M156-M230 HydrophobicContact CB-CE 4.47Å; M156-M230 HydrophobicContact CB-SD 3.93Å; M156-M230 HydrophobicContact CG-CE 3.88Å; M156-M230 HydrophobicContact CG-SD 3.68Å; M156-M230 HydrophobicContact SD-CE 3.62Å; M156-M230 HydrophobicContact SD-SD 4.26Å; L159-M230 HydrophobicContact CD2-CG 4.38Å; L159-M230 HydrophobicContact CD2-SD 3.91Å; I201-M230 HydrophobicContact CG2-CE 3.81Å; I201-M230 HydrophobicContact CG2-SD 4.18Å; M204-M230 HydrophobicContact CE-CE 4.02Å; I205-M230 HydrophobicContact CD1-CE 4.23Å; I205-M230 HydrophobicContact CG1-CE 4.25Å; A226-M230 WeakPolarHBondContact O-CB 3.34Å; A226-M230 PolarHBondContact O-N 3.49Å; L227-M230 HydrophobicContact CD1-CE 4.09Å; M230-C233 PolarHBondContact O-N 2.91Å; M230-I234 HydrophobicContact CG-CD1 4Å; M230-I234 VanDerWaalsContact O-CG1 3.29Å; M230-I234 WeakPolarHBondContact O-CG1 3.38Å; M230-I234 PolarHBondContact O-N 2.88Å
231	V	95.6	Very high	93.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-59.1	-47	174.6	156	0	0	0	0	112	I205 L227 L228 N229 C233 I234 V235 L255 M299	I205-V231 HydrophobicContact CD1-CG2 3.7Å; I205-V231 HydrophobicContact CG1-CG2 3.89Å; I205-V231 HydrophobicContact CG2-CG2 3.9Å; L227-V231 WeakPolarHBondContact O-CB 3.5Å; L227-V231 WeakPolarHBondContact O-CG2 3.08Å; L227-V231 PolarHBondContact O-N 3.28Å; L228-V231 WeakPolarHBondContact O-CB 3.39Å; L228-V231 PolarHBondContact O-N 2.88Å; N229-V231 VanDerWaalsContact C-N 3.31Å; N229-V231 PolarHBondContact O-N 2.89Å; V231-C233 PolarHBondContact O-N 3.06Å; V231-I234 PolarHBondContact O-N 2.77Å; V231-V235 HydrophobicContact CG1-CG2 4.48Å; V231-V235 WeakPolarHBondContact O-CG2 3.49Å; V231-V235 PolarHBondContact O-N 3.12Å; V231-L255 HydrophobicContact CG1-CD2 3.45Å; V231-L255 VanDerWaalsContact CG1-CD2 3.45Å; V231-L255 HydrophobicContact CG2-CD2 4.36Å; V231-M299 HydrophobicContact CG1-SD 4.41Å
232	C	96.3	Very high	92.8	Very high	3 Å²	3	19 Å²	19	2%	0.02	12%	0.116	C	C	.	.	H	α-helix	trans	-58.1	-47.5	174.8	-72.6	0	0	0	0	111.3	F170 L228 N229 I234 V235 I236 C295 L298	F170-C232 HydrophobicContact CD1-CB 3.92Å; F170-C232 HydrophobicContact CD2-CB 3.65Å; F170-C232 HydrophobicContact CE1-CB 3.82Å; F170-C232 HydrophobicContact CE2-CB 3.54Å; F170-C232 HydrophobicContact CG-CB 3.84Å; F170-C232 HydrophobicContact CZ-CB 3.63Å; L228-C232 PolarHBondContact O-N 2.93Å; L228-C232 PolarHBondContact O-SG 3Å; L228-C232 VanDerWaalsContact O-SG 3.36Å; N229-C232 WeakPolarHBondContact O-CB 3.48Å; N229-C232 PolarHBondContact O-N 3.33Å; C232-I234 VanDerWaalsContact C-N 3.25Å; C232-I234 PolarHBondContact O-N 2.91Å; C232-V235 PolarHBondContact O-N 3.41Å; C232-I236 WeakPolarHBondContact O-CG2 3.32Å; C232-I236 PolarHBondContact O-N 3.33Å; C232-C295 VanDerWaalsContact SG-SG 3.68Å; C232-L298 HydrophobicContact CB-CD2 3.57Å
233	C	95.2	Very high	92.5	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.099	C	C	.	.	H	α-helix	trans	-63.2	-25.9	177.8	-65	0	0	0	0	113.9	A160 L163 N229 M230 V231 H237	A160-C233 HydrophobicContact CB-CB 4.3Å; L163-C233 HydrophobicContact CB-CB 3.95Å; L163-C233 HydrophobicContact CD1-CB 4.37Å; N229-C233 PolarHBondContact O-N 2.85Å; N229-C233 PolarHBondContact O-SG 2.81Å; N229-C233 VanDerWaalsContact O-SG 3.34Å; M230-C233 PolarHBondContact O-N 2.91Å; V231-C233 PolarHBondContact O-N 3.06Å; C233-H237 PolarHBondContact O-CD2 3.02Å
234	I	94.2	Very high	92.3	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	10%	0.098	C	C	.	.	H	α-helix	trans	-78.6	-45.9	172.7	-67.5	164.2	0	0	0	110.8	L163 M230 V231 C232 I236 H237 L240 Y243 V244	L163-I234 HydrophobicContact CD1-CG1 3.56Å; M230-I234 HydrophobicContact CG-CD1 4Å; M230-I234 VanDerWaalsContact O-CG1 3.29Å; M230-I234 WeakPolarHBondContact O-CG1 3.38Å; M230-I234 PolarHBondContact O-N 2.88Å; V231-I234 PolarHBondContact O-N 2.77Å; C232-I234 VanDerWaalsContact C-N 3.25Å; C232-I234 PolarHBondContact O-N 2.91Å; I234-I236 PolarHBondContact O-N 2.84Å; I234-H237 PolarHBondContact O-N 2.91Å; I234-L240 HydrophobicContact CG2-CB 3.98Å; I234-Y243 HydrophobicContact CG2-CD1 4.38Å; I234-V244 HydrophobicContact CB-CG2 4.43Å; I234-V244 HydrophobicContact CG2-CG2 3.62Å
235	V	93.3	Very high	91.8	Very high	0 Å²	0	15.7 Å²	15.7	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-71.6	-27	-168.9	169.5	0	0	0	0	113.8	V231 C232 H237 M241 V244 L245 M299 C302	V231-V235 HydrophobicContact CG1-CG2 4.48Å; V231-V235 WeakPolarHBondContact O-CG2 3.49Å; V231-V235 PolarHBondContact O-N 3.12Å; C232-V235 PolarHBondContact O-N 3.41Å; V235-H237 PolarHBondContact O-N 2.8Å; V235-M241 HydrophobicContact CG1-CG 4.34Å; V235-V244 HydrophobicContact CG2-CB 4.26Å; V235-L245 HydrophobicContact CG1-CD1 3.78Å; V235-L245 HydrophobicContact CG1-CD2 4.02Å; V235-L245 HydrophobicContact CG1-CG 3.96Å; V235-L245 HydrophobicContact CG2-CD2 3.66Å; V235-L245 HydrophobicContact CG2-CG 4.06Å; V235-M299 HydrophobicContact CG1-CB 4.47Å; V235-M299 HydrophobicContact CG1-CG 4.06Å; V235-M299 HydrophobicContact CG2-CG 4.48Å; V235-C302 HydrophobicContact CG1-CB 3.71Å
236	I	93.1	Very high	91.2	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	10%	0.096	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.8	-16.6	176.3	61.5	-175.5	0	0	0	113.8	Y164 F170 V176 L180 C232 I234 L298 Y306	Y164-I236 HydrophobicContact CD1-CD1 4.08Å; Y164-I236 HydrophobicContact CD2-CD1 3.88Å; Y164-I236 HydrophobicContact CE2-CD1 4.38Å; Y164-I236 HydrophobicContact CG-CD1 3.71Å; F170-I236 HydrophobicContact CE1-CD1 4.35Å; V176-I236 HydrophobicContact CG1-CD1 4.3Å; V176-I236 HydrophobicContact CG1-CG2 3.93Å; L180-I236 HydrophobicContact CD1-CD1 4.05Å; L180-I236 HydrophobicContact CD1-CG1 4.26Å; L180-I236 HydrophobicContact CD2-CB 4.37Å; L180-I236 VanDerWaalsContact CD2-O 3.25Å; L180-I236 WeakPolarHBondContact CD2-O 3.49Å; C232-I236 WeakPolarHBondContact O-CG2 3.32Å; C232-I236 PolarHBondContact O-N 3.33Å; I234-I236 PolarHBondContact O-N 2.84Å; I236-L298 HydrophobicContact CG2-CD1 3.93Å; I236-L298 HydrophobicContact CG2-CD2 3.79Å; I236-L298 HydrophobicContact CG2-CG 4.09Å; I236-Y306 PolarHBondContact O-OH 2.8Å
237	H	90.6	Very high	90.2	Very high	5 Å²	5	17.5 Å²	17.5	2%	0.023	10%	0.104	C	C	.	.	S	Bend	trans	-90.1	120.1	178.6	-69.9	-56.1	0	0	0	110.7	L163 V188 C233 I234 V235 G239 L240 M241	L163-H237 PolarHBondContact O-CE1 3.44Å; L163-H237 PolarHBondContact O-NE2 2.69Å; V188-H237 HydrophobicContact CG1-CB 4.37Å; C233-H237 PolarHBondContact O-CD2 3.02Å; I234-H237 PolarHBondContact O-N 2.91Å; V235-H237 PolarHBondContact O-N 2.8Å; H237-G239 VanDerWaalsContact C-N 3.29Å; H237-G239 PolarHBondContact O-N 2.91Å; H237-L240 HydrophobicContact CB-CB 4.03Å; H237-L240 HydrophobicContact CB-CD1 4.01Å; H237-L240 HydrophobicContact CB-CG 3.97Å; H237-L240 CarbonylContact O-C 3.47Å; H237-L240 PolarHBondContact O-N 2.94Å; H237-M241 PolarHBondContact O-N 3.29Å
238	P	85.2	Confident	89.4	Confident	76 Å²	76	24.7 Å²	24.7	49%	0.494	14%	0.143	S	C	.	.	H	α-helix	trans	-57.5	-38.4	-174.9	17.6	-29.8	0	0	0	113.6	L240 Y306	P238-L240 VanDerWaalsContact C-N 3.28Å; P238-L240 PolarHBondContact O-N 3.48Å; P238-Y306 HydrophobicContact CB-CD1 3.68Å; P238-Y306 HydrophobicContact CB-CE1 3.82Å; P238-Y306 HydrophobicContact CB-CG 4.2Å; P238-Y306 HydrophobicContact CG-CD1 4.46Å; P238-Y306 HydrophobicContact CG-CE1 4.13Å
239	G	84.6	Confident	88.6	Confident	55 Å²	55	26 Å²	26	57%	0.567	16%	0.156	S	C	*	.	H	α-helix	trans	-73.4	-13.2	177.1	0	0	0	0	0	114.9	H237	H237-G239 VanDerWaalsContact C-N 3.29Å; H237-G239 PolarHBondContact O-N 2.91Å
240	L	89.9	Confident	87.8	Confident	4 Å²	4	28.9 Å²	28.9	2%	0.021	18%	0.176	C	C	.	.	H	α-helix	trans	-112.2	-20.6	-179	-52.9	-177.6	0	0	0	113.3	L163 V188 I192 L196 I234 H237 P238 N242 Y243	L163-L240 HydrophobicContact CD2-CD1 3.89Å; V188-L240 HydrophobicContact CG1-CD1 3.96Å; V188-L240 HydrophobicContact CG1-CG 4.47Å; I192-L240 HydrophobicContact CG2-CD1 4.25Å; L196-L240 HydrophobicContact CD1-CD1 4.25Å; L196-L240 HydrophobicContact CD1-CD2 4.31Å; I234-L240 HydrophobicContact CG2-CB 3.98Å; H237-L240 HydrophobicContact CB-CB 4.03Å; H237-L240 HydrophobicContact CB-CD1 4.01Å; H237-L240 HydrophobicContact CB-CG 3.97Å; H237-L240 CarbonylContact O-C 3.47Å; H237-L240 PolarHBondContact O-N 2.94Å; P238-L240 VanDerWaalsContact C-N 3.28Å; P238-L240 PolarHBondContact O-N 3.48Å; L240-N242 PolarHBondContact O-N 3.5Å; L240-N242 VanDerWaalsContact O-N 3.14Å; L240-Y243 VanDerWaalsContact O-CB 3.23Å; L240-Y243 WeakPolarHBondContact O-CB 3.36Å; L240-Y243 PolarHBondContact O-N 2.91Å
241	M	87.9	Confident	86.9	Confident	1 Å²	1	32.6 Å²	32.6	1%	0.005	20%	0.2	C	C	.	.	H	α-helix	trans	-47	-46.6	179.2	-178.5	-170.7	73	0	0	112.9	V235 H237 Y243 V244 L245 C302 Y306 V307	V235-M241 HydrophobicContact CG1-CG 4.34Å; H237-M241 PolarHBondContact O-N 3.29Å; M241-Y243 PolarHBondContact O-N 2.82Å; M241-V244 PolarHBondContact O-N 2.98Å; M241-L245 HydrophobicContact CG-CB 4.17Å; M241-L245 HydrophobicContact CG-CD1 3.59Å; M241-L245 HydrophobicContact CG-CG 3.75Å; M241-L245 PolarHBondContact O-N 2.92Å; M241-L245 HydrophobicContact SD-CD1 3.92Å; M241-C302 HydrophobicContact SD-CB 4.37Å; M241-Y306 HydrophobicContact SD-CD2 3.74Å; M241-Y306 HydrophobicContact SD-CG 4.23Å; M241-V307 HydrophobicContact CE-CG2 4.03Å
242	N	85.4	Confident	86	Confident	74 Å²	74	39.2 Å²	39.2	40%	0.396	23%	0.231	S	C	.	.	H	α-helix	trans	-66.2	-21.4	-175.6	-72.8	-9.8	0	0	0	113.6	L240 V244	L240-N242 PolarHBondContact O-N 3.5Å; L240-N242 VanDerWaalsContact O-N 3.14Å; N242-V244 VanDerWaalsContact C-N 3.26Å; N242-V244 PolarHBondContact O-N 2.87Å
243	Y	86.6	Confident	85.2	Confident	28 Å²	28	42.5 Å²	42.5	11%	0.11	25%	0.246	C	C	.	.	H	α-helix	trans	-60.7	-36.2	174.3	176.6	-115.4	0	0	0	111.7	L196 Q197 S199 I201 H202 I234 L240 M241	L196-Y243 HydrophobicContact CB-CD1 4.33Å; L196-Y243 HydrophobicContact CB-CE1 4Å; L196-Y243 HydrophobicContact CB-CE2 4.24Å; L196-Y243 HydrophobicContact CD2-CE1 4.48Å; L196-Y243 WeakPolarHBondContact O-CE2 3.29Å; L196-Y243 VanDerWaalsContact O-CZ 3.24Å; L196-Y243 PolarHBondContact O-OH 3.2Å; Q197-Y243 HydrophobicContact CG-CD2 4.18Å; Q197-Y243 HydrophobicContact CG-CE2 4.45Å; S199-Y243 PolarHBondContact OG-OH 2.88Å; I201-Y243 HydrophobicContact CG2-CE1 4.47Å; H202-Y243 HydrophobicContact CB-CE1 4.16Å; H202-Y243 HydrophobicContact CB-CE2 3.96Å; H202-Y243 WeakPolarHBondContact CB-OH 3.36Å; H202-Y243 PolarHBondContact CD2-O 2.88Å; H202-Y243 PolarHBondContact N-OH 3.47Å; I234-Y243 HydrophobicContact CG2-CD1 4.38Å; L240-Y243 VanDerWaalsContact O-CB 3.23Å; L240-Y243 WeakPolarHBondContact O-CB 3.36Å; L240-Y243 PolarHBondContact O-N 2.91Å; M241-Y243 PolarHBondContact O-N 2.82Å
244	V	89.2	Confident	84.8	Confident	1 Å²	1	42.5 Å²	42.5	1%	0.006	25%	0.246	C	C	.	.	H	α-helix	trans	-113.6	-38.3	-172.2	-164.5	0	0	0	0	113.4	I205 I234 V235 M241 N242 L255	I205-V244 HydrophobicContact CG2-CG1 4.46Å; I234-V244 HydrophobicContact CB-CG2 4.43Å; I234-V244 HydrophobicContact CG2-CG2 3.62Å; V235-V244 HydrophobicContact CG2-CB 4.26Å; M241-V244 PolarHBondContact O-N 2.98Å; N242-V244 VanDerWaalsContact C-N 3.26Å; N242-V244 PolarHBondContact O-N 2.87Å; V244-L255 HydrophobicContact CG1-CB 4.05Å; V244-L255 HydrophobicContact CG1-CD2 3.45Å; V244-L255 VanDerWaalsContact CG1-CD2 3.45Å; V244-L255 HydrophobicContact CG1-CG 4.38Å; V244-L255 WeakPolarHBondContact O-CB 3.26Å
245	L	85.7	Confident	84.5	Confident	0 Å²	0	42.6 Å²	42.6	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-78.6	-29.6	-176.4	-62.9	-156.6	0	0	0	113.2	V235 M241 S254 L255 L256 M299 N303	V235-L245 HydrophobicContact CG1-CD1 3.78Å; V235-L245 HydrophobicContact CG1-CD2 4.02Å; V235-L245 HydrophobicContact CG1-CG 3.96Å; V235-L245 HydrophobicContact CG2-CD2 3.66Å; V235-L245 HydrophobicContact CG2-CG 4.06Å; M241-L245 HydrophobicContact CG-CB 4.17Å; M241-L245 HydrophobicContact CG-CD1 3.59Å; M241-L245 HydrophobicContact CG-CG 3.75Å; M241-L245 PolarHBondContact O-N 2.92Å; M241-L245 HydrophobicContact SD-CD1 3.92Å; L245-S254 WeakPolarHBondContact O-CB 3.38Å; L245-S254 PolarHBondContact O-OG 3.36Å; L245-L255 HydrophobicContact CD2-CB 4.46Å; L245-L256 HydrophobicContact CD1-CD2 4.38Å; L245-L256 HydrophobicContact CD2-CB 4.28Å; L245-M299 HydrophobicContact CD1-CB 4.37Å; L245-M299 HydrophobicContact CD2-CB 4.12Å; L245-M299 HydrophobicContact CD2-CG 3.95Å; L245-M299 HydrophobicContact CD2-SD 3.6Å; L245-N303 HydrophobicContact CD1-CB 4.21Å
246	R	83.5	Confident	84.2	Confident	79 Å²	79	43 Å²	43	30%	0.298	25%	0.249	S	C	.	.			trans	40	60.1	-176.9	-60.1	-175.1	-176.7	-135.9	-12.2	112.7	H202 D248 G249 E253	H202-R246 VanDerWaalsContact CE1-CZ 3.49Å; H202-R246 PolarHBondContact CE1-NE 2.88Å; H202-R246 PolarHBondContact CE1-NH2 2.93Å; H202-R246 VanDerWaalsContact CE1-NH2 3.25Å; H202-R246 PolarHBondContact NE2-NE 3.41Å; H202-R246 PolarHBondContact NE2-NH2 3.02Å; R246-D248 VanDerWaalsContact C-N 3.3Å; R246-D248 PolarHBondContact O-N 2.99Å; R246-G249 PolarHBondContact O-N 3.33Å; R246-E253 IonicContact CZ-OE2 3.77Å; R246-E253 IonicContact NE-OE2 2.7Å; R246-E253 IonicContact NH1-OE1 3.68Å; R246-E253 IonicContact NH1-OE2 2.68Å; R246-E253 PolarHBondContact NH1-OE2 3.3Å
247	P	74.8	Confident	83.7	Confident	31 Å²	31	47.8 Å²	47.8	20%	0.201	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59	-38.8	-171.7	22.6	-32.6	0	0	0	113.2	G249 V307	P247-G249 VanDerWaalsContact C-N 3.35Å; P247-V307 HydrophobicContact CB-CG2 4.01Å; P247-V307 HydrophobicContact CG-CG2 4.14Å
248	D	79.2	Confident	83.5	Confident	151 Å²	151	53.6 Å²	53.6	81%	0.807	30%	0.295	S	S	*	.	T	Hydrogen-bonded Turn	trans	-93.2	9.4	177.5	-43.7	-77.6	0	0	0	113.1	R246	R246-D248 VanDerWaalsContact C-N 3.3Å; R246-D248 PolarHBondContact O-N 2.99Å
249	G	77.8	Confident	83.8	Confident	27 Å²	27	50.3 Å²	50.3	28%	0.278	27%	0.273	S	S	.	.	S	Bend	trans	-94.2	176.6	-175.6	0	0	0	0	0	114.2	R246 P247	R246-G249 PolarHBondContact O-N 3.33Å; P247-G249 VanDerWaalsContact C-N 3.35Å
250	P	80.2	Confident	84.2	Confident	72 Å²	72	47.7 Å²	47.7	47%	0.468	25%	0.246	S	C	.	.			trans	-62.1	132.5	174	27	-33.9	0	0	0	110.1	E252 E253 S254	P250-E252 PolarHBondContact O-N 2.99Å; P250-E253 HydrophobicContact CG-CB 4.29Å; P250-E253 HydrophobicContact CG-CG 3.96Å; P250-E253 WeakPolarHBondContact CG-OE2 3.06Å; P250-E253 PolarHBondContact O-N 3.46Å; P250-S254 PolarHBondContact O-N 2.76Å
251	P	76.1	Confident	84.3	Confident	78 Å²	78	49.1 Å²	49.1	51%	0.506	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	-24.5	-170.8	23.3	-33.9	0	0	0	113.1	E253 S254 L257 R258	P251-E253 PolarHBondContact O-N 3.49Å; P251-S254 PolarHBondContact O-N 2.98Å; P251-L257 HydrophobicContact CB-CB 4.49Å; P251-R258 WeakPolarHBondContact O-CB 3.14Å
252	E	78.3	Confident	84.2	Confident	138 Å²	138	51.2 Å²	51.2	65%	0.645	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-12	176.9	-61.9	-167.1	-166.4	0	0	115.4	K210 P250	K210-E252 WeakPolarHBondContact CE-O 3.17Å; K210-E252 PolarHBondContact NZ-O 3.17Å; P250-E252 PolarHBondContact O-N 2.99Å
253	E	77.7	Confident	84.5	Confident	72 Å²	72	47.7 Å²	47.7	34%	0.336	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-104.7	-24.4	172	-59.9	-169.5	138.1	0	0	112.2	R246 P250 P251 L255	R246-E253 IonicContact CZ-OE2 3.77Å; R246-E253 IonicContact NE-OE2 2.7Å; R246-E253 IonicContact NH1-OE1 3.68Å; R246-E253 IonicContact NH1-OE2 2.68Å; R246-E253 PolarHBondContact NH1-OE2 3.3Å; P250-E253 HydrophobicContact CG-CB 4.29Å; P250-E253 HydrophobicContact CG-CG 3.96Å; P250-E253 WeakPolarHBondContact CG-OE2 3.06Å; P250-E253 PolarHBondContact O-N 3.46Å; P251-E253 PolarHBondContact O-N 3.49Å; E253-L255 PolarHBondContact O-N 2.82Å
254	S	86.6	Confident	84.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.007	26%	0.256	C	S	.	.			trans	-63.8	117.6	177.3	178.5	0	0	0	0	111.2	L245 P250 P251 L256 L257 R258 L259	L245-S254 WeakPolarHBondContact O-CB 3.38Å; L245-S254 PolarHBondContact O-OG 3.36Å; P250-S254 PolarHBondContact O-N 2.76Å; P251-S254 PolarHBondContact O-N 2.98Å; S254-L256 VanDerWaalsContact C-N 3.26Å; S254-L256 PolarHBondContact O-N 3.22Å; S254-L256 PolarHBondContact OG-N 3.29Å; S254-L257 WeakPolarHBondContact OG-CG 3.47Å; S254-L257 PolarHBondContact OG-N 2.89Å; S254-R258 PolarHBondContact O-N 3.14Å; S254-R258 VanDerWaalsContact O-N 3.16Å; S254-L259 PolarHBondContact O-N 3.19Å
255	L	89.3	Confident	84.9	Confident	2 Å²	2	52.7 Å²	52.7	1%	0.01	28%	0.277	C	S	.	.	I	π-helix	trans	-58.7	-40.9	174.1	176.1	59	0	0	0	112.1	L209 V231 V244 L245 E253 L259 L260 M299	L209-L255 HydrophobicContact CD1-CD1 3.35Å; V231-L255 HydrophobicContact CG1-CD2 3.45Å; V231-L255 VanDerWaalsContact CG1-CD2 3.45Å; V231-L255 HydrophobicContact CG2-CD2 4.36Å; V244-L255 HydrophobicContact CG1-CB 4.05Å; V244-L255 HydrophobicContact CG1-CD2 3.45Å; V244-L255 VanDerWaalsContact CG1-CD2 3.45Å; V244-L255 HydrophobicContact CG1-CG 4.38Å; V244-L255 WeakPolarHBondContact O-CB 3.26Å; L245-L255 HydrophobicContact CD2-CB 4.46Å; E253-L255 PolarHBondContact O-N 2.82Å; L255-L259 HydrophobicContact CD1-CB 3.99Å; L255-L260 HydrophobicContact CD1-CB 3.9Å; L255-L260 PolarHBondContact O-N 3.33Å; L255-M299 HydrophobicContact CB-SD 4.48Å; L255-M299 HydrophobicContact CD2-CE 4.34Å; L255-M299 HydrophobicContact CD2-SD 3.41Å; L255-M299 WeakPolarHBondContact CD2-SD 3.11Å; L255-M299 HydrophobicContact CG-CE 3.99Å; L255-M299 HydrophobicContact CG-SD 3.6Å; L255-M299 VanDerWaalsContact CG-SD 3.6Å
256	L	85.9	Confident	85	Confident	9 Å²	9	52.7 Å²	52.7	5%	0.047	28%	0.277	C	S	.	.	I	π-helix	trans	-71.5	-46.7	-177.4	176.7	59.2	0	0	0	112.3	L245 S254 P261 M299 N303	L245-L256 HydrophobicContact CD1-CD2 4.38Å; L245-L256 HydrophobicContact CD2-CB 4.28Å; S254-L256 VanDerWaalsContact C-N 3.26Å; S254-L256 PolarHBondContact O-N 3.22Å; S254-L256 PolarHBondContact OG-N 3.29Å; L256-P261 WeakPolarHBondContact O-CD 3.33Å; L256-P261 WeakPolarHBondContact O-CG 3.32Å; L256-M299 HydrophobicContact CD1-CB 3.9Å; L256-M299 HydrophobicContact CD1-CE 4.44Å; L256-N303 HydrophobicContact CD2-CB 3.56Å
257	L	83.1	Confident	85.4	Confident	99 Å²	99	49 Å²	49	52%	0.518	26%	0.263	S	S	.	.	I	π-helix	trans	-81.9	-26	-171.1	-59.1	176.2	0	0	0	113.4	P251 S254	P251-L257 HydrophobicContact CB-CB 4.49Å; S254-L257 WeakPolarHBondContact OG-CG 3.47Å; S254-L257 PolarHBondContact OG-N 2.89Å
258	R	87.2	Confident	86.1	Confident	128 Å²	128	50 Å²	50	48%	0.483	27%	0.268	S	S	.	.	I	π-helix	trans	-137.6	-48.9	-173.4	-167.1	58.4	163.9	154	-11.7	115.7	P251 S254 N262	P251-R258 WeakPolarHBondContact O-CB 3.14Å; S254-R258 PolarHBondContact O-N 3.14Å; S254-R258 VanDerWaalsContact O-N 3.16Å; R258-N262 WeakPolarHBondContact CD-ND2 3.36Å; R258-N262 PolarHBondContact NE-ND2 2.7Å; R258-N262 PolarHBondContact NH1-ND2 2.75Å; R258-N262 PolarHBondContact NH1-OD1 2.97Å; R258-N262 WeakPolarHBondContact O-CB 3.4Å; R258-N262 PolarHBondContact O-N 3.27Å; R258-N262 VanDerWaalsContact O-N 3.12Å; R258-N262 PolarHBondContact O-ND2 2.95Å; R258-N262 PolarHBondContact O-OD1 3.17Å
259	L	91.2	Very high	86.4	Confident	6 Å²	6	44.2 Å²	44.2	3%	0.031	24%	0.24	C	C	.	.	I	π-helix	trans	-70.2	-54.8	-167.1	-52.3	-178.1	0	0	0	112.5	T206 L209 K210 S254 L255 N262 F263	T206-L259 HydrophobicContact CG2-CD1 4.09Å; L209-L259 HydrophobicContact CB-CB 4.35Å; K210-L259 HydrophobicContact CD-CD2 4.3Å; K210-L259 VanDerWaalsContact CE-CD2 3.45Å; K210-L259 HydrophobicContact CG-CD2 3.77Å; S254-L259 PolarHBondContact O-N 3.19Å; L255-L259 HydrophobicContact CD1-CB 3.99Å; L259-N262 PolarHBondContact O-N 3.32Å; L259-F263 WeakPolarHBondContact O-CB 3.35Å; L259-F263 PolarHBondContact O-N 3.16Å
260	L	92.8	Very high	86.9	Confident	0 Å²	0	43 Å²	43	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-68.1	-39.5	179	-159.5	70.8	0	0	0	113.1	L209 L228 L255 N262 F263 R264 V292 C295 Q296 M299	L209-L260 HydrophobicContact CD1-CD1 4.45Å; L209-L260 HydrophobicContact CD2-CD1 4.44Å; L228-L260 HydrophobicContact CD2-CD1 3.75Å; L255-L260 HydrophobicContact CD1-CB 3.9Å; L255-L260 PolarHBondContact O-N 3.33Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.01Å; L260-F263 HydrophobicContact CD1-CD1 4.03Å; L260-F263 PolarHBondContact O-N 3.36Å; L260-R264 WeakPolarHBondContact O-CB 3.43Å; L260-R264 PolarHBondContact O-N 3.04Å; L260-V292 HydrophobicContact CD1-CG1 4.09Å; L260-V292 HydrophobicContact CD2-CG1 4.38Å; L260-V292 HydrophobicContact CG-CG1 4.11Å; L260-C295 HydrophobicContact CD2-CB 3.98Å; L260-Q296 HydrophobicContact CD2-CB 3.92Å; L260-M299 HydrophobicContact CB-CE 3.92Å; L260-M299 HydrophobicContact CD2-CE 3.35Å; L260-M299 HydrophobicContact CG-CE 4.27Å
261	P	90.9	Very high	87.4	Confident	35 Å²	35	40.7 Å²	40.7	23%	0.227	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-44.1	171.8	-27.7	33.4	0	0	0	113.9	L256 S265	L256-P261 WeakPolarHBondContact O-CD 3.33Å; L256-P261 WeakPolarHBondContact O-CG 3.32Å; P261-S265 WeakPolarHBondContact O-CB 3.46Å; P261-S265 PolarHBondContact O-N 3.5Å
262	N	87.7	Confident	87.9	Confident	45 Å²	45	39.2 Å²	39.2	24%	0.241	21%	0.205	C	C	.	.	H	α-helix	trans	-67.3	-47.8	177.7	-67.1	-5	0	0	0	111.5	R258 L259 L260 R264 S265 L266	R258-N262 WeakPolarHBondContact CD-ND2 3.36Å; R258-N262 PolarHBondContact NE-ND2 2.7Å; R258-N262 PolarHBondContact NH1-ND2 2.75Å; R258-N262 PolarHBondContact NH1-OD1 2.97Å; R258-N262 WeakPolarHBondContact O-CB 3.4Å; R258-N262 PolarHBondContact O-N 3.27Å; R258-N262 VanDerWaalsContact O-N 3.12Å; R258-N262 PolarHBondContact O-ND2 2.95Å; R258-N262 PolarHBondContact O-OD1 3.17Å; L259-N262 PolarHBondContact O-N 3.32Å; L260-N262 VanDerWaalsContact C-N 3.33Å; L260-N262 PolarHBondContact O-N 3.01Å; N262-R264 VanDerWaalsContact C-N 3.32Å; N262-R264 PolarHBondContact O-N 2.91Å; N262-S265 WeakPolarHBondContact O-CB 3.36Å; N262-S265 PolarHBondContact O-N 2.65Å; N262-S265 VanDerWaalsContact O-N 3.12Å; N262-L266 PolarHBondContact O-N 2.92Å; N262-L266 VanDerWaalsContact O-N 3.13Å
263	F	91.7	Very high	88	Confident	0 Å²	0	34.1 Å²	34.1	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-58.7	-43.2	178.9	-176.7	-96.6	0	0	0	111.8	L209 I217 Y224 L259 L260 I267 F288 V292	L209-F263 HydrophobicContact CD2-CD1 3.99Å; L209-F263 HydrophobicContact CD2-CD2 3.85Å; L209-F263 HydrophobicContact CD2-CE1 3.99Å; L209-F263 HydrophobicContact CD2-CE2 3.85Å; L209-F263 HydrophobicContact CD2-CG 3.92Å; L209-F263 HydrophobicContact CD2-CZ 3.93Å; I217-F263 HydrophobicContact CD1-CD2 4Å; I217-F263 HydrophobicContact CD1-CE2 3.41Å; I217-F263 VanDerWaalsContact CD1-CE2 3.41Å; I217-F263 HydrophobicContact CD1-CZ 4.08Å; I217-F263 HydrophobicContact CG1-CE2 3.83Å; I217-F263 HydrophobicContact CG1-CZ 4.25Å; I217-F263 HydrophobicContact CG2-CE2 4.37Å; I217-F263 HydrophobicContact CG2-CZ 3.95Å; Y224-F263 AromaticContact CD1-CE2 3.94Å; Y224-F263 HydrophobicContact CD1-CE2 3.94Å; Y224-F263 AromaticContact CD1-CZ 3.55Å; Y224-F263 HydrophobicContact CD1-CZ 3.55Å; Y224-F263 AromaticContact CE1-CE2 3.58Å; Y224-F263 HydrophobicContact CE1-CE2 3.58Å; Y224-F263 AromaticContact CE1-CZ 3.71Å; Y224-F263 HydrophobicContact CE1-CZ 3.71Å; Y224-F263 HydrophobicContact CG-CZ 4.32Å; L259-F263 WeakPolarHBondContact O-CB 3.35Å; L259-F263 PolarHBondContact O-N 3.16Å; L260-F263 HydrophobicContact CD1-CD1 4.03Å; L260-F263 PolarHBondContact O-N 3.36Å; F263-I267 HydrophobicContact CD1-CD1 3.88Å; F263-I267 HydrophobicContact CE1-CD1 3.68Å; F263-I267 HydrophobicContact CZ-CD1 4.36Å; F263-I267 WeakPolarHBondContact O-CG1 3.23Å; F263-I267 PolarHBondContact O-N 3.38Å; F263-F288 AromaticContact CE1-CE1 3.76Å; F263-F288 HydrophobicContact CE1-CE1 3.76Å; F263-F288 AromaticContact CE1-CZ 3.89Å; F263-F288 HydrophobicContact CE1-CZ 3.89Å; F263-F288 HydrophobicContact CZ-CE1 4.01Å; F263-F288 HydrophobicContact CZ-CZ 4.11Å; F263-V292 HydrophobicContact CD1-CG2 4.36Å; F263-V292 HydrophobicContact CE1-CG2 4.1Å
264	R	93.6	Very high	88.2	Confident	72 Å²	72	30.8 Å²	30.8	27%	0.272	17%	0.165	S	C	.	.	H	α-helix	trans	-60.2	-46.6	171.8	-175.8	-174.4	-177.8	-72.7	-9	112.1	L260 N262 L266 I267 V268 L289 V292 D293	L260-R264 WeakPolarHBondContact O-CB 3.43Å; L260-R264 PolarHBondContact O-N 3.04Å; N262-R264 VanDerWaalsContact C-N 3.32Å; N262-R264 PolarHBondContact O-N 2.91Å; R264-L266 VanDerWaalsContact C-N 3.31Å; R264-L266 PolarHBondContact O-N 3.44Å; R264-I267 PolarHBondContact O-N 2.97Å; R264-V268 HydrophobicContact CG-CG2 4.4Å; R264-V268 WeakPolarHBondContact O-CG2 3.25Å; R264-V268 PolarHBondContact O-N 2.8Å; R264-L289 HydrophobicContact CG-CD1 3.84Å; R264-V292 HydrophobicContact CB-CG1 3.7Å; R264-V292 HydrophobicContact CG-CG1 3.89Å; R264-D293 IonicContact CZ-OD1 2.77Å; R264-D293 IonicContact CZ-OD2 3.57Å; R264-D293 IonicContact NE-OD1 2.83Å; R264-D293 PolarHBondContact NE-OD1 3.44Å; R264-D293 IonicContact NE-OD2 3.41Å; R264-D293 VanDerWaalsContact NH2-CG 3.33Å; R264-D293 IonicContact NH2-OD1 3.18Å; R264-D293 PolarHBondContact NH2-OD1 3.3Å; R264-D293 IonicContact NH2-OD2 3.82Å; R264-D293 PolarHBondContact NH2-OD2 3.14Å
265	S	89.2	Confident	88	Confident	62 Å²	62	40.2 Å²	40.2	43%	0.434	20%	0.201	S	C	.	.	H	α-helix	trans	-59.5	-41.7	-178.2	-163.2	0	0	0	0	112	P261 N262 I267 V268 S269	P261-S265 WeakPolarHBondContact O-CB 3.46Å; P261-S265 PolarHBondContact O-N 3.5Å; N262-S265 WeakPolarHBondContact O-CB 3.36Å; N262-S265 PolarHBondContact O-N 2.65Å; N262-S265 VanDerWaalsContact O-N 3.12Å; S265-I267 VanDerWaalsContact C-N 3.35Å; S265-I267 PolarHBondContact O-N 2.99Å; S265-V268 PolarHBondContact O-N 3.13Å; S265-S269 PolarHBondContact O-N 3.45Å; S265-S269 PolarHBondContact O-OG 3.27Å
266	L	87.8	Confident	87.6	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-57.8	-44.8	175.7	178.9	73.2	0	0	0	112.4	I214 I217 N262 R264 Y270 A418	I214-L266 HydrophobicContact CB-CD1 4.43Å; I214-L266 HydrophobicContact CB-CD2 4.2Å; I214-L266 HydrophobicContact CB-CG 4.1Å; I214-L266 HydrophobicContact CD1-CD2 4.39Å; I214-L266 HydrophobicContact CD1-CG 4.34Å; I217-L266 HydrophobicContact CD1-CD2 3.76Å; N262-L266 PolarHBondContact O-N 2.92Å; N262-L266 VanDerWaalsContact O-N 3.13Å; R264-L266 VanDerWaalsContact C-N 3.31Å; R264-L266 PolarHBondContact O-N 3.44Å; L266-Y270 PolarHBondContact O-N 3.01Å; L266-Y270 VanDerWaalsContact O-N 3.16Å; L266-A418 WeakPolarHBondContact CD1-O 3.32Å
267	I	92	Very high	87.2	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-64.5	-43.9	177.8	-63.5	161.5	0	0	0	110.5	I214 F263 R264 S265 Y270 L271 L285 F288 L289 V292	I214-I267 HydrophobicContact CD1-CB 4.38Å; I214-I267 HydrophobicContact CD1-CG1 3.68Å; F263-I267 HydrophobicContact CD1-CD1 3.88Å; F263-I267 HydrophobicContact CE1-CD1 3.68Å; F263-I267 HydrophobicContact CZ-CD1 4.36Å; F263-I267 WeakPolarHBondContact O-CG1 3.23Å; F263-I267 PolarHBondContact O-N 3.38Å; R264-I267 PolarHBondContact O-N 2.97Å; S265-I267 VanDerWaalsContact C-N 3.35Å; S265-I267 PolarHBondContact O-N 2.99Å; I267-Y270 PolarHBondContact O-N 3.32Å; I267-L271 HydrophobicContact CG2-CD1 3.93Å; I267-L271 HydrophobicContact CG2-CG 4.49Å; I267-L271 WeakPolarHBondContact O-CG 3.37Å; I267-L271 PolarHBondContact O-N 2.78Å; I267-L285 HydrophobicContact CG2-CD1 4.2Å; I267-L285 HydrophobicContact CG2-CD2 4.12Å; I267-L285 HydrophobicContact CG2-CG 3.88Å; I267-F288 HydrophobicContact CD1-CD1 4.03Å; I267-F288 HydrophobicContact CD1-CE1 3.75Å; I267-L289 HydrophobicContact CB-CD1 4.43Å; I267-L289 HydrophobicContact CG2-CB 3.96Å; I267-L289 HydrophobicContact CG2-CD1 4.06Å; I267-L289 HydrophobicContact CG2-CD2 4.46Å; I267-L289 HydrophobicContact CG2-CG 4.38Å; I267-V292 HydrophobicContact CD1-CG2 4.13Å
268	V	90.6	Very high	86.8	Confident	53 Å²	53	44.1 Å²	44.1	32%	0.321	22%	0.219	S	C	.	.	H	α-helix	trans	-62.9	-45.7	177.7	172.8	0	0	0	0	111.5	R264 S265 Y270 L271 A272 L289	R264-V268 HydrophobicContact CG-CG2 4.4Å; R264-V268 WeakPolarHBondContact O-CG2 3.25Å; R264-V268 PolarHBondContact O-N 2.8Å; S265-V268 PolarHBondContact O-N 3.13Å; V268-Y270 VanDerWaalsContact C-N 3.34Å; V268-Y270 PolarHBondContact O-N 3.16Å; V268-L271 PolarHBondContact O-N 3.03Å; V268-A272 WeakPolarHBondContact O-CB 3.35Å; V268-A272 PolarHBondContact O-N 3.41Å; V268-L289 HydrophobicContact CG2-CD1 3.96Å; V268-L289 HydrophobicContact CG2-CD2 3.8Å
269	S	84.8	Confident	86.3	Confident	30 Å²	30	47.8 Å²	47.8	21%	0.21	23%	0.233	C	C	.	.	H	α-helix	trans	-56.4	-46	175.6	-73.1	0	0	0	0	112	S265 A272 F273 E421	S265-S269 PolarHBondContact O-N 3.45Å; S265-S269 PolarHBondContact O-OG 3.27Å; S269-A272 PolarHBondContact O-N 3.24Å; S269-F273 WeakPolarHBondContact O-CB 3.37Å; S269-F273 PolarHBondContact O-N 3.13Å; S269-E421 WeakPolarHBondContact CB-OE2 3.22Å; S269-E421 PolarHBondContact OG-OE2 3.33Å
270	Y	89	Confident	85.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.8	-42.3	177.5	170	-98.6	0	0	0	113.3	I214 L266 I267 V268 A272 F273 T274 D282 L285 A414 R415 A418	I214-Y270 HydrophobicContact CG1-CD1 4.25Å; I214-Y270 HydrophobicContact CG1-CG 3.99Å; I214-Y270 HydrophobicContact CG2-CD2 4.16Å; I214-Y270 HydrophobicContact CG2-CG 4.31Å; L266-Y270 PolarHBondContact O-N 3.01Å; L266-Y270 VanDerWaalsContact O-N 3.16Å; I267-Y270 PolarHBondContact O-N 3.32Å; V268-Y270 VanDerWaalsContact C-N 3.34Å; V268-Y270 PolarHBondContact O-N 3.16Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; Y270-F273 PolarHBondContact O-N 2.97Å; Y270-T274 HydrophobicContact CD1-CG2 4.4Å; Y270-T274 HydrophobicContact CD2-CG2 3.9Å; Y270-T274 HydrophobicContact CE1-CG2 3.98Å; Y270-T274 HydrophobicContact CE2-CG2 3.34Å; Y270-T274 HydrophobicContact CG-CG2 4.42Å; Y270-T274 VanDerWaalsContact CZ-CG2 3.45Å; Y270-T274 WeakPolarHBondContact O-CG2 3.44Å; Y270-T274 PolarHBondContact O-N 3.19Å; Y270-T274 PolarHBondContact O-OG1 3.28Å; Y270-D282 HydrophobicContact CE1-CB 4.01Å; Y270-D282 PolarHBondContact OH-OD2 3.35Å; Y270-L285 HydrophobicContact CD1-CD2 3.22Å; Y270-L285 HydrophobicContact CE1-CD2 3.36Å; Y270-L285 HydrophobicContact CG-CD2 4.37Å; Y270-A414 HydrophobicContact CD2-CB 4.32Å; Y270-A414 HydrophobicContact CE2-CB 3.86Å; Y270-R415 HydrophobicContact CD2-CG 3.96Å; Y270-R415 HydrophobicContact CE2-CB 4.18Å; Y270-R415 HydrophobicContact CE2-CG 3.23Å; Y270-R415 PolarHBondContact OH-NE 3.4Å; Y270-A418 HydrophobicContact CD2-CB 4.1Å; Y270-A418 HydrophobicContact CG-CB 4.36Å
271	L	90.5	Very high	84.8	Confident	25 Å²	25	53.2 Å²	53.2	13%	0.131	27%	0.268	C	S	.	.	H	α-helix	trans	-67.5	-35.1	178.3	-72.4	173.6	0	0	0	111.8	I267 V268 T274 R275 D282 L285 L289	I267-L271 HydrophobicContact CG2-CD1 3.93Å; I267-L271 HydrophobicContact CG2-CG 4.49Å; I267-L271 WeakPolarHBondContact O-CG 3.37Å; I267-L271 PolarHBondContact O-N 2.78Å; V268-L271 PolarHBondContact O-N 3.03Å; L271-T274 PolarHBondContact O-OG1 3.45Å; L271-R275 VanDerWaalsContact O-CB 3.29Å; L271-R275 WeakPolarHBondContact O-CB 3.29Å; L271-R275 PolarHBondContact O-N 3.26Å; L271-D282 HydrophobicContact CD2-CB 4.23Å; L271-L285 HydrophobicContact CD2-CB 4.34Å; L271-L285 HydrophobicContact CD2-CD2 4.18Å; L271-L285 HydrophobicContact CG-CD2 4.23Å; L271-L289 HydrophobicContact CD1-CB 4.24Å; L271-L289 HydrophobicContact CD1-CD2 3.79Å
272	A	85.6	Confident	84.5	Confident	47 Å²	47	52.1 Å²	52.1	39%	0.388	26%	0.261	S	S	.	.	H	α-helix	trans	-64.8	-47.6	169.9	0	0	0	0	0	111.5	V268 S269 Y270 R275 L276	V268-A272 WeakPolarHBondContact O-CB 3.35Å; V268-A272 PolarHBondContact O-N 3.41Å; S269-A272 PolarHBondContact O-N 3.24Å; Y270-A272 VanDerWaalsContact C-N 3.34Å; A272-R275 PolarHBondContact O-N 2.92Å; A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.26Å
273	F	81.8	Confident	84.6	Confident	31 Å²	31	55.2 Å²	55.2	14%	0.136	28%	0.276	C	S	.	.	H	α-helix	trans	-59.8	-48.8	179.2	-173.8	-80	0	0	0	112.3	S269 Y270 L276 K277 A414 I417 C441	S269-F273 WeakPolarHBondContact O-CB 3.37Å; S269-F273 PolarHBondContact O-N 3.13Å; Y270-F273 PolarHBondContact O-N 2.97Å; F273-L276 PolarHBondContact O-N 2.73Å; F273-K277 HydrophobicContact CD1-CB 4.18Å; F273-K277 HydrophobicContact CD1-CG 4.19Å; F273-K277 HydrophobicContact CD2-CG 4.2Å; F273-K277 HydrophobicContact CE1-CB 3.78Å; F273-K277 HydrophobicContact CE1-CG 3.84Å; F273-K277 HydrophobicContact CE2-CD 4.38Å; F273-K277 HydrophobicContact CE2-CG 3.85Å; F273-K277 HydrophobicContact CG-CG 4.36Å; F273-K277 HydrophobicContact CZ-CB 4.06Å; F273-K277 HydrophobicContact CZ-CD 4.22Å; F273-K277 HydrophobicContact CZ-CG 3.65Å; F273-K277 WeakPolarHBondContact O-CB 3.4Å; F273-K277 PolarHBondContact O-N 2.96Å; F273-A414 HydrophobicContact CD1-CB 3.51Å; F273-A414 HydrophobicContact CE1-CB 3.6Å; F273-I417 HydrophobicContact CD2-CG2 4.14Å; F273-I417 HydrophobicContact CE1-CD1 4.02Å; F273-I417 HydrophobicContact CE2-CB 4.28Å; F273-I417 HydrophobicContact CE2-CD1 4Å; F273-I417 HydrophobicContact CE2-CG2 3.65Å; F273-I417 HydrophobicContact CZ-CB 4.27Å; F273-I417 HydrophobicContact CZ-CD1 3.35Å; F273-I417 HydrophobicContact CZ-CG1 4.4Å; F273-I417 HydrophobicContact CZ-CG2 4.1Å; F273-C441 HydrophobicContact CE1-CB 3.96Å; F273-C441 HydrophobicContact CZ-CB 3.71Å
274	T	81.7	Confident	84.6	Confident	1 Å²	1	60.8 Å²	60.8	1%	0.006	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-40.4	-179.2	48.8	0	0	0	0	112.3	Y270 L271 L276 L278 R279 A414	Y270-T274 HydrophobicContact CD1-CG2 4.4Å; Y270-T274 HydrophobicContact CD2-CG2 3.9Å; Y270-T274 HydrophobicContact CE1-CG2 3.98Å; Y270-T274 HydrophobicContact CE2-CG2 3.34Å; Y270-T274 HydrophobicContact CG-CG2 4.42Å; Y270-T274 VanDerWaalsContact CZ-CG2 3.45Å; Y270-T274 WeakPolarHBondContact O-CG2 3.44Å; Y270-T274 PolarHBondContact O-N 3.19Å; Y270-T274 PolarHBondContact O-OG1 3.28Å; L271-T274 PolarHBondContact O-OG1 3.45Å; T274-L276 VanDerWaalsContact C-N 3.35Å; T274-L276 PolarHBondContact O-N 3.38Å; T274-L278 HydrophobicContact CG2-CD1 3.94Å; T274-L278 WeakPolarHBondContact O-CA 3.37Å; T274-L278 WeakPolarHBondContact O-CB 3.41Å; T274-L278 PolarHBondContact O-N 3.17Å; T274-R279 PolarHBondContact O-N 2.88Å; T274-R279 VanDerWaalsContact O-N 3.13Å; T274-A414 HydrophobicContact CG2-CB 3.7Å
275	R	82.4	Confident	84.5	Confident	200 Å²	200	57.4 Å²	57.4	76%	0.755	29%	0.285	S	S	*	.	H	α-helix	trans	-58.4	-44.2	172.9	179.5	175	175.2	159.9	-1.2	112.1	L271 A272	L271-R275 VanDerWaalsContact O-CB 3.29Å; L271-R275 WeakPolarHBondContact O-CB 3.29Å; L271-R275 PolarHBondContact O-N 3.26Å; A272-R275 PolarHBondContact O-N 2.92Å
276	L	80	Confident	84.7	Confident	138 Å²	138	56.8 Å²	56.8	72%	0.723	28%	0.278	S	S	*	.	H	α-helix	trans	-76.4	-51.5	-177.4	-69.4	169.9	0	0	0	113.1	A272 F273 T274	A272-L276 WeakPolarHBondContact O-CG 3.47Å; A272-L276 PolarHBondContact O-N 3.26Å; F273-L276 PolarHBondContact O-N 2.73Å; T274-L276 VanDerWaalsContact C-N 3.35Å; T274-L276 PolarHBondContact O-N 3.38Å
277	K	76.7	Confident	85	Confident	33 Å²	33	62.4 Å²	62.4	14%	0.143	31%	0.305	C	S	.	.	H	α-helix	trans	-91	-30.7	-168.4	-62.3	-89.7	-166.8	-179.8	0	113.7	F273 S376 E437 E438	F273-K277 HydrophobicContact CD1-CB 4.18Å; F273-K277 HydrophobicContact CD1-CG 4.19Å; F273-K277 HydrophobicContact CD2-CG 4.2Å; F273-K277 HydrophobicContact CE1-CB 3.78Å; F273-K277 HydrophobicContact CE1-CG 3.84Å; F273-K277 HydrophobicContact CE2-CD 4.38Å; F273-K277 HydrophobicContact CE2-CG 3.85Å; F273-K277 HydrophobicContact CG-CG 4.36Å; F273-K277 HydrophobicContact CZ-CB 4.06Å; F273-K277 HydrophobicContact CZ-CD 4.22Å; F273-K277 HydrophobicContact CZ-CG 3.65Å; F273-K277 WeakPolarHBondContact O-CB 3.4Å; F273-K277 PolarHBondContact O-N 2.96Å; K277-S376 PolarHBondContact NZ-OG 2.98Å; K277-E437 PolarHBondContact NZ-O 2.84Å; K277-E438 PolarHBondContact NZ-O 2.93Å
278	L	76.6	Confident	85.2	Confident	20 Å²	20	62.4 Å²	62.4	11%	0.105	31%	0.305	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	-18.9	-179.1	-54.7	-178.7	0	0	0	113.6	T274 T280 G410 K411 A414	T274-L278 HydrophobicContact CG2-CD1 3.94Å; T274-L278 WeakPolarHBondContact O-CA 3.37Å; T274-L278 WeakPolarHBondContact O-CB 3.41Å; T274-L278 PolarHBondContact O-N 3.17Å; L278-T280 PolarHBondContact O-N 3.45Å; L278-T280 VanDerWaalsContact O-N 3.15Å; L278-G410 VanDerWaalsContact CD1-C 3.46Å; L278-G410 WeakPolarHBondContact CD1-O 3.25Å; L278-K411 HydrophobicContact CD1-CG 4.26Å; L278-A414 HydrophobicContact CD1-CB 3.97Å
279	R	76	Confident	85.4	Confident	205 Å²	205	61 Å²	61	77%	0.774	30%	0.295	S	S	*	.	S	Bend	trans	57.8	19.1	-173.5	-53	-178.2	-179.4	-176.1	0.1	114.3	T274	T274-R279 PolarHBondContact O-N 2.88Å; T274-R279 VanDerWaalsContact O-N 3.13Å
280	T	74.4	Confident	85.9	Confident	35 Å²	35	65.3 Å²	65.3	22%	0.215	31%	0.312	C	S	.	.			trans	-125	119.6	176.6	62.1	0	0	0	0	110.4	L278	L278-T280 PolarHBondContact O-N 3.45Å; L278-T280 VanDerWaalsContact O-N 3.15Å
281	P	77.7	Confident	86.2	Confident	85 Å²	85	67.8 Å²	67.8	55%	0.552	32%	0.324	S	S	*	.			trans	-71.1	149.4	175.9	30.4	-34.8	0	0	0	111.5	L283	P281-L283 HydrophobicContact CB-CD2 4.2Å; P281-L283 HydrophobicContact CG-CD2 4.11Å
282	D	85.7	Confident	86.5	Confident	13 Å²	13	66.6 Å²	66.6	7%	0.07	32%	0.318	C	S	.	.			trans	-100.9	77.2	175.3	-148.9	3.8	0	0	0	110	Y270 L271 R284 L285 T286 K411 R415	Y270-D282 HydrophobicContact CE1-CB 4.01Å; Y270-D282 PolarHBondContact OH-OD2 3.35Å; L271-D282 HydrophobicContact CD2-CB 4.23Å; D282-R284 PolarHBondContact O-N 2.84Å; D282-L285 HydrophobicContact CB-CB 4.46Å; D282-L285 WeakPolarHBondContact O-CA 3.37Å; D282-L285 WeakPolarHBondContact O-CB 3.36Å; D282-L285 PolarHBondContact O-N 2.73Å; D282-T286 PolarHBondContact O-N 3.05Å; D282-T286 VanDerWaalsContact O-N 3.14Å; D282-K411 IonicContact OD1-NZ 3.58Å; D282-K411 PolarHBondContact OD1-NZ 3.35Å; D282-K411 IonicContact OD2-NZ 2.72Å; D282-R415 IonicContact OD2-CZ 3.75Å; D282-R415 IonicContact OD2-NE 3.39Å; D282-R415 IonicContact OD2-NH2 3.95Å; D282-R415 PolarHBondContact OD2-NH2 3.2Å
