A0A096NRF8_PAPAN Loading...

Spire type actin nucleation factor 2

AlphaFold DB , UniProt , Accession A0A096NRF8, Species PAPAN (Papio anubis, Olive baboon), Gene SPIRE2, Length 714 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	36.5	Very low	26.3	Very low	251 Å²	251	132.6 Å²	132.6	100%	1.236	88%	0.884	S	S	*	*				0	114.6	0	-74.5	175.6	169.8	0	0	108.7
2	A	25.5	Very low	26.6	Very low	106 Å²	106	129.3 Å²	129.3	88%	0.876	88%	0.875	S	S	*	*			trans	-156.4	147.6	163.5	0	0	0	0	0	107.6
3	R	25.8	Very low	27	Very low	251 Å²	251	125.9 Å²	125.9	95%	0.947	88%	0.875	S	S	*	*			trans	-77.9	149.9	-163.2	-78.5	171.1	159.2	155.2	-9.4	113.9
4	A	26.2	Very low	27.5	Very low	106 Å²	106	122.9 Å²	122.9	88%	0.876	86%	0.861	S	S	*	*			trans	-75.4	143.8	161.8	0	0	0	0	0	110.8
5	G	23.4	Very low	27.9	Very low	77 Å²	77	120.1 Å²	120.1	79%	0.794	86%	0.86	S	S	*	*			trans	-124.4	123.8	165.8	0	0	0	0	0	108.5
6	S	24.3	Very low	28.3	Very low	122 Å²	122	127.1 Å²	127.1	85%	0.853	86%	0.861	S	S	*	*			trans	-97.7	127.4	179.9	-174.7	0	0	0	0	109.8
7	C	25.6	Very low	29.1	Very low	134 Å²	134	126.1 Å²	126.1	91%	0.905	85%	0.852	S	S	*	*			trans	-127.7	94.3	168.1	-70.7	0	0	0	0	108.6
8	G	23.7	Very low	30.3	Very low	72 Å²	72	124.4 Å²	124.4	74%	0.742	83%	0.83	S	S	*	*			trans	-82.8	127.6	162.7	0	0	0	0	0	109.1
9	G	23.5	Very low	32.1	Very low	76 Å²	76	120.6 Å²	120.6	78%	0.784	80%	0.804	S	S	*	*			trans	-108.6	103.7	169.8	0	0	0	0	0	109.4	A11	G9-A11 PolarHBondContact O-N 3.44Å
10	D	25.3	Very low	34.4	Very low	160 Å²	160	125.5 Å²	125.5	86%	0.856	81%	0.805	S	S	*	*			trans	-78	100.4	179.6	-75.4	-47.1	0	0	0	111.4	A12	D10-A12 VanDerWaalsContact C-N 3.28Å; D10-A12 PolarHBondContact O-N 3.44Å; D10-A12 VanDerWaalsContact O-N 3.11Å
11	A	29.3	Very low	37	Very low	104 Å²	104	122.6 Å²	122.6	86%	0.86	78%	0.781	S	S	*	*			trans	-81.7	73.4	166.6	0	0	0	0	0	110.2	G9 G13	G9-A11 PolarHBondContact O-N 3.44Å; A11-G13 VanDerWaalsContact C-N 3.26Å; A11-G13 PolarHBondContact O-N 2.94Å
12	A	29.6	Very low	39.7	Very low	93 Å²	93	110.7 Å²	110.7	77%	0.769	72%	0.722	S	S	*	*			trans	-78.8	65.1	-177.8	0	0	0	0	0	113.2	D10 A14	D10-A12 VanDerWaalsContact C-N 3.28Å; D10-A12 PolarHBondContact O-N 3.44Å; D10-A12 VanDerWaalsContact O-N 3.11Å; A12-A14 PolarHBondContact O-N 3.21Å; A12-A14 VanDerWaalsContact O-N 3.07Å
13	G	32.6	Very low	43	Very low	85 Å²	85	105.8 Å²	105.8	88%	0.876	68%	0.682	S	S	*	*			trans	-79.7	59.5	167.5	0	0	0	0	0	112.2	A11	A11-G13 VanDerWaalsContact C-N 3.26Å; A11-G13 PolarHBondContact O-N 2.94Å
14	A	33.5	Very low	46.3	Very low	83 Å²	83	93.9 Å²	93.9	69%	0.686	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-102.5	121.1	178.8	0	0	0	0	0	110.5	A12 R16	A12-A14 PolarHBondContact O-N 3.21Å; A12-A14 VanDerWaalsContact O-N 3.07Å; A14-R16 PolarHBondContact O-N 3.45Å; A14-R16 VanDerWaalsContact O-N 3.16Å
15	G	34.3	Very low	49.5	Very low	81 Å²	81	91.7 Å²	91.7	84%	0.835	61%	0.609	S	S	*	*	P	Polyproline II helix	trans	-57.2	119.9	172.2	0	0	0	0	0	110
16	R	33.7	Very low	52.8	Low	232 Å²	232	90.7 Å²	90.7	88%	0.875	58%	0.583	S	S	*	*	P	Polyproline II helix	trans	-60.5	138.3	174.1	-79.5	-177.3	168.6	-169.2	-4.2	108.7	A14 E18	A14-R16 PolarHBondContact O-N 3.45Å; A14-R16 VanDerWaalsContact O-N 3.16Å; R16-E18 PolarHBondContact O-N 3.2Å
17	P	41.2	Very low	56.1	Low	111 Å²	111	85 Å²	85	72%	0.721	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-58.4	140.3	163.3	27.3	-32.9	0	0	0	108.7
18	E	51.4	Low	59.2	Low	95 Å²	95	78.7 Å²	78.7	44%	0.444	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-50.9	132.2	175.5	-73.3	-62.6	156.6	0	0	110	R16 W20	R16-E18 PolarHBondContact O-N 3.2Å; E18-W20 PolarHBondContact O-N 2.63Å
19	P	64	Low	62.4	Low	52 Å²	52	80.6 Å²	80.6	34%	0.338	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-59.2	126.2	175.3	-20.4	32	0	0	0	109.6	E21 L22 F197	P19-E21 WeakPolarHBondContact CB-O 3.36Å; P19-E21 PolarHBondContact O-N 2.83Å; P19-L22 HydrophobicContact CB-CD2 4.27Å; P19-L22 HydrophobicContact CG-CD2 4.37Å; P19-F197 WeakPolarHBondContact O-CZ 3.33Å
20	W	77.6	Confident	65.4	Low	219 Å²	219	77.6 Å²	77.6	83%	0.83	46%	0.456	S	S	*	.	S	Bend	trans	-72	-12.2	172.9	-67.8	65.7	0	0	0	111.8	E18	E18-W20 PolarHBondContact O-N 2.63Å
21	E	90.8	Very high	68.2	Low	65 Å²	65	71.1 Å²	71.1	30%	0.304	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.8	140.3	-175	-47.7	-174.9	-167.3	0	0	108.4	P19 L66 L67 R68	P19-E21 WeakPolarHBondContact CB-O 3.36Å; P19-E21 PolarHBondContact O-N 2.83Å; E21-L66 VanDerWaalsContact OE2-CD1 3.22Å; E21-L66 WeakPolarHBondContact OE2-CD1 3.34Å; E21-L67 CarbonylContact C-O 3.56Å; E21-L67 VanDerWaalsContact CA-O 3.31Å; E21-L67 WeakPolarHBondContact CA-O 3.43Å; E21-R68 HydrophobicContact CG-CG 4.24Å; E21-R68 IonicContact OE1-CZ 2.63Å; E21-R68 IonicContact OE1-NH1 2.69Å; E21-R68 PolarHBondContact OE1-NH1 3.4Å; E21-R68 IonicContact OE1-NH2 3.95Å; E21-R68 PolarHBondContact OE1-NH2 3.43Å; E21-R68 IonicContact OE2-CZ 3.27Å; E21-R68 IonicContact OE2-NH1 3.68Å; E21-R68 IonicContact OE2-NH2 2.89Å; E21-R68 PolarHBondContact OE2-NH2 2.91Å
22	L	93.1	Very high	70.8	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	137.5	174	-70.7	174.2	0	0	0	108.6	P19 V27 L66 L67 F197 T200 L201	P19-L22 HydrophobicContact CB-CD2 4.27Å; P19-L22 HydrophobicContact CG-CD2 4.37Å; L22-V27 HydrophobicContact CB-CG2 4.42Å; L22-L66 CarbonylContact O-C 3.54Å; L22-L66 WeakPolarHBondContact O-CA 3.23Å; L22-L67 PolarHBondContact N-O 2.92Å; L22-L67 PolarHBondContact O-N 3.07Å; L22-F197 HydrophobicContact CB-CD2 4.14Å; L22-F197 HydrophobicContact CB-CE2 4.11Å; L22-F197 HydrophobicContact CD1-CD2 3.72Å; L22-F197 HydrophobicContact CD1-CE2 3.89Å; L22-F197 HydrophobicContact CD1-CG 4.24Å; L22-F197 HydrophobicContact CG-CD2 3.91Å; L22-F197 HydrophobicContact CG-CE2 3.65Å; L22-F197 HydrophobicContact CG-CZ 4.4Å; L22-T200 HydrophobicContact CD1-CG2 3.79Å; L22-L201 HydrophobicContact CD1-CD2 3.89Å; L22-L201 HydrophobicContact CD1-CG 4.18Å; L22-L201 HydrophobicContact CD2-CD2 4Å; L22-L201 HydrophobicContact CG-CD2 4.25Å
23	S	94.4	Very high	73.3	Confident	4 Å²	4	69.5 Å²	69.5	3%	0.028	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.8	151.3	167.9	80.1	0	0	0	0	110.9	E25 E26 V27 L65	S23-E25 PolarHBondContact O-N 2.95Å; S23-E26 PolarHBondContact N-OE2 2.74Å; S23-E26 VanDerWaalsContact N-OE2 3.11Å; S23-E26 WeakPolarHBondContact O-CB 3.3Å; S23-E26 PolarHBondContact O-N 3.31Å; S23-E26 WeakPolarHBondContact OG-CG 3.46Å; S23-E26 PolarHBondContact OG-N 2.85Å; S23-V27 PolarHBondContact O-N 2.56Å; S23-V27 VanDerWaalsContact O-N 3.16Å; S23-L65 CarbonylContact C-O 3.54Å; S23-L65 VanDerWaalsContact CA-O 3.28Å; S23-L65 WeakPolarHBondContact CA-O 3.29Å
24	L	94.8	Very high	75.9	Confident	0 Å²	0	67.6 Å²	67.6	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-60.8	-32.1	174.1	179.2	61	0	0	0	111.3	V27 L28 L35 V43 T62 L65 L67 A108	L24-V27 HydrophobicContact CD1-CB 4.47Å; L24-V27 WeakPolarHBondContact O-CB 3.47Å; L24-V27 PolarHBondContact O-N 2.82Å; L24-L28 HydrophobicContact CG-CD1 4.24Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.21Å; L24-L28 PolarHBondContact O-N 2.88Å; L24-L35 HydrophobicContact CD1-CD1 4.02Å; L24-L35 HydrophobicContact CD1-CD2 3.99Å; L24-L35 HydrophobicContact CD1-CG 4.28Å; L24-L35 HydrophobicContact CD2-CD1 4.46Å; L24-V43 HydrophobicContact CD2-CG1 4.29Å; L24-T62 WeakPolarHBondContact CB-O 3.4Å; L24-T62 HydrophobicContact CD2-CG2 4.39Å; L24-L65 HydrophobicContact CB-CB 4.07Å; L24-L65 HydrophobicContact CD2-CD1 3.84Å; L24-L65 PolarHBondContact N-O 3.32Å; L24-L67 HydrophobicContact CB-CD1 3.96Å; L24-L67 HydrophobicContact CD1-CD1 4.21Å; L24-A108 HydrophobicContact CD2-CB 3.77Å; L24-A108 HydrophobicContact CG-CB 4.38Å
25	E	93.5	Very high	78.5	Confident	61 Å²	61	63.8 Å²	63.8	29%	0.285	32%	0.319	S	S	.	.	H	α-helix	trans	-62.2	-38.4	171.3	-169.3	-167.2	-173.8	0	0	112.7	S23 V27 K29 W111	S23-E25 PolarHBondContact O-N 2.95Å; E25-V27 VanDerWaalsContact C-N 3.33Å; E25-K29 VanDerWaalsContact CD-NZ 3.26Å; E25-K29 HydrophobicContact CG-CD 4.2Å; E25-K29 WeakPolarHBondContact O-CB 3.48Å; E25-K29 VanDerWaalsContact O-CG 3.27Å; E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 3.43Å; E25-K29 VanDerWaalsContact OE1-CE 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.39Å; E25-K29 IonicContact OE1-NZ 3.18Å; E25-K29 PolarHBondContact OE1-NZ 2.98Å; E25-K29 IonicContact OE2-NZ 3.76Å; E25-W111 HydrophobicContact CG-CH2 4.33Å
26	E	92.8	Very high	81.1	Confident	55 Å²	55	63 Å²	63	26%	0.257	30%	0.295	S	S	.	.	H	α-helix	trans	-66.3	-35	173.7	-75.3	-177	101.5	0	0	112.4	S23 A30 R204	S23-E26 PolarHBondContact N-OE2 2.74Å; S23-E26 VanDerWaalsContact N-OE2 3.11Å; S23-E26 WeakPolarHBondContact O-CB 3.3Å; S23-E26 PolarHBondContact O-N 3.31Å; S23-E26 WeakPolarHBondContact OG-CG 3.46Å; S23-E26 PolarHBondContact OG-N 2.85Å; E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.33Å; E26-A30 PolarHBondContact O-N 3.48Å; E26-R204 IonicContact OE1-CZ 2.69Å; E26-R204 VanDerWaalsContact OE1-CZ 3.23Å; E26-R204 IonicContact OE1-NH1 3.59Å; E26-R204 PolarHBondContact OE1-NH1 3.4Å; E26-R204 IonicContact OE1-NH2 3.24Å; E26-R204 PolarHBondContact OE1-NH2 3.4Å
27	V	93.2	Very high	83.7	Confident	2 Å²	2	54.4 Å²	54.4	1%	0.012	27%	0.265	C	S	.	.	H	α-helix	trans	-64.5	-52.3	174.6	175.3	0	0	0	0	110.1	L22 S23 L24 E25 K29 A30 Y31 L67 L196 T200	L22-V27 HydrophobicContact CB-CG2 4.42Å; S23-V27 PolarHBondContact O-N 2.56Å; S23-V27 VanDerWaalsContact O-N 3.16Å; L24-V27 HydrophobicContact CD1-CB 4.47Å; L24-V27 WeakPolarHBondContact O-CB 3.47Å; L24-V27 PolarHBondContact O-N 2.82Å; E25-V27 VanDerWaalsContact C-N 3.33Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 2.75Å; V27-A30 PolarHBondContact O-N 3.2Å; V27-A30 VanDerWaalsContact O-N 3.08Å; V27-Y31 HydrophobicContact CG1-CD2 4.24Å; V27-Y31 HydrophobicContact CG1-CE2 4.41Å; V27-Y31 WeakPolarHBondContact O-CD2 3.32Å; V27-Y31 PolarHBondContact O-N 3.18Å; V27-L67 HydrophobicContact CG2-CD2 4.41Å; V27-L196 HydrophobicContact CG1-CD1 3.67Å; V27-L196 HydrophobicContact CG1-CD2 4.29Å; V27-L196 HydrophobicContact CG1-CG 4.04Å; V27-T200 HydrophobicContact CG2-CG2 4.16Å
28	L	91.8	Very high	86	Confident	2 Å²	2	51.1 Å²	51.1	1%	0.01	24%	0.24	C	C	.	.	H	α-helix	trans	-59.4	-40.7	178.9	-66.7	167.6	0	0	0	112	L24 E32 Q33 L35 T62 A108 W111	L24-L28 HydrophobicContact CG-CD1 4.24Å; L24-L28 VanDerWaalsContact O-CG 3.3Å; L24-L28 WeakPolarHBondContact O-CG 3.21Å; L24-L28 PolarHBondContact O-N 2.88Å; L28-E32 WeakPolarHBondContact O-CA 3.43Å; L28-E32 PolarHBondContact O-N 3.02Å; L28-Q33 WeakPolarHBondContact CD2-O 3.49Å; L28-L35 HydrophobicContact CD2-CD2 4.43Å; L28-L35 HydrophobicContact CD2-CG 4.27Å; L28-T62 HydrophobicContact CD1-CG2 4.05Å; L28-A108 HydrophobicContact CD1-CB 3.9Å; L28-A108 HydrophobicContact CD2-CB 4.41Å; L28-W111 HydrophobicContact CB-CD2 3.8Å; L28-W111 HydrophobicContact CB-CE3 4.27Å; L28-W111 HydrophobicContact CB-CG 4.04Å; L28-W111 HydrophobicContact CB-CZ2 4.24Å; L28-W111 HydrophobicContact CD1-CB 4.35Å; L28-W111 HydrophobicContact CD1-CD2 3.94Å; L28-W111 HydrophobicContact CD1-CE3 3.76Å; L28-W111 HydrophobicContact CD1-CG 4.21Å; L28-W111 HydrophobicContact CD1-CZ3 4.38Å; L28-W111 HydrophobicContact CD2-CB 4.05Å; L28-W111 HydrophobicContact CD2-CG 4.08Å; L28-W111 HydrophobicContact CG-CD2 4.32Å; L28-W111 HydrophobicContact CG-CG 4.34Å
29	K	90.3	Very high	88	Confident	112 Å²	112	48 Å²	48	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-70.2	-27.4	174.9	-73.7	175.2	-176.4	172.5	0	114.2	E25 V27 W111	E25-K29 VanDerWaalsContact CD-NZ 3.26Å; E25-K29 HydrophobicContact CG-CD 4.2Å; E25-K29 WeakPolarHBondContact O-CB 3.48Å; E25-K29 VanDerWaalsContact O-CG 3.27Å; E25-K29 WeakPolarHBondContact O-CG 3.35Å; E25-K29 PolarHBondContact O-N 3.43Å; E25-K29 VanDerWaalsContact OE1-CE 3.27Å; E25-K29 WeakPolarHBondContact OE1-CE 3.39Å; E25-K29 IonicContact OE1-NZ 3.18Å; E25-K29 PolarHBondContact OE1-NZ 2.98Å; E25-K29 IonicContact OE2-NZ 3.76Å; V27-K29 VanDerWaalsContact C-N 3.32Å; V27-K29 PolarHBondContact O-N 2.75Å; K29-W111 HydrophobicContact CG-CH2 4.2Å; K29-W111 HydrophobicContact CG-CZ2 3.83Å
30	A	86.4	Confident	89.5	Confident	13 Å²	13	45.5 Å²	45.5	11%	0.107	21%	0.21	C	C	.	.	H	α-helix	trans	-74.9	-36.8	178.3	0	0	0	0	0	112.1	E26 V27 T200 L203 R204	E26-A30 VanDerWaalsContact O-CB 3.29Å; E26-A30 WeakPolarHBondContact O-CB 3.33Å; E26-A30 PolarHBondContact O-N 3.48Å; V27-A30 PolarHBondContact O-N 3.2Å; V27-A30 VanDerWaalsContact O-N 3.08Å; A30-T200 HydrophobicContact CB-CG2 3.88Å; A30-L203 WeakPolarHBondContact O-CD2 3.2Å; A30-R204 HydrophobicContact CB-CG 4.21Å
31	Y	82.9	Confident	90.4	Very high	25 Å²	25	35.4 Å²	35.4	10%	0.098	17%	0.171	C	C	.	.	H	α-helix	trans	-88.2	-20.5	176.8	-75.5	-79.7	0	0	0	114	V27 Q33 L196 E199 L203 V247	V27-Y31 HydrophobicContact CG1-CD2 4.24Å; V27-Y31 HydrophobicContact CG1-CE2 4.41Å; V27-Y31 WeakPolarHBondContact O-CD2 3.32Å; V27-Y31 PolarHBondContact O-N 3.18Å; Y31-Q33 WeakPolarHBondContact O-CG 3.31Å; Y31-Q33 PolarHBondContact O-N 2.99Å; Y31-L196 HydrophobicContact CE2-CD1 4.32Å; Y31-E199 VanDerWaalsContact OH-CB 3.25Å; Y31-E199 WeakPolarHBondContact OH-CB 3.46Å; Y31-E199 PolarHBondContact OH-O 3.41Å; Y31-L203 HydrophobicContact CD1-CD2 3.57Å; Y31-L203 HydrophobicContact CD2-CD2 4.29Å; Y31-L203 HydrophobicContact CE1-CD2 3.54Å; Y31-L203 HydrophobicContact CE2-CD2 4.26Å; Y31-L203 HydrophobicContact CG-CD2 3.95Å; Y31-V247 HydrophobicContact CD1-CG2 3.63Å; Y31-V247 HydrophobicContact CE1-CG2 3.61Å
32	E	83.9	Confident	90.7	Very high	97 Å²	97	32.3 Å²	32.3	45%	0.453	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.5	36.3	-168.9	-60.2	-169.4	-120.1	0	0	112	L28 H239 T240	L28-E32 WeakPolarHBondContact O-CA 3.43Å; L28-E32 PolarHBondContact O-N 3.02Å; E32-H239 VanDerWaalsContact OE1-CB 3.32Å; E32-H239 WeakPolarHBondContact OE1-CB 3.44Å; E32-T240 HydrophobicContact CB-CG2 3.89Å; E32-T240 HydrophobicContact CG-CG2 4.2Å; E32-T240 PolarHBondContact OE1-N 3.16Å; E32-T240 WeakPolarHBondContact OE2-CG2 3.49Å
33	Q	82.1	Confident	90.8	Very high	65 Å²	65	32.3 Å²	32.3	30%	0.304	16%	0.157	S	C	.	.	S	Bend	trans	-145.5	152.3	-175.2	-71.6	172.8	28.3	0	0	110	L28 Y31	L28-Q33 WeakPolarHBondContact CD2-O 3.49Å; Y31-Q33 WeakPolarHBondContact O-CG 3.31Å; Y31-Q33 PolarHBondContact O-N 2.99Å
34	P	88.1	Confident	91	Very high	45 Å²	45	32.2 Å²	32.2	29%	0.292	16%	0.156	S	C	.	.	P	Polyproline II helix	trans	-71.5	165.1	172.8	31.6	-35.6	0	0	0	112.2	A108 L109 W111	P34-A108 CarbonylContact C-O 3.59Å; P34-A108 WeakPolarHBondContact CA-O 3.39Å; P34-A108 WeakPolarHBondContact CB-O 3.44Å; P34-L109 WeakPolarHBondContact CB-O 3.39Å; P34-W111 HydrophobicContact CB-CB 4.04Å; P34-W111 WeakPolarHBondContact CD-O 3.46Å
35	L	88.6	Confident	91.1	Very high	4 Å²	4	32.9 Å²	32.9	2%	0.021	16%	0.159	C	C	.	.	P	Polyproline II helix	trans	-59	152.7	168.8	-67.3	-173.7	0	0	0	111.2	L24 L28 Q39 V43 A108 L109 R119 L196	L24-L35 HydrophobicContact CD1-CD1 4.02Å; L24-L35 HydrophobicContact CD1-CD2 3.99Å; L24-L35 HydrophobicContact CD1-CG 4.28Å; L24-L35 HydrophobicContact CD2-CD1 4.46Å; L28-L35 HydrophobicContact CD2-CD2 4.43Å; L28-L35 HydrophobicContact CD2-CG 4.27Å; L35-Q39 HydrophobicContact CB-CB 4.26Å; L35-Q39 HydrophobicContact CD1-CB 4.42Å; L35-Q39 HydrophobicContact CD2-CB 4.05Å; L35-Q39 HydrophobicContact CG-CB 4.48Å; L35-V43 HydrophobicContact CD1-CG2 4.33Å; L35-A108 HydrophobicContact CD1-CB 3.86Å; L35-A108 HydrophobicContact CG-CB 4.03Å; L35-A108 PolarHBondContact N-O 3.14Å; L35-L109 HydrophobicContact CB-CD2 4.43Å; L35-R119 PolarHBondContact O-NH1 2.76Å; L35-R119 PolarHBondContact O-NH2 2.94Å; L35-L196 HydrophobicContact CD2-CD2 4.03Å
36	N	88.4	Confident	91.2	Very high	63 Å²	63	30.3 Å²	30.3	34%	0.337	15%	0.147	S	C	.	.	P	Polyproline II helix	trans	-83	165.3	158.9	70.5	46.2	0	0	0	110.8	E38 Q39 A40	N36-E38 VanDerWaalsContact C-N 3.31Å; N36-E38 PolarHBondContact O-N 2.72Å; N36-E38 WeakPolarHBondContact OD1-CB 3.35Å; N36-E38 PolarHBondContact OD1-N 2.94Å; N36-E38 VanDerWaalsContact OD1-N 3.12Å; N36-Q39 VanDerWaalsContact ND2-CD 3.27Å; N36-Q39 PolarHBondContact ND2-NE2 2.89Å; N36-Q39 PolarHBondContact ND2-OE1 3.18Å; N36-Q39 PolarHBondContact O-N 2.71Å; N36-Q39 VanDerWaalsContact OD1-CG 3.3Å; N36-Q39 WeakPolarHBondContact OD1-CG 3.41Å; N36-Q39 PolarHBondContact OD1-N 2.76Å; N36-A40 PolarHBondContact O-N 3.01Å
37	E	88.1	Confident	91.3	Very high	53 Å²	53	27.7 Å²	27.7	25%	0.248	14%	0.135	C	C	.	.	H	α-helix	trans	-58.2	-42.4	-177.8	-66.2	-157.6	-162.5	0	0	112.8	Q39 A40 W41 S122 L125	E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-Q39 PolarHBondContact O-N 2.98Å; E37-A40 WeakPolarHBondContact O-CA 3.23Å; E37-A40 WeakPolarHBondContact O-CB 3.37Å; E37-A40 PolarHBondContact O-N 3.47Å; E37-W41 PolarHBondContact O-N 2.94Å; E37-S122 WeakPolarHBondContact OE1-CB 3.48Å; E37-S122 PolarHBondContact OE1-N 2.93Å; E37-S122 WeakPolarHBondContact OE2-CB 3.46Å; E37-S122 PolarHBondContact OE2-OG 2.89Å; E37-L125 HydrophobicContact CB-CD2 3.77Å; E37-L125 HydrophobicContact CG-CD2 3.55Å
38	E	89.7	Confident	91.3	Very high	41 Å²	41	27.6 Å²	27.6	19%	0.192	13%	0.134	C	C	.	.	H	α-helix	trans	-62.9	-38.8	-177.1	-166.9	54.1	-136.2	0	0	111.8	N36 A42 R178 H188 V192 F274	N36-E38 VanDerWaalsContact C-N 3.31Å; N36-E38 PolarHBondContact O-N 2.72Å; N36-E38 WeakPolarHBondContact OD1-CB 3.35Å; N36-E38 PolarHBondContact OD1-N 2.94Å; N36-E38 VanDerWaalsContact OD1-N 3.12Å; E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 3.08Å; E38-R178 IonicContact OE1-CZ 3.62Å; E38-R178 IonicContact OE1-NH2 3.72Å; E38-R178 PolarHBondContact OE1-NH2 3.18Å; E38-R178 IonicContact OE2-CZ 2.7Å; E38-R178 VanDerWaalsContact OE2-CZ 3.25Å; E38-R178 IonicContact OE2-NH1 2.7Å; E38-R178 PolarHBondContact OE2-NH1 2.69Å; E38-R178 IonicContact OE2-NH2 2.76Å; E38-R178 PolarHBondContact OE2-NH2 2.75Å; E38-H188 IonicContact OE1-CD2 3.96Å; E38-H188 IonicContact OE1-CE1 2.75Å; E38-H188 IonicContact OE1-NE2 2.78Å; E38-H188 PolarHBondContact OE1-NE2 3.35Å; E38-V192 HydrophobicContact CG-CG2 4.29Å; E38-F274 HydrophobicContact CG-CE2 4.11Å; E38-F274 HydrophobicContact CG-CZ 4.29Å
39	Q	93.9	Very high	91.4	Very high	29 Å²	29	32.7 Å²	32.7	14%	0.136	15%	0.153	C	C	.	.	H	α-helix	trans	-66.3	-40.5	171.2	-67.6	163	-14.9	0	0	111.8	L35 N36 E37 A42 V43 V192 L196	L35-Q39 HydrophobicContact CB-CB 4.26Å; L35-Q39 HydrophobicContact CD1-CB 4.42Å; L35-Q39 HydrophobicContact CD2-CB 4.05Å; L35-Q39 HydrophobicContact CG-CB 4.48Å; N36-Q39 VanDerWaalsContact ND2-CD 3.27Å; N36-Q39 PolarHBondContact ND2-NE2 2.89Å; N36-Q39 PolarHBondContact ND2-OE1 3.18Å; N36-Q39 PolarHBondContact O-N 2.71Å; N36-Q39 VanDerWaalsContact OD1-CG 3.3Å; N36-Q39 WeakPolarHBondContact OD1-CG 3.41Å; N36-Q39 PolarHBondContact OD1-N 2.76Å; E37-Q39 VanDerWaalsContact C-N 3.3Å; E37-Q39 PolarHBondContact O-N 2.98Å; Q39-A42 PolarHBondContact O-N 3.21Å; Q39-V43 WeakPolarHBondContact O-CB 3.25Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.38Å; Q39-V43 PolarHBondContact O-N 3.42Å; Q39-V192 HydrophobicContact CG-CG1 4.18Å; Q39-L196 HydrophobicContact CB-CD2 4.28Å; Q39-L196 HydrophobicContact CG-CD2 4.11Å
40	A	95.5	Very high	91.4	Very high	0 Å²	0	29 Å²	29	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-63.8	-43.7	176.5	0	0	0	0	0	112.2	N36 E37 A42 V43 C44 I105 L109 L125	N36-A40 PolarHBondContact O-N 3.01Å; E37-A40 WeakPolarHBondContact O-CA 3.23Å; E37-A40 WeakPolarHBondContact O-CB 3.37Å; E37-A40 PolarHBondContact O-N 3.47Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A42 PolarHBondContact O-N 3.31Å; A40-V43 PolarHBondContact O-N 2.85Å; A40-C44 VanDerWaalsContact O-CB 3.27Å; A40-C44 WeakPolarHBondContact O-CB 3.41Å; A40-C44 PolarHBondContact O-N 2.65Å; A40-I105 HydrophobicContact CB-CG2 3.81Å; A40-L109 HydrophobicContact CB-CD1 3.9Å; A40-L109 HydrophobicContact CB-CD2 3.78Å; A40-L109 HydrophobicContact CB-CG 3.94Å; A40-L125 HydrophobicContact CB-CD2 4.42Å
41	W	95.9	Very high	91.5	Very high	7 Å²	7	28.4 Å²	28.4	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-59.2	-42	171.6	-73.9	110.5	0	0	0	112.1	E37 C44 F45 Q124 L125 L128 C175 R178 Y189	E37-W41 PolarHBondContact O-N 2.94Å; W41-C44 PolarHBondContact O-N 2.78Å; W41-F45 PolarHBondContact O-N 3.02Å; W41-Q124 HydrophobicContact CH2-CB 4.32Å; W41-Q124 WeakPolarHBondContact CH2-O 3.27Å; W41-Q124 HydrophobicContact CZ2-CB 4Å; W41-L125 HydrophobicContact CD2-CD1 4.04Å; W41-L125 HydrophobicContact CG-CD1 4.41Å; W41-L125 VanDerWaalsContact CZ2-CA 3.41Å; W41-L125 HydrophobicContact CZ2-CB 3.66Å; W41-L125 HydrophobicContact CZ2-CD1 4.05Å; W41-L125 HydrophobicContact CZ2-CG 4.44Å; W41-L128 HydrophobicContact CE3-CD2 3.74Å; W41-L128 HydrophobicContact CH2-CB 4.08Å; W41-L128 HydrophobicContact CH2-CD2 4.02Å; W41-L128 HydrophobicContact CZ3-CB 4.24Å; W41-L128 HydrophobicContact CZ3-CD2 3.34Å; W41-L128 HydrophobicContact CZ3-CG 4.36Å; W41-C175 HydrophobicContact CE3-CB 4.07Å; W41-C175 HydrophobicContact CZ3-CB 4.39Å; W41-R178 VanDerWaalsContact CE2-CD 3.44Å; W41-R178 VanDerWaalsContact CG-NE 3.25Å; W41-Y189 HydrophobicContact CB-CE1 3.74Å
42	A	96.4	Very high	91.5	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	16%	0.16	C	C	.	.	H	α-helix	trans	-66.4	-48.6	178.6	0	0	0	0	0	113	E38 Q39 A40 C44 F45 Q46 Y189 V192	E38-A42 WeakPolarHBondContact O-CB 3.48Å; E38-A42 PolarHBondContact O-N 3.08Å; Q39-A42 PolarHBondContact O-N 3.21Å; A40-A42 VanDerWaalsContact C-N 3.32Å; A40-A42 PolarHBondContact O-N 3.31Å; A42-C44 VanDerWaalsContact C-N 3.27Å; A42-C44 PolarHBondContact O-N 2.81Å; A42-F45 PolarHBondContact O-N 2.79Å; A42-Q46 WeakPolarHBondContact O-CB 3.42Å; A42-Q46 WeakPolarHBondContact O-CG 3.46Å; A42-Q46 PolarHBondContact O-N 2.8Å; A42-Y189 HydrophobicContact CB-CD1 3.62Å; A42-Y189 HydrophobicContact CB-CE1 4.45Å; A42-Y189 HydrophobicContact CB-CG 4.29Å; A42-V192 HydrophobicContact CB-CB 3.62Å; A42-V192 HydrophobicContact CB-CG1 3.51Å; A42-V192 HydrophobicContact CB-CG2 4.42Å
43	V	97	Very high	90.8	Very high	0 Å²	0	32 Å²	32	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-61.4	-37.7	175.6	170	0	0	0	0	110.6	L24 L35 Q39 A40 G47 L65 I105	L24-V43 HydrophobicContact CD2-CG1 4.29Å; L35-V43 HydrophobicContact CD1-CG2 4.33Å; Q39-V43 WeakPolarHBondContact O-CB 3.25Å; Q39-V43 VanDerWaalsContact O-CG2 3.31Å; Q39-V43 WeakPolarHBondContact O-CG2 3.38Å; Q39-V43 PolarHBondContact O-N 3.42Å; A40-V43 PolarHBondContact O-N 2.85Å; V43-G47 VanDerWaalsContact O-CA 3.32Å; V43-G47 WeakPolarHBondContact O-CA 3.29Å; V43-G47 PolarHBondContact O-N 3.02Å; V43-L65 HydrophobicContact CG1-CD1 4.24Å; V43-I105 HydrophobicContact CG1-CG1 4.45Å
44	C	96.8	Very high	90.1	Very high	2 Å²	2	31.8 Å²	31.8	1%	0.014	18%	0.18	C	C	.	.	H	α-helix	trans	-62.3	-53.8	173.6	-170.5	0	0	0	0	112.4	A40 W41 A42 C48 I105 M132	A40-C44 VanDerWaalsContact O-CB 3.27Å; A40-C44 WeakPolarHBondContact O-CB 3.41Å; A40-C44 PolarHBondContact O-N 2.65Å; W41-C44 PolarHBondContact O-N 2.78Å; A42-C44 VanDerWaalsContact C-N 3.27Å; A42-C44 PolarHBondContact O-N 2.81Å; C44-C48 VanDerWaalsContact O-CB 3.31Å; C44-C48 WeakPolarHBondContact O-CB 3.23Å; C44-C48 PolarHBondContact O-N 3.46Å; C44-C48 PolarHBondContact O-SG 2.88Å; C44-I105 HydrophobicContact CB-CD1 3.53Å; C44-M132 VanDerWaalsContact SG-SD 3.69Å
45	F	97.1	Very high	88.7	Confident	15 Å²	15	33.8 Å²	33.8	7%	0.066	19%	0.193	C	C	.	.	H	α-helix	trans	-62.6	-50.3	-178.5	-177.4	-82.4	0	0	0	111.6	W41 A42 C48 R49 M172 C175 A185 Q186 Y189	W41-F45 PolarHBondContact O-N 3.02Å; A42-F45 PolarHBondContact O-N 2.79Å; F45-C48 PolarHBondContact O-N 2.88Å; F45-R49 WeakPolarHBondContact O-CB 3.41Å; F45-R49 PolarHBondContact O-N 3.37Å; F45-M172 HydrophobicContact CD1-SD 4.41Å; F45-M172 HydrophobicContact CD2-CB 3.8Å; F45-M172 HydrophobicContact CD2-CG 3.76Å; F45-M172 HydrophobicContact CD2-SD 4.31Å; F45-M172 HydrophobicContact CE1-SD 4.24Å; F45-M172 HydrophobicContact CE2-CB 3.79Å; F45-M172 HydrophobicContact CE2-CG 4Å; F45-M172 HydrophobicContact CE2-SD 4.16Å; F45-M172 HydrophobicContact CG-CG 4.14Å; F45-M172 HydrophobicContact CG-SD 4.44Å; F45-M172 HydrophobicContact CZ-SD 4.12Å; F45-C175 HydrophobicContact CB-CB 4.06Å; F45-C175 HydrophobicContact CD2-CB 3.86Å; F45-C175 HydrophobicContact CG-CB 4.46Å; F45-A185 HydrophobicContact CE2-CB 3.93Å; F45-A185 HydrophobicContact CZ-CB 4.18Å; F45-Q186 HydrophobicContact CE1-CB 4.04Å; F45-Q186 HydrophobicContact CE1-CG 4.4Å; F45-Q186 HydrophobicContact CZ-CB 4.19Å; F45-Y189 HydrophobicContact CB-CD2 3.46Å; F45-Y189 VanDerWaalsContact CB-CD2 3.46Å; F45-Y189 HydrophobicContact CB-CE2 3.94Å; F45-Y189 HydrophobicContact CB-CG 3.91Å; F45-Y189 AromaticContact CD1-CD2 3.73Å; F45-Y189 HydrophobicContact CD1-CD2 3.73Å; F45-Y189 HydrophobicContact CD1-CG 4.27Å; F45-Y189 AromaticContact CD2-CD2 3.65Å; F45-Y189 HydrophobicContact CD2-CD2 3.65Å; F45-Y189 AromaticContact CD2-CE2 3.88Å; F45-Y189 HydrophobicContact CD2-CE2 3.88Å; F45-Y189 HydrophobicContact CE1-CD2 4.38Å; F45-Y189 HydrophobicContact CE2-CD2 4.3Å; F45-Y189 AromaticContact CG-CD2 3.33Å; F45-Y189 HydrophobicContact CG-CD2 3.33Å; F45-Y189 AromaticContact CG-CE2 3.95Å; F45-Y189 HydrophobicContact CG-CE2 3.95Å; F45-Y189 HydrophobicContact CG-CG 4.1Å
46	Q	96.3	Very high	87.4	Confident	6 Å²	6	35 Å²	35	3%	0.028	21%	0.206	C	C	.	.	H	α-helix	trans	-70.9	-34.7	-177.8	-68.1	-71.5	85.9	0	0	111.8	A42 R49 G50 G71 V73	A42-Q46 WeakPolarHBondContact O-CB 3.42Å; A42-Q46 WeakPolarHBondContact O-CG 3.46Å; A42-Q46 PolarHBondContact O-N 2.8Å; Q46-R49 WeakPolarHBondContact O-CB 3.18Å; Q46-R49 PolarHBondContact O-N 2.86Å; Q46-G50 PolarHBondContact O-N 2.94Å; Q46-G71 PolarHBondContact NE2-O 2.9Å; Q46-V73 HydrophobicContact CB-CB 3.85Å; Q46-V73 HydrophobicContact CB-CG2 3.68Å; Q46-V73 VanDerWaalsContact O-O 3.13Å
47	G	94.5	Very high	86.6	Confident	0 Å²	0	34.3 Å²	34.3	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-64.3	-48	173.7	0	0	0	0	0	111.7	V43 R49 G50 L51	V43-G47 VanDerWaalsContact O-CA 3.32Å; V43-G47 WeakPolarHBondContact O-CA 3.29Å; V43-G47 PolarHBondContact O-N 3.02Å; G47-R49 PolarHBondContact O-N 3.05Å; G47-G50 PolarHBondContact O-N 2.96Å; G47-L51 VanDerWaalsContact O-CB 3.31Å; G47-L51 WeakPolarHBondContact O-CB 3.36Å; G47-L51 WeakPolarHBondContact O-CD1 3.49Å; G47-L51 WeakPolarHBondContact O-CG 3.38Å; G47-L51 PolarHBondContact O-N 3.43Å
48	C	94.4	Very high	86.1	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-56.5	-37.3	171.3	-72.7	0	0	0	0	112.2	C44 F45 R52 L101 F168 A171 M172	C44-C48 VanDerWaalsContact O-CB 3.31Å; C44-C48 WeakPolarHBondContact O-CB 3.23Å; C44-C48 PolarHBondContact O-N 3.46Å; C44-C48 PolarHBondContact O-SG 2.88Å; F45-C48 PolarHBondContact O-N 2.88Å; C48-R52 WeakPolarHBondContact O-CG 3.48Å; C48-R52 PolarHBondContact O-N 3.23Å; C48-L101 WeakPolarHBondContact SG-CD2 3.46Å; C48-F168 HydrophobicContact CB-CB 4.04Å; C48-F168 HydrophobicContact CB-CD1 3.96Å; C48-F168 HydrophobicContact CB-CG 4.4Å; C48-A171 VanDerWaalsContact SG-CB 3.52Å; C48-M172 HydrophobicContact CB-CG 3.63Å; C48-M172 HydrophobicContact CB-SD 4.21Å
49	R	93	Very high	85.8	Confident	109 Å²	109	37.1 Å²	37.1	41%	0.411	21%	0.206	S	C	.	.	H	α-helix	trans	-68.4	-45.1	177.3	-169	-172.4	177.9	92.9	-1.3	112.5	F45 Q46 G47 M172 Q186	F45-R49 WeakPolarHBondContact O-CB 3.41Å; F45-R49 PolarHBondContact O-N 3.37Å; Q46-R49 WeakPolarHBondContact O-CB 3.18Å; Q46-R49 PolarHBondContact O-N 2.86Å; G47-R49 PolarHBondContact O-N 3.05Å; R49-M172 HydrophobicContact CB-SD 3.82Å; R49-M172 HydrophobicContact CG-SD 4.46Å; R49-Q186 VanDerWaalsContact NH2-OE1 3.1Å
50	G	89.9	Confident	85.3	Confident	35 Å²	35	45.9 Å²	45.9	36%	0.361	24%	0.238	S	C	.	.	H	α-helix	trans	-70.1	-40.3	-179.8	0	0	0	0	0	113.2	Q46 G47 R52 G53 V73	Q46-G50 PolarHBondContact O-N 2.94Å; G47-G50 PolarHBondContact O-N 2.96Å; G50-R52 VanDerWaalsContact C-N 3.25Å; G50-R52 PolarHBondContact O-N 3.34Å; G50-G53 PolarHBondContact O-N 2.98Å; G50-V73 WeakPolarHBondContact CA-O 3.38Å
51	L	88.5	Confident	84.8	Confident	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-69.4	-17.6	-179	-68.5	167.2	0	0	0	113.9	G47 G53 S54 L59 A75 T97 L101 F168	G47-L51 VanDerWaalsContact O-CB 3.31Å; G47-L51 WeakPolarHBondContact O-CB 3.36Å; G47-L51 WeakPolarHBondContact O-CD1 3.49Å; G47-L51 WeakPolarHBondContact O-CG 3.38Å; G47-L51 PolarHBondContact O-N 3.43Å; L51-G53 PolarHBondContact O-N 3.38Å; L51-S54 CarbonylContact O-C 3.58Å; L51-S54 VanDerWaalsContact O-C 3.31Å; L51-S54 PolarHBondContact O-N 3.01Å; L51-L59 HydrophobicContact CD1-CD1 4.19Å; L51-A75 HydrophobicContact CD2-CB 3.71Å; L51-T97 HydrophobicContact CD1-CG2 4.2Å; L51-L101 HydrophobicContact CD1-CD2 4.24Å; L51-F168 HydrophobicContact CB-CD1 4.5Å; L51-F168 HydrophobicContact CB-CE1 3.69Å; L51-F168 HydrophobicContact CB-CE2 4.2Å; L51-F168 HydrophobicContact CB-CZ 3.5Å; L51-F168 HydrophobicContact CD1-CE1 4.13Å
52	R	83.1	Confident	84.5	Confident	125 Å²	125	48.6 Å²	48.6	47%	0.472	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.2	-23.9	171.2	-83.1	172.4	168.2	-153.6	-2.3	114.1	C48 G50 S54 F168 A169 M172	C48-R52 WeakPolarHBondContact O-CG 3.48Å; C48-R52 PolarHBondContact O-N 3.23Å; G50-R52 VanDerWaalsContact C-N 3.25Å; G50-R52 PolarHBondContact O-N 3.34Å; R52-S54 VanDerWaalsContact C-N 3.3Å; R52-F168 HydrophobicContact CB-CD2 4.47Å; R52-F168 HydrophobicContact CG-CB 3.88Å; R52-F168 HydrophobicContact CG-CD2 3.59Å; R52-F168 HydrophobicContact CG-CE2 4.42Å; R52-F168 HydrophobicContact CG-CG 4.02Å; R52-A169 VanDerWaalsContact NH2-CB 3.29Å; R52-M172 VanDerWaalsContact NE-CE 3.35Å; R52-M172 VanDerWaalsContact NH2-CE 3.34Å
53	G	69.1	Low	84.1	Confident	74 Å²	74	49.3 Å²	49.3	76%	0.763	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.8	-13.6	175.2	0	0	0	0	0	114	G50 L51	G50-G53 PolarHBondContact O-N 2.98Å; L51-G53 PolarHBondContact O-N 3.38Å