283	L	88.8	Confident	87	Confident	109 Å²	109	66.1 Å²	66.1	57%	0.571	31%	0.309	S	S	*	.	H	α-helix	trans	-51.9	-44.7	-164.9	-62.7	174.8	0	0	0	114.5	P281 L285 T286 E287	P281-L283 HydrophobicContact CB-CD2 4.2Å; P281-L283 HydrophobicContact CG-CD2 4.11Å; L283-L285 PolarHBondContact O-N 3.17Å; L283-L285 VanDerWaalsContact O-N 3.15Å; L283-T286 WeakPolarHBondContact O-CB 3.4Å; L283-T286 PolarHBondContact O-N 2.8Å; L283-E287 WeakPolarHBondContact O-CG 3.42Å; L283-E287 PolarHBondContact O-N 3.36Å
284	R	91	Very high	87.6	Confident	118 Å²	118	65.1 Å²	65.1	45%	0.445	31%	0.306	S	S	.	.	H	α-helix	trans	-54.1	-35.4	175.8	-76.3	-171	75.3	-168.7	7.9	112.9	L221 D222 D282 F288	L221-R284 HydrophobicContact CD1-CB 3.81Å; D222-R284 IonicContact OD1-NH2 2.71Å; D222-R284 PolarHBondContact OD1-NH2 2.72Å; D222-R284 IonicContact OD2-NH2 3.27Å; D222-R284 PolarHBondContact OD2-NH2 3.39Å; D282-R284 PolarHBondContact O-N 2.84Å; R284-F288 WeakPolarHBondContact O-CB 3.34Å; R284-F288 PolarHBondContact O-N 2.91Å
285	L	92	Very high	88.3	Confident	1 Å²	1	65.2 Å²	65.2	1%	0.005	31%	0.306	C	S	.	.	H	α-helix	trans	-85.9	-26.1	-178.4	-169	75.4	0	0	0	111.9	I214 L221 I267 Y270 L271 D282 L283 F288 L289	I214-L285 HydrophobicContact CD1-CD1 4.41Å; I214-L285 HydrophobicContact CD1-CD2 4.19Å; I214-L285 HydrophobicContact CG1-CD2 4.36Å; L221-L285 HydrophobicContact CD2-CD1 3.66Å; I267-L285 HydrophobicContact CG2-CD1 4.2Å; I267-L285 HydrophobicContact CG2-CD2 4.12Å; I267-L285 HydrophobicContact CG2-CG 3.88Å; Y270-L285 HydrophobicContact CD1-CD2 3.22Å; Y270-L285 HydrophobicContact CE1-CD2 3.36Å; Y270-L285 HydrophobicContact CG-CD2 4.37Å; L271-L285 HydrophobicContact CD2-CB 4.34Å; L271-L285 HydrophobicContact CD2-CD2 4.18Å; L271-L285 HydrophobicContact CG-CD2 4.23Å; D282-L285 HydrophobicContact CB-CB 4.46Å; D282-L285 WeakPolarHBondContact O-CA 3.37Å; D282-L285 WeakPolarHBondContact O-CB 3.36Å; D282-L285 PolarHBondContact O-N 2.73Å; L283-L285 PolarHBondContact O-N 3.17Å; L283-L285 VanDerWaalsContact O-N 3.15Å; L285-F288 HydrophobicContact CD1-CD1 3.94Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 PolarHBondContact O-N 3.33Å
286	T	93.7	Very high	88.9	Confident	48 Å²	48	57.6 Å²	57.6	29%	0.294	28%	0.279	S	S	.	.	H	α-helix	trans	-64.1	-49.3	165.6	-54.1	0	0	0	0	110.6	D282 L283 F288 L289 E290	D282-T286 PolarHBondContact O-N 3.05Å; D282-T286 VanDerWaalsContact O-N 3.14Å; L283-T286 WeakPolarHBondContact O-CB 3.4Å; L283-T286 PolarHBondContact O-N 2.8Å; T286-F288 VanDerWaalsContact C-N 3.27Å; T286-F288 PolarHBondContact O-N 3.1Å; T286-L289 WeakPolarHBondContact O-CB 3.15Å; T286-L289 PolarHBondContact O-N 2.85Å; T286-E290 PolarHBondContact O-N 2.81Å; T286-E290 VanDerWaalsContact O-N 3.08Å
287	E	94	Very high	89.6	Confident	118 Å²	118	56.8 Å²	56.8	55%	0.551	27%	0.267	S	S	*	.	H	α-helix	trans	-56.9	-41.1	174.6	-67.7	160.7	-172.3	0	0	111.1	L283 E290 M291	L283-E287 WeakPolarHBondContact O-CG 3.42Å; L283-E287 PolarHBondContact O-N 3.36Å; E287-E290 PolarHBondContact O-N 3.28Å; E287-M291 PolarHBondContact O-N 3.19Å
288	F	95.8	Very high	90.5	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-68.3	-35.4	174	-178.1	-112.1	0	0	0	113.7	I217 L221 Q225 L228 F263 I267 R284 L285 T286 E290 M291 V292	I217-F288 HydrophobicContact CG2-CE1 4.09Å; L221-F288 HydrophobicContact CD2-CB 4.07Å; L221-F288 HydrophobicContact CD2-CD1 3.69Å; L221-F288 HydrophobicContact CD2-CD2 4.33Å; L221-F288 HydrophobicContact CD2-CE1 4.21Å; L221-F288 HydrophobicContact CD2-CG 3.76Å; Q225-F288 HydrophobicContact CG-CD2 3.7Å; Q225-F288 HydrophobicContact CG-CE2 3.93Å; L228-F288 HydrophobicContact CD1-CE2 3.79Å; L228-F288 HydrophobicContact CD1-CZ 3.7Å; F263-F288 AromaticContact CE1-CE1 3.76Å; F263-F288 HydrophobicContact CE1-CE1 3.76Å; F263-F288 AromaticContact CE1-CZ 3.89Å; F263-F288 HydrophobicContact CE1-CZ 3.89Å; F263-F288 HydrophobicContact CZ-CE1 4.01Å; F263-F288 HydrophobicContact CZ-CZ 4.11Å; I267-F288 HydrophobicContact CD1-CD1 4.03Å; I267-F288 HydrophobicContact CD1-CE1 3.75Å; R284-F288 WeakPolarHBondContact O-CB 3.34Å; R284-F288 PolarHBondContact O-N 2.91Å; L285-F288 HydrophobicContact CD1-CD1 3.94Å; T286-F288 VanDerWaalsContact C-N 3.27Å; T286-F288 PolarHBondContact O-N 3.1Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 2.8Å; F288-M291 WeakPolarHBondContact O-CB 3.47Å; F288-M291 PolarHBondContact O-N 3.06Å; F288-V292 HydrophobicContact CD1-CG2 4.31Å; F288-V292 HydrophobicContact CE1-CG2 3.9Å; F288-V292 HydrophobicContact CZ-CG2 3.98Å; F288-V292 WeakPolarHBondContact O-CG2 3.4Å; F288-V292 PolarHBondContact O-N 3.02Å
289	L	95.8	Very high	91.3	Very high	24 Å²	24	54.2 Å²	54.2	13%	0.126	26%	0.255	C	S	.	.	H	α-helix	trans	-63.6	-36.9	174.5	178	61.4	0	0	0	111.4	R264 I267 V268 L271 L285 T286 M291 V292 D293	R264-L289 HydrophobicContact CG-CD1 3.84Å; I267-L289 HydrophobicContact CB-CD1 4.43Å; I267-L289 HydrophobicContact CG2-CB 3.96Å; I267-L289 HydrophobicContact CG2-CD1 4.06Å; I267-L289 HydrophobicContact CG2-CD2 4.46Å; I267-L289 HydrophobicContact CG2-CG 4.38Å; V268-L289 HydrophobicContact CG2-CD1 3.96Å; V268-L289 HydrophobicContact CG2-CD2 3.8Å; L271-L289 HydrophobicContact CD1-CB 4.24Å; L271-L289 HydrophobicContact CD1-CD2 3.79Å; L285-L289 WeakPolarHBondContact O-CB 3.47Å; L285-L289 PolarHBondContact O-N 3.33Å; T286-L289 WeakPolarHBondContact O-CB 3.15Å; T286-L289 PolarHBondContact O-N 2.85Å; L289-M291 VanDerWaalsContact C-N 3.29Å; L289-M291 PolarHBondContact O-N 3.37Å; L289-V292 HydrophobicContact CD1-CB 4.48Å; L289-V292 WeakPolarHBondContact O-CB 3.2Å; L289-V292 PolarHBondContact O-N 3.23Å; L289-V292 VanDerWaalsContact O-N 3.16Å; L289-D293 PolarHBondContact O-N 3.17Å
290	E	95.5	Very high	92	Very high	121 Å²	121	48.5 Å²	48.5	57%	0.565	24%	0.239	S	C	*	.	H	α-helix	trans	-62	-37.5	174.8	-68.5	174.6	-176	0	0	111.8	T286 E287 F288 D293 S294	T286-E290 PolarHBondContact O-N 2.81Å; T286-E290 VanDerWaalsContact O-N 3.08Å; E287-E290 PolarHBondContact O-N 3.28Å; F288-E290 VanDerWaalsContact C-N 3.3Å; F288-E290 PolarHBondContact O-N 2.8Å; E290-D293 PolarHBondContact O-N 2.98Å; E290-S294 PolarHBondContact O-N 2.87Å; E290-S294 PolarHBondContact O-OG 3.44Å
291	M	94.9	Very high	92.9	Very high	51 Å²	51	47.8 Å²	47.8	25%	0.251	24%	0.237	S	C	.	.	H	α-helix	trans	-65.9	-41.3	171.7	-171.1	-177.2	-172.4	0	0	112.3	Q225 L228 N229 E287 F288 L289 S294 C295	Q225-M291 HydrophobicContact CB-CE 4.36Å; Q225-M291 HydrophobicContact CB-SD 3.95Å; Q225-M291 HydrophobicContact CG-SD 3.74Å; Q225-M291 VanDerWaalsContact O-CE 3.3Å; Q225-M291 WeakPolarHBondContact O-CE 3.45Å; L228-M291 HydrophobicContact CB-CE 4.19Å; N229-M291 HydrophobicContact CB-CE 3.99Å; E287-M291 PolarHBondContact O-N 3.19Å; F288-M291 WeakPolarHBondContact O-CB 3.47Å; F288-M291 PolarHBondContact O-N 3.06Å; L289-M291 VanDerWaalsContact C-N 3.29Å; L289-M291 PolarHBondContact O-N 3.37Å; M291-S294 PolarHBondContact O-N 3.3Å; M291-C295 WeakPolarHBondContact O-CB 3.3Å; M291-C295 PolarHBondContact O-N 2.88Å
292	V	96.1	Very high	93.6	Very high	0 Å²	0	43.7 Å²	43.7	0%	0	21%	0.211	C	C	.	.	H	α-helix	trans	-62.6	-41.5	174.4	171.5	0	0	0	0	111.2	L228 L260 F263 R264 I267 F288 L289 C295 Q296	L228-V292 HydrophobicContact CD1-CG2 3.68Å; L260-V292 HydrophobicContact CD1-CG1 4.09Å; L260-V292 HydrophobicContact CD2-CG1 4.38Å; L260-V292 HydrophobicContact CG-CG1 4.11Å; F263-V292 HydrophobicContact CD1-CG2 4.36Å; F263-V292 HydrophobicContact CE1-CG2 4.1Å; R264-V292 HydrophobicContact CB-CG1 3.7Å; R264-V292 HydrophobicContact CG-CG1 3.89Å; I267-V292 HydrophobicContact CD1-CG2 4.13Å; F288-V292 HydrophobicContact CD1-CG2 4.31Å; F288-V292 HydrophobicContact CE1-CG2 3.9Å; F288-V292 HydrophobicContact CZ-CG2 3.98Å; F288-V292 WeakPolarHBondContact O-CG2 3.4Å; F288-V292 PolarHBondContact O-N 3.02Å; L289-V292 HydrophobicContact CD1-CB 4.48Å; L289-V292 WeakPolarHBondContact O-CB 3.2Å; L289-V292 PolarHBondContact O-N 3.23Å; L289-V292 VanDerWaalsContact O-N 3.16Å; V292-C295 PolarHBondContact O-N 3.36Å; V292-Q296 PolarHBondContact O-N 2.92Å
293	D	96.2	Very high	93.8	Very high	38 Å²	38	45.2 Å²	45.2	20%	0.203	22%	0.219	C	C	.	.	H	α-helix	trans	-63.6	-44.3	174.5	-92.9	-38.6	0	0	0	112	R264 L289 E290 Q296 R297	R264-D293 IonicContact CZ-OD1 2.77Å; R264-D293 IonicContact CZ-OD2 3.57Å; R264-D293 IonicContact NE-OD1 2.83Å; R264-D293 PolarHBondContact NE-OD1 3.44Å; R264-D293 IonicContact NE-OD2 3.41Å; R264-D293 VanDerWaalsContact NH2-CG 3.33Å; R264-D293 IonicContact NH2-OD1 3.18Å; R264-D293 PolarHBondContact NH2-OD1 3.3Å; R264-D293 IonicContact NH2-OD2 3.82Å; R264-D293 PolarHBondContact NH2-OD2 3.14Å; L289-D293 PolarHBondContact O-N 3.17Å; E290-D293 PolarHBondContact O-N 2.98Å; D293-Q296 PolarHBondContact O-N 3.09Å; D293-R297 WeakPolarHBondContact O-CB 3.49Å; D293-R297 WeakPolarHBondContact O-CG 3.38Å; D293-R297 PolarHBondContact O-N 3.34Å
294	S	95.4	Very high	93.8	Very high	10 Å²	10	48.6 Å²	48.6	7%	0.07	23%	0.229	C	C	.	.	H	α-helix	trans	-63.7	-42.2	174.7	-71.5	0	0	0	0	112.3	S171 E290 M291 Q296 R297 L298	S171-S294 WeakPolarHBondContact CA-OG 3.45Å; E290-S294 PolarHBondContact O-N 2.87Å; E290-S294 PolarHBondContact O-OG 3.44Å; M291-S294 PolarHBondContact O-N 3.3Å; S294-Q296 PolarHBondContact O-N 2.93Å; S294-R297 PolarHBondContact O-N 2.96Å; S294-R297 PolarHBondContact OG-NH2 2.65Å; S294-L298 WeakPolarHBondContact O-CB 3.23Å; S294-L298 PolarHBondContact O-N 3.39Å
295	C	95.6	Very high	93.7	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	23%	0.227	C	C	.	.	H	α-helix	trans	-58.8	-46.5	172.5	-175.3	0	0	0	0	111.3	C232 L260 M291 V292 R297 L298 M299	C232-C295 VanDerWaalsContact SG-SG 3.68Å; L260-C295 HydrophobicContact CD2-CB 3.98Å; M291-C295 WeakPolarHBondContact O-CB 3.3Å; M291-C295 PolarHBondContact O-N 2.88Å; V292-C295 PolarHBondContact O-N 3.36Å; C295-R297 PolarHBondContact O-N 3.3Å; C295-L298 PolarHBondContact O-N 3.45Å; C295-M299 VanDerWaalsContact O-CG 3.3Å; C295-M299 WeakPolarHBondContact O-CG 3.24Å; C295-M299 PolarHBondContact O-N 3.24Å
296	Q	94.6	Very high	93.4	Very high	40 Å²	40	48.9 Å²	48.9	19%	0.187	23%	0.23	C	C	.	.	H	α-helix	trans	-66.9	-37.4	179.3	-162.8	174.6	-3.2	0	0	112.3	L260 V292 D293 S294 N300	L260-Q296 HydrophobicContact CD2-CB 3.92Å; V292-Q296 PolarHBondContact O-N 2.92Å; D293-Q296 PolarHBondContact O-N 3.09Å; S294-Q296 PolarHBondContact O-N 2.93Å; Q296-N300 PolarHBondContact O-N 2.86Å; Q296-N300 VanDerWaalsContact O-N 3.14Å; Q296-N300 PolarHBondContact O-ND2 3.49Å
297	R	95.1	Very high	92.6	Very high	121 Å²	121	48.7 Å²	48.7	46%	0.457	23%	0.229	S	C	.	.	H	α-helix	trans	-61.2	-47.5	172.1	-75.3	-177.5	-70	-114.8	-0.2	111.6	D293 S294 C295 N300 A301	D293-R297 WeakPolarHBondContact O-CB 3.49Å; D293-R297 WeakPolarHBondContact O-CG 3.38Å; D293-R297 PolarHBondContact O-N 3.34Å; S294-R297 PolarHBondContact O-N 2.96Å; S294-R297 PolarHBondContact OG-NH2 2.65Å; C295-R297 PolarHBondContact O-N 3.3Å; R297-N300 PolarHBondContact O-N 3.48Å; R297-A301 PolarHBondContact O-N 3.46Å
298	L	95.2	Very high	91.1	Very high	0 Å²	0	45 Å²	45	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-59.8	-48.4	178.8	-173.1	75.3	0	0	0	111.8	F170 P173 V176 C232 I236 S294 C295 N300 A301 C302	F170-L298 HydrophobicContact CB-CD2 4.07Å; F170-L298 HydrophobicContact CD1-CD1 4.27Å; F170-L298 HydrophobicContact CD1-CD2 3.53Å; F170-L298 HydrophobicContact CE1-CD2 4.23Å; F170-L298 HydrophobicContact CG-CD2 3.94Å; P173-L298 HydrophobicContact CB-CD1 4.07Å; P173-L298 HydrophobicContact CG-CD1 4.28Å; V176-L298 HydrophobicContact CB-CD1 4.34Å; V176-L298 HydrophobicContact CG1-CD1 4.34Å; V176-L298 HydrophobicContact CG2-CD1 4.33Å; C232-L298 HydrophobicContact CB-CD2 3.57Å; I236-L298 HydrophobicContact CG2-CD1 3.93Å; I236-L298 HydrophobicContact CG2-CD2 3.79Å; I236-L298 HydrophobicContact CG2-CG 4.09Å; S294-L298 WeakPolarHBondContact O-CB 3.23Å; S294-L298 PolarHBondContact O-N 3.39Å; C295-L298 PolarHBondContact O-N 3.45Å; L298-N300 PolarHBondContact O-N 2.86Å; L298-A301 PolarHBondContact O-N 2.82Å; L298-C302 WeakPolarHBondContact O-CB 3.34Å; L298-C302 PolarHBondContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 3.32Å
299	M	93	Very high	89.3	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-64.4	-38.6	-179.8	-64.4	-170.4	-57.5	0	0	112.7	V231 V235 L245 L255 L256 L260 C295 C302 N303	V231-M299 HydrophobicContact CG1-SD 4.41Å; V235-M299 HydrophobicContact CG1-CB 4.47Å; V235-M299 HydrophobicContact CG1-CG 4.06Å; V235-M299 HydrophobicContact CG2-CG 4.48Å; L245-M299 HydrophobicContact CD1-CB 4.37Å; L245-M299 HydrophobicContact CD2-CB 4.12Å; L245-M299 HydrophobicContact CD2-CG 3.95Å; L245-M299 HydrophobicContact CD2-SD 3.6Å; L255-M299 HydrophobicContact CB-SD 4.48Å; L255-M299 HydrophobicContact CD2-CE 4.34Å; L255-M299 HydrophobicContact CD2-SD 3.41Å; L255-M299 WeakPolarHBondContact CD2-SD 3.11Å; L255-M299 HydrophobicContact CG-CE 3.99Å; L255-M299 HydrophobicContact CG-SD 3.6Å; L255-M299 VanDerWaalsContact CG-SD 3.6Å; L256-M299 HydrophobicContact CD1-CB 3.9Å; L256-M299 HydrophobicContact CD1-CE 4.44Å; L260-M299 HydrophobicContact CB-CE 3.92Å; L260-M299 HydrophobicContact CD2-CE 3.35Å; L260-M299 HydrophobicContact CG-CE 4.27Å; C295-M299 VanDerWaalsContact O-CG 3.3Å; C295-M299 WeakPolarHBondContact O-CG 3.24Å; C295-M299 PolarHBondContact O-N 3.24Å; M299-C302 PolarHBondContact O-N 2.98Å; M299-N303 VanDerWaalsContact O-CB 3.3Å; M299-N303 WeakPolarHBondContact O-CB 3.22Å; M299-N303 PolarHBondContact O-N 2.84Å
300	N	92.3	Very high	87.3	Confident	84 Å²	84	50.9 Å²	50.9	45%	0.449	26%	0.256	S	S	.	.	H	α-helix	trans	-60.9	-44.5	172.6	-84.1	-66.6	0	0	0	111.7	Q296 R297 L298 N303 K304	Q296-N300 PolarHBondContact O-N 2.86Å; Q296-N300 VanDerWaalsContact O-N 3.14Å; Q296-N300 PolarHBondContact O-ND2 3.49Å; R297-N300 PolarHBondContact O-N 3.48Å; L298-N300 PolarHBondContact O-N 2.86Å; N300-N303 PolarHBondContact O-N 3.3Å; N300-K304 WeakPolarHBondContact O-CB 3.31Å; N300-K304 PolarHBondContact O-N 3.12Å
301	A	93.1	Very high	85.2	Confident	20 Å²	20	48.4 Å²	48.4	17%	0.165	26%	0.256	C	S	.	.	H	α-helix	trans	-65.1	-43.8	178.2	0	0	0	0	0	111.9	P173 F177 R297 L298 K304 R305	P173-A301 HydrophobicContact CB-CB 3.6Å; P173-A301 HydrophobicContact CG-CB 4.05Å; F177-A301 HydrophobicContact CE2-CB 4.02Å; F177-A301 HydrophobicContact CZ-CB 4.11Å; R297-A301 PolarHBondContact O-N 3.46Å; L298-A301 PolarHBondContact O-N 2.82Å; A301-K304 PolarHBondContact O-N 3.1Å; A301-R305 VanDerWaalsContact O-CB 3.25Å; A301-R305 WeakPolarHBondContact O-CB 3.18Å; A301-R305 PolarHBondContact O-N 3.42Å
302	C	92	Very high	82.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-61.6	-46.9	175.7	-64.7	0	0	0	0	111.1	V235 M241 L298 M299 K304 R305 Y306	V235-C302 HydrophobicContact CG1-CB 3.71Å; M241-C302 HydrophobicContact SD-CB 4.37Å; L298-C302 WeakPolarHBondContact O-CB 3.34Å; L298-C302 PolarHBondContact O-N 3.14Å; L298-C302 PolarHBondContact O-SG 3.32Å; M299-C302 PolarHBondContact O-N 2.98Å; C302-K304 PolarHBondContact O-N 3.11Å; C302-R305 PolarHBondContact O-N 2.79Å; C302-Y306 HydrophobicContact CB-CD2 3.91Å; C302-Y306 HydrophobicContact CB-CE2 3.87Å; C302-Y306 WeakPolarHBondContact O-CB 3.46Å; C302-Y306 WeakPolarHBondContact O-CD2 3.47Å; C302-Y306 PolarHBondContact O-N 3.15Å
303	N	88.9	Confident	80	Confident	44 Å²	44	57.6 Å²	57.6	24%	0.235	30%	0.302	C	S	.	.	H	α-helix	trans	-58.5	-47.8	176.7	-170.6	77.8	0	0	0	111.7	L245 L256 M299 N300 R305 V307	L245-N303 HydrophobicContact CD1-CB 4.21Å; L256-N303 HydrophobicContact CD2-CB 3.56Å; M299-N303 VanDerWaalsContact O-CB 3.3Å; M299-N303 WeakPolarHBondContact O-CB 3.22Å; M299-N303 PolarHBondContact O-N 2.84Å; N300-N303 PolarHBondContact O-N 3.3Å; N303-R305 VanDerWaalsContact C-N 3.34Å; N303-R305 PolarHBondContact O-N 3.37Å; N303-V307 VanDerWaalsContact O-CB 3.28Å; N303-V307 WeakPolarHBondContact O-CB 3.34Å; N303-V307 VanDerWaalsContact O-CG2 3.32Å; N303-V307 WeakPolarHBondContact O-CG2 3.48Å; N303-V307 PolarHBondContact O-N 2.93Å; N303-V307 WeakPolarHBondContact OD1-CG2 3.46Å
304	K	89.2	Confident	77.3	Confident	181 Å²	181	62.2 Å²	62.2	79%	0.787	33%	0.325	S	S	*	.	H	α-helix	trans	-60.7	-40.7	175.7	-174.5	-176.6	177.6	-173.5	0	112.4	N300 A301 C302	N300-K304 WeakPolarHBondContact O-CB 3.31Å; N300-K304 PolarHBondContact O-N 3.12Å; A301-K304 PolarHBondContact O-N 3.1Å; C302-K304 PolarHBondContact O-N 3.11Å
305	R	88.6	Confident	74.6	Confident	109 Å²	109	65.7 Å²	65.7	41%	0.411	36%	0.355	S	S	.	.	H	α-helix	trans	-69.4	-49.6	-179.2	-172.9	176.4	-174.8	102.1	-0.6	111.9	E174 F177 A301 C302 N303 L309	E174-R305 IonicContact OE2-NH1 2.74Å; F177-R305 HydrophobicContact CZ-CB 4.4Å; A301-R305 VanDerWaalsContact O-CB 3.25Å; A301-R305 WeakPolarHBondContact O-CB 3.18Å; A301-R305 PolarHBondContact O-N 3.42Å; C302-R305 PolarHBondContact O-N 2.79Å; N303-R305 VanDerWaalsContact C-N 3.34Å; N303-R305 PolarHBondContact O-N 3.37Å; R305-L309 WeakPolarHBondContact O-CD1 3.33Å; R305-L309 WeakPolarHBondContact O-CG 3.32Å
306	Y	86	Confident	71.5	Confident	15 Å²	15	70.9 Å²	70.9	6%	0.059	39%	0.386	C	S	.	.	H	α-helix	trans	-93.6	-32.2	-167.2	-57.5	-57.3	0	0	0	114.3	F177 I236 P238 M241 C302 G308 L309 T310	F177-Y306 HydrophobicContact CE1-CE2 4.16Å; F177-Y306 WeakPolarHBondContact CE1-OH 3.39Å; I236-Y306 PolarHBondContact O-OH 2.8Å; P238-Y306 HydrophobicContact CB-CD1 3.68Å; P238-Y306 HydrophobicContact CB-CE1 3.82Å; P238-Y306 HydrophobicContact CB-CG 4.2Å; P238-Y306 HydrophobicContact CG-CD1 4.46Å; P238-Y306 HydrophobicContact CG-CE1 4.13Å; M241-Y306 HydrophobicContact SD-CD2 3.74Å; M241-Y306 HydrophobicContact SD-CG 4.23Å; C302-Y306 HydrophobicContact CB-CD2 3.91Å; C302-Y306 HydrophobicContact CB-CE2 3.87Å; C302-Y306 WeakPolarHBondContact O-CB 3.46Å; C302-Y306 WeakPolarHBondContact O-CD2 3.47Å; C302-Y306 PolarHBondContact O-N 3.15Å; Y306-G308 VanDerWaalsContact C-N 3.3Å; Y306-G308 PolarHBondContact O-N 3.27Å; Y306-L309 HydrophobicContact CD1-CD1 4.06Å; Y306-L309 WeakPolarHBondContact O-CA 3.33Å; Y306-L309 WeakPolarHBondContact O-CB 3.49Å; Y306-L309 PolarHBondContact O-N 3.01Å; Y306-T310 PolarHBondContact O-N 2.84Å; Y306-T310 PolarHBondContact O-OG1 3.31Å
307	V	77.4	Confident	68.3	Low	45 Å²	45	73.9 Å²	73.9	27%	0.273	41%	0.407	S	S	.	.	H	α-helix	trans	-67	-34.9	174.6	-180	0	0	0	0	110.9	M241 P247 N303 L309 T310 A311	M241-V307 HydrophobicContact CE-CG2 4.03Å; P247-V307 HydrophobicContact CB-CG2 4.01Å; P247-V307 HydrophobicContact CG-CG2 4.14Å; N303-V307 VanDerWaalsContact O-CB 3.28Å; N303-V307 WeakPolarHBondContact O-CB 3.34Å; N303-V307 VanDerWaalsContact O-CG2 3.32Å; N303-V307 WeakPolarHBondContact O-CG2 3.48Å; N303-V307 PolarHBondContact O-N 2.93Å; N303-V307 WeakPolarHBondContact OD1-CG2 3.46Å; V307-L309 PolarHBondContact O-N 3.19Å; V307-T310 WeakPolarHBondContact CA-OG1 3.42Å; V307-T310 PolarHBondContact O-OG1 3.22Å; V307-A311 WeakPolarHBondContact O-CB 3.43Å; V307-A311 PolarHBondContact O-N 2.73Å
308	G	63.5	Low	65.1	Low	41 Å²	41	74.1 Å²	74.1	42%	0.423	43%	0.425	S	S	.	.	H	α-helix	trans	-68.4	-13.3	170.2	0	0	0	0	0	114.8	Y306	Y306-G308 VanDerWaalsContact C-N 3.3Å; Y306-G308 PolarHBondContact O-N 3.27Å
309	L	57.2	Low	61.8	Low	89 Å²	89	84.1 Å²	84.1	47%	0.466	46%	0.464	S	S	.	.	H	α-helix	trans	-95.4	-45.7	174.7	-74.1	167	0	0	0	111.7	R305 Y306 V307 A311 K312 T313	R305-L309 WeakPolarHBondContact O-CD1 3.33Å; R305-L309 WeakPolarHBondContact O-CG 3.32Å; Y306-L309 HydrophobicContact CD1-CD1 4.06Å; Y306-L309 WeakPolarHBondContact O-CA 3.33Å; Y306-L309 WeakPolarHBondContact O-CB 3.49Å; Y306-L309 PolarHBondContact O-N 3.01Å; V307-L309 PolarHBondContact O-N 3.19Å; L309-A311 VanDerWaalsContact C-N 3.29Å; L309-A311 PolarHBondContact O-N 3.18Å; L309-K312 WeakPolarHBondContact O-CA 3.37Å; L309-K312 WeakPolarHBondContact O-CB 3.35Å; L309-K312 PolarHBondContact O-N 2.71Å; L309-T313 PolarHBondContact O-N 3.1Å; L309-T313 PolarHBondContact O-OG1 2.9Å
310	T	54	Low	58.6	Low	58 Å²	58	92.1 Å²	92.1	36%	0.356	50%	0.503	S	S	.	.	H	α-helix	trans	-59.2	-40	177.6	48.7	0	0	0	0	111.9	Y306 V307 K312 T313 I314	Y306-T310 PolarHBondContact O-N 2.84Å; Y306-T310 PolarHBondContact O-OG1 3.31Å; V307-T310 WeakPolarHBondContact CA-OG1 3.42Å; V307-T310 PolarHBondContact O-OG1 3.22Å; T310-K312 PolarHBondContact O-N 2.73Å; T310-T313 PolarHBondContact O-N 2.9Å; T310-I314 WeakPolarHBondContact O-CG1 3.31Å; T310-I314 PolarHBondContact O-N 2.72Å
311	A	50.5	Low	55.4	Low	69 Å²	69	94.1 Å²	94.1	57%	0.57	51%	0.514	S	S	*	.	H	α-helix	trans	-59.9	-26.4	173.1	0	0	0	0	0	113.7	V307 L309	V307-A311 WeakPolarHBondContact O-CB 3.43Å; V307-A311 PolarHBondContact O-N 2.73Å; L309-A311 VanDerWaalsContact C-N 3.29Å; L309-A311 PolarHBondContact O-N 3.18Å
312	K	43.5	Very low	52.4	Low	155 Å²	155	98.9 Å²	98.9	67%	0.674	54%	0.541	S	S	*	.	H	α-helix	trans	-87.5	-38.9	174.6	-72	-175.8	175.2	-176.8	0	112.7	L309 T310 I314 A315	L309-K312 WeakPolarHBondContact O-CA 3.37Å; L309-K312 WeakPolarHBondContact O-CB 3.35Å; L309-K312 PolarHBondContact O-N 2.71Å; T310-K312 PolarHBondContact O-N 2.73Å; K312-I314 VanDerWaalsContact C-N 3.29Å; K312-I314 PolarHBondContact O-N 2.92Å; K312-A315 WeakPolarHBondContact O-CB 3.29Å; K312-A315 PolarHBondContact O-N 2.93Å
313	T	38.9	Very low	49.3	Very low	88 Å²	88	105.6 Å²	105.6	54%	0.54	58%	0.577	S	S	.	*	H	α-helix	trans	-63	-35.2	179.9	-53.7	0	0	0	0	112.3	L309 T310 A315 T316	L309-T313 PolarHBondContact O-N 3.1Å; L309-T313 PolarHBondContact O-OG1 2.9Å; T310-T313 PolarHBondContact O-N 2.9Å; T313-A315 PolarHBondContact O-N 3.02Å; T313-T316 PolarHBondContact O-N 3.41Å; T313-T316 PolarHBondContact O-OG1 3.39Å; T313-T316 VanDerWaalsContact O-OG1 3.05Å
314	I	40	Very low	46.4	Very low	136 Å²	136	108 Å²	108	70%	0.697	60%	0.597	S	S	*	*	G	3₁₀ helix	trans	-62.9	-27.8	174.9	-68	164.8	0	0	0	111.9	T310 K312 T316	T310-I314 WeakPolarHBondContact O-CG1 3.31Å; T310-I314 PolarHBondContact O-N 2.72Å; K312-I314 VanDerWaalsContact C-N 3.29Å; K312-I314 PolarHBondContact O-N 2.92Å; I314-T316 VanDerWaalsContact C-N 3.33Å; I314-T316 PolarHBondContact O-N 3.19Å
315	A	38.1	Very low	43.6	Very low	83 Å²	83	105.3 Å²	105.3	69%	0.686	60%	0.596	S	S	*	*	G	3₁₀ helix	trans	-81.8	-4.9	-179.7	0	0	0	0	0	114.5	K312 T313	K312-A315 WeakPolarHBondContact O-CB 3.29Å; K312-A315 PolarHBondContact O-N 2.93Å; T313-A315 PolarHBondContact O-N 3.02Å
316	T	31.4	Very low	40.8	Very low	111 Å²	111	107.1 Å²	107.1	68%	0.681	61%	0.612	S	S	*	*	G	3₁₀ helix	trans	-115.5	11.8	-173.4	49	0	0	0	0	115	T313 I314 P318	T313-T316 PolarHBondContact O-N 3.41Å; T313-T316 PolarHBondContact O-OG1 3.39Å; T313-T316 VanDerWaalsContact O-OG1 3.05Å; I314-T316 VanDerWaalsContact C-N 3.33Å; I314-T316 PolarHBondContact O-N 3.19Å; T316-P318 WeakPolarHBondContact O-CD 3.28Å
317	T	26.7	Very low	38	Very low	102 Å²	102	112 Å²	112	63%	0.626	65%	0.649	S	S	*	*			trans	-94.1	110	176.8	-38.2	0	0	0	0	110.8	Y319	T317-Y319 PolarHBondContact O-N 3.28Å
318	P	26.6	Very low	35.7	Very low	126 Å²	126	114.8 Å²	114.8	82%	0.818	68%	0.676	S	S	*	*			trans	-79.9	80.2	179.1	33	-35.1	0	0	0	110.9	T316	T316-P318 WeakPolarHBondContact O-CD 3.28Å
319	Y	26.6	Very low	34.2	Very low	211 Å²	211	122.3 Å²	122.3	83%	0.827	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-79.4	140.1	171.9	-158.9	-92.2	0	0	0	111	T317	T317-Y319 PolarHBondContact O-N 3.28Å
320	M	26.8	Very low	32.9	Very low	167 Å²	167	127 Å²	127	82%	0.823	71%	0.714	S	S	*	*	P	Polyproline II helix	trans	-76.7	151.9	-174	-73.7	-165.1	164.9	0	0	113.7	V322	M320-V322 PolarHBondContact O-N 3.42Å
321	D	24.4	Very low	31.7	Very low	127 Å²	127	132.8 Å²	132.8	68%	0.679	73%	0.734	S	S	*	*	P	Polyproline II helix	trans	-63.7	125.4	174.4	178.5	4.4	0	0	0	111.8	N323	D321-N323 VanDerWaalsContact CG-ND2 3.26Å; D321-N323 PolarHBondContact OD1-N 2.58Å; D321-N323 VanDerWaalsContact OD1-N 3.11Å; D321-N323 PolarHBondContact OD1-ND2 2.86Å; D321-N323 PolarHBondContact OD2-ND2 3Å
322	V	29.5	Very low	30.6	Very low	119 Å²	119	135.6 Å²	135.6	72%	0.721	74%	0.744	S	S	*	*			trans	-134.5	90	161.5	-172.5	0	0	0	0	109.1	M320 S324	M320-V322 PolarHBondContact O-N 3.42Å; V322-S324 PolarHBondContact O-N 2.8Å; V322-S324 VanDerWaalsContact O-N 3.14Å
323	N	26.5	Very low	30	Very low	142 Å²	142	133.3 Å²	133.3	76%	0.759	75%	0.748	S	S	*	*			trans	-61.2	104.7	179	-94.5	-85.7	0	0	0	113.8	D321	D321-N323 VanDerWaalsContact CG-ND2 3.26Å; D321-N323 PolarHBondContact OD1-N 2.58Å; D321-N323 VanDerWaalsContact OD1-N 3.11Å; D321-N323 PolarHBondContact OD1-ND2 2.86Å; D321-N323 PolarHBondContact OD2-ND2 3Å
324	S	29.7	Very low	29.6	Very low	93 Å²	93	140.9 Å²	140.9	65%	0.65	77%	0.766	S	S	*	*			trans	-166.5	128.5	162.4	59.9	0	0	0	0	111.5	V322	V322-S324 PolarHBondContact O-N 2.8Å; V322-S324 VanDerWaalsContact O-N 3.14Å
325	T	29.2	Very low	29.4	Very low	125 Å²	125	139.1 Å²	139.1	77%	0.767	76%	0.764	S	S	*	*			cis	-161.5	163	-13.1	-14.9	0	0	0	0	110.5
326	I	31.2	Very low	28.8	Very low	148 Å²	148	142.7 Å²	142.7	76%	0.759	77%	0.771	S	S	*	*			trans	71.3	90.9	156.9	-57.8	160.3	0	0	0	118
327	S	26.1	Very low	28.4	Very low	118 Å²	118	142.5 Å²	142.5	83%	0.825	77%	0.772	S	S	*	*				42	115.9	123.1	-58.3	0	0	0	0	122.7
328	A	30.3	Very low	28.5	Very low	103 Å²	103	145 Å²	145	85%	0.851	78%	0.782	S	S	*	*				-146.7	130.1	124.3	0	0	0	0	0	113.8
329	K	30.3	Very low	28.3	Very low	199 Å²	199	147.3 Å²	147.3	87%	0.865	78%	0.782	S	S	*	*			trans	-44.2	155.6	173	-60.9	142.5	-178.4	171.5	0	113.2
330	K	30	Very low	28.3	Very low	188 Å²	188	142.3 Å²	142.3	82%	0.817	78%	0.778	S	S	*	*			cis	-170.5	138	32.1	-146.1	175	-175.1	-175.5	0	113
331	K	30	Very low	28.2	Very low	179 Å²	179	143.5 Å²	143.5	78%	0.778	78%	0.781	S	S	*	*			trans	41	112.1	145.1	-71.4	-166.2	173.8	-166.2	0	120.7
332	T	27.4	Very low	28.5	Very low	128 Å²	128	142.4 Å²	142.4	79%	0.785	78%	0.782	S	S	*	*				61.1	136.2	87.2	63.7	0	0	0	0	115.3
333	S	31.4	Very low	28.3	Very low	107 Å²	107	146.5 Å²	146.5	75%	0.748	79%	0.793	S	S	*	*			cis	-160.5	129.7	35	47.1	0	0	0	0	112.1
334	R	29.8	Very low	28.1	Very low	246 Å²	246	143.7 Å²	143.7	93%	0.928	79%	0.789	S	S	*	*				85.9	152.3	92.4	-95	-157.6	171	-171.5	-2.3	116.2
335	P	35.4	Very low	27.8	Very low	100 Å²	100	146.9 Å²	146.9	65%	0.649	80%	0.799	S	S	*	*				-143.4	-159.2	-125.8	37.3	-12.2	0	0	0	116.3
336	L	25.7	Very low	27.7	Very low	158 Å²	158	150 Å²	150	83%	0.827	81%	0.805	S	S	*	*			trans	79.3	144.1	163.1	-61.6	159.4	0	0	0	116.5
337	C	23.2	Very low	27.5	Very low	106 Å²	106	150.8 Å²	150.8	72%	0.716	81%	0.809	S	S	*	*			cis	-109.8	-132.8	-3.3	-66.1	0	0	0	0	110.9
338	D	28.1	Very low	27.6	Very low	155 Å²	155	151.5 Å²	151.5	83%	0.829	81%	0.808	S	S	*	*			cis	-158.9	-176.8	-1.8	-133.1	-41.8	0	0	0	112.6
339	E	23.1	Very low	27.4	Very low	174 Å²	174	152.4 Å²	152.4	81%	0.813	80%	0.803	S	S	*	*			trans	-91.5	164.5	-165.4	-58.7	-165.1	135.1	0	0	119.6
340	S	26.6	Very low	27.3	Very low	107 Å²	107	150.8 Å²	150.8	75%	0.748	81%	0.805	S	S	*	*			trans	101.9	104	141.1	72.6	0	0	0	0	122.8
341	E	24.3	Very low	27.1	Very low	191 Å²	191	147 Å²	147	89%	0.893	80%	0.801	S	S	*	*			trans	69.1	156.5	137.1	-66.7	-119.5	127.9	0	0	122.3
342	P	31.4	Very low	27.1	Very low	105 Å²	105	145.1 Å²	145.1	68%	0.682	80%	0.8	S	S	*	*			trans	-115	153.8	-150.1	40.4	-31.5	0	0	0	116.6
343	Q	24.9	Very low	27.2	Very low	204 Å²	204	143.5 Å²	143.5	95%	0.953	80%	0.8	S	S	*	*			trans	-152.5	172.8	150.5	-123.7	158.4	79.7	0	0	112.4
344	A	22.8	Very low	27.2	Very low	83 Å²	83	145.5 Å²	145.5	69%	0.686	80%	0.797	S	S	*	*			trans	-100.3	164.3	-157.1	0	0	0	0	0	115.2
345	N	23.7	Very low	27.4	Very low	161 Å²	161	139 Å²	139	86%	0.861	79%	0.787	S	S	*	*			trans	64.6	103.2	168.6	-58	-19.3	0	0	0	117
346	E	26.3	Very low	28	Very low	191 Å²	191	141.1 Å²	141.1	89%	0.893	79%	0.791	S	S	*	*				-146.8	162.9	127	-135.3	169.4	-149.3	0	0	112.3
347	I	27.4	Very low	29.4	Very low	164 Å²	164	139.1 Å²	139.1	84%	0.841	79%	0.786	S	S	*	*			trans	-89.5	109.2	-170.3	-63.1	161.9	0	0	0	109
348	T	28.4	Very low	31.4	Very low	132 Å²	132	139.7 Å²	139.7	81%	0.81	79%	0.788	S	S	*	*			trans	-99.9	128.9	169.4	44	0	0	0	0	111	D350	T348-D350 PolarHBondContact O-N 2.76Å
349	T	25.5	Very low	33.7	Very low	122 Å²	122	135.7 Å²	135.7	75%	0.748	77%	0.766	S	S	*	*			trans	-76.1	110	176.7	49.9	0	0	0	0	110	S351	T349-S351 PolarHBondContact O-N 2.76Å
350	D	27.6	Very low	36.7	Very low	166 Å²	166	130.3 Å²	130.3	89%	0.888	75%	0.748	S	S	*	*			trans	-67.3	104.4	179.4	-149.6	-2.6	0	0	0	109.9	T348	T348-D350 PolarHBondContact O-N 2.76Å
351	S	26.7	Very low	39.5	Very low	107 Å²	107	129.8 Å²	129.8	75%	0.748	74%	0.742	S	S	*	*			trans	-114	27.8	-164.6	60.6	0	0	0	0	113.7	T349	T349-S351 PolarHBondContact O-N 2.76Å
352	D	28.5	Very low	42.5	Very low	141 Å²	141	122.9 Å²	122.9	75%	0.754	72%	0.717	S	S	*	*			trans	-103.3	56.1	175.3	-124.7	-36.4	0	0	0	112	Q354	D352-Q354 VanDerWaalsContact C-N 3.27Å; D352-Q354 PolarHBondContact O-N 3.02Å
353	A	30.9	Very low	45.2	Very low	94 Å²	94	120 Å²	120	78%	0.777	70%	0.699	S	S	*	*			trans	-71.7	81.2	174.8	0	0	0	0	0	111
354	Q	31.5	Very low	48.4	Very low	148 Å²	148	111 Å²	111	69%	0.692	66%	0.659	S	S	*	*			trans	-39.3	132.8	161.6	-77.3	-78.1	-36.6	0	0	109.9	D352 I356	D352-Q354 VanDerWaalsContact C-N 3.27Å; D352-Q354 PolarHBondContact O-N 3.02Å; Q354-I356 PolarHBondContact O-N 3.14Å
355	P	33.2	Very low	51.7	Low	110 Å²	110	107.1 Å²	107.1	71%	0.714	63%	0.626	S	S	*	*			trans	-62.1	105.8	-175.3	25.2	-33.6	0	0	0	109.4	T357	P355-T357 PolarHBondContact O-N 2.78Å
356	I	48	Very low	55	Low	145 Å²	145	104.9 Å²	104.9	74%	0.744	61%	0.607	S	S	*	*			trans	-65.6	99.6	-172.5	-56.5	175.8	0	0	0	108.4	Q354	Q354-I356 PolarHBondContact O-N 3.14Å
357	T	54.7	Low	58.1	Low	116 Å²	116	103 Å²	103	71%	0.712	59%	0.591	S	S	*	*	P	Polyproline II helix	trans	-49	126	175.9	-47.2	0	0	0	0	109	P355 L359	P355-T357 PolarHBondContact O-N 2.78Å; T357-L359 PolarHBondContact O-N 2.94Å; T357-L359 VanDerWaalsContact O-N 3.09Å
358	P	67	Low	61.2	Low	118 Å²	118	95.6 Å²	95.6	77%	0.766	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-57.2	122.1	-176.6	21.4	-32.2	0	0	0	109.6	S360	P358-S360 PolarHBondContact O-N 3.02Å
359	L	74.7	Confident	64.3	Low	70 Å²	70	89.3 Å²	89.3	37%	0.366	52%	0.516	S	S	.	.	P	Polyproline II helix	trans	-58.6	129.2	-178.8	-69	169.2	0	0	0	109.1	T357 V364	T357-L359 PolarHBondContact O-N 2.94Å; T357-L359 VanDerWaalsContact O-N 3.09Å; L359-V364 HydrophobicContact CB-CG2 3.71Å
360	S	86.3	Confident	67.5	Low	61 Å²	61	86.2 Å²	86.2	43%	0.427	49%	0.492	S	S	.	.	P	Polyproline II helix	trans	-59.2	150.8	177	62.1	0	0	0	0	111.1	P358 A362 S363 V364	P358-S360 PolarHBondContact O-N 3.02Å; S360-A362 VanDerWaalsContact C-N 3.28Å; S360-A362 PolarHBondContact O-N 3.15Å; S360-S363 WeakPolarHBondContact O-CA 3.24Å; S360-S363 VanDerWaalsContact O-CB 3.29Å; S360-S363 WeakPolarHBondContact O-CB 3.43Å; S360-S363 PolarHBondContact O-N 2.85Å; S360-S363 PolarHBondContact OG-N 3.06Å; S360-S363 PolarHBondContact OG-OG 3.26Å; S360-V364 PolarHBondContact O-N 2.94Å
361	P	85.7	Confident	70.5	Confident	97 Å²	97	82.7 Å²	82.7	63%	0.63	48%	0.481	S	S	*	.	H	α-helix	trans	-50.4	-46.2	-180	-30.5	36.9	0	0	0	113	S363 V364 Y365	P361-S363 VanDerWaalsContact C-N 3.31Å; P361-S363 PolarHBondContact O-N 2.84Å; P361-V364 PolarHBondContact O-N 3.48Å; P361-V364 VanDerWaalsContact O-N 3.14Å; P361-Y365 WeakPolarHBondContact O-CB 3.26Å; P361-Y365 PolarHBondContact O-N 3.36Å
362	A	88.4	Confident	73.8	Confident	45 Å²	45	78.2 Å²	78.2	37%	0.372	45%	0.448	S	S	.	.	H	α-helix	trans	-58.5	-34.9	173.2	0	0	0	0	0	114.3	S360 Y366 E428	S360-A362 VanDerWaalsContact C-N 3.28Å; S360-A362 PolarHBondContact O-N 3.15Å; A362-Y366 WeakPolarHBondContact O-CB 3.49Å; A362-Y366 PolarHBondContact O-N 2.87Å; A362-E428 WeakPolarHBondContact CA-OE2 3.12Å; A362-E428 HydrophobicContact CB-CB 4.21Å; A362-E428 PolarHBondContact N-OE2 3.06Å; A362-E428 VanDerWaalsContact N-OE2 3.11Å
363	S	88	Confident	76.9	Confident	44 Å²	44	71.6 Å²	71.6	31%	0.308	41%	0.413	S	S	.	.	H	α-helix	trans	-71.3	-38.4	174.8	-57.4	0	0	0	0	112.5	S360 P361 R367	S360-S363 WeakPolarHBondContact O-CA 3.24Å; S360-S363 VanDerWaalsContact O-CB 3.29Å; S360-S363 WeakPolarHBondContact O-CB 3.43Å; S360-S363 PolarHBondContact O-N 2.85Å; S360-S363 PolarHBondContact OG-N 3.06Å; S360-S363 PolarHBondContact OG-OG 3.26Å; P361-S363 VanDerWaalsContact C-N 3.31Å; P361-S363 PolarHBondContact O-N 2.84Å; S363-R367 WeakPolarHBondContact O-CB 3.25Å; S363-R367 VanDerWaalsContact O-CG 3.25Å; S363-R367 WeakPolarHBondContact O-CG 3.38Å; S363-R367 PolarHBondContact O-N 2.84Å; S363-R367 VanDerWaalsContact O-N 3.14Å
364	V	90.4	Very high	79.9	Confident	16 Å²	16	69.6 Å²	69.6	10%	0.097	39%	0.388	C	S	.	.	H	α-helix	trans	-65.7	-47.3	174.3	178.1	0	0	0	0	109.6	L359 S360 P361 R367 A368 L595 L665 T669	L359-V364 HydrophobicContact CB-CG2 3.71Å; S360-V364 PolarHBondContact O-N 2.94Å; P361-V364 PolarHBondContact O-N 3.48Å; P361-V364 VanDerWaalsContact O-N 3.14Å; V364-R367 PolarHBondContact O-N 3.44Å; V364-A368 WeakPolarHBondContact O-CB 3.23Å; V364-A368 PolarHBondContact O-N 3.31Å; V364-L595 HydrophobicContact CG1-CD2 4.01Å; V364-L665 HydrophobicContact CG1-CD2 4.11Å; V364-L665 HydrophobicContact CG1-CG 4.27Å; V364-L665 WeakPolarHBondContact O-CD2 3.33Å; V364-T669 HydrophobicContact CG1-CG2 4.24Å
365	Y	93.6	Very high	82.8	Confident	2 Å²	2	64.7 Å²	64.7	1%	0.008	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-52	176.6	-178.3	-81.4	0	0	0	112	P361 R367 A368 M369 L426 S427 E428 S431 H592 L595 K596	P361-Y365 WeakPolarHBondContact O-CB 3.26Å; P361-Y365 PolarHBondContact O-N 3.36Å; Y365-R367 VanDerWaalsContact C-N 3.31Å; Y365-R367 PolarHBondContact O-N 3.17Å; Y365-A368 PolarHBondContact O-N 3.13Å; Y365-M369 HydrophobicContact CD1-CG 4.11Å; Y365-M369 HydrophobicContact CD2-CG 4.12Å; Y365-M369 HydrophobicContact CE1-CB 4.23Å; Y365-M369 HydrophobicContact CE1-CG 3.84Å; Y365-M369 HydrophobicContact CE2-CG 3.87Å; Y365-M369 HydrophobicContact CG-CG 4.23Å; Y365-M369 VanDerWaalsContact O-CB 3.32Å; Y365-M369 WeakPolarHBondContact O-CB 3.08Å; Y365-M369 VanDerWaalsContact O-CG 3.24Å; Y365-M369 WeakPolarHBondContact O-CG 3.42Å; Y365-M369 PolarHBondContact O-N 3.01Å; Y365-L426 HydrophobicContact CE1-CD1 4.4Å; Y365-S427 VanDerWaalsContact CE1-C 3.49Å; Y365-S427 WeakPolarHBondContact CE1-O 3.2Å; Y365-E428 HydrophobicContact CD1-CB 4.32Å; Y365-E428 HydrophobicContact CD1-CG 4.5Å; Y365-E428 HydrophobicContact CD2-CG 4.14Å; Y365-E428 HydrophobicContact CG-CB 4.26Å; Y365-E428 HydrophobicContact CG-CG 3.96Å; Y365-S431 WeakPolarHBondContact CE1-OG 3.35Å; Y365-S431 PolarHBondContact OH-OG 3.29Å; Y365-H592 AromaticContact CE2-ND1 3.47Å; Y365-H592 WeakPolarHBondContact CE2-ND1 3.35Å; Y365-H592 AromaticContact CZ-ND1 3.62Å; Y365-H592 PolarHBondContact OH-ND1 3.05Å; Y365-L595 HydrophobicContact CD2-CB 4Å; Y365-L595 HydrophobicContact CD2-CD1 4.12Å; Y365-K596 HydrophobicContact CE2-CG 4.28Å
366	Y	92.7	Very high	85.6	Confident	114 Å²	114	62.5 Å²	62.5	45%	0.447	35%	0.351	S	S	.	.	H	α-helix	trans	-56	-46.7	177.8	-180	-83.3	0	0	0	111.5	A362 K370 L426	A362-Y366 WeakPolarHBondContact O-CB 3.49Å; A362-Y366 PolarHBondContact O-N 2.87Å; Y366-K370 HydrophobicContact CE1-CB 4.39Å; Y366-K370 HydrophobicContact CE1-CG 4.44Å; Y366-K370 WeakPolarHBondContact O-CB 3.38Å; Y366-K370 PolarHBondContact O-N 2.73Å; Y366-L426 HydrophobicContact CD2-CB 4.19Å; Y366-L426 HydrophobicContact CD2-CD2 3.64Å; Y366-L426 HydrophobicContact CD2-CG 3.87Å; Y366-L426 HydrophobicContact CE2-CB 4.17Å; Y366-L426 HydrophobicContact CE2-CD2 3.69Å; Y366-L426 HydrophobicContact CE2-CG 4.18Å; Y366-L426 HydrophobicContact CG-CD2 4.15Å
367	R	91	Very high	87.9	Confident	151 Å²	151	59.9 Å²	59.9	57%	0.57	33%	0.332	S	S	*	.	H	α-helix	trans	-67.2	-40.7	-178.1	-74.8	175.3	-175.2	-154.3	2.2	113.2	S363 V364 Y365 L665	S363-R367 WeakPolarHBondContact O-CB 3.25Å; S363-R367 VanDerWaalsContact O-CG 3.25Å; S363-R367 WeakPolarHBondContact O-CG 3.38Å; S363-R367 PolarHBondContact O-N 2.84Å; S363-R367 VanDerWaalsContact O-N 3.14Å; V364-R367 PolarHBondContact O-N 3.44Å; Y365-R367 VanDerWaalsContact C-N 3.31Å; Y365-R367 PolarHBondContact O-N 3.17Å; R367-L665 HydrophobicContact CB-CD2 3.61Å
368	A	92.3	Very high	89.8	Confident	9 Å²	9	58.9 Å²	58.9	7%	0.074	32%	0.315	C	S	.	.	H	α-helix	trans	-66.7	-47.1	176.2	0	0	0	0	0	111.6	V364 Y365 S371 L595 L665 L666	V364-A368 WeakPolarHBondContact O-CB 3.23Å; V364-A368 PolarHBondContact O-N 3.31Å; Y365-A368 PolarHBondContact O-N 3.13Å; A368-S371 PolarHBondContact O-OG 3.12Å; A368-L595 HydrophobicContact CB-CD1 3.78Å; A368-L665 HydrophobicContact CB-CD2 4.09Å; A368-L666 HydrophobicContact CB-CD2 4.11Å
369	M	94.8	Very high	91.1	Very high	0 Å²	0	53.2 Å²	53.2	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-83.3	-19.4	-170.6	-58.4	-52.3	-66	0	0	113.9	Y365 S371 L372 Q373 L426 F433 V588 Q591 H592 L595	Y365-M369 HydrophobicContact CD1-CG 4.11Å; Y365-M369 HydrophobicContact CD2-CG 4.12Å; Y365-M369 HydrophobicContact CE1-CB 4.23Å; Y365-M369 HydrophobicContact CE1-CG 3.84Å; Y365-M369 HydrophobicContact CE2-CG 3.87Å; Y365-M369 HydrophobicContact CG-CG 4.23Å; Y365-M369 VanDerWaalsContact O-CB 3.32Å; Y365-M369 WeakPolarHBondContact O-CB 3.08Å; Y365-M369 VanDerWaalsContact O-CG 3.24Å; Y365-M369 WeakPolarHBondContact O-CG 3.42Å; Y365-M369 PolarHBondContact O-N 3.01Å; M369-S371 PolarHBondContact O-N 3.27Å; M369-L372 HydrophobicContact CE-CD1 4.27Å; M369-L372 PolarHBondContact O-N 3.31Å; M369-L372 HydrophobicContact SD-CD1 4.47Å; M369-Q373 PolarHBondContact O-N 3.46Å; M369-L426 HydrophobicContact CB-CD1 3.84Å; M369-F433 HydrophobicContact CB-CE1 4.07Å; M369-F433 HydrophobicContact CB-CZ 4.08Å; M369-F433 HydrophobicContact CE-CE1 3.63Å; M369-F433 HydrophobicContact CE-CE2 4.31Å; M369-F433 HydrophobicContact CE-CZ 3.4Å; M369-F433 VanDerWaalsContact CE-CZ 3.4Å; M369-F433 HydrophobicContact CG-CZ 4.49Å; M369-V588 HydrophobicContact CE-CB 4.49Å; M369-V588 HydrophobicContact CE-CG1 4.02Å; M369-V588 WeakPolarHBondContact CE-O 3.47Å; M369-Q591 HydrophobicContact CE-CB 4.31Å; M369-Q591 HydrophobicContact SD-CB 3.52Å; M369-Q591 VanDerWaalsContact SD-CB 3.52Å; M369-H592 HydrophobicContact CE-CB 4.05Å; M369-L595 HydrophobicContact CG-CD1 4.38Å; M369-L595 HydrophobicContact SD-CD1 4.15Å