54	S	67.1	Low	83.8	Confident	59 Å²	59	50.6 Å²	50.6	41%	0.413	27%	0.267	S	S	.	.	S	Bend	trans	-145.5	56.6	-173.8	47.4	0	0	0	0	112.6	L51 R52 G56	L51-S54 CarbonylContact O-C 3.58Å; L51-S54 VanDerWaalsContact O-C 3.31Å; L51-S54 PolarHBondContact O-N 3.01Å; R52-S54 VanDerWaalsContact C-N 3.3Å; S54-G56 PolarHBondContact O-N 3.3Å
55	P	59.2	Low	83.6	Confident	88 Å²	88	50.5 Å²	50.5	57%	0.571	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	125.8	175.2	28.6	-34.6	0	0	0	109.7
56	G	60.7	Low	83.4	Confident	28 Å²	28	50.3 Å²	50.3	29%	0.289	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	128.1	-6.8	-172.4	0	0	0	0	0	115.8	S54 S92	S54-G56 PolarHBondContact O-N 3.3Å; G56-S92 VanDerWaalsContact CA-O 3.27Å; G56-S92 WeakPolarHBondContact CA-O 3.36Å; G56-S92 PolarHBondContact N-O 3.19Å; G56-S92 PolarHBondContact O-N 2.78Å; G56-S92 PolarHBondContact O-OG 3.05Å; G56-S92 VanDerWaalsContact O-OG 3.05Å
57	R	72.6	Confident	83.3	Confident	50 Å²	50	50 Å²	50	19%	0.189	27%	0.265	C	S	.	.			trans	-101.6	100.6	-177	-167.8	-174	-176.6	-62.8	-3	112.9	L59 D64 R76 S92 T97	R57-L59 PolarHBondContact O-N 3.01Å; R57-D64 IonicContact CZ-OD1 3.31Å; R57-D64 IonicContact NH1-OD1 3.15Å; R57-D64 PolarHBondContact NH1-OD1 2.77Å; R57-D64 IonicContact NH2-OD1 3.79Å; R57-D64 PolarHBondContact NH2-OD1 2.81Å; R57-R76 PolarHBondContact NE-O 3Å; R57-R76 PolarHBondContact NH2-O 2.83Å; R57-S92 PolarHBondContact N-OG 3.21Å; R57-T97 WeakPolarHBondContact O-CG2 3.34Å
58	R	77.1	Confident	83.3	Confident	147 Å²	147	54.4 Å²	54.4	56%	0.555	28%	0.281	S	S	*	.			trans	-63.1	122.9	166.6	174.6	176.7	-96.4	-106.4	-0.7	111	S92	R58-S92 PolarHBondContact N-OG 3.41Å
59	L	84.4	Confident	83	Confident	6 Å²	6	56 Å²	56	3%	0.031	30%	0.298	C	S	.	.			trans	-74.4	138	166.8	-58.7	162.7	0	0	0	108.8	L51 R57 D64 L65 A75 S100 L101	L51-L59 HydrophobicContact CD1-CD1 4.19Å; R57-L59 PolarHBondContact O-N 3.01Å; L59-D64 HydrophobicContact CD2-CB 3.71Å; L59-L65 HydrophobicContact CD1-CD2 3.83Å; L59-L65 HydrophobicContact CD1-CG 4.42Å; L59-L65 HydrophobicContact CD2-CD2 3.88Å; L59-L65 HydrophobicContact CD2-CG 4.3Å; L59-A75 HydrophobicContact CD2-CB 4.18Å; L59-S100 WeakPolarHBondContact CB-OG 3.32Å; L59-S100 PolarHBondContact N-OG 3.05Å; L59-S100 WeakPolarHBondContact O-CB 3.46Å; L59-L101 HydrophobicContact CD1-CB 3.74Å; L59-L101 HydrophobicContact CD1-CD1 3.89Å; L59-L101 HydrophobicContact CD1-CG 4.43Å
60	R	82.5	Confident	82.9	Confident	212 Å²	212	54.8 Å²	54.8	80%	0.8	30%	0.299	S	S	*	.			trans	-98.2	-38.7	175.9	-56.9	-178.2	-176.2	-177.4	2.4	111.2	D64 R107	R60-D64 WeakPolarHBondContact CA-OD2 3.4Å; R60-D64 WeakPolarHBondContact CB-OD2 3.39Å; R60-D64 PolarHBondContact N-OD2 3.18Å; R60-R107 PolarHBondContact O-NH1 2.97Å
61	D	84.9	Confident	82.9	Confident	64 Å²	64	53.1 Å²	53.1	34%	0.342	28%	0.282	S	S	.	.	S	Bend	trans	-158.4	178	-177.3	-151.7	5.7	0	0	0	113.6	G63 D64 R107	D61-G63 PolarHBondContact O-N 3.34Å; D61-D64 PolarHBondContact N-OD2 3.2Å; D61-D64 WeakPolarHBondContact O-CB 3.38Å; D61-D64 PolarHBondContact O-N 2.89Å; D61-R107 VanDerWaalsContact CG-NH1 3.29Å; D61-R107 VanDerWaalsContact OD1-CD 3.31Å; D61-R107 WeakPolarHBondContact OD1-CD 3.22Å; D61-R107 IonicContact OD1-CZ 3.73Å; D61-R107 IonicContact OD1-NE 2.85Å; D61-R107 IonicContact OD1-NH1 2.66Å; D61-R107 PolarHBondContact OD1-NH1 3.25Å
62	T	89.7	Confident	83.1	Confident	1 Å²	1	54.7 Å²	54.7	1%	0.006	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-54.5	-33.7	175.7	58	0	0	0	0	113	L24 L28 D64 L65 A104 R107 A108	L24-T62 WeakPolarHBondContact CB-O 3.4Å; L24-T62 HydrophobicContact CD2-CG2 4.39Å; L28-T62 HydrophobicContact CD1-CG2 4.05Å; T62-D64 PolarHBondContact O-N 2.98Å; T62-L65 PolarHBondContact O-N 3.14Å; T62-L65 VanDerWaalsContact O-N 3.12Å; T62-A104 WeakPolarHBondContact CG2-O 3.49Å; T62-R107 HydrophobicContact CG2-CB 4.14Å; T62-A108 HydrophobicContact CG2-CB 4.09Å
63	G	88	Confident	83.7	Confident	15 Å²	15	48.8 Å²	48.8	16%	0.155	27%	0.271	C	S	.	.	G	3₁₀ helix	trans	-63.4	-17	176.8	0	0	0	0	0	115.3	D61	D61-G63 PolarHBondContact O-N 3.34Å
64	D	90.1	Very high	84.7	Confident	26 Å²	26	45.9 Å²	45.9	14%	0.139	24%	0.241	C	C	.	.	G	3₁₀ helix	trans	-79.3	-21.1	174.7	-83.9	-56.4	0	0	0	113.6	R57 L59 R60 D61 T62 A75 R76	R57-D64 IonicContact CZ-OD1 3.31Å; R57-D64 IonicContact NH1-OD1 3.15Å; R57-D64 PolarHBondContact NH1-OD1 2.77Å; R57-D64 IonicContact NH2-OD1 3.79Å; R57-D64 PolarHBondContact NH2-OD1 2.81Å; L59-D64 HydrophobicContact CD2-CB 3.71Å; R60-D64 WeakPolarHBondContact CA-OD2 3.4Å; R60-D64 WeakPolarHBondContact CB-OD2 3.39Å; R60-D64 PolarHBondContact N-OD2 3.18Å; D61-D64 PolarHBondContact N-OD2 3.2Å; D61-D64 WeakPolarHBondContact O-CB 3.38Å; D61-D64 PolarHBondContact O-N 2.89Å; T62-D64 PolarHBondContact O-N 2.98Å; D64-A75 CarbonylContact O-C 3.31Å; D64-A75 VanDerWaalsContact O-CA 3.26Å; D64-A75 WeakPolarHBondContact O-CA 3.22Å; D64-R76 PolarHBondContact O-N 3.34Å
65	L	93.4	Very high	85.7	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	126.6	179.3	-69	171.7	0	0	0	110	S23 L24 V43 L59 T62 L101 A104	S23-L65 CarbonylContact C-O 3.54Å; S23-L65 VanDerWaalsContact CA-O 3.28Å; S23-L65 WeakPolarHBondContact CA-O 3.29Å; L24-L65 HydrophobicContact CB-CB 4.07Å; L24-L65 HydrophobicContact CD2-CD1 3.84Å; L24-L65 PolarHBondContact N-O 3.32Å; V43-L65 HydrophobicContact CG1-CD1 4.24Å; L59-L65 HydrophobicContact CD1-CD2 3.83Å; L59-L65 HydrophobicContact CD1-CG 4.42Å; L59-L65 HydrophobicContact CD2-CD2 3.88Å; L59-L65 HydrophobicContact CD2-CG 4.3Å; T62-L65 PolarHBondContact O-N 3.14Å; T62-L65 VanDerWaalsContact O-N 3.12Å; L65-L101 HydrophobicContact CD1-CD1 4.08Å; L65-L101 HydrophobicContact CD2-CD1 3.84Å; L65-A104 HydrophobicContact CD1-CB 3.86Å
66	L	93.6	Very high	86.9	Confident	11 Å²	11	45.5 Å²	45.5	6%	0.058	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	118.1	-178.1	-59.8	-172.6	0	0	0	111	E21 L22 V73 G74 R76	E21-L66 VanDerWaalsContact OE2-CD1 3.22Å; E21-L66 WeakPolarHBondContact OE2-CD1 3.34Å; L22-L66 CarbonylContact O-C 3.54Å; L22-L66 WeakPolarHBondContact O-CA 3.23Å; L66-V73 CarbonylContact O-C 3.53Å; L66-V73 WeakPolarHBondContact O-CA 3.14Å; L66-G74 PolarHBondContact N-O 3.31Å; L66-G74 PolarHBondContact O-N 3.2Å; L66-R76 VanDerWaalsContact CD1-CA 3.49Å; L66-R76 HydrophobicContact CD1-CB 3.8Å; L66-R76 HydrophobicContact CD1-CG 4.35Å; L66-R76 HydrophobicContact CD2-CB 4.32Å; L66-R76 HydrophobicContact CG-CB 4.04Å
67	L	94.6	Very high	87.4	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	134.6	170.6	-71.6	76.2	0	0	0	108.9	E21 L22 L24 V27 V73 L196 F197	E21-L67 CarbonylContact C-O 3.56Å; E21-L67 VanDerWaalsContact CA-O 3.31Å; E21-L67 WeakPolarHBondContact CA-O 3.43Å; L22-L67 PolarHBondContact N-O 2.92Å; L22-L67 PolarHBondContact O-N 3.07Å; L24-L67 HydrophobicContact CB-CD1 3.96Å; L24-L67 HydrophobicContact CD1-CD1 4.21Å; V27-L67 HydrophobicContact CG2-CD2 4.41Å; L67-V73 HydrophobicContact CG-CG2 4.21Å; L67-L196 HydrophobicContact CD2-CD2 3.79Å; L67-L196 HydrophobicContact CD2-CG 4.05Å; L67-F197 HydrophobicContact CB-CD2 4.19Å; L67-F197 WeakPolarHBondContact O-CD2 3.16Å; L67-F197 WeakPolarHBondContact O-CE2 3.35Å
68	R	93.4	Very high	87	Confident	92 Å²	92	55.1 Å²	55.1	35%	0.347	27%	0.273	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110	157	178.9	-57.3	-170.9	177.9	-105.3	-19.1	111.4	E21 D70 G71 S72	E21-R68 HydrophobicContact CG-CG 4.24Å; E21-R68 IonicContact OE1-CZ 2.63Å; E21-R68 IonicContact OE1-NH1 2.69Å; E21-R68 PolarHBondContact OE1-NH1 3.4Å; E21-R68 IonicContact OE1-NH2 3.95Å; E21-R68 PolarHBondContact OE1-NH2 3.43Å; E21-R68 IonicContact OE2-CZ 3.27Å; E21-R68 IonicContact OE2-NH1 3.68Å; E21-R68 IonicContact OE2-NH2 2.89Å; E21-R68 PolarHBondContact OE2-NH2 2.91Å; R68-D70 VanDerWaalsContact CB-OD1 3.3Å; R68-D70 WeakPolarHBondContact CB-OD1 3.45Å; R68-D70 PolarHBondContact O-N 2.8Å; R68-D70 VanDerWaalsContact O-N 3.09Å; R68-G71 PolarHBondContact O-N 3.22Å; R68-S72 WeakPolarHBondContact CD-OG 3.41Å; R68-S72 PolarHBondContact N-O 2.83Å
69	G	88.1	Confident	85.8	Confident	34 Å²	34	56.6 Å²	56.6	35%	0.351	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63	-13.1	179.6	0	0	0	0	0	116.3	G71 F197	G69-G71 VanDerWaalsContact C-N 3.35Å; G69-F197 VanDerWaalsContact CA-CE1 3.42Å
70	D	90.6	Very high	83.8	Confident	83 Å²	83	61.3 Å²	61.3	44%	0.444	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-2.3	171.3	75.7	-30.3	0	0	0	113.3	R68 S72 Q190	R68-D70 VanDerWaalsContact CB-OD1 3.3Å; R68-D70 WeakPolarHBondContact CB-OD1 3.45Å; R68-D70 PolarHBondContact O-N 2.8Å; R68-D70 VanDerWaalsContact O-N 3.09Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.1Å; D70-S72 PolarHBondContact OD1-N 2.98Å; D70-S72 PolarHBondContact OD1-OG 3.46Å; D70-S72 PolarHBondContact OD2-OG 2.84Å; D70-Q190 VanDerWaalsContact O-CG 3.23Å; D70-Q190 WeakPolarHBondContact O-CG 3.45Å; D70-Q190 PolarHBondContact O-NE2 2.9Å
71	G	90.7	Very high	81.6	Confident	0 Å²	0	55.7 Å²	55.7	0%	0	32%	0.324	C	S	.	.	S	Bend	trans	80.7	10.8	-174.9	0	0	0	0	0	114.5	Q46 R68 G69 C193	Q46-G71 PolarHBondContact NE2-O 2.9Å; R68-G71 PolarHBondContact O-N 3.22Å; G69-G71 VanDerWaalsContact C-N 3.35Å; G71-C193 VanDerWaalsContact O-CB 3.31Å; G71-C193 WeakPolarHBondContact O-CB 3.47Å
72	S	93.1	Very high	79.5	Confident	32 Å²	32	60.9 Å²	60.9	22%	0.224	35%	0.346	C	S	.	.			trans	-78.3	150.3	166.7	66	0	0	0	0	111	R68 D70	R68-S72 WeakPolarHBondContact CD-OG 3.41Å; R68-S72 PolarHBondContact N-O 2.83Å; D70-S72 VanDerWaalsContact OD1-CB 3.31Å; D70-S72 WeakPolarHBondContact OD1-CB 3.1Å; D70-S72 PolarHBondContact OD1-N 2.98Å; D70-S72 PolarHBondContact OD1-OG 3.46Å; D70-S72 PolarHBondContact OD2-OG 2.84Å
73	V	94.4	Very high	77.3	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.012	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	126.9	176.3	-178.7	0	0	0	0	108	Q46 G50 L66 L67 C193	Q46-V73 HydrophobicContact CB-CB 3.85Å; Q46-V73 HydrophobicContact CB-CG2 3.68Å; Q46-V73 VanDerWaalsContact O-O 3.13Å; G50-V73 WeakPolarHBondContact CA-O 3.38Å; L66-V73 CarbonylContact O-C 3.53Å; L66-V73 WeakPolarHBondContact O-CA 3.14Å; L67-V73 HydrophobicContact CG-CG2 4.21Å; V73-C193 HydrophobicContact CG2-CB 4.21Å
74	G	90.4	Very high	75	Confident	12 Å²	12	70.3 Å²	70.3	12%	0.124	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	-164.5	179	0	0	0	0	0	111.6	L66	L66-G74 PolarHBondContact N-O 3.31Å; L66-G74 PolarHBondContact O-N 3.2Å
75	A	88.1	Confident	72.6	Confident	20 Å²	20	75.5 Å²	75.5	17%	0.165	44%	0.444	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	149.3	175	0	0	0	0	0	111	L51 L59 D64 E77	L51-A75 HydrophobicContact CD2-CB 3.71Å; L59-A75 HydrophobicContact CD2-CB 4.18Å; D64-A75 CarbonylContact O-C 3.31Å; D64-A75 VanDerWaalsContact O-CA 3.26Å; D64-A75 WeakPolarHBondContact O-CA 3.22Å; A75-E77 PolarHBondContact O-N 3.19Å
76	R	84.4	Confident	70.2	Confident	119 Å²	119	84.6 Å²	84.6	45%	0.449	49%	0.489	S	S	.	.	P	Polyproline II helix	trans	-62.4	132.3	177.6	179.6	173.2	-79.1	-163	-1	111.2	R57 D64 L66	R57-R76 PolarHBondContact NE-O 3Å; R57-R76 PolarHBondContact NH2-O 2.83Å; D64-R76 PolarHBondContact O-N 3.34Å; L66-R76 VanDerWaalsContact CD1-CA 3.49Å; L66-R76 HydrophobicContact CD1-CB 3.8Å; L66-R76 HydrophobicContact CD1-CG 4.35Å; L66-R76 HydrophobicContact CD2-CB 4.32Å; L66-R76 HydrophobicContact CG-CB 4.04Å
77	E	71.6	Confident	67.8	Low	169 Å²	169	89.8 Å²	89.8	79%	0.79	52%	0.521	S	S	*	.	P	Polyproline II helix	trans	-64.9	138.8	172	-63.7	-154.1	148.4	0	0	110.1	A75 E79	A75-E77 PolarHBondContact O-N 3.19Å; E77-E79 PolarHBondContact O-N 3.02Å
78	P	63.6	Low	65.3	Low	112 Å²	112	95.7 Å²	95.7	73%	0.727	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-64.3	119.4	172.8	27.4	-32	0	0	0	108.5	A80	P78-A80 PolarHBondContact O-N 3.19Å
79	E	52.3	Low	63.1	Low	178 Å²	178	96.8 Å²	96.8	83%	0.832	58%	0.576	S	S	*	*	P	Polyproline II helix	trans	-54.2	133.9	167.8	-67.4	-175.2	155.3	0	0	108.6	E77 A81	E77-E79 PolarHBondContact O-N 3.02Å; E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 2.9Å
80	A	41.3	Very low	61.4	Low	104 Å²	104	103 Å²	103	86%	0.86	60%	0.6	S	S	*	*			trans	-67.2	89.9	-177.1	0	0	0	0	0	110	P78 E82	P78-A80 PolarHBondContact O-N 3.19Å; A80-E82 PolarHBondContact O-N 3.36Å
81	A	37.9	Very low	59.8	Low	94 Å²	94	103 Å²	103	78%	0.777	61%	0.612	S	S	*	*			trans	-61.2	135.9	174.6	0	0	0	0	0	110.1	E79	E79-A81 VanDerWaalsContact C-N 3.31Å; E79-A81 PolarHBondContact O-N 2.9Å
82	E	39.5	Very low	58.7	Low	173 Å²	173	103.4 Å²	103.4	81%	0.808	62%	0.615	S	S	*	*			trans	-49.2	150.6	172.9	-73.8	-104.7	121.7	0	0	111.7	A80 A84	A80-E82 PolarHBondContact O-N 3.36Å; E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 2.9Å
83	P	44.8	Very low	58.2	Low	133 Å²	133	104.6 Å²	104.6	86%	0.864	62%	0.623	S	S	*	*	S	Bend	trans	-74.3	77.2	-168	31.6	-37.1	0	0	0	112.8
84	A	39.9	Very low	57.9	Low	81 Å²	81	107.9 Å²	107.9	67%	0.669	64%	0.638	S	S	*	*			trans	-119.4	105.7	176.7	0	0	0	0	0	111.4	E82	E82-A84 VanDerWaalsContact C-N 3.31Å; E82-A84 PolarHBondContact O-N 2.9Å
85	T	38.3	Very low	57.8	Low	135 Å²	135	108.5 Å²	108.5	83%	0.828	64%	0.642	S	S	*	*			trans	74.1	114	173.8	-14.7	0	0	0	0	115.7	V87	T85-V87 PolarHBondContact O-N 3.11Å
86	M	44.1	Very low	57.8	Low	191 Å²	191	111 Å²	111	94%	0.941	65%	0.651	S	S	*	*			trans	-67.3	94	170.2	-78.3	-175.6	158.7	0	0	111.2
87	V	42.8	Very low	58	Low	121 Å²	121	105.4 Å²	105.4	73%	0.733	63%	0.629	S	S	*	*			trans	-118.8	97.3	150.9	-176.9	0	0	0	0	106	T85 P89	T85-V87 PolarHBondContact O-N 3.11Å; V87-P89 VanDerWaalsContact O-CD 3.28Å; V87-P89 WeakPolarHBondContact O-CD 3.43Å
88	V	41.4	Very low	59	Low	125 Å²	125	97.3 Å²	97.3	76%	0.758	59%	0.592	S	S	*	*	P	Polyproline II helix	trans	-58.5	120.2	170	177.5	0	0	0	0	106.6	L90	V88-L90 PolarHBondContact O-N 3.05Å
89	P	48.4	Very low	60.4	Low	114 Å²	114	93.5 Å²	93.5	74%	0.74	56%	0.564	S	S	*	*	P	Polyproline II helix	trans	-60.9	116.6	174	-19.6	32.4	0	0	0	107.6	V87 A91	V87-P89 VanDerWaalsContact O-CD 3.28Å; V87-P89 WeakPolarHBondContact O-CD 3.43Å; P89-A91 PolarHBondContact O-N 3Å
90	L	51	Low	62.2	Low	165 Å²	165	85.4 Å²	85.4	86%	0.864	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-57.4	117.9	173.8	-169.7	72.9	0	0	0	106.9	V88 S92	V88-L90 PolarHBondContact O-N 3.05Å; L90-S92 PolarHBondContact O-N 3Å
91	A	57.4	Low	64.7	Low	83 Å²	83	80.4 Å²	80.4	69%	0.686	49%	0.486	S	S	*	.			trans	-54.4	115.5	-173.9	0	0	0	0	0	109.3	P89 S93	P89-A91 PolarHBondContact O-N 3Å; A91-S93 PolarHBondContact O-N 3.45Å
92	S	67.1	Low	67.4	Low	9 Å²	9	76 Å²	76	6%	0.063	45%	0.449	C	S	.	.			trans	-67.9	135.3	-174.5	65.5	0	0	0	0	109.7	G56 R57 R58 L90 Q96 T97	G56-S92 VanDerWaalsContact CA-O 3.27Å; G56-S92 WeakPolarHBondContact CA-O 3.36Å; G56-S92 PolarHBondContact N-O 3.19Å; G56-S92 PolarHBondContact O-N 2.78Å; G56-S92 PolarHBondContact O-OG 3.05Å; G56-S92 VanDerWaalsContact O-OG 3.05Å; R57-S92 PolarHBondContact N-OG 3.21Å; R58-S92 PolarHBondContact N-OG 3.41Å; L90-S92 PolarHBondContact O-N 3Å; S92-Q96 VanDerWaalsContact CA-OE1 3.32Å; S92-T97 PolarHBondContact OG-OG1 3.14Å
93	S	83.5	Confident	69.9	Low	57 Å²	57	72.3 Å²	72.3	40%	0.399	43%	0.431	S	S	.	.			trans	-59.8	159.7	177.4	65.6	0	0	0	0	111.2	A91 A95 Q96 T97	A91-S93 PolarHBondContact O-N 3.45Å; S93-A95 PolarHBondContact O-N 2.63Å; S93-Q96 PolarHBondContact O-N 2.73Å; S93-Q96 VanDerWaalsContact O-N 3.12Å; S93-Q96 WeakPolarHBondContact OG-CG 3.23Å; S93-Q96 PolarHBondContact OG-N 3.25Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 PolarHBondContact O-OG1 2.79Å
94	E	87.6	Confident	72.3	Confident	71 Å²	71	66 Å²	66	33%	0.332	39%	0.39	S	S	.	.	H	α-helix	trans	-53.6	-43.2	173.4	-167.5	179.6	166.7	0	0	110.1	Q96 T97 V98 R166 T167 F168	E94-Q96 PolarHBondContact O-N 3.26Å; E94-T97 WeakPolarHBondContact O-CA 3.46Å; E94-T97 WeakPolarHBondContact O-CB 3.33Å; E94-T97 PolarHBondContact O-N 3.39Å; E94-T97 VanDerWaalsContact O-N 3.08Å; E94-V98 WeakPolarHBondContact O-CG2 3.26Å; E94-V98 PolarHBondContact O-N 3Å; E94-R166 CarbonylContact C-O 3.59Å; E94-T167 VanDerWaalsContact OE1-CA 3.25Å; E94-T167 WeakPolarHBondContact OE1-CA 3.42Å; E94-T167 WeakPolarHBondContact OE1-CB 3.21Å; E94-F168 HydrophobicContact CG-CD2 3.62Å; E94-F168 HydrophobicContact CG-CE2 3.65Å; E94-F168 HydrophobicContact CG-CG 4.23Å; E94-F168 HydrophobicContact CG-CZ 4.23Å; E94-F168 WeakPolarHBondContact OE1-CD2 3.1Å; E94-F168 PolarHBondContact OE1-N 2.88Å
95	A	88.3	Confident	74.9	Confident	25 Å²	25	62.3 Å²	62.3	21%	0.207	36%	0.359	C	S	.	.	H	α-helix	trans	-57.5	-47.1	175.1	0	0	0	0	0	113.1	S93 T97 V98 Q99 R166	S93-A95 PolarHBondContact O-N 2.63Å; A95-T97 PolarHBondContact O-N 3.17Å; A95-V98 PolarHBondContact O-N 3.34Å; A95-Q99 WeakPolarHBondContact O-CB 3.25Å; A95-Q99 PolarHBondContact O-N 3.32Å; A95-R166 VanDerWaalsContact CA-O 3.25Å; A95-R166 WeakPolarHBondContact CA-O 3.49Å; A95-R166 HydrophobicContact CB-CB 3.95Å; A95-R166 HydrophobicContact CB-CG 4.34Å; A95-R166 PolarHBondContact N-O 3.18Å; A95-R166 VanDerWaalsContact N-O 3.14Å
96	Q	88.3	Confident	77.5	Confident	73 Å²	73	58.7 Å²	58.7	34%	0.341	33%	0.331	S	S	.	.	H	α-helix	trans	-64	-31.3	175.9	-73.8	172.3	3	0	0	112.6	S92 S93 E94 S100	S92-Q96 VanDerWaalsContact CA-OE1 3.32Å; S93-Q96 PolarHBondContact O-N 2.73Å; S93-Q96 VanDerWaalsContact O-N 3.12Å; S93-Q96 WeakPolarHBondContact OG-CG 3.23Å; S93-Q96 PolarHBondContact OG-N 3.25Å; E94-Q96 PolarHBondContact O-N 3.26Å; Q96-S100 WeakPolarHBondContact O-CB 3.25Å; Q96-S100 PolarHBondContact O-N 3.14Å; Q96-S100 PolarHBondContact O-OG 2.96Å
97	T	89.7	Confident	79.8	Confident	0 Å²	0	55.1 Å²	55.1	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-71.4	-47.2	177.4	-49.3	0	0	0	0	110.4	L51 R57 S92 S93 E94 A95 Q99 S100 L101 F168	L51-T97 HydrophobicContact CD1-CG2 4.2Å; R57-T97 WeakPolarHBondContact O-CG2 3.34Å; S92-T97 PolarHBondContact OG-OG1 3.14Å; S93-T97 PolarHBondContact O-N 3.39Å; S93-T97 PolarHBondContact O-OG1 2.79Å; E94-T97 WeakPolarHBondContact O-CA 3.46Å; E94-T97 WeakPolarHBondContact O-CB 3.33Å; E94-T97 PolarHBondContact O-N 3.39Å; E94-T97 VanDerWaalsContact O-N 3.08Å; A95-T97 PolarHBondContact O-N 3.17Å; T97-Q99 VanDerWaalsContact C-N 3.33Å; T97-Q99 PolarHBondContact O-N 2.89Å; T97-S100 PolarHBondContact O-N 3.37Å; T97-S100 PolarHBondContact O-OG 3.49Å; T97-L101 PolarHBondContact O-N 3.37Å; T97-F168 HydrophobicContact CG2-CE1 3.97Å; T97-F168 HydrophobicContact CG2-CZ 3.62Å
98	V	91.9	Very high	82.2	Confident	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-43.4	172.8	171.1	0	0	0	0	111.4	E94 A95 L101 G102 M132 V165 F168	E94-V98 WeakPolarHBondContact O-CG2 3.26Å; E94-V98 PolarHBondContact O-N 3Å; A95-V98 PolarHBondContact O-N 3.34Å; V98-L101 WeakPolarHBondContact O-CB 3.26Å; V98-L101 PolarHBondContact O-N 2.9Å; V98-G102 PolarHBondContact O-N 3.07Å; V98-M132 HydrophobicContact CG1-CB 4.12Å; V98-M132 HydrophobicContact CG1-CE 3.99Å; V98-M132 HydrophobicContact CG1-CG 3.8Å; V98-M132 WeakPolarHBondContact O-CE 3.16Å; V98-V165 HydrophobicContact CG1-CG1 4.03Å; V98-V165 VanDerWaalsContact CG1-O 3.26Å; V98-V165 WeakPolarHBondContact CG1-O 3.23Å; V98-F168 HydrophobicContact CG2-CD1 3.57Å; V98-F168 HydrophobicContact CG2-CE1 3.76Å; V98-F168 HydrophobicContact CG2-CG 4.28Å
99	Q	91.9	Very high	84.6	Confident	31 Å²	31	43.5 Å²	43.5	15%	0.145	24%	0.236	C	C	.	.	H	α-helix	trans	-60.6	-47.2	174.9	-162.7	-162.9	27.6	0	0	112	A95 T97 L101 G102 F103 M132 A133	A95-Q99 WeakPolarHBondContact O-CB 3.25Å; A95-Q99 PolarHBondContact O-N 3.32Å; T97-Q99 VanDerWaalsContact C-N 3.33Å; T97-Q99 PolarHBondContact O-N 2.89Å; Q99-L101 PolarHBondContact O-N 3.2Å; Q99-G102 PolarHBondContact O-N 3.19Å; Q99-F103 HydrophobicContact CG-CD2 4.21Å; Q99-F103 HydrophobicContact CG-CE2 3.65Å; Q99-F103 HydrophobicContact CG-CZ 4.36Å; Q99-F103 VanDerWaalsContact O-CD2 3.24Å; Q99-F103 WeakPolarHBondContact O-CD2 3.28Å; Q99-F103 PolarHBondContact O-N 2.71Å; Q99-F103 VanDerWaalsContact O-N 3.09Å; Q99-M132 WeakPolarHBondContact CA-O 3.43Å; Q99-M132 WeakPolarHBondContact CB-O 3.5Å; Q99-M132 WeakPolarHBondContact CG-O 3.44Å; Q99-A133 WeakPolarHBondContact CG-O 3.49Å; Q99-A133 PolarHBondContact NE2-O 3.28Å
100	S	92	Very high	86.6	Confident	8 Å²	8	40.1 Å²	40.1	6%	0.056	21%	0.212	C	C	.	.	H	α-helix	trans	-64.3	-29.5	177	71.6	0	0	0	0	113.2	L59 Q96 T97 A104	L59-S100 WeakPolarHBondContact CB-OG 3.32Å; L59-S100 PolarHBondContact N-OG 3.05Å; L59-S100 WeakPolarHBondContact O-CB 3.46Å; Q96-S100 WeakPolarHBondContact O-CB 3.25Å; Q96-S100 PolarHBondContact O-N 3.14Å; Q96-S100 PolarHBondContact O-OG 2.96Å; T97-S100 PolarHBondContact O-N 3.37Å; T97-S100 PolarHBondContact O-OG 3.49Å; S100-A104 WeakPolarHBondContact O-CB 3.32Å; S100-A104 PolarHBondContact O-N 3.1Å; S100-A104 VanDerWaalsContact O-N 3.13Å
101	L	93.2	Very high	88.5	Confident	0 Å²	0	35.8 Å²	35.8	0%	0	18%	0.184	C	C	.	.	H	α-helix	trans	-71.2	-43.2	173.3	178.6	63.2	0	0	0	111.3	C48 L51 L59 L65 T97 V98 Q99 F103 A104 I105 M132	C48-L101 WeakPolarHBondContact SG-CD2 3.46Å; L51-L101 HydrophobicContact CD1-CD2 4.24Å; L59-L101 HydrophobicContact CD1-CB 3.74Å; L59-L101 HydrophobicContact CD1-CD1 3.89Å; L59-L101 HydrophobicContact CD1-CG 4.43Å; L65-L101 HydrophobicContact CD1-CD1 4.08Å; L65-L101 HydrophobicContact CD2-CD1 3.84Å; T97-L101 PolarHBondContact O-N 3.37Å; V98-L101 WeakPolarHBondContact O-CB 3.26Å; V98-L101 PolarHBondContact O-N 2.9Å; Q99-L101 PolarHBondContact O-N 3.2Å; L101-F103 PolarHBondContact O-N 3.23Å; L101-A104 PolarHBondContact O-N 2.72Å; L101-I105 HydrophobicContact CD1-CD1 3.97Å; L101-I105 HydrophobicContact CD1-CG1 4.25Å; L101-I105 HydrophobicContact CG-CD1 3.76Å; L101-I105 WeakPolarHBondContact O-CD1 3.22Å; L101-I105 VanDerWaalsContact O-CG1 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 3.18Å; L101-M132 HydrophobicContact CB-CE 4.17Å; L101-M132 HydrophobicContact CD2-CE 4.08Å; L101-M132 HydrophobicContact CG-CE 4.02Å
102	G	93.8	Very high	89.7	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-56.1	-48.7	174.8	0	0	0	0	0	111.9	V98 Q99 A104 I105 Y106	V98-G102 PolarHBondContact O-N 3.07Å; Q99-G102 PolarHBondContact O-N 3.19Å; G102-A104 PolarHBondContact O-N 3.11Å; G102-I105 PolarHBondContact O-N 3.4Å; G102-Y106 PolarHBondContact O-N 3.45Å
103	F	93.3	Very high	90.5	Very high	96 Å²	96	38.3 Å²	38.3	42%	0.421	20%	0.203	S	C	.	.	H	α-helix	trans	-61.7	-40.2	174.9	-69	-53.1	0	0	0	113.4	Q99 L101 Y106 R107 A133	Q99-F103 HydrophobicContact CG-CD2 4.21Å; Q99-F103 HydrophobicContact CG-CE2 3.65Å; Q99-F103 HydrophobicContact CG-CZ 4.36Å; Q99-F103 VanDerWaalsContact O-CD2 3.24Å; Q99-F103 WeakPolarHBondContact O-CD2 3.28Å; Q99-F103 PolarHBondContact O-N 2.71Å; Q99-F103 VanDerWaalsContact O-N 3.09Å; L101-F103 PolarHBondContact O-N 3.23Å; F103-Y106 PolarHBondContact O-N 2.84Å; F103-R107 WeakPolarHBondContact O-CG 3.41Å; F103-R107 PolarHBondContact O-N 3.47Å; F103-A133 HydrophobicContact CD1-CB 4.44Å; F103-A133 HydrophobicContact CE1-CB 3.9Å; F103-A133 HydrophobicContact CZ-CB 4.11Å
104	A	93.9	Very high	90.3	Very high	2 Å²	2	39.4 Å²	39.4	2%	0.017	21%	0.205	C	C	.	.	H	α-helix	trans	-66.7	-36.6	178.1	0	0	0	0	0	112.4	T62 L65 S100 L101 G102 A108	T62-A104 WeakPolarHBondContact CG2-O 3.49Å; L65-A104 HydrophobicContact CD1-CB 3.86Å; S100-A104 WeakPolarHBondContact O-CB 3.32Å; S100-A104 PolarHBondContact O-N 3.1Å; S100-A104 VanDerWaalsContact O-N 3.13Å; L101-A104 PolarHBondContact O-N 2.72Å; G102-A104 PolarHBondContact O-N 3.11Å; A104-A108 PolarHBondContact O-N 3.03Å
105	I	94.6	Very high	89.9	Confident	3 Å²	3	45.4 Å²	45.4	2%	0.015	23%	0.233	C	C	.	.	H	α-helix	trans	-68.4	-44.8	174.7	-65.8	155.5	0	0	0	110.6	A40 V43 C44 L101 G102 R107 A108 L109 I129 M132	A40-I105 HydrophobicContact CB-CG2 3.81Å; V43-I105 HydrophobicContact CG1-CG1 4.45Å; C44-I105 HydrophobicContact CB-CD1 3.53Å; L101-I105 HydrophobicContact CD1-CD1 3.97Å; L101-I105 HydrophobicContact CD1-CG1 4.25Å; L101-I105 HydrophobicContact CG-CD1 3.76Å; L101-I105 WeakPolarHBondContact O-CD1 3.22Å; L101-I105 VanDerWaalsContact O-CG1 3.29Å; L101-I105 WeakPolarHBondContact O-CG1 3.18Å; L101-I105 PolarHBondContact O-N 3.18Å; G102-I105 PolarHBondContact O-N 3.4Å; I105-R107 PolarHBondContact O-N 3.05Å; I105-A108 WeakPolarHBondContact O-CB 3.27Å; I105-A108 PolarHBondContact O-N 3.29Å; I105-A108 VanDerWaalsContact O-N 3.08Å; I105-L109 HydrophobicContact CG2-CD1 4.03Å; I105-L109 PolarHBondContact O-N 3.01Å; I105-I129 HydrophobicContact CG2-CD1 4.35Å; I105-M132 HydrophobicContact CD1-CE 4.37Å
106	Y	93.3	Very high	89.5	Confident	59 Å²	59	47.7 Å²	47.7	23%	0.231	25%	0.247	C	C	.	.	H	α-helix	trans	-57.2	-50.4	176.4	-176.9	-88.1	0	0	0	111.1	G102 F103 A108 L109 D110 I129	G102-Y106 PolarHBondContact O-N 3.45Å; F103-Y106 PolarHBondContact O-N 2.84Å; Y106-A108 PolarHBondContact O-N 3.41Å; Y106-A108 VanDerWaalsContact O-N 3.14Å; Y106-L109 WeakPolarHBondContact O-CA 3.41Å; Y106-L109 WeakPolarHBondContact O-CB 3.33Å; Y106-L109 PolarHBondContact O-N 3.35Å; Y106-D110 HydrophobicContact CD1-CB 4.34Å; Y106-D110 HydrophobicContact CE1-CB 3.91Å; Y106-D110 WeakPolarHBondContact CE1-OD2 3.37Å; Y106-D110 WeakPolarHBondContact O-CB 3.36Å; Y106-D110 PolarHBondContact O-N 3.05Å; Y106-I129 HydrophobicContact CD2-CG2 4.16Å
107	R	92.3	Very high	88.9	Confident	115 Å²	115	47.4 Å²	47.4	43%	0.434	25%	0.246	S	C	.	.	H	α-helix	trans	-58.5	-28.2	175.2	-71	-177.8	-166.4	161.3	7.4	114.2	R60 D61 T62 F103 I105 W111	R60-R107 PolarHBondContact O-NH1 2.97Å; D61-R107 VanDerWaalsContact CG-NH1 3.29Å; D61-R107 VanDerWaalsContact OD1-CD 3.31Å; D61-R107 WeakPolarHBondContact OD1-CD 3.22Å; D61-R107 IonicContact OD1-CZ 3.73Å; D61-R107 IonicContact OD1-NE 2.85Å; D61-R107 IonicContact OD1-NH1 2.66Å; D61-R107 PolarHBondContact OD1-NH1 3.25Å; T62-R107 HydrophobicContact CG2-CB 4.14Å; F103-R107 WeakPolarHBondContact O-CG 3.41Å; F103-R107 PolarHBondContact O-N 3.47Å; I105-R107 PolarHBondContact O-N 3.05Å; R107-W111 PolarHBondContact O-N 2.91Å
108	A	94.1	Very high	88.3	Confident	0 Å²	0	50 Å²	50	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-79.7	-24.9	176.2	0	0	0	0	0	112.9	L24 L28 P34 L35 T62 A104 I105 Y106	L24-A108 HydrophobicContact CD2-CB 3.77Å; L24-A108 HydrophobicContact CG-CB 4.38Å; L28-A108 HydrophobicContact CD1-CB 3.9Å; L28-A108 HydrophobicContact CD2-CB 4.41Å; P34-A108 CarbonylContact C-O 3.59Å; P34-A108 WeakPolarHBondContact CA-O 3.39Å; P34-A108 WeakPolarHBondContact CB-O 3.44Å; L35-A108 HydrophobicContact CD1-CB 3.86Å; L35-A108 HydrophobicContact CG-CB 4.03Å; L35-A108 PolarHBondContact N-O 3.14Å; T62-A108 HydrophobicContact CG2-CB 4.09Å; A104-A108 PolarHBondContact O-N 3.03Å; I105-A108 WeakPolarHBondContact O-CB 3.27Å; I105-A108 PolarHBondContact O-N 3.29Å; I105-A108 VanDerWaalsContact O-N 3.08Å; Y106-A108 PolarHBondContact O-N 3.41Å; Y106-A108 VanDerWaalsContact O-N 3.14Å
109	L	91.5	Very high	87.7	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.01	27%	0.272	C	S	.	.	H	α-helix	trans	-80.9	-31.5	171.3	-73.9	162	0	0	0	112.3	P34 L35 A40 I105 Y106 R119 L121 L125 I129	P34-L109 WeakPolarHBondContact CB-O 3.39Å; L35-L109 HydrophobicContact CB-CD2 4.43Å; A40-L109 HydrophobicContact CB-CD1 3.9Å; A40-L109 HydrophobicContact CB-CD2 3.78Å; A40-L109 HydrophobicContact CB-CG 3.94Å; I105-L109 HydrophobicContact CG2-CD1 4.03Å; I105-L109 PolarHBondContact O-N 3.01Å; Y106-L109 WeakPolarHBondContact O-CA 3.41Å; Y106-L109 WeakPolarHBondContact O-CB 3.33Å; Y106-L109 PolarHBondContact O-N 3.35Å; L109-R119 WeakPolarHBondContact O-CD 3.43Å; L109-R119 PolarHBondContact O-NH1 2.91Å; L109-L121 HydrophobicContact CB-CD2 4.41Å; L109-L121 HydrophobicContact CD1-CD1 4.13Å; L109-L121 HydrophobicContact CD1-CD2 4.09Å; L109-L121 HydrophobicContact CD2-CD2 4.24Å; L109-L121 HydrophobicContact CG-CD2 4.49Å; L109-L125 HydrophobicContact CD1-CD2 3.98Å; L109-L125 HydrophobicContact CD2-CD2 4.45Å; L109-I129 HydrophobicContact CD1-CD1 3.62Å
110	D	90.9	Very high	87.1	Confident	43 Å²	43	55.4 Å²	55.4	23%	0.23	28%	0.28	C	S	.	.	S	Bend	trans	-91.3	2.4	-178.5	-143.8	36.1	0	0	0	112.8	Y106 G112 L113	Y106-D110 HydrophobicContact CD1-CB 4.34Å; Y106-D110 HydrophobicContact CE1-CB 3.91Å; Y106-D110 WeakPolarHBondContact CE1-OD2 3.37Å; Y106-D110 WeakPolarHBondContact O-CB 3.36Å; Y106-D110 PolarHBondContact O-N 3.05Å; D110-G112 PolarHBondContact O-N 2.94Å; D110-L113 PolarHBondContact O-N 3.47Å; D110-L113 WeakPolarHBondContact OD1-CD1 3.47Å
111	W	90.1	Very high	86.7	Confident	74 Å²	74	56.1 Å²	56.1	28%	0.28	28%	0.283	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	118.5	-173.2	179.3	-85.4	0	0	0	112.3	E25 L28 K29 P34 R107	E25-W111 HydrophobicContact CG-CH2 4.33Å; L28-W111 HydrophobicContact CB-CD2 3.8Å; L28-W111 HydrophobicContact CB-CE3 4.27Å; L28-W111 HydrophobicContact CB-CG 4.04Å; L28-W111 HydrophobicContact CB-CZ2 4.24Å; L28-W111 HydrophobicContact CD1-CB 4.35Å; L28-W111 HydrophobicContact CD1-CD2 3.94Å; L28-W111 HydrophobicContact CD1-CE3 3.76Å; L28-W111 HydrophobicContact CD1-CG 4.21Å; L28-W111 HydrophobicContact CD1-CZ3 4.38Å; L28-W111 HydrophobicContact CD2-CB 4.05Å; L28-W111 HydrophobicContact CD2-CG 4.08Å; L28-W111 HydrophobicContact CG-CD2 4.32Å; L28-W111 HydrophobicContact CG-CG 4.34Å; K29-W111 HydrophobicContact CG-CH2 4.2Å; K29-W111 HydrophobicContact CG-CZ2 3.83Å; P34-W111 HydrophobicContact CB-CB 4.04Å; P34-W111 WeakPolarHBondContact CD-O 3.46Å; R107-W111 PolarHBondContact O-N 2.91Å
112	G	83.3	Confident	86.4	Confident	77 Å²	77	57.9 Å²	57.9	79%	0.794	30%	0.296	S	S	*	.	T	Hydrogen-bonded Turn	trans	93.2	0.2	176.8	0	0	0	0	0	115.1	D110	D110-G112 PolarHBondContact O-N 2.94Å
113	L	83.4	Confident	86	Confident	68 Å²	68	62.8 Å²	62.8	36%	0.356	33%	0.327	S	S	.	.			trans	-82	158.4	168.4	-63.7	177.9	0	0	0	111.1	D110 E117 R119	D110-L113 PolarHBondContact O-N 3.47Å; D110-L113 WeakPolarHBondContact OD1-CD1 3.47Å; L113-E117 HydrophobicContact CB-CB 4.37Å; L113-R119 HydrophobicContact CD1-CB 3.85Å
114	D	79.4	Confident	85.8	Confident	81 Å²	81	63.9 Å²	63.9	43%	0.433	33%	0.334	S	S	.	.			trans	-89.2	163.1	174.2	81.8	-132.9	0	0	0	112.8	S116 E117	D114-S116 PolarHBondContact O-N 3.42Å; D114-S116 WeakPolarHBondContact OD2-CA 3.37Å; D114-S116 WeakPolarHBondContact OD2-CB 3.35Å; D114-S116 PolarHBondContact OD2-N 3.11Å; D114-S116 PolarHBondContact OD2-OG 3.38Å; D114-E117 PolarHBondContact O-N 3.07Å; D114-E117 PolarHBondContact OD2-N 3.49Å
115	E	79.8	Confident	85.7	Confident	196 Å²	196	63.8 Å²	63.8	92%	0.916	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-9.4	-174.7	-59.4	-174.5	158.5	0	0	115.1
116	S	77.9	Confident	85.6	Confident	74 Å²	74	68.4 Å²	68.4	52%	0.517	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105	-11.6	176.9	74.3	0	0	0	0	114.3	D114	D114-S116 PolarHBondContact O-N 3.42Å; D114-S116 WeakPolarHBondContact OD2-CA 3.37Å; D114-S116 WeakPolarHBondContact OD2-CB 3.35Å; D114-S116 PolarHBondContact OD2-N 3.11Å; D114-S116 PolarHBondContact OD2-OG 3.38Å
117	E	77.3	Confident	85.5	Confident	66 Å²	66	71.7 Å²	71.7	31%	0.308	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	152.2	171.2	-65.5	-177.2	154.3	0	0	110.1	L113 D114 L409	L113-E117 HydrophobicContact CB-CB 4.37Å; D114-E117 PolarHBondContact O-N 3.07Å; D114-E117 PolarHBondContact OD2-N 3.49Å; E117-L409 HydrophobicContact CG-CD1 4.06Å; E117-L409 WeakPolarHBondContact OE1-CD1 3.43Å
118	E	75.8	Confident	85.6	Confident	54 Å²	54	66.5 Å²	66.5	25%	0.252	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.4	137.4	176.8	-179.5	162.7	-136.3	0	0	108.7	R406	E118-R406 IonicContact OE1-CZ 3.72Å; E118-R406 IonicContact OE1-NH1 2.7Å; E118-R406 PolarHBondContact OE1-NH1 2.72Å; E118-R406 WeakPolarHBondContact OE2-CD 3.37Å; E118-R406 IonicContact OE2-CZ 3.51Å; E118-R406 IonicContact OE2-NE 3.66Å; E118-R406 IonicContact OE2-NH1 2.73Å; E118-R406 PolarHBondContact OE2-NH1 2.94Å
119	R	79.3	Confident	85.5	Confident	77 Å²	77	67 Å²	67	29%	0.291	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124	-174.3	-170.5	170.5	-177.2	177	0.2	112	L35 L109 L113 L121	L35-R119 PolarHBondContact O-NH1 2.76Å; L35-R119 PolarHBondContact O-NH2 2.94Å; L109-R119 WeakPolarHBondContact O-CD 3.43Å; L109-R119 PolarHBondContact O-NH1 2.91Å; L113-R119 HydrophobicContact CD1-CB 3.85Å; R119-L121 HydrophobicContact CG-CD2 4.14Å; R119-L121 PolarHBondContact O-N 3.14Å
120	E	79.2	Confident	85.6	Confident	68 Å²	68	70.7 Å²	70.7	32%	0.318	37%	0.369	S	S	.	.			trans	-61.2	121.5	163.1	-72.9	-175.3	179	0	0	110.3	L408 K410 A411	E120-L408 HydrophobicContact CG-CD1 3.69Å; E120-L408 HydrophobicContact CG-CD2 3.98Å; E120-L408 HydrophobicContact CG-CG 3.61Å; E120-L408 WeakPolarHBondContact OE1-CD2 3.5Å; E120-L408 WeakPolarHBondContact OE1-CG 3.42Å; E120-K410 WeakPolarHBondContact OE2-CA 3.31Å; E120-A411 PolarHBondContact OE2-N 2.93Å
121	L	85.4	Confident	85.7	Confident	24 Å²	24	69.5 Å²	69.5	13%	0.126	36%	0.363	C	S	.	.			trans	-109.5	157.1	173.5	-59.8	-179.3	0	0	0	109.9	L109 R119 L125 E126 I129	L109-L121 HydrophobicContact CB-CD2 4.41Å; L109-L121 HydrophobicContact CD1-CD1 4.13Å; L109-L121 HydrophobicContact CD1-CD2 4.09Å; L109-L121 HydrophobicContact CD2-CD2 4.24Å; L109-L121 HydrophobicContact CG-CD2 4.49Å; R119-L121 HydrophobicContact CG-CD2 4.14Å; R119-L121 PolarHBondContact O-N 3.14Å; L121-L125 HydrophobicContact CD2-CD2 4.37Å; L121-E126 HydrophobicContact CB-CB 4.21Å; L121-I129 HydrophobicContact CD1-CD1 3.88Å
122	S	85.7	Confident	85.9	Confident	37 Å²	37	66.1 Å²	66.1	26%	0.259	35%	0.35	S	S	.	.			trans	-60.6	141.8	170.2	73.6	0	0	0	0	110.8	E37 Q124 L125 E126	E37-S122 WeakPolarHBondContact OE1-CB 3.48Å; E37-S122 PolarHBondContact OE1-N 2.93Å; E37-S122 WeakPolarHBondContact OE2-CB 3.46Å; E37-S122 PolarHBondContact OE2-OG 2.89Å; S122-Q124 PolarHBondContact O-N 3.34Å; S122-L125 PolarHBondContact O-N 3.06Å; S122-E126 PolarHBondContact O-N 3.2Å
123	P	86.3	Confident	86.1	Confident	102 Å²	102	63.2 Å²	63.2	66%	0.662	32%	0.319	S	S	*	.	H	α-helix	trans	-59.5	-16.2	-176.4	-27.7	34.9	0	0	0	115	R127	P123-R127 WeakPolarHBondContact O-CB 3.22Å
124	Q	89.1	Confident	86.2	Confident	119 Å²	119	64.3 Å²	64.3	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-81.3	-36.6	174.4	-60.9	-174.5	19.2	0	0	112.1	W41 S122 L128	W41-Q124 HydrophobicContact CH2-CB 4.32Å; W41-Q124 WeakPolarHBondContact CH2-O 3.27Å; W41-Q124 HydrophobicContact CZ2-CB 4Å; S122-Q124 PolarHBondContact O-N 3.34Å; Q124-L128 PolarHBondContact O-N 2.95Å
125	L	91.3	Very high	85.5	Confident	1 Å²	1	65.1 Å²	65.1	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-79.6	-45	-179	178.9	58.3	0	0	0	111.1	E37 A40 W41 L109 L121 S122 R127 L128 I129	E37-L125 HydrophobicContact CB-CD2 3.77Å; E37-L125 HydrophobicContact CG-CD2 3.55Å; A40-L125 HydrophobicContact CB-CD2 4.42Å; W41-L125 HydrophobicContact CD2-CD1 4.04Å; W41-L125 HydrophobicContact CG-CD1 4.41Å; W41-L125 VanDerWaalsContact CZ2-CA 3.41Å; W41-L125 HydrophobicContact CZ2-CB 3.66Å; W41-L125 HydrophobicContact CZ2-CD1 4.05Å; W41-L125 HydrophobicContact CZ2-CG 4.44Å; L109-L125 HydrophobicContact CD1-CD2 3.98Å; L109-L125 HydrophobicContact CD2-CD2 4.45Å; L121-L125 HydrophobicContact CD2-CD2 4.37Å; S122-L125 PolarHBondContact O-N 3.06Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-R127 PolarHBondContact O-N 2.97Å; L125-L128 PolarHBondContact O-N 3.37Å; L125-L128 VanDerWaalsContact O-N 3.12Å; L125-I129 HydrophobicContact CD1-CD1 4Å; L125-I129 HydrophobicContact CD1-CG1 4.28Å; L125-I129 HydrophobicContact CG-CD1 4.01Å; L125-I129 WeakPolarHBondContact O-CG1 3.29Å; L125-I129 PolarHBondContact O-N 3.32Å
126	E	91.9	Very high	84.5	Confident	100 Å²	100	58.5 Å²	58.5	47%	0.467	30%	0.3	S	S	.	.	H	α-helix	trans	-50.4	-55.6	171.3	-173.5	-178.2	-158.2	0	0	110.1	L121 S122 L128 I129 D130	L121-E126 HydrophobicContact CB-CB 4.21Å; S122-E126 PolarHBondContact O-N 3.2Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 3.33Å; E126-I129 PolarHBondContact O-N 3.47Å; E126-D130 PolarHBondContact O-N 2.93Å
127	R	91.4	Very high	83.2	Confident	128 Å²	128	59 Å²	59	48%	0.483	30%	0.304	S	S	.	.	H	α-helix	trans	-56.8	-38.5	176.6	-170.3	-167.4	-152.3	-171.6	18.9	113.7	P123 L125 L131	P123-R127 WeakPolarHBondContact O-CB 3.22Å; L125-R127 VanDerWaalsContact C-N 3.34Å; L125-R127 PolarHBondContact O-N 2.97Å; R127-L131 HydrophobicContact CG-CD1 4.08Å; R127-L131 HydrophobicContact CG-CG 4.44Å; R127-L131 VanDerWaalsContact O-CB 3.31Å; R127-L131 WeakPolarHBondContact O-CB 3.35Å; R127-L131 WeakPolarHBondContact O-CG 3.42Å; R127-L131 PolarHBondContact O-N 3.42Å
128	L	94.1	Very high	81.9	Confident	5 Å²	5	64.2 Å²	64.2	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-64.7	-46.8	175.5	172.3	63.8	0	0	0	110.6	W41 Q124 L125 E126 L131 M132 L174 C175	W41-L128 HydrophobicContact CE3-CD2 3.74Å; W41-L128 HydrophobicContact CH2-CB 4.08Å; W41-L128 HydrophobicContact CH2-CD2 4.02Å; W41-L128 HydrophobicContact CZ3-CB 4.24Å; W41-L128 HydrophobicContact CZ3-CD2 3.34Å; W41-L128 HydrophobicContact CZ3-CG 4.36Å; Q124-L128 PolarHBondContact O-N 2.95Å; L125-L128 PolarHBondContact O-N 3.37Å; L125-L128 VanDerWaalsContact O-N 3.12Å; E126-L128 VanDerWaalsContact C-N 3.32Å; E126-L128 PolarHBondContact O-N 3.33Å; L128-L131 PolarHBondContact O-N 3.3Å; L128-M132 HydrophobicContact CD1-CG 4.04Å; L128-M132 HydrophobicContact CD1-SD 3.67Å; L128-M132 HydrophobicContact CD2-SD 4.27Å; L128-M132 HydrophobicContact CG-CG 4.49Å; L128-M132 HydrophobicContact CG-SD 3.76Å; L128-M132 WeakPolarHBondContact O-CB 3.41Å; L128-M132 VanDerWaalsContact O-CG 3.3Å; L128-M132 WeakPolarHBondContact O-CG 3.48Å; L128-M132 PolarHBondContact O-N 3.14Å; L128-L174 HydrophobicContact CD1-CB 4.01Å; L128-L174 HydrophobicContact CD1-CD1 3.7Å; L128-C175 VanDerWaalsContact CD2-SG 3.6Å
129	I	93.6	Very high	80.4	Confident	10 Å²	10	68.4 Å²	68.4	5%	0.051	35%	0.353	C	S	.	.	H	α-helix	trans	-63.4	-45.6	-178.3	-68.3	170.4	0	0	0	110	I105 Y106 L109 L121 L125 E126 L131 M132 A133	I105-I129 HydrophobicContact CG2-CD1 4.35Å; Y106-I129 HydrophobicContact CD2-CG2 4.16Å; L109-I129 HydrophobicContact CD1-CD1 3.62Å; L121-I129 HydrophobicContact CD1-CD1 3.88Å; L125-I129 HydrophobicContact CD1-CD1 4Å; L125-I129 HydrophobicContact CD1-CG1 4.28Å; L125-I129 HydrophobicContact CG-CD1 4.01Å; L125-I129 WeakPolarHBondContact O-CG1 3.29Å; L125-I129 PolarHBondContact O-N 3.32Å; E126-I129 PolarHBondContact O-N 3.47Å; I129-L131 PolarHBondContact O-N 3.16Å; I129-M132 PolarHBondContact O-N 2.84Å; I129-A133 VanDerWaalsContact O-CB 3.23Å; I129-A133 WeakPolarHBondContact O-CB 3.32Å; I129-A133 PolarHBondContact O-N 3.43Å
130	D	93.3	Very high	78.6	Confident	80 Å²	80	69.7 Å²	69.7	43%	0.428	37%	0.373	S	S	.	.	H	α-helix	trans	-56.7	-50.9	174.4	-74.7	-18.6	0	0	0	111.9	E126 M132 A133 N134	E126-D130 PolarHBondContact O-N 2.93Å; D130-M132 PolarHBondContact O-N 2.9Å; D130-A133 PolarHBondContact O-N 2.93Å; D130-A133 VanDerWaalsContact O-N 3.15Å; D130-N134 VanDerWaalsContact O-CB 3.31Å; D130-N134 WeakPolarHBondContact O-CB 3.34Å; D130-N134 PolarHBondContact O-N 3.24Å; D130-N134 PolarHBondContact O-ND2 2.9Å; D130-N134 VanDerWaalsContact O-ND2 3.14Å
131	L	93.1	Very high	76.8	Confident	18 Å²	18	70.2 Å²	70.2	9%	0.094	40%	0.398	C	S	.	.	H	α-helix	trans	-63.6	-28.5	-180	-71.2	176.1	0	0	0	112.7	R127 L128 I129 P162 R163 V165 L174	R127-L131 HydrophobicContact CG-CD1 4.08Å; R127-L131 HydrophobicContact CG-CG 4.44Å; R127-L131 VanDerWaalsContact O-CB 3.31Å; R127-L131 WeakPolarHBondContact O-CB 3.35Å; R127-L131 WeakPolarHBondContact O-CG 3.42Å; R127-L131 PolarHBondContact O-N 3.42Å; L128-L131 PolarHBondContact O-N 3.3Å; I129-L131 PolarHBondContact O-N 3.16Å; L131-P162 WeakPolarHBondContact CD2-O 3.5Å; L131-R163 VanDerWaalsContact CD2-O 3.23Å; L131-R163 WeakPolarHBondContact CD2-O 3.34Å; L131-V165 HydrophobicContact CB-CB 4.18Å; L131-V165 HydrophobicContact CB-CG2 3.65Å; L131-V165 HydrophobicContact CD1-CG2 4.29Å; L131-V165 PolarHBondContact O-N 2.81Å; L131-L174 HydrophobicContact CD1-CD1 4.35Å
132	M	92.9	Very high	74.8	Confident	3 Å²	3	75 Å²	75	2%	0.015	43%	0.431	C	S	.	.	H	α-helix	trans	-78.9	-39.3	172.6	-71.3	173.2	64.2	0	0	112.1	C44 V98 Q99 L101 I105 L128 I129 D130 V165 A171	C44-M132 VanDerWaalsContact SG-SD 3.69Å; V98-M132 HydrophobicContact CG1-CB 4.12Å; V98-M132 HydrophobicContact CG1-CE 3.99Å; V98-M132 HydrophobicContact CG1-CG 3.8Å; V98-M132 WeakPolarHBondContact O-CE 3.16Å; Q99-M132 WeakPolarHBondContact CA-O 3.43Å; Q99-M132 WeakPolarHBondContact CB-O 3.5Å; Q99-M132 WeakPolarHBondContact CG-O 3.44Å; L101-M132 HydrophobicContact CB-CE 4.17Å; L101-M132 HydrophobicContact CD2-CE 4.08Å; L101-M132 HydrophobicContact CG-CE 4.02Å; I105-M132 HydrophobicContact CD1-CE 4.37Å; L128-M132 HydrophobicContact CD1-CG 4.04Å; L128-M132 HydrophobicContact CD1-SD 3.67Å; L128-M132 HydrophobicContact CD2-SD 4.27Å; L128-M132 HydrophobicContact CG-CG 4.49Å; L128-M132 HydrophobicContact CG-SD 3.76Å; L128-M132 WeakPolarHBondContact O-CB 3.41Å; L128-M132 VanDerWaalsContact O-CG 3.3Å; L128-M132 WeakPolarHBondContact O-CG 3.48Å; L128-M132 PolarHBondContact O-N 3.14Å; I129-M132 PolarHBondContact O-N 2.84Å; D130-M132 PolarHBondContact O-N 2.9Å; M132-V165 HydrophobicContact CG-CB 4.06Å; M132-V165 HydrophobicContact CG-CG1 3.8Å; M132-A171 HydrophobicContact SD-CB 4.27Å
133	A	89	Confident	72.7	Confident	17 Å²	17	77 Å²	77	14%	0.14	46%	0.458	C	S	.	.	H	α-helix	trans	-76.8	-28	-176	0	0	0	0	0	113.4	Q99 F103 I129 D130 N135	Q99-A133 WeakPolarHBondContact CG-O 3.49Å; Q99-A133 PolarHBondContact NE2-O 3.28Å; F103-A133 HydrophobicContact CD1-CB 4.44Å; F103-A133 HydrophobicContact CE1-CB 3.9Å; F103-A133 HydrophobicContact CZ-CB 4.11Å; I129-A133 VanDerWaalsContact O-CB 3.23Å; I129-A133 WeakPolarHBondContact O-CB 3.32Å; I129-A133 PolarHBondContact O-N 3.43Å; D130-A133 PolarHBondContact O-N 2.93Å; D130-A133 VanDerWaalsContact O-N 3.15Å; A133-N135 PolarHBondContact O-N 3.34Å
134	N	85.7	Confident	70.5	Confident	90 Å²	90	76.9 Å²	76.9	48%	0.481	47%	0.465	S	S	.	.			trans	-73.5	123	179.5	-73.6	-29.2	0	0	0	112.1	D130	D130-N134 VanDerWaalsContact O-CB 3.31Å; D130-N134 WeakPolarHBondContact O-CB 3.34Å; D130-N134 PolarHBondContact O-N 3.24Å; D130-N134 PolarHBondContact O-ND2 2.9Å; D130-N134 VanDerWaalsContact O-ND2 3.14Å
135	N	64.8	Low	68.5	Low	99 Å²	99	76 Å²	76	53%	0.529	48%	0.479	S	S	.	.			trans	-106.4	91.9	174.8	179.5	53	0	0	0	109.8	A133 S137	A133-N135 PolarHBondContact O-N 3.34Å; N135-S137 VanDerWaalsContact C-N 3.27Å; N135-S137 PolarHBondContact O-N 2.67Å
136	D	57.8	Low	66.5	Low	56 Å²	56	82.7 Å²	82.7	30%	0.299	51%	0.514	S	S	.	.			trans	-65.2	81.1	172.2	-67.2	-25.6	0	0	0	110.8	E138 S164 R166	D136-E138 PolarHBondContact O-N 3.27Å; D136-S164 WeakPolarHBondContact OD2-CB 3.38Å; D136-S164 PolarHBondContact OD2-OG 3.47Å; D136-R166 PolarHBondContact O-NH2 2.82Å; D136-R166 IonicContact OD2-NH2 3.82Å
137	S	50.7	Low	64.9	Low	86 Å²	86	86.6 Å²	86.6	60%	0.601	53%	0.533	S	S	*	.			trans	-80	36.8	174.2	57.9	0	0	0	0	113.4	N135	N135-S137 VanDerWaalsContact C-N 3.27Å; N135-S137 PolarHBondContact O-N 2.67Å
138	E	48.9	Very low	62.8	Low	175 Å²	175	84.1 Å²	84.1	82%	0.818	55%	0.547	S	S	*	.			trans	-104.9	42.4	-179.6	-59.9	-63.9	123.3	0	0	111	D136	D136-E138 PolarHBondContact O-N 3.27Å
139	D	45.7	Very low	60.3	Low	141 Å²	141	94.8 Å²	94.8	75%	0.754	59%	0.589	S	S	*	*			trans	-126.5	43	175.3	-159.9	14.6	0	0	0	110.9
140	S	40.6	Very low	58.2	Low	104 Å²	104	97.9 Å²	97.9	73%	0.727	62%	0.623	S	S	*	*			trans	-120.4	57.2	171.1	-173.1	0	0	0	0	109.8	C142	S140-C142 PolarHBondContact O-N 3.08Å
141	G	42.6	Very low	55.7	Low	80 Å²	80	97 Å²	97	83%	0.825	63%	0.633	S	S	*	*			trans	-67.4	86.5	174.6	0	0	0	0	0	112.6
142	C	41.8	Very low	53.4	Low	124 Å²	124	102.5 Å²	102.5	84%	0.838	67%	0.67	S	S	*	*			trans	-107	95.2	159.4	-79.7	0	0	0	0	107.9	S140	S140-C142 PolarHBondContact O-N 3.08Å
143	G	42.8	Very low	51	Low	79 Å²	79	111.2 Å²	111.2	81%	0.814	71%	0.71	S	S	*	*			trans	-89.3	169	-172.5	0	0	0	0	0	115.1
144	A	40.1	Very low	48.7	Very low	99 Å²	99	119 Å²	119	82%	0.818	74%	0.744	S	S	*	*			trans	-164.6	117.9	152.9	0	0	0	0	0	111
145	A	47.5	Very low	46.8	Very low	101 Å²	101	123.8 Å²	123.8	84%	0.835	76%	0.763	S	S	*	*			trans	61.4	154.3	171.2	0	0	0	0	0	116.4
146	D	48.2	Very low	45.6	Very low	141 Å²	141	127.1 Å²	127.1	75%	0.754	78%	0.776	S	S	*	*			cis	-150.6	161.6	19.6	-154.5	4.2	0	0	0	113.4
147	E	59	Low	44.8	Very low	182 Å²	182	133.8 Å²	133.8	85%	0.85	81%	0.805	S	S	*	*			trans	-10.5	136.3	176.3	-70.1	171.2	-175.4	0	0	121.8
148	G	46.2	Very low	44.2	Very low	77 Å²	77	133.4 Å²	133.4	79%	0.794	81%	0.807	S	S	*	*			trans	167.7	75.1	159.4	0	0	0	0	0	120
149	Y	41.5	Very low	43.9	Very low	229 Å²	229	134.7 Å²	134.7	90%	0.898	81%	0.813	S	S	*	*			trans	46.9	110.3	152	-155.3	-96.8	0	0	0	120.3
150	G	51.2	Low	43.8	Very low	75 Å²	75	130.7 Å²	130.7	77%	0.773	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-76.3	127.7	172.1	0	0	0	0	0	113.9
151	G	39.3	Very low	44.6	Very low	62 Å²	62	129.6 Å²	129.6	64%	0.639	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-103.2	156.4	162.6	0	0	0	0	0	111
152	P	45	Very low	45.6	Very low	133 Å²	133	128.4 Å²	128.4	86%	0.864	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-65.6	150.1	-174	-19.8	33	0	0	0	113.6	E154	P152-E154 PolarHBondContact O-N 2.99Å
153	E	43.5	Very low	47	Very low	185 Å²	185	132.9 Å²	132.9	86%	0.864	77%	0.771	S	S	*	*			trans	-64	114	177.1	-63.4	157.8	158.8	0	0	110.9
154	E	40.1	Very low	49	Very low	182 Å²	182	129.6 Å²	129.6	85%	0.85	74%	0.735	S	S	*	*			trans	-97.8	102.1	152.7	-75.1	-172.6	158.4	0	0	107.6	P152 E156	P152-E154 PolarHBondContact O-N 2.99Å; E154-E156 PolarHBondContact O-N 2.89Å
155	E	45.6	Very low	51.3	Low	189 Å²	189	125 Å²	125	88%	0.883	70%	0.698	S	S	*	*			trans	-70	70.9	167.2	-68.3	-174.5	138.5	0	0	109.9	E157	E155-E157 PolarHBondContact O-N 2.63Å
156	E	38.9	Very low	53.3	Low	169 Å²	169	125.1 Å²	125.1	79%	0.79	68%	0.676	S	S	*	*			trans	-76	105.1	154.3	-80.4	-156	139.4	0	0	108.4	E154 A158	E154-E156 PolarHBondContact O-N 2.89Å; E156-A158 PolarHBondContact O-N 3.49Å
157	E	41.3	Very low	55.3	Low	196 Å²	196	120.2 Å²	120.2	92%	0.916	65%	0.652	S	S	*	*			trans	-63.6	73.1	154.7	-74.7	-165.2	137.5	0	0	109	E155 E159	E155-E157 PolarHBondContact O-N 2.63Å; E157-E159 PolarHBondContact O-N 2.82Å
158	A	37.5	Very low	56.9	Low	78 Å²	78	111.7 Å²	111.7	65%	0.645	61%	0.612	S	S	*	*			trans	-60.1	127.1	167.8	0	0	0	0	0	108.1	E156 G160	E156-A158 PolarHBondContact O-N 3.49Å; A158-G160 PolarHBondContact O-N 2.87Å
159	E	43.8	Very low	59.1	Low	203 Å²	203	109.8 Å²	109.8	95%	0.949	59%	0.588	S	S	*	*			trans	-66.8	69	168.3	-72.4	-158.7	138.1	0	0	110.1	E157 V161	E157-E159 PolarHBondContact O-N 2.82Å; E159-V161 PolarHBondContact O-N 3.35Å
160	G	44.4	Very low	61.6	Low	57 Å²	57	101.3 Å²	101.3	59%	0.588	56%	0.557	S	S	*	*	P	Polyproline II helix	trans	-67.6	126.1	179.2	0	0	0	0	0	110.1	A158	A158-G160 PolarHBondContact O-N 2.87Å
161	V	55.8	Low	63.6	Low	80 Å²	80	97.7 Å²	97.7	49%	0.485	52%	0.52	S	S	.	.	P	Polyproline II helix	trans	-48.3	126.6	165.3	175.3	0	0	0	0	108.7	E159 R163	E159-V161 PolarHBondContact O-N 3.35Å; V161-R163 PolarHBondContact O-N 2.68Å
162	P	63.1	Low	66.3	Low	56 Å²	56	95.6 Å²	95.6	36%	0.364	49%	0.494	S	S	.	.	P	Polyproline II helix	trans	-55.4	128	176.7	-24.8	33.6	0	0	0	110.4	L131 S164	L131-P162 WeakPolarHBondContact CD2-O 3.5Å; P162-S164 VanDerWaalsContact C-N 3.35Å
163	R	71.9	Confident	68.7	Low	218 Å²	218	97.3 Å²	97.3	82%	0.823	48%	0.483	S	S	*	.	S	Bend	trans	-70.5	-31.2	179	-67	-178.8	-179.4	158.7	1.2	112.7	L131 V161	L131-R163 VanDerWaalsContact CD2-O 3.23Å; L131-R163 WeakPolarHBondContact CD2-O 3.34Å; V161-R163 PolarHBondContact O-N 2.68Å
164	S	84.5	Confident	71.1	Confident	9 Å²	9	91 Å²	91	6%	0.063	46%	0.455	C	S	.	.			trans	-149.6	156.3	170.8	47.3	0	0	0	0	111.2	D136 P162 R166	D136-S164 WeakPolarHBondContact OD2-CB 3.38Å; D136-S164 PolarHBondContact OD2-OG 3.47Å; P162-S164 VanDerWaalsContact C-N 3.35Å; S164-R166 PolarHBondContact OG-NE 3.16Å; S164-R166 VanDerWaalsContact OG-NE 3.09Å
165	V	89.8	Confident	73.7	Confident	4 Å²	4	82.4 Å²	82.4	2%	0.024	42%	0.415	C	S	.	.			trans	-104	97	177.1	169.1	0	0	0	0	107.6	V98 L131 M132 Q170 A171 L174	V98-V165 HydrophobicContact CG1-CG1 4.03Å; V98-V165 VanDerWaalsContact CG1-O 3.26Å; V98-V165 WeakPolarHBondContact CG1-O 3.23Å; L131-V165 HydrophobicContact CB-CB 4.18Å; L131-V165 HydrophobicContact CB-CG2 3.65Å; L131-V165 HydrophobicContact CD1-CG2 4.29Å; L131-V165 PolarHBondContact O-N 2.81Å; M132-V165 HydrophobicContact CG-CB 4.06Å; M132-V165 HydrophobicContact CG-CG1 3.8Å; V165-Q170 HydrophobicContact CB-CB 4.48Å; V165-Q170 HydrophobicContact CG1-CB 3.89Å; V165-Q170 HydrophobicContact CG2-CB 4.38Å; V165-A171 HydrophobicContact CG1-CB 3.75Å; V165-L174 HydrophobicContact CG2-CD1 3.47Å; V165-L174 VanDerWaalsContact CG2-CD1 3.47Å
166	R	87.8	Confident	76	Confident	102 Å²	102	74 Å²	74	39%	0.385	38%	0.378	S	S	.	.			trans	-98.8	-6.3	-172.9	-60.2	-171.7	-171	-173.5	3.5	113.9	E94 A95 D136 S164	E94-R166 CarbonylContact C-O 3.59Å; A95-R166 VanDerWaalsContact CA-O 3.25Å; A95-R166 WeakPolarHBondContact CA-O 3.49Å; A95-R166 HydrophobicContact CB-CB 3.95Å; A95-R166 HydrophobicContact CB-CG 4.34Å; A95-R166 PolarHBondContact N-O 3.18Å; A95-R166 VanDerWaalsContact N-O 3.14Å; D136-R166 PolarHBondContact O-NH2 2.82Å; D136-R166 IonicContact OD2-NH2 3.82Å; S164-R166 PolarHBondContact OG-NE 3.16Å; S164-R166 VanDerWaalsContact OG-NE 3.09Å
167	T	91.1	Very high	78.5	Confident	39 Å²	39	69.4 Å²	69.4	24%	0.239	37%	0.368	C	S	.	.	S	Bend	trans	-134.5	148.7	-175.7	61.9	0	0	0	0	112.4	E94 A169 Q170 A171	E94-T167 VanDerWaalsContact OE1-CA 3.25Å; E94-T167 WeakPolarHBondContact OE1-CA 3.42Å; E94-T167 WeakPolarHBondContact OE1-CB 3.21Å; T167-A169 PolarHBondContact O-N 2.81Å; T167-A169 VanDerWaalsContact O-N 3.16Å; T167-Q170 PolarHBondContact O-N 3.19Å; T167-Q170 WeakPolarHBondContact OG1-CB 3.34Å; T167-Q170 VanDerWaalsContact OG1-CD 3.26Å; T167-Q170 VanDerWaalsContact OG1-CG 3.28Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.31Å; T167-Q170 PolarHBondContact OG1-N 2.96Å; T167-Q170 VanDerWaalsContact OG1-N 3.12Å; T167-Q170 PolarHBondContact OG1-OE1 3.07Å; T167-A171 PolarHBondContact O-N 2.87Å; T167-A171 VanDerWaalsContact O-N 3.13Å
168	F	92.8	Very high	80.8	Confident	3 Å²	3	63.2 Å²	63.2	1%	0.013	34%	0.337	C	S	.	.	H	α-helix	trans	-57.2	-27.8	170.4	-58.2	-54.4	0	0	0	111.6	C48 L51 R52 E94 T97 V98 M172	C48-F168 HydrophobicContact CB-CB 4.04Å; C48-F168 HydrophobicContact CB-CD1 3.96Å; C48-F168 HydrophobicContact CB-CG 4.4Å; L51-F168 HydrophobicContact CB-CD1 4.5Å; L51-F168 HydrophobicContact CB-CE1 3.69Å; L51-F168 HydrophobicContact CB-CE2 4.2Å; L51-F168 HydrophobicContact CB-CZ 3.5Å; L51-F168 HydrophobicContact CD1-CE1 4.13Å; R52-F168 HydrophobicContact CB-CD2 4.47Å; R52-F168 HydrophobicContact CG-CB 3.88Å; R52-F168 HydrophobicContact CG-CD2 3.59Å; R52-F168 HydrophobicContact CG-CE2 4.42Å; R52-F168 HydrophobicContact CG-CG 4.02Å; E94-F168 HydrophobicContact CG-CD2 3.62Å; E94-F168 HydrophobicContact CG-CE2 3.65Å; E94-F168 HydrophobicContact CG-CG 4.23Å; E94-F168 HydrophobicContact CG-CZ 4.23Å; E94-F168 WeakPolarHBondContact OE1-CD2 3.1Å; E94-F168 PolarHBondContact OE1-N 2.88Å; T97-F168 HydrophobicContact CG2-CE1 3.97Å; T97-F168 HydrophobicContact CG2-CZ 3.62Å; V98-F168 HydrophobicContact CG2-CD1 3.57Å; V98-F168 HydrophobicContact CG2-CE1 3.76Å; V98-F168 HydrophobicContact CG2-CG 4.28Å; F168-M172 WeakPolarHBondContact O-CB 3.38Å; F168-M172 WeakPolarHBondContact O-CG 3.38Å; F168-M172 PolarHBondContact O-N 2.94Å; F168-M172 VanDerWaalsContact O-N 3.08Å
169	A	93	Very high	83.1	Confident	36 Å²	36	60.5 Å²	60.5	30%	0.298	31%	0.311	S	S	.	.	H	α-helix	trans	-69.6	-37	174.5	0	0	0	0	0	113.7	R52 T167 R173	R52-A169 VanDerWaalsContact NH2-CB 3.29Å; T167-A169 PolarHBondContact O-N 2.81Å; T167-A169 VanDerWaalsContact O-N 3.16Å; A169-R173 WeakPolarHBondContact O-CB 3.38Å; A169-R173 VanDerWaalsContact O-CG 3.29Å; A169-R173 WeakPolarHBondContact O-CG 3.35Å; A169-R173 PolarHBondContact O-N 3.01Å; A169-R173 PolarHBondContact O-NE 3Å
170	Q	93.4	Very high	85.2	Confident	51 Å²	51	57 Å²	57	24%	0.238	30%	0.304	C	S	.	.	H	α-helix	trans	-71.3	-47.8	174.6	-75.4	158.4	-37.4	0	0	110.7	V165 T167 M172 R173 L174	V165-Q170 HydrophobicContact CB-CB 4.48Å; V165-Q170 HydrophobicContact CG1-CB 3.89Å; V165-Q170 HydrophobicContact CG2-CB 4.38Å; T167-Q170 PolarHBondContact O-N 3.19Å; T167-Q170 WeakPolarHBondContact OG1-CB 3.34Å; T167-Q170 VanDerWaalsContact OG1-CD 3.26Å; T167-Q170 VanDerWaalsContact OG1-CG 3.28Å; T167-Q170 WeakPolarHBondContact OG1-CG 3.31Å; T167-Q170 PolarHBondContact OG1-N 2.96Å; T167-Q170 VanDerWaalsContact OG1-N 3.12Å; T167-Q170 PolarHBondContact OG1-OE1 3.07Å; Q170-M172 PolarHBondContact O-N 3.07Å; Q170-R173 PolarHBondContact O-N 3.07Å; Q170-R173 VanDerWaalsContact O-N 3.15Å; Q170-L174 PolarHBondContact O-N 3.22Å
171	A	94	Very high	87.2	Confident	0 Å²	0	58.6 Å²	58.6	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-57	-52.2	178.4	0	0	0	0	0	111.9	C48 M132 V165 T167 R173 L174 C175	C48-A171 VanDerWaalsContact SG-CB 3.52Å; M132-A171 HydrophobicContact SD-CB 4.27Å; V165-A171 HydrophobicContact CG1-CB 3.75Å; T167-A171 PolarHBondContact O-N 2.87Å; T167-A171 VanDerWaalsContact O-N 3.13Å; A171-R173 VanDerWaalsContact C-N 3.29Å; A171-R173 PolarHBondContact O-N 3.28Å; A171-L174 PolarHBondContact O-N 3.07Å; A171-C175 PolarHBondContact O-N 3.07Å; A171-C175 PolarHBondContact O-SG 3.36Å
172	M	95.5	Very high	88.8	Confident	18 Å²	18	58 Å²	58	9%	0.089	30%	0.297	C	S	.	.	H	α-helix	trans	-63.7	-30	177.6	-72.7	-166.9	-58.5	0	0	113.8	F45 C48 R49 R52 F168 Q170 A176	F45-M172 HydrophobicContact CD1-SD 4.41Å; F45-M172 HydrophobicContact CD2-CB 3.8Å; F45-M172 HydrophobicContact CD2-CG 3.76Å; F45-M172 HydrophobicContact CD2-SD 4.31Å; F45-M172 HydrophobicContact CE1-SD 4.24Å; F45-M172 HydrophobicContact CE2-CB 3.79Å; F45-M172 HydrophobicContact CE2-CG 4Å; F45-M172 HydrophobicContact CE2-SD 4.16Å; F45-M172 HydrophobicContact CG-CG 4.14Å; F45-M172 HydrophobicContact CG-SD 4.44Å; F45-M172 HydrophobicContact CZ-SD 4.12Å; C48-M172 HydrophobicContact CB-CG 3.63Å; C48-M172 HydrophobicContact CB-SD 4.21Å; R49-M172 HydrophobicContact CB-SD 3.82Å; R49-M172 HydrophobicContact CG-SD 4.46Å; R52-M172 VanDerWaalsContact NE-CE 3.35Å; R52-M172 VanDerWaalsContact NH2-CE 3.34Å; F168-M172 WeakPolarHBondContact O-CB 3.38Å; F168-M172 WeakPolarHBondContact O-CG 3.38Å; F168-M172 PolarHBondContact O-N 2.94Å; F168-M172 VanDerWaalsContact O-N 3.08Å; Q170-M172 PolarHBondContact O-N 3.07Å; M172-A176 VanDerWaalsContact O-CB 3.3Å; M172-A176 WeakPolarHBondContact O-CB 3.4Å; M172-A176 PolarHBondContact O-N 3.25Å
173	R	94.4	Very high	90	Very high	169 Å²	169	66.5 Å²	66.5	64%	0.638	32%	0.322	S	S	*	.	H	α-helix	trans	-66.3	-43.8	173.6	-84.9	-171.2	-65.7	164.2	-2.7	111.5	A169 Q170 A171 A176 A177	A169-R173 WeakPolarHBondContact O-CB 3.38Å; A169-R173 VanDerWaalsContact O-CG 3.29Å; A169-R173 WeakPolarHBondContact O-CG 3.35Å; A169-R173 PolarHBondContact O-N 3.01Å; A169-R173 PolarHBondContact O-NE 3Å; Q170-R173 PolarHBondContact O-N 3.07Å; Q170-R173 VanDerWaalsContact O-N 3.15Å; A171-R173 VanDerWaalsContact C-N 3.29Å; A171-R173 PolarHBondContact O-N 3.28Å; R173-A176 PolarHBondContact O-N 3.45Å; R173-A177 VanDerWaalsContact O-CB 3.3Å; R173-A177 WeakPolarHBondContact O-CB 3.41Å; R173-A177 PolarHBondContact O-N 3.06Å
174	L	93.9	Very high	90.8	Very high	53 Å²	53	57.4 Å²	57.4	28%	0.277	30%	0.295	S	S	.	.	H	α-helix	trans	-64.1	-44.9	175.9	-67	173.7	0	0	0	111.3	L128 L131 V165 Q170 A171 A176 A177	L128-L174 HydrophobicContact CD1-CB 4.01Å; L128-L174 HydrophobicContact CD1-CD1 3.7Å; L131-L174 HydrophobicContact CD1-CD1 4.35Å; V165-L174 HydrophobicContact CG2-CD1 3.47Å; V165-L174 VanDerWaalsContact CG2-CD1 3.47Å; Q170-L174 PolarHBondContact O-N 3.22Å; A171-L174 PolarHBondContact O-N 3.07Å; L174-A176 VanDerWaalsContact C-N 3.26Å; L174-A176 PolarHBondContact O-N 3.06Å; L174-A177 PolarHBondContact O-N 3.2Å
175	C	94.5	Very high	91.1	Very high	0 Å²	0	57 Å²	57	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-59.8	-33.6	173.4	-62.9	0	0	0	0	113.2	W41 F45 L128 A171 Y189	W41-C175 HydrophobicContact CE3-CB 4.07Å; W41-C175 HydrophobicContact CZ3-CB 4.39Å; F45-C175 HydrophobicContact CB-CB 4.06Å; F45-C175 HydrophobicContact CD2-CB 3.86Å; F45-C175 HydrophobicContact CG-CB 4.46Å; L128-C175 VanDerWaalsContact CD2-SG 3.6Å; A171-C175 PolarHBondContact O-N 3.07Å; A171-C175 PolarHBondContact O-SG 3.36Å; C175-Y189 HydrophobicContact CB-CE2 4.03Å; C175-Y189 WeakPolarHBondContact O-CE2 3.33Å; C175-Y189 PolarHBondContact O-OH 2.95Å
176	A	93.7	Very high	91.3	Very high	13 Å²	13	60.5 Å²	60.5	11%	0.107	31%	0.309	C	S	.	.	H	α-helix	trans	-78.3	-35.7	176.5	0	0	0	0	0	112.5	M172 R173 L174 R178 L179 P182 A185	M172-A176 VanDerWaalsContact O-CB 3.3Å; M172-A176 WeakPolarHBondContact O-CB 3.4Å; M172-A176 PolarHBondContact O-N 3.25Å; R173-A176 PolarHBondContact O-N 3.45Å; L174-A176 VanDerWaalsContact C-N 3.26Å; L174-A176 PolarHBondContact O-N 3.06Å; A176-R178 VanDerWaalsContact C-N 3.3Å; A176-R178 PolarHBondContact O-N 3Å; A176-L179 PolarHBondContact O-N 3.49Å; A176-L179 VanDerWaalsContact O-N 3.14Å; A176-P182 HydrophobicContact CB-CB 4.11Å; A176-P182 WeakPolarHBondContact O-CA 3.31Å; A176-P182 WeakPolarHBondContact O-CB 3.44Å; A176-A185 HydrophobicContact CB-CB 3.72Å
177	A	92.1	Very high	91.4	Very high	72 Å²	72	59 Å²	59	60%	0.595	32%	0.318	S	S	*	.	H	α-helix	trans	-66.2	-25.2	-174	0	0	0	0	0	114.4	R173 L174 L179	R173-A177 VanDerWaalsContact O-CB 3.3Å; R173-A177 WeakPolarHBondContact O-CB 3.41Å; R173-A177 PolarHBondContact O-N 3.06Å; L174-A177 PolarHBondContact O-N 3.2Å; A177-L179 VanDerWaalsContact C-N 3.3Å
178	R	89.3	Confident	91.3	Very high	67 Å²	67	57.8 Å²	57.8	25%	0.253	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-15.6	174.6	71.8	165.6	-168.7	115.2	18.5	114.3	E38 W41 A176 Y189	E38-R178 IonicContact OE1-CZ 3.62Å; E38-R178 IonicContact OE1-NH2 3.72Å; E38-R178 PolarHBondContact OE1-NH2 3.18Å; E38-R178 IonicContact OE2-CZ 2.7Å; E38-R178 VanDerWaalsContact OE2-CZ 3.25Å; E38-R178 IonicContact OE2-NH1 2.7Å; E38-R178 PolarHBondContact OE2-NH1 2.69Å; E38-R178 IonicContact OE2-NH2 2.76Å; E38-R178 PolarHBondContact OE2-NH2 2.75Å; W41-R178 VanDerWaalsContact CE2-CD 3.44Å; W41-R178 VanDerWaalsContact CG-NE 3.25Å; A176-R178 VanDerWaalsContact C-N 3.3Å; A176-R178 PolarHBondContact O-N 3Å; R178-Y189 PolarHBondContact NE-OH 2.95Å; R178-Y189 VanDerWaalsContact NH2-CE1 3.29Å; R178-Y189 PolarHBondContact NH2-OH 3.36Å
179	L	86.7	Confident	91.4	Very high	21 Å²	21	57.7 Å²	57.7	11%	0.11	31%	0.309	C	S	.	.	S	Bend	trans	-86.6	144.5	-178.7	-60	179.6	0	0	0	110.4	A176 A177 D181 P182 A185 H188 Y189	A176-L179 PolarHBondContact O-N 3.49Å; A176-L179 VanDerWaalsContact O-N 3.14Å; A177-L179 VanDerWaalsContact C-N 3.3Å; L179-D181 PolarHBondContact O-N 2.86Å; L179-P182 WeakPolarHBondContact O-CD 3.48Å; L179-A185 HydrophobicContact CD1-CB 3.78Å; L179-H188 HydrophobicContact CD1-CB 4.48Å; L179-Y189 HydrophobicContact CD1-CE2 3.91Å
180	T	87.7	Confident	91.4	Very high	129 Å²	129	58.6 Å²	58.6	79%	0.791	31%	0.307	S	S	*	.	S	Bend	trans	-59	-31.3	178	-42.2	0	0	0	0	113	L270	T180-L270 WeakPolarHBondContact OG1-CD1 3.45Å
181	D	85.4	Confident	91.2	Very high	90 Å²	90	56.4 Å²	56.4	48%	0.481	30%	0.298	S	S	.	.	S	Bend	trans	-122	101.7	164.5	176.1	20.9	0	0	0	110.4	L179 R183 G184	L179-D181 PolarHBondContact O-N 2.86Å; D181-R183 PolarHBondContact O-N 3.27Å; D181-R183 VanDerWaalsContact O-N 3.15Å; D181-R183 VanDerWaalsContact OD1-CB 3.26Å; D181-R183 WeakPolarHBondContact OD1-CB 3.34Å; D181-R183 PolarHBondContact OD1-N 2.99Å; D181-G184 PolarHBondContact O-N 3.18Å; D181-G184 VanDerWaalsContact O-N 3.1Å; D181-G184 PolarHBondContact OD2-N 3.01Å
182	P	90.4	Very high	91	Very high	68 Å²	68	56.5 Å²	56.5	44%	0.442	30%	0.298	S	S	.	.	G	3₁₀ helix	trans	-60.1	-21.1	175.7	-26.6	36.1	0	0	0	114.2	A176 L179 A185	A176-P182 HydrophobicContact CB-CB 4.11Å; A176-P182 WeakPolarHBondContact O-CA 3.31Å; A176-P182 WeakPolarHBondContact O-CB 3.44Å; L179-P182 WeakPolarHBondContact O-CD 3.48Å; P182-A185 VanDerWaalsContact O-CB 3.29Å; P182-A185 WeakPolarHBondContact O-CB 3.32Å; P182-A185 PolarHBondContact O-N 3.24Å