370	K	92.8	Very high	91.8	Very high	56 Å²	56	50.8 Å²	50.8	24%	0.243	27%	0.266	C	S	.	.	H	α-helix	trans	-61.6	-40.2	-174.7	-178.6	61.7	-167.8	176.7	0	113.6	Y366 L372 Q373 E421 L426	Y366-K370 HydrophobicContact CE1-CB 4.39Å; Y366-K370 HydrophobicContact CE1-CG 4.44Å; Y366-K370 WeakPolarHBondContact O-CB 3.38Å; Y366-K370 PolarHBondContact O-N 2.73Å; K370-L372 PolarHBondContact O-N 3.23Å; K370-Q373 VanDerWaalsContact CD-OE1 3.27Å; K370-Q373 PolarHBondContact O-N 3.04Å; K370-E421 PolarHBondContact NZ-O 2.99Å; K370-L426 VanDerWaalsContact CA-CD2 3.49Å; K370-L426 HydrophobicContact CB-CD2 3.59Å; K370-L426 HydrophobicContact CD-CD2 3.58Å; K370-L426 HydrophobicContact CG-CD2 4.17Å
371	S	90.3	Very high	91.9	Very high	92 Å²	92	49.8 Å²	49.8	64%	0.643	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.7	-13.6	177.8	57.2	0	0	0	0	113.6	A368 M369	A368-S371 PolarHBondContact O-OG 3.12Å; M369-S371 PolarHBondContact O-N 3.27Å
372	L	94.3	Very high	91.9	Very high	13 Å²	13	53.3 Å²	53.3	7%	0.068	26%	0.263	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.6	-7.8	-179.2	-53.4	178.9	0	0	0	113.5	M369 K370 I374 F433 D587 V588	M369-L372 HydrophobicContact CE-CD1 4.27Å; M369-L372 PolarHBondContact O-N 3.31Å; M369-L372 HydrophobicContact SD-CD1 4.47Å; K370-L372 PolarHBondContact O-N 3.23Å; L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 PolarHBondContact O-N 3.34Å; L372-F433 HydrophobicContact CB-CD1 4.34Å; L372-F433 HydrophobicContact CB-CE1 4.38Å; L372-D587 HydrophobicContact CD1-CB 4.24Å; L372-D587 HydrophobicContact CD2-CB 4.34Å; L372-V588 HydrophobicContact CB-CG2 3.74Å; L372-V588 HydrophobicContact CD1-CG2 4.12Å
373	Q	94.2	Very high	91.7	Very high	3 Å²	3	57.7 Å²	57.7	1%	0.014	28%	0.28	C	S	.	.	S	Bend	trans	-60.4	-35.8	-175.1	-81.7	-156.4	-73.7	0	0	114.5	M369 K370 L424 P425 L426 I432 F433 V434	M369-Q373 PolarHBondContact O-N 3.46Å; K370-Q373 VanDerWaalsContact CD-OE1 3.27Å; K370-Q373 PolarHBondContact O-N 3.04Å; Q373-L424 PolarHBondContact NE2-O 3.17Å; Q373-P425 PolarHBondContact NE2-O 3.32Å; Q373-L426 HydrophobicContact CG-CD1 3.87Å; Q373-L426 HydrophobicContact CG-CD2 4.14Å; Q373-L426 HydrophobicContact CG-CG 4.46Å; Q373-I432 PolarHBondContact NE2-O 3Å; Q373-I432 VanDerWaalsContact NE2-O 3.1Å; Q373-F433 HydrophobicContact CG-CD1 4.3Å; Q373-F433 HydrophobicContact CG-CE1 4.26Å; Q373-F433 CarbonylContact O-C 3.51Å; Q373-F433 WeakPolarHBondContact O-CA 3.33Å; Q373-V434 PolarHBondContact O-N 3.34Å
374	I	93.3	Very high	91.4	Very high	51 Å²	51	56.8 Å²	56.8	26%	0.262	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	122	173.3	-55.6	-174.1	0	0	0	108.3	L372 L420 E421 L424 V434	L372-I374 VanDerWaalsContact C-N 3.33Å; L372-I374 PolarHBondContact O-N 3.34Å; I374-L420 HydrophobicContact CD1-CB 3.54Å; I374-E421 HydrophobicContact CD1-CB 4.16Å; I374-L424 HydrophobicContact CD1-CD1 4.1Å; I374-L424 HydrophobicContact CG1-CD1 3.79Å; I374-V434 WeakPolarHBondContact CA-O 3.38Å
375	R	93.2	Very high	91.3	Very high	45 Å²	45	62.4 Å²	62.4	17%	0.17	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	154.4	176.5	-51.1	-154.6	-64.2	169.2	3.9	110.2	V434 C435 V436 D583 Y584 D587	R375-V434 PolarHBondContact N-O 2.63Å; R375-C435 WeakPolarHBondContact O-CA 3.31Å; R375-V436 PolarHBondContact O-N 2.75Å; R375-D583 PolarHBondContact NH2-O 3.42Å; R375-D583 VanDerWaalsContact NH2-O 3.08Å; R375-Y584 PolarHBondContact NH2-O 3.41Å; R375-D587 IonicContact NH1-OD2 3.19Å
376	S	92.9	Very high	91.2	Very high	64 Å²	64	64.1 Å²	64.1	45%	0.448	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	148	161.9	-74.2	0	0	0	0	109.9	K277 V436	K277-S376 PolarHBondContact NZ-OG 2.98Å; S376-V436 VanDerWaalsContact CA-O 3.24Å; S376-V436 WeakPolarHBondContact CA-O 3.23Å
377	W	95	Very high	91.2	Very high	90 Å²	90	63.4 Å²	63.4	34%	0.341	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-152.8	149.6	172.3	-162.6	-88.6	0	0	0	110.5	F379 C435 V436 E437 E438 D583	W377-F379 HydrophobicContact CB-CD1 4.31Å; W377-F379 HydrophobicContact CB-CE1 3.96Å; W377-F379 PolarHBondContact O-N 2.9Å; W377-C435 WeakPolarHBondContact CB-SG 3.43Å; W377-V436 PolarHBondContact N-O 2.94Å; W377-V436 VanDerWaalsContact N-O 3.07Å; W377-E437 CarbonylContact O-C 3.52Å; W377-E437 WeakPolarHBondContact O-CA 3.25Å; W377-E438 PolarHBondContact O-N 3.27Å; W377-D583 HydrophobicContact CH2-CB 3.54Å; W377-D583 HydrophobicContact CZ2-CB 3.27Å; W377-D583 HydrophobicContact CZ3-CB 4.49Å
378	R	94.4	Very high	91.3	Very high	95 Å²	95	57.3 Å²	57.3	36%	0.358	29%	0.293	S	S	.	.			trans	-77.7	111.7	175.7	-159.4	170.2	-65.1	-154.6	-4.3	111.4	I380 E382 L387 E437 E438	R378-I380 WeakPolarHBondContact CG-O 3.36Å; R378-E382 IonicContact CZ-OE1 3.51Å; R378-E382 IonicContact NH1-OE1 3.17Å; R378-E382 PolarHBondContact NH1-OE1 2.75Å; R378-L387 HydrophobicContact CB-CD1 4.23Å; R378-L387 HydrophobicContact CG-CD1 3.85Å; R378-E437 WeakPolarHBondContact CA-OE1 3.42Å; R378-E438 HydrophobicContact CB-CB 4.39Å; R378-E438 HydrophobicContact CB-CG 4.45Å; R378-E438 IonicContact CZ-OE2 3.89Å; R378-E438 VanDerWaalsContact CZ-OE2 3.27Å; R378-E438 PolarHBondContact N-OE1 3.21Å; R378-E438 VanDerWaalsContact N-OE1 3.14Å; R378-E438 IonicContact NE-OE2 3.06Å; R378-E438 PolarHBondContact NE-OE2 3.32Å; R378-E438 IonicContact NH2-OE2 2.69Å; R378-E438 PolarHBondContact NH2-OE2 2.71Å
379	F	93.9	Very high	91.3	Very high	0 Å²	0	62 Å²	62	0%	0	32%	0.322	C	S	.	.			trans	-96.2	-22.7	172	-54.2	-9.9	0	0	0	111.5	W377 L387 L388 C435 E437 I443 K445	W377-F379 HydrophobicContact CB-CD1 4.31Å; W377-F379 HydrophobicContact CB-CE1 3.96Å; W377-F379 PolarHBondContact O-N 2.9Å; F379-L387 WeakPolarHBondContact O-CB 3.3Å; F379-L387 PolarHBondContact O-N 2.98Å; F379-L388 HydrophobicContact CB-CD1 4.34Å; F379-L388 HydrophobicContact CB-CD2 4.42Å; F379-L388 HydrophobicContact CB-CG 4.27Å; F379-L388 HydrophobicContact CD1-CD1 4.12Å; F379-L388 HydrophobicContact CD1-CD2 3.78Å; F379-L388 HydrophobicContact CD1-CG 4.32Å; F379-L388 HydrophobicContact CE1-CD2 4.48Å; F379-L388 HydrophobicContact CG-CD1 4.13Å; F379-L388 HydrophobicContact CG-CD2 4.34Å; F379-L388 HydrophobicContact CG-CG 4.43Å; F379-C435 HydrophobicContact CZ-CB 4.2Å; F379-E437 HydrophobicContact CB-CG 3.69Å; F379-E437 HydrophobicContact CD2-CB 4.23Å; F379-E437 HydrophobicContact CD2-CG 3.91Å; F379-E437 HydrophobicContact CG-CB 4.46Å; F379-E437 HydrophobicContact CG-CG 3.8Å; F379-E437 PolarHBondContact N-OE1 2.68Å; F379-I443 HydrophobicContact CD2-CG2 3.52Å; F379-I443 HydrophobicContact CE2-CG2 3.96Å; F379-K445 HydrophobicContact CE2-CB 4.39Å; F379-K445 HydrophobicContact CE2-CD 4.36Å; F379-K445 HydrophobicContact CE2-CG 3.92Å; F379-K445 HydrophobicContact CZ-CB 4.04Å; F379-K445 HydrophobicContact CZ-CD 4.08Å; F379-K445 HydrophobicContact CZ-CG 3.89Å
380	I	90.6	Very high	91.4	Very high	19 Å²	19	62.7 Å²	62.7	10%	0.097	33%	0.325	C	S	.	.	B	Isolated β-bridge	trans	-128.9	134.1	-175	-55.6	-179.4	0	0	0	108.9	R378 K385 L386 E437 I443	R378-I380 WeakPolarHBondContact CG-O 3.36Å; I380-K385 CarbonylContact C-O 3.52Å; I380-K385 WeakPolarHBondContact CA-O 3.4Å; I380-L386 HydrophobicContact CG1-CD1 4.25Å; I380-E437 PolarHBondContact N-OE1 3.17Å; I380-I443 HydrophobicContact CD1-CD1 3.61Å
381	D	88.9	Confident	91.6	Very high	40 Å²	40	62.7 Å²	62.7	21%	0.214	33%	0.332	C	S	.	.			trans	-76.4	174.1	176.1	85.3	-10.8	0	0	0	112.8	N383 G384 K385 L387	D381-N383 PolarHBondContact O-N 2.76Å; D381-N383 VanDerWaalsContact O-N 3.11Å; D381-N383 VanDerWaalsContact OD1-CA 3.31Å; D381-N383 WeakPolarHBondContact OD1-CA 3.45Å; D381-N383 WeakPolarHBondContact OD1-CB 3.23Å; D381-N383 PolarHBondContact OD1-N 3.08Å; D381-N383 PolarHBondContact OD2-ND2 3.47Å; D381-G384 PolarHBondContact O-N 2.68Å; D381-G384 PolarHBondContact OD1-N 3.35Å; D381-K385 PolarHBondContact N-O 3.32Å; D381-K385 WeakPolarHBondContact OD1-CA 3.45Å; D381-K385 VanDerWaalsContact OD1-CB 3.31Å; D381-K385 WeakPolarHBondContact OD1-CB 3.36Å; D381-K385 PolarHBondContact OD1-N 3.23Å; D381-L387 HydrophobicContact CB-CD1 4.46Å; D381-L387 HydrophobicContact CB-CD2 4.08Å; D381-L387 HydrophobicContact CB-CG 4.29Å
382	E	85.2	Confident	91.9	Very high	170 Å²	170	59.6 Å²	59.6	79%	0.794	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-11.6	-178.5	-67.5	166.2	-157.9	0	0	113.1	R378	R378-E382 IonicContact CZ-OE1 3.51Å; R378-E382 IonicContact NH1-OE1 3.17Å; R378-E382 PolarHBondContact NH1-OE1 2.75Å
383	N	84.4	Confident	91.9	Very high	137 Å²	137	61.8 Å²	61.8	73%	0.733	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.5	0.9	174	-49.3	-74.6	0	0	0	112.9	D381 K385	D381-N383 PolarHBondContact O-N 2.76Å; D381-N383 VanDerWaalsContact O-N 3.11Å; D381-N383 VanDerWaalsContact OD1-CA 3.31Å; D381-N383 WeakPolarHBondContact OD1-CA 3.45Å; D381-N383 WeakPolarHBondContact OD1-CB 3.23Å; D381-N383 PolarHBondContact OD1-N 3.08Å; D381-N383 PolarHBondContact OD2-ND2 3.47Å; N383-K385 VanDerWaalsContact C-N 3.33Å
384	G	82	Confident	91.9	Very high	26 Å²	26	70.1 Å²	70.1	27%	0.268	35%	0.35	S	S	.	.	S	Bend	trans	71.6	25.6	-174.3	0	0	0	0	0	113.6	D381 Y393 K397	D381-G384 PolarHBondContact O-N 2.68Å; D381-G384 PolarHBondContact OD1-N 3.35Å; G384-Y393 PolarHBondContact O-OH 3.39Å; G384-K397 PolarHBondContact O-NZ 2.94Å
385	K	88.3	Confident	91.9	Very high	133 Å²	133	70.8 Å²	70.8	58%	0.578	35%	0.352	S	S	*	.			trans	-93.2	136.9	170.8	-178.6	-164.9	169.4	-169.1	0	109.4	I380 D381 N383	I380-K385 CarbonylContact C-O 3.52Å; I380-K385 WeakPolarHBondContact CA-O 3.4Å; D381-K385 PolarHBondContact N-O 3.32Å; D381-K385 WeakPolarHBondContact OD1-CA 3.45Å; D381-K385 VanDerWaalsContact OD1-CB 3.31Å; D381-K385 WeakPolarHBondContact OD1-CB 3.36Å; D381-K385 PolarHBondContact OD1-N 3.23Å; N383-K385 VanDerWaalsContact C-N 3.33Å
386	L	89.9	Confident	91.9	Very high	39 Å²	39	68.6 Å²	68.6	20%	0.204	34%	0.344	C	S	.	.	B	Isolated β-bridge	trans	-69.3	132	175.5	-167.8	69.5	0	0	0	111.5	I380 L388 Y393	I380-L386 HydrophobicContact CG1-CD1 4.25Å; L386-L388 WeakPolarHBondContact CD1-O 3.47Å; L386-L388 VanDerWaalsContact CD2-O 3.22Å; L386-L388 WeakPolarHBondContact CD2-O 3.37Å; L386-L388 WeakPolarHBondContact CG-O 3.35Å; L386-Y393 HydrophobicContact CB-CD1 4.3Å; L386-Y393 HydrophobicContact CB-CD2 3.86Å; L386-Y393 HydrophobicContact CB-CE1 4.27Å; L386-Y393 HydrophobicContact CB-CE2 3.83Å; L386-Y393 HydrophobicContact CB-CG 4.1Å; L386-Y393 HydrophobicContact CD1-CD2 4Å; L386-Y393 HydrophobicContact CD1-CG 4.26Å; L386-Y393 HydrophobicContact CD2-CD1 4.22Å; L386-Y393 HydrophobicContact CD2-CD2 4.45Å; L386-Y393 HydrophobicContact CD2-CG 3.98Å; L386-Y393 HydrophobicContact CG-CD2 4.32Å; L386-Y393 HydrophobicContact CG-CG 4.35Å
387	L	93.1	Very high	91.8	Very high	98 Å²	98	71.3 Å²	71.3	51%	0.513	35%	0.348	S	S	.	.	S	Bend	trans	-92.6	-25.5	177.4	-66.1	175	0	0	0	113.3	R378 F379 D381	R378-L387 HydrophobicContact CB-CD1 4.23Å; R378-L387 HydrophobicContact CG-CD1 3.85Å; F379-L387 WeakPolarHBondContact O-CB 3.3Å; F379-L387 PolarHBondContact O-N 2.98Å; D381-L387 HydrophobicContact CB-CD1 4.46Å; D381-L387 HydrophobicContact CB-CD2 4.08Å; D381-L387 HydrophobicContact CB-CG 4.29Å
388	L	92.7	Very high	91.6	Very high	23 Å²	23	71.4 Å²	71.4	12%	0.12	37%	0.368	C	S	.	.	S	Bend	trans	-148.7	150.6	-174.9	59.6	92.4	0	0	0	111.7	F379 L386 Y390 K445 Y584	F379-L388 HydrophobicContact CB-CD1 4.34Å; F379-L388 HydrophobicContact CB-CD2 4.42Å; F379-L388 HydrophobicContact CB-CG 4.27Å; F379-L388 HydrophobicContact CD1-CD1 4.12Å; F379-L388 HydrophobicContact CD1-CD2 3.78Å; F379-L388 HydrophobicContact CD1-CG 4.32Å; F379-L388 HydrophobicContact CE1-CD2 4.48Å; F379-L388 HydrophobicContact CG-CD1 4.13Å; F379-L388 HydrophobicContact CG-CD2 4.34Å; F379-L388 HydrophobicContact CG-CG 4.43Å; L386-L388 WeakPolarHBondContact CD1-O 3.47Å; L386-L388 VanDerWaalsContact CD2-O 3.22Å; L386-L388 WeakPolarHBondContact CD2-O 3.37Å; L386-L388 WeakPolarHBondContact CG-O 3.35Å; L388-Y390 PolarHBondContact O-N 3.39Å; L388-K445 HydrophobicContact CD1-CD 4.1Å; L388-Y584 HydrophobicContact CB-CE1 4.46Å; L388-Y584 HydrophobicContact CD1-CD1 4.39Å; L388-Y584 HydrophobicContact CD1-CE1 3.95Å; L388-Y584 HydrophobicContact CD2-CD1 3.69Å; L388-Y584 HydrophobicContact CD2-CE1 3.87Å; L388-Y584 HydrophobicContact CG-CE1 4.33Å
389	P	92.9	Very high	91.5	Very high	107 Å²	107	67.8 Å²	67.8	70%	0.695	36%	0.355	S	S	*	.			trans	-55.5	128.3	-173.9	-27.3	35.9	0	0	0	114	K445	P389-K445 WeakPolarHBondContact O-CE 3.15Å; P389-K445 PolarHBondContact O-NZ 3.07Å
390	Y	96.6	Very high	91.2	Very high	15 Å²	15	72.5 Å²	72.5	6%	0.059	38%	0.381	C	S	.	.			trans	-151.4	120.3	-176.9	-174.7	-108.2	0	0	0	111.8	L388 Y392 Y393 I443 M444 D464 L465 F466	L388-Y390 PolarHBondContact O-N 3.39Å; Y390-Y392 VanDerWaalsContact C-N 3.32Å; Y390-Y392 PolarHBondContact O-N 2.8Å; Y390-Y393 PolarHBondContact O-N 3.17Å; Y390-I443 HydrophobicContact CD1-CG2 4.49Å; Y390-I443 HydrophobicContact CE1-CG2 3.88Å; Y390-I443 HydrophobicContact CE2-CG2 4Å; Y390-M444 WeakPolarHBondContact CE2-O 3.49Å; Y390-D464 HydrophobicContact CD2-CB 4.08Å; Y390-D464 VanDerWaalsContact CD2-CG 3.48Å; Y390-D464 WeakPolarHBondContact CD2-OD1 3.48Å; Y390-D464 HydrophobicContact CE2-CB 3.87Å; Y390-L465 PolarHBondContact OH-O 3.38Å; Y390-F466 WeakPolarHBondContact OH-CB 3.41Å
391	S	97	Very high	90.9	Very high	56 Å²	56	73.2 Å²	73.2	39%	0.392	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.9	-38.9	-171.2	-59.1	0	0	0	0	113.8	D464 T479	S391-D464 VanDerWaalsContact CB-OD2 3.24Å; S391-D464 WeakPolarHBondContact CB-OD2 3.28Å; S391-D464 PolarHBondContact N-OD2 2.71Å; S391-D464 PolarHBondContact OG-OD2 2.72Å; S391-T479 WeakPolarHBondContact CB-OG1 3.26Å; S391-T479 WeakPolarHBondContact OG-CB 3.48Å; S391-T479 PolarHBondContact OG-OG1 2.74Å
392	Y	96.8	Very high	90.6	Very high	28 Å²	28	76 Å²	76	11%	0.11	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	19.8	-170.5	-55.5	-70.2	0	0	0	113.5	Y390 K394 E395 A396 D464 F466 K477 M478 T479	Y390-Y392 VanDerWaalsContact C-N 3.32Å; Y390-Y392 PolarHBondContact O-N 2.8Å; Y392-K394 PolarHBondContact O-N 3.29Å; Y392-E395 PolarHBondContact O-N 3.26Å; Y392-A396 VanDerWaalsContact O-CB 3.28Å; Y392-A396 WeakPolarHBondContact O-CB 3.47Å; Y392-A396 PolarHBondContact O-N 2.83Å; Y392-D464 HydrophobicContact CD2-CB 4.25Å; Y392-D464 HydrophobicContact CE2-CB 4.16Å; Y392-F466 HydrophobicContact CD1-CB 4.39Å; Y392-F466 HydrophobicContact CD2-CB 3.48Å; Y392-F466 VanDerWaalsContact CD2-CB 3.48Å; Y392-F466 HydrophobicContact CD2-CG 4.49Å; Y392-F466 HydrophobicContact CE2-CB 4.28Å; Y392-F466 HydrophobicContact CG-CB 3.54Å; Y392-F466 HydrophobicContact CG-CD1 4.29Å; Y392-F466 HydrophobicContact CG-CG 4.1Å; Y392-K477 HydrophobicContact CD1-CB 4.14Å; Y392-K477 HydrophobicContact CD1-CD 3.64Å; Y392-K477 HydrophobicContact CE1-CB 3.52Å; Y392-K477 HydrophobicContact CE1-CD 3.4Å; Y392-K477 HydrophobicContact CE1-CG 4.14Å; Y392-K477 HydrophobicContact CE2-CB 4.03Å; Y392-K477 VanDerWaalsContact CZ-CB 3.45Å; Y392-M478 PolarHBondContact OH-N 3.11Å; Y392-M478 PolarHBondContact OH-O 2.78Å; Y392-T479 WeakPolarHBondContact CE2-OG1 3.47Å; Y392-T479 PolarHBondContact OH-N 2.97Å; Y392-T479 PolarHBondContact OH-OG1 3.14Å
393	Y	94.4	Very high	90.8	Very high	59 Å²	59	69.4 Å²	69.4	23%	0.231	37%	0.374	C	S	.	.	H	α-helix	trans	-57.9	-33	-177.5	167.3	-120.1	0	0	0	113.1	G384 L386 Y390 K397	G384-Y393 PolarHBondContact O-OH 3.39Å; L386-Y393 HydrophobicContact CB-CD1 4.3Å; L386-Y393 HydrophobicContact CB-CD2 3.86Å; L386-Y393 HydrophobicContact CB-CE1 4.27Å; L386-Y393 HydrophobicContact CB-CE2 3.83Å; L386-Y393 HydrophobicContact CB-CG 4.1Å; L386-Y393 HydrophobicContact CD1-CD2 4Å; L386-Y393 HydrophobicContact CD1-CG 4.26Å; L386-Y393 HydrophobicContact CD2-CD1 4.22Å; L386-Y393 HydrophobicContact CD2-CD2 4.45Å; L386-Y393 HydrophobicContact CD2-CG 3.98Å; L386-Y393 HydrophobicContact CG-CD2 4.32Å; L386-Y393 HydrophobicContact CG-CG 4.35Å; Y390-Y393 PolarHBondContact O-N 3.17Å; Y393-K397 HydrophobicContact CE2-CB 4.27Å; Y393-K397 HydrophobicContact CE2-CD 3.98Å; Y393-K397 WeakPolarHBondContact O-CB 3.5Å; Y393-K397 PolarHBondContact O-N 2.86Å; Y393-K397 PolarHBondContact OH-NZ 3.23Å
394	K	94	Very high	90.8	Very high	177 Å²	177	68.5 Å²	68.5	77%	0.77	38%	0.375	S	S	*	.	H	α-helix	trans	-65.7	-51.9	178	-70.5	177.3	179.5	173.3	0	111.5	Y392 K397 A398	Y392-K394 PolarHBondContact O-N 3.29Å; K394-K397 PolarHBondContact O-N 3.15Å; K394-A398 WeakPolarHBondContact O-CB 3.33Å; K394-A398 PolarHBondContact O-N 3.06Å
395	E	94.5	Very high	91.2	Very high	65 Å²	65	72 Å²	72	30%	0.304	40%	0.395	S	S	.	.	H	α-helix	trans	-67.6	-37.9	177.5	-59.4	99	115.1	0	0	112.4	Y392 A398 L399 F466 K477	Y392-E395 PolarHBondContact O-N 3.26Å; E395-A398 PolarHBondContact O-N 3.11Å; E395-L399 VanDerWaalsContact O-CB 3.26Å; E395-L399 WeakPolarHBondContact O-CB 3.3Å; E395-L399 PolarHBondContact O-N 3.24Å; E395-F466 HydrophobicContact CB-CD1 4.45Å; E395-F466 HydrophobicContact CB-CE1 3.68Å; E395-F466 HydrophobicContact CB-CZ 4.07Å; E395-K477 IonicContact OE1-NZ 3.75Å; E395-K477 PolarHBondContact OE1-NZ 3.11Å
396	A	92.3	Very high	91.3	Very high	0 Å²	0	66.5 Å²	66.5	0%	0	37%	0.372	C	S	.	.	H	α-helix	trans	-58.8	-48.2	173.2	0	0	0	0	0	111.3	Y392 A398 L399 R440 I443 F466	Y392-A396 VanDerWaalsContact O-CB 3.28Å; Y392-A396 WeakPolarHBondContact O-CB 3.47Å; Y392-A396 PolarHBondContact O-N 2.83Å; A396-A398 PolarHBondContact O-N 3.03Å; A396-L399 PolarHBondContact O-N 3.11Å; A396-L399 VanDerWaalsContact O-N 3.12Å; A396-L399 VanDerWaalsContact O-O 3.07Å; A396-R440 PolarHBondContact O-NH1 3.42Å; A396-R440 PolarHBondContact O-NH2 2.89Å; A396-I443 HydrophobicContact CB-CD1 3.71Å; A396-I443 HydrophobicContact CB-CG1 4.25Å; A396-F466 HydrophobicContact CB-CD2 4.48Å; A396-F466 HydrophobicContact CB-CE2 3.91Å; A396-F466 HydrophobicContact CB-CZ 4.46Å
397	K	91	Very high	91.2	Very high	121 Å²	121	69.6 Å²	69.6	53%	0.526	38%	0.384	S	S	.	.	H	α-helix	trans	-66.9	-33.4	179.4	-175.4	162	-172	145.8	0	113.4	G384 Y393 K394 L399	G384-K397 PolarHBondContact O-NZ 2.94Å; Y393-K397 HydrophobicContact CE2-CB 4.27Å; Y393-K397 HydrophobicContact CE2-CD 3.98Å; Y393-K397 WeakPolarHBondContact O-CB 3.5Å; Y393-K397 PolarHBondContact O-N 2.86Å; Y393-K397 PolarHBondContact OH-NZ 3.23Å; K394-K397 PolarHBondContact O-N 3.15Å; K397-L399 PolarHBondContact O-N 3.12Å
398	A	91.5	Very high	90.9	Very high	91 Å²	91	70.2 Å²	70.2	75%	0.752	39%	0.388	S	S	*	.	H	α-helix	trans	-71.2	-15.4	173.8	0	0	0	0	0	113.5	K394 E395 A396	K394-A398 WeakPolarHBondContact O-CB 3.33Å; K394-A398 PolarHBondContact O-N 3.06Å; E395-A398 PolarHBondContact O-N 3.11Å; A396-A398 PolarHBondContact O-N 3.03Å
399	L	90.9	Very high	90.9	Very high	19 Å²	19	69.8 Å²	69.8	10%	0.099	39%	0.385	C	S	.	.			trans	-106.8	116	-172.8	-179.2	54.9	0	0	0	112.3	E395 A396 K397 P401 L406 R409 R440 F466 V469	E395-L399 VanDerWaalsContact O-CB 3.26Å; E395-L399 WeakPolarHBondContact O-CB 3.3Å; E395-L399 PolarHBondContact O-N 3.24Å; A396-L399 PolarHBondContact O-N 3.11Å; A396-L399 VanDerWaalsContact O-N 3.12Å; A396-L399 VanDerWaalsContact O-O 3.07Å; K397-L399 PolarHBondContact O-N 3.12Å; L399-P401 VanDerWaalsContact O-CD 3.28Å; L399-P401 WeakPolarHBondContact O-CD 3.44Å; L399-L406 HydrophobicContact CD1-CD1 3.44Å; L399-L406 VanDerWaalsContact CD1-CD1 3.44Å; L399-L406 HydrophobicContact CG-CD1 4.42Å; L399-R409 VanDerWaalsContact CD2-NH2 3.32Å; L399-R440 PolarHBondContact O-NH1 2.93Å; L399-R440 PolarHBondContact O-NH2 3.22Å; L399-R440 VanDerWaalsContact O-NH2 3.1Å; L399-F466 HydrophobicContact CD2-CZ 3.99Å; L399-V469 HydrophobicContact CD1-CG2 3.65Å; L399-V469 HydrophobicContact CD2-CG2 4.02Å; L399-V469 HydrophobicContact CG-CG2 4.41Å
400	N	88.7	Confident	90.8	Very high	100 Å²	100	64.9 Å²	64.9	54%	0.535	35%	0.353	S	S	.	.			trans	-78.1	108.1	164.7	177.3	2.5	0	0	0	110.1	L402 S403 L406	N400-L402 VanDerWaalsContact C-N 3.26Å; N400-L402 PolarHBondContact O-N 3.24Å; N400-L402 PolarHBondContact OD1-N 2.93Å; N400-S403 PolarHBondContact O-N 2.88Å; N400-L406 WeakPolarHBondContact O-CD1 3.18Å
401	P	84	Confident	90.3	Very high	34 Å²	34	65.9 Å²	65.9	22%	0.221	36%	0.358	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.3	-16.6	-175.7	33.4	-36.3	0	0	0	113.1	L399 R440	L399-P401 VanDerWaalsContact O-CD 3.28Å; L399-P401 WeakPolarHBondContact O-CD 3.44Å; P401-R440 HydrophobicContact CG-CG 4.17Å
402	L	82.5	Confident	90	Very high	99 Å²	99	63.7 Å²	63.7	52%	0.518	34%	0.341	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.7	10	179	-58.6	177.7	0	0	0	112.6	N400	N400-L402 VanDerWaalsContact C-N 3.26Å; N400-L402 PolarHBondContact O-N 3.24Å; N400-L402 PolarHBondContact OD1-N 2.93Å
403	S	88.6	Confident	89.8	Confident	31 Å²	31	62.4 Å²	62.4	22%	0.217	34%	0.336	C	S	.	.			trans	-58.1	132.6	172.1	-177.8	0	0	0	0	110.6	N400 S405 L406	N400-S403 PolarHBondContact O-N 2.88Å; S403-S405 PolarHBondContact O-N 3.41Å; S403-S405 VanDerWaalsContact O-N 3.11Å; S403-S405 PolarHBondContact OG-OG 3.44Å; S403-L406 PolarHBondContact O-N 3.1Å
404	P	85.8	Confident	89.5	Confident	118 Å²	118	59.6 Å²	59.6	77%	0.766	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-54.4	-33	177.5	-28.3	35.7	0	0	0	113.7	L406 K407	P404-L406 PolarHBondContact O-N 2.83Å; P404-K407 WeakPolarHBondContact O-CB 3.28Å; P404-K407 PolarHBondContact O-N 2.77Å
405	S	90.3	Very high	89.2	Confident	99 Å²	99	52.2 Å²	52.2	69%	0.692	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-66.5	-11.4	176	56.8	0	0	0	0	114.9	S403	S403-S405 PolarHBondContact O-N 3.41Å; S403-S405 VanDerWaalsContact O-N 3.11Å; S403-S405 PolarHBondContact OG-OG 3.44Å
406	L	90.9	Very high	89	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.089	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-114.7	8.4	-178.4	-55.3	178.6	0	0	0	112.7	L399 N400 S403 P404 D408 R409 G410 V469	L399-L406 HydrophobicContact CD1-CD1 3.44Å; L399-L406 VanDerWaalsContact CD1-CD1 3.44Å; L399-L406 HydrophobicContact CG-CD1 4.42Å; N400-L406 WeakPolarHBondContact O-CD1 3.18Å; S403-L406 PolarHBondContact O-N 3.1Å; P404-L406 PolarHBondContact O-N 2.83Å; L406-D408 VanDerWaalsContact C-N 3.3Å; L406-D408 PolarHBondContact O-N 3.12Å; L406-R409 WeakPolarHBondContact O-CB 3.37Å; L406-R409 PolarHBondContact O-N 2.77Å; L406-G410 PolarHBondContact O-N 2.74Å; L406-V469 HydrophobicContact CD2-CG1 4.16Å
407	K	86.2	Confident	88.9	Confident	104 Å²	104	49.7 Å²	49.7	45%	0.452	28%	0.281	S	S	.	.	H	α-helix	trans	-53.5	-45.6	-178.3	-177.7	176.6	177.1	179.8	0	112.4	P404 G410 K411	P404-K407 WeakPolarHBondContact O-CB 3.28Å; P404-K407 PolarHBondContact O-N 2.77Å; K407-G410 PolarHBondContact O-N 3.08Å; K407-K411 PolarHBondContact O-N 3.24Å
408	D	87	Confident	88.7	Confident	112 Å²	112	44.2 Å²	44.2	60%	0.599	26%	0.258	S	S	*	.	H	α-helix	trans	-79.5	-28.3	-176.7	-57.1	-52.6	0	0	0	112.8	L406 K411 R412	L406-D408 VanDerWaalsContact C-N 3.3Å; L406-D408 PolarHBondContact O-N 3.12Å; D408-K411 PolarHBondContact O-N 3.19Å; D408-R412 WeakPolarHBondContact O-CB 3.43Å; D408-R412 PolarHBondContact O-N 3.4Å
409	R	92.9	Very high	88.3	Confident	13 Å²	13	40.2 Å²	40.2	5%	0.049	23%	0.225	C	C	.	.	H	α-helix	trans	-59.6	-46.8	163.1	167.9	-179	167.6	-81	5.8	110.7	L399 L406 R412 I413 D442 F467 P468 V469 Y471	L399-R409 VanDerWaalsContact CD2-NH2 3.32Å; L406-R409 WeakPolarHBondContact O-CB 3.37Å; L406-R409 PolarHBondContact O-N 2.77Å; R409-R412 PolarHBondContact O-N 3.47Å; R409-I413 HydrophobicContact CG-CD1 3.78Å; R409-I413 VanDerWaalsContact O-CG1 3.29Å; R409-I413 WeakPolarHBondContact O-CG1 3.5Å; R409-I413 PolarHBondContact O-N 3.4Å; R409-D442 IonicContact CZ-OD2 2.65Å; R409-D442 IonicContact NH1-OD2 2.73Å; R409-D442 PolarHBondContact NH1-OD2 3.27Å; R409-D442 IonicContact NH2-OD2 2.72Å; R409-D442 PolarHBondContact NH2-OD2 2.87Å; R409-F467 PolarHBondContact NH2-O 3.02Å; R409-P468 PolarHBondContact NE-O 3.12Å; R409-V469 WeakPolarHBondContact CD-O 3.35Å; R409-Y471 WeakPolarHBondContact CB-O 3.44Å; R409-Y471 WeakPolarHBondContact CG-O 3.29Å
410	G	90.4	Very high	88.2	Confident	4 Å²	4	39.3 Å²	39.3	4%	0.041	22%	0.22	C	C	.	.	H	α-helix	trans	-59.3	-48.1	176.7	0	0	0	0	0	112.1	L278 L406 K407 R412 I413 A414	L278-G410 VanDerWaalsContact CD1-C 3.46Å; L278-G410 WeakPolarHBondContact CD1-O 3.25Å; L406-G410 PolarHBondContact O-N 2.74Å; K407-G410 PolarHBondContact O-N 3.08Å; G410-R412 PolarHBondContact O-N 2.97Å; G410-I413 PolarHBondContact O-N 2.66Å; G410-A414 PolarHBondContact O-N 3.18Å
411	K	86.7	Confident	87.7	Confident	36 Å²	36	38.7 Å²	38.7	16%	0.157	21%	0.214	C	C	.	.	H	α-helix	trans	-55.3	-48.2	172.1	-77.3	-172.3	171.9	-161.9	0	111.8	L278 D282 K407 D408 I413 A414 R415	L278-K411 HydrophobicContact CD1-CG 4.26Å; D282-K411 IonicContact OD1-NZ 3.58Å; D282-K411 PolarHBondContact OD1-NZ 3.35Å; D282-K411 IonicContact OD2-NZ 2.72Å; K407-K411 PolarHBondContact O-N 3.24Å; D408-K411 PolarHBondContact O-N 3.19Å; K411-I413 PolarHBondContact O-N 3.34Å; K411-A414 WeakPolarHBondContact O-CB 3.37Å; K411-A414 PolarHBondContact O-N 3.33Å; K411-R415 WeakPolarHBondContact O-CG 3.37Å; K411-R415 PolarHBondContact O-N 3.18Å
412	R	90.3	Very high	87.4	Confident	11 Å²	11	40.5 Å²	40.5	4%	0.042	22%	0.222	C	C	.	.	H	α-helix	trans	-61	-46	-179.7	177.3	54.5	-173	-81.3	-12.8	111.7	D408 R409 G410 A414 R415 E416 Y471 P472 P518 C520	D408-R412 WeakPolarHBondContact O-CB 3.43Å; D408-R412 PolarHBondContact O-N 3.4Å; R409-R412 PolarHBondContact O-N 3.47Å; G410-R412 PolarHBondContact O-N 2.97Å; R412-A414 VanDerWaalsContact C-N 3.31Å; R412-A414 PolarHBondContact O-N 3.11Å; R412-R415 WeakPolarHBondContact O-CB 3.37Å; R412-R415 PolarHBondContact O-N 3.43Å; R412-E416 IonicContact CZ-OE1 3.74Å; R412-E416 IonicContact NE-OE1 3.63Å; R412-E416 PolarHBondContact NE-OE1 3.06Å; R412-E416 IonicContact NH2-OE1 3.33Å; R412-E416 PolarHBondContact NH2-OE1 3.33Å; R412-E416 PolarHBondContact O-N 3.08Å; R412-Y471 HydrophobicContact CG-CE1 3.79Å; R412-P472 HydrophobicContact CG-CB 4.17Å; R412-P472 HydrophobicContact CG-CG 4.15Å; R412-P518 PolarHBondContact NH1-O 3.04Å; R412-P518 PolarHBondContact NH2-O 3.04Å; R412-P518 VanDerWaalsContact NH2-O 3.1Å; R412-C520 PolarHBondContact NH2-O 3.48Å
413	I	93.1	Very high	87.4	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-60.9	-39.8	175.9	-64.4	166.1	0	0	0	111.2	R409 G410 K411 R415 E416 I417 C441 D442 F467 Y471	R409-I413 HydrophobicContact CG-CD1 3.78Å; R409-I413 VanDerWaalsContact O-CG1 3.29Å; R409-I413 WeakPolarHBondContact O-CG1 3.5Å; R409-I413 PolarHBondContact O-N 3.4Å; G410-I413 PolarHBondContact O-N 2.66Å; K411-I413 PolarHBondContact O-N 3.34Å; I413-R415 VanDerWaalsContact C-N 3.32Å; I413-R415 PolarHBondContact O-N 3.08Å; I413-E416 WeakPolarHBondContact O-CB 3.5Å; I413-E416 PolarHBondContact O-N 2.96Å; I413-I417 HydrophobicContact CG2-CD1 3.91Å; I413-I417 WeakPolarHBondContact O-CG1 3.24Å; I413-I417 PolarHBondContact O-N 3.26Å; I413-C441 HydrophobicContact CG2-CB 4.03Å; I413-C441 WeakPolarHBondContact CG2-O 3.35Å; I413-D442 HydrophobicContact CD1-CB 3.88Å; I413-F467 HydrophobicContact CD1-CB 3.52Å; I413-F467 HydrophobicContact CD1-CD1 4.16Å; I413-F467 HydrophobicContact CD1-CD2 4.27Å; I413-F467 HydrophobicContact CD1-CG 3.72Å; I413-F467 HydrophobicContact CG1-CB 4.16Å; I413-F467 HydrophobicContact CG1-CD1 3.82Å; I413-F467 HydrophobicContact CG1-CD2 4.37Å; I413-F467 HydrophobicContact CG1-CE1 4.31Å; I413-F467 HydrophobicContact CG1-CG 3.84Å; I413-F467 HydrophobicContact CG2-CD2 4.19Å; I413-F467 HydrophobicContact CG2-CE2 4.2Å; I413-F467 HydrophobicContact CG2-CG 4.49Å; I413-F467 HydrophobicContact CG2-CZ 4.48Å; I413-Y471 HydrophobicContact CD1-CD1 4.15Å; I413-Y471 HydrophobicContact CG1-CD1 3.64Å; I413-Y471 HydrophobicContact CG1-CE1 3.68Å
414	A	88.8	Confident	87.6	Confident	0 Å²	0	37 Å²	37	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-36.5	173.2	0	0	0	0	0	113.1	Y270 F273 T274 L278 G410 K411 R412 I417 A418	Y270-A414 HydrophobicContact CD2-CB 4.32Å; Y270-A414 HydrophobicContact CE2-CB 3.86Å; F273-A414 HydrophobicContact CD1-CB 3.51Å; F273-A414 HydrophobicContact CE1-CB 3.6Å; T274-A414 HydrophobicContact CG2-CB 3.7Å; L278-A414 HydrophobicContact CD1-CB 3.97Å; G410-A414 PolarHBondContact O-N 3.18Å; K411-A414 WeakPolarHBondContact O-CB 3.37Å; K411-A414 PolarHBondContact O-N 3.33Å; R412-A414 VanDerWaalsContact C-N 3.31Å; R412-A414 PolarHBondContact O-N 3.11Å; A414-I417 PolarHBondContact O-N 3.47Å; A414-A418 WeakPolarHBondContact O-CB 3.19Å; A414-A418 PolarHBondContact O-N 2.76Å
415	R	87.4	Confident	87.9	Confident	22 Å²	22	32.8 Å²	32.8	8%	0.083	17%	0.174	C	C	.	.	H	α-helix	trans	-69.3	-37.5	175.6	-66.2	172.3	-173.6	-177.6	-4.8	112.1	I214 S218 E219 Y270 D282 K411 R412 I413 S419	I214-R415 HydrophobicContact CG2-CB 3.95Å; I214-R415 HydrophobicContact CG2-CG 4.24Å; I214-R415 VanDerWaalsContact CG2-O 3.29Å; I214-R415 WeakPolarHBondContact CG2-O 3.35Å; S218-R415 WeakPolarHBondContact OG-CD 3.41Å; S218-R415 PolarHBondContact OG-NE 3.25Å; S218-R415 PolarHBondContact OG-NH1 2.87Å; E219-R415 IonicContact OE1-CZ 2.73Å; E219-R415 IonicContact OE1-NH1 3.15Å; E219-R415 PolarHBondContact OE1-NH1 3.3Å; E219-R415 IonicContact OE1-NH2 3.91Å; Y270-R415 HydrophobicContact CD2-CG 3.96Å; Y270-R415 HydrophobicContact CE2-CB 4.18Å; Y270-R415 HydrophobicContact CE2-CG 3.23Å; Y270-R415 PolarHBondContact OH-NE 3.4Å; D282-R415 IonicContact OD2-CZ 3.75Å; D282-R415 IonicContact OD2-NE 3.39Å; D282-R415 IonicContact OD2-NH2 3.95Å; D282-R415 PolarHBondContact OD2-NH2 3.2Å; K411-R415 WeakPolarHBondContact O-CG 3.37Å; K411-R415 PolarHBondContact O-N 3.18Å; R412-R415 WeakPolarHBondContact O-CB 3.37Å; R412-R415 PolarHBondContact O-N 3.43Å; I413-R415 VanDerWaalsContact C-N 3.32Å; I413-R415 PolarHBondContact O-N 3.08Å; R415-S419 VanDerWaalsContact O-CB 3.3Å; R415-S419 WeakPolarHBondContact O-CB 3.48Å; R415-S419 PolarHBondContact O-N 3.26Å; R415-S419 PolarHBondContact O-OG 3.22Å
416	E	90.2	Very high	88.1	Confident	4 Å²	4	29.2 Å²	29.2	2%	0.019	15%	0.147	C	C	.	.	H	α-helix	trans	-59.2	-51.8	171.4	-63.7	-63.5	162.3	0	0	110.9	R412 I413 A418 S419 L420 Y471 S521 L522	R412-E416 IonicContact CZ-OE1 3.74Å; R412-E416 IonicContact NE-OE1 3.63Å; R412-E416 PolarHBondContact NE-OE1 3.06Å; R412-E416 IonicContact NH2-OE1 3.33Å; R412-E416 PolarHBondContact NH2-OE1 3.33Å; R412-E416 PolarHBondContact O-N 3.08Å; I413-E416 WeakPolarHBondContact O-CB 3.5Å; I413-E416 PolarHBondContact O-N 2.96Å; E416-A418 PolarHBondContact O-N 3.48Å; E416-S419 CarbonylContact O-C 3.42Å; E416-S419 WeakPolarHBondContact O-CA 3.37Å; E416-S419 WeakPolarHBondContact O-CB 3.43Å; E416-S419 PolarHBondContact O-N 3.36Å; E416-S419 VanDerWaalsContact O-N 3.11Å; E416-L420 WeakPolarHBondContact O-CG 3.38Å; E416-L420 PolarHBondContact O-N 2.99Å; E416-L420 VanDerWaalsContact O-N 3.12Å; E416-Y471 VanDerWaalsContact CG-OH 3.24Å; E416-Y471 WeakPolarHBondContact CG-OH 3.48Å; E416-Y471 PolarHBondContact OE1-OH 3.45Å; E416-S521 WeakPolarHBondContact OE2-CA 3.4Å; E416-S521 WeakPolarHBondContact OE2-CB 3.38Å; E416-L522 HydrophobicContact CB-CB 3.97Å; E416-L522 HydrophobicContact CB-CD2 4.13Å; E416-L522 HydrophobicContact CG-CB 4.19Å; E416-L522 WeakPolarHBondContact OE2-CB 3.4Å; E416-L522 PolarHBondContact OE2-N 3.42Å
417	I	90.4	Very high	88.3	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.046	16%	0.156	C	C	.	.	H	α-helix	trans	-62.8	-46.2	-176.2	-64.7	162.6	0	0	0	111.8	F273 I413 A414 S419 L420 V436 C441 M444	F273-I417 HydrophobicContact CD2-CG2 4.14Å; F273-I417 HydrophobicContact CE1-CD1 4.02Å; F273-I417 HydrophobicContact CE2-CB 4.28Å; F273-I417 HydrophobicContact CE2-CD1 4Å; F273-I417 HydrophobicContact CE2-CG2 3.65Å; F273-I417 HydrophobicContact CZ-CB 4.27Å; F273-I417 HydrophobicContact CZ-CD1 3.35Å; F273-I417 HydrophobicContact CZ-CG1 4.4Å; F273-I417 HydrophobicContact CZ-CG2 4.1Å; I413-I417 HydrophobicContact CG2-CD1 3.91Å; I413-I417 WeakPolarHBondContact O-CG1 3.24Å; I413-I417 PolarHBondContact O-N 3.26Å; A414-I417 PolarHBondContact O-N 3.47Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 2.83Å; I417-L420 WeakPolarHBondContact O-CB 3.27Å; I417-L420 PolarHBondContact O-N 2.78Å; I417-V436 HydrophobicContact CD1-CG1 4.18Å; I417-V436 HydrophobicContact CG2-CG2 4.45Å; I417-C441 HydrophobicContact CD1-CB 3.83Å; I417-M444 HydrophobicContact CD1-CE 3.39Å; I417-M444 HydrophobicContact CG1-CE 3.29Å
418	A	85.5	Confident	88.6	Confident	5 Å²	5	28 Å²	28	4%	0.041	15%	0.146	C	C	.	.	H	α-helix	trans	-65.3	-31.5	176.2	0	0	0	0	0	112.2	I214 L266 Y270 A414 E416 L420	I214-A418 HydrophobicContact CG2-CB 3.87Å; L266-A418 WeakPolarHBondContact CD1-O 3.32Å; Y270-A418 HydrophobicContact CD2-CB 4.1Å; Y270-A418 HydrophobicContact CG-CB 4.36Å; A414-A418 WeakPolarHBondContact O-CB 3.19Å; A414-A418 PolarHBondContact O-N 2.76Å; E416-A418 PolarHBondContact O-N 3.48Å; A418-L420 PolarHBondContact O-N 3.28Å
419	S	84.3	Confident	88.9	Confident	7 Å²	7	24 Å²	24	5%	0.049	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72	-9.5	171.4	-53.1	0	0	0	0	113.5	I214 R415 E416 I417 N423	I214-S419 PolarHBondContact N-OG 3.12Å; R415-S419 VanDerWaalsContact O-CB 3.3Å; R415-S419 WeakPolarHBondContact O-CB 3.48Å; R415-S419 PolarHBondContact O-N 3.26Å; R415-S419 PolarHBondContact O-OG 3.22Å; E416-S419 CarbonylContact O-C 3.42Å; E416-S419 WeakPolarHBondContact O-CA 3.37Å; E416-S419 WeakPolarHBondContact O-CB 3.43Å; E416-S419 PolarHBondContact O-N 3.36Å; E416-S419 VanDerWaalsContact O-N 3.11Å; I417-S419 VanDerWaalsContact C-N 3.26Å; I417-S419 PolarHBondContact O-N 2.83Å; S419-N423 WeakPolarHBondContact O-CB 3.34Å; S419-N423 PolarHBondContact O-ND2 3.05Å
420	L	88.3	Confident	88.9	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.3	-31.9	174.7	-69.3	-164.6	0	0	0	112.9	I374 E416 I417 A418 N422 N423 L424 V434 L522 L523 L526	I374-L420 HydrophobicContact CD1-CB 3.54Å; E416-L420 WeakPolarHBondContact O-CG 3.38Å; E416-L420 PolarHBondContact O-N 2.99Å; E416-L420 VanDerWaalsContact O-N 3.12Å; I417-L420 WeakPolarHBondContact O-CB 3.27Å; I417-L420 PolarHBondContact O-N 2.78Å; A418-L420 PolarHBondContact O-N 3.28Å; L420-N422 VanDerWaalsContact C-N 3.27Å; L420-N422 PolarHBondContact O-N 2.9Å; L420-N422 VanDerWaalsContact O-N 3.12Å; L420-N423 PolarHBondContact O-N 2.78Å; L420-L424 HydrophobicContact CB-CD1 4Å; L420-L424 HydrophobicContact CB-CD2 4.39Å; L420-L424 HydrophobicContact CB-CG 3.86Å; L420-L424 HydrophobicContact CD1-CD1 4.21Å; L420-L424 HydrophobicContact CD1-CD2 4.09Å; L420-L424 HydrophobicContact CD1-CG 4.31Å; L420-L424 HydrophobicContact CD2-CD2 3.85Å; L420-L424 HydrophobicContact CD2-CG 4.19Å; L420-L424 HydrophobicContact CG-CD2 4.33Å; L420-L424 HydrophobicContact CG-CG 4.34Å; L420-L424 WeakPolarHBondContact O-CG 3.39Å; L420-L424 PolarHBondContact O-N 2.96Å; L420-V434 HydrophobicContact CD1-CB 4.47Å; L420-V434 HydrophobicContact CD1-CG1 4.48Å; L420-V434 HydrophobicContact CD1-CG2 3.91Å; L420-L522 HydrophobicContact CD1-CD2 3.56Å; L420-L522 HydrophobicContact CD1-CG 4.22Å; L420-L522 HydrophobicContact CD2-CD2 4.35Å; L420-L522 HydrophobicContact CD2-CG 4.37Å; L420-L522 HydrophobicContact CG-CD2 4.08Å; L420-L523 HydrophobicContact CD2-CB 3.92Å; L420-L523 HydrophobicContact CD2-CD1 4.12Å; L420-L526 HydrophobicContact CD1-CD1 4.41Å
421	E	78.8	Confident	89.2	Confident	86 Å²	86	25.3 Å²	25.3	40%	0.402	14%	0.135	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-38.8	-166.1	-171.6	171.4	-148.2	0	0	113.5	S269 K370 I374	S269-E421 WeakPolarHBondContact CB-OE2 3.22Å; S269-E421 PolarHBondContact OG-OE2 3.33Å; K370-E421 PolarHBondContact NZ-O 2.99Å; I374-E421 HydrophobicContact CD1-CB 4.16Å
422	N	76.6	Confident	89.8	Confident	72 Å²	72	23.6 Å²	23.6	39%	0.385	13%	0.127	S	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-13.2	178.3	-68.9	-25.4	0	0	0	114.5	Q212 L420	Q212-N422 HydrophobicContact CG-CB 4.44Å; Q212-N422 PolarHBondContact OE1-ND2 3.42Å; L420-N422 VanDerWaalsContact C-N 3.27Å; L420-N422 PolarHBondContact O-N 2.9Å; L420-N422 VanDerWaalsContact O-N 3.12Å
423	N	83.5	Confident	90.1	Very high	50 Å²	50	23 Å²	23	27%	0.267	13%	0.125	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.8	-16.7	-166.3	-64.2	-46.7	0	0	0	116	Q212 S419 L420 L523	Q212-N423 WeakPolarHBondContact CB-ND2 3.42Å; Q212-N423 WeakPolarHBondContact CB-OD1 3.07Å; Q212-N423 WeakPolarHBondContact CG-OD1 3.41Å; Q212-N423 PolarHBondContact O-ND2 3.18Å; S419-N423 WeakPolarHBondContact O-CB 3.34Å; S419-N423 PolarHBondContact O-ND2 3.05Å; L420-N423 PolarHBondContact O-N 2.78Å; N423-L523 HydrophobicContact CB-CD1 4.03Å; N423-L523 HydrophobicContact CB-CD2 3.55Å; N423-L523 HydrophobicContact CB-CG 4.44Å