183	R	88.8	Confident	90.9	Very high	235 Å²	235	55.7 Å²	55.7	89%	0.887	29%	0.294	S	S	*	.	G	3₁₀ helix	trans	-74.5	-30.2	177.4	-56.9	179.3	176.3	-172.2	-0.7	111.7	D181 A185	D181-R183 PolarHBondContact O-N 3.27Å; D181-R183 VanDerWaalsContact O-N 3.15Å; D181-R183 VanDerWaalsContact OD1-CB 3.26Å; D181-R183 WeakPolarHBondContact OD1-CB 3.34Å; D181-R183 PolarHBondContact OD1-N 2.99Å; R183-A185 PolarHBondContact O-N 3.4Å
184	G	88.3	Confident	90.8	Very high	26 Å²	26	51 Å²	51	27%	0.268	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-70.4	-13.6	174.6	0	0	0	0	0	114.6	D181 Q186 A187 H188	D181-G184 PolarHBondContact O-N 3.18Å; D181-G184 VanDerWaalsContact O-N 3.1Å; D181-G184 PolarHBondContact OD2-N 3.01Å; G184-Q186 VanDerWaalsContact C-N 3.33Å; G184-Q186 PolarHBondContact O-N 3.18Å; G184-Q186 VanDerWaalsContact O-N 3.16Å; G184-A187 PolarHBondContact O-N 3.02Å; G184-H188 WeakPolarHBondContact O-CB 3.19Å; G184-H188 PolarHBondContact O-N 2.79Å
185	A	91.2	Very high	90.5	Very high	2 Å²	2	48.7 Å²	48.7	2%	0.017	27%	0.265	C	S	.	.	H	α-helix	trans	-50.1	-45.3	-171.2	0	0	0	0	0	114.3	F45 A176 L179 P182 R183 H188 Y189	F45-A185 HydrophobicContact CE2-CB 3.93Å; F45-A185 HydrophobicContact CZ-CB 4.18Å; A176-A185 HydrophobicContact CB-CB 3.72Å; L179-A185 HydrophobicContact CD1-CB 3.78Å; P182-A185 VanDerWaalsContact O-CB 3.29Å; P182-A185 WeakPolarHBondContact O-CB 3.32Å; P182-A185 PolarHBondContact O-N 3.24Å; R183-A185 PolarHBondContact O-N 3.4Å; A185-H188 PolarHBondContact O-N 3.06Å; A185-Y189 HydrophobicContact CB-CD2 4.14Å; A185-Y189 HydrophobicContact CB-CE2 4.06Å; A185-Y189 WeakPolarHBondContact O-CB 3.42Å; A185-Y189 WeakPolarHBondContact O-CD2 3.28Å; A185-Y189 PolarHBondContact O-N 3.19Å
186	Q	93.1	Very high	90.2	Very high	77 Å²	77	48.9 Å²	48.9	36%	0.36	27%	0.266	S	S	.	.	H	α-helix	trans	-62.3	-48.2	179.4	-177.9	-171.5	-37.9	0	0	112.2	F45 R49 G184 H188 Q190	F45-Q186 HydrophobicContact CE1-CB 4.04Å; F45-Q186 HydrophobicContact CE1-CG 4.4Å; F45-Q186 HydrophobicContact CZ-CB 4.19Å; R49-Q186 VanDerWaalsContact NH2-OE1 3.1Å; G184-Q186 VanDerWaalsContact C-N 3.33Å; G184-Q186 PolarHBondContact O-N 3.18Å; G184-Q186 VanDerWaalsContact O-N 3.16Å; Q186-H188 VanDerWaalsContact C-N 3.34Å; Q186-Q190 WeakPolarHBondContact O-CB 3.2Å; Q186-Q190 PolarHBondContact O-N 3.44Å
187	A	90.3	Very high	90.2	Very high	69 Å²	69	48.7 Å²	48.7	57%	0.57	26%	0.263	S	S	*	.	H	α-helix	trans	-67.2	-39.5	-177.7	0	0	0	0	0	111.1	G184 A191	G184-A187 PolarHBondContact O-N 3.02Å; A187-A191 VanDerWaalsContact O-CB 3.32Å; A187-A191 WeakPolarHBondContact O-CB 3.45Å; A187-A191 PolarHBondContact O-N 2.66Å
188	H	88.8	Confident	90	Very high	15 Å²	15	47.3 Å²	47.3	7%	0.069	25%	0.247	C	C	.	.	H	α-helix	trans	-62	-56.5	175.7	178.2	66.2	0	0	0	112.2	E38 L179 G184 A185 Q186 Q190 A191 V192 P271	E38-H188 IonicContact OE1-CD2 3.96Å; E38-H188 IonicContact OE1-CE1 2.75Å; E38-H188 IonicContact OE1-NE2 2.78Å; E38-H188 PolarHBondContact OE1-NE2 3.35Å; L179-H188 HydrophobicContact CD1-CB 4.48Å; G184-H188 WeakPolarHBondContact O-CB 3.19Å; G184-H188 PolarHBondContact O-N 2.79Å; A185-H188 PolarHBondContact O-N 3.06Å; Q186-H188 VanDerWaalsContact C-N 3.34Å; H188-Q190 VanDerWaalsContact C-N 3.34Å; H188-Q190 PolarHBondContact O-N 3.33Å; H188-A191 WeakPolarHBondContact O-CA 3.24Å; H188-A191 VanDerWaalsContact O-CB 3.29Å; H188-A191 WeakPolarHBondContact O-CB 3.26Å; H188-A191 PolarHBondContact O-N 3.06Å; H188-V192 WeakPolarHBondContact O-CG2 3.09Å; H188-V192 PolarHBondContact O-N 3.06Å; H188-P271 WeakPolarHBondContact ND1-CB 3.44Å
189	Y	94.8	Very high	89.9	Confident	0 Å²	0	45 Å²	45	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-67.5	-33	-178	-67.2	-49	0	0	0	113.4	W41 A42 F45 C175 R178 L179 A185 A191 V192 C193	W41-Y189 HydrophobicContact CB-CE1 3.74Å; A42-Y189 HydrophobicContact CB-CD1 3.62Å; A42-Y189 HydrophobicContact CB-CE1 4.45Å; A42-Y189 HydrophobicContact CB-CG 4.29Å; F45-Y189 HydrophobicContact CB-CD2 3.46Å; F45-Y189 VanDerWaalsContact CB-CD2 3.46Å; F45-Y189 HydrophobicContact CB-CE2 3.94Å; F45-Y189 HydrophobicContact CB-CG 3.91Å; F45-Y189 AromaticContact CD1-CD2 3.73Å; F45-Y189 HydrophobicContact CD1-CD2 3.73Å; F45-Y189 HydrophobicContact CD1-CG 4.27Å; F45-Y189 AromaticContact CD2-CD2 3.65Å; F45-Y189 HydrophobicContact CD2-CD2 3.65Å; F45-Y189 AromaticContact CD2-CE2 3.88Å; F45-Y189 HydrophobicContact CD2-CE2 3.88Å; F45-Y189 HydrophobicContact CE1-CD2 4.38Å; F45-Y189 HydrophobicContact CE2-CD2 4.3Å; F45-Y189 AromaticContact CG-CD2 3.33Å; F45-Y189 HydrophobicContact CG-CD2 3.33Å; F45-Y189 AromaticContact CG-CE2 3.95Å; F45-Y189 HydrophobicContact CG-CE2 3.95Å; F45-Y189 HydrophobicContact CG-CG 4.1Å; C175-Y189 HydrophobicContact CB-CE2 4.03Å; C175-Y189 WeakPolarHBondContact O-CE2 3.33Å; C175-Y189 PolarHBondContact O-OH 2.95Å; R178-Y189 PolarHBondContact NE-OH 2.95Å; R178-Y189 VanDerWaalsContact NH2-CE1 3.29Å; R178-Y189 PolarHBondContact NH2-OH 3.36Å; L179-Y189 HydrophobicContact CD1-CE2 3.91Å; A185-Y189 HydrophobicContact CB-CD2 4.14Å; A185-Y189 HydrophobicContact CB-CE2 4.06Å; A185-Y189 WeakPolarHBondContact O-CB 3.42Å; A185-Y189 WeakPolarHBondContact O-CD2 3.28Å; A185-Y189 PolarHBondContact O-N 3.19Å; Y189-A191 VanDerWaalsContact C-N 3.29Å; Y189-A191 PolarHBondContact O-N 3.02Å; Y189-V192 PolarHBondContact O-N 2.81Å; Y189-C193 PolarHBondContact O-N 2.93Å
190	Q	94	Very high	90	Very high	56 Å²	56	44 Å²	44	26%	0.262	23%	0.234	S	C	.	.	H	α-helix	trans	-63.7	-35.1	169.4	-173.1	172.9	6.2	0	0	112.1	D70 Q186 H188 R194	D70-Q190 VanDerWaalsContact O-CG 3.23Å; D70-Q190 WeakPolarHBondContact O-CG 3.45Å; D70-Q190 PolarHBondContact O-NE2 2.9Å; Q186-Q190 WeakPolarHBondContact O-CB 3.2Å; Q186-Q190 PolarHBondContact O-N 3.44Å; H188-Q190 VanDerWaalsContact C-N 3.34Å; H188-Q190 PolarHBondContact O-N 3.33Å; Q190-R194 VanDerWaalsContact O-CB 3.24Å; Q190-R194 WeakPolarHBondContact O-CB 3.48Å; Q190-R194 PolarHBondContact O-N 3.27Å
191	A	87.5	Confident	90.1	Very high	4 Å²	4	39.3 Å²	39.3	3%	0.033	20%	0.203	C	C	.	.	H	α-helix	trans	-68	-46.7	174.5	0	0	0	0	0	111.9	A187 H188 Y189 C193 R194 A195 F274	A187-A191 VanDerWaalsContact O-CB 3.32Å; A187-A191 WeakPolarHBondContact O-CB 3.45Å; A187-A191 PolarHBondContact O-N 2.66Å; H188-A191 WeakPolarHBondContact O-CA 3.24Å; H188-A191 VanDerWaalsContact O-CB 3.29Å; H188-A191 WeakPolarHBondContact O-CB 3.26Å; H188-A191 PolarHBondContact O-N 3.06Å; Y189-A191 VanDerWaalsContact C-N 3.29Å; Y189-A191 PolarHBondContact O-N 3.02Å; A191-C193 PolarHBondContact O-N 2.94Å; A191-R194 PolarHBondContact O-N 2.92Å; A191-A195 WeakPolarHBondContact O-CB 3.43Å; A191-A195 PolarHBondContact O-N 3.11Å; A191-F274 CarbonylContact C-O 3.56Å; A191-F274 HydrophobicContact CB-CB 4.22Å; A191-F274 WeakPolarHBondContact CB-O 3.29Å
192	V	89.9	Confident	90.1	Very high	2 Å²	2	37.5 Å²	37.5	1%	0.012	19%	0.192	C	C	.	.	H	α-helix	trans	-57.4	-50.1	175.5	179.1	0	0	0	0	111.5	E38 Q39 A42 H188 Y189 R194 A195 L196 F274	E38-V192 HydrophobicContact CG-CG2 4.29Å; Q39-V192 HydrophobicContact CG-CG1 4.18Å; A42-V192 HydrophobicContact CB-CB 3.62Å; A42-V192 HydrophobicContact CB-CG1 3.51Å; A42-V192 HydrophobicContact CB-CG2 4.42Å; H188-V192 WeakPolarHBondContact O-CG2 3.09Å; H188-V192 PolarHBondContact O-N 3.06Å; Y189-V192 PolarHBondContact O-N 2.81Å; V192-R194 PolarHBondContact O-N 2.82Å; V192-A195 PolarHBondContact O-N 2.75Å; V192-L196 WeakPolarHBondContact O-CB 3.4Å; V192-L196 PolarHBondContact O-N 3.11Å; V192-F274 HydrophobicContact CB-CB 4.48Å; V192-F274 HydrophobicContact CB-CD1 4.47Å; V192-F274 HydrophobicContact CB-CG 4.33Å; V192-F274 HydrophobicContact CG1-CD1 4.42Å; V192-F274 HydrophobicContact CG2-CB 3.92Å; V192-F274 HydrophobicContact CG2-CD1 4.16Å; V192-F274 HydrophobicContact CG2-CD2 3.74Å; V192-F274 HydrophobicContact CG2-CE2 4.33Å; V192-F274 HydrophobicContact CG2-CG 3.65Å
193	C	94.6	Very high	89.8	Confident	1 Å²	1	34.2 Å²	34.2	1%	0.007	17%	0.171	C	C	.	.	H	α-helix	trans	-65.7	-36.3	179	-70.7	0	0	0	0	113.1	G71 V73 Y189 A191 F197	G71-C193 VanDerWaalsContact O-CB 3.31Å; G71-C193 WeakPolarHBondContact O-CB 3.47Å; V73-C193 HydrophobicContact CG2-CB 4.21Å; Y189-C193 PolarHBondContact O-N 2.93Å; A191-C193 PolarHBondContact O-N 2.94Å; C193-F197 WeakPolarHBondContact O-CB 3.37Å; C193-F197 PolarHBondContact O-N 3.4Å
194	R	92.3	Very high	89.7	Confident	72 Å²	72	27.5 Å²	27.5	27%	0.272	15%	0.145	S	C	.	.	H	α-helix	trans	-66	-45.7	174.7	-178.2	179.9	68.1	-96.4	-1.7	111.4	Q190 A191 V192 F197 V198 Q275	Q190-R194 VanDerWaalsContact O-CB 3.24Å; Q190-R194 WeakPolarHBondContact O-CB 3.48Å; Q190-R194 PolarHBondContact O-N 3.27Å; A191-R194 PolarHBondContact O-N 2.92Å; V192-R194 PolarHBondContact O-N 2.82Å; R194-F197 PolarHBondContact O-N 2.83Å; R194-V198 HydrophobicContact CG-CG2 4.43Å; R194-V198 WeakPolarHBondContact O-CG2 3.43Å; R194-V198 PolarHBondContact O-N 3.37Å; R194-Q275 PolarHBondContact NH2-O 3.45Å
195	A	86.9	Confident	89.5	Confident	3 Å²	3	28.1 Å²	28.1	3%	0.025	15%	0.148	C	C	.	.	H	α-helix	trans	-59	-49	177.7	0	0	0	0	0	110.7	A191 V192 F197 V198 E199 F274	A191-A195 WeakPolarHBondContact O-CB 3.43Å; A191-A195 PolarHBondContact O-N 3.11Å; V192-A195 PolarHBondContact O-N 2.75Å; A195-F197 VanDerWaalsContact C-N 3.34Å; A195-F197 PolarHBondContact O-N 3.14Å; A195-V198 PolarHBondContact O-N 3.13Å; A195-E199 WeakPolarHBondContact O-CB 3.25Å; A195-E199 WeakPolarHBondContact O-CG 3.29Å; A195-E199 PolarHBondContact O-N 2.69Å; A195-F274 HydrophobicContact CB-CB 4.45Å; A195-F274 HydrophobicContact CB-CD1 4.26Å
196	L	89.6	Confident	89.1	Confident	4 Å²	4	30.7 Å²	30.7	2%	0.021	16%	0.159	C	C	.	.	H	α-helix	trans	-56.2	-44.9	176.3	179.3	56.2	0	0	0	112.5	V27 Y31 L35 Q39 L67 V192 T200	V27-L196 HydrophobicContact CG1-CD1 3.67Å; V27-L196 HydrophobicContact CG1-CD2 4.29Å; V27-L196 HydrophobicContact CG1-CG 4.04Å; Y31-L196 HydrophobicContact CE2-CD1 4.32Å; L35-L196 HydrophobicContact CD2-CD2 4.03Å; Q39-L196 HydrophobicContact CB-CD2 4.28Å; Q39-L196 HydrophobicContact CG-CD2 4.11Å; L67-L196 HydrophobicContact CD2-CD2 3.79Å; L67-L196 HydrophobicContact CD2-CG 4.05Å; V192-L196 WeakPolarHBondContact O-CB 3.4Å; V192-L196 PolarHBondContact O-N 3.11Å; L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 PolarHBondContact O-N 3.19Å; L196-T200 PolarHBondContact O-OG1 3.23Å
197	F	92.7	Very high	88.5	Confident	10 Å²	10	27.9 Å²	27.9	4%	0.044	15%	0.146	C	C	.	.	H	α-helix	trans	-60.9	-50.1	176.7	178	-83.2	0	0	0	112.1	P19 L22 L67 G69 C193 R194 A195 T200 L201	P19-F197 WeakPolarHBondContact O-CZ 3.33Å; L22-F197 HydrophobicContact CB-CD2 4.14Å; L22-F197 HydrophobicContact CB-CE2 4.11Å; L22-F197 HydrophobicContact CD1-CD2 3.72Å; L22-F197 HydrophobicContact CD1-CE2 3.89Å; L22-F197 HydrophobicContact CD1-CG 4.24Å; L22-F197 HydrophobicContact CG-CD2 3.91Å; L22-F197 HydrophobicContact CG-CE2 3.65Å; L22-F197 HydrophobicContact CG-CZ 4.4Å; L67-F197 HydrophobicContact CB-CD2 4.19Å; L67-F197 WeakPolarHBondContact O-CD2 3.16Å; L67-F197 WeakPolarHBondContact O-CE2 3.35Å; G69-F197 VanDerWaalsContact CA-CE1 3.42Å; C193-F197 WeakPolarHBondContact O-CB 3.37Å; C193-F197 PolarHBondContact O-N 3.4Å; R194-F197 PolarHBondContact O-N 2.83Å; A195-F197 VanDerWaalsContact C-N 3.34Å; A195-F197 PolarHBondContact O-N 3.14Å; F197-T200 WeakPolarHBondContact O-CB 3.15Å; F197-T200 PolarHBondContact O-N 2.91Å; F197-L201 HydrophobicContact CD1-CD1 4.13Å; F197-L201 HydrophobicContact CE1-CD1 3.43Å; F197-L201 VanDerWaalsContact CE1-CD1 3.43Å; F197-L201 HydrophobicContact CE1-CG 4.15Å; F197-L201 HydrophobicContact CZ-CD1 3.91Å; F197-L201 PolarHBondContact O-N 2.94Å; F197-L201 VanDerWaalsContact O-N 3.14Å
198	V	89	Confident	88.1	Confident	43 Å²	43	26.5 Å²	26.5	26%	0.261	14%	0.135	S	C	.	.	H	α-helix	trans	-67.6	-44	-176.8	178.7	0	0	0	0	111.2	R194 A195 T200 L201 E202 T277	R194-V198 HydrophobicContact CG-CG2 4.43Å; R194-V198 WeakPolarHBondContact O-CG2 3.43Å; R194-V198 PolarHBondContact O-N 3.37Å; A195-V198 PolarHBondContact O-N 3.13Å; V198-T200 VanDerWaalsContact C-N 3.27Å; V198-T200 PolarHBondContact O-N 3.42Å; V198-L201 PolarHBondContact O-N 3.37Å; V198-L201 VanDerWaalsContact O-N 3.11Å; V198-E202 HydrophobicContact CG1-CG 4.4Å; V198-E202 WeakPolarHBondContact O-CG 3.49Å; V198-E202 PolarHBondContact O-N 2.95Å; V198-T277 HydrophobicContact CB-CG2 4.11Å; V198-T277 HydrophobicContact CG1-CG2 3.72Å
199	E	86.3	Confident	87.7	Confident	19 Å²	19	34.5 Å²	34.5	9%	0.089	16%	0.164	C	C	.	.	H	α-helix	trans	-64	-32.4	177.4	-68.5	-175.7	134	0	0	112.2	Y31 A195 E202 L203 M250 R254	Y31-E199 VanDerWaalsContact OH-CB 3.25Å; Y31-E199 WeakPolarHBondContact OH-CB 3.46Å; Y31-E199 PolarHBondContact OH-O 3.41Å; A195-E199 WeakPolarHBondContact O-CB 3.25Å; A195-E199 WeakPolarHBondContact O-CG 3.29Å; A195-E199 PolarHBondContact O-N 2.69Å; E199-E202 PolarHBondContact O-N 3.27Å; E199-L203 WeakPolarHBondContact O-CB 3.33Å; E199-L203 PolarHBondContact O-N 3.11Å; E199-M250 HydrophobicContact CG-CE 4.03Å; E199-R254 IonicContact OE1-CZ 3Å; E199-R254 VanDerWaalsContact OE1-CZ 3.31Å; E199-R254 IonicContact OE1-NE 3.98Å; E199-R254 PolarHBondContact OE1-NE 2.89Å; E199-R254 VanDerWaalsContact OE1-NE 3.15Å; E199-R254 IonicContact OE1-NH2 3.23Å; E199-R254 PolarHBondContact OE1-NH2 3.03Å; E199-R254 IonicContact OE2-CZ 3.03Å; E199-R254 IonicContact OE2-NH2 2.65Å; E199-R254 PolarHBondContact OE2-NH2 3.38Å
200	T	89.5	Confident	87	Confident	0 Å²	0	35.5 Å²	35.5	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-64.3	-43.2	171.9	-56.5	0	0	0	0	111.5	L22 V27 A30 L196 F197 V198 L203 R204	L22-T200 HydrophobicContact CD1-CG2 3.79Å; V27-T200 HydrophobicContact CG2-CG2 4.16Å; A30-T200 HydrophobicContact CB-CG2 3.88Å; L196-T200 WeakPolarHBondContact O-CB 3.19Å; L196-T200 PolarHBondContact O-N 3.19Å; L196-T200 PolarHBondContact O-OG1 3.23Å; F197-T200 WeakPolarHBondContact O-CB 3.15Å; F197-T200 PolarHBondContact O-N 2.91Å; V198-T200 VanDerWaalsContact C-N 3.27Å; V198-T200 PolarHBondContact O-N 3.42Å; T200-L203 PolarHBondContact O-N 2.98Å; T200-R204 HydrophobicContact CG2-CG 4.49Å; T200-R204 VanDerWaalsContact O-CG 3.3Å; T200-R204 WeakPolarHBondContact O-CG 3.11Å; T200-R204 PolarHBondContact O-N 3.09Å
201	L	88.6	Confident	86.3	Confident	29 Å²	29	38.6 Å²	38.6	15%	0.152	18%	0.18	C	C	.	.	H	α-helix	trans	-65.9	-43.3	176.6	-67.4	-174.2	0	0	0	111.7	L22 F197 V198 L203 R204 A205	L22-L201 HydrophobicContact CD1-CD2 3.89Å; L22-L201 HydrophobicContact CD1-CG 4.18Å; L22-L201 HydrophobicContact CD2-CD2 4Å; L22-L201 HydrophobicContact CG-CD2 4.25Å; F197-L201 HydrophobicContact CD1-CD1 4.13Å; F197-L201 HydrophobicContact CE1-CD1 3.43Å; F197-L201 VanDerWaalsContact CE1-CD1 3.43Å; F197-L201 HydrophobicContact CE1-CG 4.15Å; F197-L201 HydrophobicContact CZ-CD1 3.91Å; F197-L201 PolarHBondContact O-N 2.94Å; F197-L201 VanDerWaalsContact O-N 3.14Å; V198-L201 PolarHBondContact O-N 3.37Å; V198-L201 VanDerWaalsContact O-N 3.11Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 3.49Å; L201-R204 PolarHBondContact O-N 2.91Å; L201-A205 WeakPolarHBondContact O-CB 3.22Å; L201-A205 PolarHBondContact O-N 2.89Å
202	E	85.2	Confident	85.9	Confident	52 Å²	52	44.4 Å²	44.4	24%	0.243	21%	0.206	C	C	.	.	H	α-helix	trans	-59.4	-43.6	175.2	-69	-179.4	167.3	0	0	111.5	V198 E199 A205 F206 W246 M250	V198-E202 HydrophobicContact CG1-CG 4.4Å; V198-E202 WeakPolarHBondContact O-CG 3.49Å; V198-E202 PolarHBondContact O-N 2.95Å; E199-E202 PolarHBondContact O-N 3.27Å; E202-A205 PolarHBondContact O-N 3.03Å; E202-F206 VanDerWaalsContact O-CB 3.29Å; E202-F206 WeakPolarHBondContact O-CB 3.4Å; E202-F206 PolarHBondContact O-N 3.04Å; E202-W246 HydrophobicContact CB-CH2 4.35Å; E202-W246 HydrophobicContact CB-CZ2 3.73Å; E202-M250 WeakPolarHBondContact OE2-CE 3.15Å
203	L	84.5	Confident	85.4	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-63.7	-45.3	175	177.4	58	0	0	0	112.3	A30 Y31 E199 T200 L201 A205 F206 L207 A243 W246	A30-L203 WeakPolarHBondContact O-CD2 3.2Å; Y31-L203 HydrophobicContact CD1-CD2 3.57Å; Y31-L203 HydrophobicContact CD2-CD2 4.29Å; Y31-L203 HydrophobicContact CE1-CD2 3.54Å; Y31-L203 HydrophobicContact CE2-CD2 4.26Å; Y31-L203 HydrophobicContact CG-CD2 3.95Å; E199-L203 WeakPolarHBondContact O-CB 3.33Å; E199-L203 PolarHBondContact O-N 3.11Å; T200-L203 PolarHBondContact O-N 2.98Å; L201-L203 VanDerWaalsContact C-N 3.34Å; L201-L203 PolarHBondContact O-N 3.49Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 3.25Å; L203-F206 HydrophobicContact CD1-CD1 4.4Å; L203-F206 PolarHBondContact O-N 3.49Å; L203-L207 HydrophobicContact CD1-CD1 3.86Å; L203-L207 HydrophobicContact CD1-CD2 4.41Å; L203-L207 HydrophobicContact CD1-CG 3.85Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 WeakPolarHBondContact O-CG 2.98Å; L203-L207 PolarHBondContact O-N 3.47Å; L203-A243 HydrophobicContact CD2-CB 4.4Å; L203-W246 HydrophobicContact CD1-CB 3.89Å; L203-W246 HydrophobicContact CD1-CD2 4.3Å; L203-W246 HydrophobicContact CD1-CG 3.73Å
204	R	85.9	Confident	84.6	Confident	93 Å²	93	49.5 Å²	49.5	35%	0.351	24%	0.237	S	C	.	.	H	α-helix	trans	-60.6	-43.2	176.5	-72	177.8	94.3	167.5	13.4	111.4	E26 A30 T200 L201 A208	E26-R204 IonicContact OE1-CZ 2.69Å; E26-R204 VanDerWaalsContact OE1-CZ 3.23Å; E26-R204 IonicContact OE1-NH1 3.59Å; E26-R204 PolarHBondContact OE1-NH1 3.4Å; E26-R204 IonicContact OE1-NH2 3.24Å; E26-R204 PolarHBondContact OE1-NH2 3.4Å; A30-R204 HydrophobicContact CB-CG 4.21Å; T200-R204 HydrophobicContact CG2-CG 4.49Å; T200-R204 VanDerWaalsContact O-CG 3.3Å; T200-R204 WeakPolarHBondContact O-CG 3.11Å; T200-R204 PolarHBondContact O-N 3.09Å; L201-R204 PolarHBondContact O-N 2.91Å; R204-A208 WeakPolarHBondContact O-CB 3.35Å; R204-A208 PolarHBondContact O-N 3.14Å
205	A	84.2	Confident	84	Confident	39 Å²	39	50.1 Å²	50.1	32%	0.322	24%	0.243	S	C	.	.	H	α-helix	trans	-66.7	-37.6	176.6	0	0	0	0	0	112.5	L201 E202 L203 R209	L201-A205 WeakPolarHBondContact O-CB 3.22Å; L201-A205 PolarHBondContact O-N 2.89Å; E202-A205 PolarHBondContact O-N 3.03Å; L203-A205 VanDerWaalsContact C-N 3.34Å; L203-A205 PolarHBondContact O-N 3.25Å; A205-R209 VanDerWaalsContact O-CG 3.32Å; A205-R209 WeakPolarHBondContact O-CG 3.37Å; A205-R209 PolarHBondContact O-N 3.2Å; A205-R209 VanDerWaalsContact O-N 3.1Å
206	F	82.5	Confident	83.6	Confident	57 Å²	57	55.6 Å²	55.6	25%	0.25	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-51.7	174	173.3	-104.1	0	0	0	111.7	E202 L203 A208 R209 V210 W242 W246	E202-F206 VanDerWaalsContact O-CB 3.29Å; E202-F206 WeakPolarHBondContact O-CB 3.4Å; E202-F206 PolarHBondContact O-N 3.04Å; L203-F206 HydrophobicContact CD1-CD1 4.4Å; L203-F206 PolarHBondContact O-N 3.49Å; F206-A208 VanDerWaalsContact C-N 3.28Å; F206-A208 PolarHBondContact O-N 3.27Å; F206-R209 PolarHBondContact O-N 3.47Å; F206-R209 VanDerWaalsContact O-N 3.11Å; F206-V210 HydrophobicContact CD1-CG2 4.42Å; F206-V210 HydrophobicContact CD2-CG2 4.43Å; F206-V210 HydrophobicContact CE1-CG2 3.98Å; F206-V210 HydrophobicContact CE2-CG2 3.98Å; F206-V210 HydrophobicContact CZ-CG2 3.74Å; F206-V210 WeakPolarHBondContact O-CG2 3.24Å; F206-V210 PolarHBondContact O-N 3.04Å; F206-W242 HydrophobicContact CE1-CB 4.43Å; F206-W242 HydrophobicContact CE1-CD2 4.34Å; F206-W242 AromaticContact CE1-CE3 3.65Å; F206-W242 HydrophobicContact CE1-CE3 3.65Å; F206-W242 HydrophobicContact CE1-CZ3 4.34Å; F206-W242 AromaticContact CZ-CE3 3.56Å; F206-W242 HydrophobicContact CZ-CE3 3.56Å; F206-W242 AromaticContact CZ-CZ3 3.77Å; F206-W242 HydrophobicContact CZ-CZ3 3.77Å; F206-W246 HydrophobicContact CB-CE3 4.13Å; F206-W246 HydrophobicContact CB-CH2 4.37Å; F206-W246 HydrophobicContact CB-CZ3 3.9Å; F206-W246 HydrophobicContact CD1-CD2 4.44Å; F206-W246 AromaticContact CD1-CE3 3.76Å; F206-W246 HydrophobicContact CD1-CE3 3.76Å; F206-W246 HydrophobicContact CD1-CZ3 4.27Å; F206-W246 HydrophobicContact CD2-CE3 4.05Å; F206-W246 AromaticContact CD2-CZ3 3.79Å; F206-W246 HydrophobicContact CD2-CZ3 3.79Å; F206-W246 HydrophobicContact CE1-CE3 4.17Å; F206-W246 HydrophobicContact CE2-CE3 4.44Å; F206-W246 HydrophobicContact CE2-CZ3 4.41Å; F206-W246 AromaticContact CG-CE3 3.69Å; F206-W246 HydrophobicContact CG-CE3 3.69Å; F206-W246 AromaticContact CG-CZ3 3.71Å; F206-W246 HydrophobicContact CG-CZ3 3.71Å; F206-W246 HydrophobicContact CZ-CE3 4.49Å
207	L	80.8	Confident	83	Confident	18 Å²	18	60.3 Å²	60.3	9%	0.094	30%	0.295	C	S	.	.	H	α-helix	trans	-61.6	-35.1	178.2	-68.6	173.8	0	0	0	112.3	L203 R211 H239 W242	L203-L207 HydrophobicContact CD1-CD1 3.86Å; L203-L207 HydrophobicContact CD1-CD2 4.41Å; L203-L207 HydrophobicContact CD1-CG 3.85Å; L203-L207 HydrophobicContact CG-CD1 3.98Å; L203-L207 HydrophobicContact CG-CG 4.38Å; L203-L207 WeakPolarHBondContact O-CB 3.48Å; L203-L207 WeakPolarHBondContact O-CG 2.98Å; L203-L207 PolarHBondContact O-N 3.47Å; L207-R211 WeakPolarHBondContact O-CB 3.34Å; L207-R211 PolarHBondContact O-N 3.17Å; L207-H239 WeakPolarHBondContact CD2-CE1 3.25Å; L207-W242 HydrophobicContact CD2-CB 3.61Å; L207-W242 HydrophobicContact CD2-CG 4.46Å
208	A	81.9	Confident	82.2	Confident	40 Å²	40	65.5 Å²	65.5	33%	0.331	32%	0.319	S	S	.	.	H	α-helix	trans	-62.5	-47.7	172	0	0	0	0	0	111.8	R204 F206 V210 R211 E212	R204-A208 WeakPolarHBondContact O-CB 3.35Å; R204-A208 PolarHBondContact O-N 3.14Å; F206-A208 VanDerWaalsContact C-N 3.28Å; F206-A208 PolarHBondContact O-N 3.27Å; A208-V210 PolarHBondContact O-N 2.93Å; A208-R211 WeakPolarHBondContact O-CB 3.35Å; A208-R211 PolarHBondContact O-N 3.27Å; A208-E212 WeakPolarHBondContact O-CG 3.49Å; A208-E212 PolarHBondContact O-N 3.24Å
209	R	81.7	Confident	81.6	Confident	182 Å²	182	69.3 Å²	69.3	69%	0.687	33%	0.332	S	S	*	.	H	α-helix	trans	-62.9	-39.2	176.9	-71.8	169	-178.2	-119.5	2.8	112.9	A205 F206 R211 E212 A213	A205-R209 VanDerWaalsContact O-CG 3.32Å; A205-R209 WeakPolarHBondContact O-CG 3.37Å; A205-R209 PolarHBondContact O-N 3.2Å; A205-R209 VanDerWaalsContact O-N 3.1Å; F206-R209 PolarHBondContact O-N 3.47Å; F206-R209 VanDerWaalsContact O-N 3.11Å; R209-R211 VanDerWaalsContact C-N 3.33Å; R209-E212 PolarHBondContact O-N 3.31Å; R209-A213 VanDerWaalsContact O-CB 3.24Å; R209-A213 WeakPolarHBondContact O-CB 3.31Å; R209-A213 PolarHBondContact O-N 3.14Å
210	V	79.4	Confident	80.9	Confident	21 Å²	21	73.5 Å²	73.5	13%	0.127	36%	0.355	C	S	.	.	H	α-helix	trans	-61.5	-43.1	174.3	172.7	0	0	0	0	110.4	F206 A208 A213 K214 W242	F206-V210 HydrophobicContact CD1-CG2 4.42Å; F206-V210 HydrophobicContact CD2-CG2 4.43Å; F206-V210 HydrophobicContact CE1-CG2 3.98Å; F206-V210 HydrophobicContact CE2-CG2 3.98Å; F206-V210 HydrophobicContact CZ-CG2 3.74Å; F206-V210 WeakPolarHBondContact O-CG2 3.24Å; F206-V210 PolarHBondContact O-N 3.04Å; A208-V210 PolarHBondContact O-N 2.93Å; V210-A213 PolarHBondContact O-N 3.08Å; V210-K214 HydrophobicContact CG1-CD 4.4Å; V210-K214 WeakPolarHBondContact O-CB 3.25Å; V210-K214 WeakPolarHBondContact O-CG 3.49Å; V210-K214 PolarHBondContact O-N 3.23Å; V210-W242 HydrophobicContact CG1-CD2 4.49Å; V210-W242 HydrophobicContact CG1-CZ2 4.4Å
211	R	79.3	Confident	79.8	Confident	121 Å²	121	79.9 Å²	79.9	46%	0.457	38%	0.379	S	S	.	.	H	α-helix	trans	-62.7	-51.2	175.8	-168.9	-170.6	-51.3	-77.4	-3.8	112	L207 A208 R209 A213 K214 E215 H239	L207-R211 WeakPolarHBondContact O-CB 3.34Å; L207-R211 PolarHBondContact O-N 3.17Å; A208-R211 WeakPolarHBondContact O-CB 3.35Å; A208-R211 PolarHBondContact O-N 3.27Å; R209-R211 VanDerWaalsContact C-N 3.33Å; R211-A213 VanDerWaalsContact C-N 3.3Å; R211-A213 PolarHBondContact O-N 3.19Å; R211-K214 PolarHBondContact O-N 2.88Å; R211-E215 WeakPolarHBondContact O-CG 3.28Å; R211-E215 PolarHBondContact O-N 2.88Å; R211-H239 PolarHBondContact NH1-NE2 2.94Å; R211-H239 PolarHBondContact NH2-NE2 2.8Å
212	E	80.1	Confident	78.3	Confident	126 Å²	126	85.5 Å²	85.5	59%	0.589	40%	0.404	S	S	*	.	H	α-helix	trans	-59.3	-39.9	178.3	-72.6	175.2	-174.1	0	0	112.2	A208 R209 M216	A208-E212 WeakPolarHBondContact O-CG 3.49Å; A208-E212 PolarHBondContact O-N 3.24Å; R209-E212 PolarHBondContact O-N 3.31Å; E212-M216 WeakPolarHBondContact O-CB 3.4Å; E212-M216 PolarHBondContact O-N 2.89Å
213	A	78.8	Confident	76.9	Confident	50 Å²	50	89.9 Å²	89.9	41%	0.413	43%	0.429	S	S	.	.	H	α-helix	trans	-65.9	-45.5	175.4	0	0	0	0	0	112	R209 V210 R211 E215 M216 L217	R209-A213 VanDerWaalsContact O-CB 3.24Å; R209-A213 WeakPolarHBondContact O-CB 3.31Å; R209-A213 PolarHBondContact O-N 3.14Å; V210-A213 PolarHBondContact O-N 3.08Å; R211-A213 VanDerWaalsContact C-N 3.3Å; R211-A213 PolarHBondContact O-N 3.19Å; A213-E215 PolarHBondContact O-N 3.17Å; A213-M216 PolarHBondContact O-N 3.01Å; A213-L217 WeakPolarHBondContact O-CB 3.47Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.37Å; A213-L217 PolarHBondContact O-N 3Å
214	K	77.6	Confident	75.4	Confident	60 Å²	60	96.9 Å²	96.9	26%	0.261	46%	0.462	S	S	.	.	H	α-helix	trans	-59.6	-45.2	174.7	-75.9	-174.5	177.9	-168.9	0	111.3	V210 R211 M216 L217 Q218 D235 L237	V210-K214 HydrophobicContact CG1-CD 4.4Å; V210-K214 WeakPolarHBondContact O-CB 3.25Å; V210-K214 WeakPolarHBondContact O-CG 3.49Å; V210-K214 PolarHBondContact O-N 3.23Å; R211-K214 PolarHBondContact O-N 2.88Å; K214-M216 PolarHBondContact O-N 3.42Å; K214-L217 PolarHBondContact O-N 2.9Å; K214-Q218 WeakPolarHBondContact O-CB 3.38Å; K214-Q218 PolarHBondContact O-N 3.31Å; K214-D235 PolarHBondContact NZ-O 3.48Å; K214-L237 PolarHBondContact NZ-O 3.42Å
215	E	80.3	Confident	73.7	Confident	85 Å²	85	97.7 Å²	97.7	40%	0.397	48%	0.479	S	S	.	.	H	α-helix	trans	-62.8	-38.7	175.6	-75.3	-176.1	-148.2	0	0	113.3	R211 A213 Q218 K219	R211-E215 WeakPolarHBondContact O-CG 3.28Å; R211-E215 PolarHBondContact O-N 2.88Å; A213-E215 PolarHBondContact O-N 3.17Å; E215-Q218 PolarHBondContact O-N 3.16Å; E215-K219 WeakPolarHBondContact O-CD 3.32Å; E215-K219 VanDerWaalsContact O-CG 3.29Å; E215-K219 WeakPolarHBondContact O-CG 3.47Å; E215-K219 PolarHBondContact O-N 2.82Å; E215-K219 IonicContact OE2-NZ 2.86Å; E215-K219 PolarHBondContact OE2-NZ 3.47Å
216	M	78.6	Confident	72	Confident	119 Å²	119	104.3 Å²	104.3	59%	0.586	50%	0.504	S	S	*	.	H	α-helix	trans	-66.8	-43.3	176.6	-171.7	-173.9	-56.6	0	0	111.3	E212 A213 K214 Q218 K219 L220	E212-M216 WeakPolarHBondContact O-CB 3.4Å; E212-M216 PolarHBondContact O-N 2.89Å; A213-M216 PolarHBondContact O-N 3.01Å; K214-M216 PolarHBondContact O-N 3.42Å; M216-Q218 VanDerWaalsContact C-N 3.32Å; M216-Q218 PolarHBondContact O-N 2.83Å; M216-K219 PolarHBondContact O-N 3.5Å; M216-L220 HydrophobicContact CG-CD1 4.27Å; M216-L220 VanDerWaalsContact O-CG 3.31Å; M216-L220 WeakPolarHBondContact O-CG 3.24Å; M216-L220 PolarHBondContact O-N 3.49Å
217	L	76.6	Confident	70.2	Confident	103 Å²	103	107 Å²	107	54%	0.539	52%	0.524	S	S	.	.	H	α-helix	trans	-63.4	-38	175.6	-71.4	169.9	0	0	0	111.9	A213 K214 L220 R221	A213-L217 WeakPolarHBondContact O-CB 3.47Å; A213-L217 VanDerWaalsContact O-CG 3.3Å; A213-L217 WeakPolarHBondContact O-CG 3.37Å; A213-L217 PolarHBondContact O-N 3Å; K214-L217 PolarHBondContact O-N 2.9Å; L217-L220 PolarHBondContact O-N 3.38Å; L217-R221 WeakPolarHBondContact O-CB 3.47Å; L217-R221 PolarHBondContact O-N 3.02Å
218	Q	75.6	Confident	68.7	Low	118 Å²	118	114.6 Å²	114.6	55%	0.551	56%	0.56	S	S	*	*	H	α-helix	trans	-63.4	-48.2	174.9	-171.9	170.6	4.9	0	0	111.7	K214 E215 M216 L220 R221 E222	K214-Q218 WeakPolarHBondContact O-CB 3.38Å; K214-Q218 PolarHBondContact O-N 3.31Å; E215-Q218 PolarHBondContact O-N 3.16Å; M216-Q218 VanDerWaalsContact C-N 3.32Å; M216-Q218 PolarHBondContact O-N 2.83Å; Q218-L220 VanDerWaalsContact C-N 3.28Å; Q218-L220 PolarHBondContact O-N 3.44Å; Q218-R221 WeakPolarHBondContact O-CB 3.3Å; Q218-R221 PolarHBondContact O-N 3.45Å; Q218-E222 PolarHBondContact O-N 3.33Å; Q218-E222 VanDerWaalsContact O-N 3.11Å
219	K	77.4	Confident	67.2	Low	123 Å²	123	116.7 Å²	116.7	54%	0.535	57%	0.568	S	S	.	*	H	α-helix	trans	-59.5	-36.7	175.9	-70.2	159.8	-170.4	155.4	0	112.3	E215 M216	E215-K219 WeakPolarHBondContact O-CD 3.32Å; E215-K219 VanDerWaalsContact O-CG 3.29Å; E215-K219 WeakPolarHBondContact O-CG 3.47Å; E215-K219 PolarHBondContact O-N 2.82Å; E215-K219 IonicContact OE2-NZ 2.86Å; E215-K219 PolarHBondContact OE2-NZ 3.47Å; M216-K219 PolarHBondContact O-N 3.5Å
220	L	70.1	Confident	65.4	Low	108 Å²	108	114 Å²	114	57%	0.565	57%	0.574	S	S	*	*	H	α-helix	trans	-73.4	-25.8	175.3	-69.8	169.7	0	0	0	113.5	M216 L217 Q218	M216-L220 HydrophobicContact CG-CD1 4.27Å; M216-L220 VanDerWaalsContact O-CG 3.31Å; M216-L220 WeakPolarHBondContact O-CG 3.24Å; M216-L220 PolarHBondContact O-N 3.49Å; L217-L220 PolarHBondContact O-N 3.38Å; Q218-L220 VanDerWaalsContact C-N 3.28Å; Q218-L220 PolarHBondContact O-N 3.44Å
221	R	66.1	Low	63.9	Low	134 Å²	134	119.1 Å²	119.1	51%	0.506	60%	0.597	S	S	.	*	H	α-helix	trans	-78.6	-27.6	176.7	-178.7	-177.9	-83.5	-105.3	5.5	112.3	L217 Q218 D223 E224	L217-R221 WeakPolarHBondContact O-CB 3.47Å; L217-R221 PolarHBondContact O-N 3.02Å; Q218-R221 WeakPolarHBondContact O-CB 3.3Å; Q218-R221 PolarHBondContact O-N 3.45Å; R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 3.07Å; R221-E224 PolarHBondContact O-N 2.93Å
222	E	58.2	Low	62.4	Low	147 Å²	147	116.7 Å²	116.7	69%	0.687	60%	0.602	S	S	*	*	H	α-helix	trans	-68.6	-24.2	176.6	-72.2	173.5	176.2	0	0	113.1	Q218	Q218-E222 PolarHBondContact O-N 3.33Å; Q218-E222 VanDerWaalsContact O-N 3.11Å
223	D	55.7	Low	61.1	Low	144 Å²	144	118.6 Å²	118.6	77%	0.77	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.9	-7.8	177.9	-89	-24.8	0	0	0	114.6	R221	R221-D223 VanDerWaalsContact C-N 3.27Å; R221-D223 PolarHBondContact O-N 3.07Å
224	E	53.1	Low	59.7	Low	147 Å²	147	121.6 Å²	121.6	69%	0.687	62%	0.62	S	S	*	*	S	Bend	trans	-114.6	135.8	-179	-79.5	-87.8	127.7	0	0	112	R221 Q226	R221-E224 PolarHBondContact O-N 2.93Å; E224-Q226 PolarHBondContact O-N 3.11Å
225	P	49	Very low	58.7	Low	110 Å²	110	122.5 Å²	122.5	71%	0.714	63%	0.627	S	S	*	*			trans	-67.1	127.7	177.5	28.2	-33.4	0	0	0	110.9	V227	P225-V227 PolarHBondContact O-N 3.47Å