424	L	91.4	Very high	90.3	Very high	6 Å²	6	23.1 Å²	23.1	3%	0.031	13%	0.125	C	C	.	.	S	Bend	trans	-57.9	128.7	176.7	-76.7	174	0	0	0	110	Q373 I374 L420 L426 I432 V434 L523 L526	Q373-L424 PolarHBondContact NE2-O 3.17Å; I374-L424 HydrophobicContact CD1-CD1 4.1Å; I374-L424 HydrophobicContact CG1-CD1 3.79Å; L420-L424 HydrophobicContact CB-CD1 4Å; L420-L424 HydrophobicContact CB-CD2 4.39Å; L420-L424 HydrophobicContact CB-CG 3.86Å; L420-L424 HydrophobicContact CD1-CD1 4.21Å; L420-L424 HydrophobicContact CD1-CD2 4.09Å; L420-L424 HydrophobicContact CD1-CG 4.31Å; L420-L424 HydrophobicContact CD2-CD2 3.85Å; L420-L424 HydrophobicContact CD2-CG 4.19Å; L420-L424 HydrophobicContact CG-CD2 4.33Å; L420-L424 HydrophobicContact CG-CG 4.34Å; L420-L424 WeakPolarHBondContact O-CG 3.39Å; L420-L424 PolarHBondContact O-N 2.96Å; L424-L426 PolarHBondContact O-N 3Å; L424-I432 HydrophobicContact CD2-CB 4.01Å; L424-I432 HydrophobicContact CD2-CG2 3.75Å; L424-V434 HydrophobicContact CD1-CB 4.44Å; L424-V434 HydrophobicContact CD1-CG2 3.87Å; L424-V434 HydrophobicContact CD2-CG2 4.34Å; L424-L523 HydrophobicContact CD2-CD1 4.39Å; L424-L526 HydrophobicContact CD2-CD1 4.03Å
425	P	93.7	Very high	90.7	Very high	30 Å²	30	23.1 Å²	23.1	20%	0.195	13%	0.125	C	C	.	.			trans	-50.9	129.9	176.8	-29	35.2	0	0	0	111.8	Q373 S431 I432 V527	Q373-P425 PolarHBondContact NE2-O 3.32Å; P425-S431 CarbonylContact O-C 3.59Å; P425-S431 VanDerWaalsContact O-CA 3.26Å; P425-S431 WeakPolarHBondContact O-CA 3.45Å; P425-I432 HydrophobicContact CB-CG1 4.38Å; P425-I432 HydrophobicContact CG-CD1 4.08Å; P425-I432 HydrophobicContact CG-CG1 4.27Å; P425-I432 PolarHBondContact O-N 3.46Å; P425-V527 HydrophobicContact CG-CG2 4.03Å
426	L	94.8	Very high	91.1	Very high	24 Å²	24	22.1 Å²	22.1	13%	0.126	12%	0.122	C	C	.	.	B	Isolated β-bridge	trans	-139	97.3	176.6	-169.9	63	0	0	0	109.7	Y365 Y366 M369 K370 Q373 L424 F433	Y365-L426 HydrophobicContact CE1-CD1 4.4Å; Y366-L426 HydrophobicContact CD2-CB 4.19Å; Y366-L426 HydrophobicContact CD2-CD2 3.64Å; Y366-L426 HydrophobicContact CD2-CG 3.87Å; Y366-L426 HydrophobicContact CE2-CB 4.17Å; Y366-L426 HydrophobicContact CE2-CD2 3.69Å; Y366-L426 HydrophobicContact CE2-CG 4.18Å; Y366-L426 HydrophobicContact CG-CD2 4.15Å; M369-L426 HydrophobicContact CB-CD1 3.84Å; K370-L426 VanDerWaalsContact CA-CD2 3.49Å; K370-L426 HydrophobicContact CB-CD2 3.59Å; K370-L426 HydrophobicContact CD-CD2 3.58Å; K370-L426 HydrophobicContact CG-CD2 4.17Å; Q373-L426 HydrophobicContact CG-CD1 3.87Å; Q373-L426 HydrophobicContact CG-CD2 4.14Å; Q373-L426 HydrophobicContact CG-CG 4.46Å; L424-L426 PolarHBondContact O-N 3Å; L426-F433 HydrophobicContact CD1-CE1 4.43Å; L426-F433 HydrophobicContact CD1-CZ 4.26Å
427	S	94	Very high	91.3	Very high	41 Å²	41	22 Å²	22	29%	0.287	12%	0.121	S	C	.	.			trans	-144	160.3	175.9	76.5	0	0	0	0	110.7	Y365 S429 N430 S431	Y365-S427 VanDerWaalsContact CE1-C 3.49Å; Y365-S427 WeakPolarHBondContact CE1-O 3.2Å; S427-S429 PolarHBondContact O-N 3.03Å; S427-S429 PolarHBondContact OG-N 3.47Å; S427-N430 PolarHBondContact N-O 3.06Å; S427-N430 CarbonylContact O-C 3.55Å; S427-N430 PolarHBondContact OG-N 3.48Å; S427-N430 PolarHBondContact OG-O 3.49Å; S427-N430 PolarHBondContact OG-OD1 3.12Å; S427-S431 PolarHBondContact N-OG 3.42Å; S427-S431 PolarHBondContact O-OG 3.03Å
428	E	92.1	Very high	91.3	Very high	54 Å²	54	25.4 Å²	25.4	25%	0.252	14%	0.137	S	C	.	.	S	Bend	trans	-61.9	-20	176.7	-150.6	-151.3	107.8	0	0	113	A362 Y365 K596	A362-E428 WeakPolarHBondContact CA-OE2 3.12Å; A362-E428 HydrophobicContact CB-CB 4.21Å; A362-E428 PolarHBondContact N-OE2 3.06Å; A362-E428 VanDerWaalsContact N-OE2 3.11Å; Y365-E428 HydrophobicContact CD1-CB 4.32Å; Y365-E428 HydrophobicContact CD1-CG 4.5Å; Y365-E428 HydrophobicContact CD2-CG 4.14Å; Y365-E428 HydrophobicContact CG-CB 4.26Å; Y365-E428 HydrophobicContact CG-CG 3.96Å; E428-K596 HydrophobicContact CG-CD 4.46Å; E428-K596 VanDerWaalsContact O-CD 3.25Å; E428-K596 WeakPolarHBondContact O-CD 3.47Å; E428-K596 WeakPolarHBondContact O-CE 3.43Å; E428-K596 PolarHBondContact O-NZ 2.67Å; E428-K596 VanDerWaalsContact OE1-CE 3.24Å; E428-K596 WeakPolarHBondContact OE1-CE 3.1Å; E428-K596 IonicContact OE1-NZ 3.36Å; E428-K596 PolarHBondContact OE1-NZ 2.92Å
429	S	93.4	Very high	91.4	Very high	30 Å²	30	29 Å²	29	21%	0.21	16%	0.162	C	C	.	.	S	Bend	trans	-86.1	-61	174.6	168.3	0	0	0	0	111	S427 D452	S427-S429 PolarHBondContact O-N 3.03Å; S427-S429 PolarHBondContact OG-N 3.47Å; S429-D452 VanDerWaalsContact CA-OD2 3.27Å; S429-D452 WeakPolarHBondContact CA-OD2 3.36Å; S429-D452 VanDerWaalsContact CB-OD2 3.26Å; S429-D452 WeakPolarHBondContact CB-OD2 3.4Å; S429-D452 PolarHBondContact OG-N 3.38Å
430	N	92.7	Very high	91.6	Very high	43 Å²	43	29.9 Å²	29.9	23%	0.23	16%	0.164	C	C	.	.			trans	-133.5	135.9	-176.6	68	-67.4	0	0	0	111.1	S427 P451 Q530	S427-N430 PolarHBondContact N-O 3.06Å; S427-N430 CarbonylContact O-C 3.55Å; S427-N430 PolarHBondContact OG-N 3.48Å; S427-N430 PolarHBondContact OG-O 3.49Å; S427-N430 PolarHBondContact OG-OD1 3.12Å; N430-P451 HydrophobicContact CB-CB 3.97Å; N430-P451 HydrophobicContact CB-CG 3.84Å; N430-Q530 PolarHBondContact ND2-OE1 2.87Å
431	S	97.5	Very high	91.8	Very high	0 Å²	0	30.3 Å²	30.3	0%	0	17%	0.167	C	C	.	.	B	Isolated β-bridge	trans	-140.7	152	-177.5	-66.9	0	0	0	0	110.5	Y365 P425 S427 F433 T449 Q530	Y365-S431 WeakPolarHBondContact CE1-OG 3.35Å; Y365-S431 PolarHBondContact OH-OG 3.29Å; P425-S431 CarbonylContact O-C 3.59Å; P425-S431 VanDerWaalsContact O-CA 3.26Å; P425-S431 WeakPolarHBondContact O-CA 3.45Å; S427-S431 PolarHBondContact N-OG 3.42Å; S427-S431 PolarHBondContact O-OG 3.03Å; S431-F433 VanDerWaalsContact CB-CE2 3.41Å; S431-T449 PolarHBondContact N-OG1 3.11Å; S431-T449 PolarHBondContact O-N 3.36Å; S431-Q530 PolarHBondContact O-NE2 3.02Å
432	I	98.1	Very high	92.6	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	134.4	171.8	-52	-171.6	0	0	0	109.7	Q373 L424 P425 V434 V446 I448 L526 Q530	Q373-I432 PolarHBondContact NE2-O 3Å; Q373-I432 VanDerWaalsContact NE2-O 3.1Å; L424-I432 HydrophobicContact CD2-CB 4.01Å; L424-I432 HydrophobicContact CD2-CG2 3.75Å; P425-I432 HydrophobicContact CB-CG1 4.38Å; P425-I432 HydrophobicContact CG-CD1 4.08Å; P425-I432 HydrophobicContact CG-CG1 4.27Å; P425-I432 PolarHBondContact O-N 3.46Å; I432-V434 HydrophobicContact CG2-CG2 4.45Å; I432-V446 HydrophobicContact CG2-CG1 3.88Å; I432-I448 HydrophobicContact CG1-CG1 4.32Å; I432-I448 HydrophobicContact CG1-CG2 4.38Å; I432-I448 HydrophobicContact CG2-CG1 4.22Å; I432-L526 HydrophobicContact CD1-CB 3.88Å; I432-L526 WeakPolarHBondContact CD1-O 3.33Å; I432-L526 HydrophobicContact CG2-CD1 4.2Å; I432-Q530 HydrophobicContact CD1-CG 4.05Å; I432-Q530 HydrophobicContact CG1-CG 4.32Å
433	F	98	Very high	93.5	Very high	0 Å²	0	22.8 Å²	22.8	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	138.5	178.9	-55.1	-91.8	0	0	0	109.4	M369 L372 Q373 L426 S431 V446 L447 T449 F585 V588	M369-F433 HydrophobicContact CB-CE1 4.07Å; M369-F433 HydrophobicContact CB-CZ 4.08Å; M369-F433 HydrophobicContact CE-CE1 3.63Å; M369-F433 HydrophobicContact CE-CE2 4.31Å; M369-F433 HydrophobicContact CE-CZ 3.4Å; M369-F433 VanDerWaalsContact CE-CZ 3.4Å; M369-F433 HydrophobicContact CG-CZ 4.49Å; L372-F433 HydrophobicContact CB-CD1 4.34Å; L372-F433 HydrophobicContact CB-CE1 4.38Å; Q373-F433 HydrophobicContact CG-CD1 4.3Å; Q373-F433 HydrophobicContact CG-CE1 4.26Å; Q373-F433 CarbonylContact O-C 3.51Å; Q373-F433 WeakPolarHBondContact O-CA 3.33Å; L426-F433 HydrophobicContact CD1-CE1 4.43Å; L426-F433 HydrophobicContact CD1-CZ 4.26Å; S431-F433 VanDerWaalsContact CB-CE2 3.41Å; F433-V446 CarbonylContact O-C 3.33Å; F433-V446 WeakPolarHBondContact O-CA 3.43Å; F433-V446 WeakPolarHBondContact O-CG1 3.42Å; F433-L447 HydrophobicContact CB-CB 4.37Å; F433-L447 HydrophobicContact CD2-CD2 3.94Å; F433-L447 PolarHBondContact N-O 2.94Å; F433-L447 PolarHBondContact O-N 2.79Å; F433-T449 HydrophobicContact CD2-CG2 4.49Å; F433-T449 HydrophobicContact CE2-CG2 3.88Å; F433-F585 HydrophobicContact CB-CE1 4.04Å; F433-V588 HydrophobicContact CB-CG1 4.24Å; F433-V588 HydrophobicContact CB-CG2 4.44Å; F433-V588 HydrophobicContact CD1-CB 4.47Å; F433-V588 HydrophobicContact CD1-CG1 3.74Å; F433-V588 HydrophobicContact CD1-CG2 3.82Å; F433-V588 HydrophobicContact CD2-CG1 3.55Å; F433-V588 HydrophobicContact CE1-CG1 3.97Å; F433-V588 HydrophobicContact CE1-CG2 4.37Å; F433-V588 HydrophobicContact CE2-CG1 3.74Å; F433-V588 HydrophobicContact CG-CG1 3.56Å; F433-V588 HydrophobicContact CG-CG2 4.17Å; F433-V588 HydrophobicContact CZ-CG1 3.98Å
434	V	97.9	Very high	94.2	Very high	1 Å²	1	20.4 Å²	20.4	1%	0.006	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	130.4	-178.1	179.4	0	0	0	0	109.8	Q373 I374 R375 L420 L424 I432 V436 M444 V446 L526	Q373-V434 PolarHBondContact O-N 3.34Å; I374-V434 WeakPolarHBondContact CA-O 3.38Å; R375-V434 PolarHBondContact N-O 2.63Å; L420-V434 HydrophobicContact CD1-CB 4.47Å; L420-V434 HydrophobicContact CD1-CG1 4.48Å; L420-V434 HydrophobicContact CD1-CG2 3.91Å; L424-V434 HydrophobicContact CD1-CB 4.44Å; L424-V434 HydrophobicContact CD1-CG2 3.87Å; L424-V434 HydrophobicContact CD2-CG2 4.34Å; I432-V434 HydrophobicContact CG2-CG2 4.45Å; V434-V436 HydrophobicContact CG1-CG2 4.04Å; V434-M444 HydrophobicContact CG1-CG 4.46Å; V434-M444 HydrophobicContact CG1-SD 3.87Å; V434-V446 HydrophobicContact CG2-CG1 4.25Å; V434-V446 HydrophobicContact CG2-CG2 4.25Å; V434-L526 HydrophobicContact CG2-CD1 4.09Å
435	C	97.1	Very high	94.5	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	117.7	170.8	-169.8	0	0	0	0	109.1	R375 W377 F379 M444 K445 F585	R375-C435 WeakPolarHBondContact O-CA 3.31Å; W377-C435 WeakPolarHBondContact CB-SG 3.43Å; F379-C435 HydrophobicContact CZ-CB 4.2Å; C435-M444 CarbonylContact O-C 3.59Å; C435-M444 VanDerWaalsContact O-CA 3.27Å; C435-M444 WeakPolarHBondContact O-CA 3.38Å; C435-K445 HydrophobicContact CB-CB 4.43Å; C435-K445 PolarHBondContact N-O 3.4Å; C435-K445 PolarHBondContact O-N 3Å; C435-F585 HydrophobicContact CB-CE1 3.92Å; C435-F585 HydrophobicContact CB-CZ 3.84Å
436	V	95.7	Very high	94.7	Very high	2 Å²	2	18.8 Å²	18.8	1%	0.012	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	142.4	179.7	-172	0	0	0	0	109.3	R375 S376 W377 I417 V434 M444	R375-V436 PolarHBondContact O-N 2.75Å; S376-V436 VanDerWaalsContact CA-O 3.24Å; S376-V436 WeakPolarHBondContact CA-O 3.23Å; W377-V436 PolarHBondContact N-O 2.94Å; W377-V436 VanDerWaalsContact N-O 3.07Å; I417-V436 HydrophobicContact CD1-CG1 4.18Å; I417-V436 HydrophobicContact CG2-CG2 4.45Å; V434-V436 HydrophobicContact CG1-CG2 4.04Å; V436-M444 HydrophobicContact CG1-CE 4.41Å; V436-M444 HydrophobicContact CG1-CG 4.43Å; V436-M444 HydrophobicContact CG2-CE 4.16Å; V436-M444 HydrophobicContact CG2-CG 4.24Å; V436-M444 HydrophobicContact CG2-SD 4.4Å
437	E	94.6	Very high	94.9	Very high	0 Å²	0	17.7 Å²	17.7	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	140.8	177.8	-147.2	-70.8	133.7	0	0	111.6	K277 W377 R378 F379 I380 S439 R440 I443	K277-E437 PolarHBondContact NZ-O 2.84Å; W377-E437 CarbonylContact O-C 3.52Å; W377-E437 WeakPolarHBondContact O-CA 3.25Å; R378-E437 WeakPolarHBondContact CA-OE1 3.42Å; F379-E437 HydrophobicContact CB-CG 3.69Å; F379-E437 HydrophobicContact CD2-CB 4.23Å; F379-E437 HydrophobicContact CD2-CG 3.91Å; F379-E437 HydrophobicContact CG-CB 4.46Å; F379-E437 HydrophobicContact CG-CG 3.8Å; F379-E437 PolarHBondContact N-OE1 2.68Å; I380-E437 PolarHBondContact N-OE1 3.17Å; E437-S439 VanDerWaalsContact C-N 3.34Å; E437-S439 PolarHBondContact O-N 3.33Å; E437-S439 WeakPolarHBondContact OE2-CA 3.22Å; E437-S439 WeakPolarHBondContact OE2-CB 3.36Å; E437-S439 PolarHBondContact OE2-N 3.01Å; E437-S439 PolarHBondContact OE2-OG 3.32Å; E437-R440 HydrophobicContact CB-CB 4.08Å; E437-R440 VanDerWaalsContact CB-O 3.27Å; E437-R440 WeakPolarHBondContact CB-O 3.45Å; E437-R440 HydrophobicContact CG-CB 4.44Å; E437-R440 PolarHBondContact O-N 2.86Å; E437-R440 PolarHBondContact OE2-N 2.98Å; E437-I443 HydrophobicContact CB-CB 3.84Å; E437-I443 HydrophobicContact CB-CG2 3.92Å; E437-I443 HydrophobicContact CG-CB 4.32Å; E437-I443 HydrophobicContact CG-CG2 4.04Å; E437-I443 PolarHBondContact N-O 3.3Å
438	E	90.6	Very high	95.1	Very high	82 Å²	82	15.7 Å²	15.7	38%	0.383	9%	0.087	S	C	.	.	S	Bend	trans	-53.8	-45.6	-177.1	-104	175.3	-133.7	0	0	113.3	K277 W377 R378	K277-E438 PolarHBondContact NZ-O 2.93Å; W377-E438 PolarHBondContact O-N 3.27Å; R378-E438 HydrophobicContact CB-CB 4.39Å; R378-E438 HydrophobicContact CB-CG 4.45Å; R378-E438 IonicContact CZ-OE2 3.89Å; R378-E438 VanDerWaalsContact CZ-OE2 3.27Å; R378-E438 PolarHBondContact N-OE1 3.21Å; R378-E438 VanDerWaalsContact N-OE1 3.14Å; R378-E438 IonicContact NE-OE2 3.06Å; R378-E438 PolarHBondContact NE-OE2 3.32Å; R378-E438 IonicContact NH2-OE2 2.69Å; R378-E438 PolarHBondContact NH2-OE2 2.71Å
439	S	86.5	Confident	95.4	Very high	79 Å²	79	13.1 Å²	13.1	55%	0.552	8%	0.075	S	C	*	.	S	Bend	trans	-96.9	-25.9	-179.9	72	0	0	0	0	113.3	E437	E437-S439 VanDerWaalsContact C-N 3.34Å; E437-S439 PolarHBondContact O-N 3.33Å; E437-S439 WeakPolarHBondContact OE2-CA 3.22Å; E437-S439 WeakPolarHBondContact OE2-CB 3.36Å; E437-S439 PolarHBondContact OE2-N 3.01Å; E437-S439 PolarHBondContact OE2-OG 3.32Å
440	R	89.2	Confident	95.6	Very high	27 Å²	27	11.7 Å²	11.7	10%	0.102	7%	0.065	C	C	.	.			trans	-123.3	102.9	-168.3	-73.6	-168.2	67.9	149.5	3	114.7	A396 L399 P401 E437 D442 I443	A396-R440 PolarHBondContact O-NH1 3.42Å; A396-R440 PolarHBondContact O-NH2 2.89Å; L399-R440 PolarHBondContact O-NH1 2.93Å; L399-R440 PolarHBondContact O-NH2 3.22Å; L399-R440 VanDerWaalsContact O-NH2 3.1Å; P401-R440 HydrophobicContact CG-CG 4.17Å; E437-R440 HydrophobicContact CB-CB 4.08Å; E437-R440 VanDerWaalsContact CB-O 3.27Å; E437-R440 WeakPolarHBondContact CB-O 3.45Å; E437-R440 HydrophobicContact CG-CB 4.44Å; E437-R440 PolarHBondContact O-N 2.86Å; E437-R440 PolarHBondContact OE2-N 2.98Å; R440-D442 WeakPolarHBondContact CB-OD1 3.44Å; R440-D442 IonicContact CZ-OD1 2.66Å; R440-D442 IonicContact CZ-OD2 3.87Å; R440-D442 IonicContact NE-OD1 2.9Å; R440-D442 PolarHBondContact NE-OD1 3.49Å; R440-D442 IonicContact NE-OD2 2.74Å; R440-D442 IonicContact NH2-OD1 2.76Å; R440-D442 PolarHBondContact NH2-OD1 3.3Å; R440-D442 IonicContact NH2-OD2 3.2Å; R440-D442 PolarHBondContact NH2-OD2 3.38Å; R440-D442 PolarHBondContact O-N 3.04Å; R440-D442 VanDerWaalsContact O-N 3.12Å; R440-I443 HydrophobicContact CB-CB 4.3Å; R440-I443 HydrophobicContact CB-CD1 3.89Å; R440-I443 HydrophobicContact CB-CG1 4.1Å; R440-I443 HydrophobicContact CG-CD1 4.36Å; R440-I443 PolarHBondContact O-N 2.92Å
441	C	92	Very high	95.8	Very high	9 Å²	9	10.4 Å²	10.4	6%	0.061	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.7	-19.6	173.3	65.1	0	0	0	0	114.6	F273 I413 I417 I443 M444	F273-C441 HydrophobicContact CE1-CB 3.96Å; F273-C441 HydrophobicContact CZ-CB 3.71Å; I413-C441 HydrophobicContact CG2-CB 4.03Å; I413-C441 WeakPolarHBondContact CG2-O 3.35Å; I417-C441 HydrophobicContact CD1-CB 3.83Å; C441-I443 VanDerWaalsContact C-N 3.3Å; C441-I443 PolarHBondContact O-N 3.41Å; C441-M444 WeakPolarHBondContact O-CE 3.47Å
442	D	94.9	Very high	95.7	Very high	0 Å²	0	12.6 Å²	12.6	0%	0	7%	0.07	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	5.3	-179	64.1	-20.8	0	0	0	115	R409 I413 R440 F466 F467	R409-D442 IonicContact CZ-OD2 2.65Å; R409-D442 IonicContact NH1-OD2 2.73Å; R409-D442 PolarHBondContact NH1-OD2 3.27Å; R409-D442 IonicContact NH2-OD2 2.72Å; R409-D442 PolarHBondContact NH2-OD2 2.87Å; I413-D442 HydrophobicContact CD1-CB 3.88Å; R440-D442 WeakPolarHBondContact CB-OD1 3.44Å; R440-D442 IonicContact CZ-OD1 2.66Å; R440-D442 IonicContact CZ-OD2 3.87Å; R440-D442 IonicContact NE-OD1 2.9Å; R440-D442 PolarHBondContact NE-OD1 3.49Å; R440-D442 IonicContact NE-OD2 2.74Å; R440-D442 IonicContact NH2-OD1 2.76Å; R440-D442 PolarHBondContact NH2-OD1 3.3Å; R440-D442 IonicContact NH2-OD2 3.2Å; R440-D442 PolarHBondContact NH2-OD2 3.38Å; R440-D442 PolarHBondContact O-N 3.04Å; R440-D442 VanDerWaalsContact O-N 3.12Å; D442-F466 WeakPolarHBondContact O-CD2 3.43Å; D442-F467 HydrophobicContact CB-CB 4.16Å; D442-F467 PolarHBondContact O-N 3.31Å; D442-F467 VanDerWaalsContact O-N 3.14Å
443	I	96.2	Very high	95.5	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	124.7	-178	-62.3	-179.8	0	0	0	108.5	F379 I380 Y390 A396 E437 R440 C441 F466	F379-I443 HydrophobicContact CD2-CG2 3.52Å; F379-I443 HydrophobicContact CE2-CG2 3.96Å; I380-I443 HydrophobicContact CD1-CD1 3.61Å; Y390-I443 HydrophobicContact CD1-CG2 4.49Å; Y390-I443 HydrophobicContact CE1-CG2 3.88Å; Y390-I443 HydrophobicContact CE2-CG2 4Å; A396-I443 HydrophobicContact CB-CD1 3.71Å; A396-I443 HydrophobicContact CB-CG1 4.25Å; E437-I443 HydrophobicContact CB-CB 3.84Å; E437-I443 HydrophobicContact CB-CG2 3.92Å; E437-I443 HydrophobicContact CG-CB 4.32Å; E437-I443 HydrophobicContact CG-CG2 4.04Å; E437-I443 PolarHBondContact N-O 3.3Å; R440-I443 HydrophobicContact CB-CB 4.3Å; R440-I443 HydrophobicContact CB-CD1 3.89Å; R440-I443 HydrophobicContact CB-CG1 4.1Å; R440-I443 HydrophobicContact CG-CD1 4.36Å; R440-I443 PolarHBondContact O-N 2.92Å; C441-I443 VanDerWaalsContact C-N 3.3Å; C441-I443 PolarHBondContact O-N 3.41Å; I443-F466 HydrophobicContact CG1-CD2 4.25Å; I443-F466 HydrophobicContact CG1-CE2 4.38Å
444	M	97.7	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	154.4	-178.3	-62.1	-177	-172.4	0	0	113.1	Y390 I417 V434 C435 V436 C441 L465 F467 L522	Y390-M444 WeakPolarHBondContact CE2-O 3.49Å; I417-M444 HydrophobicContact CD1-CE 3.39Å; I417-M444 HydrophobicContact CG1-CE 3.29Å; V434-M444 HydrophobicContact CG1-CG 4.46Å; V434-M444 HydrophobicContact CG1-SD 3.87Å; C435-M444 CarbonylContact O-C 3.59Å; C435-M444 VanDerWaalsContact O-CA 3.27Å; C435-M444 WeakPolarHBondContact O-CA 3.38Å; V436-M444 HydrophobicContact CG1-CE 4.41Å; V436-M444 HydrophobicContact CG1-CG 4.43Å; V436-M444 HydrophobicContact CG2-CE 4.16Å; V436-M444 HydrophobicContact CG2-CG 4.24Å; V436-M444 HydrophobicContact CG2-SD 4.4Å; C441-M444 WeakPolarHBondContact O-CE 3.47Å; M444-L465 HydrophobicContact CB-CB 4.3Å; M444-L465 HydrophobicContact CB-CD2 4.31Å; M444-L465 PolarHBondContact N-O 3.19Å; M444-L465 PolarHBondContact O-N 3.31Å; M444-L465 VanDerWaalsContact O-O 3.13Å; M444-L465 HydrophobicContact SD-CD2 4.09Å; M444-F467 HydrophobicContact CE-CE2 3.55Å; M444-F467 HydrophobicContact CE-CZ 4.07Å; M444-F467 HydrophobicContact CG-CE2 4.45Å; M444-F467 HydrophobicContact SD-CE2 3.88Å; M444-F467 HydrophobicContact SD-CZ 4.4Å; M444-L522 HydrophobicContact CE-CD2 4.3Å; M444-L522 HydrophobicContact SD-CD2 4.15Å
445	K	98.2	Very high	95.5	Very high	3 Å²	3	19.6 Å²	19.6	1%	0.013	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.4	149.1	157	-74.7	-179.9	165.1	-66.4	0	109.5	F379 L388 P389 C435 E462 F463 D464 L481 Y584 F585	F379-K445 HydrophobicContact CE2-CB 4.39Å; F379-K445 HydrophobicContact CE2-CD 4.36Å; F379-K445 HydrophobicContact CE2-CG 3.92Å; F379-K445 HydrophobicContact CZ-CB 4.04Å; F379-K445 HydrophobicContact CZ-CD 4.08Å; F379-K445 HydrophobicContact CZ-CG 3.89Å; L388-K445 HydrophobicContact CD1-CD 4.1Å; P389-K445 WeakPolarHBondContact O-CE 3.15Å; P389-K445 PolarHBondContact O-NZ 3.07Å; C435-K445 HydrophobicContact CB-CB 4.43Å; C435-K445 PolarHBondContact N-O 3.4Å; C435-K445 PolarHBondContact O-N 3Å; K445-E462 WeakPolarHBondContact CD-OE1 3.17Å; K445-E462 WeakPolarHBondContact CE-OE1 3.27Å; K445-E462 IonicContact NZ-OE1 3.72Å; K445-E462 PolarHBondContact NZ-OE1 3.26Å; K445-F463 CarbonylContact C-O 3.55Å; K445-F463 WeakPolarHBondContact CA-O 3.44Å; K445-D464 WeakPolarHBondContact CE-OD1 3.48Å; K445-D464 WeakPolarHBondContact CG-OD1 3.35Å; K445-D464 IonicContact NZ-OD1 2.83Å; K445-D464 PolarHBondContact NZ-OD1 3.32Å; K445-L481 VanDerWaalsContact NZ-CD1 3.28Å; K445-Y584 HydrophobicContact CD-CD2 3.81Å; K445-Y584 HydrophobicContact CD-CE1 4.41Å; K445-Y584 HydrophobicContact CD-CE2 3.38Å; K445-Y584 HydrophobicContact CD-CG 4.49Å; K445-F585 HydrophobicContact CB-CE2 3.84Å; K445-F585 HydrophobicContact CB-CZ 4.27Å
446	V	98.6	Very high	95.5	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	136.3	179.7	-174.6	0	0	0	0	108.8	I432 F433 V434 I448 E462 F463 L465 M478 L526	I432-V446 HydrophobicContact CG2-CG1 3.88Å; F433-V446 CarbonylContact O-C 3.33Å; F433-V446 WeakPolarHBondContact O-CA 3.43Å; F433-V446 WeakPolarHBondContact O-CG1 3.42Å; V434-V446 HydrophobicContact CG2-CG1 4.25Å; V434-V446 HydrophobicContact CG2-CG2 4.25Å; V446-I448 HydrophobicContact CG1-CD1 4.49Å; V446-I448 HydrophobicContact CG1-CG1 4.03Å; V446-E462 CarbonylContact O-C 3.53Å; V446-E462 WeakPolarHBondContact O-CA 3.24Å; V446-F463 HydrophobicContact CB-CB 4.44Å; V446-F463 PolarHBondContact N-O 3.16Å; V446-F463 PolarHBondContact O-N 3.39Å; V446-L465 HydrophobicContact CG2-CB 4.28Å; V446-L465 HydrophobicContact CG2-CD1 4.45Å; V446-M478 HydrophobicContact CB-CE 4.36Å; V446-M478 HydrophobicContact CG2-CE 4.43Å; V446-L526 HydrophobicContact CG1-CD1 4.33Å; V446-L526 HydrophobicContact CG1-CD2 3.99Å; V446-L526 HydrophobicContact CG2-CD2 4.24Å
447	L	98.5	Very high	95.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	126.4	170.8	-172.9	159.4	0	0	0	108.8	F433 T449 C460 F461 F585 V588 V589	F433-L447 HydrophobicContact CB-CB 4.37Å; F433-L447 HydrophobicContact CD2-CD2 3.94Å; F433-L447 PolarHBondContact N-O 2.94Å; F433-L447 PolarHBondContact O-N 2.79Å; L447-T449 HydrophobicContact CD2-CG2 4.09Å; L447-C460 HydrophobicContact CD1-CB 4.13Å; L447-C460 HydrophobicContact CD2-CB 4.06Å; L447-C460 HydrophobicContact CG-CB 4.28Å; L447-F461 WeakPolarHBondContact CA-O 3.33Å; L447-F585 HydrophobicContact CB-CD1 4.14Å; L447-F585 HydrophobicContact CB-CD2 3.82Å; L447-F585 HydrophobicContact CB-CE1 3.99Å; L447-F585 HydrophobicContact CB-CE2 3.65Å; L447-F585 HydrophobicContact CB-CG 4.09Å; L447-F585 HydrophobicContact CB-CZ 3.75Å; L447-F585 HydrophobicContact CD1-CB 3.84Å; L447-F585 HydrophobicContact CD1-CD1 4.37Å; L447-F585 HydrophobicContact CD1-CD2 3.95Å; L447-F585 HydrophobicContact CD1-CG 3.83Å; L447-V588 HydrophobicContact CD1-CG1 4.3Å; L447-V588 HydrophobicContact CD2-CG1 4.05Å; L447-V589 HydrophobicContact CD1-CG2 3.78Å
448	I	98.4	Very high	95.8	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	11%	0.112	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	131.5	178.6	-57.7	-178.2	0	0	0	108.1	I432 V446 F461 F463 I529 Q530 F534	I432-I448 HydrophobicContact CG1-CG1 4.32Å; I432-I448 HydrophobicContact CG1-CG2 4.38Å; I432-I448 HydrophobicContact CG2-CG1 4.22Å; V446-I448 HydrophobicContact CG1-CD1 4.49Å; V446-I448 HydrophobicContact CG1-CG1 4.03Å; I448-F461 PolarHBondContact N-O 3.14Å; I448-F461 PolarHBondContact O-N 2.63Å; I448-F463 HydrophobicContact CB-CE2 4.28Å; I448-F463 HydrophobicContact CD1-CD2 4.3Å; I448-F463 HydrophobicContact CD1-CE2 3.81Å; I448-F463 HydrophobicContact CD1-CZ 4.42Å; I448-F463 HydrophobicContact CG1-CD2 4.39Å; I448-F463 HydrophobicContact CG1-CE2 4.06Å; I448-I529 HydrophobicContact CD1-CB 4.12Å; I448-I529 HydrophobicContact CD1-CG2 3.62Å; I448-Q530 HydrophobicContact CG2-CG 3.47Å; I448-Q530 VanDerWaalsContact CG2-CG 3.47Å; I448-F534 HydrophobicContact CB-CE2 4.02Å; I448-F534 HydrophobicContact CD1-CE2 4.4Å; I448-F534 HydrophobicContact CG2-CD2 3.9Å; I448-F534 HydrophobicContact CG2-CE2 3.67Å
449	T	98.3	Very high	96.1	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	135.6	172.4	73.2	0	0	0	0	110.4	S431 F433 L447 G459	S431-T449 PolarHBondContact N-OG1 3.11Å; S431-T449 PolarHBondContact O-N 3.36Å; F433-T449 HydrophobicContact CD2-CG2 4.49Å; F433-T449 HydrophobicContact CE2-CG2 3.88Å; L447-T449 HydrophobicContact CD2-CG2 4.09Å; T449-G459 CarbonylContact C-O 3.45Å; T449-G459 VanDerWaalsContact CA-O 3.27Å; T449-G459 WeakPolarHBondContact CA-O 3.29Å
450	G	97.7	Very high	96.7	Very high	0 Å²	0	13.6 Å²	13.6	0%	0	7%	0.067	C	C	.	.	P	Polyproline II helix	trans	-71.4	131.7	-178	0	0	0	0	0	112.7	Y456 Q457 N458 G459	G450-Y456 WeakPolarHBondContact CA-O 3.29Å; G450-Q457 WeakPolarHBondContact O-CA 3.26Å; G450-N458 PolarHBondContact O-N 2.82Å; G450-G459 PolarHBondContact N-O 2.84Å
451	P	97.1	Very high	97.1	Very high	16 Å²	16	12.3 Å²	12.3	10%	0.104	6%	0.062	C	C	.	.	P	Polyproline II helix	trans	-66.6	153.1	-172.8	-17.2	29.1	0	0	0	114.5	N430 T454 Q457 F534	N430-P451 HydrophobicContact CB-CB 3.97Å; N430-P451 HydrophobicContact CB-CG 3.84Å; P451-T454 HydrophobicContact CB-CG2 3.93Å; P451-T454 HydrophobicContact CG-CG2 4.31Å; P451-T454 WeakPolarHBondContact O-CB 3.47Å; P451-T454 WeakPolarHBondContact O-CG2 3.48Å; P451-T454 PolarHBondContact O-N 3.07Å; P451-T454 PolarHBondContact O-OG1 2.75Å; P451-Q457 WeakPolarHBondContact O-CA 3.47Å; P451-Q457 WeakPolarHBondContact O-CB 3.42Å; P451-F534 HydrophobicContact CG-CB 4.23Å
452	D	95.3	Very high	97.4	Very high	46 Å²	46	12.6 Å²	12.6	25%	0.246	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	148.2	171.9	-70.5	-40.4	0	0	0	112.3	S429 T454 Q457 K596	S429-D452 VanDerWaalsContact CA-OD2 3.27Å; S429-D452 WeakPolarHBondContact CA-OD2 3.36Å; S429-D452 VanDerWaalsContact CB-OD2 3.26Å; S429-D452 WeakPolarHBondContact CB-OD2 3.4Å; S429-D452 PolarHBondContact OG-N 3.38Å; D452-T454 PolarHBondContact O-N 3.43Å; D452-Q457 VanDerWaalsContact OD1-CD 3.29Å; D452-Q457 WeakPolarHBondContact OD1-CG 3.46Å; D452-Q457 PolarHBondContact OD1-NE2 3.01Å; D452-K596 IonicContact OD1-NZ 3.78Å; D452-K596 IonicContact OD2-NZ 2.66Å
453	Q	94.1	Very high	97.6	Very high	133 Å²	133	12.6 Å²	12.6	62%	0.621	6%	0.063	S	C	*	.	T	Hydrogen-bonded Turn	trans	64	18.6	-177.6	-50.1	-59.7	-35	0	0	115	K536	Q453-K536 WeakPolarHBondContact O-CG 3.42Å
454	T	97.3	Very high	97.7	Very high	13 Å²	13	12.7 Å²	12.7	8%	0.08	6%	0.063	C	C	.	.	S	Bend	trans	-111.8	162.5	169.4	76.4	0	0	0	0	109.6	P451 D452 Y456 Q457 F534 K536	P451-T454 HydrophobicContact CB-CG2 3.93Å; P451-T454 HydrophobicContact CG-CG2 4.31Å; P451-T454 WeakPolarHBondContact O-CB 3.47Å; P451-T454 WeakPolarHBondContact O-CG2 3.48Å; P451-T454 PolarHBondContact O-N 3.07Å; P451-T454 PolarHBondContact O-OG1 2.75Å; D452-T454 PolarHBondContact O-N 3.43Å; T454-Y456 PolarHBondContact O-N 3.31Å; T454-Y456 WeakPolarHBondContact OG1-CB 3.37Å; T454-Y456 PolarHBondContact OG1-N 3.42Å; T454-Y456 VanDerWaalsContact OG1-N 3.14Å; T454-Q457 WeakPolarHBondContact O-CB 3.41Å; T454-Q457 PolarHBondContact O-N 2.89Å; T454-Q457 PolarHBondContact OG1-N 2.9Å; T454-F534 WeakPolarHBondContact CG2-O 3.23Å; T454-K536 HydrophobicContact CG2-CG 4.25Å
455	P	97	Very high	97.8	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.006	6%	0.063	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.7	-17	169.7	28.6	-36.4	0	0	0	113.2	V535 P538 N562 L565 R566 T569	P455-V535 WeakPolarHBondContact CD-O 3.46Å; P455-P538 HydrophobicContact CG-CG 3.75Å; P455-N562 HydrophobicContact CB-CB 4.39Å; P455-L565 HydrophobicContact CB-CB 3.92Å; P455-L565 HydrophobicContact CB-CD2 3.97Å; P455-L565 HydrophobicContact CB-CG 3.89Å; P455-L565 HydrophobicContact CG-CB 4.5Å; P455-L565 HydrophobicContact CG-CD2 3.66Å; P455-L565 HydrophobicContact CG-CG 4.13Å; P455-R566 HydrophobicContact CB-CG 4.12Å; P455-T569 PolarHBondContact O-OG1 3.41Å
456	Y	98.2	Very high	97.7	Very high	0 Å²	0	12.8 Å²	12.8	0%	0	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-7.6	-179.8	-53.5	-76.3	0	0	0	114.7	G450 T454 G459 F461 F490 N491 I533 F534 P538 L565 T569	G450-Y456 WeakPolarHBondContact CA-O 3.29Å; T454-Y456 PolarHBondContact O-N 3.31Å; T454-Y456 WeakPolarHBondContact OG1-CB 3.37Å; T454-Y456 PolarHBondContact OG1-N 3.42Å; T454-Y456 VanDerWaalsContact OG1-N 3.14Å; Y456-G459 PolarHBondContact O-N 3.26Å; Y456-F461 HydrophobicContact CD1-CE1 4.22Å; Y456-F461 HydrophobicContact CD1-CE2 4.34Å; Y456-F461 AromaticContact CD1-CZ 3.77Å; Y456-F461 HydrophobicContact CD1-CZ 3.77Å; Y456-F461 HydrophobicContact CG-CZ 4.35Å; Y456-F490 HydrophobicContact CD1-CD1 4.31Å; Y456-F490 HydrophobicContact CE1-CD1 4.12Å; Y456-F490 VanDerWaalsContact CE1-O 3.25Å; Y456-F490 WeakPolarHBondContact CE1-O 3.35Å; Y456-F490 PolarHBondContact OH-O 3.23Å; Y456-N491 WeakPolarHBondContact OH-CB 3.48Å; Y456-N491 PolarHBondContact OH-ND2 2.88Å; Y456-I533 WeakPolarHBondContact CE2-O 3.48Å; Y456-F534 AromaticContact CD1-CD1 3.59Å; Y456-F534 HydrophobicContact CD1-CD1 3.59Å; Y456-F534 AromaticContact CD1-CE1 3.95Å; Y456-F534 HydrophobicContact CD1-CE1 3.95Å; Y456-F534 HydrophobicContact CD2-CB 3.98Å; Y456-F534 AromaticContact CD2-CD1 3.85Å; Y456-F534 HydrophobicContact CD2-CD1 3.85Å; Y456-F534 HydrophobicContact CD2-CG 4.4Å; Y456-F534 AromaticContact CE1-CD1 3.85Å; Y456-F534 HydrophobicContact CE1-CD1 3.85Å; Y456-F534 HydrophobicContact CE1-CE1 4.16Å; Y456-F534 HydrophobicContact CE2-CB 4.49Å; Y456-F534 HydrophobicContact CE2-CD1 4.11Å; Y456-F534 HydrophobicContact CG-CB 4.32Å; Y456-F534 AromaticContact CG-CD1 3.58Å; Y456-F534 HydrophobicContact CG-CD1 3.58Å; Y456-F534 HydrophobicContact CG-CE1 4.35Å; Y456-F534 HydrophobicContact CG-CG 4.34Å; Y456-P538 HydrophobicContact CE2-CB 4.14Å; Y456-P538 HydrophobicContact CE2-CG 3.89Å; Y456-P538 VanDerWaalsContact OH-CB 3.29Å; Y456-P538 WeakPolarHBondContact OH-CB 3.19Å; Y456-L565 HydrophobicContact CE1-CD1 4.22Å; Y456-L565 HydrophobicContact CE1-CD2 3.87Å; Y456-L565 HydrophobicContact CE1-CG 4.2Å; Y456-L565 HydrophobicContact CE2-CD2 4.37Å; Y456-T569 WeakPolarHBondContact O-CG2 3.45Å
457	Q	97.8	Very high	97.7	Very high	36 Å²	36	12.8 Å²	12.8	17%	0.168	6%	0.064	C	C	.	.	T	Hydrogen-bonded Turn	trans	-46.1	137.8	-171.4	-178.7	170.7	-6.3	0	0	113.7	G450 P451 D452 T454 G459 Q603	G450-Q457 WeakPolarHBondContact O-CA 3.26Å; P451-Q457 WeakPolarHBondContact O-CA 3.47Å; P451-Q457 WeakPolarHBondContact O-CB 3.42Å; D452-Q457 VanDerWaalsContact OD1-CD 3.29Å; D452-Q457 WeakPolarHBondContact OD1-CG 3.46Å; D452-Q457 PolarHBondContact OD1-NE2 3.01Å; T454-Q457 WeakPolarHBondContact O-CB 3.41Å; T454-Q457 PolarHBondContact O-N 2.89Å; T454-Q457 PolarHBondContact OG1-N 2.9Å; Q457-G459 PolarHBondContact O-N 3.04Å; Q457-Q603 PolarHBondContact O-NE2 3.44Å; Q457-Q603 PolarHBondContact O-OE1 3.01Å
458	N	97.6	Very high	97.6	Very high	2 Å²	2	13.6 Å²	13.6	1%	0.011	7%	0.069	C	C	.	.	T	Hydrogen-bonded Turn	trans	60.8	-2.2	-175.6	-46.2	-58.3	0	0	0	116.3	G450 H592 K596 S599 I600 Q603	G450-N458 PolarHBondContact O-N 2.82Å; N458-H592 PolarHBondContact O-NE2 3.3Å; N458-K596 WeakPolarHBondContact OD1-CD 3.16Å; N458-S599 VanDerWaalsContact CG-OG 3.3Å; N458-S599 PolarHBondContact ND2-OG 3.33Å; N458-S599 PolarHBondContact OD1-OG 3.25Å; N458-I600 HydrophobicContact CB-CD1 4.04Å; N458-I600 HydrophobicContact CB-CG1 3.5Å; N458-I600 VanDerWaalsContact CB-CG1 3.5Å; N458-Q603 PolarHBondContact ND2-OE1 3.44Å
459	G	98	Very high	97.5	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	10%	0.095	C	C	.	.			trans	-77.5	140.2	-179.3	0	0	0	0	0	113.5	T449 G450 Y456 Q457 F461	T449-G459 CarbonylContact C-O 3.45Å; T449-G459 VanDerWaalsContact CA-O 3.27Å; T449-G459 WeakPolarHBondContact CA-O 3.29Å; G450-G459 PolarHBondContact N-O 2.84Å; Y456-G459 PolarHBondContact O-N 3.26Å; Q457-G459 PolarHBondContact O-N 3.04Å; G459-F461 VanDerWaalsContact O-CD2 3.29Å; G459-F461 WeakPolarHBondContact O-CD2 3.43Å; G459-F461 VanDerWaalsContact O-CE2 3.28Å; G459-F461 WeakPolarHBondContact O-CE2 3.25Å
460	C	98.4	Very high	97.4	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	108.2	173	-71.6	0	0	0	0	111	L447 A573 Q577 V589	L447-C460 HydrophobicContact CD1-CB 4.13Å; L447-C460 HydrophobicContact CD2-CB 4.06Å; L447-C460 HydrophobicContact CG-CB 4.28Å; C460-A573 WeakPolarHBondContact CB-O 3.44Å; C460-A573 PolarHBondContact N-O 3.32Å; C460-Q577 HydrophobicContact CB-CB 4.36Å; C460-Q577 HydrophobicContact CB-CG 4.02Å; C460-Q577 PolarHBondContact O-NE2 2.97Å; C460-V589 HydrophobicContact CB-CG2 4.28Å
461	F	98.4	Very high	97.3	Very high	0 Å²	0	19.6 Å²	19.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105	115	-176.2	-60.3	-79.2	0	0	0	110.9	L447 I448 Y456 G459 F463 F480 F490 F534 T569 A573	L447-F461 WeakPolarHBondContact CA-O 3.33Å; I448-F461 PolarHBondContact N-O 3.14Å; I448-F461 PolarHBondContact O-N 2.63Å; Y456-F461 HydrophobicContact CD1-CE1 4.22Å; Y456-F461 HydrophobicContact CD1-CE2 4.34Å; Y456-F461 AromaticContact CD1-CZ 3.77Å; Y456-F461 HydrophobicContact CD1-CZ 3.77Å; Y456-F461 HydrophobicContact CG-CZ 4.35Å; G459-F461 VanDerWaalsContact O-CD2 3.29Å; G459-F461 WeakPolarHBondContact O-CD2 3.43Å; G459-F461 VanDerWaalsContact O-CE2 3.28Å; G459-F461 WeakPolarHBondContact O-CE2 3.25Å; F461-F463 HydrophobicContact CB-CE2 3.99Å; F461-F463 WeakPolarHBondContact O-CD2 3.22Å; F461-F463 WeakPolarHBondContact O-CE2 3.47Å; F461-F480 HydrophobicContact CB-CE2 4.1Å; F461-F480 AromaticContact CD1-CE2 3.94Å; F461-F480 HydrophobicContact CD1-CE2 3.94Å; F461-F480 HydrophobicContact CD1-CZ 4.09Å; F461-F480 HydrophobicContact CG-CE2 4.5Å; F461-F490 AromaticContact CE1-CD1 3.75Å; F461-F490 HydrophobicContact CE1-CD1 3.75Å; F461-F490 AromaticContact CE1-CE1 3.63Å; F461-F490 HydrophobicContact CE1-CE1 3.63Å; F461-F490 HydrophobicContact CE1-CE2 4.39Å; F461-F490 HydrophobicContact CE1-CG 4.27Å; F461-F490 AromaticContact CE1-CZ 3.95Å; F461-F490 HydrophobicContact CE1-CZ 3.95Å; F461-F490 HydrophobicContact CZ-CD1 4.49Å; F461-F490 HydrophobicContact CZ-CE1 4.24Å; F461-F534 HydrophobicContact CB-CE1 4.44Å; F461-F534 HydrophobicContact CB-CE2 4.32Å; F461-F534 HydrophobicContact CB-CZ 3.67Å; F461-F534 HydrophobicContact CD1-CE1 4.13Å; F461-F534 HydrophobicContact CD1-CZ 4.18Å; F461-F534 AromaticContact CD2-CE1 3.97Å; F461-F534 HydrophobicContact CD2-CE1 3.97Å; F461-F534 HydrophobicContact CD2-CE2 4.32Å; F461-F534 AromaticContact CD2-CZ 3.8Å; F461-F534 HydrophobicContact CD2-CZ 3.8Å; F461-F534 HydrophobicContact CE1-CE1 4.42Å; F461-F534 HydrophobicContact CE2-CE1 4.3Å; F461-F534 AromaticContact CG-CE1 3.89Å; F461-F534 HydrophobicContact CG-CE1 3.89Å; F461-F534 HydrophobicContact CG-CE2 4.41Å; F461-F534 AromaticContact CG-CZ 3.59Å; F461-F534 HydrophobicContact CG-CZ 3.59Å; F461-T569 HydrophobicContact CZ-CG2 4.3Å; F461-A573 HydrophobicContact CD1-CB 4.1Å; F461-A573 HydrophobicContact CE1-CB 3.56Å; F461-A573 HydrophobicContact CE2-CB 4.34Å; F461-A573 HydrophobicContact CZ-CB 3.69Å
462	E	98.3	Very high	97.2	Very high	15 Å²	15	19.6 Å²	19.6	7%	0.07	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	143.9	-177.5	-161.5	-169.5	137.5	0	0	112.4	K445 V446 F480 L481 T482 Y584 F585	K445-E462 WeakPolarHBondContact CD-OE1 3.17Å; K445-E462 WeakPolarHBondContact CE-OE1 3.27Å; K445-E462 IonicContact NZ-OE1 3.72Å; K445-E462 PolarHBondContact NZ-OE1 3.26Å; V446-E462 CarbonylContact O-C 3.53Å; V446-E462 WeakPolarHBondContact O-CA 3.24Å; E462-F480 WeakPolarHBondContact O-CD2 3.45Å; E462-L481 HydrophobicContact CB-CB 4.43Å; E462-L481 HydrophobicContact CG-CD1 4.12Å; E462-L481 PolarHBondContact O-N 3.03Å; E462-L481 VanDerWaalsContact OE1-CD1 3.32Å; E462-L481 WeakPolarHBondContact OE1-CD1 3.45Å; E462-T482 PolarHBondContact N-OG1 3.22Å; E462-Y584 PolarHBondContact OE1-OH 2.93Å; E462-F585 HydrophobicContact CG-CD2 4.2Å; E462-F585 HydrophobicContact CG-CE2 4.11Å
463	F	98.6	Very high	97.2	Very high	0 Å²	0	25 Å²	25	0%	0	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.4	176.8	-55.1	-104	0	0	0	111.4	K445 V446 I448 F461 M478 T479 F480 L494 V500 I529 F534	K445-F463 CarbonylContact C-O 3.55Å; K445-F463 WeakPolarHBondContact CA-O 3.44Å; V446-F463 HydrophobicContact CB-CB 4.44Å; V446-F463 PolarHBondContact N-O 3.16Å; V446-F463 PolarHBondContact O-N 3.39Å; I448-F463 HydrophobicContact CB-CE2 4.28Å; I448-F463 HydrophobicContact CD1-CD2 4.3Å; I448-F463 HydrophobicContact CD1-CE2 3.81Å; I448-F463 HydrophobicContact CD1-CZ 4.42Å; I448-F463 HydrophobicContact CG1-CD2 4.39Å; I448-F463 HydrophobicContact CG1-CE2 4.06Å; F461-F463 HydrophobicContact CB-CE2 3.99Å; F461-F463 WeakPolarHBondContact O-CD2 3.22Å; F461-F463 WeakPolarHBondContact O-CE2 3.47Å; F463-M478 HydrophobicContact CB-CE 3.46Å; F463-M478 VanDerWaalsContact CB-CE 3.46Å; F463-M478 HydrophobicContact CB-CG 4.21Å; F463-M478 HydrophobicContact CD1-CE 3.79Å; F463-M478 HydrophobicContact CD1-CG 4.34Å; F463-M478 HydrophobicContact CD2-CE 4.14Å; F463-M478 HydrophobicContact CG-CE 3.56Å; F463-T479 CarbonylContact C-O 3.54Å; F463-T479 WeakPolarHBondContact CA-O 3.43Å; F463-T479 WeakPolarHBondContact CB-O 3.43Å; F463-F480 HydrophobicContact CD1-CB 3.76Å; F463-F480 AromaticContact CD1-CD2 3.96Å; F463-F480 HydrophobicContact CD1-CD2 3.96Å; F463-F480 HydrophobicContact CD1-CG 4.35Å; F463-F480 HydrophobicContact CE1-CB 3.74Å; F463-F480 AromaticContact CE1-CD2 3.57Å; F463-F480 HydrophobicContact CE1-CD2 3.57Å; F463-F480 HydrophobicContact CE1-CG 4.03Å; F463-F480 HydrophobicContact CE2-CD2 4.25Å; F463-F480 HydrophobicContact CG-CD2 4.46Å; F463-F480 AromaticContact CZ-CD2 3.73Å; F463-F480 HydrophobicContact CZ-CD2 3.73Å; F463-F480 HydrophobicContact CZ-CE2 4.35Å; F463-L494 HydrophobicContact CE1-CD2 4.01Å; F463-V500 HydrophobicContact CD1-CG2 4.09Å; F463-V500 HydrophobicContact CE1-CG2 4.07Å; F463-I529 HydrophobicContact CE1-CG2 4.47Å; F463-I529 HydrophobicContact CZ-CG2 3.95Å; F463-F534 HydrophobicContact CE2-CE2 4.43Å; F463-F534 HydrophobicContact CE2-CZ 4.3Å; F463-F534 HydrophobicContact CZ-CE2 4.25Å; F463-F534 AromaticContact CZ-CZ 3.93Å; F463-F534 HydrophobicContact CZ-CZ 3.93Å
464	D	98.5	Very high	97.3	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.011	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	140.8	160.1	-74.7	-31.1	0	0	0	109.8	Y390 S391 Y392 K445 M478 T479 L481	Y390-D464 HydrophobicContact CD2-CB 4.08Å; Y390-D464 VanDerWaalsContact CD2-CG 3.48Å; Y390-D464 WeakPolarHBondContact CD2-OD1 3.48Å; Y390-D464 HydrophobicContact CE2-CB 3.87Å; S391-D464 VanDerWaalsContact CB-OD2 3.24Å; S391-D464 WeakPolarHBondContact CB-OD2 3.28Å; S391-D464 PolarHBondContact N-OD2 2.71Å; S391-D464 PolarHBondContact OG-OD2 2.72Å; Y392-D464 HydrophobicContact CD2-CB 4.25Å; Y392-D464 HydrophobicContact CE2-CB 4.16Å; K445-D464 WeakPolarHBondContact CE-OD1 3.48Å; K445-D464 WeakPolarHBondContact CG-OD1 3.35Å; K445-D464 IonicContact NZ-OD1 2.83Å; K445-D464 PolarHBondContact NZ-OD1 3.32Å; D464-M478 CarbonylContact O-C 3.52Å; D464-M478 VanDerWaalsContact O-CA 3.27Å; D464-M478 WeakPolarHBondContact O-CA 3.48Å; D464-M478 WeakPolarHBondContact O-CG 3.31Å; D464-T479 PolarHBondContact N-O 3.08Å; D464-T479 PolarHBondContact O-N 2.7Å; D464-L481 HydrophobicContact CB-CD1 4.42Å; D464-L481 HydrophobicContact CB-CD2 4.48Å; D464-L481 WeakPolarHBondContact OD1-CD1 3.4Å