226	Q	49.4	Very low	57.6	Low	177 Å²	177	122.7 Å²	122.7	83%	0.827	64%	0.638	S	S	*	*			trans	-47.2	121.4	-169.7	-68.9	-178.6	-9.6	0	0	114.3	E224	E224-Q226 PolarHBondContact O-N 3.11Å
227	V	44.8	Very low	56.8	Low	113 Å²	113	119 Å²	119	69%	0.685	62%	0.621	S	S	*	*			trans	-118.3	121.2	156	178.8	0	0	0	0	107.2	P225 T229	P225-V227 PolarHBondContact O-N 3.47Å; V227-T229 PolarHBondContact O-N 3.31Å
228	E	50.1	Low	56.3	Low	179 Å²	179	115.5 Å²	115.5	84%	0.836	61%	0.609	S	S	*	*			trans	-75.8	118.6	-179.6	-62.5	177.8	155	0	0	110.3
229	T	48.8	Very low	56.1	Low	84 Å²	84	113.3 Å²	113.3	52%	0.515	60%	0.599	S	S	.	*			trans	-135.3	145.5	168.4	46.1	0	0	0	0	110.5	V227 Q231	V227-T229 PolarHBondContact O-N 3.31Å; T229-Q231 VanDerWaalsContact C-N 3.31Å; T229-Q231 PolarHBondContact O-N 3.24Å
230	P	43.9	Very low	55.7	Low	124 Å²	124	109.3 Å²	109.3	81%	0.805	59%	0.585	S	S	*	*	S	Bend	trans	-82.5	69	-169.7	34.7	-37.4	0	0	0	112.3	A232	P230-A232 VanDerWaalsContact C-N 3.33Å
231	Q	48	Very low	56.1	Low	130 Å²	130	106.7 Å²	106.7	61%	0.607	57%	0.571	S	S	*	*			trans	-90.6	2.4	166.2	-84.6	-177.3	-57.3	0	0	113.2	T229 E233 L234	T229-Q231 VanDerWaalsContact C-N 3.31Å; T229-Q231 PolarHBondContact O-N 3.24Å; Q231-E233 PolarHBondContact O-N 3.32Å; Q231-E233 VanDerWaalsContact O-N 3.14Å; Q231-L234 PolarHBondContact O-N 2.84Å
232	A	49.1	Very low	56.7	Low	69 Å²	69	102.3 Å²	102.3	57%	0.57	56%	0.555	S	S	*	*	H	α-helix	trans	-60.3	-26.7	-171	0	0	0	0	0	114.7	P230 D235 S236	P230-A232 VanDerWaalsContact C-N 3.33Å; A232-D235 PolarHBondContact O-N 3.35Å; A232-S236 VanDerWaalsContact O-CB 3.23Å; A232-S236 WeakPolarHBondContact O-CB 3.16Å; A232-S236 PolarHBondContact O-N 3.06Å; A232-S236 PolarHBondContact O-OG 2.95Å; A232-S236 VanDerWaalsContact O-OG 3.06Å
233	E	51.2	Low	57.5	Low	166 Å²	166	95.3 Å²	95.3	78%	0.776	52%	0.522	S	S	*	.	H	α-helix	trans	-71	-29.9	-173.5	-67.2	174.3	176.8	0	0	114.2	Q231 S236	Q231-E233 PolarHBondContact O-N 3.32Å; Q231-E233 VanDerWaalsContact O-N 3.14Å; E233-S236 PolarHBondContact O-OG 3.36Å
234	L	51.3	Low	58.5	Low	114 Å²	114	94.4 Å²	94.4	60%	0.597	51%	0.508	S	S	*	.	H	α-helix	trans	-91.4	-28.2	175.3	-146.1	78.5	0	0	0	111.9	Q231 L237 W242	Q231-L234 PolarHBondContact O-N 2.84Å; L234-L237 HydrophobicContact CD1-CD1 3.75Å; L234-L237 HydrophobicContact CG-CD1 4.08Å; L234-W242 HydrophobicContact CG-CZ2 4.47Å
235	D	55	Low	59.6	Low	78 Å²	78	91.8 Å²	91.8	42%	0.417	50%	0.498	S	S	.	.	H	α-helix	trans	-74.2	-26.3	176.3	-77.7	-27.1	0	0	0	112.5	K214 A232	K214-D235 PolarHBondContact NZ-O 3.48Å; A232-D235 PolarHBondContact O-N 3.35Å
236	S	57	Low	61	Low	89 Å²	89	88.2 Å²	88.2	62%	0.622	47%	0.471	S	S	*	.	S	Bend	trans	-79	-18.8	178.3	62.6	0	0	0	0	115.1	A232 E233 G238	A232-S236 VanDerWaalsContact O-CB 3.23Å; A232-S236 WeakPolarHBondContact O-CB 3.16Å; A232-S236 PolarHBondContact O-N 3.06Å; A232-S236 PolarHBondContact O-OG 2.95Å; A232-S236 VanDerWaalsContact O-OG 3.06Å; E233-S236 PolarHBondContact O-OG 3.36Å; S236-G238 PolarHBondContact O-N 3.36Å
237	L	61.7	Low	62	Low	42 Å²	42	82 Å²	82	22%	0.22	44%	0.444	C	S	.	.			trans	-55.1	124.6	-178.6	-71.1	168	0	0	0	111.9	K214 L234 D241 W242 L245	K214-L237 PolarHBondContact NZ-O 3.42Å; L234-L237 HydrophobicContact CD1-CD1 3.75Å; L234-L237 HydrophobicContact CG-CD1 4.08Å; L237-D241 HydrophobicContact CB-CB 4.2Å; L237-D241 HydrophobicContact CD2-CB 3.69Å; L237-W242 HydrophobicContact CD1-CZ2 4.07Å; L237-W242 PolarHBondContact O-NE1 2.9Å; L237-L245 HydrophobicContact CD1-CD1 4.39Å
238	G	67.8	Low	63.5	Low	29 Å²	29	80 Å²	80	30%	0.299	43%	0.428	S	S	.	.			trans	-77.5	173.4	-178.7	0	0	0	0	0	113.1	S236 T240 D241 W242	S236-G238 PolarHBondContact O-N 3.36Å; G238-T240 VanDerWaalsContact C-N 3.3Å; G238-T240 PolarHBondContact O-N 3.19Å; G238-D241 PolarHBondContact N-OD2 3.45Å; G238-D241 PolarHBondContact O-N 3.1Å; G238-W242 VanDerWaalsContact O-CD1 3.26Å; G238-W242 PolarHBondContact O-N 2.93Å; G238-W242 VanDerWaalsContact O-N 3.15Å
239	H	70	Confident	64.6	Low	72 Å²	72	75.5 Å²	75.5	33%	0.333	41%	0.409	S	S	.	.	H	α-helix	trans	-60.6	-40.5	177.3	-72.3	-48.2	0	0	0	112.1	E32 L207 R211 D241 W242 A243	E32-H239 VanDerWaalsContact OE1-CB 3.32Å; E32-H239 WeakPolarHBondContact OE1-CB 3.44Å; L207-H239 WeakPolarHBondContact CD2-CE1 3.25Å; R211-H239 PolarHBondContact NH1-NE2 2.94Å; R211-H239 PolarHBondContact NH2-NE2 2.8Å; H239-D241 PolarHBondContact O-N 2.84Å; H239-W242 PolarHBondContact O-N 3.48Å; H239-A243 WeakPolarHBondContact O-CB 3.41Å; H239-A243 PolarHBondContact O-N 3.25Å
240	T	69.8	Low	65.7	Low	40 Å²	40	72.1 Å²	72.1	25%	0.245	39%	0.387	C	S	.	.	H	α-helix	trans	-54.9	-43.1	171.4	52.6	0	0	0	0	113.8	E32 G238 A243 R244	E32-T240 HydrophobicContact CB-CG2 3.89Å; E32-T240 HydrophobicContact CG-CG2 4.2Å; E32-T240 PolarHBondContact OE1-N 3.16Å; E32-T240 WeakPolarHBondContact OE2-CG2 3.49Å; G238-T240 VanDerWaalsContact C-N 3.3Å; G238-T240 PolarHBondContact O-N 3.19Å; T240-A243 PolarHBondContact O-N 3.3Å; T240-R244 WeakPolarHBondContact O-CG 3.47Å; T240-R244 PolarHBondContact O-N 2.89Å; T240-R244 PolarHBondContact OG1-NH2 3.09Å
241	D	77.4	Confident	67	Low	52 Å²	52	70.8 Å²	70.8	28%	0.278	37%	0.366	S	S	.	.	H	α-helix	trans	-69.8	-42.3	-179.3	-56	-49.7	0	0	0	111.7	L237 G238 H239 R244 L245	L237-D241 HydrophobicContact CB-CB 4.2Å; L237-D241 HydrophobicContact CD2-CB 3.69Å; G238-D241 PolarHBondContact N-OD2 3.45Å; G238-D241 PolarHBondContact O-N 3.1Å; H239-D241 PolarHBondContact O-N 2.84Å; D241-R244 PolarHBondContact O-N 2.89Å; D241-R244 IonicContact OD1-CZ 3.65Å; D241-R244 IonicContact OD1-NE 3.65Å; D241-R244 IonicContact OD1-NH2 3.97Å; D241-R244 PolarHBondContact OD1-NH2 3.11Å; D241-L245 WeakPolarHBondContact O-CB 3.48Å; D241-L245 WeakPolarHBondContact O-CG 3.49Å; D241-L245 PolarHBondContact O-N 3.37Å
242	W	78.8	Confident	68.1	Low	43 Å²	43	69.9 Å²	69.9	16%	0.163	36%	0.362	C	S	.	.	H	α-helix	trans	-65.2	-37.7	174.9	-77.4	105.8	0	0	0	112.4	F206 L207 V210 L234 L237 G238 H239 W246	F206-W242 HydrophobicContact CE1-CB 4.43Å; F206-W242 HydrophobicContact CE1-CD2 4.34Å; F206-W242 AromaticContact CE1-CE3 3.65Å; F206-W242 HydrophobicContact CE1-CE3 3.65Å; F206-W242 HydrophobicContact CE1-CZ3 4.34Å; F206-W242 AromaticContact CZ-CE3 3.56Å; F206-W242 HydrophobicContact CZ-CE3 3.56Å; F206-W242 AromaticContact CZ-CZ3 3.77Å; F206-W242 HydrophobicContact CZ-CZ3 3.77Å; L207-W242 HydrophobicContact CD2-CB 3.61Å; L207-W242 HydrophobicContact CD2-CG 4.46Å; V210-W242 HydrophobicContact CG1-CD2 4.49Å; V210-W242 HydrophobicContact CG1-CZ2 4.4Å; L234-W242 HydrophobicContact CG-CZ2 4.47Å; L237-W242 HydrophobicContact CD1-CZ2 4.07Å; L237-W242 PolarHBondContact O-NE1 2.9Å; G238-W242 VanDerWaalsContact O-CD1 3.26Å; G238-W242 PolarHBondContact O-N 2.93Å; G238-W242 VanDerWaalsContact O-N 3.15Å; H239-W242 PolarHBondContact O-N 3.48Å; W242-W246 VanDerWaalsContact O-CB 3.28Å; W242-W246 WeakPolarHBondContact O-CB 3.29Å; W242-W246 PolarHBondContact O-N 3.45Å
243	A	74.8	Confident	68.9	Low	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.356	C	S	.	.	H	α-helix	trans	-64.3	-43.9	172.9	0	0	0	0	0	111.7	L203 H239 T240 W246 V247	L203-A243 HydrophobicContact CD2-CB 4.4Å; H239-A243 WeakPolarHBondContact O-CB 3.41Å; H239-A243 PolarHBondContact O-N 3.25Å; T240-A243 PolarHBondContact O-N 3.3Å; A243-W246 PolarHBondContact O-N 3.26Å; A243-V247 WeakPolarHBondContact O-CG2 3.29Å; A243-V247 PolarHBondContact O-N 3.5Å
244	R	77.5	Confident	69.7	Low	125 Å²	125	64.1 Å²	64.1	47%	0.472	32%	0.324	S	S	.	.	H	α-helix	trans	-58.8	-49.6	173.9	-80	-175.1	-77.6	-95.6	3.3	112.4	T240 D241 W246 V247 Q248	T240-R244 WeakPolarHBondContact O-CG 3.47Å; T240-R244 PolarHBondContact O-N 2.89Å; T240-R244 PolarHBondContact OG1-NH2 3.09Å; D241-R244 PolarHBondContact O-N 2.89Å; D241-R244 IonicContact OD1-CZ 3.65Å; D241-R244 IonicContact OD1-NE 3.65Å; D241-R244 IonicContact OD1-NH2 3.97Å; D241-R244 PolarHBondContact OD1-NH2 3.11Å; R244-W246 VanDerWaalsContact C-N 3.31Å; R244-W246 PolarHBondContact O-N 3.21Å; R244-V247 PolarHBondContact O-N 2.93Å; R244-Q248 WeakPolarHBondContact O-CB 3.4Å; R244-Q248 PolarHBondContact O-N 3.34Å
245	L	77.1	Confident	70.4	Confident	91 Å²	91	63.4 Å²	63.4	48%	0.476	32%	0.317	S	S	.	.	H	α-helix	trans	-63.3	-35.7	177.8	-71.4	171.7	0	0	0	112.4	L237 D241 Q248 L249	L237-L245 HydrophobicContact CD1-CD1 4.39Å; D241-L245 WeakPolarHBondContact O-CB 3.48Å; D241-L245 WeakPolarHBondContact O-CG 3.49Å; D241-L245 PolarHBondContact O-N 3.37Å; L245-Q248 WeakPolarHBondContact O-CB 3.41Å; L245-Q248 PolarHBondContact O-N 3.17Å; L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 3.48Å
246	W	76.8	Confident	70.8	Confident	36 Å²	36	61.8 Å²	61.8	14%	0.136	32%	0.32	C	S	.	.	H	α-helix	trans	-64.8	-48.5	174.2	-178.4	-95.1	0	0	0	111.9	E202 L203 F206 W242 A243 R244 Q248 L249 M250	E202-W246 HydrophobicContact CB-CH2 4.35Å; E202-W246 HydrophobicContact CB-CZ2 3.73Å; L203-W246 HydrophobicContact CD1-CB 3.89Å; L203-W246 HydrophobicContact CD1-CD2 4.3Å; L203-W246 HydrophobicContact CD1-CG 3.73Å; F206-W246 HydrophobicContact CB-CE3 4.13Å; F206-W246 HydrophobicContact CB-CH2 4.37Å; F206-W246 HydrophobicContact CB-CZ3 3.9Å; F206-W246 HydrophobicContact CD1-CD2 4.44Å; F206-W246 AromaticContact CD1-CE3 3.76Å; F206-W246 HydrophobicContact CD1-CE3 3.76Å; F206-W246 HydrophobicContact CD1-CZ3 4.27Å; F206-W246 HydrophobicContact CD2-CE3 4.05Å; F206-W246 AromaticContact CD2-CZ3 3.79Å; F206-W246 HydrophobicContact CD2-CZ3 3.79Å; F206-W246 HydrophobicContact CE1-CE3 4.17Å; F206-W246 HydrophobicContact CE2-CE3 4.44Å; F206-W246 HydrophobicContact CE2-CZ3 4.41Å; F206-W246 AromaticContact CG-CE3 3.69Å; F206-W246 HydrophobicContact CG-CE3 3.69Å; F206-W246 AromaticContact CG-CZ3 3.71Å; F206-W246 HydrophobicContact CG-CZ3 3.71Å; F206-W246 HydrophobicContact CZ-CE3 4.49Å; W242-W246 VanDerWaalsContact O-CB 3.28Å; W242-W246 WeakPolarHBondContact O-CB 3.29Å; W242-W246 PolarHBondContact O-N 3.45Å; A243-W246 PolarHBondContact O-N 3.26Å; R244-W246 VanDerWaalsContact C-N 3.31Å; R244-W246 PolarHBondContact O-N 3.21Å; W246-Q248 VanDerWaalsContact C-N 3.28Å; W246-Q248 PolarHBondContact O-N 2.92Å; W246-L249 PolarHBondContact O-N 3.38Å; W246-M250 HydrophobicContact CD2-CG 4.33Å; W246-M250 HydrophobicContact CG-CG 4.43Å; W246-M250 HydrophobicContact CZ2-CE 4Å; W246-M250 HydrophobicContact CZ2-CG 4.22Å; W246-M250 HydrophobicContact CZ2-SD 3.96Å; W246-M250 WeakPolarHBondContact O-CB 3.29Å; W246-M250 VanDerWaalsContact O-CG 3.29Å; W246-M250 WeakPolarHBondContact O-CG 3.23Å; W246-M250 PolarHBondContact O-N 2.98Å
247	V	72.4	Confident	70.9	Confident	45 Å²	45	64.3 Å²	64.3	27%	0.273	33%	0.331	S	S	.	.	H	α-helix	trans	-60.4	-38.5	175.9	171.8	0	0	0	0	111.4	Y31 A243 R244 R251	Y31-V247 HydrophobicContact CD1-CG2 3.63Å; Y31-V247 HydrophobicContact CE1-CG2 3.61Å; A243-V247 WeakPolarHBondContact O-CG2 3.29Å; A243-V247 PolarHBondContact O-N 3.5Å; R244-V247 PolarHBondContact O-N 2.93Å; V247-R251 VanDerWaalsContact O-CB 3.29Å; V247-R251 WeakPolarHBondContact O-CB 3.29Å; V247-R251 PolarHBondContact O-N 3.04Å
248	Q	74.6	Confident	70.6	Confident	72 Å²	72	69.3 Å²	69.3	34%	0.336	35%	0.351	S	S	.	.	H	α-helix	trans	-59.6	-53.9	173.1	-176.5	64.7	25.9	0	0	111.9	R244 L245 W246 M250 R251 E252	R244-Q248 WeakPolarHBondContact O-CB 3.4Å; R244-Q248 PolarHBondContact O-N 3.34Å; L245-Q248 WeakPolarHBondContact O-CB 3.41Å; L245-Q248 PolarHBondContact O-N 3.17Å; W246-Q248 VanDerWaalsContact C-N 3.28Å; W246-Q248 PolarHBondContact O-N 2.92Å; Q248-M250 PolarHBondContact O-N 2.92Å; Q248-R251 WeakPolarHBondContact O-CB 3.36Å; Q248-R251 PolarHBondContact O-N 3.25Å; Q248-E252 PolarHBondContact NE2-OE1 3.36Å; Q248-E252 PolarHBondContact O-N 3.06Å
249	L	74.7	Confident	69.6	Low	85 Å²	85	73.2 Å²	73.2	45%	0.445	36%	0.364	S	S	.	.	H	α-helix	trans	-60.5	-46	-179.4	177.8	63.3	0	0	0	112	L245 W246 R251 E252 L253	L245-L249 WeakPolarHBondContact O-CB 3.38Å; L245-L249 PolarHBondContact O-N 3.48Å; W246-L249 PolarHBondContact O-N 3.38Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.24Å; L249-E252 PolarHBondContact O-N 3.11Å; L249-L253 HydrophobicContact CD1-CD1 4.31Å; L249-L253 HydrophobicContact CD1-CG 4.39Å; L249-L253 HydrophobicContact CG-CD1 4.09Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.32Å; L249-L253 PolarHBondContact O-N 3.5Å
250	M	70.4	Confident	68.5	Low	13 Å²	13	78.7 Å²	78.7	6%	0.064	39%	0.387	C	S	.	.	H	α-helix	trans	-63.5	-36.6	178.5	-66.2	-62.5	-94.1	0	0	111.2	E199 E202 W246 Q248 L253 R254 P278	E199-M250 HydrophobicContact CG-CE 4.03Å; E202-M250 WeakPolarHBondContact OE2-CE 3.15Å; W246-M250 HydrophobicContact CD2-CG 4.33Å; W246-M250 HydrophobicContact CG-CG 4.43Å; W246-M250 HydrophobicContact CZ2-CE 4Å; W246-M250 HydrophobicContact CZ2-CG 4.22Å; W246-M250 HydrophobicContact CZ2-SD 3.96Å; W246-M250 WeakPolarHBondContact O-CB 3.29Å; W246-M250 VanDerWaalsContact O-CG 3.29Å; W246-M250 WeakPolarHBondContact O-CG 3.23Å; W246-M250 PolarHBondContact O-N 2.98Å; Q248-M250 PolarHBondContact O-N 2.92Å; M250-L253 PolarHBondContact O-N 2.93Å; M250-L253 HydrophobicContact SD-CD1 4.24Å; M250-R254 WeakPolarHBondContact O-CD 3.39Å; M250-R254 WeakPolarHBondContact O-CG 3.24Å; M250-R254 PolarHBondContact O-N 3.17Å; M250-P278 HydrophobicContact CB-CG 4.4Å; M250-P278 HydrophobicContact CE-CB 4.48Å; M250-P278 HydrophobicContact CE-CG 3.69Å; M250-P278 HydrophobicContact SD-CB 4.4Å; M250-P278 HydrophobicContact SD-CG 3.98Å
251	R	71.4	Confident	67.4	Low	96 Å²	96	86 Å²	86	36%	0.362	42%	0.415	S	S	.	.	H	α-helix	trans	-63.9	-47	173.4	-169.4	165.5	81.2	-96.6	7.6	112	V247 Q248 L249 L253 R254 H255	V247-R251 VanDerWaalsContact O-CB 3.29Å; V247-R251 WeakPolarHBondContact O-CB 3.29Å; V247-R251 PolarHBondContact O-N 3.04Å; Q248-R251 WeakPolarHBondContact O-CB 3.36Å; Q248-R251 PolarHBondContact O-N 3.25Å; L249-R251 VanDerWaalsContact C-N 3.29Å; L249-R251 PolarHBondContact O-N 3.24Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-L253 PolarHBondContact O-N 2.81Å; R251-R254 WeakPolarHBondContact O-CB 3.41Å; R251-R254 PolarHBondContact O-N 3.19Å; R251-H255 PolarHBondContact O-N 2.87Å; R251-H255 PolarHBondContact O-ND1 2.95Å
252	E	70.8	Confident	65.9	Low	111 Å²	111	87 Å²	87	52%	0.519	42%	0.423	S	S	.	.	H	α-helix	trans	-61.4	-39.5	177.2	-73.3	175.1	-156.9	0	0	112.3	Q248 L249 H255 G256	Q248-E252 PolarHBondContact NE2-OE1 3.36Å; Q248-E252 PolarHBondContact O-N 3.06Å; L249-E252 PolarHBondContact O-N 3.11Å; E252-H255 PolarHBondContact O-N 2.85Å; E252-G256 PolarHBondContact O-N 3.33Å
253	L	67.1	Low	64.3	Low	83 Å²	83	91.6 Å²	91.6	44%	0.435	45%	0.447	S	S	.	.	H	α-helix	trans	-64.8	-37.7	174.8	-68.8	170.3	0	0	0	112.5	L249 M250 R251 P278	L249-L253 HydrophobicContact CD1-CD1 4.31Å; L249-L253 HydrophobicContact CD1-CG 4.39Å; L249-L253 HydrophobicContact CG-CD1 4.09Å; L249-L253 VanDerWaalsContact O-CG 3.29Å; L249-L253 WeakPolarHBondContact O-CG 3.32Å; L249-L253 PolarHBondContact O-N 3.5Å; M250-L253 PolarHBondContact O-N 2.93Å; M250-L253 HydrophobicContact SD-CD1 4.24Å; R251-L253 VanDerWaalsContact C-N 3.32Å; R251-L253 PolarHBondContact O-N 2.81Å; L253-P278 HydrophobicContact CB-CB 3.62Å; L253-P278 HydrophobicContact CD1-CB 4.36Å
254	R	66.9	Low	63	Low	31 Å²	31	100.2 Å²	100.2	12%	0.117	49%	0.487	C	S	.	.	H	α-helix	trans	-65.4	-40.8	174	-70.6	160.5	171.5	-83.5	-12.4	112.3	E199 M250 R251 E273 P278	E199-R254 IonicContact OE1-CZ 3Å; E199-R254 VanDerWaalsContact OE1-CZ 3.31Å; E199-R254 IonicContact OE1-NE 3.98Å; E199-R254 PolarHBondContact OE1-NE 2.89Å; E199-R254 VanDerWaalsContact OE1-NE 3.15Å; E199-R254 IonicContact OE1-NH2 3.23Å; E199-R254 PolarHBondContact OE1-NH2 3.03Å; E199-R254 IonicContact OE2-CZ 3.03Å; E199-R254 IonicContact OE2-NH2 2.65Å; E199-R254 PolarHBondContact OE2-NH2 3.38Å; M250-R254 WeakPolarHBondContact O-CD 3.39Å; M250-R254 WeakPolarHBondContact O-CG 3.24Å; M250-R254 PolarHBondContact O-N 3.17Å; R251-R254 WeakPolarHBondContact O-CB 3.41Å; R251-R254 PolarHBondContact O-N 3.19Å; R254-E273 PolarHBondContact NH1-O 2.92Å; R254-E273 IonicContact NH1-OE1 2.9Å; R254-P278 HydrophobicContact CG-CB 4.31Å; R254-P278 HydrophobicContact CG-CG 3.7Å
255	H	66.9	Low	61.2	Low	98 Å²	98	100.4 Å²	100.4	45%	0.454	49%	0.493	S	S	.	.	H	α-helix	trans	-76	-32.7	-178	-74.8	69.5	0	0	0	112.9	R251 E252	R251-H255 PolarHBondContact O-N 2.87Å; R251-H255 PolarHBondContact O-ND1 2.95Å; E252-H255 PolarHBondContact O-N 2.85Å
256	G	64	Low	59.3	Low	45 Å²	45	105.3 Å²	105.3	46%	0.464	51%	0.514	S	S	.	.			trans	63.6	179.1	-178.5	0	0	0	0	0	114	E252 K258	E252-G256 PolarHBondContact O-N 3.33Å; G256-K258 PolarHBondContact O-N 2.89Å
257	V	59	Low	57.6	Low	141 Å²	141	110.7 Å²	110.7	86%	0.855	54%	0.538	S	S	*	.			trans	-88.6	93.1	177.1	-176.9	0	0	0	0	109.9	L259	V257-L259 PolarHBondContact O-N 3.24Å
258	K	54.5	Low	55.7	Low	148 Å²	148	115.6 Å²	115.6	64%	0.643	56%	0.563	S	S	*	*			trans	-67.3	117.1	176.7	-63.4	-179.2	-176.7	176.9	0	110.5	G256	G256-K258 PolarHBondContact O-N 2.89Å
259	L	46.6	Very low	54.3	Low	111 Å²	111	118.1 Å²	118.1	58%	0.581	59%	0.586	S	S	*	*			trans	-77.8	138.5	176.2	-65.9	176.3	0	0	0	110.6	V257 K261 V262	V257-L259 PolarHBondContact O-N 3.24Å; L259-K261 PolarHBondContact O-N 2.99Å; L259-V262 HydrophobicContact CB-CG2 4.3Å; L259-V262 PolarHBondContact O-N 3.36Å
260	K	47.7	Very low	52.5	Low	187 Å²	187	118.5 Å²	118.5	81%	0.813	59%	0.588	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.2	-11.4	-173.2	-149.4	174	-173.1	176	0	116.6
261	K	47	Very low	51.5	Low	192 Å²	192	120 Å²	120	84%	0.835	60%	0.598	S	S	*	*	T	Hydrogen-bonded Turn	trans	-100.7	-2.8	174.4	-75.9	-164.9	171.3	-164.5	0	114.9	L259	L259-K261 PolarHBondContact O-N 2.99Å
262	V	45.3	Very low	50.3	Low	74 Å²	74	119.5 Å²	119.5	45%	0.448	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-102.7	-12.8	177.5	-173.5	0	0	0	0	110.6	L259 E264 Q265 F267	L259-V262 HydrophobicContact CB-CG2 4.3Å; L259-V262 PolarHBondContact O-N 3.36Å; V262-E264 PolarHBondContact O-N 2.89Å; V262-Q265 PolarHBondContact O-N 3.3Å; V262-F267 HydrophobicContact CG1-CE2 4.23Å
263	Q	45.4	Very low	49.4	Very low	139 Å²	139	118.4 Å²	118.4	65%	0.65	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.8	-24.8	174.7	-113.1	171.6	-9.7	0	0	113.8	Q265	Q263-Q265 VanDerWaalsContact C-N 3.25Å; Q263-Q265 PolarHBondContact O-N 3.35Å
264	E	46.4	Very low	48.8	Very low	182 Å²	182	115.8 Å²	115.8	85%	0.85	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.4	-5.8	177.9	-66.3	175.6	163.8	0	0	113.3	V262	V262-E264 PolarHBondContact O-N 2.89Å
265	Q	40.2	Very low	48.4	Very low	128 Å²	128	118.9 Å²	118.9	60%	0.598	60%	0.602	S	S	*	*	S	Bend	trans	-115.3	99.7	179.1	-168.6	166.4	34.7	0	0	109.8	V262 Q263 F267	V262-Q265 PolarHBondContact O-N 3.3Å; Q263-Q265 VanDerWaalsContact C-N 3.25Å; Q263-Q265 PolarHBondContact O-N 3.35Å; Q265-F267 HydrophobicContact CB-CE2 4.36Å; Q265-F267 HydrophobicContact CG-CE2 4.09Å; Q265-F267 WeakPolarHBondContact O-CD2 3.2Å; Q265-F267 PolarHBondContact O-N 3.05Å; Q265-F267 VanDerWaalsContact O-N 3.09Å
266	E	38.3	Very low	47.9	Very low	194 Å²	194	116.2 Å²	116.2	91%	0.907	59%	0.591	S	S	*	*			trans	-62.2	110.5	172.2	-72.8	-174.6	135	0	0	110.2
267	F	39.8	Very low	48	Very low	149 Å²	149	114.3 Å²	114.3	65%	0.654	57%	0.57	S	S	*	*			trans	-85.7	129.1	163.4	-76.7	-94.4	0	0	0	108.3	V262 Q265	V262-F267 HydrophobicContact CG1-CE2 4.23Å; Q265-F267 HydrophobicContact CB-CE2 4.36Å; Q265-F267 HydrophobicContact CG-CE2 4.09Å; Q265-F267 WeakPolarHBondContact O-CD2 3.2Å; Q265-F267 PolarHBondContact O-N 3.05Å; Q265-F267 VanDerWaalsContact O-N 3.09Å
268	N	33.7	Very low	48.2	Very low	149 Å²	149	107.9 Å²	107.9	80%	0.797	53%	0.531	S	S	*	.			trans	-50.6	125.1	-179.8	-90.4	-23.5	0	0	0	111.6	L270	N268-L270 PolarHBondContact O-N 3.35Å
269	P	43.7	Very low	48.6	Very low	125 Å²	125	105.9 Å²	105.9	81%	0.812	52%	0.523	S	S	*	.			trans	-80.8	34.2	-172.5	33.1	-37.1	0	0	0	114.5
270	L	38	Very low	49.7	Very low	93 Å²	93	104.3 Å²	104.3	49%	0.487	51%	0.513	S	S	.	.	S	Bend	trans	-142.6	144.6	179.4	-76.2	170.5	0	0	0	111	T180 N268	T180-L270 WeakPolarHBondContact OG1-CD1 3.45Å; N268-L270 PolarHBondContact O-N 3.35Å
271	P	48.2	Very low	50.6	Low	44 Å²	44	97.6 Å²	97.6	29%	0.286	49%	0.485	S	S	.	.	S	Bend	cis	-116.8	61.6	-38.8	36.8	-23.7	0	0	0	109.2	H188 E273 Q275	H188-P271 WeakPolarHBondContact ND1-CB 3.44Å; P271-E273 VanDerWaalsContact C-N 3.29Å; P271-Q275 WeakPolarHBondContact O-CG 3.25Å; P271-Q275 PolarHBondContact O-NE2 3.44Å
272	T	46.7	Very low	51.6	Low	85 Å²	85	92.9 Å²	92.9	52%	0.521	47%	0.468	S	S	.	.	S	Bend	trans	-70.1	-30.1	177.5	-38.8	0	0	0	0	111.7	F274 Q275	T272-F274 VanDerWaalsContact C-N 3.27Å; T272-F274 PolarHBondContact O-N 3.11Å; T272-Q275 PolarHBondContact O-N 2.91Å
273	E	52.5	Low	52.6	Low	88 Å²	88	90.7 Å²	90.7	41%	0.411	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-37.1	-175.6	178.7	167.1	-155.2	0	0	113.8	R254 P271	R254-E273 PolarHBondContact NH1-O 2.92Å; R254-E273 IonicContact NH1-OE1 2.9Å; P271-E273 VanDerWaalsContact C-N 3.29Å
274	F	54.8	Low	53.5	Low	28 Å²	28	88.9 Å²	88.9	12%	0.123	45%	0.445	C	S	.	.	T	Hydrogen-bonded Turn	trans	-102.6	-4.4	-177.4	-56	-74.3	0	0	0	113.8	E38 A191 V192 A195 T272	E38-F274 HydrophobicContact CG-CE2 4.11Å; E38-F274 HydrophobicContact CG-CZ 4.29Å; A191-F274 CarbonylContact C-O 3.56Å; A191-F274 HydrophobicContact CB-CB 4.22Å; A191-F274 WeakPolarHBondContact CB-O 3.29Å; V192-F274 HydrophobicContact CB-CB 4.48Å; V192-F274 HydrophobicContact CB-CD1 4.47Å; V192-F274 HydrophobicContact CB-CG 4.33Å; V192-F274 HydrophobicContact CG1-CD1 4.42Å; V192-F274 HydrophobicContact CG2-CB 3.92Å; V192-F274 HydrophobicContact CG2-CD1 4.16Å; V192-F274 HydrophobicContact CG2-CD2 3.74Å; V192-F274 HydrophobicContact CG2-CE2 4.33Å; V192-F274 HydrophobicContact CG2-CG 3.65Å; A195-F274 HydrophobicContact CB-CB 4.45Å; A195-F274 HydrophobicContact CB-CD1 4.26Å; T272-F274 VanDerWaalsContact C-N 3.27Å; T272-F274 PolarHBondContact O-N 3.11Å
275	Q	57.7	Low	54.3	Low	96 Å²	96	83.6 Å²	83.6	45%	0.449	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-34.8	179.5	-79.5	174.7	55.3	0	0	112.6	R194 P271 T272	R194-Q275 PolarHBondContact NH2-O 3.45Å; P271-Q275 WeakPolarHBondContact O-CG 3.25Å; P271-Q275 PolarHBondContact O-NE2 3.44Å; T272-Q275 PolarHBondContact O-N 2.91Å
276	L	57.1	Low	55.5	Low	42 Å²	42	81.5 Å²	81.5	22%	0.22	41%	0.414	C	S	.	.	S	Bend	trans	-133.5	141.1	-175	-62.5	173.3	0	0	0	108.7	E280 M281	L276-E280 WeakPolarHBondContact CA-OE2 3.33Å; L276-E280 HydrophobicContact CB-CB 3.88Å; L276-E280 HydrophobicContact CD2-CB 4.08Å; L276-M281 HydrophobicContact CB-CG 3.68Å; L276-M281 HydrophobicContact CD1-CG 4.29Å
277	T	64.6	Low	56.9	Low	6 Å²	6	80.6 Å²	80.6	4%	0.037	40%	0.403	C	S	.	.			trans	-64.7	162.2	167	77.9	0	0	0	0	110.3	V198 F279 E280 M281	V198-T277 HydrophobicContact CB-CG2 4.11Å; V198-T277 HydrophobicContact CG1-CG2 3.72Å; T277-F279 PolarHBondContact O-N 2.85Å; T277-E280 PolarHBondContact N-OE2 3.42Å; T277-E280 CarbonylContact O-C 3.57Å; T277-E280 WeakPolarHBondContact O-CA 3.34Å; T277-E280 WeakPolarHBondContact O-CB 3.31Å; T277-E280 PolarHBondContact O-N 3.49Å; T277-E280 WeakPolarHBondContact OG1-CG 3.3Å; T277-E280 PolarHBondContact OG1-N 3.46Å; T277-E280 VanDerWaalsContact OG1-N 3.16Å; T277-M281 WeakPolarHBondContact O-CG 3.31Å; T277-M281 PolarHBondContact O-N 2.61Å
278	P	64.4	Low	58.1	Low	5 Å²	5	76.1 Å²	76.1	3%	0.032	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-30.6	179.7	-18.7	32.8	0	0	0	111.9	M250 L253 R254 L282	M250-P278 HydrophobicContact CB-CG 4.4Å; M250-P278 HydrophobicContact CE-CB 4.48Å; M250-P278 HydrophobicContact CE-CG 3.69Å; M250-P278 HydrophobicContact SD-CB 4.4Å; M250-P278 HydrophobicContact SD-CG 3.98Å; L253-P278 HydrophobicContact CB-CB 3.62Å; L253-P278 HydrophobicContact CD1-CB 4.36Å; R254-P278 HydrophobicContact CG-CB 4.31Å; R254-P278 HydrophobicContact CG-CG 3.7Å; P278-L282 WeakPolarHBondContact O-CB 3.39Å; P278-L282 PolarHBondContact O-N 2.87Å
279	F	63.7	Low	59.5	Low	107 Å²	107	78.3 Å²	78.3	47%	0.469	39%	0.39	S	S	.	.	H	α-helix	trans	-66.5	-45.5	169.3	173.7	-102.2	0	0	0	112.4	T277 L282 M283	T277-F279 PolarHBondContact O-N 2.85Å; F279-L282 PolarHBondContact O-N 3.14Å; F279-M283 HydrophobicContact CD1-CG 4.23Å; F279-M283 HydrophobicContact CD2-CG 4.07Å; F279-M283 HydrophobicContact CE1-CG 3.82Å; F279-M283 HydrophobicContact CE2-CG 3.63Å; F279-M283 HydrophobicContact CE2-SD 4.03Å; F279-M283 HydrophobicContact CG-CG 4.36Å; F279-M283 HydrophobicContact CZ-CG 3.5Å; F279-M283 VanDerWaalsContact CZ-CG 3.5Å; F279-M283 HydrophobicContact CZ-SD 4.05Å; F279-M283 WeakPolarHBondContact O-CB 3.41Å; F279-M283 VanDerWaalsContact O-CG 3.25Å; F279-M283 WeakPolarHBondContact O-CG 3.44Å; F279-M283 PolarHBondContact O-N 2.9Å
280	E	69.4	Low	60.3	Low	78 Å²	78	77.5 Å²	77.5	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-64.2	-39.5	176.9	-70.3	179.2	136.4	0	0	112.4	L276 T277 M283 Q284	L276-E280 WeakPolarHBondContact CA-OE2 3.33Å; L276-E280 HydrophobicContact CB-CB 3.88Å; L276-E280 HydrophobicContact CD2-CB 4.08Å; T277-E280 PolarHBondContact N-OE2 3.42Å; T277-E280 CarbonylContact O-C 3.57Å; T277-E280 WeakPolarHBondContact O-CA 3.34Å; T277-E280 WeakPolarHBondContact O-CB 3.31Å; T277-E280 PolarHBondContact O-N 3.49Å; T277-E280 WeakPolarHBondContact OG1-CG 3.3Å; T277-E280 PolarHBondContact OG1-N 3.46Å; T277-E280 VanDerWaalsContact OG1-N 3.16Å; E280-M283 PolarHBondContact O-N 3.44Å; E280-Q284 VanDerWaalsContact O-CB 3.28Å; E280-Q284 WeakPolarHBondContact O-CB 3.5Å; E280-Q284 PolarHBondContact O-N 2.99Å
281	M	66.8	Low	61.5	Low	46 Å²	46	78.9 Å²	78.9	23%	0.227	38%	0.379	C	S	.	.	H	α-helix	trans	-56.9	-53.8	171.5	-68.1	173.3	61.5	0	0	110.7	L276 T277 M283 Q284 D285	L276-M281 HydrophobicContact CB-CG 3.68Å; L276-M281 HydrophobicContact CD1-CG 4.29Å; T277-M281 WeakPolarHBondContact O-CG 3.31Å; T277-M281 PolarHBondContact O-N 2.61Å; M281-M283 PolarHBondContact O-N 2.94Å; M281-Q284 WeakPolarHBondContact O-CB 3.36Å; M281-Q284 PolarHBondContact O-N 3.29Å; M281-Q284 VanDerWaalsContact O-N 3.17Å; M281-D285 PolarHBondContact O-N 3.33Å
282	L	66.6	Low	61.9	Low	93 Å²	93	86.2 Å²	86.2	49%	0.487	41%	0.406	S	S	.	.	H	α-helix	trans	-59.9	-44.1	178.4	177.6	61.9	0	0	0	112	P278 F279 Q284 D285 I286	P278-L282 WeakPolarHBondContact O-CB 3.39Å; P278-L282 PolarHBondContact O-N 2.87Å; F279-L282 PolarHBondContact O-N 3.14Å; L282-Q284 VanDerWaalsContact C-N 3.32Å; L282-Q284 PolarHBondContact O-N 2.92Å; L282-D285 PolarHBondContact O-N 3.25Å; L282-I286 HydrophobicContact CD1-CD1 4.1Å; L282-I286 HydrophobicContact CD1-CG1 4.38Å; L282-I286 HydrophobicContact CG-CD1 3.93Å; L282-I286 WeakPolarHBondContact O-CB 3.3Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.46Å; L282-I286 PolarHBondContact O-N 2.97Å
283	M	66.3	Low	62.2	Low	27 Å²	27	88.5 Å²	88.5	13%	0.133	41%	0.414	C	S	.	.	H	α-helix	trans	-66.3	-34.2	177.6	-73.1	-61.7	-72.2	0	0	112.1	F279 E280 M281 I286 R287	F279-M283 HydrophobicContact CD1-CG 4.23Å; F279-M283 HydrophobicContact CD2-CG 4.07Å; F279-M283 HydrophobicContact CE1-CG 3.82Å; F279-M283 HydrophobicContact CE2-CG 3.63Å; F279-M283 HydrophobicContact CE2-SD 4.03Å; F279-M283 HydrophobicContact CG-CG 4.36Å; F279-M283 HydrophobicContact CZ-CG 3.5Å; F279-M283 VanDerWaalsContact CZ-CG 3.5Å; F279-M283 HydrophobicContact CZ-SD 4.05Å; F279-M283 WeakPolarHBondContact O-CB 3.41Å; F279-M283 VanDerWaalsContact O-CG 3.25Å; F279-M283 WeakPolarHBondContact O-CG 3.44Å; F279-M283 PolarHBondContact O-N 2.9Å; E280-M283 PolarHBondContact O-N 3.44Å; M281-M283 PolarHBondContact O-N 2.94Å; M283-I286 HydrophobicContact SD-CD1 4.29Å; M283-R287 WeakPolarHBondContact O-CB 3.45Å; M283-R287 VanDerWaalsContact O-CD 3.29Å; M283-R287 WeakPolarHBondContact O-CD 3.39Å; M283-R287 WeakPolarHBondContact O-CG 3.33Å; M283-R287 PolarHBondContact O-N 3.44Å
284	Q	65.6	Low	62.2	Low	102 Å²	102	96 Å²	96	48%	0.477	44%	0.439	S	S	.	.	H	α-helix	trans	-67.1	-44.5	172.6	-179.9	161.8	-38.6	0	0	111.4	E280 M281 L282 I286 R287 A288	E280-Q284 VanDerWaalsContact O-CB 3.28Å; E280-Q284 WeakPolarHBondContact O-CB 3.5Å; E280-Q284 PolarHBondContact O-N 2.99Å; M281-Q284 WeakPolarHBondContact O-CB 3.36Å; M281-Q284 PolarHBondContact O-N 3.29Å; M281-Q284 VanDerWaalsContact O-N 3.17Å; L282-Q284 VanDerWaalsContact C-N 3.32Å; L282-Q284 PolarHBondContact O-N 2.92Å; Q284-I286 PolarHBondContact O-N 2.86Å; Q284-R287 PolarHBondContact O-N 3Å; Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 2.65Å
285	D	63.2	Low	62.3	Low	70 Å²	70	101.7 Å²	101.7	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-65.7	-35.9	176.2	-82.6	-19.9	0	0	0	112.9	M281 L282 R289 N290	M281-D285 PolarHBondContact O-N 3.33Å; L282-D285 PolarHBondContact O-N 3.25Å; D285-R289 CarbonylContact O-C 3.59Å; D285-R289 WeakPolarHBondContact O-CA 3.22Å; D285-R289 PolarHBondContact O-N 2.78Å; D285-N290 HydrophobicContact CB-CB 4Å; D285-N290 PolarHBondContact O-N 2.9Å; D285-N290 VanDerWaalsContact OD1-CB 3.25Å; D285-N290 WeakPolarHBondContact OD1-CB 3.49Å; D285-N290 PolarHBondContact OD1-ND2 3.06Å
286	I	65.1	Low	62.1	Low	85 Å²	85	103 Å²	103	44%	0.436	48%	0.478	S	S	.	.	H	α-helix	trans	-62.8	-47.9	171.3	-70.6	165.6	0	0	0	110.7	L282 M283 Q284 R289	L282-I286 HydrophobicContact CD1-CD1 4.1Å; L282-I286 HydrophobicContact CD1-CG1 4.38Å; L282-I286 HydrophobicContact CG-CD1 3.93Å; L282-I286 WeakPolarHBondContact O-CB 3.3Å; L282-I286 VanDerWaalsContact O-CG1 3.24Å; L282-I286 WeakPolarHBondContact O-CG1 3.46Å; L282-I286 PolarHBondContact O-N 2.97Å; M283-I286 HydrophobicContact SD-CD1 4.29Å; Q284-I286 PolarHBondContact O-N 2.86Å; I286-R289 PolarHBondContact O-N 3.5Å
287	R	67.5	Low	61.9	Low	175 Å²	175	105.8 Å²	105.8	66%	0.66	49%	0.491	S	S	*	.	H	α-helix	trans	-64	-42.3	178.6	-70.8	162.9	-168.3	153.3	1.8	112.1	M283 Q284 R289	M283-R287 WeakPolarHBondContact O-CB 3.45Å; M283-R287 VanDerWaalsContact O-CD 3.29Å; M283-R287 WeakPolarHBondContact O-CD 3.39Å; M283-R287 WeakPolarHBondContact O-CG 3.33Å; M283-R287 PolarHBondContact O-N 3.44Å; Q284-R287 PolarHBondContact O-N 3Å; R287-R289 VanDerWaalsContact C-N 3.28Å; R287-R289 PolarHBondContact O-N 2.9Å
288	A	65.3	Low	61.6	Low	54 Å²	54	109.6 Å²	109.6	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-75.3	-15.2	178.1	0	0	0	0	0	113.3	Q284 N290	Q284-A288 WeakPolarHBondContact O-CB 3.49Å; Q284-A288 PolarHBondContact O-N 2.65Å; A288-N290 VanDerWaalsContact C-N 3.31Å
289	R	63.2	Low	61	Low	195 Å²	195	117.2 Å²	117.2	74%	0.736	55%	0.554	S	S	*	*	T	Hydrogen-bonded Turn	trans	63.6	31.8	-172.9	-51	177.7	178.7	-179	-1.6	113.5	D285 I286 R287 Y291	D285-R289 CarbonylContact O-C 3.59Å; D285-R289 WeakPolarHBondContact O-CA 3.22Å; D285-R289 PolarHBondContact O-N 2.78Å; I286-R289 PolarHBondContact O-N 3.5Å; R287-R289 VanDerWaalsContact C-N 3.28Å; R287-R289 PolarHBondContact O-N 2.9Å; R289-Y291 HydrophobicContact CB-CE1 4.16Å; R289-Y291 HydrophobicContact CG-CE1 4.4Å; R289-Y291 PolarHBondContact O-N 2.75Å
290	N	60	Low	60.4	Low	108 Å²	108	115 Å²	115	58%	0.578	56%	0.561	S	S	*	*			trans	-74.3	27.6	178.2	-69.2	-15.1	0	0	0	113.3	D285 A288	D285-N290 HydrophobicContact CB-CB 4Å; D285-N290 PolarHBondContact O-N 2.9Å; D285-N290 VanDerWaalsContact OD1-CB 3.25Å; D285-N290 WeakPolarHBondContact OD1-CB 3.49Å; D285-N290 PolarHBondContact OD1-ND2 3.06Å; A288-N290 VanDerWaalsContact C-N 3.31Å
291	Y	62.5	Low	59.6	Low	123 Å²	123	117.1 Å²	117.1	48%	0.482	58%	0.575	S	S	.	*			trans	-113.7	140.1	-175.9	57.8	-102.7	0	0	0	111.9	R289 L293	R289-Y291 HydrophobicContact CB-CE1 4.16Å; R289-Y291 HydrophobicContact CG-CE1 4.4Å; R289-Y291 PolarHBondContact O-N 2.75Å; Y291-L293 HydrophobicContact CD2-CD1 3.93Å; Y291-L293 HydrophobicContact CD2-CG 3.74Å; Y291-L293 HydrophobicContact CE2-CD1 3.8Å; Y291-L293 HydrophobicContact CE2-CG 4.15Å
292	K	56.1	Low	58.5	Low	198 Å²	198	119.6 Å²	119.6	86%	0.861	59%	0.588	S	S	*	*			trans	-115.1	74.5	172.8	-163.7	174	-175.5	176.3	0	110.2	R294	K292-R294 PolarHBondContact O-N 3.5Å
293	L	54.1	Low	57.9	Low	133 Å²	133	117.5 Å²	117.5	70%	0.696	58%	0.58	S	S	*	*			trans	-53.9	132.2	175.2	-69	170.5	0	0	0	110.2	Y291 K295	Y291-L293 HydrophobicContact CD2-CD1 3.93Å; Y291-L293 HydrophobicContact CD2-CG 3.74Å; Y291-L293 HydrophobicContact CE2-CD1 3.8Å; Y291-L293 HydrophobicContact CE2-CG 4.15Å; L293-K295 PolarHBondContact O-N 3.3Å; L293-K295 VanDerWaalsContact O-N 3.08Å
294	R	53.2	Low	57.1	Low	245 Å²	245	121.9 Å²	121.9	93%	0.925	61%	0.611	S	S	*	*			trans	-61.7	114.1	170.6	-68	-172.6	-177.9	-144.7	4	107.8	K292 V296	K292-R294 PolarHBondContact O-N 3.5Å; R294-V296 PolarHBondContact O-N 3.1Å
295	K	55.2	Low	56.2	Low	148 Å²	148	125.8 Å²	125.8	64%	0.643	62%	0.621	S	S	*	*			trans	-67.4	117.8	170.4	-64.2	-177.4	-177.4	178	0	106.9	L293 M297 I302	L293-K295 PolarHBondContact O-N 3.3Å; L293-K295 VanDerWaalsContact O-N 3.08Å; K295-M297 PolarHBondContact O-N 3.29Å; K295-I302 HydrophobicContact CD-CD1 3.9Å; K295-I302 HydrophobicContact CD-CG1 4.42Å
296	V	54.7	Low	55.5	Low	124 Å²	124	129.2 Å²	129.2	75%	0.752	64%	0.644	S	S	*	*			trans	-66	107.8	171.4	-179.1	0	0	0	0	107.1	R294	R294-V296 PolarHBondContact O-N 3.1Å
297	M	51.8	Low	54.8	Low	100 Å²	100	131.9 Å²	131.9	49%	0.493	65%	0.653	S	S	.	*			trans	-98.1	144.1	175.7	-66.8	173.4	67.3	0	0	108.3	K295 G300 I302	K295-M297 PolarHBondContact O-N 3.29Å; M297-G300 WeakPolarHBondContact CE-O 3.33Å; M297-I302 HydrophobicContact CE-CG1 4.49Å; M297-I302 HydrophobicContact CG-CG1 4.28Å
298	V	58.1	Low	54.2	Low	86 Å²	86	127.7 Å²	127.7	52%	0.521	64%	0.639	S	S	.	*	B	Isolated β-bridge	trans	-122	124.5	173	-177.3	0	0	0	0	105.7	G300 D301 P303	V298-G300 PolarHBondContact O-N 3.15Å; V298-G300 VanDerWaalsContact O-N 3.14Å; V298-D301 PolarHBondContact N-O 3.09Å; V298-D301 PolarHBondContact O-N 3.48Å; V298-P303 HydrophobicContact CG2-CG 4.42Å
299	D	53	Low	53.8	Low	165 Å²	165	130 Å²	130	88%	0.882	64%	0.644	S	S	*	*	T	Hydrogen-bonded Turn	trans	52.7	33.2	178.5	-53.3	-35.4	0	0	0	115.8	D301	D299-D301 VanDerWaalsContact C-N 3.35Å; D299-D301 PolarHBondContact O-N 3.36Å
300	G	51.5	Low	53.3	Low	59 Å²	59	123.7 Å²	123.7	61%	0.608	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	89.3	-11.6	173.3	0	0	0	0	0	115.4	M297 V298	M297-G300 WeakPolarHBondContact CE-O 3.33Å; V298-G300 PolarHBondContact O-N 3.15Å; V298-G300 VanDerWaalsContact O-N 3.14Å
301	D	51.3	Low	52.8	Low	124 Å²	124	123 Å²	123	66%	0.663	63%	0.627	S	S	*	*	B	Isolated β-bridge	trans	-95.5	150.3	173.1	-84.6	-41.2	0	0	0	112.1	V298 D299 P303	V298-D301 PolarHBondContact N-O 3.09Å; V298-D301 PolarHBondContact O-N 3.48Å; D299-D301 VanDerWaalsContact C-N 3.35Å; D299-D301 PolarHBondContact O-N 3.36Å; D301-P303 WeakPolarHBondContact O-CD 3.29Å
302	I	43.8	Very low	53.1	Low	98 Å²	98	121.1 Å²	121.1	50%	0.503	62%	0.622	S	S	.	*			trans	-79.4	113.8	162.4	-60.4	171.7	0	0	0	106	K295 M297	K295-I302 HydrophobicContact CD-CD1 3.9Å; K295-I302 HydrophobicContact CD-CG1 4.42Å; M297-I302 HydrophobicContact CE-CG1 4.49Å; M297-I302 HydrophobicContact CG-CG1 4.28Å
303	P	53.8	Low	53.5	Low	48 Å²	48	116.6 Å²	116.6	31%	0.312	61%	0.607	S	S	.	*			trans	-55.1	137.1	-176.3	-26.4	35.5	0	0	0	110.8	V298 D301 R305	V298-P303 HydrophobicContact CG2-CG 4.42Å; D301-P303 WeakPolarHBondContact O-CD 3.29Å; P303-R305 PolarHBondContact O-N 3.03Å
304	P	51.2	Low	54.2	Low	119 Å²	119	115 Å²	115	77%	0.773	60%	0.598	S	S	*	*	S	Bend	trans	-68.8	79.6	-172.7	25.7	-34	0	0	0	112.3
305	R	46	Very low	54.7	Low	184 Å²	184	105.7 Å²	105.7	69%	0.694	57%	0.566	S	S	*	*			trans	69	137	-165.3	-25.7	-143.9	-55.8	-137.9	15.3	113.2	P303 K307	P303-R305 PolarHBondContact O-N 3.03Å; R305-K307 HydrophobicContact CB-CB 3.84Å; R305-K307 HydrophobicContact CB-CD 4.02Å; R305-K307 HydrophobicContact CB-CG 3.8Å; R305-K307 HydrophobicContact CG-CD 3.98Å; R305-K307 HydrophobicContact CG-CG 4.2Å; R305-K307 VanDerWaalsContact CZ-CE 3.5Å; R305-K307 PolarHBondContact O-N 3.14Å
306	V	48.4	Very low	55.4	Low	143 Å²	143	101.2 Å²	101.2	87%	0.867	55%	0.549	S	S	*	.			trans	-62.5	78.9	144.9	-177.9	0	0	0	0	106.1
307	K	49.9	Very low	56	Low	141 Å²	141	100.9 Å²	100.9	61%	0.613	54%	0.538	S	S	*	.			trans	-100	-26.3	-170.9	-133.5	168.3	-175.5	166.8	0	112.1	R305	R305-K307 HydrophobicContact CB-CB 3.84Å; R305-K307 HydrophobicContact CB-CD 4.02Å; R305-K307 HydrophobicContact CB-CG 3.8Å; R305-K307 HydrophobicContact CG-CD 3.98Å; R305-K307 HydrophobicContact CG-CG 4.2Å; R305-K307 VanDerWaalsContact CZ-CE 3.5Å; R305-K307 PolarHBondContact O-N 3.14Å
308	K	55.1	Low	56.8	Low	87 Å²	87	101.4 Å²	101.4	38%	0.378	54%	0.542	S	S	.	.	S	Bend	trans	-101.2	131.7	167.2	-74.1	-168.5	159.1	-174.5	0	107	E312 L313 D316	K308-E312 HydrophobicContact CB-CB 4.01Å; K308-E312 HydrophobicContact CD-CB 4.41Å; K308-E312 WeakPolarHBondContact CE-OE2 3.35Å; K308-E312 HydrophobicContact CG-CB 4.38Å; K308-L313 HydrophobicContact CB-CD2 4.06Å; K308-L313 HydrophobicContact CB-CG 4Å; K308-L313 HydrophobicContact CD-CD2 4.08Å; K308-D316 IonicContact NZ-OD2 3.14Å; K308-D316 PolarHBondContact NZ-OD2 3.27Å
309	D	56.7	Low	57.3	Low	103 Å²	103	104.2 Å²	104.2	55%	0.551	54%	0.543	S	S	*	.			trans	-52.9	148.5	167.4	-172.7	-11.5	0	0	0	109.4	H311 E312 L313	D309-H311 HydrophobicContact CB-CB 4.21Å; D309-H311 PolarHBondContact O-N 2.83Å; D309-H311 PolarHBondContact OD1-N 3.09Å; D309-H311 WeakPolarHBondContact OD2-CB 3.26Å; D309-E312 HydrophobicContact CB-CB 4.46Å; D309-E312 HydrophobicContact CB-CG 4.47Å; D309-E312 WeakPolarHBondContact O-CB 3.47Å; D309-E312 PolarHBondContact O-N 2.84Å; D309-L313 PolarHBondContact O-N 3.27Å
310	A	52	Low	57.5	Low	61 Å²	61	100.6 Å²	100.6	50%	0.504	53%	0.531	S	S	.	.	H	α-helix	trans	-53	-34.5	167.7	0	0	0	0	0	110.4	L313 I314	A310-L313 PolarHBondContact O-N 3.06Å; A310-I314 WeakPolarHBondContact O-CB 3.45Å; A310-I314 WeakPolarHBondContact O-CD1 3.49Å; A310-I314 VanDerWaalsContact O-CG1 3.24Å; A310-I314 WeakPolarHBondContact O-CG1 3.2Å; A310-I314 PolarHBondContact O-N 2.93Å
311	H	49.7	Very low	57.9	Low	95 Å²	95	104.4 Å²	104.4	44%	0.44	53%	0.526	S	S	.	.	H	α-helix	trans	-58.6	-44.2	171.5	-164.4	-27.7	0	0	0	113	D309 L315	D309-H311 HydrophobicContact CB-CB 4.21Å; D309-H311 PolarHBondContact O-N 2.83Å; D309-H311 PolarHBondContact OD1-N 3.09Å; D309-H311 WeakPolarHBondContact OD2-CB 3.26Å; H311-L315 VanDerWaalsContact CE1-CD1 3.42Å; H311-L315 WeakPolarHBondContact CE1-CD1 3.39Å; H311-L315 WeakPolarHBondContact ND1-CD1 3.21Å; H311-L315 WeakPolarHBondContact ND1-CG 3.38Å; H311-L315 WeakPolarHBondContact O-CB 3.4Å; H311-L315 WeakPolarHBondContact O-CG 3.5Å; H311-L315 PolarHBondContact O-N 3.29Å
312	E	68.9	Low	58	Low	83 Å²	83	103.4 Å²	103.4	39%	0.388	53%	0.527	S	S	.	.	H	α-helix	trans	-67.8	-38.7	177.4	-82.4	-128.8	132.8	0	0	112.2	K308 D309 L315 D316	K308-E312 HydrophobicContact CB-CB 4.01Å; K308-E312 HydrophobicContact CD-CB 4.41Å; K308-E312 WeakPolarHBondContact CE-OE2 3.35Å; K308-E312 HydrophobicContact CG-CB 4.38Å; D309-E312 HydrophobicContact CB-CB 4.46Å; D309-E312 HydrophobicContact CB-CG 4.47Å; D309-E312 WeakPolarHBondContact O-CB 3.47Å; D309-E312 PolarHBondContact O-N 2.84Å; E312-L315 PolarHBondContact O-N 2.96Å; E312-D316 WeakPolarHBondContact O-CB 3.45Å; E312-D316 PolarHBondContact O-N 2.94Å
313	L	64.9	Low	58.7	Low	102 Å²	102	104.8 Å²	104.8	53%	0.534	54%	0.542	S	S	.	.	H	α-helix	trans	-67.5	-41	178.2	-67	172.8	0	0	0	111.7	K308 D309 A310 D316 F317	K308-L313 HydrophobicContact CB-CD2 4.06Å; K308-L313 HydrophobicContact CB-CG 4Å; K308-L313 HydrophobicContact CD-CD2 4.08Å; D309-L313 PolarHBondContact O-N 3.27Å; A310-L313 PolarHBondContact O-N 3.06Å; L313-D316 PolarHBondContact O-N 3.38Å; L313-F317 WeakPolarHBondContact O-CB 3.45Å; L313-F317 PolarHBondContact O-N 3.31Å
314	I	68.6	Low	58.6	Low	100 Å²	100	108.5 Å²	108.5	51%	0.513	56%	0.559	S	S	.	*	H	α-helix	trans	-64.6	-42.3	173	-68.5	164.7	0	0	0	110.4	A310 F317 I318	A310-I314 WeakPolarHBondContact O-CB 3.45Å; A310-I314 WeakPolarHBondContact O-CD1 3.49Å; A310-I314 VanDerWaalsContact O-CG1 3.24Å; A310-I314 WeakPolarHBondContact O-CG1 3.2Å; A310-I314 PolarHBondContact O-N 2.93Å; I314-F317 WeakPolarHBondContact O-CB 3.29Å; I314-F317 PolarHBondContact O-N 3.06Å; I314-I318 HydrophobicContact CG2-CD1 3.81Å; I314-I318 VanDerWaalsContact O-CG1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.06Å; I314-I318 PolarHBondContact O-N 3.36Å
315	L	64.8	Low	58.7	Low	49 Å²	49	110 Å²	110	26%	0.257	55%	0.553	S	S	.	*	H	α-helix	trans	-63.8	-45.1	176.1	-77.8	171	0	0	0	112.2	H311 E312 F317 I318 R319	H311-L315 VanDerWaalsContact CE1-CD1 3.42Å; H311-L315 WeakPolarHBondContact CE1-CD1 3.39Å; H311-L315 WeakPolarHBondContact ND1-CD1 3.21Å; H311-L315 WeakPolarHBondContact ND1-CG 3.38Å; H311-L315 WeakPolarHBondContact O-CB 3.4Å; H311-L315 WeakPolarHBondContact O-CG 3.5Å; H311-L315 PolarHBondContact O-N 3.29Å; E312-L315 PolarHBondContact O-N 2.96Å; L315-F317 VanDerWaalsContact C-N 3.29Å; L315-F317 PolarHBondContact O-N 3.16Å; L315-I318 PolarHBondContact O-N 3Å; L315-R319 WeakPolarHBondContact O-CB 3.44Å; L315-R319 VanDerWaalsContact O-CD 3.31Å; L315-R319 WeakPolarHBondContact O-CD 3.46Å; L315-R319 WeakPolarHBondContact O-CG 3.49Å; L315-R319 PolarHBondContact O-N 2.71Å
316	D	68.5	Low	59.2	Low	54 Å²	54	107.8 Å²	107.8	29%	0.289	55%	0.551	S	S	.	*	H	α-helix	trans	-65.8	-32.9	176.5	-78.2	-4.6	0	0	0	111.8	K308 E312 L313 R319 S320	K308-D316 IonicContact NZ-OD2 3.14Å; K308-D316 PolarHBondContact NZ-OD2 3.27Å; E312-D316 WeakPolarHBondContact O-CB 3.45Å; E312-D316 PolarHBondContact O-N 2.94Å; L313-D316 PolarHBondContact O-N 3.38Å; D316-R319 PolarHBondContact O-N 2.98Å; D316-R319 IonicContact OD1-CZ 2.76Å; D316-R319 IonicContact OD1-NH1 3.32Å; D316-R319 PolarHBondContact OD1-NH1 3.15Å; D316-S320 WeakPolarHBondContact O-CB 3.39Å; D316-S320 PolarHBondContact O-N 3.19Å; D316-S320 PolarHBondContact O-OG 3.48Å
317	F	68.1	Low	59.3	Low	117 Å²	117	106.2 Å²	106.2	51%	0.513	54%	0.541	S	S	.	.	H	α-helix	trans	-66.3	-37.8	170.7	-174.7	-110.9	0	0	0	113	L313 I314 L315 S320 R321	L313-F317 WeakPolarHBondContact O-CB 3.45Å; L313-F317 PolarHBondContact O-N 3.31Å; I314-F317 WeakPolarHBondContact O-CB 3.29Å; I314-F317 PolarHBondContact O-N 3.06Å; L315-F317 VanDerWaalsContact C-N 3.29Å; L315-F317 PolarHBondContact O-N 3.16Å; F317-S320 PolarHBondContact O-OG 3.02Å; F317-R321 WeakPolarHBondContact O-CG 3.48Å
318	I	69	Low	60	Low	112 Å²	112	104.3 Å²	104.3	57%	0.574	55%	0.545	S	S	*	.	H	α-helix	trans	-70.4	-41.3	174.5	-69.2	164.6	0	0	0	110.9	I314 L315	I314-I318 HydrophobicContact CG2-CD1 3.81Å; I314-I318 VanDerWaalsContact O-CG1 3.26Å; I314-I318 WeakPolarHBondContact O-CG1 3.06Å; I314-I318 PolarHBondContact O-N 3.36Å; L315-I318 PolarHBondContact O-N 3Å
319	R	68.5	Low	60.4	Low	145 Å²	145	105.7 Å²	105.7	55%	0.547	55%	0.553	S	S	.	*	H	α-helix	trans	-72.4	-32.5	-179.1	-69	160.4	-177.8	160	-4.4	113.5	L315 D316	L315-R319 WeakPolarHBondContact O-CB 3.44Å; L315-R319 VanDerWaalsContact O-CD 3.31Å; L315-R319 WeakPolarHBondContact O-CD 3.46Å; L315-R319 WeakPolarHBondContact O-CG 3.49Å; L315-R319 PolarHBondContact O-N 2.71Å; D316-R319 PolarHBondContact O-N 2.98Å; D316-R319 IonicContact OD1-CZ 2.76Å; D316-R319 IonicContact OD1-NH1 3.32Å; D316-R319 PolarHBondContact OD1-NH1 3.15Å
320	S	57.5	Low	60.9	Low	89 Å²	89	106.3 Å²	106.3	62%	0.622	55%	0.548	S	S	*	.	H	α-helix	trans	-81.7	-13.8	-177.5	56	0	0	0	0	114.2	D316 F317 P322	D316-S320 WeakPolarHBondContact O-CB 3.39Å; D316-S320 PolarHBondContact O-N 3.19Å; D316-S320 PolarHBondContact O-OG 3.48Å; F317-S320 PolarHBondContact O-OG 3.02Å; S320-P322 WeakPolarHBondContact O-CD 3.47Å
321	R	59.4	Low	61.3	Low	138 Å²	138	115.3 Å²	115.3	52%	0.521	57%	0.569	S	S	.	*	S	Bend	trans	-72.3	127.5	172.7	-62.9	-118.5	-167.9	174.5	7.9	109.8	F317	F317-R321 WeakPolarHBondContact O-CG 3.48Å
322	P	54.2	Low	61.4	Low	103 Å²	103	118.1 Å²	118.1	67%	0.669	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-56	146.8	166.5	-21.8	32.6	0	0	0	110.3	S320 L324	S320-P322 WeakPolarHBondContact O-CD 3.47Å; P322-L324 PolarHBondContact O-N 3.46Å
323	P	58.3	Low	60.8	Low	127 Å²	127	125.4 Å²	125.4	83%	0.825	61%	0.61	S	S	*	*	P	Polyproline II helix	trans	-54.5	119.8	178.6	22	-32.8	0	0	0	110	K325	P323-K325 PolarHBondContact O-N 3.42Å; P323-K325 VanDerWaalsContact O-N 3.16Å
324	L	51.4	Low	60.6	Low	127 Å²	127	126.2 Å²	126.2	67%	0.665	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-61.5	120.7	-173.7	-63.6	172.4	0	0	0	109.8	P322	P322-L324 PolarHBondContact O-N 3.46Å
325	K	52.2	Low	59.7	Low	150 Å²	150	128.5 Å²	128.5	65%	0.652	63%	0.634	S	S	*	*	P	Polyproline II helix	trans	-46.8	150.6	175.9	-70.2	-166.5	178.4	-172.1	0	112.2	P323 E329 R330	P323-K325 PolarHBondContact O-N 3.42Å; P323-K325 VanDerWaalsContact O-N 3.16Å; K325-E329 HydrophobicContact CB-CB 4.29Å; K325-E329 WeakPolarHBondContact CB-OE2 3.34Å; K325-R330 VanDerWaalsContact O-CZ 3.25Å; K325-R330 PolarHBondContact O-NE 2.96Å; K325-R330 PolarHBondContact O-NH2 3.27Å
326	Q	57.8	Low	59.2	Low	137 Å²	137	130.9 Å²	130.9	64%	0.64	65%	0.653	S	S	*	*	P	Polyproline II helix	trans	-60.2	146.4	-176.4	-163	170.1	-3.2	0	0	109.7	S328 E329	Q326-S328 PolarHBondContact O-N 2.97Å; Q326-S328 VanDerWaalsContact O-N 3.11Å; Q326-E329 HydrophobicContact CB-CG 4.21Å; Q326-E329 PolarHBondContact N-OE2 3.2Å; Q326-E329 VanDerWaalsContact N-OE2 3.11Å; Q326-E329 WeakPolarHBondContact O-CA 3.31Å; Q326-E329 WeakPolarHBondContact O-CB 3.39Å; Q326-E329 PolarHBondContact O-N 3.01Å
327	V	49.6	Very low	58.9	Low	111 Å²	111	134.2 Å²	134.2	67%	0.673	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-57	-34.1	-172.4	176.1	0	0	0	0	112.1	E329 R330	V327-E329 PolarHBondContact O-N 3.4Å; V327-R330 PolarHBondContact O-N 2.78Å
328	S	64.7	Low	58.2	Low	100 Å²	100	137.8 Å²	137.8	70%	0.699	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-59.9	-23.3	172.4	45.4	0	0	0	0	115.2	Q326	Q326-S328 PolarHBondContact O-N 2.97Å; Q326-S328 VanDerWaalsContact O-N 3.11Å
329	E	63.9	Low	57.8	Low	117 Å²	117	141.5 Å²	141.5	55%	0.547	71%	0.707	S	S	.	*	G	3₁₀ helix	trans	-95.4	-5	-179.6	-56.1	175.9	146.5	0	0	112.3	K325 Q326 V327 R331	K325-E329 HydrophobicContact CB-CB 4.29Å; K325-E329 WeakPolarHBondContact CB-OE2 3.34Å; Q326-E329 HydrophobicContact CB-CG 4.21Å; Q326-E329 PolarHBondContact N-OE2 3.2Å; Q326-E329 VanDerWaalsContact N-OE2 3.11Å; Q326-E329 WeakPolarHBondContact O-CA 3.31Å; Q326-E329 WeakPolarHBondContact O-CB 3.39Å; Q326-E329 PolarHBondContact O-N 3.01Å; V327-E329 PolarHBondContact O-N 3.4Å; E329-R331 PolarHBondContact O-N 3.46Å
330	R	66.3	Low	57.7	Low	115 Å²	115	143.3 Å²	143.3	43%	0.434	71%	0.714	S	S	.	*			trans	-91.1	101.2	179.9	-57.8	-178.9	-163	176.5	7.8	109.3	K325 V327 L332	K325-R330 VanDerWaalsContact O-CZ 3.25Å; K325-R330 PolarHBondContact O-NE 2.96Å; K325-R330 PolarHBondContact O-NH2 3.27Å; V327-R330 PolarHBondContact O-N 2.78Å; R330-L332 PolarHBondContact O-N 2.99Å
331	R	61	Low	58.6	Low	251 Å²	251	141.5 Å²	141.5	95%	0.947	70%	0.702	S	S	*	*			trans	-66.8	102.5	162.5	-71.2	-170	176.9	-161.7	-0.9	108.4	E329	E329-R331 PolarHBondContact O-N 3.46Å
332	L	51.6	Low	59.2	Low	154 Å²	154	141.2 Å²	141.2	81%	0.806	71%	0.71	S	S	*	*	P	Polyproline II helix	trans	-58	142.8	168.1	-63.9	174.1	0	0	0	108.6	R330	R330-L332 PolarHBondContact O-N 2.99Å
333	R	56.3	Low	60.1	Low	235 Å²	235	142.4 Å²	142.4	89%	0.887	71%	0.706	S	S	*	*	P	Polyproline II helix	trans	-59.8	146	164	-72.4	-176.8	179.9	171.4	0.1	107.9	L335	R333-L335 PolarHBondContact O-N 3.39Å
334	P	61.2	Low	61.2	Low	119 Å²	119	141.2 Å²	141.2	77%	0.773	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-48.7	137.4	168.4	-25	34.2	0	0	0	109.5
335	L	48.7	Very low	62.6	Low	148 Å²	148	140.9 Å²	140.9	78%	0.775	68%	0.683	S	S	*	*	P	Polyproline II helix	trans	-53.7	126.9	178.4	-171.6	71.4	0	0	0	108	R333	R333-L335 PolarHBondContact O-N 3.39Å
336	P	56.1	Low	63.9	Low	100 Å²	100	138 Å²	138	65%	0.649	67%	0.674	S	S	*	*	P	Polyproline II helix	trans	-52.8	134.8	174.2	-24.3	33.7	0	0	0	108.6	K338	P336-K338 PolarHBondContact O-N 3.03Å
337	P	60.5	Low	64.9	Low	124 Å²	124	135 Å²	135	81%	0.805	66%	0.661	S	S	*	*			trans	-57.4	114.6	180	23.3	-32.6	0	0	0	108.2	Q339	P337-Q339 PolarHBondContact O-N 2.9Å
338	K	53.6	Low	66.1	Low	191 Å²	191	133.9 Å²	133.9	83%	0.83	65%	0.649	S	S	*	*	P	Polyproline II helix	trans	-54.3	118.9	175.5	-93.2	-172	170.8	-173.4	0	107.4	P336 R340	P336-K338 PolarHBondContact O-N 3.03Å; K338-R340 PolarHBondContact O-N 2.95Å
339	Q	61.8	Low	66.7	Low	190 Å²	190	133.7 Å²	133.7	89%	0.888	64%	0.637	S	S	*	*	P	Polyproline II helix	trans	-63.1	122.7	165.7	-69.3	-165.3	-8.7	0	0	107.2	P337 S341	P337-Q339 PolarHBondContact O-N 2.9Å; Q339-S341 PolarHBondContact O-N 3.43Å
340	R	66.1	Low	67	Low	183 Å²	183	134 Å²	134	69%	0.691	64%	0.641	S	S	*	*	P	Polyproline II helix	trans	-58.3	132.1	-178.6	-68.1	179.6	-179.3	173	-1.7	109.5	K338 E344 K345	K338-R340 PolarHBondContact O-N 2.95Å; R340-E344 WeakPolarHBondContact CA-OE2 3.28Å; R340-K345 WeakPolarHBondContact O-CE 3.29Å
341	S	76.5	Confident	67.4	Low	52 Å²	52	135.2 Å²	135.2	36%	0.364	65%	0.65	S	S	.	*	P	Polyproline II helix	trans	-61.7	155.7	179.5	62.8	0	0	0	0	111	Q339 H343 E344 K345	Q339-S341 PolarHBondContact O-N 3.43Å; S341-H343 PolarHBondContact O-N 3.28Å; S341-E344 PolarHBondContact N-OE2 3.48Å; S341-E344 PolarHBondContact O-N 3.47Å; S341-E344 WeakPolarHBondContact OG-CB 3.37Å; S341-E344 VanDerWaalsContact OG-CG 3.29Å; S341-E344 WeakPolarHBondContact OG-CG 3.49Å; S341-E344 PolarHBondContact OG-N 3Å; S341-E344 VanDerWaalsContact OG-N 3.14Å; S341-E344 PolarHBondContact OG-OE2 2.9Å; S341-E344 VanDerWaalsContact OG-OE2 3.05Å; S341-K345 PolarHBondContact O-N 2.98Å; S341-K345 VanDerWaalsContact O-N 3.14Å
342	L	70.9	Confident	67.8	Low	131 Å²	131	129.8 Å²	129.8	69%	0.686	64%	0.635	S	S	*	*	H	α-helix	trans	-57.1	-39	173.3	-78.7	164.2	0	0	0	111.1	E344 K345 I346	L342-E344 PolarHBondContact O-N 3.18Å; L342-K345 WeakPolarHBondContact O-CB 3.44Å; L342-K345 PolarHBondContact O-N 3Å; L342-K345 VanDerWaalsContact O-N 3.16Å; L342-I346 VanDerWaalsContact O-CG1 3.3Å; L342-I346 WeakPolarHBondContact O-CG1 3.23Å; L342-I346 PolarHBondContact O-N 3.47Å
343	H	73.5	Confident	68	Low	128 Å²	128	131 Å²	131	59%	0.593	64%	0.637	S	S	*	*	H	α-helix	trans	-58.7	-44.6	174.9	-177.1	-110.8	0	0	0	113.2	S341 K345 I346 L347	S341-H343 PolarHBondContact O-N 3.28Å; H343-K345 VanDerWaalsContact C-N 3.34Å; H343-K345 PolarHBondContact O-N 3.25Å; H343-I346 PolarHBondContact O-N 2.96Å; H343-L347 WeakPolarHBondContact CE1-CD1 3.46Å; H343-L347 WeakPolarHBondContact O-CB 3.48Å; H343-L347 WeakPolarHBondContact O-CG 3.34Å; H343-L347 PolarHBondContact O-N 3.46Å
344	E	82.6	Confident	68.3	Low	102 Å²	102	128.8 Å²	128.8	48%	0.477	63%	0.628	S	S	.	*	H	α-helix	trans	-64.6	-35.7	174.5	-76.5	168.6	133	0	0	112.8	R340 S341 L342 E348	R340-E344 WeakPolarHBondContact CA-OE2 3.28Å; S341-E344 PolarHBondContact N-OE2 3.48Å; S341-E344 PolarHBondContact O-N 3.47Å; S341-E344 WeakPolarHBondContact OG-CB 3.37Å; S341-E344 VanDerWaalsContact OG-CG 3.29Å; S341-E344 WeakPolarHBondContact OG-CG 3.49Å; S341-E344 PolarHBondContact OG-N 3Å; S341-E344 VanDerWaalsContact OG-N 3.14Å; S341-E344 PolarHBondContact OG-OE2 2.9Å; S341-E344 VanDerWaalsContact OG-OE2 3.05Å; L342-E344 PolarHBondContact O-N 3.18Å; E344-E348 PolarHBondContact O-N 2.7Å
345	K	80.3	Confident	68.4	Low	120 Å²	120	134.5 Å²	134.5	52%	0.522	64%	0.635	S	S	.	*	H	α-helix	trans	-67.2	-46.3	176.5	-66.2	175.7	-175	176.1	0	111.2	R340 S341 L342 H343 E348 E349	R340-K345 WeakPolarHBondContact O-CE 3.29Å; S341-K345 PolarHBondContact O-N 2.98Å; S341-K345 VanDerWaalsContact O-N 3.14Å; L342-K345 WeakPolarHBondContact O-CB 3.44Å; L342-K345 PolarHBondContact O-N 3Å; L342-K345 VanDerWaalsContact O-N 3.16Å; H343-K345 VanDerWaalsContact C-N 3.34Å; H343-K345 PolarHBondContact O-N 3.25Å; K345-E348 PolarHBondContact O-N 2.98Å; K345-E349 WeakPolarHBondContact O-CB 3.33Å; K345-E349 PolarHBondContact O-N 3.32Å
346	I	78.3	Confident	69.1	Low	90 Å²	90	135.1 Å²	135.1	46%	0.462	64%	0.638	S	S	.	*	H	α-helix	trans	-62.7	-43.2	178.3	-68	162.7	0	0	0	110.7	L342 H343 E348 E349 I350	L342-I346 VanDerWaalsContact O-CG1 3.3Å; L342-I346 WeakPolarHBondContact O-CG1 3.23Å; L342-I346 PolarHBondContact O-N 3.47Å; H343-I346 PolarHBondContact O-N 2.96Å; I346-E348 PolarHBondContact O-N 3.05Å; I346-E349 PolarHBondContact O-N 3.38Å; I346-I350 HydrophobicContact CG2-CD1 3.74Å; I346-I350 HydrophobicContact CG2-CG1 4.44Å; I346-I350 VanDerWaalsContact O-CG1 3.27Å; I346-I350 WeakPolarHBondContact O-CG1 3.17Å; I346-I350 PolarHBondContact O-N 3.46Å
347	L	78.8	Confident	69.3	Low	73 Å²	73	141.7 Å²	141.7	38%	0.382	65%	0.649	S	S	.	*	H	α-helix	trans	-64.2	-35.5	177.4	-79.1	172.1	0	0	0	113.5	H343 K351	H343-L347 WeakPolarHBondContact CE1-CD1 3.46Å; H343-L347 WeakPolarHBondContact O-CB 3.48Å; H343-L347 WeakPolarHBondContact O-CG 3.34Å; H343-L347 PolarHBondContact O-N 3.46Å; L347-K351 VanDerWaalsContact O-CG 3.26Å; L347-K351 WeakPolarHBondContact O-CG 3.26Å; L347-K351 PolarHBondContact O-N 2.82Å
348	E	75.4	Confident	69.3	Low	89 Å²	89	141.6 Å²	141.6	42%	0.416	65%	0.649	S	S	.	*	H	α-helix	trans	-73.3	-35.5	172.3	-77.9	-65.8	120	0	0	112.2	E344 K345 I346 I350 K351 Q352	E344-E348 PolarHBondContact O-N 2.7Å; K345-E348 PolarHBondContact O-N 2.98Å; I346-E348 PolarHBondContact O-N 3.05Å; E348-I350 VanDerWaalsContact C-N 3.3Å; E348-I350 PolarHBondContact O-N 2.91Å; E348-K351 PolarHBondContact O-N 2.7Å; E348-K351 VanDerWaalsContact OE1-CD 3.32Å; E348-K351 WeakPolarHBondContact OE1-CD 3.28Å; E348-K351 IonicContact OE1-NZ 3.53Å; E348-K351 PolarHBondContact OE1-NZ 2.93Å; E348-Q352 WeakPolarHBondContact O-CG 3.4Å; E348-Q352 PolarHBondContact O-N 3.48Å
349	E	76.4	Confident	69.3	Low	96 Å²	96	139.4 Å²	139.4	45%	0.449	65%	0.651	S	S	.	*	H	α-helix	trans	-67.7	-29.5	175.6	-167.9	173.5	-169.1	0	0	112.8	K345 I346 R354	K345-E349 WeakPolarHBondContact O-CB 3.33Å; K345-E349 PolarHBondContact O-N 3.32Å; I346-E349 PolarHBondContact O-N 3.38Å; E349-R354 IonicContact OE1-CZ 2.72Å; E349-R354 IonicContact OE1-NH2 2.72Å; E349-R354 PolarHBondContact OE1-NH2 3.32Å
350	I	72.1	Confident	68.5	Low	124 Å²	124	138.5 Å²	138.5	64%	0.636	65%	0.647	S	S	*	*	H	α-helix	trans	-74.1	-36.5	171.5	-68.6	165	0	0	0	111.4	I346 E348	I346-I350 HydrophobicContact CG2-CD1 3.74Å; I346-I350 HydrophobicContact CG2-CG1 4.44Å; I346-I350 VanDerWaalsContact O-CG1 3.27Å; I346-I350 WeakPolarHBondContact O-CG1 3.17Å; I346-I350 PolarHBondContact O-N 3.46Å; E348-I350 VanDerWaalsContact C-N 3.3Å; E348-I350 PolarHBondContact O-N 2.91Å
351	K	74.5	Confident	68	Low	139 Å²	139	133.3 Å²	133.3	60%	0.604	65%	0.651	S	S	*	*	H	α-helix	trans	-73.8	-25.1	175	-71	170.9	-165.4	170.6	0	113.3	L347 E348 E353	L347-K351 VanDerWaalsContact O-CG 3.26Å; L347-K351 WeakPolarHBondContact O-CG 3.26Å; L347-K351 PolarHBondContact O-N 2.82Å; E348-K351 PolarHBondContact O-N 2.7Å; E348-K351 VanDerWaalsContact OE1-CD 3.32Å; E348-K351 WeakPolarHBondContact OE1-CD 3.28Å; E348-K351 IonicContact OE1-NZ 3.53Å; E348-K351 PolarHBondContact OE1-NZ 2.93Å; K351-E353 PolarHBondContact O-N 2.92Å; K351-E353 VanDerWaalsContact O-N 3.08Å
352	Q	67.8	Low	66.4	Low	137 Å²	137	139.3 Å²	139.3	64%	0.64	67%	0.673	S	S	*	*	S	Bend	trans	-75.9	91.5	169.9	-73.9	-178	13.3	0	0	109.1	E348 R354	E348-Q352 WeakPolarHBondContact O-CG 3.4Å; E348-Q352 PolarHBondContact O-N 3.48Å; Q352-R354 PolarHBondContact O-N 2.87Å
353	E	56.5	Low	64.8	Low	181 Å²	181	136.1 Å²	136.1	85%	0.846	67%	0.672	S	S	*	*			trans	-44.8	102.7	-179.5	-66.5	-176.8	163.1	0	0	112.6	K351 R355	K351-E353 PolarHBondContact O-N 2.92Å; K351-E353 VanDerWaalsContact O-N 3.08Å; E353-R355 PolarHBondContact O-N 3.23Å; E353-R355 VanDerWaalsContact O-N 3.11Å
354	R	63.6	Low	63.3	Low	188 Å²	188	142.4 Å²	142.4	71%	0.709	69%	0.69	S	S	*	*			trans	-70	108.1	172.4	-71.1	-174.6	173.4	-163	0.8	108.8	E349 Q352 L356	E349-R354 IonicContact OE1-CZ 2.72Å; E349-R354 IonicContact OE1-NH2 2.72Å; E349-R354 PolarHBondContact OE1-NH2 3.32Å; Q352-R354 PolarHBondContact O-N 2.87Å; R354-L356 PolarHBondContact O-N 2.88Å
355	R	63	Low	61.1	Low	239 Å²	239	142.4 Å²	142.4	90%	0.902	71%	0.708	S	S	*	*			trans	-60.9	109.2	171.3	-72.7	-172.6	172.2	-168.4	-3.4	109.9	E353	E353-R355 PolarHBondContact O-N 3.23Å; E353-R355 VanDerWaalsContact O-N 3.11Å
356	L	63.8	Low	59.1	Low	161 Å²	161	140.7 Å²	140.7	84%	0.843	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-56.1	139.9	170.8	-63.4	175.8	0	0	0	109.6	R354	R354-L356 PolarHBondContact O-N 2.88Å
357	R	60.4	Low	57.2	Low	237 Å²	237	148.4 Å²	148.4	89%	0.894	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-63.9	130.2	175.3	-88.1	-170.2	-86.8	-174.8	-5.8	109.1	V359	R357-V359 PolarHBondContact O-N 2.82Å
358	P	59.2	Low	55.1	Low	122 Å²	122	148 Å²	148	79%	0.792	75%	0.753	S	S	*	*	P	Polyproline II helix	trans	-58.5	133.7	173.1	-22.2	32.9	0	0	0	110.3	Q360	P358-Q360 PolarHBondContact O-N 3.22Å
359	V	53.8	Low	53.3	Low	145 Å²	145	154.6 Å²	154.6	88%	0.879	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-71.3	116.5	169.4	179.7	0	0	0	0	107.3	R357 G361	R357-V359 PolarHBondContact O-N 2.82Å; V359-G361 PolarHBondContact O-N 3.49Å
360	Q	45.9	Very low	51.2	Low	172 Å²	172	153.7 Å²	153.7	80%	0.804	80%	0.797	S	S	*	*			trans	-76.2	108.1	-177.2	-161.2	170.3	15.5	0	0	109.3	P358	P358-Q360 PolarHBondContact O-N 3.22Å
361	G	54.3	Low	49.6	Very low	74 Å²	74	153.2 Å²	153.2	76%	0.763	81%	0.805	S	S	*	*			trans	-105.3	91.3	-178.6	0	0	0	0	0	112.4	V359	V359-G361 PolarHBondContact O-N 3.49Å
362	E	43.3	Very low	47.8	Very low	178 Å²	178	154.1 Å²	154.1	83%	0.832	82%	0.815	S	S	*	*			trans	-142.5	128.6	167	-67.1	-176.8	109.8	0	0	108.1
363	G	38.3	Very low	46.9	Very low	64 Å²	64	152.7 Å²	152.7	66%	0.66	82%	0.818	S	S	*	*			cis	-174.5	-167	-4.2	0	0	0	0	0	112.2
364	W	40.2	Very low	45.8	Very low	259 Å²	259	148.9 Å²	148.9	98%	0.981	81%	0.81	S	S	*	*			trans	77.5	88.9	174	-47.2	-13.5	0	0	0	114.8
365	A	38.2	Very low	44.5	Very low	102 Å²	102	146.8 Å²	146.8	84%	0.843	81%	0.812	S	S	*	*				78.6	94.9	60.2	0	0	0	0	0	115.5
366	A	37.6	Very low	43	Very low	85 Å²	85	143 Å²	143	70%	0.702	81%	0.808	S	S	*	*			trans	-167.3	109.9	144.9	0	0	0	0	0	112.1
367	R	37.5	Very low	41.7	Very low	252 Å²	252	141.5 Å²	141.5	95%	0.951	80%	0.801	S	S	*	*			trans	57.3	137.2	157.6	-49.1	172.6	-143.3	-146.4	2.3	116.5
368	G	36.3	Very low	40.4	Very low	65 Å²	65	134.8 Å²	134.8	67%	0.67	80%	0.796	S	S	*	*			cis	137.6	113.5	9.6	0	0	0	0	0	108.8
369	F	37.1	Very low	39.3	Very low	226 Å²	226	134.8 Å²	134.8	99%	0.991	80%	0.798	S	S	*	*			trans	54	129.1	173.7	-77.9	-93.2	0	0	0	119
370	G	31.8	Very low	38.4	Very low	77 Å²	77	134 Å²	134	79%	0.794	80%	0.799	S	S	*	*			trans	157.3	129.5	156.8	0	0	0	0	0	115.9
371	S	38.2	Very low	37.7	Very low	115 Å²	115	129 Å²	129	80%	0.804	79%	0.793	S	S	*	*			trans	-63.9	160	166.7	170.9	0	0	0	0	112.8
372	L	37	Very low	37	Very low	157 Å²	157	132.8 Å²	132.8	82%	0.822	80%	0.796	S	S	*	*			trans	-30.8	157.2	156.8	-57.1	164.4	0	0	0	113.9
373	P	49.1	Very low	36.7	Very low	108 Å²	108	129.1 Å²	129.1	70%	0.701	80%	0.796	S	S	*	*			cis	-155.8	-165.5	32.8	45.9	-23.9	0	0	0	118.1
374	C	32.3	Very low	36.6	Very low	101 Å²	101	135.2 Å²	135.2	68%	0.682	81%	0.805	S	S	*	*			trans	62.9	112.5	145.3	-67.9	0	0	0	0	124.6
375	I	38.2	Very low	36.2	Very low	144 Å²	144	129 Å²	129	74%	0.738	80%	0.801	S	S	*	*				63.2	145.5	112.5	-61.8	163.6	0	0	0	121.1
376	L	30.8	Very low	36	Very low	158 Å²	158	130.5 Å²	130.5	83%	0.827	80%	0.8	S	S	*	*			trans	77.3	144.7	174.2	-69	139	0	0	0	115.7
377	N	35.3	Very low	35.9	Very low	130 Å²	130	131.7 Å²	131.7	70%	0.695	80%	0.802	S	S	*	*			cis	-172.2	144.7	-15.6	-178.5	24.4	0	0	0	108.7
378	A	34.2	Very low	35.7	Very low	96 Å²	96	125.2 Å²	125.2	79%	0.793	80%	0.795	S	S	*	*			trans	175	118.2	142.9	0	0	0	0	0	110.9
379	C	36.7	Very low	35.6	Very low	123 Å²	123	130 Å²	130	83%	0.831	80%	0.803	S	S	*	*			trans	-81.4	152.5	175.5	-50.6	0	0	0	0	112.3
380	S	34.1	Very low	35.2	Very low	129 Å²	129	126.2 Å²	126.2	90%	0.902	79%	0.793	S	S	*	*			trans	148.1	130.3	147.9	-172.8	0	0	0	0	109.1