465	L	98.5	Very high	97.3	Very high	0 Å²	0	22 Å²	22	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	127.1	175.7	-175.5	150.7	0	0	0	111.6	Y390 M444 V446 F467 P476 K477 M478 L522 L525 L526	Y390-L465 PolarHBondContact OH-O 3.38Å; M444-L465 HydrophobicContact CB-CB 4.3Å; M444-L465 HydrophobicContact CB-CD2 4.31Å; M444-L465 PolarHBondContact N-O 3.19Å; M444-L465 PolarHBondContact O-N 3.31Å; M444-L465 VanDerWaalsContact O-O 3.13Å; M444-L465 HydrophobicContact SD-CD2 4.09Å; V446-L465 HydrophobicContact CG2-CB 4.28Å; V446-L465 HydrophobicContact CG2-CD1 4.45Å; L465-F467 HydrophobicContact CD2-CD2 3.98Å; L465-F467 HydrophobicContact CD2-CE1 4.48Å; L465-F467 HydrophobicContact CD2-CE2 3.3Å; L465-F467 HydrophobicContact CD2-CZ 3.61Å; L465-P476 HydrophobicContact CD1-CB 4.46Å; L465-P476 HydrophobicContact CD2-CB 4.21Å; L465-P476 HydrophobicContact CG-CB 4.22Å; L465-K477 WeakPolarHBondContact CA-O 3.41Å; L465-M478 HydrophobicContact CB-CG 4.45Å; L465-M478 HydrophobicContact CD1-CE 4.28Å; L465-M478 HydrophobicContact CD1-CG 4.43Å; L465-M478 HydrophobicContact CD1-SD 3.9Å; L465-L522 HydrophobicContact CD1-CD1 3.57Å; L465-L522 HydrophobicContact CD2-CD1 4.1Å; L465-L525 HydrophobicContact CD1-CD2 4.1Å; L465-L526 HydrophobicContact CD1-CD2 4.35Å
466	F	98.1	Very high	97.4	Very high	5 Å²	5	22 Å²	22	2%	0.022	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	135.5	-177.6	179.4	-115.9	0	0	0	112	Y390 Y392 E395 A396 L399 D442 I443 P468 P476 K477	Y390-F466 WeakPolarHBondContact OH-CB 3.41Å; Y392-F466 HydrophobicContact CD1-CB 4.39Å; Y392-F466 HydrophobicContact CD2-CB 3.48Å; Y392-F466 VanDerWaalsContact CD2-CB 3.48Å; Y392-F466 HydrophobicContact CD2-CG 4.49Å; Y392-F466 HydrophobicContact CE2-CB 4.28Å; Y392-F466 HydrophobicContact CG-CB 3.54Å; Y392-F466 HydrophobicContact CG-CD1 4.29Å; Y392-F466 HydrophobicContact CG-CG 4.1Å; E395-F466 HydrophobicContact CB-CD1 4.45Å; E395-F466 HydrophobicContact CB-CE1 3.68Å; E395-F466 HydrophobicContact CB-CZ 4.07Å; A396-F466 HydrophobicContact CB-CD2 4.48Å; A396-F466 HydrophobicContact CB-CE2 3.91Å; A396-F466 HydrophobicContact CB-CZ 4.46Å; L399-F466 HydrophobicContact CD2-CZ 3.99Å; D442-F466 WeakPolarHBondContact O-CD2 3.43Å; I443-F466 HydrophobicContact CG1-CD2 4.25Å; I443-F466 HydrophobicContact CG1-CE2 4.38Å; F466-P468 WeakPolarHBondContact O-CD 3.44Å; F466-P476 CarbonylContact O-C 3.57Å; F466-P476 WeakPolarHBondContact O-CA 3.36Å; F466-K477 HydrophobicContact CB-CB 4.47Å; F466-K477 HydrophobicContact CD1-CD 4.43Å; F466-K477 PolarHBondContact N-O 3.48Å; F466-K477 PolarHBondContact O-N 3.06Å
467	F	97.6	Very high	97.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	14%	0.141	C	C	.	.			trans	-89.6	116.1	174.1	-64	-93.4	0	0	0	110.2	R409 I413 D442 M444 L465 Y471 P476 L522	R409-F467 PolarHBondContact NH2-O 3.02Å; I413-F467 HydrophobicContact CD1-CB 3.52Å; I413-F467 HydrophobicContact CD1-CD1 4.16Å; I413-F467 HydrophobicContact CD1-CD2 4.27Å; I413-F467 HydrophobicContact CD1-CG 3.72Å; I413-F467 HydrophobicContact CG1-CB 4.16Å; I413-F467 HydrophobicContact CG1-CD1 3.82Å; I413-F467 HydrophobicContact CG1-CD2 4.37Å; I413-F467 HydrophobicContact CG1-CE1 4.31Å; I413-F467 HydrophobicContact CG1-CG 3.84Å; I413-F467 HydrophobicContact CG2-CD2 4.19Å; I413-F467 HydrophobicContact CG2-CE2 4.2Å; I413-F467 HydrophobicContact CG2-CG 4.49Å; I413-F467 HydrophobicContact CG2-CZ 4.48Å; D442-F467 HydrophobicContact CB-CB 4.16Å; D442-F467 PolarHBondContact O-N 3.31Å; D442-F467 VanDerWaalsContact O-N 3.14Å; M444-F467 HydrophobicContact CE-CE2 3.55Å; M444-F467 HydrophobicContact CE-CZ 4.07Å; M444-F467 HydrophobicContact CG-CE2 4.45Å; M444-F467 HydrophobicContact SD-CE2 3.88Å; M444-F467 HydrophobicContact SD-CZ 4.4Å; L465-F467 HydrophobicContact CD2-CD2 3.98Å; L465-F467 HydrophobicContact CD2-CE1 4.48Å; L465-F467 HydrophobicContact CD2-CE2 3.3Å; L465-F467 HydrophobicContact CD2-CZ 3.61Å; F467-Y471 HydrophobicContact CB-CD1 4.43Å; F467-Y471 HydrophobicContact CB-CG 4.28Å; F467-Y471 AromaticContact CD1-CD1 3.58Å; F467-Y471 HydrophobicContact CD1-CD1 3.58Å; F467-Y471 AromaticContact CD1-CD2 3.69Å; F467-Y471 HydrophobicContact CD1-CD2 3.69Å; F467-Y471 AromaticContact CD1-CE1 3.54Å; F467-Y471 HydrophobicContact CD1-CE1 3.54Å; F467-Y471 AromaticContact CD1-CE2 3.7Å; F467-Y471 HydrophobicContact CD1-CE2 3.7Å; F467-Y471 AromaticContact CD1-CG 3.66Å; F467-Y471 HydrophobicContact CD1-CG 3.66Å; F467-Y471 AromaticContact CD1-CZ 3.65Å; F467-Y471 HydrophobicContact CE1-CD1 4.32Å; F467-Y471 HydrophobicContact CE1-CD2 4.33Å; F467-Y471 AromaticContact CE1-CE1 3.81Å; F467-Y471 HydrophobicContact CE1-CE1 3.81Å; F467-Y471 AromaticContact CE1-CE2 3.87Å; F467-Y471 HydrophobicContact CE1-CE2 3.87Å; F467-Y471 AromaticContact CE1-CZ 3.61Å; F467-Y471 HydrophobicContact CG-CD1 4.4Å; F467-Y471 HydrophobicContact CG-CG 4.46Å; F467-P476 HydrophobicContact CD1-CB 4.38Å; F467-P476 HydrophobicContact CD1-CG 4.12Å; F467-P476 HydrophobicContact CE1-CB 4.36Å; F467-P476 HydrophobicContact CE1-CG 3.87Å; F467-L522 HydrophobicContact CZ-CD1 4.09Å; F467-L522 HydrophobicContact CZ-CD2 4.04Å
468	P	96.7	Very high	97.4	Very high	17 Å²	17	24.8 Å²	24.8	11%	0.11	14%	0.136	C	C	.	.			trans	-68.6	169.4	178.1	30.5	-37.3	0	0	0	112.5	R409 F466 G470 Y471 T474 P475	R409-P468 PolarHBondContact NE-O 3.12Å; F466-P468 WeakPolarHBondContact O-CD 3.44Å; P468-G470 PolarHBondContact O-N 3.26Å; P468-Y471 VanDerWaalsContact O-CB 3.3Å; P468-Y471 WeakPolarHBondContact O-CB 3.3Å; P468-Y471 PolarHBondContact O-N 3.33Å; P468-Y471 VanDerWaalsContact O-N 3.15Å; P468-T474 WeakPolarHBondContact CG-OG1 3.27Å; P468-P475 VanDerWaalsContact CD-O 3.3Å; P468-P475 WeakPolarHBondContact CD-O 3.41Å; P468-P475 WeakPolarHBondContact CG-O 3.35Å
469	V	95.8	Very high	97.4	Very high	90 Å²	90	25.7 Å²	25.7	55%	0.545	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53	-40.4	175.2	172.5	0	0	0	0	112.6	L399 L406 R409 Y471	L399-V469 HydrophobicContact CD1-CG2 3.65Å; L399-V469 HydrophobicContact CD2-CG2 4.02Å; L399-V469 HydrophobicContact CG-CG2 4.41Å; L406-V469 HydrophobicContact CD2-CG1 4.16Å; R409-V469 WeakPolarHBondContact CD-O 3.35Å; V469-Y471 VanDerWaalsContact C-N 3.28Å; V469-Y471 PolarHBondContact O-N 2.78Å
470	G	95.4	Very high	97.5	Very high	32 Å²	32	25.8 Å²	25.8	33%	0.33	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	-0.7	-177.6	0	0	0	0	0	115.4	P468 F473 T474	P468-G470 PolarHBondContact O-N 3.26Å; G470-F473 CarbonylContact O-C 3.57Å; G470-F473 WeakPolarHBondContact O-CA 3.47Å; G470-F473 WeakPolarHBondContact O-CB 3.47Å; G470-F473 PolarHBondContact O-N 3.39Å; G470-T474 VanDerWaalsContact C-OG1 3.32Å; G470-T474 WeakPolarHBondContact CA-OG1 3.41Å; G470-T474 PolarHBondContact O-N 2.97Å; G470-T474 VanDerWaalsContact O-N 3.11Å
471	Y	96.8	Very high	97.4	Very high	4 Å²	4	28.3 Å²	28.3	2%	0.016	16%	0.156	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	132.6	-179.9	-175.8	-97.1	0	0	0	111.4	R409 R412 I413 E416 F467 P468 V469 T474 P476 W516	R409-Y471 WeakPolarHBondContact CB-O 3.44Å; R409-Y471 WeakPolarHBondContact CG-O 3.29Å; R412-Y471 HydrophobicContact CG-CE1 3.79Å; I413-Y471 HydrophobicContact CD1-CD1 4.15Å; I413-Y471 HydrophobicContact CG1-CD1 3.64Å; I413-Y471 HydrophobicContact CG1-CE1 3.68Å; E416-Y471 VanDerWaalsContact CG-OH 3.24Å; E416-Y471 WeakPolarHBondContact CG-OH 3.48Å; E416-Y471 PolarHBondContact OE1-OH 3.45Å; F467-Y471 HydrophobicContact CB-CD1 4.43Å; F467-Y471 HydrophobicContact CB-CG 4.28Å; F467-Y471 AromaticContact CD1-CD1 3.58Å; F467-Y471 HydrophobicContact CD1-CD1 3.58Å; F467-Y471 AromaticContact CD1-CD2 3.69Å; F467-Y471 HydrophobicContact CD1-CD2 3.69Å; F467-Y471 AromaticContact CD1-CE1 3.54Å; F467-Y471 HydrophobicContact CD1-CE1 3.54Å; F467-Y471 AromaticContact CD1-CE2 3.7Å; F467-Y471 HydrophobicContact CD1-CE2 3.7Å; F467-Y471 AromaticContact CD1-CG 3.66Å; F467-Y471 HydrophobicContact CD1-CG 3.66Å; F467-Y471 AromaticContact CD1-CZ 3.65Å; F467-Y471 HydrophobicContact CE1-CD1 4.32Å; F467-Y471 HydrophobicContact CE1-CD2 4.33Å; F467-Y471 AromaticContact CE1-CE1 3.81Å; F467-Y471 HydrophobicContact CE1-CE1 3.81Å; F467-Y471 AromaticContact CE1-CE2 3.87Å; F467-Y471 HydrophobicContact CE1-CE2 3.87Å; F467-Y471 AromaticContact CE1-CZ 3.61Å; F467-Y471 HydrophobicContact CG-CD1 4.4Å; F467-Y471 HydrophobicContact CG-CG 4.46Å; P468-Y471 VanDerWaalsContact O-CB 3.3Å; P468-Y471 WeakPolarHBondContact O-CB 3.3Å; P468-Y471 PolarHBondContact O-N 3.33Å; P468-Y471 VanDerWaalsContact O-N 3.15Å; V469-Y471 VanDerWaalsContact C-N 3.28Å; V469-Y471 PolarHBondContact O-N 2.78Å; Y471-T474 WeakPolarHBondContact CD2-O 3.32Å; Y471-P476 HydrophobicContact CD2-CG 4.23Å; Y471-P476 HydrophobicContact CE2-CG 3.86Å; Y471-W516 HydrophobicContact CD2-CZ2 4.24Å; Y471-W516 AromaticContact CE2-CH2 3.8Å; Y471-W516 HydrophobicContact CE2-CH2 3.8Å; Y471-W516 AromaticContact CE2-CZ2 3.49Å; Y471-W516 HydrophobicContact CE2-CZ2 3.49Å; Y471-W516 VanDerWaalsContact CE2-CZ2 3.49Å
472	P	94.3	Very high	97.4	Very high	16 Å²	16	28.8 Å²	28.8	10%	0.104	16%	0.159	C	C	.	.	T	Hydrogen-bonded Turn	cis	-92	3.6	12.1	37.6	-38.4	0	0	0	116.1	R412 T474 W516 P518	R412-P472 HydrophobicContact CG-CB 4.17Å; R412-P472 HydrophobicContact CG-CG 4.15Å; P472-T474 VanDerWaalsContact C-N 3.26Å; P472-T474 PolarHBondContact O-N 3.29Å; P472-W516 PolarHBondContact O-NE1 2.95Å; P472-P518 HydrophobicContact CG-CB 4.49Å; P472-P518 WeakPolarHBondContact O-CA 3.32Å
473	F	95.4	Very high	97.3	Very high	159 Å²	159	28.7 Å²	28.7	70%	0.697	16%	0.159	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	-18.4	178.8	-54.7	-81.2	0	0	0	113.4	G470 P518	G470-F473 CarbonylContact O-C 3.57Å; G470-F473 WeakPolarHBondContact O-CA 3.47Å; G470-F473 WeakPolarHBondContact O-CB 3.47Å; G470-F473 PolarHBondContact O-N 3.39Å; F473-P518 HydrophobicContact CD1-CB 4.39Å; F473-P518 HydrophobicContact CD1-CG 3.68Å; F473-P518 HydrophobicContact CE1-CB 4.48Å; F473-P518 HydrophobicContact CE1-CG 4.07Å
474	T	96.2	Very high	97	Very high	62 Å²	62	31.3 Å²	31.3	38%	0.38	17%	0.173	S	C	.	.	S	Bend	trans	-119.3	148.9	165.2	53.7	0	0	0	0	110.9	P468 G470 Y471 P472	P468-T474 WeakPolarHBondContact CG-OG1 3.27Å; G470-T474 VanDerWaalsContact C-OG1 3.32Å; G470-T474 WeakPolarHBondContact CA-OG1 3.41Å; G470-T474 PolarHBondContact O-N 2.97Å; G470-T474 VanDerWaalsContact O-N 3.11Å; Y471-T474 WeakPolarHBondContact CD2-O 3.32Å; P472-T474 VanDerWaalsContact C-N 3.26Å; P472-T474 PolarHBondContact O-N 3.29Å
475	P	97.6	Very high	96.8	Very high	20 Å²	20	35.5 Å²	35.5	13%	0.13	22%	0.217	C	C	.	.	P	Polyproline II helix	trans	-64.4	158.5	-178.9	23.1	-32.2	0	0	0	112.7	P468 N506 W516	P468-P475 VanDerWaalsContact CD-O 3.3Å; P468-P475 WeakPolarHBondContact CD-O 3.41Å; P468-P475 WeakPolarHBondContact CG-O 3.35Å; P475-N506 HydrophobicContact CG-CB 4.48Å; P475-W516 HydrophobicContact CB-CB 3.86Å; P475-W516 HydrophobicContact CB-CD2 3.66Å; P475-W516 HydrophobicContact CB-CE3 4Å; P475-W516 HydrophobicContact CB-CG 3.54Å; P475-W516 HydrophobicContact CG-CB 4.1Å; P475-W516 HydrophobicContact CG-CG 4.1Å
476	P	98.2	Very high	96.5	Very high	3 Å²	3	37 Å²	37	2%	0.019	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-54.9	144.2	162	-18.8	32.1	0	0	0	110.4	L465 F466 F467 Y471 L505 W516 L525	L465-P476 HydrophobicContact CD1-CB 4.46Å; L465-P476 HydrophobicContact CD2-CB 4.21Å; L465-P476 HydrophobicContact CG-CB 4.22Å; F466-P476 CarbonylContact O-C 3.57Å; F466-P476 WeakPolarHBondContact O-CA 3.36Å; F467-P476 HydrophobicContact CD1-CB 4.38Å; F467-P476 HydrophobicContact CD1-CG 4.12Å; F467-P476 HydrophobicContact CE1-CB 4.36Å; F467-P476 HydrophobicContact CE1-CG 3.87Å; Y471-P476 HydrophobicContact CD2-CG 4.23Å; Y471-P476 HydrophobicContact CE2-CG 3.86Å; P476-L505 WeakPolarHBondContact O-CD2 3.12Å; P476-W516 HydrophobicContact CG-CH2 4.43Å; P476-L525 HydrophobicContact CB-CD2 4.24Å; P476-L525 HydrophobicContact CG-CD2 4.11Å
477	K	98.4	Very high	96.2	Very high	81 Å²	81	43.6 Å²	43.6	35%	0.352	26%	0.263	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.2	143.1	165.4	-56	-167	178.7	-168.3	0	109.1	Y392 E395 L465 F466	Y392-K477 HydrophobicContact CD1-CB 4.14Å; Y392-K477 HydrophobicContact CD1-CD 3.64Å; Y392-K477 HydrophobicContact CE1-CB 3.52Å; Y392-K477 HydrophobicContact CE1-CD 3.4Å; Y392-K477 HydrophobicContact CE1-CG 4.14Å; Y392-K477 HydrophobicContact CE2-CB 4.03Å; Y392-K477 VanDerWaalsContact CZ-CB 3.45Å; E395-K477 IonicContact OE1-NZ 3.75Å; E395-K477 PolarHBondContact OE1-NZ 3.11Å; L465-K477 WeakPolarHBondContact CA-O 3.41Å; F466-K477 HydrophobicContact CB-CB 4.47Å; F466-K477 HydrophobicContact CD1-CD 4.43Å; F466-K477 PolarHBondContact N-O 3.48Å; F466-K477 PolarHBondContact O-N 3.06Å
478	M	98.4	Very high	96	Very high	12 Å²	12	45.5 Å²	45.5	6%	0.059	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	131.4	179.7	-161.9	165.3	-174.5	0	0	111.7	Y392 V446 F463 D464 L465 L505 L525 L526 I529	Y392-M478 PolarHBondContact OH-N 3.11Å; Y392-M478 PolarHBondContact OH-O 2.78Å; V446-M478 HydrophobicContact CB-CE 4.36Å; V446-M478 HydrophobicContact CG2-CE 4.43Å; F463-M478 HydrophobicContact CB-CE 3.46Å; F463-M478 VanDerWaalsContact CB-CE 3.46Å; F463-M478 HydrophobicContact CB-CG 4.21Å; F463-M478 HydrophobicContact CD1-CE 3.79Å; F463-M478 HydrophobicContact CD1-CG 4.34Å; F463-M478 HydrophobicContact CD2-CE 4.14Å; F463-M478 HydrophobicContact CG-CE 3.56Å; D464-M478 CarbonylContact O-C 3.52Å; D464-M478 VanDerWaalsContact O-CA 3.27Å; D464-M478 WeakPolarHBondContact O-CA 3.48Å; D464-M478 WeakPolarHBondContact O-CG 3.31Å; L465-M478 HydrophobicContact CB-CG 4.45Å; L465-M478 HydrophobicContact CD1-CE 4.28Å; L465-M478 HydrophobicContact CD1-CG 4.43Å; L465-M478 HydrophobicContact CD1-SD 3.9Å; M478-L505 HydrophobicContact CB-CD1 4.28Å; M478-L505 HydrophobicContact CB-CD2 4.45Å; M478-L525 HydrophobicContact SD-CD2 4.26Å; M478-L525 HydrophobicContact SD-CG 4.44Å; M478-L526 HydrophobicContact CE-CD2 3.74Å; M478-L526 HydrophobicContact SD-CD2 4.4Å; M478-I529 HydrophobicContact CE-CD1 3.49Å; M478-I529 VanDerWaalsContact CE-CD1 3.49Å; M478-I529 HydrophobicContact SD-CD1 3.38Å; M478-I529 WeakPolarHBondContact SD-CD1 3.37Å
479	T	98.5	Very high	95.9	Very high	22 Å²	22	48.4 Å²	48.4	14%	0.135	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	131.5	176.5	-48.1	0	0	0	0	109.3	S391 Y392 F463 D464 L481 G498	S391-T479 WeakPolarHBondContact CB-OG1 3.26Å; S391-T479 WeakPolarHBondContact OG-CB 3.48Å; S391-T479 PolarHBondContact OG-OG1 2.74Å; Y392-T479 WeakPolarHBondContact CE2-OG1 3.47Å; Y392-T479 PolarHBondContact OH-N 2.97Å; Y392-T479 PolarHBondContact OH-OG1 3.14Å; F463-T479 CarbonylContact C-O 3.54Å; F463-T479 WeakPolarHBondContact CA-O 3.43Å; F463-T479 WeakPolarHBondContact CB-O 3.43Å; D464-T479 PolarHBondContact N-O 3.08Å; D464-T479 PolarHBondContact O-N 2.7Å; T479-L481 HydrophobicContact CG2-CD2 4.02Å; T479-G498 CarbonylContact C-O 3.59Å; T479-G498 WeakPolarHBondContact CA-O 3.39Å
480	F	98.5	Very high	95.8	Very high	2 Å²	2	44.1 Å²	44.1	1%	0.009	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	132	169.5	173.6	-120.1	0	0	0	110.7	F461 E462 F463 T482 T483 F490 L494 G498 V500	F461-F480 HydrophobicContact CB-CE2 4.1Å; F461-F480 AromaticContact CD1-CE2 3.94Å; F461-F480 HydrophobicContact CD1-CE2 3.94Å; F461-F480 HydrophobicContact CD1-CZ 4.09Å; F461-F480 HydrophobicContact CG-CE2 4.5Å; E462-F480 WeakPolarHBondContact O-CD2 3.45Å; F463-F480 HydrophobicContact CD1-CB 3.76Å; F463-F480 AromaticContact CD1-CD2 3.96Å; F463-F480 HydrophobicContact CD1-CD2 3.96Å; F463-F480 HydrophobicContact CD1-CG 4.35Å; F463-F480 HydrophobicContact CE1-CB 3.74Å; F463-F480 AromaticContact CE1-CD2 3.57Å; F463-F480 HydrophobicContact CE1-CD2 3.57Å; F463-F480 HydrophobicContact CE1-CG 4.03Å; F463-F480 HydrophobicContact CE2-CD2 4.25Å; F463-F480 HydrophobicContact CG-CD2 4.46Å; F463-F480 AromaticContact CZ-CD2 3.73Å; F463-F480 HydrophobicContact CZ-CD2 3.73Å; F463-F480 HydrophobicContact CZ-CE2 4.35Å; F480-T482 VanDerWaalsContact CZ-O 3.27Å; F480-T482 WeakPolarHBondContact CZ-O 3.27Å; F480-T483 HydrophobicContact CD1-CG2 3.47Å; F480-T483 VanDerWaalsContact CD1-CG2 3.47Å; F480-T483 HydrophobicContact CE1-CG2 3.67Å; F480-T483 HydrophobicContact CG-CG2 4.43Å; F480-F490 HydrophobicContact CE1-CB 3.91Å; F480-F490 AromaticContact CE1-CD2 3.85Å; F480-F490 HydrophobicContact CE1-CD2 3.85Å; F480-F490 HydrophobicContact CE1-CG 4.26Å; F480-F490 HydrophobicContact CZ-CB 4.03Å; F480-F490 AromaticContact CZ-CD2 3.64Å; F480-F490 HydrophobicContact CZ-CD2 3.64Å; F480-F490 HydrophobicContact CZ-CE2 4.4Å; F480-F490 HydrophobicContact CZ-CG 4.04Å; F480-L494 HydrophobicContact CB-CD2 4.02Å; F480-L494 HydrophobicContact CD1-CB 3.98Å; F480-L494 HydrophobicContact CD1-CD1 4.23Å; F480-L494 HydrophobicContact CD1-CD2 4.34Å; F480-L494 HydrophobicContact CD1-CG 4.41Å; F480-L494 HydrophobicContact CD2-CD1 4.31Å; F480-L494 HydrophobicContact CE1-CB 4.25Å; F480-L494 HydrophobicContact CE1-CD1 4.17Å; F480-L494 HydrophobicContact CE2-CD1 4.26Å; F480-L494 HydrophobicContact CG-CD1 4.29Å; F480-L494 HydrophobicContact CG-CD2 4.06Å; F480-L494 HydrophobicContact CZ-CD1 4.18Å; F480-G498 PolarHBondContact N-O 3.49Å; F480-G498 WeakPolarHBondContact O-CA 3.37Å; F480-V500 HydrophobicContact CB-CG2 3.98Å
481	L	97.7	Very high	95.9	Very high	53 Å²	53	42.6 Å²	42.6	28%	0.277	24%	0.24	S	C	.	.			trans	-111.1	-19.7	-169.3	-53.8	178.9	0	0	0	113.9	K445 E462 D464 T479 T483	K445-L481 VanDerWaalsContact NZ-CD1 3.28Å; E462-L481 HydrophobicContact CB-CB 4.43Å; E462-L481 HydrophobicContact CG-CD1 4.12Å; E462-L481 PolarHBondContact O-N 3.03Å; E462-L481 VanDerWaalsContact OE1-CD1 3.32Å; E462-L481 WeakPolarHBondContact OE1-CD1 3.45Å; D464-L481 HydrophobicContact CB-CD1 4.42Å; D464-L481 HydrophobicContact CB-CD2 4.48Å; D464-L481 WeakPolarHBondContact OD1-CD1 3.4Å; T479-L481 HydrophobicContact CG2-CD2 4.02Å; L481-T483 PolarHBondContact O-N 3.2Å
482	T	97.4	Very high	95.8	Very high	10 Å²	10	42.6 Å²	42.6	6%	0.061	24%	0.24	C	C	.	.			trans	-80.8	52	-178	-45.4	0	0	0	0	110.9	E462 F480 F490 V572 A573	E462-T482 PolarHBondContact N-OG1 3.22Å; F480-T482 VanDerWaalsContact CZ-O 3.27Å; F480-T482 WeakPolarHBondContact CZ-O 3.27Å; T482-F490 HydrophobicContact CG2-CE2 4.34Å; T482-F490 WeakPolarHBondContact O-CD2 3.18Å; T482-F490 WeakPolarHBondContact O-CE2 3.49Å; T482-V572 HydrophobicContact CG2-CG1 3.84Å; T482-A573 HydrophobicContact CG2-CB 4.2Å
483	T	95.7	Very high	95.9	Very high	13 Å²	13	42.3 Å²	42.3	8%	0.08	24%	0.238	C	C	.	.	S	Bend	trans	-102.2	9.8	-173.7	59.8	0	0	0	0	114.4	F480 L481 G486 E487 L488 Q496	F480-T483 HydrophobicContact CD1-CG2 3.47Å; F480-T483 VanDerWaalsContact CD1-CG2 3.47Å; F480-T483 HydrophobicContact CE1-CG2 3.67Å; F480-T483 HydrophobicContact CG-CG2 4.43Å; L481-T483 PolarHBondContact O-N 3.2Å; T483-G486 CarbonylContact O-C 3.55Å; T483-G486 PolarHBondContact O-N 2.89Å; T483-G486 VanDerWaalsContact O-N 3.16Å; T483-G486 PolarHBondContact OG1-N 2.82Å; T483-E487 PolarHBondContact O-N 3.17Å; T483-E487 VanDerWaalsContact O-N 3.1Å; T483-L488 PolarHBondContact O-N 3.1Å; T483-Q496 WeakPolarHBondContact CB-O 3.38Å
484	N	94	Very high	95.9	Very high	55 Å²	55	34.8 Å²	34.8	29%	0.294	21%	0.205	S	C	.	.	G	3₁₀ helix	trans	50.3	57.2	-171.6	-157.9	70.5	0	0	0	112.7	G486 E487 L488 V572	N484-G486 PolarHBondContact O-N 3.01Å; N484-G486 VanDerWaalsContact O-N 3.1Å; N484-E487 PolarHBondContact ND2-OE2 3Å; N484-E487 WeakPolarHBondContact O-CG 3.1Å; N484-E487 PolarHBondContact O-N 3.01Å; N484-L488 HydrophobicContact CB-CB 4.21Å; N484-V572 HydrophobicContact CB-CG1 4.06Å; N484-V572 HydrophobicContact CB-CG2 4.07Å
485	G	92.6	Very high	95.9	Very high	90 Å²	90	35.1 Å²	35.1	93%	0.928	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	68.7	6.9	-179.2	0	0	0	0	0	115.3
486	G	93.3	Very high	95.7	Very high	31 Å²	31	38.9 Å²	38.9	32%	0.32	22%	0.216	S	C	.	.	G	3₁₀ helix	trans	107.8	3	-176.7	0	0	0	0	0	114.6	T483 N484 Q496	T483-G486 CarbonylContact O-C 3.55Å; T483-G486 PolarHBondContact O-N 2.89Å; T483-G486 VanDerWaalsContact O-N 3.16Å; T483-G486 PolarHBondContact OG1-N 2.82Å; N484-G486 PolarHBondContact O-N 3.01Å; N484-G486 VanDerWaalsContact O-N 3.1Å; G486-Q496 WeakPolarHBondContact CA-O 3.32Å; G486-Q496 VanDerWaalsContact O-CB 3.29Å; G486-Q496 WeakPolarHBondContact O-CB 3.41Å; G486-Q496 WeakPolarHBondContact O-CG 3.44Å
487	E	92.1	Very high	95.6	Very high	143 Å²	143	44.4 Å²	44.4	67%	0.668	25%	0.245	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.3	-24.9	-177.9	-62.6	179.1	151.9	0	0	113.5	T483 N484 Q496	T483-E487 PolarHBondContact O-N 3.17Å; T483-E487 VanDerWaalsContact O-N 3.1Å; N484-E487 PolarHBondContact ND2-OE2 3Å; N484-E487 WeakPolarHBondContact O-CG 3.1Å; N484-E487 PolarHBondContact O-N 3.01Å; E487-Q496 PolarHBondContact O-NE2 3.35Å
488	L	92.1	Very high	95.6	Very high	40 Å²	40	40.7 Å²	40.7	21%	0.209	23%	0.229	C	C	.	.			trans	-117.3	123.3	-164.9	179.9	59.8	0	0	0	114.5	T483 N484 F490 A568 V572	T483-L488 PolarHBondContact O-N 3.1Å; N484-L488 HydrophobicContact CB-CB 4.21Å; L488-F490 HydrophobicContact CD2-CD2 3.69Å; L488-F490 HydrophobicContact CD2-CE1 4.45Å; L488-F490 HydrophobicContact CD2-CE2 3.24Å; L488-F490 HydrophobicContact CD2-CG 4.5Å; L488-F490 HydrophobicContact CD2-CZ 3.68Å; L488-F490 HydrophobicContact CG-CD2 3.9Å; L488-F490 HydrophobicContact CG-CE2 3.99Å; L488-A568 HydrophobicContact CD1-CB 4.18Å; L488-A568 HydrophobicContact CD2-CB 3.92Å; L488-V572 HydrophobicContact CD2-CB 4.31Å; L488-V572 HydrophobicContact CD2-CG2 3.76Å
489	R	94.6	Very high	95.5	Very high	79 Å²	79	44.2 Å²	44.2	30%	0.298	24%	0.244	S	C	.	.			trans	-92.9	97.6	171	-171.1	-177.4	-176.1	-154.8	3.1	110.4	N491 P492 L494 Q496 E542	R489-N491 VanDerWaalsContact C-N 3.33Å; R489-N491 WeakPolarHBondContact CG-O 3.36Å; R489-N491 PolarHBondContact O-N 3.36Å; R489-P492 VanDerWaalsContact NH2-CA 3.28Å; R489-P492 PolarHBondContact NH2-O 2.63Å; R489-L494 VanDerWaalsContact CG-O 3.28Å; R489-L494 WeakPolarHBondContact CG-O 3.24Å; R489-Q496 HydrophobicContact CB-CG 4.15Å; R489-E542 IonicContact CZ-OE2 3.13Å; R489-E542 VanDerWaalsContact CZ-OE2 3.26Å; R489-E542 IonicContact NH1-OE2 3.08Å; R489-E542 PolarHBondContact NH1-OE2 2.92Å; R489-E542 IonicContact NH2-OE1 3.88Å; R489-E542 PolarHBondContact NH2-OE1 3.14Å; R489-E542 IonicContact NH2-OE2 3.71Å; R489-E542 PolarHBondContact NH2-OE2 3.17Å
490	F	94.7	Very high	95.5	Very high	0 Å²	0	43.3 Å²	43.3	0%	0	24%	0.239	C	C	.	.			trans	-72.3	-17.5	-175.1	-103.7	-75.5	0	0	0	115.1	Y456 F461 F480 T482 L488 L494 L565 A568 V572 A573	Y456-F490 HydrophobicContact CD1-CD1 4.31Å; Y456-F490 HydrophobicContact CE1-CD1 4.12Å; Y456-F490 VanDerWaalsContact CE1-O 3.25Å; Y456-F490 WeakPolarHBondContact CE1-O 3.35Å; Y456-F490 PolarHBondContact OH-O 3.23Å; F461-F490 AromaticContact CE1-CD1 3.75Å; F461-F490 HydrophobicContact CE1-CD1 3.75Å; F461-F490 AromaticContact CE1-CE1 3.63Å; F461-F490 HydrophobicContact CE1-CE1 3.63Å; F461-F490 HydrophobicContact CE1-CE2 4.39Å; F461-F490 HydrophobicContact CE1-CG 4.27Å; F461-F490 AromaticContact CE1-CZ 3.95Å; F461-F490 HydrophobicContact CE1-CZ 3.95Å; F461-F490 HydrophobicContact CZ-CD1 4.49Å; F461-F490 HydrophobicContact CZ-CE1 4.24Å; F480-F490 HydrophobicContact CE1-CB 3.91Å; F480-F490 AromaticContact CE1-CD2 3.85Å; F480-F490 HydrophobicContact CE1-CD2 3.85Å; F480-F490 HydrophobicContact CE1-CG 4.26Å; F480-F490 HydrophobicContact CZ-CB 4.03Å; F480-F490 AromaticContact CZ-CD2 3.64Å; F480-F490 HydrophobicContact CZ-CD2 3.64Å; F480-F490 HydrophobicContact CZ-CE2 4.4Å; F480-F490 HydrophobicContact CZ-CG 4.04Å; T482-F490 HydrophobicContact CG2-CE2 4.34Å; T482-F490 WeakPolarHBondContact O-CD2 3.18Å; T482-F490 WeakPolarHBondContact O-CE2 3.49Å; L488-F490 HydrophobicContact CD2-CD2 3.69Å; L488-F490 HydrophobicContact CD2-CE1 4.45Å; L488-F490 HydrophobicContact CD2-CE2 3.24Å; L488-F490 HydrophobicContact CD2-CG 4.5Å; L488-F490 HydrophobicContact CD2-CZ 3.68Å; L488-F490 HydrophobicContact CG-CD2 3.9Å; L488-F490 HydrophobicContact CG-CE2 3.99Å; F490-L494 HydrophobicContact CB-CB 4.41Å; F490-L494 HydrophobicContact CB-CD1 4.21Å; F490-L494 PolarHBondContact N-O 3.36Å; F490-L565 HydrophobicContact CD1-CD1 3.49Å; F490-L565 VanDerWaalsContact CD1-CD1 3.49Å; F490-L565 HydrophobicContact CE1-CD1 3.97Å; F490-L565 HydrophobicContact CG-CD1 4.37Å; F490-L565 WeakPolarHBondContact O-CD1 3.35Å; F490-A568 HydrophobicContact CE1-CB 4.38Å; F490-A568 HydrophobicContact CZ-CB 4.43Å; F490-V572 HydrophobicContact CE2-CB 4.17Å; F490-V572 HydrophobicContact CE2-CG1 4.34Å; F490-V572 HydrophobicContact CZ-CB 4.18Å; F490-A573 HydrophobicContact CZ-CB 4.29Å
491	N	96.5	Very high	95.4	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.238	C	C	.	.	B	Isolated β-bridge	trans	-161.8	157.2	179.5	-176.4	-86.5	0	0	0	108.5	Y456 R489 N493 L494 I533 P538 N541	Y456-N491 WeakPolarHBondContact OH-CB 3.48Å; Y456-N491 PolarHBondContact OH-ND2 2.88Å; R489-N491 VanDerWaalsContact C-N 3.33Å; R489-N491 WeakPolarHBondContact CG-O 3.36Å; R489-N491 PolarHBondContact O-N 3.36Å; N491-N493 PolarHBondContact O-N 3.47Å; N491-N493 VanDerWaalsContact O-N 3.12Å; N491-N493 WeakPolarHBondContact OD1-CA 3.11Å; N491-N493 VanDerWaalsContact OD1-CB 3.28Å; N491-N493 WeakPolarHBondContact OD1-CB 3.46Å; N491-N493 PolarHBondContact OD1-N 3.3Å; N491-N493 PolarHBondContact OD1-OD1 2.9Å; N491-L494 HydrophobicContact CB-CB 3.94Å; N491-L494 HydrophobicContact CB-CD1 4.22Å; N491-L494 HydrophobicContact CB-CG 3.99Å; N491-L494 CarbonylContact O-C 3.58Å; N491-L494 PolarHBondContact O-N 3.02Å; N491-I533 HydrophobicContact CB-CG2 3.78Å; N491-I533 PolarHBondContact ND2-O 3.01Å; N491-P538 VanDerWaalsContact ND2-CB 3.25Å; N491-P538 WeakPolarHBondContact ND2-CB 3.45Å; N491-N541 PolarHBondContact ND2-ND2 3.24Å; N491-N541 PolarHBondContact OD1-ND2 3Å
492	P	95.1	Very high	95.2	Very high	4 Å²	4	41 Å²	41	3%	0.026	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-50.6	-34.7	169.1	-32.6	39.9	0	0	0	114.4	R489 Y495 P538 N541 E542	R489-P492 VanDerWaalsContact NH2-CA 3.28Å; R489-P492 PolarHBondContact NH2-O 2.63Å; P492-Y495 VanDerWaalsContact O-CE2 3.24Å; P492-Y495 WeakPolarHBondContact O-CE2 3.36Å; P492-P538 WeakPolarHBondContact CD-O 3.4Å; P492-P538 VanDerWaalsContact CG-O 3.28Å; P492-P538 WeakPolarHBondContact CG-O 3.35Å; P492-N541 HydrophobicContact CB-CB 3.85Å; P492-N541 HydrophobicContact CG-CB 3.82Å; P492-E542 HydrophobicContact CB-CB 4.08Å; P492-E542 HydrophobicContact CG-CB 4.06Å
493	N	96.2	Very high	95	Very high	10 Å²	10	41.4 Å²	41.4	5%	0.053	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.2	-4.1	175.8	-53.9	98.6	0	0	0	115.4	N491 V500 C501 I533 N541	N491-N493 PolarHBondContact O-N 3.47Å; N491-N493 VanDerWaalsContact O-N 3.12Å; N491-N493 WeakPolarHBondContact OD1-CA 3.11Å; N491-N493 VanDerWaalsContact OD1-CB 3.28Å; N491-N493 WeakPolarHBondContact OD1-CB 3.46Å; N491-N493 PolarHBondContact OD1-N 3.3Å; N491-N493 PolarHBondContact OD1-OD1 2.9Å; N493-V500 WeakPolarHBondContact O-CA 3.32Å; N493-C501 HydrophobicContact CB-CB 4.31Å; N493-C501 WeakPolarHBondContact CB-O 3Å; N493-C501 PolarHBondContact ND2-O 2.85Å; N493-C501 PolarHBondContact O-N 3.26Å; N493-I533 HydrophobicContact CB-CD1 3.96Å; N493-I533 HydrophobicContact CB-CG1 4.04Å; N493-N541 WeakPolarHBondContact OD1-CB 3.42Å; N493-N541 PolarHBondContact OD1-ND2 3.35Å
494	L	96.8	Very high	94.9	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	23%	0.229	C	C	.	.	B	Isolated β-bridge	trans	-120.6	98.4	177.3	-64.8	-178.8	0	0	0	110.2	F463 F480 R489 F490 N491 V500 I533 F534	F463-L494 HydrophobicContact CE1-CD2 4.01Å; F480-L494 HydrophobicContact CB-CD2 4.02Å; F480-L494 HydrophobicContact CD1-CB 3.98Å; F480-L494 HydrophobicContact CD1-CD1 4.23Å; F480-L494 HydrophobicContact CD1-CD2 4.34Å; F480-L494 HydrophobicContact CD1-CG 4.41Å; F480-L494 HydrophobicContact CD2-CD1 4.31Å; F480-L494 HydrophobicContact CE1-CB 4.25Å; F480-L494 HydrophobicContact CE1-CD1 4.17Å; F480-L494 HydrophobicContact CE2-CD1 4.26Å; F480-L494 HydrophobicContact CG-CD1 4.29Å; F480-L494 HydrophobicContact CG-CD2 4.06Å; F480-L494 HydrophobicContact CZ-CD1 4.18Å; R489-L494 VanDerWaalsContact CG-O 3.28Å; R489-L494 WeakPolarHBondContact CG-O 3.24Å; F490-L494 HydrophobicContact CB-CB 4.41Å; F490-L494 HydrophobicContact CB-CD1 4.21Å; F490-L494 PolarHBondContact N-O 3.36Å; N491-L494 HydrophobicContact CB-CB 3.94Å; N491-L494 HydrophobicContact CB-CD1 4.22Å; N491-L494 HydrophobicContact CB-CG 3.99Å; N491-L494 CarbonylContact O-C 3.58Å; N491-L494 PolarHBondContact O-N 3.02Å; L494-V500 HydrophobicContact CD2-CB 4.43Å; L494-V500 HydrophobicContact CD2-CG1 4.15Å; L494-V500 HydrophobicContact CD2-CG2 3.96Å; L494-I533 HydrophobicContact CD1-CG2 3.61Å; L494-I533 HydrophobicContact CD2-CD1 3.94Å; L494-I533 HydrophobicContact CD2-CG2 4.26Å; L494-I533 HydrophobicContact CG-CD1 4.31Å; L494-I533 HydrophobicContact CG-CG2 3.61Å; L494-F534 HydrophobicContact CD1-CE1 3.92Å; L494-F534 HydrophobicContact CD1-CZ 4.26Å
495	Y	95.1	Very high	95	Very high	70 Å²	70	39.4 Å²	39.4	28%	0.275	22%	0.219	S	C	.	.			trans	-80.1	159.6	-172.9	-74.7	-125.5	0	0	0	112	P492 D497 G498 K499 C501	P492-Y495 VanDerWaalsContact O-CE2 3.24Å; P492-Y495 WeakPolarHBondContact O-CE2 3.36Å; Y495-D497 VanDerWaalsContact C-N 3.29Å; Y495-D497 WeakPolarHBondContact CB-OD1 3.4Å; Y495-D497 PolarHBondContact O-N 2.88Å; Y495-G498 WeakPolarHBondContact O-CA 3.31Å; Y495-G498 PolarHBondContact O-N 3.25Å; Y495-K499 HydrophobicContact CG-CB 4.26Å; Y495-K499 PolarHBondContact N-O 2.87Å; Y495-C501 HydrophobicContact CE2-CB 4.23Å; Y495-C501 WeakPolarHBondContact CE2-SG 3.47Å
496	Q	94.4	Very high	95.1	Very high	99 Å²	99	39.1 Å²	39.1	46%	0.463	20%	0.196	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-38.7	175	-87.5	162.6	-37.3	0	0	113.1	T483 G486 E487 R489 G498	T483-Q496 WeakPolarHBondContact CB-O 3.38Å; G486-Q496 WeakPolarHBondContact CA-O 3.32Å; G486-Q496 VanDerWaalsContact O-CB 3.29Å; G486-Q496 WeakPolarHBondContact O-CB 3.41Å; G486-Q496 WeakPolarHBondContact O-CG 3.44Å; E487-Q496 PolarHBondContact O-NE2 3.35Å; R489-Q496 HydrophobicContact CB-CG 4.15Å; Q496-G498 PolarHBondContact O-N 2.93Å
497	D	95.8	Very high	95.1	Very high	119 Å²	119	40.1 Å²	40.1	64%	0.636	20%	0.196	S	C	*	.	T	Hydrogen-bonded Turn	trans	-73.2	1.8	175.4	69.1	-10.2	0	0	0	114	Y495 K499	Y495-D497 VanDerWaalsContact C-N 3.29Å; Y495-D497 WeakPolarHBondContact CB-OD1 3.4Å; Y495-D497 PolarHBondContact O-N 2.88Å; D497-K499 WeakPolarHBondContact OD1-CB 3.47Å; D497-K499 PolarHBondContact OD1-N 3.09Å
498	G	97.1	Very high	95	Very high	2 Å²	2	37.3 Å²	37.3	2%	0.021	18%	0.179	C	C	.	.			trans	82.6	3.8	-176.3	0	0	0	0	0	114.7	T479 F480 Y495 Q496 V500	T479-G498 CarbonylContact C-O 3.59Å; T479-G498 WeakPolarHBondContact CA-O 3.39Å; F480-G498 PolarHBondContact N-O 3.49Å; F480-G498 WeakPolarHBondContact O-CA 3.37Å; Y495-G498 WeakPolarHBondContact O-CA 3.31Å; Y495-G498 PolarHBondContact O-N 3.25Å; Q496-G498 PolarHBondContact O-N 2.93Å; G498-V500 PolarHBondContact O-N 3.26Å
499	K	97.7	Very high	94.7	Very high	86 Å²	86	43.4 Å²	43.4	37%	0.374	21%	0.207	S	C	.	.	B	Isolated β-bridge	trans	-65	126.8	177.1	-174.5	-168.3	175.9	-159.7	0	111.1	Y495 D497 C501	Y495-K499 HydrophobicContact CG-CB 4.26Å; Y495-K499 PolarHBondContact N-O 2.87Å; D497-K499 WeakPolarHBondContact OD1-CB 3.47Å; D497-K499 PolarHBondContact OD1-N 3.09Å; K499-C501 WeakPolarHBondContact CE-SG 3.28Å
500	V	98	Very high	94.2	Very high	3 Å²	3	41 Å²	41	2%	0.018	21%	0.206	C	C	.	.	B	Isolated β-bridge	trans	-96	122.5	171.8	-173.1	0	0	0	0	109.4	F463 F480 N493 L494 G498 L502 L505 T507 I533	F463-V500 HydrophobicContact CD1-CG2 4.09Å; F463-V500 HydrophobicContact CE1-CG2 4.07Å; F480-V500 HydrophobicContact CB-CG2 3.98Å; N493-V500 WeakPolarHBondContact O-CA 3.32Å; L494-V500 HydrophobicContact CD2-CB 4.43Å; L494-V500 HydrophobicContact CD2-CG1 4.15Å; L494-V500 HydrophobicContact CD2-CG2 3.96Å; G498-V500 PolarHBondContact O-N 3.26Å; V500-L502 HydrophobicContact CG1-CD1 4.38Å; V500-L502 HydrophobicContact CG1-CG 4.36Å; V500-L505 HydrophobicContact CB-CD1 3.92Å; V500-L505 HydrophobicContact CG1-CD1 3.75Å; V500-T507 WeakPolarHBondContact O-CB 3.5Å; V500-T507 PolarHBondContact O-OG1 3.3Å; V500-I533 HydrophobicContact CG1-CD1 3.94Å
501	C	95.9	Very high	93.6	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	22%	0.219	C	C	.	.			trans	-105.1	97.6	-179	-75.5	0	0	0	0	111.9	N493 Y495 K499 T507 W508	N493-C501 HydrophobicContact CB-CB 4.31Å; N493-C501 WeakPolarHBondContact CB-O 3Å; N493-C501 PolarHBondContact ND2-O 2.85Å; N493-C501 PolarHBondContact O-N 3.26Å; Y495-C501 HydrophobicContact CE2-CB 4.23Å; Y495-C501 WeakPolarHBondContact CE2-SG 3.47Å; K499-C501 WeakPolarHBondContact CE-SG 3.28Å; C501-T507 WeakPolarHBondContact CA-OG1 3.29Å; C501-W508 HydrophobicContact CB-CB 4.47Å; C501-W508 HydrophobicContact CB-CD2 4.25Å; C501-W508 HydrophobicContact CB-CE3 3.67Å; C501-W508 HydrophobicContact CB-CZ3 4.17Å
502	L	94	Very high	92.8	Very high	6 Å²	6	48.9 Å²	48.9	3%	0.031	25%	0.248	C	C	.	.			trans	-137.2	149.9	174.4	-70.7	177.5	0	0	0	111.6	V500 I504 L505 N506 T507 W508 I529 L532 I533	V500-L502 HydrophobicContact CG1-CD1 4.38Å; V500-L502 HydrophobicContact CG1-CG 4.36Å; L502-I504 HydrophobicContact CB-CG2 4.11Å; L502-I504 HydrophobicContact CD1-CG2 4.35Å; L502-I504 PolarHBondContact O-N 2.92Å; L502-L505 HydrophobicContact CB-CB 4.41Å; L502-L505 HydrophobicContact CB-CD1 4.39Å; L502-L505 HydrophobicContact CB-CG 4.39Å; L502-L505 PolarHBondContact O-N 3.46Å; L502-L505 VanDerWaalsContact O-N 3.11Å; L502-N506 PolarHBondContact O-N 3.47Å; L502-T507 PolarHBondContact N-OG1 2.94Å; L502-T507 PolarHBondContact O-N 3.4Å; L502-T507 VanDerWaalsContact O-N 3.09Å; L502-T507 PolarHBondContact O-OG1 3.12Å; L502-W508 VanDerWaalsContact C-CB 3.48Å; L502-W508 PolarHBondContact O-N 3.22Å; L502-I529 HydrophobicContact CD1-CG1 3.56Å; L502-L532 HydrophobicContact CD2-CB 4.19Å; L502-L532 HydrophobicContact CD2-CD1 4.06Å; L502-I533 HydrophobicContact CD1-CD1 4.15Å; L502-I533 HydrophobicContact CD2-CD1 4.13Å; L502-I533 HydrophobicContact CD2-CG1 4.1Å; L502-I533 HydrophobicContact CG-CD1 4.1Å
503	S	92.9	Very high	92	Very high	19 Å²	19	52.2 Å²	52.2	13%	0.133	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-62.2	-41.9	176.8	57.6	0	0	0	0	111.7	L505 N506 E514 K515	S503-L505 PolarHBondContact O-N 3.17Å; S503-N506 WeakPolarHBondContact O-CA 3.4Å; S503-N506 PolarHBondContact O-N 3.12Å; S503-N506 PolarHBondContact O-OD1 3.32Å; S503-E514 CarbonylContact C-O 3.57Å; S503-E514 WeakPolarHBondContact CB-O 3.36Å; S503-E514 PolarHBondContact OG-O 3.13Å; S503-K515 WeakPolarHBondContact O-CA 3.16Å
504	I	94	Very high	91.4	Very high	14 Å²	14	55.1 Å²	55.1	7%	0.072	28%	0.276	C	S	.	.	G	3₁₀ helix	trans	-68.1	-10	175.4	-168.3	164.1	0	0	0	113.7	L502 E514 W516 C520 Q524 L525	L502-I504 HydrophobicContact CB-CG2 4.11Å; L502-I504 HydrophobicContact CD1-CG2 4.35Å; L502-I504 PolarHBondContact O-N 2.92Å; I504-E514 PolarHBondContact N-O 2.91Å; I504-W516 HydrophobicContact CG1-CE3 3.97Å; I504-W516 HydrophobicContact CG1-CZ3 4.46Å; I504-W516 WeakPolarHBondContact O-CB 3.35Å; I504-C520 HydrophobicContact CD1-CB 4.4Å; I504-Q524 HydrophobicContact CD1-CB 4Å; I504-L525 HydrophobicContact CG2-CD1 4.02Å
505	L	96.3	Very high	91.1	Very high	13 Å²	13	59 Å²	59	7%	0.068	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-99.2	-0.4	167.8	-72.8	176.2	0	0	0	112.6	P476 M478 V500 L502 S503 T507 L525	P476-L505 WeakPolarHBondContact O-CD2 3.12Å; M478-L505 HydrophobicContact CB-CD1 4.28Å; M478-L505 HydrophobicContact CB-CD2 4.45Å; V500-L505 HydrophobicContact CB-CD1 3.92Å; V500-L505 HydrophobicContact CG1-CD1 3.75Å; L502-L505 HydrophobicContact CB-CB 4.41Å; L502-L505 HydrophobicContact CB-CD1 4.39Å; L502-L505 HydrophobicContact CB-CG 4.39Å; L502-L505 PolarHBondContact O-N 3.46Å; L502-L505 VanDerWaalsContact O-N 3.11Å; S503-L505 PolarHBondContact O-N 3.17Å; L505-T507 HydrophobicContact CB-CG2 4.16Å; L505-T507 WeakPolarHBondContact CB-OG1 3.42Å; L505-T507 PolarHBondContact O-N 3.02Å; L505-L525 HydrophobicContact CD1-CD1 4.06Å; L505-L525 HydrophobicContact CD2-CD1 3.53Å; L505-L525 HydrophobicContact CD2-CD2 3.79Å; L505-L525 HydrophobicContact CD2-CG 4.33Å; L505-L525 HydrophobicContact CG-CD1 3.6Å
506	N	95	Very high	91.1	Very high	83 Å²	83	56.5 Å²	56.5	44%	0.444	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.2	21.6	-166.6	-62.3	-19.8	0	0	0	113.7	P475 L502 S503 W516	P475-N506 HydrophobicContact CG-CB 4.48Å; L502-N506 PolarHBondContact O-N 3.47Å; S503-N506 WeakPolarHBondContact O-CA 3.4Å; S503-N506 PolarHBondContact O-N 3.12Å; S503-N506 PolarHBondContact O-OD1 3.32Å; N506-W516 PolarHBondContact OD1-N 3.01Å; N506-W516 VanDerWaalsContact OD1-N 3.11Å