381	G	31.8	Very low	35.4	Very low	65 Å²	65	130.5 Å²	130.5	67%	0.67	80%	0.797	S	S	*	*			cis	-164.8	-168	2.9	0	0	0	0	0	111.3
382	D	38.1	Very low	35.5	Very low	155 Å²	155	130.4 Å²	130.4	83%	0.829	80%	0.796	S	S	*	*			trans	-40.8	132.9	-171.4	-71	-78	0	0	0	118.4
383	A	37.2	Very low	35.3	Very low	101 Å²	101	130 Å²	130	84%	0.835	80%	0.8	S	S	*	*				-159.9	128.6	119.7	0	0	0	0	0	111
384	K	36.1	Very low	34.8	Very low	192 Å²	192	131 Å²	131	84%	0.835	81%	0.805	S	S	*	*			trans	-77.7	138.1	177.5	-61.9	163.7	-178.7	170	0	110.9
385	S	32.6	Very low	34.9	Very low	128 Å²	128	134.1 Å²	134.1	90%	0.895	81%	0.814	S	S	*	*				-160.3	114.6	124.6	-149.8	0	0	0	0	110.4
386	T	34.4	Very low	34.9	Very low	134 Å²	134	131.9 Å²	131.9	82%	0.822	82%	0.817	S	S	*	*			trans	-113.1	118.2	-172.1	46.4	0	0	0	0	110.7
387	S	35.9	Very low	35.1	Very low	109 Å²	109	128.1 Å²	128.1	76%	0.762	82%	0.817	S	S	*	*			trans	-89.8	155	159.1	57.6	0	0	0	0	110.4
388	C	32	Very low	35	Very low	117 Å²	117	125.4 Å²	125.4	79%	0.791	82%	0.819	S	S	*	*			trans	72.7	124.6	-179.4	92.5	0	0	0	0	117.6
389	I	34.4	Very low	35	Very low	166 Å²	166	126.8 Å²	126.8	85%	0.851	82%	0.823	S	S	*	*			trans	-130.4	123.9	159.7	-66.1	-179.9	0	0	0	106.6
390	N	29.8	Very low	34.9	Very low	146 Å²	146	125.4 Å²	125.4	78%	0.781	82%	0.82	S	S	*	*			trans	-76.9	148.3	171.2	-91.7	-75.9	0	0	0	110.7
391	L	34.4	Very low	35	Very low	167 Å²	167	128.4 Å²	128.4	87%	0.874	82%	0.82	S	S	*	*			trans	-77.1	121	164.2	-69	95.5	0	0	0	110.3
392	S	41.1	Very low	35.3	Very low	112 Å²	112	135.6 Å²	135.6	78%	0.783	83%	0.827	S	S	*	*			trans	161.5	103.8	131.7	47.5	0	0	0	0	112.7
393	V	32.3	Very low	35.2	Very low	148 Å²	148	134.2 Å²	134.2	90%	0.897	83%	0.827	S	S	*	*			trans	-148.2	129.5	144.7	-178.5	0	0	0	0	107.8
394	T	38.6	Very low	35.5	Very low	131 Å²	131	140.3 Å²	140.3	80%	0.804	83%	0.828	S	S	*	*			trans	-88.7	134.2	165.5	46.6	0	0	0	0	110.1
395	D	34.8	Very low	35.8	Very low	166 Å²	166	136.9 Å²	136.9	89%	0.888	83%	0.826	S	S	*	*			trans	-154.1	158.4	143.9	-135.9	-24.5	0	0	0	112.8
396	A	39.3	Very low	36.2	Very low	96 Å²	96	138 Å²	138	79%	0.793	81%	0.81	S	S	*	*			trans	-101.9	146.5	-170.8	0	0	0	0	0	112.9
397	G	33.4	Very low	37	Very low	80 Å²	80	136.1 Å²	136.1	83%	0.825	80%	0.798	S	S	*	*			trans	158.3	86.5	167	0	0	0	0	0	118
398	G	33.5	Very low	37.3	Very low	72 Å²	72	136 Å²	136	74%	0.742	79%	0.788	S	S	*	*			trans	50.8	119.8	138.2	0	0	0	0	0	123
399	S	34.6	Very low	37.7	Very low	126 Å²	126	134.4 Å²	134.4	88%	0.881	77%	0.772	S	S	*	*			trans	98.9	142.1	144.4	82	0	0	0	0	120.5
400	A	34.7	Very low	38	Very low	93 Å²	93	133.6 Å²	133.6	77%	0.769	76%	0.762	S	S	*	*			trans	61.4	74.1	170.3	0	0	0	0	0	118.2	R402	A400-R402 PolarHBondContact O-N 3.15Å; A400-R402 VanDerWaalsContact O-N 3.16Å
401	Q	35.3	Very low	38.5	Very low	192 Å²	192	129.2 Å²	129.2	90%	0.897	75%	0.746	S	S	*	*			trans	-59	111.1	154.7	-78.8	-85.3	0.1	0	0	109.7
402	R	38.1	Very low	38.8	Very low	216 Å²	216	125 Å²	125	82%	0.815	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-85.4	136.7	157.7	-74.7	-179.2	174.6	167.3	-1.7	107.7	A400 R404	A400-R402 PolarHBondContact O-N 3.15Å; A400-R402 VanDerWaalsContact O-N 3.16Å; R402-R404 PolarHBondContact O-N 3.34Å; R402-R404 VanDerWaalsContact O-N 3.16Å
403	P	37.2	Very low	39	Very low	126 Å²	126	123.1 Å²	123.1	82%	0.818	71%	0.713	S	S	*	*	P	Polyproline II helix	trans	-60.5	122.4	170.2	26.8	-32.6	0	0	0	108.4
404	R	42.3	Very low	39.5	Very low	230 Å²	230	122.4 Å²	122.4	87%	0.868	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-72.5	147.3	165.1	-67.8	-178.8	177.5	178.8	-0.8	107.6	R402 R406	R402-R404 PolarHBondContact O-N 3.34Å; R402-R404 VanDerWaalsContact O-N 3.16Å; R404-R406 PolarHBondContact O-N 3.41Å
405	P	42.1	Very low	40	Very low	120 Å²	120	118.6 Å²	118.6	78%	0.779	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-57.7	133.4	169.8	-18	30.8	0	0	0	108.9
406	R	42.5	Very low	40.7	Very low	150 Å²	150	115 Å²	115	57%	0.566	66%	0.663	S	S	*	*	P	Polyproline II helix	trans	-57.5	139	168.3	-70.3	178.2	172.5	169.3	-12.5	108.6	E118 R404 L408	E118-R406 IonicContact OE1-CZ 3.72Å; E118-R406 IonicContact OE1-NH1 2.7Å; E118-R406 PolarHBondContact OE1-NH1 2.72Å; E118-R406 WeakPolarHBondContact OE2-CD 3.37Å; E118-R406 IonicContact OE2-CZ 3.51Å; E118-R406 IonicContact OE2-NE 3.66Å; E118-R406 IonicContact OE2-NH1 2.73Å; E118-R406 PolarHBondContact OE2-NH1 2.94Å; R404-R406 PolarHBondContact O-N 3.41Å; R406-L408 PolarHBondContact O-N 3.48Å
407	V	50.4	Low	41.4	Very low	96 Å²	96	115.5 Å²	115.5	58%	0.582	65%	0.65	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-85.5	101.9	176.2	178.9	0	0	0	0	106.8	L409	V407-L409 HydrophobicContact CG1-CD2 4.06Å; V407-L409 PolarHBondContact O-N 3.14Å; V407-L409 VanDerWaalsContact O-N 3.09Å
408	L	42.1	Very low	42.4	Very low	105 Å²	105	116.8 Å²	116.8	55%	0.55	63%	0.634	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-67.5	108	175.4	-165.7	71.2	0	0	0	108.4	E120 R406	E120-L408 HydrophobicContact CG-CD1 3.69Å; E120-L408 HydrophobicContact CG-CD2 3.98Å; E120-L408 HydrophobicContact CG-CG 3.61Å; E120-L408 WeakPolarHBondContact OE1-CD2 3.5Å; E120-L408 WeakPolarHBondContact OE1-CG 3.42Å; R406-L408 PolarHBondContact O-N 3.48Å
409	L	41.8	Very low	42.9	Very low	84 Å²	84	120 Å²	120	44%	0.44	63%	0.63	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-86.6	112.6	179.5	-70.4	178.9	0	0	0	109.2	E117 V407 A411	E117-L409 HydrophobicContact CG-CD1 4.06Å; E117-L409 WeakPolarHBondContact OE1-CD1 3.43Å; V407-L409 HydrophobicContact CG1-CD2 4.06Å; V407-L409 PolarHBondContact O-N 3.14Å; V407-L409 VanDerWaalsContact O-N 3.09Å; L409-A411 PolarHBondContact O-N 3.06Å
410	K	39	Very low	43.2	Very low	150 Å²	150	121.7 Å²	121.7	65%	0.652	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-62.9	127.6	178.3	-159.1	-176.9	-178.8	-160.8	0	110.4	E120	E120-K410 WeakPolarHBondContact OE2-CA 3.31Å
411	A	41.5	Very low	43.9	Very low	54 Å²	54	123.4 Å²	123.4	45%	0.446	62%	0.622	S	S	.	*	P	Polyproline II helix	trans	-59.2	134	175.7	0	0	0	0	0	109.9	E120 L409 T413	E120-A411 PolarHBondContact OE2-N 2.93Å; L409-A411 PolarHBondContact O-N 3.06Å; A411-T413 PolarHBondContact O-N 3.02Å; A411-T413 VanDerWaalsContact O-N 3.15Å
412	P	39.4	Very low	44	Very low	78 Å²	78	119.6 Å²	119.6	51%	0.506	61%	0.612	S	S	.	*	P	Polyproline II helix	trans	-57.7	123	165.2	-18.2	30	0	0	0	107.8	E416 M417	P412-E416 HydrophobicContact CB-CB 4.37Å; P412-M417 HydrophobicContact CB-CB 4.08Å; P412-M417 HydrophobicContact CB-CG 3.75Å; P412-M417 HydrophobicContact CB-SD 4.12Å; P412-M417 HydrophobicContact CG-CG 4.21Å; P412-M417 HydrophobicContact CG-SD 4.27Å
413	T	45.6	Very low	43.8	Very low	73 Å²	73	113.6 Å²	113.6	45%	0.448	60%	0.604	S	S	.	*	P	Polyproline II helix	trans	-58.1	158	162.2	57.2	0	0	0	0	109	A411 A415 E416 M417	A411-T413 PolarHBondContact O-N 3.02Å; A411-T413 VanDerWaalsContact O-N 3.15Å; T413-A415 PolarHBondContact O-N 2.9Å; T413-E416 VanDerWaalsContact CB-OE2 3.28Å; T413-E416 WeakPolarHBondContact CB-OE2 3.32Å; T413-E416 VanDerWaalsContact CG2-OE2 3.29Å; T413-E416 WeakPolarHBondContact CG2-OE2 3.39Å; T413-E416 PolarHBondContact N-OE2 3.24Å; T413-E416 PolarHBondContact O-N 3.16Å; T413-E416 VanDerWaalsContact OG1-CD 3.23Å; T413-E416 WeakPolarHBondContact OG1-CG 3.38Å; T413-E416 PolarHBondContact OG1-N 3.02Å; T413-E416 PolarHBondContact OG1-OE2 3.27Å; T413-M417 PolarHBondContact O-N 3.2Å
414	L	43.8	Very low	44	Very low	132 Å²	132	117 Å²	117	69%	0.691	61%	0.609	S	S	*	*	H	α-helix	trans	-48.6	-38.7	175.1	-164.9	100.4	0	0	0	111	E418	L414-E418 VanDerWaalsContact CD2-OE1 3.29Å; L414-E418 WeakPolarHBondContact CD2-OE1 3.46Å; L414-E418 VanDerWaalsContact O-CD 3.28Å; L414-E418 WeakPolarHBondContact O-CG 3.29Å; L414-E418 PolarHBondContact O-N 2.91Å; L414-E418 VanDerWaalsContact O-N 3.13Å
415	A	48.8	Very low	43.9	Very low	51 Å²	51	115 Å²	115	42%	0.421	61%	0.609	S	S	.	*	H	α-helix	trans	-69.5	-42.7	176.3	0	0	0	0	0	114.6	T413 M417 E418 E419	T413-A415 PolarHBondContact O-N 2.9Å; A415-M417 VanDerWaalsContact C-N 3.29Å; A415-M417 PolarHBondContact O-N 3.11Å; A415-E418 WeakPolarHBondContact O-CA 3.45Å; A415-E418 WeakPolarHBondContact O-CB 3.44Å; A415-E418 PolarHBondContact O-N 3.07Å; A415-E419 PolarHBondContact O-N 3.29Å
416	E	49.7	Very low	44	Very low	92 Å²	92	118.6 Å²	118.6	43%	0.43	62%	0.615	S	S	.	*	H	α-helix	trans	-68.3	-30.4	178.3	-72.9	156.1	144	0	0	111.7	P412 T413 E418	P412-E416 HydrophobicContact CB-CB 4.37Å; T413-E416 VanDerWaalsContact CB-OE2 3.28Å; T413-E416 WeakPolarHBondContact CB-OE2 3.32Å; T413-E416 VanDerWaalsContact CG2-OE2 3.29Å; T413-E416 WeakPolarHBondContact CG2-OE2 3.39Å; T413-E416 PolarHBondContact N-OE2 3.24Å; T413-E416 PolarHBondContact O-N 3.16Å; T413-E416 VanDerWaalsContact OG1-CD 3.23Å; T413-E416 WeakPolarHBondContact OG1-CG 3.38Å; T413-E416 PolarHBondContact OG1-N 3.02Å; T413-E416 PolarHBondContact OG1-OE2 3.27Å; E416-E418 VanDerWaalsContact C-N 3.34Å
417	M	53.7	Low	43.6	Very low	105 Å²	105	120.3 Å²	120.3	52%	0.517	63%	0.63	S	S	.	*	H	α-helix	trans	-76.2	-18.3	169.4	-115.4	174.8	66.6	0	0	113.3	P412 T413 A415 N421	P412-M417 HydrophobicContact CB-CB 4.08Å; P412-M417 HydrophobicContact CB-CG 3.75Å; P412-M417 HydrophobicContact CB-SD 4.12Å; P412-M417 HydrophobicContact CG-CG 4.21Å; P412-M417 HydrophobicContact CG-SD 4.27Å; T413-M417 PolarHBondContact O-N 3.2Å; A415-M417 VanDerWaalsContact C-N 3.29Å; A415-M417 PolarHBondContact O-N 3.11Å; M417-N421 PolarHBondContact O-ND2 2.85Å
418	E	53.4	Low	42.4	Very low	107 Å²	107	121.5 Å²	121.5	50%	0.5	64%	0.643	S	S	.	*	H	α-helix	trans	-80.8	-41.2	173.7	-77.8	161.5	175.8	0	0	111.9	L414 A415 E416 N421 T422	L414-E418 VanDerWaalsContact CD2-OE1 3.29Å; L414-E418 WeakPolarHBondContact CD2-OE1 3.46Å; L414-E418 VanDerWaalsContact O-CD 3.28Å; L414-E418 WeakPolarHBondContact O-CG 3.29Å; L414-E418 PolarHBondContact O-N 2.91Å; L414-E418 VanDerWaalsContact O-N 3.13Å; A415-E418 WeakPolarHBondContact O-CA 3.45Å; A415-E418 WeakPolarHBondContact O-CB 3.44Å; A415-E418 PolarHBondContact O-N 3.07Å; E416-E418 VanDerWaalsContact C-N 3.34Å; E418-N421 PolarHBondContact O-N 2.98Å; E418-T422 PolarHBondContact O-OG1 3.18Å
419	E	44.8	Very low	42.1	Very low	139 Å²	139	121 Å²	121	65%	0.65	65%	0.645	S	S	*	*	H	α-helix	trans	-65.9	-43.1	-179.3	-72.2	-170.9	160.1	0	0	112.5	A415 N421 T422 S423	A415-E419 PolarHBondContact O-N 3.29Å; E419-N421 PolarHBondContact O-N 3.35Å; E419-N421 VanDerWaalsContact O-N 3.15Å; E419-T422 PolarHBondContact O-N 2.9Å; E419-T422 PolarHBondContact O-OG1 3.33Å; E419-S423 PolarHBondContact O-N 3.49Å; E419-S423 PolarHBondContact O-OG 2.68Å
420	M	41	Very low	41.4	Very low	163 Å²	163	123.6 Å²	123.6	80%	0.803	67%	0.669	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.9	-6.8	-177.8	-153.9	175.2	72.3	0	0	114
421	N	48.6	Very low	40.9	Very low	129 Å²	129	120.2 Å²	120.2	69%	0.69	68%	0.677	S	S	*	*	T	Hydrogen-bonded Turn	trans	-106.5	1.8	175.9	-77	-70.1	0	0	0	113.6	M417 E418 E419	M417-N421 PolarHBondContact O-ND2 2.85Å; E418-N421 PolarHBondContact O-N 2.98Å; E419-N421 PolarHBondContact O-N 3.35Å; E419-N421 VanDerWaalsContact O-N 3.15Å
422	T	37.6	Very low	40.3	Very low	111 Å²	111	125.7 Å²	125.7	68%	0.681	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126.4	-5.7	-175.8	52.1	0	0	0	0	114.6	E418 E419 E424	E418-T422 PolarHBondContact O-OG1 3.18Å; E419-T422 PolarHBondContact O-N 2.9Å; E419-T422 PolarHBondContact O-OG1 3.33Å; T422-E424 PolarHBondContact O-N 2.79Å
423	S	33.8	Very low	39.8	Very low	91 Å²	91	128.9 Å²	128.9	64%	0.636	71%	0.711	S	S	*	*	T	Hydrogen-bonded Turn	trans	-102.3	61.5	-168.1	65.9	0	0	0	0	116.2	E419	E419-S423 PolarHBondContact O-N 3.49Å; E419-S423 PolarHBondContact O-OG 2.68Å
424	E	41	Very low	39.1	Very low	198 Å²	198	130.3 Å²	130.3	93%	0.925	72%	0.72	S	S	*	*	T	Hydrogen-bonded Turn	trans	-128.8	-2.1	161	-74.8	-156	125.3	0	0	114.6	T422	T422-E424 PolarHBondContact O-N 2.79Å
425	E	40.3	Very low	38.4	Very low	186 Å²	186	132.5 Å²	132.5	87%	0.869	73%	0.731	S	S	*	*	S	Bend	trans	-128.5	38.3	-175.1	-65.7	-158.7	133.9	0	0	115.6
426	E	44.7	Very low	37.4	Very low	197 Å²	197	139.6 Å²	139.6	92%	0.921	75%	0.753	S	S	*	*	S	Bend	trans	-160.4	62.1	160.4	-123.9	173.5	-165.8	0	0	117.4
427	E	33.7	Very low	36.5	Very low	185 Å²	185	146 Å²	146	86%	0.864	77%	0.773	S	S	*	*			trans	-151.1	113.1	146.7	-145.1	-178.9	154.7	0	0	114.1	P429	E427-P429 HydrophobicContact CG-CG 4.47Å
428	S	27.1	Very low	35.3	Very low	122 Å²	122	147 Å²	147	85%	0.853	78%	0.78	S	S	*	*			trans	-145.8	103	165.6	-169.8	0	0	0	0	109.6
429	P	34.8	Very low	34.2	Very low	93 Å²	93	151.9 Å²	151.9	60%	0.604	79%	0.794	S	S	*	*			trans	-82.3	146.1	-171	-16.8	32.1	0	0	0	115.8	E427	E427-P429 HydrophobicContact CG-CG 4.47Å
430	C	26.9	Very low	33.6	Very low	139 Å²	139	150.8 Å²	150.8	94%	0.939	80%	0.802	S	S	*	*			trans	77.9	126.3	153.7	-61.1	0	0	0	0	119.9
431	G	27.9	Very low	33	Very low	79 Å²	79	152 Å²	152	81%	0.814	80%	0.803	S	S	*	*			trans	177.5	48.9	176.6	0	0	0	0	0	115
432	E	29.9	Very low	32.7	Very low	169 Å²	169	149 Å²	149	79%	0.79	79%	0.792	S	S	*	*			trans	-58.3	127.3	-177.7	178.8	-172.3	-178.3	0	0	114.9
433	V	29.1	Very low	32.7	Very low	146 Å²	146	152.2 Å²	152.2	89%	0.885	80%	0.799	S	S	*	*			trans	-143.6	136	144.8	-173.3	0	0	0	0	110.5
434	T	31.1	Very low	32.9	Very low	102 Å²	102	155.4 Å²	155.4	63%	0.626	80%	0.804	S	S	*	*			trans	-98.1	144.1	-169.2	45.6	0	0	0	0	114.3
435	L	29.2	Very low	32.8	Very low	179 Å²	179	149.6 Å²	149.6	94%	0.937	78%	0.779	S	S	*	*			trans	-145	118.6	148.9	-80.8	-171.8	0	0	0	113.3
436	K	28.1	Very low	32.9	Very low	200 Å²	200	145.3 Å²	145.3	87%	0.87	76%	0.761	S	S	*	*			trans	-29.2	113.5	-179.9	-66.8	172	175	177.5	0	120.8
437	R	28.8	Very low	32.8	Very low	226 Å²	226	138.6 Å²	138.6	85%	0.853	74%	0.74	S	S	*	*				21.9	122.6	108.7	-158.2	-174.7	-161.1	98.3	-0.8	120.3
438	D	29.9	Very low	33	Very low	127 Å²	127	135.5 Å²	135.5	68%	0.679	73%	0.726	S	S	*	*				171.3	141.7	127.4	-104.9	16.2	0	0	0	108.7
439	R	30.6	Very low	33.5	Very low	208 Å²	208	135.4 Å²	135.4	79%	0.785	72%	0.715	S	S	*	*			cis	-134	152.3	9.4	-97.9	169	148.3	66.7	-4.6	110.7
440	S	32.1	Very low	33.9	Very low	116 Å²	116	139.4 Å²	139.4	81%	0.811	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-80.6	135	169.6	48.6	0	0	0	0	112.4
441	F	27.8	Very low	34.7	Very low	189 Å²	189	136.3 Å²	136.3	83%	0.829	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-96.5	143.1	159.1	-85.9	-87.2	0	0	0	109.7	D445	F441-D445 HydrophobicContact CD1-CB 4.5Å
442	S	43.2	Very low	35.3	Very low	65 Å²	65	138.3 Å²	138.3	46%	0.455	69%	0.686	S	S	.	*	P	Polyproline II helix	trans	-100.8	155.5	-177.6	76.2	0	0	0	0	111.5	H444 D445	S442-H444 PolarHBondContact O-N 2.76Å; S442-H444 VanDerWaalsContact O-N 3.1Å; S442-D445 PolarHBondContact N-OD2 3.28Å; S442-D445 PolarHBondContact O-N 3.3Å; S442-D445 PolarHBondContact OG-OD2 3.3Å; S442-D445 VanDerWaalsContact OG-OD2 3.06Å
443	E	36.4	Very low	36	Very low	180 Å²	180	135.9 Å²	135.9	84%	0.841	68%	0.682	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.8	-17.6	-179.1	-115.3	177.8	131.5	0	0	114.2
444	H	38.6	Very low	36.5	Very low	158 Å²	158	132.8 Å²	132.8	73%	0.731	67%	0.672	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.8	-32.9	175.8	-105.9	38.8	0	0	0	113.4	S442 L446 A447 Q448	S442-H444 PolarHBondContact O-N 2.76Å; S442-H444 VanDerWaalsContact O-N 3.1Å; H444-L446 PolarHBondContact O-N 3.28Å; H444-A447 WeakPolarHBondContact O-CB 3.46Å; H444-A447 PolarHBondContact O-N 3.06Å; H444-Q448 PolarHBondContact O-N 3.3Å
445	D	39.5	Very low	36.9	Very low	75 Å²	75	132.7 Å²	132.7	40%	0.401	68%	0.675	S	S	.	*	H	α-helix	trans	-66	-30.5	-177.8	-58.5	-54	0	0	0	111.7	F441 S442 L449	F441-D445 HydrophobicContact CD1-CB 4.5Å; S442-D445 PolarHBondContact N-OD2 3.28Å; S442-D445 PolarHBondContact O-N 3.3Å; S442-D445 PolarHBondContact OG-OD2 3.3Å; S442-D445 VanDerWaalsContact OG-OD2 3.06Å; D445-L449 PolarHBondContact O-N 3.23Å
446	L	42.1	Very low	37.4	Very low	96 Å²	96	127 Å²	127	50%	0.503	66%	0.66	S	S	.	*	H	α-helix	trans	-75.4	-20.5	174.9	-86.1	169	0	0	0	113.9	H444 R450	H444-L446 PolarHBondContact O-N 3.28Å; L446-R450 WeakPolarHBondContact O-CD 3.47Å; L446-R450 VanDerWaalsContact O-CG 3.29Å; L446-R450 WeakPolarHBondContact O-CG 3.3Å
447	A	41.1	Very low	37.7	Very low	57 Å²	57	125.2 Å²	125.2	47%	0.471	66%	0.659	S	S	.	*	H	α-helix	trans	-78	-42.3	173.8	0	0	0	0	0	110.9	H444 R450 S451	H444-A447 WeakPolarHBondContact O-CB 3.46Å; H444-A447 PolarHBondContact O-N 3.06Å; A447-R450 PolarHBondContact O-N 3.33Å; A447-S451 PolarHBondContact O-N 2.9Å
448	Q	39.2	Very low	37.7	Very low	120 Å²	120	123.9 Å²	123.9	56%	0.561	66%	0.663	S	S	*	*	H	α-helix	trans	-65.2	-43.7	179.2	-171.5	167.7	-13.6	0	0	112.2	H444 R450 S451 E452	H444-Q448 PolarHBondContact O-N 3.3Å; Q448-R450 VanDerWaalsContact C-N 3.26Å; Q448-R450 PolarHBondContact O-N 3.44Å; Q448-S451 WeakPolarHBondContact O-CB 3.29Å; Q448-S451 PolarHBondContact O-N 3.15Å; Q448-S451 VanDerWaalsContact O-N 3.14Å; Q448-E452 PolarHBondContact NE2-OE1 3.21Å; Q448-E452 PolarHBondContact O-N 3.1Å; Q448-E452 VanDerWaalsContact O-N 3.09Å
449	L	37.2	Very low	37.6	Very low	119 Å²	119	123.8 Å²	123.8	62%	0.623	67%	0.671	S	S	*	*	H	α-helix	trans	-61.3	-32.9	175.5	-120.7	86.4	0	0	0	113.2	D445 V453	D445-L449 PolarHBondContact O-N 3.23Å; L449-V453 VanDerWaalsContact O-CG2 3.29Å; L449-V453 WeakPolarHBondContact O-CG2 3.41Å; L449-V453 PolarHBondContact O-N 2.78Å
450	R	43.7	Very low	37.5	Very low	178 Å²	178	118.6 Å²	118.6	67%	0.672	67%	0.673	S	S	*	*	H	α-helix	trans	-74.9	-33	176.5	-74.5	174.1	176.9	144.1	-2.1	112.3	L446 A447 Q448 A454	L446-R450 WeakPolarHBondContact O-CD 3.47Å; L446-R450 VanDerWaalsContact O-CG 3.29Å; L446-R450 WeakPolarHBondContact O-CG 3.3Å; A447-R450 PolarHBondContact O-N 3.33Å; Q448-R450 VanDerWaalsContact C-N 3.26Å; Q448-R450 PolarHBondContact O-N 3.44Å; R450-A454 WeakPolarHBondContact O-CB 3.38Å; R450-A454 PolarHBondContact O-N 3.46Å; R450-A454 VanDerWaalsContact O-N 3.15Å
451	S	43	Very low	37.3	Very low	73 Å²	73	119.4 Å²	119.4	51%	0.51	67%	0.673	S	S	.	*	H	α-helix	trans	-65.3	-47.8	175.3	-173.9	0	0	0	0	112.4	A447 Q448 V453 A454 S455	A447-S451 PolarHBondContact O-N 2.9Å; Q448-S451 WeakPolarHBondContact O-CB 3.29Å; Q448-S451 PolarHBondContact O-N 3.15Å; Q448-S451 VanDerWaalsContact O-N 3.14Å; S451-V453 PolarHBondContact O-N 3.21Å; S451-A454 PolarHBondContact O-N 2.7Å; S451-S455 PolarHBondContact O-N 2.73Å; S451-S455 PolarHBondContact O-OG 3.05Å; S451-S455 VanDerWaalsContact O-OG 3.1Å
452	E	41.9	Very low	37.3	Very low	122 Å²	122	118.9 Å²	118.9	57%	0.57	67%	0.674	S	S	*	*	H	α-helix	trans	-67.5	-36.1	-178.6	-70.6	176.7	-173	0	0	112.2	Q448	Q448-E452 PolarHBondContact NE2-OE1 3.21Å; Q448-E452 PolarHBondContact O-N 3.1Å; Q448-E452 VanDerWaalsContact O-N 3.09Å
453	V	44.7	Very low	37.3	Very low	117 Å²	117	120.7 Å²	120.7	71%	0.709	68%	0.684	S	S	*	*	H	α-helix	trans	-72.2	-31	175.2	174.3	0	0	0	0	112.5	L449 S451 S455	L449-V453 VanDerWaalsContact O-CG2 3.29Å; L449-V453 WeakPolarHBondContact O-CG2 3.41Å; L449-V453 PolarHBondContact O-N 2.78Å; S451-V453 PolarHBondContact O-N 3.21Å; V453-S455 VanDerWaalsContact C-N 3.33Å; V453-S455 PolarHBondContact O-N 3.39Å
454	A	39.1	Very low	37.8	Very low	82 Å²	82	118.1 Å²	118.1	68%	0.678	68%	0.683	S	S	*	*	H	α-helix	trans	-74.3	-21.7	178.6	0	0	0	0	0	113.9	R450 S451	R450-A454 WeakPolarHBondContact O-CB 3.38Å; R450-A454 PolarHBondContact O-N 3.46Å; R450-A454 VanDerWaalsContact O-N 3.15Å; S451-A454 PolarHBondContact O-N 2.7Å
455	S	38.6	Very low	37.1	Very low	99 Å²	99	114.6 Å²	114.6	69%	0.692	69%	0.689	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-6.5	-176.7	-60.9	0	0	0	0	114	S451 V453	S451-S455 PolarHBondContact O-N 2.73Å; S451-S455 PolarHBondContact O-OG 3.05Å; S451-S455 VanDerWaalsContact O-OG 3.1Å; V453-S455 VanDerWaalsContact C-N 3.33Å; V453-S455 PolarHBondContact O-N 3.39Å
456	G	39.2	Very low	36.4	Very low	59 Å²	59	115 Å²	115	61%	0.608	71%	0.711	S	S	*	*	S	Bend	trans	-88.2	-8.1	-170.2	0	0	0	0	0	117.3
457	L	34.3	Very low	35.7	Very low	164 Å²	164	119 Å²	119	86%	0.859	73%	0.729	S	S	*	*	S	Bend	trans	-148.1	50.4	-167.1	-103.8	128.2	0	0	0	115.9
458	Q	30.2	Very low	34.7	Very low	198 Å²	198	124.6 Å²	124.6	93%	0.925	75%	0.746	S	S	*	*			trans	-139.1	99.6	150.6	-71.8	-163.5	41.6	0	0	111.5
459	S	27.7	Very low	35.2	Very low	124 Å²	124	123.7 Å²	123.7	87%	0.867	75%	0.75	S	S	*	*			trans	-154.3	114.4	156.7	-171	0	0	0	0	110.1
460	A	28.3	Very low	35.1	Very low	100 Å²	100	123.7 Å²	123.7	83%	0.826	76%	0.758	S	S	*	*			trans	-157.5	117.4	165.7	0	0	0	0	0	109.5
461	T	28.4	Very low	34.6	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	77%	0.768	S	S	*	*			trans	-131.9	100.8	174.7	-60	0	0	0	0	110.7
462	Q	27.6	Very low	34.3	Very low	179 Å²	179	128.6 Å²	128.6	84%	0.836	78%	0.78	S	S	*	*			trans	69.4	161.6	148.5	-66.2	-79	-33.4	0	0	120.2
463	P	43.6	Very low	33.6	Very low	103 Å²	103	133.7 Å²	133.7	67%	0.669	79%	0.794	S	S	*	*			trans	-115.9	-150.1	-153.8	48.4	-39.4	0	0	0	112.5
464	P	46.5	Very low	32.8	Very low	126 Å²	126	133.2 Å²	133.2	82%	0.818	80%	0.802	S	S	*	*			cis	-136	-178.1	-13.3	41.7	-24.2	0	0	0	116
465	G	23.8	Very low	32.1	Very low	83 Å²	83	133 Å²	133	86%	0.856	81%	0.808	S	S	*	*			trans	145.8	146.8	150.5	0	0	0	0	0	119.2
466	G	24	Very low	31.6	Very low	85 Å²	85	134.2 Å²	134.2	88%	0.876	82%	0.817	S	S	*	*			trans	124.7	127.5	160.2	0	0	0	0	0	117.4
467	M	26.8	Very low	30.8	Very low	179 Å²	179	135.7 Å²	135.7	88%	0.882	82%	0.823	S	S	*	*			trans	-118.2	137.9	-177.8	-64.3	165.4	68.9	0	0	113.1
468	E	21.4	Very low	30.4	Very low	175 Å²	175	139 Å²	139	82%	0.818	82%	0.824	S	S	*	*			trans	54.2	176.2	150.6	-85.4	-143.6	113.3	0	0	120.6
469	P	50.2	Low	30.2	Very low	100 Å²	100	134.4 Å²	134.4	65%	0.649	81%	0.809	S	S	*	*			cis	-124.8	-146.2	-48.3	40.1	-23.5	0	0	0	109.2
470	P	33.9	Very low	30	Very low	120 Å²	120	139 Å²	139	78%	0.779	81%	0.808	S	S	*	*			cis	-130	-168.7	-19.4	41.9	-24.3	0	0	0	114.8
471	R	32.7	Very low	29.8	Very low	237 Å²	237	144.5 Å²	144.5	89%	0.894	81%	0.807	S	S	*	*			trans	-90.6	161.4	162.3	-73	174	169.8	150.6	-3.1	110.9
472	P	37.5	Very low	30.1	Very low	116 Å²	116	144.2 Å²	144.2	75%	0.753	81%	0.807	S	S	*	*				-144.5	-160.3	76.1	41.1	-21	0	0	0	112
473	R	27.3	Very low	29.9	Very low	230 Å²	230	139.1 Å²	139.1	87%	0.868	80%	0.803	S	S	*	*			cis	-155.6	111.3	-1.9	-142.6	162.7	-165.3	159.5	4.1	106.1
474	A	26.9	Very low	29.2	Very low	106 Å²	106	139.6 Å²	139.6	88%	0.876	82%	0.816	S	S	*	*				70	123.8	85.7	0	0	0	0	0	116.6
475	G	25.1	Very low	28.3	Very low	78 Å²	78	143.8 Å²	143.8	80%	0.804	82%	0.815	S	S	*	*			trans	177.3	75.6	178	0	0	0	0	0	114.3
476	S	27.6	Very low	28.4	Very low	125 Å²	125	147.7 Å²	147.7	87%	0.874	82%	0.817	S	S	*	*			trans	22	140.6	149	-135	0	0	0	0	121.2
477	A	23.9	Very low	28.5	Very low	90 Å²	90	151.6 Å²	151.6	74%	0.744	81%	0.812	S	S	*	*			cis	-147.2	159.8	30.6	0	0	0	0	0	115.7
478	R	25	Very low	28.3	Very low	233 Å²	233	146.4 Å²	146.4	88%	0.879	81%	0.805	S	S	*	*			trans	-160.3	161.7	176	-93.6	-167.5	179.8	-135.2	3.4	105.6
479	V	25.3	Very low	28.4	Very low	102 Å²	102	145.1 Å²	145.1	62%	0.618	81%	0.809	S	S	*	*			cis	-168.4	163.3	16.1	112.3	0	0	0	0	109.7
480	W	23.7	Very low	27.1	Very low	219 Å²	219	145.9 Å²	145.9	83%	0.83	82%	0.815	S	S	*	*			trans	5.7	155.1	151	-51.6	39.1	0	0	0	120
481	R	24.8	Very low	27	Very low	217 Å²	217	146 Å²	146	82%	0.819	82%	0.816	S	S	*	*			cis	-149.4	-153.5	38.7	-134	-160.6	-69.3	-161.9	-0.2	109.9
482	P	35.3	Very low	26.5	Very low	125 Å²	125	139.2 Å²	139.2	81%	0.812	81%	0.811	S	S	*	*			cis	-117.1	-117	7.4	40.9	-22.9	0	0	0	115
483	G	22.2	Very low	25.9	Very low	72 Å²	72	139.1 Å²	139.1	74%	0.742	81%	0.813	S	S	*	*			trans	-163.5	-172.7	-179.5	0	0	0	0	0	111.2
484	A	29.4	Very low	25.8	Very low	114 Å²	114	134.2 Å²	134.2	94%	0.942	81%	0.808	S	S	*	*			trans	-134.9	145.7	-174.3	0	0	0	0	0	114.1
485	R	27.1	Very low	25.8	Very low	214 Å²	214	133.8 Å²	133.8	81%	0.808	80%	0.799	S	S	*	*			trans	-149.6	133.4	168.6	175.7	-172.8	-175.7	-175.2	1.8	106.7
486	D	26.8	Very low	25.6	Very low	165 Å²	165	136.1 Å²	136.1	88%	0.882	79%	0.793	S	S	*	*			trans	-159.8	163.7	149.2	-118.7	-25.9	0	0	0	113.3
487	Q	25.4	Very low	25.5	Very low	166 Å²	166	134.7 Å²	134.7	78%	0.776	78%	0.783	S	S	*	*			trans	-130	161.7	-175	-73.2	-177.7	-9	0	0	112.7
488	G	22.6	Very low	25.5	Very low	71 Å²	71	135.8 Å²	135.8	73%	0.732	79%	0.785	S	S	*	*			trans	132.4	134.4	172	0	0	0	0	0	111.1
489	T	24.6	Very low	25.9	Very low	147 Å²	147	133.5 Å²	133.5	90%	0.902	78%	0.784	S	S	*	*			cis	-158	157.4	20.3	-49.9	0	0	0	0	110.2
490	C	23	Very low	26.2	Very low	117 Å²	117	134.4 Å²	134.4	79%	0.791	79%	0.792	S	S	*	*			trans	-97.6	162.6	175.1	-54.5	0	0	0	0	112.6
491	P	30.2	Very low	26.2	Very low	121 Å²	121	131.6 Å²	131.6	79%	0.786	79%	0.793	S	S	*	*				-138.6	145.9	85.6	22.9	-1.1	0	0	0	114.2
492	A	23.6	Very low	26.1	Very low	95 Å²	95	129.5 Å²	129.5	79%	0.785	80%	0.797	S	S	*	*				50.2	126.9	88.9	0	0	0	0	0	113.8
493	S	25	Very low	25.5	Very low	114 Å²	114	128.6 Å²	128.6	80%	0.797	79%	0.793	S	S	*	*			cis	-170.9	172.5	39.9	47.4	0	0	0	0	109
494	V	24.4	Very low	25.6	Very low	127 Å²	127	132.7 Å²	132.7	77%	0.77	80%	0.798	S	S	*	*			cis	-148.9	141.9	27.7	176.7	0	0	0	0	111.1
495	S	26.2	Very low	25.4	Very low	97 Å²	97	138.9 Å²	138.9	68%	0.678	80%	0.797	S	S	*	*			trans	-6	165.5	148.1	-63.1	0	0	0	0	122.1
496	D	22.7	Very low	25.1	Very low	127 Å²	127	132.3 Å²	132.3	68%	0.679	80%	0.796	S	S	*	*			cis	-164	153.8	-11	-107.6	-48.6	0	0	0	106.8
497	S	25.1	Very low	25	Very low	96 Å²	96	130.4 Å²	130.4	67%	0.671	80%	0.796	S	S	*	*				50.8	130.1	78	-32.8	0	0	0	0	113.5
498	S	24.1	Very low	25	Very low	113 Å²	113	127.8 Å²	127.8	79%	0.79	80%	0.796	S	S	*	*			cis	-155.5	168.7	13	-59.3	0	0	0	0	111.9
499	H	32.8	Very low	25.2	Very low	184 Å²	184	131.2 Å²	131.2	85%	0.852	80%	0.802	S	S	*	*			trans	-49.6	158.1	178.5	-47.3	-84.1	0	0	0	116.7
500	P	31.4	Very low	25.2	Very low	122 Å²	122	131.3 Å²	131.3	79%	0.792	80%	0.797	S	S	*	*				-153	-178.8	77.5	41.3	-20.4	0	0	0	118.8
501	L	23.6	Very low	25.5	Very low	160 Å²	160	137 Å²	137	84%	0.838	80%	0.802	S	S	*	*			trans	-39.9	149.8	172.9	-59.7	139.6	0	0	0	118.2
502	L	23.6	Very low	25.5	Very low	173 Å²	173	136.5 Å²	136.5	91%	0.906	80%	0.798	S	S	*	*				178.8	168	111.3	-98.6	166.6	0	0	0	115
503	S	21.4	Very low	25.4	Very low	106 Å²	106	141.2 Å²	141.2	74%	0.741	80%	0.804	S	S	*	*			trans	-94.2	158.5	-163.1	-49.9	0	0	0	0	116.9
504	N	24.5	Very low	25.4	Very low	158 Å²	158	140 Å²	140	85%	0.845	80%	0.801	S	S	*	*				120.3	146.3	118.3	-143.6	4.4	0	0	0	118.6
505	R	24.8	Very low	25.4	Very low	243 Å²	243	138.6 Å²	138.6	92%	0.917	80%	0.797	S	S	*	*			trans	72.3	120	158.6	-165.2	177.1	174.7	-165.8	-1.2	117.2
506	G	22.4	Very low	25.5	Very low	76 Å²	76	142.7 Å²	142.7	78%	0.784	81%	0.808	S	S	*	*			cis	155.9	135.1	-7.2	0	0	0	0	0	111.6
507	S	24	Very low	25.6	Very low	126 Å²	126	142.1 Å²	142.1	88%	0.881	81%	0.809	S	S	*	*			trans	-163.2	125	163	-171.7	0	0	0	0	110.6
508	S	24.6	Very low	25.8	Very low	111 Å²	111	142.4 Å²	142.4	78%	0.776	81%	0.808	S	S	*	*			trans	-97.3	133.9	179.6	50.9	0	0	0	0	111.8
509	V	27.6	Very low	26	Very low	142 Å²	142	141 Å²	141	86%	0.861	79%	0.792	S	S	*	*			trans	-144.3	139.8	145.2	-175.2	0	0	0	0	108.2
510	D	25.3	Very low	26	Very low	150 Å²	150	135.3 Å²	135.3	80%	0.802	78%	0.777	S	S	*	*			trans	-73.1	165.9	-169.7	-70	-74.7	0	0	0	117.4
511	R	28.3	Very low	26.1	Very low	237 Å²	237	136.9 Å²	136.9	89%	0.894	77%	0.771	S	S	*	*			trans	91	152.5	137.3	-133.1	-179.8	163.2	172	-3	118.7
512	P	30.2	Very low	26.6	Very low	109 Å²	109	135.5 Å²	135.5	71%	0.708	76%	0.76	S	S	*	*				-117.1	177.8	-56.7	34.7	-22.4	0	0	0	112.6
513	E	22.3	Very low	27.1	Very low	195 Å²	195	131.4 Å²	131.4	91%	0.911	74%	0.739	S	S	*	*	P	Polyproline II helix	trans	-55.4	134	176.3	-63.8	168	113.5	0	0	113.6	S515	E513-S515 PolarHBondContact O-N 2.89Å
514	A	24.3	Very low	27.6	Very low	88 Å²	88	135.5 Å²	135.5	73%	0.727	74%	0.738	S	S	*	*	P	Polyproline II helix	trans	-78.4	119.6	172.9	0	0	0	0	0	110.5	M516	A514-M516 PolarHBondContact O-N 3.02Å
515	S	23.8	Very low	28.1	Very low	98 Å²	98	131.5 Å²	131.5	69%	0.685	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-60.2	126.7	170.2	46.4	0	0	0	0	110.9	E513 T517	E513-S515 PolarHBondContact O-N 2.89Å; S515-T517 VanDerWaalsContact C-N 3.28Å; S515-T517 PolarHBondContact O-N 3.29Å
516	M	28.2	Very low	28.4	Very low	183 Å²	183	126.5 Å²	126.5	90%	0.901	70%	0.703	S	S	*	*			trans	-75.6	79.9	171.2	-78.6	-77.8	141.8	0	0	110.1	A514	A514-M516 PolarHBondContact O-N 3.02Å
517	T	24.8	Very low	28.7	Very low	114 Å²	114	130.5 Å²	130.5	70%	0.699	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-93.4	117.3	165.1	47.9	0	0	0	0	109.8	S515 D519	S515-T517 VanDerWaalsContact C-N 3.28Å; S515-T517 PolarHBondContact O-N 3.29Å; T517-D519 PolarHBondContact O-N 3.12Å
518	P	29.6	Very low	28.8	Very low	102 Å²	102	128 Å²	128	66%	0.662	68%	0.682	S	S	*	*	P	Polyproline II helix	trans	-68.9	123.4	161.2	-9	25.5	0	0	0	107.8	A520	P518-A520 PolarHBondContact O-N 3.37Å
519	D	28.6	Very low	29.1	Very low	83 Å²	83	129.2 Å²	129.2	44%	0.444	68%	0.675	S	S	.	*	P	Polyproline II helix	trans	-56.6	123	171.4	176.7	-3.9	0	0	0	108.8	T517 K521 H522	T517-D519 PolarHBondContact O-N 3.12Å; D519-K521 PolarHBondContact O-N 3.45Å; D519-K521 WeakPolarHBondContact OD1-CG 3.48Å; D519-K521 PolarHBondContact OD1-N 3.38Å; D519-K521 VanDerWaalsContact OD1-N 3.09Å; D519-H522 PolarHBondContact O-N 2.94Å
520	A	31.9	Very low	29.4	Very low	65 Å²	65	126.7 Å²	126.7	54%	0.537	66%	0.662	S	S	.	*	H	α-helix	trans	-56.4	-18.2	-175.6	0	0	0	0	0	113.4	P518 H522	P518-A520 PolarHBondContact O-N 3.37Å; A520-H522 VanDerWaalsContact C-N 3.28Å; A520-H522 PolarHBondContact O-N 3.42Å
521	K	33.5	Very low	30	Very low	156 Å²	156	122.4 Å²	122.4	68%	0.678	64%	0.641	S	S	*	*	H	α-helix	trans	-66.6	-24.4	173.3	-65.5	170.3	-172	163.1	0	113.9	D519	D519-K521 PolarHBondContact O-N 3.45Å; D519-K521 WeakPolarHBondContact OD1-CG 3.48Å; D519-K521 PolarHBondContact OD1-N 3.38Å; D519-K521 VanDerWaalsContact OD1-N 3.09Å