507	T	92.4	Very high	90.9	Very high	52 Å²	52	53.2 Å²	53.2	32%	0.319	27%	0.269	S	S	.	.	S	Bend	trans	-99	0.6	178.3	52.4	0	0	0	0	113.6	V500 C501 L502 L505	V500-T507 WeakPolarHBondContact O-CB 3.5Å; V500-T507 PolarHBondContact O-OG1 3.3Å; C501-T507 WeakPolarHBondContact CA-OG1 3.29Å; L502-T507 PolarHBondContact N-OG1 2.94Å; L502-T507 PolarHBondContact O-N 3.4Å; L502-T507 VanDerWaalsContact O-N 3.09Å; L502-T507 PolarHBondContact O-OG1 3.12Å; L505-T507 HydrophobicContact CB-CG2 4.16Å; L505-T507 WeakPolarHBondContact CB-OG1 3.42Å; L505-T507 PolarHBondContact O-N 3.02Å
508	W	89.6	Confident	90.6	Very high	85 Å²	85	49.1 Å²	49.1	32%	0.322	25%	0.249	S	C	.	.	S	Bend	trans	-140.3	167.2	177.2	-160.8	-118.1	0	0	0	111.5	C501 L502 P543	C501-W508 HydrophobicContact CB-CB 4.47Å; C501-W508 HydrophobicContact CB-CD2 4.25Å; C501-W508 HydrophobicContact CB-CE3 3.67Å; C501-W508 HydrophobicContact CB-CZ3 4.17Å; L502-W508 VanDerWaalsContact C-CB 3.48Å; L502-W508 PolarHBondContact O-N 3.22Å; W508-P543 HydrophobicContact CH2-CG 3.51Å; W508-P543 HydrophobicContact CZ2-CG 3.51Å
509	E	87.1	Confident	90.1	Very high	168 Å²	168	54.3 Å²	54.3	79%	0.785	27%	0.269	S	S	*	.			trans	-72.3	159.5	169.8	-62.7	-157.4	154.6	0	0	111.9
510	G	83.4	Confident	89.7	Confident	28 Å²	28	50.7 Å²	50.7	29%	0.289	25%	0.254	S	S	.	.			trans	168.3	162.3	-174.3	0	0	0	0	0	110.5	E514 K515	G510-E514 VanDerWaalsContact CA-OE2 3.27Å; G510-E514 WeakPolarHBondContact CA-OE2 3.28Å; G510-K515 VanDerWaalsContact O-CE 3.27Å; G510-K515 WeakPolarHBondContact O-CE 3.35Å
511	R	82.4	Confident	89.4	Confident	74 Å²	74	51.8 Å²	51.8	28%	0.279	26%	0.262	S	S	.	.			trans	-69.1	162.8	175.8	-52.6	176.6	-166.6	171	7.9	111.1	E513 E514 K515	R511-E513 VanDerWaalsContact CB-CD 3.47Å; R511-E513 HydrophobicContact CB-CG 4.35Å; R511-E513 VanDerWaalsContact CB-OE2 3.24Å; R511-E513 WeakPolarHBondContact CB-OE2 3.49Å; R511-E513 WeakPolarHBondContact CD-OE1 3.5Å; R511-E513 IonicContact NH1-OE1 3.67Å; R511-E513 PolarHBondContact NH1-OE1 3.07Å; R511-E513 PolarHBondContact O-N 3.05Å; R511-E514 HydrophobicContact CB-CB 4.46Å; R511-E514 HydrophobicContact CB-CG 4.07Å; R511-E514 WeakPolarHBondContact CD-OE1 3.4Å; R511-E514 HydrophobicContact CG-CG 4.44Å; R511-E514 WeakPolarHBondContact CG-OE2 3.46Å; R511-E514 IonicContact CZ-OE1 2.73Å; R511-E514 PolarHBondContact N-OE2 2.98Å; R511-E514 IonicContact NE-OE1 2.81Å; R511-E514 PolarHBondContact NE-OE1 2.97Å; R511-E514 PolarHBondContact O-N 2.63Å; R511-K515 PolarHBondContact O-N 3.45Å
512	P	79.5	Confident	89.3	Confident	91 Å²	91	51.9 Å²	51.9	59%	0.591	26%	0.262	S	S	*	.	G	3₁₀ helix	trans	-53.4	-40.4	177.1	-26.7	36.1	0	0	0	113.4	E514 K515	P512-E514 VanDerWaalsContact C-N 3.27Å; P512-E514 PolarHBondContact O-N 2.98Å; P512-K515 PolarHBondContact O-N 3.37Å
513	E	79.3	Confident	89.3	Confident	74 Å²	74	53.4 Å²	53.4	35%	0.346	27%	0.27	S	S	.	.	G	3₁₀ helix	trans	-72.3	-14.4	177.9	69	-86.1	-159.2	0	0	114.5	W136 R511	W136-E513 HydrophobicContact CB-CB 4.48Å; W136-E513 HydrophobicContact CE3-CB 4.47Å; R511-E513 VanDerWaalsContact CB-CD 3.47Å; R511-E513 HydrophobicContact CB-CG 4.35Å; R511-E513 VanDerWaalsContact CB-OE2 3.24Å; R511-E513 WeakPolarHBondContact CB-OE2 3.49Å; R511-E513 WeakPolarHBondContact CD-OE1 3.5Å; R511-E513 IonicContact NH1-OE1 3.67Å; R511-E513 PolarHBondContact NH1-OE1 3.07Å; R511-E513 PolarHBondContact O-N 3.05Å
514	E	83.2	Confident	89.2	Confident	71 Å²	71	57 Å²	57	33%	0.332	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-97.1	-5.2	178.7	-63.3	167.2	175	0	0	112.5	S503 I504 G510 R511 P512	S503-E514 CarbonylContact C-O 3.57Å; S503-E514 WeakPolarHBondContact CB-O 3.36Å; S503-E514 PolarHBondContact OG-O 3.13Å; I504-E514 PolarHBondContact N-O 2.91Å; G510-E514 VanDerWaalsContact CA-OE2 3.27Å; G510-E514 WeakPolarHBondContact CA-OE2 3.28Å; R511-E514 HydrophobicContact CB-CB 4.46Å; R511-E514 HydrophobicContact CB-CG 4.07Å; R511-E514 WeakPolarHBondContact CD-OE1 3.4Å; R511-E514 HydrophobicContact CG-CG 4.44Å; R511-E514 WeakPolarHBondContact CG-OE2 3.46Å; R511-E514 IonicContact CZ-OE1 2.73Å; R511-E514 PolarHBondContact N-OE2 2.98Å; R511-E514 IonicContact NE-OE1 2.81Å; R511-E514 PolarHBondContact NE-OE1 2.97Å; R511-E514 PolarHBondContact O-N 2.63Å; P512-E514 VanDerWaalsContact C-N 3.27Å; P512-E514 PolarHBondContact O-N 2.98Å
515	K	90.9	Very high	89.3	Confident	81 Å²	81	56.3 Å²	56.3	35%	0.352	28%	0.281	S	S	.	.	S	Bend	trans	-98.2	161	-176.9	-76.2	-174.5	178.4	-178.5	0	112.7	S503 G510 R511 P512 N517	S503-K515 WeakPolarHBondContact O-CA 3.16Å; G510-K515 VanDerWaalsContact O-CE 3.27Å; G510-K515 WeakPolarHBondContact O-CE 3.35Å; R511-K515 PolarHBondContact O-N 3.45Å; P512-K515 PolarHBondContact O-N 3.37Å; K515-N517 PolarHBondContact O-N 3.47Å; K515-N517 PolarHBondContact O-ND2 3.19Å
516	W	94.2	Very high	89.3	Confident	18 Å²	18	55.7 Å²	55.7	7%	0.068	28%	0.278	C	S	.	.			trans	-61.7	128.7	178.3	-174.9	-90	0	0	0	111.5	Y471 P472 P475 P476 I504 N506 C520	Y471-W516 HydrophobicContact CD2-CZ2 4.24Å; Y471-W516 AromaticContact CE2-CH2 3.8Å; Y471-W516 HydrophobicContact CE2-CH2 3.8Å; Y471-W516 AromaticContact CE2-CZ2 3.49Å; Y471-W516 HydrophobicContact CE2-CZ2 3.49Å; Y471-W516 VanDerWaalsContact CE2-CZ2 3.49Å; P472-W516 PolarHBondContact O-NE1 2.95Å; P475-W516 HydrophobicContact CB-CB 3.86Å; P475-W516 HydrophobicContact CB-CD2 3.66Å; P475-W516 HydrophobicContact CB-CE3 4Å; P475-W516 HydrophobicContact CB-CG 3.54Å; P475-W516 HydrophobicContact CG-CB 4.1Å; P475-W516 HydrophobicContact CG-CG 4.1Å; P476-W516 HydrophobicContact CG-CH2 4.43Å; I504-W516 HydrophobicContact CG1-CE3 3.97Å; I504-W516 HydrophobicContact CG1-CZ3 4.46Å; I504-W516 WeakPolarHBondContact O-CB 3.35Å; N506-W516 PolarHBondContact OD1-N 3.01Å; N506-W516 VanDerWaalsContact OD1-N 3.11Å; W516-C520 HydrophobicContact CD2-CB 3.9Å; W516-C520 HydrophobicContact CE3-CB 3.49Å; W516-C520 VanDerWaalsContact CE3-CB 3.49Å; W516-C520 HydrophobicContact CH2-CB 3.64Å; W516-C520 WeakPolarHBondContact CH2-O 3.38Å; W516-C520 HydrophobicContact CZ2-CB 4.03Å; W516-C520 HydrophobicContact CZ3-CB 3.37Å
517	N	90.5	Very high	89.3	Confident	30 Å²	30	54.5 Å²	54.5	16%	0.16	27%	0.273	C	S	.	.			trans	-135.1	165.9	168.5	67	77.6	0	0	0	109	I138 K515 Y519 C520	I138-N517 HydrophobicContact CD1-CB 4.29Å; I138-N517 VanDerWaalsContact CD1-CG 3.48Å; I138-N517 WeakPolarHBondContact CD1-OD1 3.36Å; K515-N517 PolarHBondContact O-N 3.47Å; K515-N517 PolarHBondContact O-ND2 3.19Å; N517-Y519 PolarHBondContact O-N 3.4Å; N517-Y519 WeakPolarHBondContact OD1-CA 3.41Å; N517-Y519 WeakPolarHBondContact OD1-CB 3.48Å; N517-Y519 PolarHBondContact OD1-N 2.97Å; N517-C520 PolarHBondContact ND2-SG 3.11Å; N517-C520 WeakPolarHBondContact O-CB 3.31Å; N517-C520 PolarHBondContact O-N 2.94Å; N517-C520 PolarHBondContact OD1-N 3.32Å
518	P	90.1	Very high	89.4	Confident	34 Å²	34	53.4 Å²	53.4	22%	0.221	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.2	-20.1	-175.4	-26.2	35.6	0	0	0	115.4	R412 P472 F473	R412-P518 PolarHBondContact NH1-O 3.04Å; R412-P518 PolarHBondContact NH2-O 3.04Å; R412-P518 VanDerWaalsContact NH2-O 3.1Å; P472-P518 HydrophobicContact CG-CB 4.49Å; P472-P518 WeakPolarHBondContact O-CA 3.32Å; F473-P518 HydrophobicContact CD1-CB 4.39Å; F473-P518 HydrophobicContact CD1-CG 3.68Å; F473-P518 HydrophobicContact CE1-CB 4.48Å; F473-P518 HydrophobicContact CE1-CG 4.07Å
519	Y	84.8	Confident	89.7	Confident	111 Å²	111	49.4 Å²	49.4	44%	0.435	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.3	-4.4	-178.5	-49.3	-81.5	0	0	0	113.1	I138 I142 N517	I138-Y519 HydrophobicContact CD1-CD2 4.2Å; I138-Y519 HydrophobicContact CG1-CD2 4.5Å; I142-Y519 HydrophobicContact CD1-CD1 3.8Å; I142-Y519 HydrophobicContact CD1-CD2 3.35Å; I142-Y519 HydrophobicContact CD1-CE1 3.73Å; I142-Y519 HydrophobicContact CD1-CE2 3.28Å; I142-Y519 HydrophobicContact CD1-CG 3.62Å; I142-Y519 VanDerWaalsContact CD1-CZ 3.47Å; N517-Y519 PolarHBondContact O-N 3.4Å; N517-Y519 WeakPolarHBondContact OD1-CA 3.41Å; N517-Y519 WeakPolarHBondContact OD1-CB 3.48Å; N517-Y519 PolarHBondContact OD1-N 2.97Å
520	C	90	Very high	89.9	Confident	10 Å²	10	42 Å²	42	7%	0.068	22%	0.218	C	C	.	.			trans	-65.2	141.6	167.1	-69.5	0	0	0	0	111.1	R412 I504 W516 N517 Q524	R412-C520 PolarHBondContact NH2-O 3.48Å; I504-C520 HydrophobicContact CD1-CB 4.4Å; W516-C520 HydrophobicContact CD2-CB 3.9Å; W516-C520 HydrophobicContact CE3-CB 3.49Å; W516-C520 VanDerWaalsContact CE3-CB 3.49Å; W516-C520 HydrophobicContact CH2-CB 3.64Å; W516-C520 WeakPolarHBondContact CH2-O 3.38Å; W516-C520 HydrophobicContact CZ2-CB 4.03Å; W516-C520 HydrophobicContact CZ3-CB 3.37Å; N517-C520 PolarHBondContact ND2-SG 3.11Å; N517-C520 WeakPolarHBondContact O-CB 3.31Å; N517-C520 PolarHBondContact O-N 2.94Å; N517-C520 PolarHBondContact OD1-N 3.32Å; C520-Q524 VanDerWaalsContact CA-OE1 3.27Å
521	S	91	Very high	90.2	Very high	26 Å²	26	43.1 Å²	43.1	18%	0.182	23%	0.225	C	C	.	.			trans	-106.1	160.1	177.2	71.1	0	0	0	0	113.2	E416 L523 Q524 L525	E416-S521 WeakPolarHBondContact OE2-CA 3.4Å; E416-S521 WeakPolarHBondContact OE2-CB 3.38Å; S521-L523 VanDerWaalsContact C-N 3.25Å; S521-L523 PolarHBondContact O-N 2.91Å; S521-Q524 PolarHBondContact O-N 2.91Å; S521-Q524 WeakPolarHBondContact OG-CG 3.42Å; S521-Q524 PolarHBondContact OG-N 2.88Å; S521-L525 PolarHBondContact O-N 3.41Å
522	L	94.9	Very high	90.7	Very high	1 Å²	1	43.2 Å²	43.2	1%	0.005	23%	0.231	C	C	.	.	H	α-helix	trans	-58.3	-40.6	169.9	177.4	62.3	0	0	0	110.8	E416 L420 M444 L465 F467 Q524 L525 L526	E416-L522 HydrophobicContact CB-CB 3.97Å; E416-L522 HydrophobicContact CB-CD2 4.13Å; E416-L522 HydrophobicContact CG-CB 4.19Å; E416-L522 WeakPolarHBondContact OE2-CB 3.4Å; E416-L522 PolarHBondContact OE2-N 3.42Å; L420-L522 HydrophobicContact CD1-CD2 3.56Å; L420-L522 HydrophobicContact CD1-CG 4.22Å; L420-L522 HydrophobicContact CD2-CD2 4.35Å; L420-L522 HydrophobicContact CD2-CG 4.37Å; L420-L522 HydrophobicContact CG-CD2 4.08Å; M444-L522 HydrophobicContact CE-CD2 4.3Å; M444-L522 HydrophobicContact SD-CD2 4.15Å; L465-L522 HydrophobicContact CD1-CD1 3.57Å; L465-L522 HydrophobicContact CD2-CD1 4.1Å; F467-L522 HydrophobicContact CZ-CD1 4.09Å; F467-L522 HydrophobicContact CZ-CD2 4.04Å; L522-Q524 VanDerWaalsContact C-N 3.34Å; L522-Q524 PolarHBondContact O-N 3.44Å; L522-L525 WeakPolarHBondContact O-CB 3.27Å; L522-L525 PolarHBondContact O-N 3.38Å; L522-L526 HydrophobicContact CD1-CD1 4.26Å; L522-L526 HydrophobicContact CD1-CG 4.24Å; L522-L526 HydrophobicContact CG-CD1 4.2Å; L522-L526 HydrophobicContact CG-CG 4.49Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 2.9Å
523	L	93.5	Very high	91.4	Very high	38 Å²	38	38.9 Å²	38.9	20%	0.199	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-44.6	176.7	-179	67.8	0	0	0	111.6	L420 N423 L424 S521 L526 V527	L420-L523 HydrophobicContact CD2-CB 3.92Å; L420-L523 HydrophobicContact CD2-CD1 4.12Å; N423-L523 HydrophobicContact CB-CD1 4.03Å; N423-L523 HydrophobicContact CB-CD2 3.55Å; N423-L523 HydrophobicContact CB-CG 4.44Å; L424-L523 HydrophobicContact CD2-CD1 4.39Å; S521-L523 VanDerWaalsContact C-N 3.25Å; S521-L523 PolarHBondContact O-N 2.91Å; L523-L526 PolarHBondContact O-N 3.46Å; L523-V527 HydrophobicContact CD1-CG2 4.17Å; L523-V527 HydrophobicContact CG-CG2 4.4Å; L523-V527 WeakPolarHBondContact O-CB 3.36Å; L523-V527 VanDerWaalsContact O-CG2 3.31Å; L523-V527 WeakPolarHBondContact O-CG2 3.48Å; L523-V527 PolarHBondContact O-N 2.76Å
524	Q	91.4	Very high	92.2	Very high	95 Å²	95	35.6 Å²	35.6	44%	0.444	19%	0.187	S	C	.	.	H	α-helix	trans	-60.3	-46.5	176.8	-75.6	167.9	-18.9	0	0	111.4	I504 C520 S521 L522 L526 V527 S528	I504-Q524 HydrophobicContact CD1-CB 4Å; C520-Q524 VanDerWaalsContact CA-OE1 3.27Å; S521-Q524 PolarHBondContact O-N 2.91Å; S521-Q524 WeakPolarHBondContact OG-CG 3.42Å; S521-Q524 PolarHBondContact OG-N 2.88Å; L522-Q524 VanDerWaalsContact C-N 3.34Å; L522-Q524 PolarHBondContact O-N 3.44Å; Q524-L526 PolarHBondContact O-N 3.18Å; Q524-V527 PolarHBondContact O-N 3.16Å; Q524-S528 WeakPolarHBondContact O-CB 3.31Å; Q524-S528 PolarHBondContact O-N 2.83Å; Q524-S528 PolarHBondContact O-OG 3.23Å
525	L	96.4	Very high	92.8	Very high	0 Å²	0	34 Å²	34	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-55.6	-49.6	175.1	168.3	60.8	0	0	0	112.1	L465 P476 M478 I504 L505 S521 L522 S528 I529	L465-L525 HydrophobicContact CD1-CD2 4.1Å; P476-L525 HydrophobicContact CB-CD2 4.24Å; P476-L525 HydrophobicContact CG-CD2 4.11Å; M478-L525 HydrophobicContact SD-CD2 4.26Å; M478-L525 HydrophobicContact SD-CG 4.44Å; I504-L525 HydrophobicContact CG2-CD1 4.02Å; L505-L525 HydrophobicContact CD1-CD1 4.06Å; L505-L525 HydrophobicContact CD2-CD1 3.53Å; L505-L525 HydrophobicContact CD2-CD2 3.79Å; L505-L525 HydrophobicContact CD2-CG 4.33Å; L505-L525 HydrophobicContact CG-CD1 3.6Å; S521-L525 PolarHBondContact O-N 3.41Å; L522-L525 WeakPolarHBondContact O-CB 3.27Å; L522-L525 PolarHBondContact O-N 3.38Å; L525-S528 PolarHBondContact O-N 2.74Å; L525-I529 HydrophobicContact CD1-CD1 4.2Å; L525-I529 WeakPolarHBondContact O-CG1 3.29Å; L525-I529 PolarHBondContact O-N 2.99Å; L525-I529 VanDerWaalsContact O-N 3.11Å
526	L	96.9	Very high	93	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-68	-36.8	-177.1	-63.6	-175.8	0	0	0	112.5	L420 L424 I432 V434 V446 L465 M478 L522 L523 Q524 I529 Q530	L420-L526 HydrophobicContact CD1-CD1 4.41Å; L424-L526 HydrophobicContact CD2-CD1 4.03Å; I432-L526 HydrophobicContact CD1-CB 3.88Å; I432-L526 WeakPolarHBondContact CD1-O 3.33Å; I432-L526 HydrophobicContact CG2-CD1 4.2Å; V434-L526 HydrophobicContact CG2-CD1 4.09Å; V446-L526 HydrophobicContact CG1-CD1 4.33Å; V446-L526 HydrophobicContact CG1-CD2 3.99Å; V446-L526 HydrophobicContact CG2-CD2 4.24Å; L465-L526 HydrophobicContact CD1-CD2 4.35Å; M478-L526 HydrophobicContact CE-CD2 3.74Å; M478-L526 HydrophobicContact SD-CD2 4.4Å; L522-L526 HydrophobicContact CD1-CD1 4.26Å; L522-L526 HydrophobicContact CD1-CG 4.24Å; L522-L526 HydrophobicContact CG-CD1 4.2Å; L522-L526 HydrophobicContact CG-CG 4.49Å; L522-L526 WeakPolarHBondContact O-CG 3.46Å; L522-L526 PolarHBondContact O-N 2.9Å; L523-L526 PolarHBondContact O-N 3.46Å; Q524-L526 PolarHBondContact O-N 3.18Å; L526-I529 HydrophobicContact CD2-CD1 4.46Å; L526-I529 PolarHBondContact O-N 3.47Å; L526-Q530 PolarHBondContact O-N 3.28Å
527	V	93.3	Very high	93.1	Very high	57 Å²	57	38.8 Å²	38.8	35%	0.345	20%	0.204	S	C	.	.	H	α-helix	trans	-70.5	-37.8	173.4	172.7	0	0	0	0	111.5	P425 L523 Q524 I529 Q530 A531	P425-V527 HydrophobicContact CG-CG2 4.03Å; L523-V527 HydrophobicContact CD1-CG2 4.17Å; L523-V527 HydrophobicContact CG-CG2 4.4Å; L523-V527 WeakPolarHBondContact O-CB 3.36Å; L523-V527 VanDerWaalsContact O-CG2 3.31Å; L523-V527 WeakPolarHBondContact O-CG2 3.48Å; L523-V527 PolarHBondContact O-N 2.76Å; Q524-V527 PolarHBondContact O-N 3.16Å; V527-I529 VanDerWaalsContact C-N 3.29Å; V527-I529 PolarHBondContact O-N 2.82Å; V527-Q530 PolarHBondContact O-N 2.91Å; V527-A531 WeakPolarHBondContact O-CB 3.41Å; V527-A531 PolarHBondContact O-N 3.37Å
528	S	94.7	Very high	93.4	Very high	30 Å²	30	37.3 Å²	37.3	21%	0.21	20%	0.197	C	C	.	.	H	α-helix	trans	-60.8	-35.4	174.2	-70.9	0	0	0	0	112.5	Q524 L525 A531 L532	Q524-S528 WeakPolarHBondContact O-CB 3.31Å; Q524-S528 PolarHBondContact O-N 2.83Å; Q524-S528 PolarHBondContact O-OG 3.23Å; L525-S528 PolarHBondContact O-N 2.74Å; S528-A531 PolarHBondContact O-N 2.82Å; S528-L532 VanDerWaalsContact O-CB 3.24Å; S528-L532 WeakPolarHBondContact O-CB 3.2Å; S528-L532 WeakPolarHBondContact O-CG 3.47Å; S528-L532 PolarHBondContact O-N 3.01Å
529	I	95.8	Very high	93.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-63.5	-47.9	173.8	-68.5	164.1	0	0	0	110.7	I448 F463 M478 L502 L525 L526 V527 A531 I533 F534	I448-I529 HydrophobicContact CD1-CB 4.12Å; I448-I529 HydrophobicContact CD1-CG2 3.62Å; F463-I529 HydrophobicContact CE1-CG2 4.47Å; F463-I529 HydrophobicContact CZ-CG2 3.95Å; M478-I529 HydrophobicContact CE-CD1 3.49Å; M478-I529 VanDerWaalsContact CE-CD1 3.49Å; M478-I529 HydrophobicContact SD-CD1 3.38Å; M478-I529 WeakPolarHBondContact SD-CD1 3.37Å; L502-I529 HydrophobicContact CD1-CG1 3.56Å; L525-I529 HydrophobicContact CD1-CD1 4.2Å; L525-I529 WeakPolarHBondContact O-CG1 3.29Å; L525-I529 PolarHBondContact O-N 2.99Å; L525-I529 VanDerWaalsContact O-N 3.11Å; L526-I529 HydrophobicContact CD2-CD1 4.46Å; L526-I529 PolarHBondContact O-N 3.47Å; V527-I529 VanDerWaalsContact C-N 3.29Å; V527-I529 PolarHBondContact O-N 2.82Å; I529-A531 PolarHBondContact O-N 3.31Å; I529-I533 HydrophobicContact CG1-CD1 4.48Å; I529-I533 HydrophobicContact CG2-CD1 4.36Å; I529-I533 VanDerWaalsContact O-CB 3.29Å; I529-I533 WeakPolarHBondContact O-CB 3.47Å; I529-I533 PolarHBondContact O-N 3.39Å; I529-I533 VanDerWaalsContact O-N 3.08Å; I529-F534 HydrophobicContact CG2-CD2 4.31Å; I529-F534 HydrophobicContact CG2-CE2 3.87Å; I529-F534 PolarHBondContact O-N 3.14Å
530	Q	91.2	Very high	94.1	Very high	13 Å²	13	32.4 Å²	32.4	6%	0.061	17%	0.173	C	C	.	.	H	α-helix	trans	-60.7	-44.1	174.8	-77.6	-169.5	-28.7	0	0	112.7	N430 S431 I432 I448 L526 V527	N430-Q530 PolarHBondContact ND2-OE1 2.87Å; S431-Q530 PolarHBondContact O-NE2 3.02Å; I432-Q530 HydrophobicContact CD1-CG 4.05Å; I432-Q530 HydrophobicContact CG1-CG 4.32Å; I448-Q530 HydrophobicContact CG2-CG 3.47Å; I448-Q530 VanDerWaalsContact CG2-CG 3.47Å; L526-Q530 PolarHBondContact O-N 3.28Å; V527-Q530 PolarHBondContact O-N 2.91Å
531	A	90.9	Very high	94.2	Very high	52 Å²	52	33.7 Å²	33.7	43%	0.43	18%	0.179	S	C	.	.	H	α-helix	trans	-78.1	-30	-172.3	0	0	0	0	0	114.7	V527 S528 I529 V535	V527-A531 WeakPolarHBondContact O-CB 3.41Å; V527-A531 PolarHBondContact O-N 3.37Å; S528-A531 PolarHBondContact O-N 2.82Å; I529-A531 PolarHBondContact O-N 3.31Å; A531-V535 WeakPolarHBondContact O-CG1 3.34Å
532	L	91.4	Very high	94.3	Very high	76 Å²	76	34.5 Å²	34.5	40%	0.398	18%	0.181	S	C	.	.	H	α-helix	trans	-108.1	-28	-172.9	-56.6	175.8	0	0	0	113.5	L502 S528 N541	L502-L532 HydrophobicContact CD2-CB 4.19Å; L502-L532 HydrophobicContact CD2-CD1 4.06Å; S528-L532 VanDerWaalsContact O-CB 3.24Å; S528-L532 WeakPolarHBondContact O-CB 3.2Å; S528-L532 WeakPolarHBondContact O-CG 3.47Å; S528-L532 PolarHBondContact O-N 3.01Å; L532-N541 PolarHBondContact O-ND2 3.38Å
533	I	94.5	Very high	93.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.5	-50.4	-177.1	-57.2	-172.8	0	0	0	110.7	Y456 N491 N493 L494 V500 L502 I529 V535	Y456-I533 WeakPolarHBondContact CE2-O 3.48Å; N491-I533 HydrophobicContact CB-CG2 3.78Å; N491-I533 PolarHBondContact ND2-O 3.01Å; N493-I533 HydrophobicContact CB-CD1 3.96Å; N493-I533 HydrophobicContact CB-CG1 4.04Å; L494-I533 HydrophobicContact CD1-CG2 3.61Å; L494-I533 HydrophobicContact CD2-CD1 3.94Å; L494-I533 HydrophobicContact CD2-CG2 4.26Å; L494-I533 HydrophobicContact CG-CD1 4.31Å; L494-I533 HydrophobicContact CG-CG2 3.61Å; V500-I533 HydrophobicContact CG1-CD1 3.94Å; L502-I533 HydrophobicContact CD1-CD1 4.15Å; L502-I533 HydrophobicContact CD2-CD1 4.13Å; L502-I533 HydrophobicContact CD2-CG1 4.1Å; L502-I533 HydrophobicContact CG-CD1 4.1Å; I529-I533 HydrophobicContact CG1-CD1 4.48Å; I529-I533 HydrophobicContact CG2-CD1 4.36Å; I529-I533 VanDerWaalsContact O-CB 3.29Å; I529-I533 WeakPolarHBondContact O-CB 3.47Å; I529-I533 PolarHBondContact O-N 3.39Å; I529-I533 VanDerWaalsContact O-N 3.08Å; I533-V535 PolarHBondContact O-N 3.12Å
534	F	96.4	Very high	93.6	Very high	4 Å²	4	37.8 Å²	37.8	2%	0.018	21%	0.209	C	C	.	.	S	Bend	trans	-84.3	54.6	-176.7	-58.9	-47.2	0	0	0	113	I448 P451 T454 Y456 F461 F463 L494 I529	I448-F534 HydrophobicContact CB-CE2 4.02Å; I448-F534 HydrophobicContact CD1-CE2 4.4Å; I448-F534 HydrophobicContact CG2-CD2 3.9Å; I448-F534 HydrophobicContact CG2-CE2 3.67Å; P451-F534 HydrophobicContact CG-CB 4.23Å; T454-F534 WeakPolarHBondContact CG2-O 3.23Å; Y456-F534 AromaticContact CD1-CD1 3.59Å; Y456-F534 HydrophobicContact CD1-CD1 3.59Å; Y456-F534 AromaticContact CD1-CE1 3.95Å; Y456-F534 HydrophobicContact CD1-CE1 3.95Å; Y456-F534 HydrophobicContact CD2-CB 3.98Å; Y456-F534 AromaticContact CD2-CD1 3.85Å; Y456-F534 HydrophobicContact CD2-CD1 3.85Å; Y456-F534 HydrophobicContact CD2-CG 4.4Å; Y456-F534 AromaticContact CE1-CD1 3.85Å; Y456-F534 HydrophobicContact CE1-CD1 3.85Å; Y456-F534 HydrophobicContact CE1-CE1 4.16Å; Y456-F534 HydrophobicContact CE2-CB 4.49Å; Y456-F534 HydrophobicContact CE2-CD1 4.11Å; Y456-F534 HydrophobicContact CG-CB 4.32Å; Y456-F534 AromaticContact CG-CD1 3.58Å; Y456-F534 HydrophobicContact CG-CD1 3.58Å; Y456-F534 HydrophobicContact CG-CE1 4.35Å; Y456-F534 HydrophobicContact CG-CG 4.34Å; F461-F534 HydrophobicContact CB-CE1 4.44Å; F461-F534 HydrophobicContact CB-CE2 4.32Å; F461-F534 HydrophobicContact CB-CZ 3.67Å; F461-F534 HydrophobicContact CD1-CE1 4.13Å; F461-F534 HydrophobicContact CD1-CZ 4.18Å; F461-F534 AromaticContact CD2-CE1 3.97Å; F461-F534 HydrophobicContact CD2-CE1 3.97Å; F461-F534 HydrophobicContact CD2-CE2 4.32Å; F461-F534 AromaticContact CD2-CZ 3.8Å; F461-F534 HydrophobicContact CD2-CZ 3.8Å; F461-F534 HydrophobicContact CE1-CE1 4.42Å; F461-F534 HydrophobicContact CE2-CE1 4.3Å; F461-F534 AromaticContact CG-CE1 3.89Å; F461-F534 HydrophobicContact CG-CE1 3.89Å; F461-F534 HydrophobicContact CG-CE2 4.41Å; F461-F534 AromaticContact CG-CZ 3.59Å; F461-F534 HydrophobicContact CG-CZ 3.59Å; F463-F534 HydrophobicContact CE2-CE2 4.43Å; F463-F534 HydrophobicContact CE2-CZ 4.3Å; F463-F534 HydrophobicContact CZ-CE2 4.25Å; F463-F534 AromaticContact CZ-CZ 3.93Å; F463-F534 HydrophobicContact CZ-CZ 3.93Å; L494-F534 HydrophobicContact CD1-CE1 3.92Å; L494-F534 HydrophobicContact CD1-CZ 4.26Å; I529-F534 HydrophobicContact CG2-CD2 4.31Å; I529-F534 HydrophobicContact CG2-CE2 3.87Å; I529-F534 PolarHBondContact O-N 3.14Å
535	V	95.8	Very high	93.6	Very high	37 Å²	37	36.3 Å²	36.3	22%	0.224	20%	0.202	C	C	.	.			trans	-92.9	174	-175.9	-61.3	0	0	0	0	113.1	P455 A531 I533 P538	P455-V535 WeakPolarHBondContact CD-O 3.46Å; A531-V535 WeakPolarHBondContact O-CG1 3.34Å; I533-V535 PolarHBondContact O-N 3.12Å; V535-P538 HydrophobicContact CG2-CB 4.07Å
536	K	96.5	Very high	93.2	Very high	131 Å²	131	39.6 Å²	39.6	57%	0.57	22%	0.217	S	C	*	.	S	Bend	trans	-75.6	-34.1	-178.1	-61.3	-167	175.1	-179.8	0	114.8	Q453 T454 P538 N562	Q453-K536 WeakPolarHBondContact O-CG 3.42Å; T454-K536 HydrophobicContact CG2-CG 4.25Å; K536-P538 WeakPolarHBondContact O-CD 3.38Å; K536-N562 PolarHBondContact O-ND2 3.25Å
537	E	95.9	Very high	92.8	Very high	69 Å²	69	46.3 Å²	46.3	32%	0.322	25%	0.246	S	C	.	.			trans	-127	59.9	-177.5	-61.1	-157.7	81.5	0	0	111.8	Y539 F540 Q555 S558	E537-Y539 PolarHBondContact O-N 3.02Å; E537-F540 HydrophobicContact CB-CD2 3.72Å; E537-F540 HydrophobicContact CB-CE2 4Å; E537-F540 PolarHBondContact O-N 3.13Å; E537-Q555 PolarHBondContact OE1-NE2 2.92Å; E537-Q555 PolarHBondContact OE2-NE2 3.13Å; E537-S558 VanDerWaalsContact OE1-CB 3.31Å; E537-S558 WeakPolarHBondContact OE1-CB 3.3Å; E537-S558 PolarHBondContact OE1-OG 2.91Å
538	P	95.7	Very high	92.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-60.5	-13.1	-173.7	24.7	-36.7	0	0	0	115	P455 Y456 N491 P492 V535 K536 F540 N541 Y561 N562 L565	P455-P538 HydrophobicContact CG-CG 3.75Å; Y456-P538 HydrophobicContact CE2-CB 4.14Å; Y456-P538 HydrophobicContact CE2-CG 3.89Å; Y456-P538 VanDerWaalsContact OH-CB 3.29Å; Y456-P538 WeakPolarHBondContact OH-CB 3.19Å; N491-P538 VanDerWaalsContact ND2-CB 3.25Å; N491-P538 WeakPolarHBondContact ND2-CB 3.45Å; P492-P538 WeakPolarHBondContact CD-O 3.4Å; P492-P538 VanDerWaalsContact CG-O 3.28Å; P492-P538 WeakPolarHBondContact CG-O 3.35Å; V535-P538 HydrophobicContact CG2-CB 4.07Å; K536-P538 WeakPolarHBondContact O-CD 3.38Å; P538-F540 PolarHBondContact O-N 3.38Å; P538-N541 WeakPolarHBondContact O-CB 3.49Å; P538-N541 PolarHBondContact O-N 3.34Å; P538-N541 VanDerWaalsContact O-N 3.12Å; P538-Y561 HydrophobicContact CB-CE1 4.12Å; P538-Y561 HydrophobicContact CG-CD1 4.18Å; P538-Y561 HydrophobicContact CG-CE1 3.9Å; P538-N562 WeakPolarHBondContact CD-OD1 3.42Å; P538-L565 HydrophobicContact CG-CD2 3.67Å
539	Y	95.2	Very high	92.4	Very high	34 Å²	34	50.9 Å²	50.9	13%	0.133	26%	0.258	C	S	.	.	G	3₁₀ helix	trans	-53.7	-35	169	172.3	-105.2	0	0	0	112.5	E537 N541 F545 L557 Y561	E537-Y539 PolarHBondContact O-N 3.02Å; Y539-N541 VanDerWaalsContact C-N 3.3Å; Y539-N541 PolarHBondContact O-N 3.43Å; Y539-F545 HydrophobicContact CD2-CD2 4.25Å; Y539-F545 HydrophobicContact CD2-CE2 4.41Å; Y539-F545 AromaticContact CE1-CD2 3.93Å; Y539-F545 HydrophobicContact CE1-CD2 3.93Å; Y539-F545 AromaticContact CE2-CD2 3.61Å; Y539-F545 HydrophobicContact CE2-CD2 3.61Å; Y539-F545 AromaticContact CE2-CE2 3.58Å; Y539-F545 HydrophobicContact CE2-CE2 3.58Å; Y539-F545 AromaticContact CZ-CD2 3.41Å; Y539-F545 VanDerWaalsContact CZ-CD2 3.41Å; Y539-F545 AromaticContact CZ-CE2 3.7Å; Y539-F545 WeakPolarHBondContact OH-CD2 3.42Å; Y539-L557 HydrophobicContact CD1-CB 4.44Å; Y539-L557 HydrophobicContact CE1-CB 3.86Å; Y539-L557 HydrophobicContact CE2-CB 4.03Å; Y539-L557 WeakPolarHBondContact OH-CD1 3.36Å; Y539-Y561 HydrophobicContact CD2-CG 4.45Å
540	F	94.5	Very high	92.1	Very high	7 Å²	7	57.3 Å²	57.3	3%	0.031	30%	0.301	C	S	.	.	G	3₁₀ helix	trans	-84.8	3.8	-179.3	-55.8	-65.1	0	0	0	114.4	E537 P538 F545 M549	E537-F540 HydrophobicContact CB-CD2 3.72Å; E537-F540 HydrophobicContact CB-CE2 4Å; E537-F540 PolarHBondContact O-N 3.13Å; P538-F540 PolarHBondContact O-N 3.38Å; F540-F545 HydrophobicContact CD1-CB 4.4Å; F540-F545 WeakPolarHBondContact CD1-O 3.37Å; F540-M549 HydrophobicContact CB-CE 3.47Å; F540-M549 VanDerWaalsContact CB-CE 3.47Å; F540-M549 HydrophobicContact CB-CG 4.12Å; F540-M549 HydrophobicContact CD1-CG 3.74Å; F540-M549 HydrophobicContact CD2-CE 4.26Å; F540-M549 HydrophobicContact CD2-CG 3.69Å; F540-M549 HydrophobicContact CE1-CB 4.44Å; F540-M549 HydrophobicContact CE1-CG 4.01Å; F540-M549 HydrophobicContact CE2-CG 3.96Å; F540-M549 HydrophobicContact CG-CE 3.98Å; F540-M549 HydrophobicContact CG-CG 3.58Å; F540-M549 HydrophobicContact CZ-CB 4.4Å; F540-M549 HydrophobicContact CZ-CG 4.12Å
541	N	93.2	Very high	92.2	Very high	37 Å²	37	59.2 Å²	59.2	20%	0.198	31%	0.314	C	S	.	.	G	3₁₀ helix	trans	-75.4	-12.8	170.6	-75	31.7	0	0	0	112.7	N491 P492 N493 L532 P538 Y539	N491-N541 PolarHBondContact ND2-ND2 3.24Å; N491-N541 PolarHBondContact OD1-ND2 3Å; P492-N541 HydrophobicContact CB-CB 3.85Å; P492-N541 HydrophobicContact CG-CB 3.82Å; N493-N541 WeakPolarHBondContact OD1-CB 3.42Å; N493-N541 PolarHBondContact OD1-ND2 3.35Å; L532-N541 PolarHBondContact O-ND2 3.38Å; P538-N541 WeakPolarHBondContact O-CB 3.49Å; P538-N541 PolarHBondContact O-N 3.34Å; P538-N541 VanDerWaalsContact O-N 3.12Å; Y539-N541 VanDerWaalsContact C-N 3.3Å; Y539-N541 PolarHBondContact O-N 3.43Å
542	E	91.9	Very high	92.3	Very high	44 Å²	44	64.2 Å²	64.2	21%	0.206	33%	0.328	C	S	.	.	S	Bend	trans	-77.1	131.8	177.2	-162.9	78.2	-83.8	0	0	110.5	R489 P492 G544 F545	R489-E542 IonicContact CZ-OE2 3.13Å; R489-E542 VanDerWaalsContact CZ-OE2 3.26Å; R489-E542 IonicContact NH1-OE2 3.08Å; R489-E542 PolarHBondContact NH1-OE2 2.92Å; R489-E542 IonicContact NH2-OE1 3.88Å; R489-E542 PolarHBondContact NH2-OE1 3.14Å; R489-E542 IonicContact NH2-OE2 3.71Å; R489-E542 PolarHBondContact NH2-OE2 3.17Å; P492-E542 HydrophobicContact CB-CB 4.08Å; P492-E542 HydrophobicContact CG-CB 4.06Å; E542-G544 PolarHBondContact O-N 3.46Å; E542-F545 HydrophobicContact CB-CD1 4.33Å; E542-F545 HydrophobicContact CB-CD2 3.8Å; E542-F545 HydrophobicContact CB-CE2 3.98Å; E542-F545 HydrophobicContact CB-CG 4Å; E542-F545 HydrophobicContact CB-CZ 4.34Å; E542-F545 HydrophobicContact CG-CD1 4.44Å; E542-F545 HydrophobicContact CG-CD2 4.37Å; E542-F545 HydrophobicContact CG-CE1 4.19Å; E542-F545 HydrophobicContact CG-CE2 4.11Å; E542-F545 HydrophobicContact CG-CZ 4.02Å; E542-F545 WeakPolarHBondContact O-CB 3.45Å; E542-F545 PolarHBondContact O-N 2.68Å; E542-F545 VanDerWaalsContact O-N 3.11Å
543	P	86.7	Confident	92.4	Very high	78 Å²	78	68 Å²	68	51%	0.506	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52	124.8	-172.2	-32.1	36.2	0	0	0	115.7	W508 F545	W508-P543 HydrophobicContact CH2-CG 3.51Å; W508-P543 HydrophobicContact CZ2-CG 3.51Å; P543-F545 VanDerWaalsContact C-N 3.29Å; P543-F545 PolarHBondContact O-N 3.2Å
544	G	87.2	Confident	92.2	Very high	29 Å²	29	68 Å²	68	30%	0.299	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	76	14	176.5	0	0	0	0	0	113.9	E542 E546 K547	E542-G544 PolarHBondContact O-N 3.46Å; G544-E546 VanDerWaalsContact C-OE2 3.23Å; G544-E546 WeakPolarHBondContact CA-OE2 3.42Å; G544-E546 PolarHBondContact N-OE2 3.33Å; G544-K547 VanDerWaalsContact O-CD 3.25Å; G544-K547 WeakPolarHBondContact O-CD 3.3Å; G544-K547 WeakPolarHBondContact O-CE 3.37Å; G544-K547 WeakPolarHBondContact O-CG 3.31Å; G544-K547 PolarHBondContact O-NZ 3.37Å
545	F	90.7	Very high	92.2	Very high	65 Å²	65	70.3 Å²	70.3	29%	0.285	35%	0.348	S	S	.	.			trans	-88.1	-17.2	170.4	-75.6	24	0	0	0	111.9	Y539 F540 E542 P543 K547 Y548	Y539-F545 HydrophobicContact CD2-CD2 4.25Å; Y539-F545 HydrophobicContact CD2-CE2 4.41Å; Y539-F545 AromaticContact CE1-CD2 3.93Å; Y539-F545 HydrophobicContact CE1-CD2 3.93Å; Y539-F545 AromaticContact CE2-CD2 3.61Å; Y539-F545 HydrophobicContact CE2-CD2 3.61Å; Y539-F545 AromaticContact CE2-CE2 3.58Å; Y539-F545 HydrophobicContact CE2-CE2 3.58Å; Y539-F545 AromaticContact CZ-CD2 3.41Å; Y539-F545 VanDerWaalsContact CZ-CD2 3.41Å; Y539-F545 AromaticContact CZ-CE2 3.7Å; Y539-F545 WeakPolarHBondContact OH-CD2 3.42Å; F540-F545 HydrophobicContact CD1-CB 4.4Å; F540-F545 WeakPolarHBondContact CD1-O 3.37Å; E542-F545 HydrophobicContact CB-CD1 4.33Å; E542-F545 HydrophobicContact CB-CD2 3.8Å; E542-F545 HydrophobicContact CB-CE2 3.98Å; E542-F545 HydrophobicContact CB-CG 4Å; E542-F545 HydrophobicContact CB-CZ 4.34Å; E542-F545 HydrophobicContact CG-CD1 4.44Å; E542-F545 HydrophobicContact CG-CD2 4.37Å; E542-F545 HydrophobicContact CG-CE1 4.19Å; E542-F545 HydrophobicContact CG-CE2 4.11Å; E542-F545 HydrophobicContact CG-CZ 4.02Å; E542-F545 WeakPolarHBondContact O-CB 3.45Å; E542-F545 PolarHBondContact O-N 2.68Å; E542-F545 VanDerWaalsContact O-N 3.11Å; P543-F545 VanDerWaalsContact C-N 3.29Å; P543-F545 PolarHBondContact O-N 3.2Å; F545-K547 PolarHBondContact O-N 3.05Å; F545-K547 VanDerWaalsContact O-N 3.15Å; F545-Y548 HydrophobicContact CB-CD2 4.43Å; F545-Y548 WeakPolarHBondContact O-CB 3.47Å; F545-Y548 WeakPolarHBondContact O-CD2 3.4Å; F545-Y548 PolarHBondContact O-N 3.35Å
546	E	88.8	Confident	92	Very high	68 Å²	68	70.5 Å²	70.5	32%	0.318	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-56.5	-33.8	-179	-47.8	95.9	125.1	0	0	111.9	S128 G544 Y548 M549	S128-E546 PolarHBondContact OG-OE1 2.97Å; G544-E546 VanDerWaalsContact C-OE2 3.23Å; G544-E546 WeakPolarHBondContact CA-OE2 3.42Å; G544-E546 PolarHBondContact N-OE2 3.33Å; E546-Y548 PolarHBondContact O-N 3.44Å; E546-M549 HydrophobicContact CB-CE 4.16Å; E546-M549 HydrophobicContact CB-SD 4.38Å; E546-M549 HydrophobicContact CG-CE 4.26Å; E546-M549 VanDerWaalsContact O-CB 3.3Å; E546-M549 WeakPolarHBondContact O-CB 3.23Å; E546-M549 VanDerWaalsContact O-CG 3.28Å; E546-M549 WeakPolarHBondContact O-CG 3.2Å; E546-M549 PolarHBondContact O-N 3.16Å
547	K	89.5	Confident	91.8	Very high	141 Å²	141	65.7 Å²	65.7	61%	0.613	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-58.5	-14.3	174.5	73.6	-164	-178.6	-133.8	0	114.6	G544 F545	G544-K547 VanDerWaalsContact O-CD 3.25Å; G544-K547 WeakPolarHBondContact O-CD 3.3Å; G544-K547 WeakPolarHBondContact O-CE 3.37Å; G544-K547 WeakPolarHBondContact O-CG 3.31Å; G544-K547 PolarHBondContact O-NZ 3.37Å; F545-K547 PolarHBondContact O-N 3.05Å; F545-K547 VanDerWaalsContact O-N 3.15Å
548	Y	89.5	Confident	91.7	Very high	101 Å²	101	62.4 Å²	62.4	40%	0.396	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-99.1	-6.2	176.1	-53.1	-56.3	0	0	0	113.7	F545 E546 C550 T551	F545-Y548 HydrophobicContact CB-CD2 4.43Å; F545-Y548 WeakPolarHBondContact O-CB 3.47Å; F545-Y548 WeakPolarHBondContact O-CD2 3.4Å; F545-Y548 PolarHBondContact O-N 3.35Å; E546-Y548 PolarHBondContact O-N 3.44Å; Y548-C550 VanDerWaalsContact C-N 3.28Å; Y548-C550 PolarHBondContact O-N 2.86Å; Y548-T551 WeakPolarHBondContact O-CB 3.21Å; Y548-T551 PolarHBondContact O-N 3.25Å; Y548-T551 PolarHBondContact O-OG1 3.34Å
549	M	88.6	Confident	91.6	Very high	82 Å²	82	68.1 Å²	68.1	40%	0.404	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.1	-43.7	-176.1	-79.6	178	175.7	0	0	113.5	F540 E546 T551 Q555	F540-M549 HydrophobicContact CB-CE 3.47Å; F540-M549 VanDerWaalsContact CB-CE 3.47Å; F540-M549 HydrophobicContact CB-CG 4.12Å; F540-M549 HydrophobicContact CD1-CG 3.74Å; F540-M549 HydrophobicContact CD2-CE 4.26Å; F540-M549 HydrophobicContact CD2-CG 3.69Å; F540-M549 HydrophobicContact CE1-CB 4.44Å; F540-M549 HydrophobicContact CE1-CG 4.01Å; F540-M549 HydrophobicContact CE2-CG 3.96Å; F540-M549 HydrophobicContact CG-CE 3.98Å; F540-M549 HydrophobicContact CG-CG 3.58Å; F540-M549 HydrophobicContact CZ-CB 4.4Å; F540-M549 HydrophobicContact CZ-CG 4.12Å; E546-M549 HydrophobicContact CB-CE 4.16Å; E546-M549 HydrophobicContact CB-SD 4.38Å; E546-M549 HydrophobicContact CG-CE 4.26Å; E546-M549 VanDerWaalsContact O-CB 3.3Å; E546-M549 WeakPolarHBondContact O-CB 3.23Å; E546-M549 VanDerWaalsContact O-CG 3.28Å; E546-M549 WeakPolarHBondContact O-CG 3.2Å; E546-M549 PolarHBondContact O-N 3.16Å; M549-T551 VanDerWaalsContact C-N 3.32Å; M549-T551 PolarHBondContact O-N 2.98Å; M549-Q555 WeakPolarHBondContact O-CG 3.43Å; M549-Q555 PolarHBondContact O-NE2 3.2Å
550	C	90.3	Very high	91.4	Very high	135 Å²	135	69 Å²	69	91%	0.912	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.2	16.1	-178.7	-55.6	0	0	0	0	113.6	Y548	Y548-C550 VanDerWaalsContact C-N 3.28Å; Y548-C550 PolarHBondContact O-N 2.86Å
551	T	93.3	Very high	91.4	Very high	53 Å²	53	71 Å²	71	33%	0.325	35%	0.348	S	S	.	.	S	Bend	trans	-110.2	143.4	179.2	72.2	0	0	0	0	110.8	Y548 M549 R553 G554 Q555	Y548-T551 WeakPolarHBondContact O-CB 3.21Å; Y548-T551 PolarHBondContact O-N 3.25Å; Y548-T551 PolarHBondContact O-OG1 3.34Å; M549-T551 VanDerWaalsContact C-N 3.32Å; M549-T551 PolarHBondContact O-N 2.98Å; T551-R553 PolarHBondContact O-N 3.16Å; T551-G554 PolarHBondContact O-N 2.97Å; T551-G554 PolarHBondContact OG1-N 2.66Å; T551-Q555 WeakPolarHBondContact O-CB 3.45Å; T551-Q555 WeakPolarHBondContact O-CG 3.5Å; T551-Q555 PolarHBondContact O-N 3.11Å
552	E	93.4	Very high	91.4	Very high	158 Å²	158	70 Å²	70	74%	0.738	34%	0.342	S	S	*	.	H	α-helix	trans	-56.6	-39.9	177.4	-176.5	176.7	-157.9	0	0	112.2	Q555 H556	E552-Q555 PolarHBondContact O-N 3.02Å; E552-H556 WeakPolarHBondContact O-CB 3.45Å; E552-H556 PolarHBondContact O-N 3.35Å
553	R	92.1	Very high	91.4	Very high	154 Å²	154	69.6 Å²	69.6	58%	0.581	34%	0.341	S	S	*	.	H	α-helix	trans	-64.3	-46.9	176.4	-176.6	175.6	177.7	172.6	0.3	112.4	T551 Q555 H556 L557	T551-R553 PolarHBondContact O-N 3.16Å; R553-Q555 VanDerWaalsContact C-N 3.33Å; R553-Q555 PolarHBondContact O-N 3.46Å; R553-H556 PolarHBondContact O-N 3.13Å; R553-L557 HydrophobicContact CG-CD1 4.14Å; R553-L557 WeakPolarHBondContact O-CG 3.41Å; R553-L557 PolarHBondContact O-N 3.39Å
554	G	91.9	Very high	91.7	Very high	1 Å²	1	69.3 Å²	69.3	1%	0.01	33%	0.333	C	S	.	.	H	α-helix	trans	-62.7	-41.7	176.6	0	0	0	0	0	111.9	T551 H556 L557 S558	T551-G554 PolarHBondContact O-N 2.97Å; T551-G554 PolarHBondContact OG1-N 2.66Å; G554-H556 PolarHBondContact O-N 2.89Å; G554-L557 PolarHBondContact O-N 3.39Å; G554-S558 WeakPolarHBondContact O-CB 3.39Å; G554-S558 PolarHBondContact O-N 2.9Å
555	Q	94.6	Very high	92	Very high	52 Å²	52	68.3 Å²	68.3	24%	0.243	32%	0.32	C	S	.	.	H	α-helix	trans	-64	-36.1	174.4	-80.4	-68.2	-40.2	0	0	113.2	E537 M549 T551 E552 R553 R559	E537-Q555 PolarHBondContact OE1-NE2 2.92Å; E537-Q555 PolarHBondContact OE2-NE2 3.13Å; M549-Q555 WeakPolarHBondContact O-CG 3.43Å; M549-Q555 PolarHBondContact O-NE2 3.2Å; T551-Q555 WeakPolarHBondContact O-CB 3.45Å; T551-Q555 WeakPolarHBondContact O-CG 3.5Å; T551-Q555 PolarHBondContact O-N 3.11Å; E552-Q555 PolarHBondContact O-N 3.02Å; R553-Q555 VanDerWaalsContact C-N 3.33Å; R553-Q555 PolarHBondContact O-N 3.46Å; Q555-R559 WeakPolarHBondContact O-CG 3.36Å; Q555-R559 PolarHBondContact O-N 3.46Å; Q555-R559 VanDerWaalsContact O-N 3.11Å; Q555-R559 PolarHBondContact O-NE 2.89Å; Q555-R559 PolarHBondContact O-NH1 3.22Å
556	H	91.9	Very high	92.2	Very high	41 Å²	41	67 Å²	67	19%	0.19	31%	0.313	C	S	.	.	H	α-helix	trans	-65.8	-46.5	171.9	-179.1	91	0	0	0	111.6	E552 R553 G554 R559 N560	E552-H556 WeakPolarHBondContact O-CB 3.45Å; E552-H556 PolarHBondContact O-N 3.35Å; R553-H556 PolarHBondContact O-N 3.13Å; G554-H556 PolarHBondContact O-N 2.89Å; H556-R559 PolarHBondContact O-N 3.42Å; H556-N560 PolarHBondContact CD2-ND2 2.73Å; H556-N560 VanDerWaalsContact CD2-ND2 3.28Å; H556-N560 PolarHBondContact NE2-ND2 3.15Å; H556-N560 VanDerWaalsContact O-CG 3.28Å; H556-N560 PolarHBondContact O-N 2.78Å; H556-N560 PolarHBondContact O-OD1 3.22Å
557	L	92.9	Very high	92.5	Very high	30 Å²	30	64.2 Å²	64.2	16%	0.157	30%	0.301	C	S	.	.	H	α-helix	trans	-64.5	-41	178.8	-67	169.3	0	0	0	112.2	Y539 R553 G554 R559 N560 Y561	Y539-L557 HydrophobicContact CD1-CB 4.44Å; Y539-L557 HydrophobicContact CE1-CB 3.86Å; Y539-L557 HydrophobicContact CE2-CB 4.03Å; Y539-L557 WeakPolarHBondContact OH-CD1 3.36Å; R553-L557 HydrophobicContact CG-CD1 4.14Å; R553-L557 WeakPolarHBondContact O-CG 3.41Å; R553-L557 PolarHBondContact O-N 3.39Å; G554-L557 PolarHBondContact O-N 3.39Å; L557-R559 PolarHBondContact O-N 3.31Å; L557-N560 PolarHBondContact O-N 3.11Å; L557-Y561 WeakPolarHBondContact O-CB 3.37Å; L557-Y561 PolarHBondContact O-N 2.95Å
558	S	94.6	Very high	92.7	Very high	0 Å²	0	58.1 Å²	58.1	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-56.4	-47.1	171.5	176.7	0	0	0	0	112.1	E537 G554 N560 Y561 N562	E537-S558 VanDerWaalsContact OE1-CB 3.31Å; E537-S558 WeakPolarHBondContact OE1-CB 3.3Å; E537-S558 PolarHBondContact OE1-OG 2.91Å; G554-S558 WeakPolarHBondContact O-CB 3.39Å; G554-S558 PolarHBondContact O-N 2.9Å; S558-N560 PolarHBondContact O-N 2.77Å; S558-Y561 PolarHBondContact O-N 2.78Å; S558-N562 VanDerWaalsContact O-CB 3.25Å; S558-N562 WeakPolarHBondContact O-CB 3.35Å; S558-N562 VanDerWaalsContact O-CG 3.26Å; S558-N562 PolarHBondContact O-N 3.43Å
559	R	93.5	Very high	93.1	Very high	121 Å²	121	53.3 Å²	53.3	46%	0.457	26%	0.258	S	S	.	.	H	α-helix	trans	-61.3	-42.9	176.8	-76.1	-175.1	-66.5	-94.8	8.2	112.9	Q555 H556 L557 N562 Q563	Q555-R559 WeakPolarHBondContact O-CG 3.36Å; Q555-R559 PolarHBondContact O-N 3.46Å; Q555-R559 VanDerWaalsContact O-N 3.11Å; Q555-R559 PolarHBondContact O-NE 2.89Å; Q555-R559 PolarHBondContact O-NH1 3.22Å; H556-R559 PolarHBondContact O-N 3.42Å; L557-R559 PolarHBondContact O-N 3.31Å; R559-N562 PolarHBondContact O-N 3.44Å; R559-Q563 PolarHBondContact O-N 2.93Å
560	N	90.9	Very high	93.5	Very high	51 Å²	51	49.5 Å²	49.5	27%	0.273	24%	0.239	S	C	.	.	H	α-helix	trans	-66.8	-44.7	179.9	-63.9	-4.6	0	0	0	111.6	H556 L557 S558 N562 Q563 Q564	H556-N560 PolarHBondContact CD2-ND2 2.73Å; H556-N560 VanDerWaalsContact CD2-ND2 3.28Å; H556-N560 PolarHBondContact NE2-ND2 3.15Å; H556-N560 VanDerWaalsContact O-CG 3.28Å; H556-N560 PolarHBondContact O-N 2.78Å; H556-N560 PolarHBondContact O-OD1 3.22Å; L557-N560 PolarHBondContact O-N 3.11Å; S558-N560 PolarHBondContact O-N 2.77Å; N560-N562 VanDerWaalsContact C-N 3.34Å; N560-N562 PolarHBondContact O-N 2.95Å; N560-Q563 PolarHBondContact O-N 3.07Å; N560-Q564 PolarHBondContact O-N 3.46Å
561	Y	93.1	Very high	93.8	Very high	50 Å²	50	46.1 Å²	46.1	20%	0.196	21%	0.21	C	C	.	.	H	α-helix	trans	-58.8	-46.9	173.9	-173.8	-103.8	0	0	0	110.9	P538 Y539 L557 S558 Q563 Q564 L565	P538-Y561 HydrophobicContact CB-CE1 4.12Å; P538-Y561 HydrophobicContact CG-CD1 4.18Å; P538-Y561 HydrophobicContact CG-CE1 3.9Å; Y539-Y561 HydrophobicContact CD2-CG 4.45Å; L557-Y561 WeakPolarHBondContact O-CB 3.37Å; L557-Y561 PolarHBondContact O-N 2.95Å; S558-Y561 PolarHBondContact O-N 2.78Å; Y561-Q563 VanDerWaalsContact C-N 3.3Å; Y561-Q563 PolarHBondContact O-N 2.97Å; Y561-Q564 PolarHBondContact O-N 3.28Å; Y561-L565 HydrophobicContact CD1-CD2 4.25Å; Y561-L565 HydrophobicContact CE1-CD2 3.71Å; Y561-L565 VanDerWaalsContact O-CB 3.27Å; Y561-L565 WeakPolarHBondContact O-CB 3.2Å; Y561-L565 PolarHBondContact O-N 3.01Å
562	N	94.2	Very high	94	Very high	15 Å²	15	44.1 Å²	44.1	8%	0.08	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-28.7	177.8	-78.6	-5.3	0	0	0	113.9	P455 K536 P538 S558 R559 N560 R566	P455-N562 HydrophobicContact CB-CB 4.39Å; K536-N562 PolarHBondContact O-ND2 3.25Å; P538-N562 WeakPolarHBondContact CD-OD1 3.42Å; S558-N562 VanDerWaalsContact O-CB 3.25Å; S558-N562 WeakPolarHBondContact O-CB 3.35Å; S558-N562 VanDerWaalsContact O-CG 3.26Å; S558-N562 PolarHBondContact O-N 3.43Å; R559-N562 PolarHBondContact O-N 3.44Å; N560-N562 VanDerWaalsContact C-N 3.34Å; N560-N562 PolarHBondContact O-N 2.95Å; N562-R566 WeakPolarHBondContact O-CG 3.39Å; N562-R566 VanDerWaalsContact O-CZ 3.31Å; N562-R566 PolarHBondContact O-N 3.13Å; N562-R566 PolarHBondContact O-NH1 2.89Å
563	Q	92.2	Very high	94.2	Very high	36 Å²	36	36.6 Å²	36.6	17%	0.168	16%	0.162	C	C	.	.	H	α-helix	trans	-69.2	-46.7	174.9	-179.7	176.7	-2	0	0	111.4	R559 N560 Y561 L565 R566 H567 E610	R559-Q563 PolarHBondContact O-N 2.93Å; N560-Q563 PolarHBondContact O-N 3.07Å; Y561-Q563 VanDerWaalsContact C-N 3.3Å; Y561-Q563 PolarHBondContact O-N 2.97Å; Q563-L565 VanDerWaalsContact C-N 3.3Å; Q563-L565 PolarHBondContact O-N 3.13Å; Q563-R566 PolarHBondContact O-N 2.86Å; Q563-H567 PolarHBondContact O-N 3.28Å; Q563-E610 HydrophobicContact CG-CB 4.26Å; Q563-E610 VanDerWaalsContact NE2-C 3.34Å; Q563-E610 PolarHBondContact NE2-O 3.03Å
564	Q	91.7	Very high	94.4	Very high	73 Å²	73	29.2 Å²	29.2	34%	0.341	13%	0.134	S	C	.	.	H	α-helix	trans	-60.4	-45.1	174.9	-66.7	167.2	38.3	0	0	110.9	N560 Y561 R566 H567 A568 S632 L635	N560-Q564 PolarHBondContact O-N 3.46Å; Y561-Q564 PolarHBondContact O-N 3.28Å; Q564-R566 PolarHBondContact O-N 3.22Å; Q564-H567 PolarHBondContact O-N 2.87Å; Q564-A568 WeakPolarHBondContact O-CB 3.48Å; Q564-A568 PolarHBondContact O-N 2.81Å; Q564-S632 PolarHBondContact NE2-OG 3.06Å; Q564-L635 HydrophobicContact CB-CD1 4.41Å; Q564-L635 HydrophobicContact CG-CD1 4.28Å
565	L	94.4	Very high	94.7	Very high	8 Å²	8	29.4 Å²	29.4	4%	0.042	14%	0.135	C	C	.	.	H	α-helix	trans	-68.2	-34.6	-175.8	-167.2	55.2	0	0	0	113.1	P455 Y456 F490 P538 Y561 Q563 A568 T569	P455-L565 HydrophobicContact CB-CB 3.92Å; P455-L565 HydrophobicContact CB-CD2 3.97Å; P455-L565 HydrophobicContact CB-CG 3.89Å; P455-L565 HydrophobicContact CG-CB 4.5Å; P455-L565 HydrophobicContact CG-CD2 3.66Å; P455-L565 HydrophobicContact CG-CG 4.13Å; Y456-L565 HydrophobicContact CE1-CD1 4.22Å; Y456-L565 HydrophobicContact CE1-CD2 3.87Å; Y456-L565 HydrophobicContact CE1-CG 4.2Å; Y456-L565 HydrophobicContact CE2-CD2 4.37Å; F490-L565 HydrophobicContact CD1-CD1 3.49Å; F490-L565 VanDerWaalsContact CD1-CD1 3.49Å; F490-L565 HydrophobicContact CE1-CD1 3.97Å; F490-L565 HydrophobicContact CG-CD1 4.37Å; F490-L565 WeakPolarHBondContact O-CD1 3.35Å; P538-L565 HydrophobicContact CG-CD2 3.67Å; Y561-L565 HydrophobicContact CD1-CD2 4.25Å; Y561-L565 HydrophobicContact CE1-CD2 3.71Å; Y561-L565 VanDerWaalsContact O-CB 3.27Å; Y561-L565 WeakPolarHBondContact O-CB 3.2Å; Y561-L565 PolarHBondContact O-N 3.01Å; Q563-L565 VanDerWaalsContact C-N 3.3Å; Q563-L565 PolarHBondContact O-N 3.13Å; L565-A568 PolarHBondContact O-N 3.35Å; L565-T569 WeakPolarHBondContact O-CB 3.49Å; L565-T569 PolarHBondContact O-N 3.46Å; L565-T569 PolarHBondContact O-OG1 2.83Å; L565-T569 VanDerWaalsContact O-OG1 3.09Å
566	R	95.3	Very high	94.8	Very high	36 Å²	36	29.4 Å²	29.4	14%	0.136	14%	0.135	C	C	.	.	H	α-helix	trans	-60.6	-44.5	170.6	-83.7	-172.2	-69.5	-75.2	0.9	112.7	P455 N562 Q563 Q564 T569 L570 E610	P455-R566 HydrophobicContact CB-CG 4.12Å; N562-R566 WeakPolarHBondContact O-CG 3.39Å; N562-R566 VanDerWaalsContact O-CZ 3.31Å; N562-R566 PolarHBondContact O-N 3.13Å; N562-R566 PolarHBondContact O-NH1 2.89Å; Q563-R566 PolarHBondContact O-N 2.86Å; Q564-R566 PolarHBondContact O-N 3.22Å; R566-T569 PolarHBondContact O-N 3.27Å; R566-L570 PolarHBondContact O-N 3.02Å; R566-L570 VanDerWaalsContact O-N 3.13Å; R566-E610 IonicContact CZ-OE1 3.51Å; R566-E610 IonicContact CZ-OE2 3.23Å; R566-E610 VanDerWaalsContact CZ-OE2 3.23Å; R566-E610 IonicContact NE-OE1 3.4Å; R566-E610 PolarHBondContact NE-OE1 2.88Å; R566-E610 IonicContact NE-OE2 2.92Å; R566-E610 PolarHBondContact NE-OE2 3.15Å; R566-E610 IonicContact NH2-OE1 3.12Å; R566-E610 PolarHBondContact NH2-OE1 2.91Å; R566-E610 VanDerWaalsContact NH2-OE1 3.12Å; R566-E610 IonicContact NH2-OE2 2.72Å; R566-E610 PolarHBondContact NH2-OE2 3.23Å
567	H	94.1	Very high	95	Very high	11 Å²	11	28.2 Å²	28.2	5%	0.051	13%	0.129	C	C	.	.	H	α-helix	trans	-66.8	-44.4	177.4	169.1	-103.4	0	0	0	111.3	Q563 Q564 T569 L570 Q571 L635 T643	Q563-H567 PolarHBondContact O-N 3.28Å; Q564-H567 PolarHBondContact O-N 2.87Å; H567-T569 VanDerWaalsContact C-N 3.32Å; H567-T569 PolarHBondContact O-N 3.06Å; H567-L570 PolarHBondContact O-N 3.29Å; H567-L570 VanDerWaalsContact O-N 3.16Å; H567-Q571 PolarHBondContact CE1-OE1 3.03Å; H567-Q571 PolarHBondContact O-N 3.13Å; H567-L635 HydrophobicContact CB-CD1 3.57Å; H567-L635 WeakPolarHBondContact ND1-CD2 3.25Å; H567-T643 PolarHBondContact NE2-OG1 2.84Å
568	A	95.4	Very high	95.2	Very high	13 Å²	13	27.2 Å²	27.2	11%	0.107	12%	0.124	C	C	.	.	H	α-helix	trans	-60.7	-38.2	175.8	0	0	0	0	0	112.7	L488 F490 Q564 L565 Q571 V572	L488-A568 HydrophobicContact CD1-CB 4.18Å; L488-A568 HydrophobicContact CD2-CB 3.92Å; F490-A568 HydrophobicContact CE1-CB 4.38Å; F490-A568 HydrophobicContact CZ-CB 4.43Å; Q564-A568 WeakPolarHBondContact O-CB 3.48Å; Q564-A568 PolarHBondContact O-N 2.81Å; L565-A568 PolarHBondContact O-N 3.35Å; A568-Q571 PolarHBondContact O-N 3.22Å; A568-V572 PolarHBondContact O-N 3.03Å
569	T	97.6	Very high	95.2	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	14%	0.142	C	C	.	.	I	π-helix	trans	-60.7	-49	171.3	-72.2	0	0	0	0	111.8	P455 Y456 F461 L565 R566 H567 Q571 A573 V574	P455-T569 PolarHBondContact O-OG1 3.41Å; Y456-T569 WeakPolarHBondContact O-CG2 3.45Å; F461-T569 HydrophobicContact CZ-CG2 4.3Å; L565-T569 WeakPolarHBondContact O-CB 3.49Å; L565-T569 PolarHBondContact O-N 3.46Å; L565-T569 PolarHBondContact O-OG1 2.83Å; L565-T569 VanDerWaalsContact O-OG1 3.09Å; R566-T569 PolarHBondContact O-N 3.27Å; H567-T569 VanDerWaalsContact C-N 3.32Å; H567-T569 PolarHBondContact O-N 3.06Å; T569-Q571 VanDerWaalsContact C-N 3.35Å; T569-Q571 PolarHBondContact O-N 3.44Å; T569-A573 HydrophobicContact CG2-CB 4.38Å; T569-A573 CarbonylContact O-C 3.48Å; T569-A573 WeakPolarHBondContact O-CA 3.45Å; T569-A573 WeakPolarHBondContact O-CB 3.27Å; T569-A573 PolarHBondContact O-N 3.17Å; T569-V574 PolarHBondContact O-N 3.3Å
570	L	96.5	Very high	95.3	Very high	2 Å²	2	31.5 Å²	31.5	1%	0.01	15%	0.149	C	C	.	.	I	π-helix	trans	-62	-40.7	176.9	-74.2	172.1	0	0	0	112.5	R566 H567 L575 I600 Q603 A604 C607 T643	R566-L570 PolarHBondContact O-N 3.02Å; R566-L570 VanDerWaalsContact O-N 3.13Å; H567-L570 PolarHBondContact O-N 3.29Å; H567-L570 VanDerWaalsContact O-N 3.16Å; L570-L575 VanDerWaalsContact O-CB 3.25Å; L570-L575 WeakPolarHBondContact O-CB 3.47Å; L570-L575 PolarHBondContact O-N 3.3Å; L570-I600 HydrophobicContact CD2-CG2 4.26Å; L570-Q603 HydrophobicContact CD1-CG 4.18Å; L570-Q603 HydrophobicContact CD2-CB 4.35Å; L570-Q603 HydrophobicContact CD2-CG 3.98Å; L570-Q603 HydrophobicContact CG-CG 4.15Å; L570-A604 HydrophobicContact CD1-CB 4.2Å; L570-C607 HydrophobicContact CD1-CB 4.15Å; L570-C607 VanDerWaalsContact CD1-SG 3.56Å; L570-T643 HydrophobicContact CB-CG2 4.18Å
571	Q	96	Very high	95.4	Very high	63 Å²	63	29.5 Å²	29.5	29%	0.294	14%	0.139	S	C	.	.	I	π-helix	trans	-71.6	-53	-179.2	-178.8	174.3	-25.4	0	0	112.3	H567 A568 T569 L575 E576 T643	H567-Q571 PolarHBondContact CE1-OE1 3.03Å; H567-Q571 PolarHBondContact O-N 3.13Å; A568-Q571 PolarHBondContact O-N 3.22Å; T569-Q571 VanDerWaalsContact C-N 3.35Å; T569-Q571 PolarHBondContact O-N 3.44Å; Q571-L575 WeakPolarHBondContact O-CB 3.46Å; Q571-E576 PolarHBondContact O-N 3.39Å; Q571-T643 HydrophobicContact CB-CG2 3.91Å
572	V	97.1	Very high	95.3	Very high	11 Å²	11	28.1 Å²	28.1	7%	0.067	14%	0.14	C	C	.	.	I	π-helix	trans	-97.5	-44.8	-168	-169.9	0	0	0	0	111.6	T482 N484 L488 F490 A568	T482-V572 HydrophobicContact CG2-CG1 3.84Å; N484-V572 HydrophobicContact CB-CG1 4.06Å; N484-V572 HydrophobicContact CB-CG2 4.07Å; L488-V572 HydrophobicContact CD2-CB 4.31Å; L488-V572 HydrophobicContact CD2-CG2 3.76Å; F490-V572 HydrophobicContact CE2-CB 4.17Å; F490-V572 HydrophobicContact CE2-CG1 4.34Å; F490-V572 HydrophobicContact CZ-CB 4.18Å; A568-V572 PolarHBondContact O-N 3.03Å
573	A	97.8	Very high	95.3	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.16	C	C	.	.	I	π-helix	trans	-86.3	-13.3	-175.6	0	0	0	0	0	113.9	C460 F461 T482 F490 T569 Q577	C460-A573 WeakPolarHBondContact CB-O 3.44Å; C460-A573 PolarHBondContact N-O 3.32Å; F461-A573 HydrophobicContact CD1-CB 4.1Å; F461-A573 HydrophobicContact CE1-CB 3.56Å; F461-A573 HydrophobicContact CE2-CB 4.34Å; F461-A573 HydrophobicContact CZ-CB 3.69Å; T482-A573 HydrophobicContact CG2-CB 4.2Å; F490-A573 HydrophobicContact CZ-CB 4.29Å; T569-A573 HydrophobicContact CG2-CB 4.38Å; T569-A573 CarbonylContact O-C 3.48Å; T569-A573 WeakPolarHBondContact O-CA 3.45Å; T569-A573 WeakPolarHBondContact O-CB 3.27Å; T569-A573 PolarHBondContact O-N 3.17Å; A573-Q577 WeakPolarHBondContact O-CG 3.29Å
574	V	97.8	Very high	95.4	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.157	C	C	.	.	I	π-helix	trans	-113.2	-62.6	172	-176.9	0	0	0	0	111	T569 Q577 L578 V593 I600	T569-V574 PolarHBondContact O-N 3.3Å; V574-Q577 PolarHBondContact O-N 3.34Å; V574-L578 HydrophobicContact CG1-CD1 4.4Å; V574-L578 WeakPolarHBondContact O-CG 3.29Å; V574-L578 PolarHBondContact O-N 2.89Å; V574-V593 HydrophobicContact CG1-CG2 4.23Å; V574-I600 HydrophobicContact CG1-CD1 4.17Å; V574-I600 HydrophobicContact CG1-CG2 4.18Å
575	L	97.1	Very high	95.7	Very high	4 Å²	4	27.9 Å²	27.9	2%	0.021	14%	0.141	C	C	.	.	I	π-helix	trans	-68.8	-50.1	-171.1	173.7	66.4	0	0	0	113.5	L570 Q571 Q577 L578 R579 T643 V647 E650	L570-L575 VanDerWaalsContact O-CB 3.25Å; L570-L575 WeakPolarHBondContact O-CB 3.47Å; L570-L575 PolarHBondContact O-N 3.3Å; Q571-L575 WeakPolarHBondContact O-CB 3.46Å; L575-Q577 VanDerWaalsContact C-N 3.3Å; L575-Q577 PolarHBondContact O-N 3.36Å; L575-L578 WeakPolarHBondContact O-CB 3.42Å; L575-L578 PolarHBondContact O-N 3.25Å; L575-R579 WeakPolarHBondContact O-CG 3.32Å; L575-R579 PolarHBondContact O-N 3Å; L575-T643 HydrophobicContact CD2-CG2 4.38Å; L575-V647 HydrophobicContact CB-CG2 4.01Å; L575-V647 HydrophobicContact CD1-CG2 4.4Å; L575-E650 HydrophobicContact CD1-CB 4.34Å; L575-E650 HydrophobicContact CD1-CG 3.42Å; L575-E650 VanDerWaalsContact CD1-CG 3.42Å
576	E	96.7	Very high	95.7	Very high	53 Å²	53	29.8 Å²	29.8	25%	0.248	15%	0.149	C	C	.	.	H	α-helix	trans	-72.6	-23.4	177.2	-66.3	-46.7	129.4	0	0	113.3	Q571 R579 N580	Q571-E576 PolarHBondContact O-N 3.39Å; E576-R579 PolarHBondContact O-N 2.97Å; E576-R579 WeakPolarHBondContact OE1-CD 3.48Å; E576-R579 IonicContact OE1-CZ 3.32Å; E576-R579 IonicContact OE1-NE 3.33Å; E576-R579 IonicContact OE1-NH1 3.62Å; E576-R579 PolarHBondContact OE1-NH1 3.2Å; E576-R579 WeakPolarHBondContact OE2-CD 3.43Å; E576-N580 WeakPolarHBondContact O-CB 3.48Å; E576-N580 PolarHBondContact O-N 2.98Å; E576-N580 PolarHBondContact O-ND2 3.41Å; E576-N580 PolarHBondContact OE2-ND2 3.29Å
577	Q	96.7	Very high	95.7	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.07	15%	0.15	C	C	.	.	H	α-helix	trans	-67	-45.1	167.7	-74.5	-75.2	13.8	0	0	111.5	C460 A573 V574 L575 R579 N580 A581 V589	C460-Q577 HydrophobicContact CB-CB 4.36Å; C460-Q577 HydrophobicContact CB-CG 4.02Å; C460-Q577 PolarHBondContact O-NE2 2.97Å; A573-Q577 WeakPolarHBondContact O-CG 3.29Å; V574-Q577 PolarHBondContact O-N 3.34Å; L575-Q577 VanDerWaalsContact C-N 3.3Å; L575-Q577 PolarHBondContact O-N 3.36Å; Q577-R579 PolarHBondContact O-N 2.98Å; Q577-N580 PolarHBondContact O-N 3.22Å; Q577-A581 WeakPolarHBondContact O-CB 3.5Å; Q577-A581 PolarHBondContact O-N 3.29Å; Q577-V589 HydrophobicContact CB-CG1 3.94Å
578	L	95.7	Very high	95.8	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.052	15%	0.147	C	C	.	.	H	α-helix	trans	-57.8	-31.4	173.6	-78	170.8	0	0	0	113.3	V574 L575 V589 Y590 V593 E650 L654	V574-L578 HydrophobicContact CG1-CD1 4.4Å; V574-L578 WeakPolarHBondContact O-CG 3.29Å; V574-L578 PolarHBondContact O-N 2.89Å; L575-L578 WeakPolarHBondContact O-CB 3.42Å; L575-L578 PolarHBondContact O-N 3.25Å; L578-V589 HydrophobicContact CD2-CG1 4.39Å; L578-Y590 HydrophobicContact CD2-CD1 4.32Å; L578-Y590 WeakPolarHBondContact O-CE1 3.18Å; L578-V593 HydrophobicContact CD1-CG1 4.01Å; L578-V593 HydrophobicContact CD2-CB 3.97Å; L578-V593 HydrophobicContact CD2-CG1 3.85Å; L578-V593 HydrophobicContact CD2-CG2 4.11Å; L578-V593 HydrophobicContact CG-CG1 4.26Å; L578-V593 HydrophobicContact CG-CG2 4.35Å; L578-E650 HydrophobicContact CB-CB 4.36Å; L578-E650 HydrophobicContact CD1-CB 3.78Å; L578-L654 HydrophobicContact CD2-CD2 4.05Å
579	R	95.8	Very high	95.9	Very high	98 Å²	98	28.1 Å²	28.1	37%	0.37	14%	0.142	S	C	.	.	H	α-helix	trans	-83.5	-39.3	-178.1	-72.8	167.5	168.8	177.4	-4	113.4	L575 E576 Q577 E650	L575-R579 WeakPolarHBondContact O-CG 3.32Å; L575-R579 PolarHBondContact O-N 3Å; E576-R579 PolarHBondContact O-N 2.97Å; E576-R579 WeakPolarHBondContact OE1-CD 3.48Å; E576-R579 IonicContact OE1-CZ 3.32Å; E576-R579 IonicContact OE1-NE 3.33Å; E576-R579 IonicContact OE1-NH1 3.62Å; E576-R579 PolarHBondContact OE1-NH1 3.2Å; E576-R579 WeakPolarHBondContact OE2-CD 3.43Å; Q577-R579 PolarHBondContact O-N 2.98Å; R579-E650 HydrophobicContact CG-CG 4.32Å; R579-E650 IonicContact CZ-OE1 2.83Å; R579-E650 IonicContact NE-OE1 3.76Å; R579-E650 PolarHBondContact NE-OE1 2.91Å; R579-E650 IonicContact NH2-OE1 3.5Å; R579-E650 PolarHBondContact NH2-OE1 3.29Å
580	N	94.6	Very high	95.9	Very high	113 Å²	113	30.1 Å²	30.1	60%	0.604	15%	0.15	S	C	*	.	H	α-helix	trans	-127.9	7.3	-163.5	-46.6	-75.2	0	0	0	114.3	E576 Q577 G582	E576-N580 WeakPolarHBondContact O-CB 3.48Å; E576-N580 PolarHBondContact O-N 2.98Å; E576-N580 PolarHBondContact O-ND2 3.41Å; E576-N580 PolarHBondContact OE2-ND2 3.29Å; Q577-N580 PolarHBondContact O-N 3.22Å; N580-G582 PolarHBondContact O-N 2.96Å; N580-G582 VanDerWaalsContact O-N 3.12Å
581	A	93.5	Very high	95.8	Very high	8 Å²	8	30.5 Å²	30.5	7%	0.066	15%	0.151	C	C	.	.			trans	-56.7	118	176.7	0	0	0	0	0	111.2	Q577 V589	Q577-A581 WeakPolarHBondContact O-CB 3.5Å; Q577-A581 PolarHBondContact O-N 3.29Å; A581-V589 HydrophobicContact CB-CB 4.12Å; A581-V589 HydrophobicContact CB-CG1 4.43Å; A581-V589 HydrophobicContact CB-CG2 3.82Å
582	G	92.1	Very high	95.8	Very high	21 Å²	21	27.5 Å²	27.5	22%	0.216	14%	0.137	C	C	.	.			trans	-61.8	150.3	175.6	0	0	0	0	0	111.6	N580 Y584 F585 Q586	N580-G582 PolarHBondContact O-N 2.96Å; N580-G582 VanDerWaalsContact O-N 3.12Å; G582-Y584 PolarHBondContact O-N 3.2Å; G582-F585 CarbonylContact O-C 3.6Å; G582-F585 PolarHBondContact O-N 3.21Å; G582-Q586 PolarHBondContact O-N 2.9Å
583	D	92.7	Very high	95.8	Very high	94 Å²	94	27 Å²	27	50%	0.503	13%	0.134	S	C	.	.	H	α-helix	trans	-51.9	-32.7	-170.9	-52.8	-38.5	0	0	0	114.1	R375 W377 F585 Q586	R375-D583 PolarHBondContact NH2-O 3.42Å; R375-D583 VanDerWaalsContact NH2-O 3.08Å; W377-D583 HydrophobicContact CH2-CB 3.54Å; W377-D583 HydrophobicContact CZ2-CB 3.27Å; W377-D583 HydrophobicContact CZ3-CB 4.49Å; D583-F585 PolarHBondContact O-N 2.87Å; D583-Q586 PolarHBondContact O-N 2.69Å
584	Y	95	Very high	95.6	Very high	24 Å²	24	27.5 Å²	27.5	9%	0.094	14%	0.136	C	C	.	.	H	α-helix	trans	-58.9	-21.3	173.9	53.5	-93.3	0	0	0	114.4	R375 L388 K445 E462 G582	R375-Y584 PolarHBondContact NH2-O 3.41Å; L388-Y584 HydrophobicContact CB-CE1 4.46Å; L388-Y584 HydrophobicContact CD1-CD1 4.39Å; L388-Y584 HydrophobicContact CD1-CE1 3.95Å; L388-Y584 HydrophobicContact CD2-CD1 3.69Å; L388-Y584 HydrophobicContact CD2-CE1 3.87Å; L388-Y584 HydrophobicContact CG-CE1 4.33Å; K445-Y584 HydrophobicContact CD-CD2 3.81Å; K445-Y584 HydrophobicContact CD-CE1 4.41Å; K445-Y584 HydrophobicContact CD-CE2 3.38Å; K445-Y584 HydrophobicContact CD-CG 4.49Å; E462-Y584 PolarHBondContact OE1-OH 2.93Å; G582-Y584 PolarHBondContact O-N 3.2Å
585	F	97.2	Very high	95.4	Very high	2 Å²	2	28.9 Å²	28.9	1%	0.009	14%	0.144	C	C	.	.	H	α-helix	trans	-130.5	-2.3	170.9	-72.9	-43.6	0	0	0	115.7	F433 C435 K445 L447 E462 G582 D583 D587 V588 V589	F433-F585 HydrophobicContact CB-CE1 4.04Å; C435-F585 HydrophobicContact CB-CE1 3.92Å; C435-F585 HydrophobicContact CB-CZ 3.84Å; K445-F585 HydrophobicContact CB-CE2 3.84Å; K445-F585 HydrophobicContact CB-CZ 4.27Å; L447-F585 HydrophobicContact CB-CD1 4.14Å; L447-F585 HydrophobicContact CB-CD2 3.82Å; L447-F585 HydrophobicContact CB-CE1 3.99Å; L447-F585 HydrophobicContact CB-CE2 3.65Å; L447-F585 HydrophobicContact CB-CG 4.09Å; L447-F585 HydrophobicContact CB-CZ 3.75Å; L447-F585 HydrophobicContact CD1-CB 3.84Å; L447-F585 HydrophobicContact CD1-CD1 4.37Å; L447-F585 HydrophobicContact CD1-CD2 3.95Å; L447-F585 HydrophobicContact CD1-CG 3.83Å; E462-F585 HydrophobicContact CG-CD2 4.2Å; E462-F585 HydrophobicContact CG-CE2 4.11Å; G582-F585 CarbonylContact O-C 3.6Å; G582-F585 PolarHBondContact O-N 3.21Å; D583-F585 PolarHBondContact O-N 2.87Å; F585-D587 VanDerWaalsContact C-N 3.35Å; F585-D587 PolarHBondContact O-N 3.32Å; F585-V588 HydrophobicContact CD1-CB 4.43Å; F585-V588 HydrophobicContact CD1-CG2 4.15Å; F585-V588 WeakPolarHBondContact O-CA 3.46Å; F585-V588 WeakPolarHBondContact O-CB 3.5Å; F585-V588 PolarHBondContact O-N 3.47Å; F585-V589 PolarHBondContact O-N 3.3Å
586	Q	95.5	Very high	95.3	Very high	47 Å²	47	29 Å²	29	22%	0.22	14%	0.144	C	C	.	.	H	α-helix	trans	-48.2	-51.7	-179.8	-173.2	-178.9	110.3	0	0	112.9	G582 D583 V588 V589 Y590	G582-Q586 PolarHBondContact O-N 2.9Å; D583-Q586 PolarHBondContact O-N 2.69Å; Q586-V588 VanDerWaalsContact C-N 3.28Å; Q586-V588 PolarHBondContact O-N 3.18Å; Q586-V589 PolarHBondContact O-N 3.27Å; Q586-Y590 HydrophobicContact CG-CD1 4.06Å; Q586-Y590 HydrophobicContact CG-CD2 4.18Å; Q586-Y590 HydrophobicContact CG-CE1 3.75Å; Q586-Y590 HydrophobicContact CG-CE2 3.87Å; Q586-Y590 HydrophobicContact CG-CG 4.26Å; Q586-Y590 VanDerWaalsContact O-CB 3.28Å; Q586-Y590 WeakPolarHBondContact O-CB 3.33Å; Q586-Y590 VanDerWaalsContact O-CD1 3.32Å; Q586-Y590 WeakPolarHBondContact O-CD1 3.33Å; Q586-Y590 PolarHBondContact O-N 3.47Å
587	D	94.8	Very high	95.2	Very high	26 Å²	26	28 Å²	28	14%	0.139	14%	0.138	C	C	.	.	H	α-helix	trans	-57.9	-36.3	176	-84.2	31	0	0	0	113.7	L372 R375 F585 Q591 R661	L372-D587 HydrophobicContact CD1-CB 4.24Å; L372-D587 HydrophobicContact CD2-CB 4.34Å; R375-D587 IonicContact NH1-OD2 3.19Å; F585-D587 VanDerWaalsContact C-N 3.35Å; F585-D587 PolarHBondContact O-N 3.32Å; D587-Q591 VanDerWaalsContact O-CB 3.31Å; D587-Q591 WeakPolarHBondContact O-CB 3.39Å; D587-Q591 VanDerWaalsContact O-CG 3.29Å; D587-Q591 WeakPolarHBondContact O-CG 3.3Å; D587-Q591 PolarHBondContact O-N 2.91Å; D587-R661 VanDerWaalsContact CG-NH2 3.29Å; D587-R661 IonicContact OD1-CZ 2.64Å; D587-R661 IonicContact OD1-NH1 2.75Å; D587-R661 IonicContact OD1-NH2 2.7Å; D587-R661 PolarHBondContact OD1-NH2 2.86Å; D587-R661 IonicContact OD2-CZ 2.75Å; D587-R661 IonicContact OD2-NH1 3.15Å; D587-R661 PolarHBondContact OD2-NH1 3.07Å; D587-R661 IonicContact OD2-NH2 2.9Å; D587-R661 PolarHBondContact OD2-NH2 3.2Å; D587-R661 VanDerWaalsContact OD2-NH2 3.17Å
588	V	97	Very high	95.1	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	16%	0.156	C	C	.	.	H	α-helix	trans	-68.1	-50.7	178.3	172.1	0	0	0	0	109.8	M369 L372 F433 L447 F585 Q586 Y590 H592	M369-V588 HydrophobicContact CE-CB 4.49Å; M369-V588 HydrophobicContact CE-CG1 4.02Å; M369-V588 WeakPolarHBondContact CE-O 3.47Å; L372-V588 HydrophobicContact CB-CG2 3.74Å; L372-V588 HydrophobicContact CD1-CG2 4.12Å; F433-V588 HydrophobicContact CB-CG1 4.24Å; F433-V588 HydrophobicContact CB-CG2 4.44Å; F433-V588 HydrophobicContact CD1-CB 4.47Å; F433-V588 HydrophobicContact CD1-CG1 3.74Å; F433-V588 HydrophobicContact CD1-CG2 3.82Å; F433-V588 HydrophobicContact CD2-CG1 3.55Å; F433-V588 HydrophobicContact CE1-CG1 3.97Å; F433-V588 HydrophobicContact CE1-CG2 4.37Å; F433-V588 HydrophobicContact CE2-CG1 3.74Å; F433-V588 HydrophobicContact CG-CG1 3.56Å; F433-V588 HydrophobicContact CG-CG2 4.17Å; F433-V588 HydrophobicContact CZ-CG1 3.98Å; L447-V588 HydrophobicContact CD1-CG1 4.3Å; L447-V588 HydrophobicContact CD2-CG1 4.05Å; F585-V588 HydrophobicContact CD1-CB 4.43Å; F585-V588 HydrophobicContact CD1-CG2 4.15Å; F585-V588 WeakPolarHBondContact O-CA 3.46Å; F585-V588 WeakPolarHBondContact O-CB 3.5Å; F585-V588 PolarHBondContact O-N 3.47Å; Q586-V588 VanDerWaalsContact C-N 3.28Å; Q586-V588 PolarHBondContact O-N 3.18Å; V588-Y590 PolarHBondContact O-N 3.34Å; V588-H592 WeakPolarHBondContact O-CB 3.39Å; V588-H592 PolarHBondContact O-N 2.9Å
589	V	97.5	Very high	95	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-47.1	179.6	177.7	0	0	0	0	110.3	L447 C460 Q577 L578 A581 F585 Q586 H592 V593	L447-V589 HydrophobicContact CD1-CG2 3.78Å; C460-V589 HydrophobicContact CB-CG2 4.28Å; Q577-V589 HydrophobicContact CB-CG1 3.94Å; L578-V589 HydrophobicContact CD2-CG1 4.39Å; A581-V589 HydrophobicContact CB-CB 4.12Å; A581-V589 HydrophobicContact CB-CG1 4.43Å; A581-V589 HydrophobicContact CB-CG2 3.82Å; F585-V589 PolarHBondContact O-N 3.3Å; Q586-V589 PolarHBondContact O-N 3.27Å; V589-H592 PolarHBondContact O-N 2.99Å; V589-V593 HydrophobicContact CG1-CG2 4.41Å; V589-V593 WeakPolarHBondContact O-CB 3.44Å; V589-V593 WeakPolarHBondContact O-CG2 3.28Å; V589-V593 PolarHBondContact O-N 3.45Å
590	Y	96.1	Very high	95.1	Very high	41 Å²	41	27.4 Å²	27.4	16%	0.161	14%	0.144	C	C	.	.	H	α-helix	trans	-67.2	-42.8	-175.7	-77.6	26.9	0	0	0	111.8	L578 Q586 V588 W594 L654 W657	L578-Y590 HydrophobicContact CD2-CD1 4.32Å; L578-Y590 WeakPolarHBondContact O-CE1 3.18Å; Q586-Y590 HydrophobicContact CG-CD1 4.06Å; Q586-Y590 HydrophobicContact CG-CD2 4.18Å; Q586-Y590 HydrophobicContact CG-CE1 3.75Å; Q586-Y590 HydrophobicContact CG-CE2 3.87Å; Q586-Y590 HydrophobicContact CG-CG 4.26Å; Q586-Y590 VanDerWaalsContact O-CB 3.28Å; Q586-Y590 WeakPolarHBondContact O-CB 3.33Å; Q586-Y590 VanDerWaalsContact O-CD1 3.32Å; Q586-Y590 WeakPolarHBondContact O-CD1 3.33Å; Q586-Y590 PolarHBondContact O-N 3.47Å; V588-Y590 PolarHBondContact O-N 3.34Å; Y590-W594 VanDerWaalsContact O-CB 3.23Å; Y590-W594 WeakPolarHBondContact O-CB 3.47Å; Y590-W594 PolarHBondContact O-N 3.37Å; Y590-L654 HydrophobicContact CD2-CD1 3.81Å; Y590-L654 HydrophobicContact CG-CD1 3.74Å; Y590-W657 AromaticContact CD2-CD2 3.6Å; Y590-W657 HydrophobicContact CD2-CD2 3.6Å; Y590-W657 AromaticContact CD2-CE2 3.45Å; Y590-W657 VanDerWaalsContact CD2-CE2 3.45Å; Y590-W657 AromaticContact CD2-CE3 3.89Å; Y590-W657 HydrophobicContact CD2-CE3 3.89Å; Y590-W657 HydrophobicContact CD2-CG 4.06Å; Y590-W657 AromaticContact CD2-CH2 3.88Å; Y590-W657 HydrophobicContact CD2-CH2 3.88Å; Y590-W657 AromaticContact CD2-CZ2 3.59Å; Y590-W657 HydrophobicContact CD2-CZ2 3.59Å; Y590-W657 HydrophobicContact CD2-CZ3 4.03Å; Y590-W657 AromaticContact CD2-NE1 3.86Å; Y590-W657 AromaticContact CE2-CD1 3.91Å; Y590-W657 HydrophobicContact CE2-CD2 4.11Å; Y590-W657 AromaticContact CE2-CE2 3.8Å; Y590-W657 HydrophobicContact CE2-CG 4.15Å; Y590-W657 HydrophobicContact CE2-CZ2 4.21Å; Y590-W657 AromaticContact CE2-NE1 3.7Å; Y590-W657 HydrophobicContact CG-CH2 4.39Å; Y590-W657 HydrophobicContact CG-CZ2 4.44Å
591	Q	95.2	Very high	95.1	Very high	10 Å²	10	25 Å²	25	5%	0.047	13%	0.134	C	C	.	.	H	α-helix	trans	-71.5	-42.2	176.1	-68	-171	39.4	0	0	112.2	M369 D587 V593 W594 L595 L666	M369-Q591 HydrophobicContact CE-CB 4.31Å; M369-Q591 HydrophobicContact SD-CB 3.52Å; M369-Q591 VanDerWaalsContact SD-CB 3.52Å; D587-Q591 VanDerWaalsContact O-CB 3.31Å; D587-Q591 WeakPolarHBondContact O-CB 3.39Å; D587-Q591 VanDerWaalsContact O-CG 3.29Å; D587-Q591 WeakPolarHBondContact O-CG 3.3Å; D587-Q591 PolarHBondContact O-N 2.91Å; Q591-V593 PolarHBondContact O-N 3.05Å; Q591-W594 PolarHBondContact O-N 3.27Å; Q591-L595 WeakPolarHBondContact O-CB 3.36Å; Q591-L595 WeakPolarHBondContact O-CD1 3.09Å; Q591-L595 VanDerWaalsContact O-CG 3.25Å; Q591-L595 WeakPolarHBondContact O-CG 3.44Å; Q591-L595 PolarHBondContact O-N 2.85Å; Q591-L666 HydrophobicContact CG-CD1 3.83Å; Q591-L666 HydrophobicContact CG-CD2 4.3Å
592	H	96.6	Very high	95.1	Very high	0 Å²	0	31.1 Å²	31.1	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-56.4	-52.2	176.4	178.4	76	0	0	0	111.1	Y365 M369 N458 V588 V589 L595 K596	Y365-H592 AromaticContact CE2-ND1 3.47Å; Y365-H592 WeakPolarHBondContact CE2-ND1 3.35Å; Y365-H592 AromaticContact CZ-ND1 3.62Å; Y365-H592 PolarHBondContact OH-ND1 3.05Å; M369-H592 HydrophobicContact CE-CB 4.05Å; N458-H592 PolarHBondContact O-NE2 3.3Å; V588-H592 WeakPolarHBondContact O-CB 3.39Å; V588-H592 PolarHBondContact O-N 2.9Å; V589-H592 PolarHBondContact O-N 2.99Å; H592-L595 PolarHBondContact O-N 3.25Å; H592-K596 WeakPolarHBondContact O-CB 3.4Å; H592-K596 VanDerWaalsContact O-CG 3.3Å; H592-K596 WeakPolarHBondContact O-CG 3.38Å; H592-K596 PolarHBondContact O-N 2.97Å
593	V	96.1	Very high	95.2	Very high	0 Å²	0	30.8 Å²	30.8	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-67.5	-37.6	-179.4	172.5	0	0	0	0	112	V574 L578 V589 Q591 L595 K596 R597 I600 L651 L654	V574-V593 HydrophobicContact CG1-CG2 4.23Å; L578-V593 HydrophobicContact CD1-CG1 4.01Å; L578-V593 HydrophobicContact CD2-CB 3.97Å; L578-V593 HydrophobicContact CD2-CG1 3.85Å; L578-V593 HydrophobicContact CD2-CG2 4.11Å; L578-V593 HydrophobicContact CG-CG1 4.26Å; L578-V593 HydrophobicContact CG-CG2 4.35Å; V589-V593 HydrophobicContact CG1-CG2 4.41Å; V589-V593 WeakPolarHBondContact O-CB 3.44Å; V589-V593 WeakPolarHBondContact O-CG2 3.28Å; V589-V593 PolarHBondContact O-N 3.45Å; Q591-V593 PolarHBondContact O-N 3.05Å; V593-L595 VanDerWaalsContact C-N 3.33Å; V593-L595 PolarHBondContact O-N 3.18Å; V593-K596 CarbonylContact O-C 3.58Å; V593-K596 PolarHBondContact O-N 3.11Å; V593-R597 WeakPolarHBondContact O-CA 3.34Å; V593-R597 WeakPolarHBondContact O-CB 3.38Å; V593-R597 PolarHBondContact O-N 3.48Å; V593-I600 HydrophobicContact CB-CD1 4.12Å; V593-I600 HydrophobicContact CG1-CD1 3.71Å; V593-I600 HydrophobicContact CG2-CD1 4.06Å; V593-L651 HydrophobicContact CG1-CD2 3.59Å; V593-L654 HydrophobicContact CB-CD2 4.08Å; V593-L654 HydrophobicContact CG1-CD2 3.81Å
594	W	94.7	Very high	95.3	Very high	12 Å²	12	26.3 Å²	26.3	5%	0.045	13%	0.13	C	C	.	.	H	α-helix	trans	-61.6	-42.4	176	176.9	-109.7	0	0	0	112.2	Y590 Q591 R597 L654 E655 I658 L666 T669 I670	Y590-W594 VanDerWaalsContact O-CB 3.23Å; Y590-W594 WeakPolarHBondContact O-CB 3.47Å; Y590-W594 PolarHBondContact O-N 3.37Å; Q591-W594 PolarHBondContact O-N 3.27Å; W594-R597 WeakPolarHBondContact O-CD 3.3Å; W594-R597 WeakPolarHBondContact O-CG 3.48Å; W594-L654 HydrophobicContact CB-CD2 3.97Å; W594-L654 HydrophobicContact CB-CG 4.27Å; W594-L654 HydrophobicContact CE3-CG 4.3Å; W594-E655 HydrophobicContact CH2-CB 4.2Å; W594-E655 HydrophobicContact CH2-CG 3.99Å; W594-E655 HydrophobicContact CZ3-CB 3.75Å; W594-E655 HydrophobicContact CZ3-CG 4.07Å; W594-I658 HydrophobicContact CB-CD1 3.88Å; W594-I658 HydrophobicContact CB-CG1 4.08Å; W594-I658 HydrophobicContact CD2-CB 4.45Å; W594-I658 HydrophobicContact CD2-CD1 4.43Å; W594-I658 HydrophobicContact CD2-CG1 3.82Å; W594-I658 HydrophobicContact CD2-CG2 4.48Å; W594-I658 HydrophobicContact CE3-CG1 4.26Å; W594-I658 HydrophobicContact CG-CD1 3.76Å; W594-I658 HydrophobicContact CG-CG1 3.68Å; W594-L666 PolarHBondContact NE1-O 3.23Å; W594-T669 PolarHBondContact NE1-OG1 3.35Å; W594-I670 HydrophobicContact CH2-CG1 4.29Å; W594-I670 HydrophobicContact CZ2-CB 4.43Å; W594-I670 HydrophobicContact CZ2-CG1 3.57Å
595	L	93.9	Very high	95.2	Very high	29 Å²	29	29.8 Å²	29.8	15%	0.152	15%	0.147	C	C	.	.	H	α-helix	trans	-77.5	-24.2	-178.8	-67.7	163.8	0	0	0	112.8	V364 Y365 A368 M369 Q591 H592 V593 L666 T669	V364-L595 HydrophobicContact CG1-CD2 4.01Å; Y365-L595 HydrophobicContact CD2-CB 4Å; Y365-L595 HydrophobicContact CD2-CD1 4.12Å; A368-L595 HydrophobicContact CB-CD1 3.78Å; M369-L595 HydrophobicContact CG-CD1 4.38Å; M369-L595 HydrophobicContact SD-CD1 4.15Å; Q591-L595 WeakPolarHBondContact O-CB 3.36Å; Q591-L595 WeakPolarHBondContact O-CD1 3.09Å; Q591-L595 VanDerWaalsContact O-CG 3.25Å; Q591-L595 WeakPolarHBondContact O-CG 3.44Å; Q591-L595 PolarHBondContact O-N 2.85Å; H592-L595 PolarHBondContact O-N 3.25Å; V593-L595 VanDerWaalsContact C-N 3.33Å; V593-L595 PolarHBondContact O-N 3.18Å; L595-L666 HydrophobicContact CD1-CD2 4.03Å; L595-L666 HydrophobicContact CD2-CD2 4.08Å; L595-L666 HydrophobicContact CG-CD2 4.13Å; L595-T669 HydrophobicContact CD2-CG2 4.49Å
596	K	94.7	Very high	94.9	Very high	6 Å²	6	34.4 Å²	34.4	3%	0.026	17%	0.167	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	8.2	177.2	-61.1	-109.2	67	170.7	0	113.3	Y365 E428 D452 N458 H592 V593 D598 S599 I600	Y365-K596 HydrophobicContact CE2-CG 4.28Å; E428-K596 HydrophobicContact CG-CD 4.46Å; E428-K596 VanDerWaalsContact O-CD 3.25Å; E428-K596 WeakPolarHBondContact O-CD 3.47Å; E428-K596 WeakPolarHBondContact O-CE 3.43Å; E428-K596 PolarHBondContact O-NZ 2.67Å; E428-K596 VanDerWaalsContact OE1-CE 3.24Å; E428-K596 WeakPolarHBondContact OE1-CE 3.1Å; E428-K596 IonicContact OE1-NZ 3.36Å; E428-K596 PolarHBondContact OE1-NZ 2.92Å; D452-K596 IonicContact OD1-NZ 3.78Å; D452-K596 IonicContact OD2-NZ 2.66Å; N458-K596 WeakPolarHBondContact OD1-CD 3.16Å; H592-K596 WeakPolarHBondContact O-CB 3.4Å; H592-K596 VanDerWaalsContact O-CG 3.3Å; H592-K596 WeakPolarHBondContact O-CG 3.38Å; H592-K596 PolarHBondContact O-N 2.97Å; V593-K596 CarbonylContact O-C 3.58Å; V593-K596 PolarHBondContact O-N 3.11Å; K596-D598 VanDerWaalsContact C-N 3.26Å; K596-D598 PolarHBondContact O-N 3.09Å; K596-D598 VanDerWaalsContact O-N 3.1Å; K596-S599 WeakPolarHBondContact O-CA 3.33Å; K596-S599 VanDerWaalsContact O-CB 3.28Å; K596-S599 WeakPolarHBondContact O-CB 3.41Å; K596-S599 PolarHBondContact O-N 3.47Å; K596-I600 HydrophobicContact CB-CD1 4.1Å; K596-I600 HydrophobicContact CB-CG1 4.42Å; K596-I600 WeakPolarHBondContact O-CG1 3.29Å; K596-I600 PolarHBondContact O-N 3.07Å
597	R	94.5	Very high	94.7	Very high	31 Å²	31	32.4 Å²	32.4	12%	0.117	16%	0.158	C	C	.	.	H	α-helix	trans	-51	-41.1	-171	69.1	-175.9	-173.2	-111.1	3.5	113.6	V593 W594 I600 V601 L651 T669 S672	V593-R597 WeakPolarHBondContact O-CA 3.34Å; V593-R597 WeakPolarHBondContact O-CB 3.38Å; V593-R597 PolarHBondContact O-N 3.48Å; W594-R597 WeakPolarHBondContact O-CD 3.3Å; W594-R597 WeakPolarHBondContact O-CG 3.48Å; R597-I600 WeakPolarHBondContact O-CB 3.4Å; R597-I600 PolarHBondContact O-N 3.43Å; R597-V601 WeakPolarHBondContact O-CG2 3.45Å; R597-V601 PolarHBondContact O-N 2.87Å; R597-L651 HydrophobicContact CB-CD2 3.96Å; R597-T669 VanDerWaalsContact CZ-O 3.26Å; R597-T669 PolarHBondContact NH1-O 3.31Å; R597-T669 PolarHBondContact NH2-O 3.49Å; R597-S672 PolarHBondContact NH2-OXT 2.82Å
598	D	93.3	Very high	94.4	Very high	87 Å²	87	32.7 Å²	32.7	47%	0.465	16%	0.159	S	C	.	.	H	α-helix	trans	-74.1	-35.6	-176.9	-48.3	-56.3	0	0	0	111.5	K596 I600 V601 Q602	K596-D598 VanDerWaalsContact C-N 3.26Å; K596-D598 PolarHBondContact O-N 3.09Å; K596-D598 VanDerWaalsContact O-N 3.1Å; D598-I600 VanDerWaalsContact C-N 3.34Å; D598-V601 PolarHBondContact O-N 3.23Å; D598-Q602 WeakPolarHBondContact O-CB 3.43Å; D598-Q602 WeakPolarHBondContact O-CG 3.41Å; D598-Q602 PolarHBondContact O-N 3.18Å; D598-Q602 PolarHBondContact O-NE2 2.64Å
599	S	95.2	Very high	94.1	Very high	24 Å²	24	36.8 Å²	36.8	17%	0.168	18%	0.181	C	C	.	.	H	α-helix	trans	-61.9	-41.7	169.3	173.7	0	0	0	0	111	N458 K596 Q602 Q603	N458-S599 VanDerWaalsContact CG-OG 3.3Å; N458-S599 PolarHBondContact ND2-OG 3.33Å; N458-S599 PolarHBondContact OD1-OG 3.25Å; K596-S599 WeakPolarHBondContact O-CA 3.33Å; K596-S599 VanDerWaalsContact O-CB 3.28Å; K596-S599 WeakPolarHBondContact O-CB 3.41Å; K596-S599 PolarHBondContact O-N 3.47Å; S599-Q602 PolarHBondContact O-N 3.07Å; S599-Q603 WeakPolarHBondContact O-CB 3.37Å; S599-Q603 PolarHBondContact O-N 3.22Å
600	I	96.4	Very high	93.6	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-67.5	-42.6	178	-68.8	166.3	0	0	0	111.2	N458 L570 V574 V593 K596 R597 D598 Q603 A604 V647	N458-I600 HydrophobicContact CB-CD1 4.04Å; N458-I600 HydrophobicContact CB-CG1 3.5Å; N458-I600 VanDerWaalsContact CB-CG1 3.5Å; L570-I600 HydrophobicContact CD2-CG2 4.26Å; V574-I600 HydrophobicContact CG1-CD1 4.17Å; V574-I600 HydrophobicContact CG1-CG2 4.18Å; V593-I600 HydrophobicContact CB-CD1 4.12Å; V593-I600 HydrophobicContact CG1-CD1 3.71Å; V593-I600 HydrophobicContact CG2-CD1 4.06Å; K596-I600 HydrophobicContact CB-CD1 4.1Å; K596-I600 HydrophobicContact CB-CG1 4.42Å; K596-I600 WeakPolarHBondContact O-CG1 3.29Å; K596-I600 PolarHBondContact O-N 3.07Å; R597-I600 WeakPolarHBondContact O-CB 3.4Å; R597-I600 PolarHBondContact O-N 3.43Å; D598-I600 VanDerWaalsContact C-N 3.34Å; I600-Q603 PolarHBondContact O-N 2.8Å; I600-A604 VanDerWaalsContact O-CB 3.26Å; I600-A604 WeakPolarHBondContact O-CB 3.26Å; I600-A604 PolarHBondContact O-N 3.14Å; I600-V647 HydrophobicContact CG2-CG1 3.66Å
601	V	94.7	Very high	93	Very high	62 Å²	62	36.9 Å²	36.9	38%	0.376	18%	0.184	S	C	.	.	H	α-helix	trans	-64.6	-40	175.1	170.5	0	0	0	0	111.3	R597 D598 A604 Q605 L651	R597-V601 WeakPolarHBondContact O-CG2 3.45Å; R597-V601 PolarHBondContact O-N 2.87Å; D598-V601 PolarHBondContact O-N 3.23Å; V601-A604 PolarHBondContact O-N 2.91Å; V601-Q605 PolarHBondContact O-N 3.49Å; V601-L651 HydrophobicContact CG2-CD1 3.87Å
602	Q	95	Very high	92.6	Very high	138 Å²	138	40.5 Å²	40.5	65%	0.645	20%	0.202	S	C	*	.	H	α-helix	trans	-64.8	-42.3	174	-72.1	169.5	43.9	0	0	112.3	D598 S599 A604 Q605 K606	D598-Q602 WeakPolarHBondContact O-CB 3.43Å; D598-Q602 WeakPolarHBondContact O-CG 3.41Å; D598-Q602 PolarHBondContact O-N 3.18Å; D598-Q602 PolarHBondContact O-NE2 2.64Å; S599-Q602 PolarHBondContact O-N 3.07Å; Q602-A604 VanDerWaalsContact C-N 3.35Å; Q602-Q605 PolarHBondContact O-N 3.26Å; Q602-K606 WeakPolarHBondContact O-CB 3.38Å; Q602-K606 PolarHBondContact O-N 3.5Å
603	Q	94.6	Very high	91.9	Very high	13 Å²	13	45.9 Å²	45.9	6%	0.061	23%	0.23	C	C	.	.	H	α-helix	trans	-62	-41.8	174	-175.7	-175	10.4	0	0	111.5	Q457 N458 L570 S599 I600 K606 C607	Q457-Q603 PolarHBondContact O-NE2 3.44Å; Q457-Q603 PolarHBondContact O-OE1 3.01Å; N458-Q603 PolarHBondContact ND2-OE1 3.44Å; L570-Q603 HydrophobicContact CD1-CG 4.18Å; L570-Q603 HydrophobicContact CD2-CB 4.35Å; L570-Q603 HydrophobicContact CD2-CG 3.98Å; L570-Q603 HydrophobicContact CG-CG 4.15Å; S599-Q603 WeakPolarHBondContact O-CB 3.37Å; S599-Q603 PolarHBondContact O-N 3.22Å; I600-Q603 PolarHBondContact O-N 2.8Å; Q603-K606 PolarHBondContact O-N 3.22Å; Q603-C607 PolarHBondContact O-N 3.4Å; Q603-C607 PolarHBondContact O-SG 2.86Å
604	A	94.3	Very high	91	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.008	24%	0.242	C	C	.	.	H	α-helix	trans	-62.3	-48.3	176.3	0	0	0	0	0	111.9	L570 I600 V601 Q602 K606 C607 M608 V644	L570-A604 HydrophobicContact CD1-CB 4.2Å; I600-A604 VanDerWaalsContact O-CB 3.26Å; I600-A604 WeakPolarHBondContact O-CB 3.26Å; I600-A604 PolarHBondContact O-N 3.14Å; V601-A604 PolarHBondContact O-N 2.91Å; Q602-A604 VanDerWaalsContact C-N 3.35Å; A604-K606 VanDerWaalsContact C-N 3.33Å; A604-K606 PolarHBondContact O-N 3.22Å; A604-C607 PolarHBondContact O-N 2.78Å; A604-M608 PolarHBondContact O-N 3.06Å; A604-V644 HydrophobicContact CB-CB 4.47Å; A604-V644 HydrophobicContact CB-CG1 4.09Å; A604-V644 HydrophobicContact CB-CG2 3.95Å; A604-V644 WeakPolarHBondContact O-CG2 3.16Å
605	Q	92.4	Very high	90	Very high	96 Å²	96	52.3 Å²	52.3	45%	0.449	26%	0.261	S	S	.	.	H	α-helix	trans	-63	-38.1	175	-172.1	61	53.7	0	0	112.1	V601 Q602 M608 N609	V601-Q605 PolarHBondContact O-N 3.49Å; Q602-Q605 PolarHBondContact O-N 3.26Å; Q605-M608 PolarHBondContact O-N 3.02Å; Q605-N609 PolarHBondContact NE2-OD1 3.05Å; Q605-N609 PolarHBondContact O-N 3.31Å; Q605-N609 PolarHBondContact O-OD1 3.35Å
606	K	91.5	Very high	89.1	Confident	100 Å²	100	54.6 Å²	54.6	44%	0.435	28%	0.277	S	S	.	.	H	α-helix	trans	-60.5	-46.5	174.8	178.3	173.7	176.2	174.9	0	111.8	Q602 Q603 A604 M608 N609 E610	Q602-K606 WeakPolarHBondContact O-CB 3.38Å; Q602-K606 PolarHBondContact O-N 3.5Å; Q603-K606 PolarHBondContact O-N 3.22Å; A604-K606 VanDerWaalsContact C-N 3.33Å; A604-K606 PolarHBondContact O-N 3.22Å; K606-M608 VanDerWaalsContact C-N 3.31Å; K606-M608 PolarHBondContact O-N 2.87Å; K606-N609 PolarHBondContact O-N 2.78Å; K606-E610 WeakPolarHBondContact CE-OE1 3.3Å; K606-E610 HydrophobicContact CG-CG 4.48Å; K606-E610 WeakPolarHBondContact CG-OE1 3.38Å; K606-E610 VanDerWaalsContact O-CG 3.32Å; K606-E610 WeakPolarHBondContact O-CG 3.48Å; K606-E610 PolarHBondContact O-N 3.41Å
607	C	90.3	Very high	87.9	Confident	5 Å²	5	57.5 Å²	57.5	3%	0.034	30%	0.295	C	S	.	.	H	α-helix	trans	-61.7	-40	177	-62.8	0	0	0	0	111.9	L570 Q603 A604 E610 A611 V640	L570-C607 HydrophobicContact CD1-CB 4.15Å; L570-C607 VanDerWaalsContact CD1-SG 3.56Å; Q603-C607 PolarHBondContact O-N 3.4Å; Q603-C607 PolarHBondContact O-SG 2.86Å; A604-C607 PolarHBondContact O-N 2.78Å; C607-E610 PolarHBondContact O-N 3.39Å; C607-A611 WeakPolarHBondContact O-CB 3.35Å; C607-A611 PolarHBondContact O-N 2.91Å; C607-V640 HydrophobicContact CB-CG1 4.11Å
608	M	89.5	Confident	86.3	Confident	31 Å²	31	60 Å²	60	15%	0.153	32%	0.317	C	S	.	.	H	α-helix	trans	-62.9	-44.6	175.7	-167.9	62.5	173.8	0	0	111.9	A604 Q605 K606 A611 M612 L637 V640 A641 V644	A604-M608 PolarHBondContact O-N 3.06Å; Q605-M608 PolarHBondContact O-N 3.02Å; K606-M608 VanDerWaalsContact C-N 3.31Å; K606-M608 PolarHBondContact O-N 2.87Å; M608-A611 PolarHBondContact O-N 3.08Å; M608-M612 HydrophobicContact CE-CE 3.8Å; M608-M612 HydrophobicContact CG-CE 4.16Å; M608-M612 WeakPolarHBondContact O-CG 3.43Å; M608-M612 PolarHBondContact O-N 3.05Å; M608-L637 HydrophobicContact CE-CD1 3.76Å; M608-L637 HydrophobicContact CE-CG 4.3Å; M608-L637 HydrophobicContact SD-CD1 3.61Å; M608-V640 HydrophobicContact SD-CG1 4.23Å; M608-A641 HydrophobicContact CE-CB 3.63Å; M608-A641 HydrophobicContact SD-CB 4.03Å; M608-V644 HydrophobicContact CB-CG2 4.48Å
609	N	90.4	Very high	84.6	Confident	87 Å²	87	62.1 Å²	62.1	47%	0.465	33%	0.329	S	S	.	.	H	α-helix	trans	-62.9	-44	176.7	-67	-5.8	0	0	0	111.9	Q605 K606 A611 M612 L613	Q605-N609 PolarHBondContact NE2-OD1 3.05Å; Q605-N609 PolarHBondContact O-N 3.31Å; Q605-N609 PolarHBondContact O-OD1 3.35Å; K606-N609 PolarHBondContact O-N 2.78Å; N609-A611 VanDerWaalsContact C-N 3.33Å; N609-A611 PolarHBondContact O-N 3.05Å; N609-M612 PolarHBondContact O-N 2.79Å; N609-L613 PolarHBondContact O-N 3.17Å
610	E	86.5	Confident	82.7	Confident	38 Å²	38	69.1 Å²	69.1	18%	0.178	36%	0.356	C	S	.	.	H	α-helix	trans	-62	-39.5	177	-71.3	173.1	-179.4	0	0	111.6	Q563 R566 K606 C607 L613 V614	Q563-E610 HydrophobicContact CG-CB 4.26Å; Q563-E610 VanDerWaalsContact NE2-C 3.34Å; Q563-E610 PolarHBondContact NE2-O 3.03Å; R566-E610 IonicContact CZ-OE1 3.51Å; R566-E610 IonicContact CZ-OE2 3.23Å; R566-E610 VanDerWaalsContact CZ-OE2 3.23Å; R566-E610 IonicContact NE-OE1 3.4Å; R566-E610 PolarHBondContact NE-OE1 2.88Å; R566-E610 IonicContact NE-OE2 2.92Å; R566-E610 PolarHBondContact NE-OE2 3.15Å; R566-E610 IonicContact NH2-OE1 3.12Å; R566-E610 PolarHBondContact NH2-OE1 2.91Å; R566-E610 VanDerWaalsContact NH2-OE1 3.12Å; R566-E610 IonicContact NH2-OE2 2.72Å; R566-E610 PolarHBondContact NH2-OE2 3.23Å; K606-E610 WeakPolarHBondContact CE-OE1 3.3Å; K606-E610 HydrophobicContact CG-CG 4.48Å; K606-E610 WeakPolarHBondContact CG-OE1 3.38Å; K606-E610 VanDerWaalsContact O-CG 3.32Å; K606-E610 WeakPolarHBondContact O-CG 3.48Å; K606-E610 PolarHBondContact O-N 3.41Å; C607-E610 PolarHBondContact O-N 3.39Å; E610-L613 PolarHBondContact O-N 2.8Å; E610-V614 PolarHBondContact O-N 3.45Å
611	A	84	Confident	80.3	Confident	4 Å²	4	71.7 Å²	71.7	3%	0.033	38%	0.383	C	S	.	.	H	α-helix	trans	-70.1	-36.4	174.9	0	0	0	0	0	113.4	C607 M608 N609 L613 K615 L637 V640	C607-A611 WeakPolarHBondContact O-CB 3.35Å; C607-A611 PolarHBondContact O-N 2.91Å; M608-A611 PolarHBondContact O-N 3.08Å; N609-A611 VanDerWaalsContact C-N 3.33Å; N609-A611 PolarHBondContact O-N 3.05Å; A611-L613 VanDerWaalsContact C-N 3.33Å; A611-K615 PolarHBondContact O-N 3.48Å; A611-L637 HydrophobicContact CB-CD1 3.7Å; A611-V640 HydrophobicContact CB-CB 4.29Å; A611-V640 HydrophobicContact CB-CG1 4.42Å; A611-V640 HydrophobicContact CB-CG2 4.02Å
612	M	85.4	Confident	77.8	Confident	87 Å²	87	77.4 Å²	77.4	43%	0.429	41%	0.406	S	S	.	.	H	α-helix	trans	-64.5	-37.2	174.1	-74.3	-166.6	-173.6	0	0	112.3	M608 N609 K615 T616 L637	M608-M612 HydrophobicContact CE-CE 3.8Å; M608-M612 HydrophobicContact CG-CE 4.16Å; M608-M612 WeakPolarHBondContact O-CG 3.43Å; M608-M612 PolarHBondContact O-N 3.05Å; N609-M612 PolarHBondContact O-N 2.79Å; M612-K615 PolarHBondContact O-N 3.14Å; M612-T616 PolarHBondContact O-N 3.02Å; M612-T616 PolarHBondContact O-OG1 3.36Å; M612-L637 HydrophobicContact CG-CD1 3.67Å; M612-L637 HydrophobicContact CG-CD2 4.05Å
613	L	83.3	Confident	75.2	Confident	112 Å²	112	76.6 Å²	76.6	59%	0.586	41%	0.405	S	S	*	.	H	α-helix	trans	-63.9	-47.8	179.1	-173.8	62.9	0	0	0	111.1	N609 E610 A611 K615 T616 T617	N609-L613 PolarHBondContact O-N 3.17Å; E610-L613 PolarHBondContact O-N 2.8Å; A611-L613 VanDerWaalsContact C-N 3.33Å; L613-K615 VanDerWaalsContact C-N 3.29Å; L613-K615 PolarHBondContact O-N 3.48Å; L613-T616 WeakPolarHBondContact CA-OG1 3.48Å; L613-T616 PolarHBondContact O-N 3.16Å; L613-T616 VanDerWaalsContact O-N 3.13Å; L613-T616 PolarHBondContact O-OG1 2.87Å; L613-T617 PolarHBondContact O-N 3.22Å; L613-T617 PolarHBondContact O-OG1 2.92Å
614	V	76.7	Confident	72.7	Confident	42 Å²	42	86.7 Å²	86.7	26%	0.255	44%	0.443	S	S	.	.	H	α-helix	trans	-63.3	-35	178.8	179.9	0	0	0	0	111.9	E610 T617 S618 A634	E610-V614 PolarHBondContact O-N 3.45Å; V614-T617 PolarHBondContact O-OG1 3.42Å; V614-T617 VanDerWaalsContact O-OG1 3.06Å; V614-S618 WeakPolarHBondContact O-CB 3.49Å; V614-S618 PolarHBondContact O-N 3.46Å; V614-S618 VanDerWaalsContact O-N 3.13Å; V614-S618 PolarHBondContact O-OG 2.88Å; V614-A634 HydrophobicContact CG1-CB 3.71Å
615	K	73.9	Confident	70	Confident	105 Å²	105	96 Å²	96	46%	0.457	48%	0.484	S	S	.	.	H	α-helix	trans	-66.8	-39.4	173.9	-170	175.9	-177	177.1	0	112.4	A611 M612 L613 N619 L637	A611-K615 PolarHBondContact O-N 3.48Å; M612-K615 PolarHBondContact O-N 3.14Å; L613-K615 VanDerWaalsContact C-N 3.29Å; L613-K615 PolarHBondContact O-N 3.48Å; K615-N619 PolarHBondContact O-N 2.94Å; K615-L637 HydrophobicContact CD-CB 4.29Å; K615-L637 HydrophobicContact CD-CD2 3.62Å
616	T	73.9	Confident	67.3	Low	78 Å²	78	97.4 Å²	97.4	48%	0.479	49%	0.493	S	S	.	.	H	α-helix	trans	-77.1	-33.2	-179.2	44.4	0	0	0	0	113.5	M612 L613 K620	M612-T616 PolarHBondContact O-N 3.02Å; M612-T616 PolarHBondContact O-OG1 3.36Å; L613-T616 WeakPolarHBondContact CA-OG1 3.48Å; L613-T616 PolarHBondContact O-N 3.16Å; L613-T616 VanDerWaalsContact O-N 3.13Å; L613-T616 PolarHBondContact O-OG1 2.87Å; T616-K620 PolarHBondContact O-N 3.12Å
617	T	69.2	Low	64.5	Low	66 Å²	66	97 Å²	97	41%	0.405	50%	0.495	S	S	.	.	H	α-helix	trans	-66.5	-40.4	170.1	54.4	0	0	0	0	111.5	L613 V614 N619 K620	L613-T617 PolarHBondContact O-N 3.22Å; L613-T617 PolarHBondContact O-OG1 2.92Å; V614-T617 PolarHBondContact O-OG1 3.42Å; V614-T617 VanDerWaalsContact O-OG1 3.06Å; T617-N619 VanDerWaalsContact C-N 3.31Å; T617-N619 PolarHBondContact O-N 3.42Å; T617-K620 PolarHBondContact O-N 3.32Å
618	S	62.1	Low	61.8	Low	83 Å²	83	105 Å²	105	58%	0.58	53%	0.526	S	S	*	.	H	α-helix	trans	-60.7	-38.9	177.6	-60.2	0	0	0	0	112.7	V614 K620	V614-S618 WeakPolarHBondContact O-CB 3.49Å; V614-S618 PolarHBondContact O-N 3.46Å; V614-S618 VanDerWaalsContact O-N 3.13Å; V614-S618 PolarHBondContact O-OG 2.88Å; S618-K620 VanDerWaalsContact C-N 3.32Å; S618-K620 PolarHBondContact O-N 2.83Å
619	N	58.1	Low	59	Low	133 Å²	133	107.4 Å²	107.4	71%	0.711	55%	0.551	S	S	*	*	H	α-helix	trans	-74.2	-14.9	178.6	-79	9.7	0	0	0	114.4	K615 T617	K615-N619 PolarHBondContact O-N 2.94Å; T617-N619 VanDerWaalsContact C-N 3.31Å; T617-N619 PolarHBondContact O-N 3.42Å
620	K	55	Low	56.3	Low	170 Å²	170	106 Å²	106	74%	0.739	55%	0.548	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86	-7.5	-175.6	-85.4	-170.5	171.1	-168.6	0	115.2	T616 T617 S618 E622	T616-K620 PolarHBondContact O-N 3.12Å; T617-K620 PolarHBondContact O-N 3.32Å; S618-K620 VanDerWaalsContact C-N 3.32Å; S618-K620 PolarHBondContact O-N 2.83Å; K620-E622 PolarHBondContact O-N 3.25Å
621	G	45.9	Very low	53.9	Low	55 Å²	55	112.2 Å²	112.2	57%	0.567	58%	0.583	S	S	*	*			trans	73	-41.2	166.7	0	0	0	0	0	117.6
622	E	41.6	Very low	52.2	Low	182 Å²	182	115.2 Å²	115.2	85%	0.85	60%	0.603	S	S	*	*	S	Bend	trans	-87.5	-32.9	-162.2	-62	-176	126.3	0	0	114.6	K620 R624	K620-E622 PolarHBondContact O-N 3.25Å; E622-R624 VanDerWaalsContact C-N 3.25Å; E622-R624 PolarHBondContact O-N 2.98Å; E622-R624 VanDerWaalsContact O-N 3.07Å
623	D	40.2	Very low	50.8	Low	120 Å²	120	119.9 Å²	119.9	64%	0.642	62%	0.624	S	S	*	*			trans	-82.6	23.6	-172.5	-94.5	-42.7	0	0	0	116	K625 L626	D623-K625 PolarHBondContact O-N 3.33Å; D623-L626 PolarHBondContact O-N 3.49Å; D623-L626 VanDerWaalsContact O-N 3.14Å
624	R	42.2	Very low	49.9	Very low	225 Å²	225	117.7 Å²	117.7	85%	0.849	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-4	173.6	-81.2	-170.3	172.8	-164.3	-1.7	114.6	E622	E622-R624 VanDerWaalsContact C-N 3.25Å; E622-R624 PolarHBondContact O-N 2.98Å; E622-R624 VanDerWaalsContact O-N 3.07Å
625	K	38.4	Very low	49.6	Very low	198 Å²	198	118 Å²	118	86%	0.861	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.2	-12.9	175	-74.4	-179.8	176.7	175.4	0	114.7	D623	D623-K625 PolarHBondContact O-N 3.33Å
626	L	34.7	Very low	49.9	Very low	125 Å²	125	116 Å²	116	65%	0.654	62%	0.621	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.5	-12.5	-179.1	-86.7	163.4	0	0	0	114.5	D623	D623-L626 PolarHBondContact O-N 3.49Å; D623-L626 VanDerWaalsContact O-N 3.14Å
627	L	33.1	Very low	50.4	Low	91 Å²	91	113.5 Å²	113.5	48%	0.476	61%	0.605	S	S	.	*			trans	-101.1	105.5	169.1	-91.9	68.6	0	0	0	110.8	A629	L627-A629 PolarHBondContact O-N 3.33Å
628	Y	33.1	Very low	51.3	Low	172 Å²	172	115.2 Å²	115.2	68%	0.675	61%	0.611	S	S	*	*			trans	-71.5	71.3	158.8	-79.6	-83.2	0	0	0	109.7	S630	Y628-S630 VanDerWaalsContact C-N 3.33Å; Y628-S630 PolarHBondContact O-N 2.9Å
629	A	31	Very low	52.6	Low	83 Å²	83	114.1 Å²	114.1	69%	0.686	60%	0.601	S	S	*	*			trans	-72.2	84.3	176.7	0	0	0	0	0	110.6	L627 D631	L627-A629 PolarHBondContact O-N 3.33Å; A629-D631 PolarHBondContact O-N 3.48Å
630	S	34	Very low	54.1	Low	57 Å²	57	107.9 Å²	107.9	40%	0.399	57%	0.568	S	S	.	*			trans	-83.3	97.8	170.6	56	0	0	0	0	110.5	Y628 S632	Y628-S630 VanDerWaalsContact C-N 3.33Å; Y628-S630 PolarHBondContact O-N 2.9Å; S630-S632 PolarHBondContact O-N 3.31Å
631	D	36.4	Very low	55.8	Low	169 Å²	169	101.5 Å²	101.5	90%	0.904	55%	0.546	S	S	*	.	S	Bend	trans	48.4	10.9	153.2	-49	-32.1	0	0	0	119.6	A629	A629-D631 PolarHBondContact O-N 3.48Å
632	S	49	Very low	58	Low	66 Å²	66	104.8 Å²	104.8	46%	0.462	55%	0.547	S	S	.	.			trans	-92.8	109	171.7	175	0	0	0	0	108.9	Q564 S630 A634	Q564-S632 PolarHBondContact NE2-OG 3.06Å; S630-S632 PolarHBondContact O-N 3.31Å; S632-A634 PolarHBondContact O-N 2.88Å
633	E	56.1	Low	60.4	Low	186 Å²	186	96.5 Å²	96.5	87%	0.869	51%	0.509	S	S	*	.	P	Polyproline II helix	trans	-55.3	126.8	173.1	-66.7	-164.5	136.6	0	0	110.5
634	A	62.4	Low	62.9	Low	66 Å²	66	91.7 Å²	91.7	55%	0.545	48%	0.484	S	S	.	.	P	Polyproline II helix	trans	-71.9	131.1	178.8	0	0	0	0	0	110.1	V614 S632 S636	V614-A634 HydrophobicContact CG1-CB 3.71Å; S632-A634 PolarHBondContact O-N 2.88Å; A634-S636 PolarHBondContact O-N 2.79Å; A634-S636 VanDerWaalsContact O-N 3.12Å
635	L	71.2	Confident	65.3	Low	49 Å²	49	85.9 Å²	85.9	26%	0.257	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-51.4	119.2	-178.9	-104.3	167.2	0	0	0	111.9	Q564 H567 L637 V640	Q564-L635 HydrophobicContact CB-CD1 4.41Å; Q564-L635 HydrophobicContact CG-CD1 4.28Å; H567-L635 HydrophobicContact CB-CD1 3.57Å; H567-L635 WeakPolarHBondContact ND1-CD2 3.25Å; L635-L637 PolarHBondContact O-N 2.94Å; L635-V640 HydrophobicContact CB-CG2 4.3Å; L635-V640 HydrophobicContact CD2-CG2 4.39Å
636	S	80.5	Confident	68.1	Low	62 Å²	62	77.1 Å²	77.1	43%	0.434	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-60.9	123.7	179.7	177.2	0	0	0	0	110.6	A634 N638 V639 V640	A634-S636 PolarHBondContact O-N 2.79Å; A634-S636 VanDerWaalsContact O-N 3.12Å; S636-N638 PolarHBondContact O-N 3.14Å; S636-V639 WeakPolarHBondContact O-CB 3.48Å; S636-V639 PolarHBondContact O-N 3.14Å; S636-V640 PolarHBondContact O-N 3.45Å
637	L	84.5	Confident	70.9	Confident	26 Å²	26	71.2 Å²	71.2	14%	0.136	40%	0.399	C	S	.	.	H	α-helix	trans	-51.6	-32.2	178	-179.2	63.3	0	0	0	112.6	M608 A611 M612 K615 L635 A641	M608-L637 HydrophobicContact CE-CD1 3.76Å; M608-L637 HydrophobicContact CE-CG 4.3Å; M608-L637 HydrophobicContact SD-CD1 3.61Å; A611-L637 HydrophobicContact CB-CD1 3.7Å; M612-L637 HydrophobicContact CG-CD1 3.67Å; M612-L637 HydrophobicContact CG-CD2 4.05Å; K615-L637 HydrophobicContact CD-CB 4.29Å; K615-L637 HydrophobicContact CD-CD2 3.62Å; L635-L637 PolarHBondContact O-N 2.94Å; L637-A641 WeakPolarHBondContact O-CB 3.48Å; L637-A641 PolarHBondContact O-N 3.39Å
638	N	88.1	Confident	73.7	Confident	102 Å²	102	70 Å²	70	55%	0.545	39%	0.393	S	S	.	.	H	α-helix	trans	-68.7	-37.5	178.9	-64	8.5	0	0	0	112	S636 Q642	S636-N638 PolarHBondContact O-N 3.14Å; N638-Q642 VanDerWaalsContact O-CG 3.31Å; N638-Q642 WeakPolarHBondContact O-CG 3.08Å; N638-Q642 PolarHBondContact O-N 3.44Å
639	V	88.9	Confident	76.6	Confident	59 Å²	59	67 Å²	67	36%	0.358	38%	0.381	S	S	.	.	H	α-helix	trans	-68.5	-46.1	177.1	177.2	0	0	0	0	109.7	S636 A641 Q642 T643	S636-V639 WeakPolarHBondContact O-CB 3.48Å; S636-V639 PolarHBondContact O-N 3.14Å; V639-A641 VanDerWaalsContact C-N 3.33Å; V639-A641 PolarHBondContact O-N 3.43Å; V639-Q642 PolarHBondContact O-N 3.38Å; V639-T643 PolarHBondContact O-N 3.19Å; V639-T643 PolarHBondContact O-OG1 2.85Å; V639-T643 VanDerWaalsContact O-OG1 3.12Å
640	V	89	Confident	79.7	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.018	35%	0.353	C	S	.	.	H	α-helix	trans	-59.1	-45.3	175.9	-177.8	0	0	0	0	110.6	C607 M608 A611 L635 S636 Q642 T643 V644	C607-V640 HydrophobicContact CB-CG1 4.11Å; M608-V640 HydrophobicContact SD-CG1 4.23Å; A611-V640 HydrophobicContact CB-CB 4.29Å; A611-V640 HydrophobicContact CB-CG1 4.42Å; A611-V640 HydrophobicContact CB-CG2 4.02Å; L635-V640 HydrophobicContact CB-CG2 4.3Å; L635-V640 HydrophobicContact CD2-CG2 4.39Å; S636-V640 PolarHBondContact O-N 3.45Å; V640-Q642 PolarHBondContact O-N 3.03Å; V640-T643 WeakPolarHBondContact O-CB 3.25Å; V640-T643 PolarHBondContact O-N 2.81Å; V640-V644 HydrophobicContact CG1-CG2 4.43Å; V640-V644 WeakPolarHBondContact O-CG2 3.32Å; V640-V644 PolarHBondContact O-N 2.83Å
641	A	90.9	Very high	82.5	Confident	35 Å²	35	62.2 Å²	62.2	29%	0.289	34%	0.338	S	S	.	.	H	α-helix	trans	-57.8	-44.5	176.4	0	0	0	0	0	112.9	M608 L637 V639 T643 V644 E645	M608-A641 HydrophobicContact CE-CB 3.63Å; M608-A641 HydrophobicContact SD-CB 4.03Å; L637-A641 WeakPolarHBondContact O-CB 3.48Å; L637-A641 PolarHBondContact O-N 3.39Å; V639-A641 VanDerWaalsContact C-N 3.33Å; V639-A641 PolarHBondContact O-N 3.43Å; A641-T643 VanDerWaalsContact C-N 3.34Å; A641-T643 PolarHBondContact O-N 3.48Å; A641-V644 PolarHBondContact O-N 3.18Å; A641-E645 WeakPolarHBondContact O-CB 3.28Å; A641-E645 PolarHBondContact O-N 2.87Å
642	Q	93.4	Very high	85.1	Confident	124 Å²	124	57.4 Å²	57.4	58%	0.579	32%	0.317	S	S	*	.	H	α-helix	trans	-64.8	-35.5	177.3	-74.4	171.6	-11.2	0	0	112.6	N638 V639 V640 S646	N638-Q642 VanDerWaalsContact O-CG 3.31Å; N638-Q642 WeakPolarHBondContact O-CG 3.08Å; N638-Q642 PolarHBondContact O-N 3.44Å; V639-Q642 PolarHBondContact O-N 3.38Å; V640-Q642 PolarHBondContact O-N 3.03Å; Q642-S646 WeakPolarHBondContact O-CB 3.44Å; Q642-S646 PolarHBondContact O-N 2.99Å; Q642-S646 PolarHBondContact O-OG 3.02Å
643	T	92	Very high	87.2	Confident	9 Å²	9	60 Å²	60	6%	0.055	32%	0.32	C	S	.	.	H	α-helix	trans	-65	-49.7	172.2	-52.4	0	0	0	0	111.1	H567 L570 Q571 L575 V639 V640 A641 E645 S646 V647	H567-T643 PolarHBondContact NE2-OG1 2.84Å; L570-T643 HydrophobicContact CB-CG2 4.18Å; Q571-T643 HydrophobicContact CB-CG2 3.91Å; L575-T643 HydrophobicContact CD2-CG2 4.38Å; V639-T643 PolarHBondContact O-N 3.19Å; V639-T643 PolarHBondContact O-OG1 2.85Å; V639-T643 VanDerWaalsContact O-OG1 3.12Å; V640-T643 WeakPolarHBondContact O-CB 3.25Å; V640-T643 PolarHBondContact O-N 2.81Å; A641-T643 VanDerWaalsContact C-N 3.34Å; A641-T643 PolarHBondContact O-N 3.48Å; T643-E645 PolarHBondContact O-N 2.95Å; T643-S646 PolarHBondContact O-N 2.85Å; T643-V647 WeakPolarHBondContact O-CG2 3.32Å; T643-V647 PolarHBondContact O-N 3.17Å
644	V	91.6	Very high	89	Confident	19 Å²	19	51.4 Å²	51.4	12%	0.115	28%	0.28	C	S	.	.	H	α-helix	trans	-60	-47.7	179.8	174.2	0	0	0	0	111.7	A604 M608 V640 A641 S646 V647 N648	A604-V644 HydrophobicContact CB-CB 4.47Å; A604-V644 HydrophobicContact CB-CG1 4.09Å; A604-V644 HydrophobicContact CB-CG2 3.95Å; A604-V644 WeakPolarHBondContact O-CG2 3.16Å; M608-V644 HydrophobicContact CB-CG2 4.48Å; V640-V644 HydrophobicContact CG1-CG2 4.43Å; V640-V644 WeakPolarHBondContact O-CG2 3.32Å; V640-V644 PolarHBondContact O-N 2.83Å; A641-V644 PolarHBondContact O-N 3.18Å; V644-S646 VanDerWaalsContact C-N 3.28Å; V644-S646 PolarHBondContact O-N 2.91Å; V644-V647 PolarHBondContact O-N 2.91Å; V644-N648 PolarHBondContact O-N 3.33Å; V644-N648 VanDerWaalsContact O-N 3.1Å
645	E	94	Very high	90.3	Very high	103 Å²	103	52.2 Å²	52.2	48%	0.481	27%	0.273	S	S	.	.	H	α-helix	trans	-61.5	-38.3	177.2	-165.8	-153.7	-172.6	0	0	111.6	A641 T643 N648 R649	A641-E645 WeakPolarHBondContact O-CB 3.28Å; A641-E645 PolarHBondContact O-N 2.87Å; T643-E645 PolarHBondContact O-N 2.95Å; E645-N648 PolarHBondContact O-N 3.19Å; E645-R649 WeakPolarHBondContact O-CG 3.46Å; E645-R649 PolarHBondContact O-N 3.27Å; E645-R649 IonicContact OE1-CZ 3.26Å; E645-R649 IonicContact OE1-NH1 3.13Å; E645-R649 PolarHBondContact OE1-NH1 3.27Å; E645-R649 IonicContact OE2-CZ 3.04Å; E645-R649 IonicContact OE2-NH1 2.68Å; E645-R649 PolarHBondContact OE2-NH1 2.73Å; E645-R649 IonicContact OE2-NH2 2.96Å; E645-R649 PolarHBondContact OE2-NH2 3.35Å
646	S	95.5	Very high	91.1	Very high	14 Å²	14	56.5 Å²	56.5	10%	0.098	29%	0.289	C	S	.	.	H	α-helix	trans	-69.5	-41.5	177.8	-62.8	0	0	0	0	112.8	Q642 T643 V644 N648 R649 E650	Q642-S646 WeakPolarHBondContact O-CB 3.44Å; Q642-S646 PolarHBondContact O-N 2.99Å; Q642-S646 PolarHBondContact O-OG 3.02Å; T643-S646 PolarHBondContact O-N 2.85Å; V644-S646 VanDerWaalsContact C-N 3.28Å; V644-S646 PolarHBondContact O-N 2.91Å; S646-N648 VanDerWaalsContact C-N 3.33Å; S646-N648 PolarHBondContact O-N 3.12Å; S646-R649 PolarHBondContact O-N 2.82Å; S646-R649 PolarHBondContact OG-NH2 2.88Å; S646-E650 WeakPolarHBondContact O-CG 3.44Å; S646-E650 PolarHBondContact O-N 3.38Å
647	V	93.4	Very high	91.5	Very high	0 Å²	0	56.1 Å²	56.1	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-56.4	-48.8	172.8	167.7	0	0	0	0	110.3	L575 I600 T643 V644 R649 E650 L651	L575-V647 HydrophobicContact CB-CG2 4.01Å; L575-V647 HydrophobicContact CD1-CG2 4.4Å; I600-V647 HydrophobicContact CG2-CG1 3.66Å; T643-V647 WeakPolarHBondContact O-CG2 3.32Å; T643-V647 PolarHBondContact O-N 3.17Å; V644-V647 PolarHBondContact O-N 2.91Å; V647-R649 VanDerWaalsContact C-N 3.33Å; V647-R649 PolarHBondContact O-N 3.49Å; V647-E650 PolarHBondContact O-N 3.18Å; V647-L651 HydrophobicContact CG1-CD1 4.01Å; V647-L651 HydrophobicContact CG1-CG 4.42Å; V647-L651 WeakPolarHBondContact O-CG 3.33Å; V647-L651 PolarHBondContact O-N 2.74Å
648	N	92.3	Very high	91.7	Very high	66 Å²	66	54.9 Å²	54.9	35%	0.353	27%	0.272	S	S	.	.	H	α-helix	trans	-60.5	-40.8	177.5	-68.1	-15	0	0	0	112.3	V644 E645 S646 L651 C652	V644-N648 PolarHBondContact O-N 3.33Å; V644-N648 VanDerWaalsContact O-N 3.1Å; E645-N648 PolarHBondContact O-N 3.19Å; S646-N648 VanDerWaalsContact C-N 3.33Å; S646-N648 PolarHBondContact O-N 3.12Å; N648-L651 PolarHBondContact O-N 3.13Å; N648-C652 PolarHBondContact O-N 2.87Å; N648-C652 VanDerWaalsContact O-N 3.14Å; N648-C652 PolarHBondContact O-SG 2.82Å; N648-C652 VanDerWaalsContact O-SG 3.42Å
649	R	95.2	Very high	91.5	Very high	110 Å²	110	52.6 Å²	52.6	42%	0.415	27%	0.267	S	S	.	.	H	α-helix	trans	-62.9	-41.1	175.2	-78.1	-174	-68.9	-120.9	-10.2	113.4	E645 S646 V647 K653	E645-R649 WeakPolarHBondContact O-CG 3.46Å; E645-R649 PolarHBondContact O-N 3.27Å; E645-R649 IonicContact OE1-CZ 3.26Å; E645-R649 IonicContact OE1-NH1 3.13Å; E645-R649 PolarHBondContact OE1-NH1 3.27Å; E645-R649 IonicContact OE2-CZ 3.04Å; E645-R649 IonicContact OE2-NH1 2.68Å; E645-R649 PolarHBondContact OE2-NH1 2.73Å; E645-R649 IonicContact OE2-NH2 2.96Å; E645-R649 PolarHBondContact OE2-NH2 3.35Å; S646-R649 PolarHBondContact O-N 2.82Å; S646-R649 PolarHBondContact OG-NH2 2.88Å; V647-R649 VanDerWaalsContact C-N 3.33Å; V647-R649 PolarHBondContact O-N 3.49Å; R649-K653 PolarHBondContact O-N 2.85Å
650	E	94.9	Very high	91.4	Very high	21 Å²	21	58.1 Å²	58.1	10%	0.098	29%	0.286	C	S	.	.	H	α-helix	trans	-71.7	-36.4	177.2	-58	-47.9	147.5	0	0	111.8	L575 L578 R579 S646 V647 C652 K653 L654	L575-E650 HydrophobicContact CD1-CB 4.34Å; L575-E650 HydrophobicContact CD1-CG 3.42Å; L575-E650 VanDerWaalsContact CD1-CG 3.42Å; L578-E650 HydrophobicContact CB-CB 4.36Å; L578-E650 HydrophobicContact CD1-CB 3.78Å; R579-E650 HydrophobicContact CG-CG 4.32Å; R579-E650 IonicContact CZ-OE1 2.83Å; R579-E650 IonicContact NE-OE1 3.76Å; R579-E650 PolarHBondContact NE-OE1 2.91Å; R579-E650 IonicContact NH2-OE1 3.5Å; R579-E650 PolarHBondContact NH2-OE1 3.29Å; S646-E650 WeakPolarHBondContact O-CG 3.44Å; S646-E650 PolarHBondContact O-N 3.38Å; V647-E650 PolarHBondContact O-N 3.18Å; E650-C652 VanDerWaalsContact C-N 3.33Å; E650-C652 PolarHBondContact O-N 2.86Å; E650-K653 WeakPolarHBondContact O-CA 3.34Å; E650-K653 WeakPolarHBondContact O-CB 3.42Å; E650-K653 PolarHBondContact O-N 3.28Å; E650-K653 IonicContact OE1-NZ 3.45Å; E650-K653 PolarHBondContact OE1-NZ 2.91Å; E650-K653 VanDerWaalsContact OE2-CD 3.29Å; E650-K653 WeakPolarHBondContact OE2-CD 3.49Å; E650-K653 WeakPolarHBondContact OE2-CE 3.09Å; E650-K653 IonicContact OE2-NZ 3.92Å; E650-K653 PolarHBondContact OE2-NZ 2.64Å; E650-L654 PolarHBondContact O-N 2.61Å
651	L	93.1	Very high	91.1	Very high	18 Å²	18	63.3 Å²	63.3	9%	0.094	31%	0.306	C	S	.	.	H	α-helix	trans	-57.6	-42.8	172.9	-72.6	173.4	0	0	0	112.1	V593 R597 V601 V647 N648 K653 L654 E655	V593-L651 HydrophobicContact CG1-CD2 3.59Å; R597-L651 HydrophobicContact CB-CD2 3.96Å; V601-L651 HydrophobicContact CG2-CD1 3.87Å; V647-L651 HydrophobicContact CG1-CD1 4.01Å; V647-L651 HydrophobicContact CG1-CG 4.42Å; V647-L651 WeakPolarHBondContact O-CG 3.33Å; V647-L651 PolarHBondContact O-N 2.74Å; N648-L651 PolarHBondContact O-N 3.13Å; L651-K653 PolarHBondContact O-N 2.83Å; L651-L654 HydrophobicContact CD2-CD2 4.32Å; L651-L654 WeakPolarHBondContact O-CB 3.34Å; L651-L654 PolarHBondContact O-N 2.98Å; L651-E655 PolarHBondContact O-N 3.44Å
652	C	91.9	Very high	90.4	Very high	67 Å²	67	69.9 Å²	69.9	45%	0.453	33%	0.328	S	S	.	.	H	α-helix	trans	-69.5	-13	174.4	-65.1	0	0	0	0	114.6	N648 E650 K656	N648-C652 PolarHBondContact O-N 2.87Å; N648-C652 VanDerWaalsContact O-N 3.14Å; N648-C652 PolarHBondContact O-SG 2.82Å; N648-C652 VanDerWaalsContact O-SG 3.42Å; E650-C652 VanDerWaalsContact C-N 3.33Å; E650-C652 PolarHBondContact O-N 2.86Å; C652-K656 WeakPolarHBondContact O-CD 3.37Å; C652-K656 WeakPolarHBondContact O-CE 3.35Å
653	K	92.9	Very high	89.7	Confident	121 Å²	121	66.6 Å²	66.6	53%	0.526	31%	0.314	S	S	.	.	H	α-helix	trans	-86.8	-40.8	167.1	-61.9	-179.3	-151.8	162.9	0	110.7	R649 E650 L651 K656 W657	R649-K653 PolarHBondContact O-N 2.85Å; E650-K653 WeakPolarHBondContact O-CA 3.34Å; E650-K653 WeakPolarHBondContact O-CB 3.42Å; E650-K653 PolarHBondContact O-N 3.28Å; E650-K653 IonicContact OE1-NZ 3.45Å; E650-K653 PolarHBondContact OE1-NZ 2.91Å; E650-K653 VanDerWaalsContact OE2-CD 3.29Å; E650-K653 WeakPolarHBondContact OE2-CD 3.49Å; E650-K653 WeakPolarHBondContact OE2-CE 3.09Å; E650-K653 IonicContact OE2-NZ 3.92Å; E650-K653 PolarHBondContact OE2-NZ 2.64Å; L651-K653 PolarHBondContact O-N 2.83Å; K653-K656 WeakPolarHBondContact O-CB 3.29Å; K653-K656 PolarHBondContact O-N 3.43Å; K653-K656 VanDerWaalsContact O-N 3.16Å; K653-W657 PolarHBondContact O-N 3.06Å; K653-W657 VanDerWaalsContact O-N 3.17Å
654	L	92.6	Very high	88.9	Confident	6 Å²	6	70.6 Å²	70.6	3%	0.031	34%	0.34	C	S	.	.	H	α-helix	trans	-60.9	-43.7	178.8	177.8	59	0	0	0	111.8	L578 Y590 V593 W594 E650 L651 K656 W657 I658	L578-L654 HydrophobicContact CD2-CD2 4.05Å; Y590-L654 HydrophobicContact CD2-CD1 3.81Å; Y590-L654 HydrophobicContact CG-CD1 3.74Å; V593-L654 HydrophobicContact CB-CD2 4.08Å; V593-L654 HydrophobicContact CG1-CD2 3.81Å; W594-L654 HydrophobicContact CB-CD2 3.97Å; W594-L654 HydrophobicContact CB-CG 4.27Å; W594-L654 HydrophobicContact CE3-CG 4.3Å; E650-L654 PolarHBondContact O-N 2.61Å; L651-L654 HydrophobicContact CD2-CD2 4.32Å; L651-L654 WeakPolarHBondContact O-CB 3.34Å; L651-L654 PolarHBondContact O-N 2.98Å; L654-K656 VanDerWaalsContact C-N 3.27Å; L654-K656 PolarHBondContact O-N 3.5Å; L654-W657 HydrophobicContact CD1-CE3 4.35Å; L654-W657 WeakPolarHBondContact O-CA 3.3Å; L654-W657 WeakPolarHBondContact O-CB 3.01Å; L654-W657 PolarHBondContact O-N 3.34Å; L654-I658 HydrophobicContact CD1-CD1 4.46Å; L654-I658 HydrophobicContact CD1-CG1 4.18Å; L654-I658 HydrophobicContact CG-CG1 4.36Å; L654-I658 WeakPolarHBondContact O-CG1 3.16Å; L654-I658 PolarHBondContact O-N 2.83Å
655	E	89.9	Confident	88.2	Confident	83 Å²	83	72 Å²	72	39%	0.388	35%	0.347	S	S	.	.	H	α-helix	trans	-49.6	-47.5	171.6	-175.3	-173.1	-174.4	0	0	112	W594 L651 W657 I658 A659	W594-E655 HydrophobicContact CH2-CB 4.2Å; W594-E655 HydrophobicContact CH2-CG 3.99Å; W594-E655 HydrophobicContact CZ3-CB 3.75Å; W594-E655 HydrophobicContact CZ3-CG 4.07Å; L651-E655 PolarHBondContact O-N 3.44Å; E655-W657 VanDerWaalsContact C-N 3.25Å; E655-W657 PolarHBondContact O-N 2.82Å; E655-I658 PolarHBondContact O-N 2.96Å; E655-A659 WeakPolarHBondContact O-CB 3.4Å; E655-A659 PolarHBondContact O-N 2.93Å
656	K	89.3	Confident	87.4	Confident	139 Å²	139	67 Å²	67	60%	0.604	32%	0.324	S	S	*	.	H	α-helix	trans	-71.1	-17.1	179.3	-61.4	172.6	-173.4	173	0	113.5	C652 K653 L654 K660	C652-K656 WeakPolarHBondContact O-CD 3.37Å; C652-K656 WeakPolarHBondContact O-CE 3.35Å; K653-K656 WeakPolarHBondContact O-CB 3.29Å; K653-K656 PolarHBondContact O-N 3.43Å; K653-K656 VanDerWaalsContact O-N 3.16Å; L654-K656 VanDerWaalsContact C-N 3.27Å; L654-K656 PolarHBondContact O-N 3.5Å; K656-K660 WeakPolarHBondContact O-CD 3.39Å; K656-K660 VanDerWaalsContact O-CG 3.3Å; K656-K660 WeakPolarHBondContact O-CG 3.21Å
657	W	88.9	Confident	86.2	Confident	53 Å²	53	68.2 Å²	68.2	20%	0.201	33%	0.332	C	S	.	.	H	α-helix	trans	-84.5	-44.4	171.4	-177.7	103.4	0	0	0	110.8	Y590 K653 L654 E655 K660 R661	Y590-W657 AromaticContact CD2-CD2 3.6Å; Y590-W657 HydrophobicContact CD2-CD2 3.6Å; Y590-W657 AromaticContact CD2-CE2 3.45Å; Y590-W657 VanDerWaalsContact CD2-CE2 3.45Å; Y590-W657 AromaticContact CD2-CE3 3.89Å; Y590-W657 HydrophobicContact CD2-CE3 3.89Å; Y590-W657 HydrophobicContact CD2-CG 4.06Å; Y590-W657 AromaticContact CD2-CH2 3.88Å; Y590-W657 HydrophobicContact CD2-CH2 3.88Å; Y590-W657 AromaticContact CD2-CZ2 3.59Å; Y590-W657 HydrophobicContact CD2-CZ2 3.59Å; Y590-W657 HydrophobicContact CD2-CZ3 4.03Å; Y590-W657 AromaticContact CD2-NE1 3.86Å; Y590-W657 AromaticContact CE2-CD1 3.91Å; Y590-W657 HydrophobicContact CE2-CD2 4.11Å; Y590-W657 AromaticContact CE2-CE2 3.8Å; Y590-W657 HydrophobicContact CE2-CG 4.15Å; Y590-W657 HydrophobicContact CE2-CZ2 4.21Å; Y590-W657 AromaticContact CE2-NE1 3.7Å; Y590-W657 HydrophobicContact CG-CH2 4.39Å; Y590-W657 HydrophobicContact CG-CZ2 4.44Å; K653-W657 PolarHBondContact O-N 3.06Å; K653-W657 VanDerWaalsContact O-N 3.17Å; L654-W657 HydrophobicContact CD1-CE3 4.35Å; L654-W657 WeakPolarHBondContact O-CA 3.3Å; L654-W657 WeakPolarHBondContact O-CB 3.01Å; L654-W657 PolarHBondContact O-N 3.34Å; E655-W657 VanDerWaalsContact C-N 3.25Å; E655-W657 PolarHBondContact O-N 2.82Å; W657-K660 PolarHBondContact O-N 3.18Å; W657-R661 VanDerWaalsContact CH2-NE 3.28Å; W657-R661 VanDerWaalsContact CZ2-CZ 3.44Å; W657-R661 PolarHBondContact O-N 2.75Å
658	I	87.7	Confident	84.7	Confident	0 Å²	0	75.8 Å²	75.8	0%	0	37%	0.365	C	S	.	.	H	α-helix	trans	-60.5	-49.1	176.6	-62.6	-76.4	0	0	0	110.3	W594 L654 E655 K660 R661 L666 I670	W594-I658 HydrophobicContact CB-CD1 3.88Å; W594-I658 HydrophobicContact CB-CG1 4.08Å; W594-I658 HydrophobicContact CD2-CB 4.45Å; W594-I658 HydrophobicContact CD2-CD1 4.43Å; W594-I658 HydrophobicContact CD2-CG1 3.82Å; W594-I658 HydrophobicContact CD2-CG2 4.48Å; W594-I658 HydrophobicContact CE3-CG1 4.26Å; W594-I658 HydrophobicContact CG-CD1 3.76Å; W594-I658 HydrophobicContact CG-CG1 3.68Å; L654-I658 HydrophobicContact CD1-CD1 4.46Å; L654-I658 HydrophobicContact CD1-CG1 4.18Å; L654-I658 HydrophobicContact CG-CG1 4.36Å; L654-I658 WeakPolarHBondContact O-CG1 3.16Å; L654-I658 PolarHBondContact O-N 2.83Å; E655-I658 PolarHBondContact O-N 2.96Å; I658-K660 PolarHBondContact O-N 2.8Å; I658-K660 VanDerWaalsContact O-N 3.14Å; I658-R661 PolarHBondContact O-N 2.78Å; I658-L666 HydrophobicContact CD1-CD1 3.97Å; I658-L666 HydrophobicContact CG2-CB 3.77Å; I658-I670 HydrophobicContact CG2-CD1 4.25Å
659	A	84.8	Confident	83.2	Confident	55 Å²	55	74 Å²	74	46%	0.455	36%	0.357	S	S	.	.	H	α-helix	trans	-57.9	-29.6	179	0	0	0	0	0	113.6	E655 I670	E655-A659 WeakPolarHBondContact O-CB 3.4Å; E655-A659 PolarHBondContact O-N 2.93Å; A659-I670 HydrophobicContact CB-CD1 4.46Å
660	K	86.6	Confident	81.2	Confident	175 Å²	175	71.8 Å²	71.8	76%	0.761	35%	0.352	S	S	*	.	H	α-helix	trans	-73.4	-29.1	175.9	-74.6	174	-176.7	-177.4	0	113.3	K656 W657 I658 K662	K656-K660 WeakPolarHBondContact O-CD 3.39Å; K656-K660 VanDerWaalsContact O-CG 3.3Å; K656-K660 WeakPolarHBondContact O-CG 3.21Å; W657-K660 PolarHBondContact O-N 3.18Å; I658-K660 PolarHBondContact O-N 2.8Å; I658-K660 VanDerWaalsContact O-N 3.14Å; K660-K662 VanDerWaalsContact C-N 3.33Å
661	R	83.5	Confident	78.8	Confident	111 Å²	111	75.5 Å²	75.5	42%	0.419	39%	0.386	S	S	.	.	H	α-helix	trans	-73.8	-21.4	-179.4	-76.7	-165.1	168.8	-157.8	1.6	113.7	D587 W657 I658 D663	D587-R661 VanDerWaalsContact CG-NH2 3.29Å; D587-R661 IonicContact OD1-CZ 2.64Å; D587-R661 IonicContact OD1-NH1 2.75Å; D587-R661 IonicContact OD1-NH2 2.7Å; D587-R661 PolarHBondContact OD1-NH2 2.86Å; D587-R661 IonicContact OD2-CZ 2.75Å; D587-R661 IonicContact OD2-NH1 3.15Å; D587-R661 PolarHBondContact OD2-NH1 3.07Å; D587-R661 IonicContact OD2-NH2 2.9Å; D587-R661 PolarHBondContact OD2-NH2 3.2Å; D587-R661 VanDerWaalsContact OD2-NH2 3.17Å; W657-R661 VanDerWaalsContact CH2-NE 3.28Å; W657-R661 VanDerWaalsContact CZ2-CZ 3.44Å; W657-R661 PolarHBondContact O-N 2.75Å; I658-R661 PolarHBondContact O-N 2.78Å; R661-D663 PolarHBondContact O-N 3.07Å; R661-D663 VanDerWaalsContact O-N 3.11Å
662	K	76.2	Confident	76.1	Confident	174 Å²	174	80.5 Å²	80.5	76%	0.757	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.7	24.2	-175.6	-57.3	-177.9	177.4	-178.8	0	114.1	K660 P664	K660-K662 VanDerWaalsContact C-N 3.33Å; K662-P664 WeakPolarHBondContact O-CD 3.38Å
663	D	78.3	Confident	75.3	Confident	54 Å²	54	81.2 Å²	81.2	29%	0.289	42%	0.421	S	S	.	.			trans	-64	120.4	177	-179.7	-59.2	0	0	0	109	R661 L665 L666 S667	R661-D663 PolarHBondContact O-N 3.07Å; R661-D663 VanDerWaalsContact O-N 3.11Å; D663-L665 PolarHBondContact O-N 3.38Å; D663-L665 WeakPolarHBondContact OD1-CA 3.48Å; D663-L665 VanDerWaalsContact OD1-CB 3.26Å; D663-L665 WeakPolarHBondContact OD1-CB 3.5Å; D663-L665 PolarHBondContact OD1-N 3.16Å; D663-L666 HydrophobicContact CB-CB 4.1Å; D663-L666 HydrophobicContact CB-CD1 3.94Å; D663-L666 HydrophobicContact CB-CG 4.11Å; D663-L666 PolarHBondContact O-N 3.46Å; D663-L666 PolarHBondContact OD1-N 3.17Å; D663-S667 WeakPolarHBondContact O-CB 3.39Å; D663-S667 PolarHBondContact O-N 3.32Å; D663-S667 PolarHBondContact O-OG 3.16Å
664	P	73.7	Confident	74.4	Confident	94 Å²	94	79.1 Å²	79.1	61%	0.61	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.4	-12.9	-173.2	29.8	-35.8	0	0	0	113.8	K662 K668	K662-P664 WeakPolarHBondContact O-CD 3.38Å; P664-K668 WeakPolarHBondContact O-CD 3.37Å; P664-K668 VanDerWaalsContact O-CG 3.23Å; P664-K668 WeakPolarHBondContact O-CG 3.2Å
665	L	77.2	Confident	73.4	Confident	47 Å²	47	83.1 Å²	83.1	25%	0.246	44%	0.437	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-49.7	171.5	-127.9	85	0	0	0	110.4	V364 R367 A368 D663 S667 K668	V364-L665 HydrophobicContact CG1-CD2 4.11Å; V364-L665 HydrophobicContact CG1-CG 4.27Å; V364-L665 WeakPolarHBondContact O-CD2 3.33Å; R367-L665 HydrophobicContact CB-CD2 3.61Å; A368-L665 HydrophobicContact CB-CD2 4.09Å; D663-L665 PolarHBondContact O-N 3.38Å; D663-L665 WeakPolarHBondContact OD1-CA 3.48Å; D663-L665 VanDerWaalsContact OD1-CB 3.26Å; D663-L665 WeakPolarHBondContact OD1-CB 3.5Å; D663-L665 PolarHBondContact OD1-N 3.16Å; L665-S667 VanDerWaalsContact C-N 3.34Å; L665-K668 PolarHBondContact O-N 3.21Å
666	L	78.4	Confident	72.4	Confident	0 Å²	0	83.1 Å²	83.1	0%	0	44%	0.44	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-25.9	-178.8	-55.1	173	0	0	0	112.6	A368 Q591 W594 L595 I658 D663 T669	A368-L666 HydrophobicContact CB-CD2 4.11Å; Q591-L666 HydrophobicContact CG-CD1 3.83Å; Q591-L666 HydrophobicContact CG-CD2 4.3Å; W594-L666 PolarHBondContact NE1-O 3.23Å; L595-L666 HydrophobicContact CD1-CD2 4.03Å; L595-L666 HydrophobicContact CD2-CD2 4.08Å; L595-L666 HydrophobicContact CG-CD2 4.13Å; I658-L666 HydrophobicContact CD1-CD1 3.97Å; I658-L666 HydrophobicContact CG2-CB 3.77Å; D663-L666 HydrophobicContact CB-CB 4.1Å; D663-L666 HydrophobicContact CB-CD1 3.94Å; D663-L666 HydrophobicContact CB-CG 4.11Å; D663-L666 PolarHBondContact O-N 3.46Å; D663-L666 PolarHBondContact OD1-N 3.17Å; L666-T669 PolarHBondContact O-OG1 3.22Å
667	S	69.5	Low	71.4	Confident	39 Å²	39	79.6 Å²	79.6	27%	0.273	43%	0.429	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.9	-28.3	176.9	-57.6	0	0	0	0	112.4	D663 L665 T669 I670	D663-S667 WeakPolarHBondContact O-CB 3.39Å; D663-S667 PolarHBondContact O-N 3.32Å; D663-S667 PolarHBondContact O-OG 3.16Å; L665-S667 VanDerWaalsContact C-N 3.34Å; S667-T669 PolarHBondContact O-N 3.13Å; S667-I670 WeakPolarHBondContact O-CB 3.36Å; S667-I670 PolarHBondContact O-N 3.21Å
668	K	62.8	Low	70.2	Confident	159 Å²	159	81.4 Å²	81.4	69%	0.691	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.6	-26.6	174.5	-84.4	178.9	-179	-172.1	0	112.7	P664 L665 I670	P664-K668 WeakPolarHBondContact O-CD 3.37Å; P664-K668 VanDerWaalsContact O-CG 3.23Å; P664-K668 WeakPolarHBondContact O-CG 3.2Å; L665-K668 PolarHBondContact O-N 3.21Å; K668-I670 VanDerWaalsContact C-N 3.34Å
669	T	59.8	Low	69	Low	29 Å²	29	87.2 Å²	87.2	18%	0.178	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.9	5.7	171.7	54.5	0	0	0	0	114.1	V364 W594 L595 R597 L666 S667	V364-T669 HydrophobicContact CG1-CG2 4.24Å; W594-T669 PolarHBondContact NE1-OG1 3.35Å; L595-T669 HydrophobicContact CD2-CG2 4.49Å; R597-T669 VanDerWaalsContact CZ-O 3.26Å; R597-T669 PolarHBondContact NH1-O 3.31Å; R597-T669 PolarHBondContact NH2-O 3.49Å; L666-T669 PolarHBondContact O-OG1 3.22Å; S667-T669 PolarHBondContact O-N 3.13Å
670	I	53.7	Low	67.8	Low	63 Å²	63	89.7 Å²	89.7	32%	0.323	48%	0.478	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-28.9	164.7	-56.9	169.3	0	0	0	110.4	W594 I658 A659 S667 K668 S672	W594-I670 HydrophobicContact CH2-CG1 4.29Å; W594-I670 HydrophobicContact CZ2-CB 4.43Å; W594-I670 HydrophobicContact CZ2-CG1 3.57Å; I658-I670 HydrophobicContact CG2-CD1 4.25Å; A659-I670 HydrophobicContact CB-CD1 4.46Å; S667-I670 WeakPolarHBondContact O-CB 3.36Å; S667-I670 PolarHBondContact O-N 3.21Å; K668-I670 VanDerWaalsContact C-N 3.34Å; I670-S672 PolarHBondContact O-N 2.95Å
671	A	44.1	Very low	66.2	Low	98 Å²	98	82.6 Å²	82.6	81%	0.81	46%	0.455	S	S	*	.			trans	-82.8	11	-176.5	0	0	0	0	0	114.3
672	S	37.2	Very low	64.6	Low	123 Å²	123	80 Å²	80	86%	0.86	46%	0.458	S	S	*	.			trans	-137.4	0	-176.8	63.4	0	0	0	0	110.5	R597 I670	R597-S672 PolarHBondContact NH2-OXT 2.82Å; I670-S672 PolarHBondContact O-N 2.95Å

Retrieved 672 of 672 residues in 529.2 ms (Link to these results)

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