522	H	35.2	Very low	30.5	Very low	130 Å²	130	120.5 Å²	120.5	60%	0.602	64%	0.642	S	S	*	*	H	α-helix	trans	-82.4	-26.5	-179.6	-79.4	-84.7	0	0	0	113.9	D519 A520 L525	D519-H522 PolarHBondContact O-N 2.94Å; A520-H522 VanDerWaalsContact C-N 3.28Å; A520-H522 PolarHBondContact O-N 3.42Å; H522-L525 PolarHBondContact O-N 2.99Å
523	L	33.1	Very low	31.1	Very low	87 Å²	87	120 Å²	120	46%	0.455	64%	0.641	S	S	.	*	H	α-helix	trans	-67.5	-35	-179.1	-85.6	138	0	0	0	113.1	L525 E526	L523-L525 VanDerWaalsContact C-N 3.28Å; L523-L525 PolarHBondContact O-N 3.48Å; L523-E526 PolarHBondContact O-N 2.87Å
524	W	33.1	Very low	32.4	Very low	193 Å²	193	114.9 Å²	114.9	73%	0.731	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.3	-20.9	179.4	-71.3	97.3	0	0	0	114.2	E526	W524-E526 VanDerWaalsContact C-N 3.33Å
525	L	34	Very low	34.1	Very low	73 Å²	73	112.5 Å²	112.5	38%	0.382	60%	0.6	S	S	.	*	T	Hydrogen-bonded Turn	trans	-80.7	-14.7	175.5	-71.6	157	0	0	0	112.4	H522 L523 V689	H522-L525 PolarHBondContact O-N 2.99Å; L523-L525 VanDerWaalsContact C-N 3.28Å; L523-L525 PolarHBondContact O-N 3.48Å; L525-V689 HydrophobicContact CD2-CG1 3.67Å; L525-V689 HydrophobicContact CD2-CG2 4.05Å
526	E	30.8	Very low	36.8	Very low	139 Å²	139	111.4 Å²	111.4	65%	0.65	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-83	-21.3	-177.8	-161.2	166.7	-171.6	0	0	113.1	L523 W524	L523-E526 PolarHBondContact O-N 2.87Å; W524-E526 VanDerWaalsContact C-N 3.33Å
527	F	29.5	Very low	39.7	Very low	159 Å²	159	104 Å²	104	70%	0.697	55%	0.551	S	S	*	*	S	Bend	trans	-93.5	-4.2	177.8	-73.4	-77.8	0	0	0	115.1	H529	F527-H529 PolarHBondContact O-N 3.32Å; F527-H529 VanDerWaalsContact O-N 3.14Å
528	S	27.3	Very low	42.8	Very low	73 Å²	73	98.6 Å²	98.6	51%	0.51	52%	0.518	S	S	.	.	S	Bend	trans	-72.6	102.3	158.2	-67.2	0	0	0	0	107.9	P530	S528-P530 WeakPolarHBondContact O-CD 3.5Å
529	H	30.1	Very low	45.7	Very low	138 Å²	138	97.6 Å²	97.6	64%	0.639	50%	0.504	S	S	*	.			trans	-45.3	131.5	158.8	-83.8	-79.6	0	0	0	108	F527 V531	F527-H529 PolarHBondContact O-N 3.32Å; F527-H529 VanDerWaalsContact O-N 3.14Å; H529-V531 VanDerWaalsContact C-N 3.29Å; H529-V531 VanDerWaalsContact O-CG2 3.25Å; H529-V531 WeakPolarHBondContact O-CG2 3.3Å; H529-V531 PolarHBondContact O-N 2.96Å
530	P	32.7	Very low	48.6	Very low	89 Å²	89	97.2 Å²	97.2	58%	0.578	50%	0.5	S	S	*	.			trans	-56.9	98.4	169.6	-28.6	37.8	0	0	0	109	S528 E532 L690	S528-P530 WeakPolarHBondContact O-CD 3.5Å; P530-E532 VanDerWaalsContact C-N 3.32Å; P530-E532 PolarHBondContact O-N 2.93Å; P530-L690 HydrophobicContact CB-CD1 4.46Å; P530-L690 HydrophobicContact CB-CD2 3.78Å; P530-L690 HydrophobicContact CG-CD2 4.15Å
531	V	38.9	Very low	51.4	Low	59 Å²	59	94.3 Å²	94.3	36%	0.358	48%	0.475	S	S	.	.			trans	-71.2	95.2	-178.4	-173.5	0	0	0	0	106	H529 S533 L534	H529-V531 VanDerWaalsContact C-N 3.29Å; H529-V531 VanDerWaalsContact O-CG2 3.25Å; H529-V531 WeakPolarHBondContact O-CG2 3.3Å; H529-V531 PolarHBondContact O-N 2.96Å; V531-S533 WeakPolarHBondContact CG1-OG 3.38Å; V531-S533 PolarHBondContact O-N 3.41Å; V531-L534 HydrophobicContact CB-CB 4.24Å; V531-L534 HydrophobicContact CB-CD1 3.89Å; V531-L534 HydrophobicContact CB-CG 3.81Å; V531-L534 HydrophobicContact CG1-CB 4.39Å; V531-L534 HydrophobicContact CG1-CD1 4.48Å; V531-L534 HydrophobicContact CG1-CG 3.91Å; V531-L534 HydrophobicContact CG2-CD1 4.14Å; V531-L534 HydrophobicContact CG2-CG 4.44Å; V531-L534 PolarHBondContact O-N 3.18Å
532	E	38.5	Very low	54.2	Low	198 Å²	198	87.6 Å²	87.6	93%	0.925	45%	0.447	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.7	-15	172	-64.3	-176.5	146.8	0	0	111.3	P530	P530-E532 VanDerWaalsContact C-N 3.32Å; P530-E532 PolarHBondContact O-N 2.93Å
533	S	42.2	Very low	56.7	Low	98 Å²	98	84.7 Å²	84.7	69%	0.685	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	10.6	174.9	31.1	0	0	0	0	117	V531	V531-S533 WeakPolarHBondContact CG1-OG 3.38Å; V531-S533 PolarHBondContact O-N 3.41Å
534	L	49.7	Very low	59.5	Low	87 Å²	87	84.1 Å²	84.1	46%	0.455	44%	0.435	S	S	.	.			trans	-89.3	-8.5	173.1	-89.8	174.5	0	0	0	114.8	V531 L536	V531-L534 HydrophobicContact CB-CB 4.24Å; V531-L534 HydrophobicContact CB-CD1 3.89Å; V531-L534 HydrophobicContact CB-CG 3.81Å; V531-L534 HydrophobicContact CG1-CB 4.39Å; V531-L534 HydrophobicContact CG1-CD1 4.48Å; V531-L534 HydrophobicContact CG1-CG 3.91Å; V531-L534 HydrophobicContact CG2-CD1 4.14Å; V531-L534 HydrophobicContact CG2-CG 4.44Å; V531-L534 PolarHBondContact O-N 3.18Å; L534-L536 VanDerWaalsContact C-N 3.3Å; L534-L536 PolarHBondContact O-N 2.89Å; L534-L536 VanDerWaalsContact O-N 3.14Å
535	A	61.5	Low	62.4	Low	39 Å²	39	75.6 Å²	75.6	32%	0.322	40%	0.403	S	S	.	.	S	Bend	trans	-87.9	62.1	177.7	0	0	0	0	0	111.7	T537 P614 Y616	A535-T537 PolarHBondContact O-N 3.45Å; A535-P614 HydrophobicContact CB-CB 4.45Å; A535-Y616 HydrophobicContact CB-CE1 4.04Å
536	L	80.3	Confident	65.1	Low	74 Å²	74	75.2 Å²	75.2	39%	0.387	40%	0.397	S	S	.	.			trans	-46.3	128.6	175.9	-70.5	176.4	0	0	0	110.6	L534 E540 V541 V615 V679	L534-L536 VanDerWaalsContact C-N 3.3Å; L534-L536 PolarHBondContact O-N 2.89Å; L534-L536 VanDerWaalsContact O-N 3.14Å; L536-E540 HydrophobicContact CD2-CB 4.48Å; L536-V541 HydrophobicContact CB-CG2 3.88Å; L536-V541 HydrophobicContact CD1-CG2 4.13Å; L536-V615 HydrophobicContact CB-CG1 4.18Å; L536-V615 VanDerWaalsContact O-CB 3.27Å; L536-V615 WeakPolarHBondContact O-CB 3.4Å; L536-V615 VanDerWaalsContact O-CG1 3.22Å; L536-V615 WeakPolarHBondContact O-CG1 3.31Å; L536-V615 PolarHBondContact O-N 3.36Å; L536-V679 HydrophobicContact CD1-CG1 4.46Å
537	T	88.5	Confident	68.1	Low	29 Å²	29	73.3 Å²	73.3	18%	0.178	39%	0.394	C	S	.	.	B	Isolated β-bridge	trans	-75	160.2	175	66.5	0	0	0	0	110.9	A535 E539 E540 V541 G611 I613	A535-T537 PolarHBondContact O-N 3.45Å; T537-E539 PolarHBondContact O-N 3.5Å; T537-E540 WeakPolarHBondContact CA-OE2 3.19Å; T537-E540 VanDerWaalsContact CB-OE2 3.28Å; T537-E540 WeakPolarHBondContact CB-OE2 3.4Å; T537-E540 WeakPolarHBondContact CG2-OE2 3.44Å; T537-E540 PolarHBondContact N-OE2 2.94Å; T537-E540 PolarHBondContact O-N 3.45Å; T537-E540 VanDerWaalsContact OG1-CD 3.29Å; T537-E540 WeakPolarHBondContact OG1-CG 3.42Å; T537-E540 PolarHBondContact OG1-N 2.84Å; T537-E540 PolarHBondContact OG1-OE2 3.32Å; T537-V541 WeakPolarHBondContact O-CG2 3.31Å; T537-V541 PolarHBondContact O-N 3.2Å; T537-V541 VanDerWaalsContact O-N 3.14Å; T537-G611 WeakPolarHBondContact CB-O 3.48Å; T537-I613 VanDerWaalsContact CA-O 3.29Å; T537-I613 WeakPolarHBondContact CA-O 3.3Å
538	V	89.6	Confident	71.1	Confident	0 Å²	0	69.2 Å²	69.2	0%	0	38%	0.379	C	S	.	.	H	α-helix	trans	-58.8	-38.9	176.1	179.9	0	0	0	0	111.2	V541 M542 F590 M605 F610 G611 I613 L618	V538-V541 PolarHBondContact O-N 3.5Å; V538-M542 HydrophobicContact CG1-CG 4.17Å; V538-M542 HydrophobicContact CG1-SD 3.9Å; V538-M542 WeakPolarHBondContact O-CB 3.37Å; V538-M542 WeakPolarHBondContact O-CG 3.32Å; V538-M542 PolarHBondContact O-N 2.82Å; V538-F590 HydrophobicContact CG1-CE1 4.23Å; V538-F590 HydrophobicContact CG1-CZ 4.33Å; V538-M605 HydrophobicContact CG1-CE 3.8Å; V538-M605 HydrophobicContact CG2-CE 4.3Å; V538-F610 WeakPolarHBondContact CB-O 3.4Å; V538-F610 HydrophobicContact CG1-CD2 4.14Å; V538-G611 PolarHBondContact N-O 3.23Å; V538-I613 HydrophobicContact CB-CG1 4.48Å; V538-I613 HydrophobicContact CG2-CD1 3.99Å; V538-I613 HydrophobicContact CG2-CG1 3.46Å; V538-I613 VanDerWaalsContact CG2-CG1 3.46Å; V538-I613 PolarHBondContact N-O 3.34Å; V538-L618 HydrophobicContact CG1-CD1 4.33Å; V538-L618 HydrophobicContact CG2-CD1 3.81Å; V538-L618 HydrophobicContact CG2-CD2 3.85Å; V538-L618 HydrophobicContact CG2-CG 3.95Å
539	E	90.1	Very high	74.1	Confident	80 Å²	80	66 Å²	66	37%	0.374	36%	0.357	S	S	.	.	H	α-helix	trans	-62.7	-45	-179.8	-171.9	156	-161.4	0	0	112.2	T537 V541 M542 D543 G611	T537-E539 PolarHBondContact O-N 3.5Å; E539-V541 PolarHBondContact O-N 3.29Å; E539-M542 CarbonylContact O-C 3.48Å; E539-M542 WeakPolarHBondContact O-CB 3.43Å; E539-M542 PolarHBondContact O-N 2.98Å; E539-D543 PolarHBondContact O-N 3.26Å; E539-G611 WeakPolarHBondContact CB-O 3.49Å; E539-G611 PolarHBondContact N-O 2.96Å
540	E	89.8	Confident	76.9	Confident	76 Å²	76	65.1 Å²	65.1	36%	0.355	35%	0.351	S	S	.	.	H	α-helix	trans	-61.2	-44.9	175.4	-69.8	161.5	130.1	0	0	111.7	L536 T537 M542 D543 V544	L536-E540 HydrophobicContact CD2-CB 4.48Å; T537-E540 WeakPolarHBondContact CA-OE2 3.19Å; T537-E540 VanDerWaalsContact CB-OE2 3.28Å; T537-E540 WeakPolarHBondContact CB-OE2 3.4Å; T537-E540 WeakPolarHBondContact CG2-OE2 3.44Å; T537-E540 PolarHBondContact N-OE2 2.94Å; T537-E540 PolarHBondContact O-N 3.45Å; T537-E540 VanDerWaalsContact OG1-CD 3.29Å; T537-E540 WeakPolarHBondContact OG1-CG 3.42Å; T537-E540 PolarHBondContact OG1-N 2.84Å; T537-E540 PolarHBondContact OG1-OE2 3.32Å; E540-M542 VanDerWaalsContact C-N 3.28Å; E540-M542 PolarHBondContact O-N 3.36Å; E540-D543 PolarHBondContact O-N 3.19Å; E540-D543 VanDerWaalsContact O-N 3.1Å; E540-V544 WeakPolarHBondContact O-CG2 3.3Å; E540-V544 PolarHBondContact O-N 2.91Å
541	V	90.4	Very high	79.6	Confident	3 Å²	3	63.2 Å²	63.2	2%	0.018	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-34.3	176.7	177.8	0	0	0	0	111.5	L536 T537 V538 E539 R545 F590 V615 F675 V676 V679	L536-V541 HydrophobicContact CB-CG2 3.88Å; L536-V541 HydrophobicContact CD1-CG2 4.13Å; T537-V541 WeakPolarHBondContact O-CG2 3.31Å; T537-V541 PolarHBondContact O-N 3.2Å; T537-V541 VanDerWaalsContact O-N 3.14Å; V538-V541 PolarHBondContact O-N 3.5Å; E539-V541 PolarHBondContact O-N 3.29Å; V541-R545 WeakPolarHBondContact O-CB 3.2Å; V541-R545 PolarHBondContact O-N 3.28Å; V541-R545 VanDerWaalsContact O-N 3.11Å; V541-F590 HydrophobicContact CB-CE1 4.39Å; V541-F590 HydrophobicContact CG1-CD1 4.08Å; V541-F590 HydrophobicContact CG1-CE1 3.9Å; V541-V615 HydrophobicContact CB-CG2 4.46Å; V541-V615 HydrophobicContact CG1-CG2 4.44Å; V541-V615 HydrophobicContact CG2-CB 4.08Å; V541-V615 HydrophobicContact CG2-CG1 4.28Å; V541-V615 HydrophobicContact CG2-CG2 4Å; V541-F675 HydrophobicContact CG1-CE1 3.81Å; V541-V676 HydrophobicContact CG1-CG2 4.23Å; V541-V679 HydrophobicContact CG1-CG1 4.41Å; V541-V679 HydrophobicContact CG2-CG1 3.94Å
542	M	92.1	Very high	82	Confident	15 Å²	15	63.9 Å²	63.9	7%	0.074	34%	0.342	C	S	.	.	H	α-helix	trans	-67.8	-37.4	172	-68.7	175	34.6	0	0	112.3	V538 E539 E540 R546 L589 F590 F610	V538-M542 HydrophobicContact CG1-CG 4.17Å; V538-M542 HydrophobicContact CG1-SD 3.9Å; V538-M542 WeakPolarHBondContact O-CB 3.37Å; V538-M542 WeakPolarHBondContact O-CG 3.32Å; V538-M542 PolarHBondContact O-N 2.82Å; E539-M542 CarbonylContact O-C 3.48Å; E539-M542 WeakPolarHBondContact O-CB 3.43Å; E539-M542 PolarHBondContact O-N 2.98Å; E540-M542 VanDerWaalsContact C-N 3.28Å; E540-M542 PolarHBondContact O-N 3.36Å; M542-R546 WeakPolarHBondContact O-CG 3.31Å; M542-R546 PolarHBondContact O-N 3.08Å; M542-R546 PolarHBondContact O-NH1 2.97Å; M542-L589 HydrophobicContact SD-CD1 4.39Å; M542-L589 HydrophobicContact SD-CG 4.1Å; M542-F590 HydrophobicContact CB-CD1 4.18Å; M542-F590 HydrophobicContact CG-CB 4.43Å; M542-F590 HydrophobicContact CG-CD1 3.43Å; M542-F590 VanDerWaalsContact CG-CD1 3.43Å; M542-F590 HydrophobicContact CG-CE1 3.76Å; M542-F590 HydrophobicContact CG-CG 4.03Å; M542-F610 HydrophobicContact SD-CE2 4.07Å
543	D	89.7	Confident	84.2	Confident	70 Å²	70	55 Å²	55	37%	0.374	30%	0.301	S	S	.	.	H	α-helix	trans	-70.5	-46.3	175.7	-92.7	-53.2	0	0	0	112.7	E539 E540 R545 R546 V547	E539-D543 PolarHBondContact O-N 3.26Å; E540-D543 PolarHBondContact O-N 3.19Å; E540-D543 VanDerWaalsContact O-N 3.1Å; D543-R545 VanDerWaalsContact C-N 3.33Å; D543-R545 PolarHBondContact O-N 2.91Å; D543-R546 WeakPolarHBondContact O-CB 3.11Å; D543-R546 PolarHBondContact O-N 3.27Å; D543-R546 IonicContact OD1-CZ 2.85Å; D543-R546 IonicContact OD1-NE 2.72Å; D543-R546 PolarHBondContact OD1-NE 3.17Å; D543-R546 IonicContact OD1-NH2 2.74Å; D543-R546 PolarHBondContact OD1-NH2 3.5Å; D543-R546 IonicContact OD2-CZ 2.59Å; D543-R546 IonicContact OD2-NH2 3.25Å; D543-R546 PolarHBondContact OD2-NH2 3.42Å; D543-V547 PolarHBondContact O-N 3.4Å
544	V	91	Very high	86.4	Confident	74 Å²	74	54 Å²	54	45%	0.448	29%	0.285	S	S	.	.	H	α-helix	trans	-53.8	-50.2	173.9	171.4	0	0	0	0	110.3	E540 R546 V547 L548 F675	E540-V544 WeakPolarHBondContact O-CG2 3.3Å; E540-V544 PolarHBondContact O-N 2.91Å; V544-R546 VanDerWaalsContact C-N 3.33Å; V544-R546 PolarHBondContact O-N 3.12Å; V544-V547 PolarHBondContact O-N 3.41Å; V544-L548 HydrophobicContact CG1-CD1 3.96Å; V544-L548 HydrophobicContact CG1-CG 4.45Å; V544-L548 WeakPolarHBondContact O-CG 3.27Å; V544-L548 PolarHBondContact O-N 2.91Å; V544-F675 HydrophobicContact CG1-CZ 4.08Å
545	R	93.2	Very high	88.2	Confident	15 Å²	15	58 Å²	58	6%	0.057	30%	0.299	C	S	.	.	H	α-helix	trans	-68.8	-27.8	179.2	-166.7	63.1	-170.3	139.6	9.3	113.1	V541 D543 V549 E552 F590 C591 E671 C672 F675	V541-R545 WeakPolarHBondContact O-CB 3.2Å; V541-R545 PolarHBondContact O-N 3.28Å; V541-R545 VanDerWaalsContact O-N 3.11Å; D543-R545 VanDerWaalsContact C-N 3.33Å; D543-R545 PolarHBondContact O-N 2.91Å; R545-V549 HydrophobicContact CG-CG2 4.27Å; R545-V549 VanDerWaalsContact NH2-CG2 3.34Å; R545-V549 WeakPolarHBondContact O-CB 3.36Å; R545-V549 VanDerWaalsContact O-CG2 3.31Å; R545-V549 WeakPolarHBondContact O-CG2 3.44Å; R545-V549 PolarHBondContact O-N 3.4Å; R545-E552 IonicContact CZ-OE1 3.8Å; R545-E552 IonicContact CZ-OE2 2.75Å; R545-E552 IonicContact NH1-OE1 3.43Å; R545-E552 PolarHBondContact NH1-OE1 2.7Å; R545-E552 IonicContact NH1-OE2 3.47Å; R545-E552 IonicContact NH2-OE1 3.13Å; R545-E552 PolarHBondContact NH2-OE1 3.19Å; R545-E552 IonicContact NH2-OE2 2.79Å; R545-E552 PolarHBondContact NH2-OE2 3.22Å; R545-E552 VanDerWaalsContact NH2-OE2 3.14Å; R545-F590 HydrophobicContact CB-CB 4.34Å; R545-F590 HydrophobicContact CG-CB 4.34Å; R545-C591 HydrophobicContact CG-CB 4.27Å; R545-E671 IonicContact NH2-OE2 2.71Å; R545-E671 PolarHBondContact NH2-OE2 3.28Å; R545-C672 VanDerWaalsContact CG-SG 3.51Å; R545-F675 HydrophobicContact CB-CD1 4.18Å; R545-F675 HydrophobicContact CB-CE1 3.84Å; R545-F675 HydrophobicContact CG-CD1 4.11Å; R545-F675 HydrophobicContact CG-CE1 4.27Å
546	R	92.4	Very high	89.3	Confident	65 Å²	65	59 Å²	59	25%	0.245	30%	0.296	C	S	.	.	H	α-helix	trans	-63	-44.9	170.5	-84.4	-171.5	-69.5	-88	23.1	111.8	M542 D543 V544 K550 F590 K592	M542-R546 WeakPolarHBondContact O-CG 3.31Å; M542-R546 PolarHBondContact O-N 3.08Å; M542-R546 PolarHBondContact O-NH1 2.97Å; D543-R546 WeakPolarHBondContact O-CB 3.11Å; D543-R546 PolarHBondContact O-N 3.27Å; D543-R546 IonicContact OD1-CZ 2.85Å; D543-R546 IonicContact OD1-NE 2.72Å; D543-R546 PolarHBondContact OD1-NE 3.17Å; D543-R546 IonicContact OD1-NH2 2.74Å; D543-R546 PolarHBondContact OD1-NH2 3.5Å; D543-R546 IonicContact OD2-CZ 2.59Å; D543-R546 IonicContact OD2-NH2 3.25Å; D543-R546 PolarHBondContact OD2-NH2 3.42Å; V544-R546 VanDerWaalsContact C-N 3.33Å; V544-R546 PolarHBondContact O-N 3.12Å; R546-K550 WeakPolarHBondContact O-CB 3.49Å; R546-K550 PolarHBondContact O-N 3.38Å; R546-F590 WeakPolarHBondContact CG-O 3.27Å; R546-K592 HydrophobicContact CG-CG 4.31Å
547	V	93.1	Very high	89.4	Confident	99 Å²	99	60.1 Å²	60.1	60%	0.6	30%	0.302	S	S	*	.	H	α-helix	trans	-66.2	-48.3	179.3	176.3	0	0	0	0	110.6	D543 V544 V549 K550 A551	D543-V547 PolarHBondContact O-N 3.4Å; V544-V547 PolarHBondContact O-N 3.41Å; V547-V549 PolarHBondContact O-N 3.05Å; V547-K550 WeakPolarHBondContact O-CB 3.34Å; V547-K550 PolarHBondContact O-N 2.71Å; V547-K550 VanDerWaalsContact O-N 3.07Å; V547-A551 PolarHBondContact O-N 3.29Å
548	L	91.3	Very high	89.2	Confident	73 Å²	73	67.9 Å²	67.9	38%	0.382	34%	0.336	S	S	.	.	H	α-helix	trans	-57.3	-50.2	177.8	-67.5	173.9	0	0	0	112.1	V544 K550 A551 E552 F675	V544-L548 HydrophobicContact CG1-CD1 3.96Å; V544-L548 HydrophobicContact CG1-CG 4.45Å; V544-L548 WeakPolarHBondContact O-CG 3.27Å; V544-L548 PolarHBondContact O-N 2.91Å; L548-K550 PolarHBondContact O-N 3.35Å; L548-A551 PolarHBondContact O-N 3.21Å; L548-A551 VanDerWaalsContact O-N 3.13Å; L548-E552 WeakPolarHBondContact O-CG 3.27Å; L548-E552 PolarHBondContact O-N 3.36Å; L548-F675 HydrophobicContact CD1-CE2 4.19Å; L548-F675 HydrophobicContact CD1-CZ 4.41Å
549	V	91.2	Very high	89.2	Confident	6 Å²	6	71.4 Å²	71.4	4%	0.036	36%	0.355	C	S	.	.	H	α-helix	trans	-66.7	-23.4	178.3	174.5	0	0	0	0	112.5	R545 V547 M553 C591 R593	R545-V549 HydrophobicContact CG-CG2 4.27Å; R545-V549 VanDerWaalsContact NH2-CG2 3.34Å; R545-V549 WeakPolarHBondContact O-CB 3.36Å; R545-V549 VanDerWaalsContact O-CG2 3.31Å; R545-V549 WeakPolarHBondContact O-CG2 3.44Å; R545-V549 PolarHBondContact O-N 3.4Å; V547-V549 PolarHBondContact O-N 3.05Å; V549-M553 WeakPolarHBondContact O-CB 3.28Å; V549-M553 WeakPolarHBondContact O-CG 3.46Å; V549-M553 PolarHBondContact O-N 2.59Å; V549-C591 HydrophobicContact CB-CB 3.95Å; V549-C591 HydrophobicContact CG1-CB 4.06Å; V549-C591 HydrophobicContact CG2-CB 3.61Å; V549-R593 HydrophobicContact CG1-CG 3.81Å
550	K	89.7	Confident	89	Confident	118 Å²	118	75.7 Å²	75.7	51%	0.513	37%	0.373	S	S	.	.	H	α-helix	trans	-70.5	-47.1	171.2	-171.4	-174.5	172	-101	0	110.9	R546 V547 L548 M553 E554	R546-K550 WeakPolarHBondContact O-CB 3.49Å; R546-K550 PolarHBondContact O-N 3.38Å; V547-K550 WeakPolarHBondContact O-CB 3.34Å; V547-K550 PolarHBondContact O-N 2.71Å; V547-K550 VanDerWaalsContact O-N 3.07Å; L548-K550 PolarHBondContact O-N 3.35Å; K550-M553 WeakPolarHBondContact O-CB 3.48Å; K550-M553 PolarHBondContact O-N 3.47Å; K550-E554 WeakPolarHBondContact CE-OE1 3.4Å; K550-E554 IonicContact NZ-OE1 2.67Å; K550-E554 PolarHBondContact NZ-OE1 3.05Å; K550-E554 WeakPolarHBondContact O-CG 3.34Å; K550-E554 PolarHBondContact O-N 2.76Å
551	A	88.9	Confident	89	Confident	50 Å²	50	78 Å²	78	41%	0.413	38%	0.383	S	S	.	.	H	α-helix	trans	-65	-43.9	177.1	0	0	0	0	0	112.4	V547 L548 M553 E554	V547-A551 PolarHBondContact O-N 3.29Å; L548-A551 PolarHBondContact O-N 3.21Å; L548-A551 VanDerWaalsContact O-N 3.13Å; A551-M553 PolarHBondContact O-N 2.95Å; A551-E554 PolarHBondContact O-N 3.06Å
552	E	88.5	Confident	88.9	Confident	73 Å²	73	80.7 Å²	80.7	34%	0.341	40%	0.397	S	S	.	.	H	α-helix	trans	-53.2	-36.7	171.8	-73.9	166.6	-169.8	0	0	112	R545 L548	R545-E552 IonicContact CZ-OE1 3.8Å; R545-E552 IonicContact CZ-OE2 2.75Å; R545-E552 IonicContact NH1-OE1 3.43Å; R545-E552 PolarHBondContact NH1-OE1 2.7Å; R545-E552 IonicContact NH1-OE2 3.47Å; R545-E552 IonicContact NH2-OE1 3.13Å; R545-E552 PolarHBondContact NH2-OE1 3.19Å; R545-E552 IonicContact NH2-OE2 2.79Å; R545-E552 PolarHBondContact NH2-OE2 3.22Å; R545-E552 VanDerWaalsContact NH2-OE2 3.14Å; L548-E552 WeakPolarHBondContact O-CG 3.27Å; L548-E552 PolarHBondContact O-N 3.36Å
553	M	86.1	Confident	88.8	Confident	12 Å²	12	82.2 Å²	82.2	6%	0.059	40%	0.403	C	S	.	.	H	α-helix	trans	-78.6	-27.8	177.4	-81.4	-171.8	49.4	0	0	114.6	V549 K550 A551 K555 F556 F563 L566 K567 R593	V549-M553 WeakPolarHBondContact O-CB 3.28Å; V549-M553 WeakPolarHBondContact O-CG 3.46Å; V549-M553 PolarHBondContact O-N 2.59Å; K550-M553 WeakPolarHBondContact O-CB 3.48Å; K550-M553 PolarHBondContact O-N 3.47Å; A551-M553 PolarHBondContact O-N 2.95Å; M553-K555 PolarHBondContact O-N 3.1Å; M553-F556 PolarHBondContact O-N 3.18Å; M553-F563 HydrophobicContact CB-CD2 4.43Å; M553-F563 HydrophobicContact CB-CE2 4.19Å; M553-F563 HydrophobicContact CE-CD2 4.11Å; M553-F563 HydrophobicContact CE-CE2 4.12Å; M553-F563 VanDerWaalsContact O-CD2 3.28Å; M553-F563 WeakPolarHBondContact O-CD2 3.49Å; M553-L566 HydrophobicContact CE-CB 3.32Å; M553-L566 HydrophobicContact CE-CD1 4.22Å; M553-L566 HydrophobicContact CE-CG 4.37Å; M553-L566 HydrophobicContact CG-CD1 4.27Å; M553-L566 HydrophobicContact SD-CB 3.9Å; M553-L566 HydrophobicContact SD-CD1 4.41Å; M553-K567 HydrophobicContact CE-CB 4.41Å; M553-R593 PolarHBondContact SD-NH1 3.18Å; M553-R593 PolarHBondContact SD-NH2 3.47Å
554	E	87.2	Confident	88.8	Confident	77 Å²	77	80.9 Å²	80.9	36%	0.36	40%	0.4	S	S	.	.	H	α-helix	trans	-65.5	-21.7	178.9	-75.8	166.2	-174.9	0	0	111.5	K550 A551 F556 L557	K550-E554 WeakPolarHBondContact CE-OE1 3.4Å; K550-E554 IonicContact NZ-OE1 2.67Å; K550-E554 PolarHBondContact NZ-OE1 3.05Å; K550-E554 WeakPolarHBondContact O-CG 3.34Å; K550-E554 PolarHBondContact O-N 2.76Å; A551-E554 PolarHBondContact O-N 3.06Å; E554-F556 PolarHBondContact O-N 3.24Å; E554-F556 VanDerWaalsContact O-N 3.11Å; E554-L557 HydrophobicContact CB-CD1 4.02Å; E554-L557 HydrophobicContact CB-CG 4.44Å; E554-L557 HydrophobicContact CG-CD1 4.26Å; E554-L557 WeakPolarHBondContact O-CB 3.14Å; E554-L557 WeakPolarHBondContact O-CD1 3.29Å; E554-L557 WeakPolarHBondContact O-CG 3.5Å; E554-L557 PolarHBondContact O-N 3.33Å
555	K	87.2	Confident	88.8	Confident	169 Å²	169	78 Å²	78	74%	0.735	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.6	-26.7	166.5	-58.5	-170.4	177.3	-167.5	0	113.8	M553	M553-K555 PolarHBondContact O-N 3.1Å
556	F	84.3	Confident	88.6	Confident	61 Å²	61	77.9 Å²	77.9	27%	0.268	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	9.8	179	-56.1	-72.4	0	0	0	114	M553 E554 Q558 N559 F563 L566	M553-F556 PolarHBondContact O-N 3.18Å; E554-F556 PolarHBondContact O-N 3.24Å; E554-F556 VanDerWaalsContact O-N 3.11Å; F556-Q558 PolarHBondContact O-N 3.14Å; F556-Q558 VanDerWaalsContact O-N 3.14Å; F556-N559 CarbonylContact O-C 3.55Å; F556-N559 VanDerWaalsContact O-C 3.29Å; F556-N559 WeakPolarHBondContact O-CA 3.29Å; F556-N559 PolarHBondContact O-N 3.19Å; F556-N559 VanDerWaalsContact O-O 3.06Å; F556-F563 HydrophobicContact CB-CB 4.4Å; F556-L566 HydrophobicContact CD2-CD1 4.32Å
557	L	83.4	Confident	88.5	Confident	97 Å²	97	82 Å²	82	51%	0.508	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-29.8	179.3	-78.6	168.4	0	0	0	113.7	E554 N559 F563	E554-L557 HydrophobicContact CB-CD1 4.02Å; E554-L557 HydrophobicContact CB-CG 4.44Å; E554-L557 HydrophobicContact CG-CD1 4.26Å; E554-L557 WeakPolarHBondContact O-CB 3.14Å; E554-L557 WeakPolarHBondContact O-CD1 3.29Å; E554-L557 WeakPolarHBondContact O-CG 3.5Å; E554-L557 PolarHBondContact O-N 3.33Å; L557-N559 VanDerWaalsContact C-N 3.35Å; L557-F563 HydrophobicContact CD2-CD1 4.26Å; L557-F563 HydrophobicContact CD2-CD2 4.46Å; L557-F563 HydrophobicContact CD2-CE1 3.99Å; L557-F563 HydrophobicContact CD2-CE2 4.2Å; L557-F563 HydrophobicContact CD2-CG 4.47Å; L557-F563 HydrophobicContact CD2-CZ 3.96Å
558	Q	84.2	Confident	88.3	Confident	193 Å²	193	84.5 Å²	84.5	90%	0.902	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-36.6	173.8	-61.2	177.1	5.5	0	0	111.8	F556 K560	F556-Q558 PolarHBondContact O-N 3.14Å; F556-Q558 VanDerWaalsContact O-N 3.14Å; Q558-K560 PolarHBondContact O-N 2.89Å
559	N	88.8	Confident	88.3	Confident	74 Å²	74	82 Å²	82	40%	0.396	40%	0.398	S	S	.	.	S	Bend	trans	-96.2	82.9	173.7	-168.3	-41.8	0	0	0	110.9	F556 L557 E561 L562 F563	F556-N559 CarbonylContact O-C 3.55Å; F556-N559 VanDerWaalsContact O-C 3.29Å; F556-N559 WeakPolarHBondContact O-CA 3.29Å; F556-N559 PolarHBondContact O-N 3.19Å; F556-N559 VanDerWaalsContact O-O 3.06Å; L557-N559 VanDerWaalsContact C-N 3.35Å; N559-E561 PolarHBondContact O-N 3.23Å; N559-E561 PolarHBondContact OD1-N 2.86Å; N559-L562 HydrophobicContact CB-CB 4.29Å; N559-L562 HydrophobicContact CB-CD1 4.34Å; N559-L562 PolarHBondContact O-N 3.31Å; N559-L562 PolarHBondContact OD1-N 2.76Å; N559-F563 PolarHBondContact O-N 3.14Å
560	K	87.2	Confident	88.3	Confident	170 Å²	170	87.6 Å²	87.6	74%	0.739	42%	0.422	S	S	*	.	H	α-helix	trans	-55.3	-34.2	-177.7	-62.7	180	-174.1	175	0	113.5	Q558 S564	Q558-K560 PolarHBondContact O-N 2.89Å; K560-S564 WeakPolarHBondContact O-CB 3.29Å; K560-S564 PolarHBondContact O-N 3.48Å; K560-S564 PolarHBondContact O-OG 3.39Å
561	E	89.9	Confident	88.5	Confident	125 Å²	125	82.2 Å²	82.2	58%	0.584	40%	0.399	S	S	*	.	H	α-helix	trans	-67.6	-51.9	178.7	-167.5	-167.6	153.2	0	0	111.2	N559 S564 S565	N559-E561 PolarHBondContact O-N 3.23Å; N559-E561 PolarHBondContact OD1-N 2.86Å; E561-S564 PolarHBondContact O-N 3.14Å; E561-S564 PolarHBondContact O-OG 3.31Å; E561-S565 WeakPolarHBondContact O-CB 3.4Å; E561-S565 PolarHBondContact O-N 3.24Å; E561-S565 PolarHBondContact O-OG 2.97Å
562	L	87.6	Confident	88.7	Confident	59 Å²	59	79.9 Å²	79.9	31%	0.309	38%	0.379	S	S	.	.	H	α-helix	trans	-61.5	-47.1	178.4	-74.7	179.7	0	0	0	111.7	N559 S564 S565 L566 I571	N559-L562 HydrophobicContact CB-CB 4.29Å; N559-L562 HydrophobicContact CB-CD1 4.34Å; N559-L562 PolarHBondContact O-N 3.31Å; N559-L562 PolarHBondContact OD1-N 2.76Å; L562-S564 VanDerWaalsContact C-N 3.34Å; L562-S564 PolarHBondContact O-N 2.86Å; L562-S565 PolarHBondContact O-N 2.79Å; L562-S565 VanDerWaalsContact O-N 3.16Å; L562-L566 PolarHBondContact O-N 3.17Å; L562-I571 HydrophobicContact CD2-CD1 4.11Å
563	F	90.4	Very high	88.9	Confident	46 Å²	46	77.3 Å²	77.3	20%	0.202	37%	0.369	C	S	.	.	H	α-helix	trans	-59.8	-44.4	177.6	-178.1	-101	0	0	0	111.8	M553 F556 L557 N559 S565 K567	M553-F563 HydrophobicContact CB-CD2 4.43Å; M553-F563 HydrophobicContact CB-CE2 4.19Å; M553-F563 HydrophobicContact CE-CD2 4.11Å; M553-F563 HydrophobicContact CE-CE2 4.12Å; M553-F563 VanDerWaalsContact O-CD2 3.28Å; M553-F563 WeakPolarHBondContact O-CD2 3.49Å; F556-F563 HydrophobicContact CB-CB 4.4Å; L557-F563 HydrophobicContact CD2-CD1 4.26Å; L557-F563 HydrophobicContact CD2-CD2 4.46Å; L557-F563 HydrophobicContact CD2-CE1 3.99Å; L557-F563 HydrophobicContact CD2-CE2 4.2Å; L557-F563 HydrophobicContact CD2-CG 4.47Å; L557-F563 HydrophobicContact CD2-CZ 3.96Å; N559-F563 PolarHBondContact O-N 3.14Å; F563-S565 VanDerWaalsContact C-N 3.31Å; F563-S565 PolarHBondContact O-N 2.94Å; F563-K567 HydrophobicContact CE1-CD 4.32Å; F563-K567 VanDerWaalsContact O-CB 3.27Å; F563-K567 WeakPolarHBondContact O-CB 3.41Å; F563-K567 PolarHBondContact O-N 3.05Å
564	S	89.9	Confident	89.1	Confident	42 Å²	42	77.6 Å²	77.6	29%	0.294	37%	0.372	S	S	.	.	H	α-helix	trans	-65.7	-34.2	177	81.3	0	0	0	0	112.4	K560 E561 L562 K568	K560-S564 WeakPolarHBondContact O-CB 3.29Å; K560-S564 PolarHBondContact O-N 3.48Å; K560-S564 PolarHBondContact O-OG 3.39Å; E561-S564 PolarHBondContact O-N 3.14Å; E561-S564 PolarHBondContact O-OG 3.31Å; L562-S564 VanDerWaalsContact C-N 3.34Å; L562-S564 PolarHBondContact O-N 2.86Å; S564-K568 VanDerWaalsContact O-CB 3.23Å; S564-K568 WeakPolarHBondContact O-CB 3.48Å; S564-K568 VanDerWaalsContact O-CG 3.22Å; S564-K568 WeakPolarHBondContact O-CG 3.38Å; S564-K568 PolarHBondContact O-N 3.29Å
565	S	90.6	Very high	89.3	Confident	15 Å²	15	76.8 Å²	76.8	11%	0.105	38%	0.375	C	S	.	.	H	α-helix	trans	-73	-41.7	179.9	-61.9	0	0	0	0	111.8	E561 L562 F563 G569 K570	E561-S565 WeakPolarHBondContact O-CB 3.4Å; E561-S565 PolarHBondContact O-N 3.24Å; E561-S565 PolarHBondContact O-OG 2.97Å; L562-S565 PolarHBondContact O-N 2.79Å; L562-S565 VanDerWaalsContact O-N 3.16Å; F563-S565 VanDerWaalsContact C-N 3.31Å; F563-S565 PolarHBondContact O-N 2.94Å; S565-G569 PolarHBondContact O-N 2.61Å; S565-G569 VanDerWaalsContact O-N 3.14Å; S565-K570 PolarHBondContact O-N 2.96Å
566	L	89.6	Confident	89.5	Confident	12 Å²	12	75.1 Å²	75.1	6%	0.063	36%	0.364	C	S	.	.	H	α-helix	trans	-63.3	-44.1	170.6	-74.1	164.6	0	0	0	111.5	M553 F556 L562 K568 G569 I571	M553-L566 HydrophobicContact CE-CB 3.32Å; M553-L566 HydrophobicContact CE-CD1 4.22Å; M553-L566 HydrophobicContact CE-CG 4.37Å; M553-L566 HydrophobicContact CG-CD1 4.27Å; M553-L566 HydrophobicContact SD-CB 3.9Å; M553-L566 HydrophobicContact SD-CD1 4.41Å; F556-L566 HydrophobicContact CD2-CD1 4.32Å; L562-L566 PolarHBondContact O-N 3.17Å; L566-K568 PolarHBondContact O-N 3.15Å; L566-G569 PolarHBondContact O-N 2.9Å; L566-I571 HydrophobicContact CD1-CD1 4.45Å; L566-I571 HydrophobicContact CD2-CD1 3.74Å; L566-I571 HydrophobicContact CD2-CG1 3.83Å; L566-I571 HydrophobicContact CG-CD1 3.58Å; L566-I571 HydrophobicContact CG-CG1 3.88Å
567	K	89.3	Confident	89.8	Confident	152 Å²	152	74.5 Å²	74.5	66%	0.661	37%	0.37	S	S	*	.	H	α-helix	trans	-66.6	-36	-179.9	-174.1	176.2	179.4	179.5	0	112.6	M553 F563 G569	M553-K567 HydrophobicContact CE-CB 4.41Å; F563-K567 HydrophobicContact CE1-CD 4.32Å; F563-K567 VanDerWaalsContact O-CB 3.27Å; F563-K567 WeakPolarHBondContact O-CB 3.41Å; F563-K567 PolarHBondContact O-N 3.05Å; K567-G569 VanDerWaalsContact C-N 3.3Å
568	K	90.3	Very high	90.2	Very high	150 Å²	150	77.4 Å²	77.4	65%	0.652	38%	0.378	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	2.3	175.6	-68.3	174.6	179.9	179.1	0	113.5	S564 L566 K570	S564-K568 VanDerWaalsContact O-CB 3.23Å; S564-K568 WeakPolarHBondContact O-CB 3.48Å; S564-K568 VanDerWaalsContact O-CG 3.22Å; S564-K568 WeakPolarHBondContact O-CG 3.38Å; S564-K568 PolarHBondContact O-N 3.29Å; L566-K568 PolarHBondContact O-N 3.15Å; K568-K570 VanDerWaalsContact C-N 3.27Å; K568-K570 HydrophobicContact CB-CG 4.14Å; K568-K570 PolarHBondContact O-N 3.24Å
569	G	90.8	Very high	90.5	Very high	22 Å²	22	69.9 Å²	69.9	23%	0.227	34%	0.343	C	S	.	.	T	Hydrogen-bonded Turn	trans	64.6	25.4	-179.4	0	0	0	0	0	114.7	S565 L566 K567 F579	S565-G569 PolarHBondContact O-N 2.61Å; S565-G569 VanDerWaalsContact O-N 3.14Å; L566-G569 PolarHBondContact O-N 2.9Å; K567-G569 VanDerWaalsContact C-N 3.3Å; G569-F579 WeakPolarHBondContact O-CD2 3.32Å; G569-F579 WeakPolarHBondContact O-CE2 3.33Å
570	K	91.4	Very high	90.5	Very high	123 Å²	123	70.9 Å²	70.9	54%	0.535	35%	0.353	S	S	.	.			trans	-82.8	-18.3	179.1	-67.3	-169.1	172.2	-163.2	0	114	S565 K568 F579	S565-K570 PolarHBondContact O-N 2.96Å; K568-K570 VanDerWaalsContact C-N 3.27Å; K568-K570 HydrophobicContact CB-CG 4.14Å; K568-K570 PolarHBondContact O-N 3.24Å; K570-F579 WeakPolarHBondContact O-CD2 3.25Å; K570-F579 PolarHBondContact O-N 3.16Å
571	I	92.6	Very high	90	Very high	5 Å²	5	70.7 Å²	70.7	3%	0.026	36%	0.359	C	S	.	.	B	Isolated β-bridge	trans	-130	149.4	175.1	51.9	162.3	0	0	0	110.2	L562 L566 R576 A577 K578 F579	L562-I571 HydrophobicContact CD2-CD1 4.11Å; L566-I571 HydrophobicContact CD1-CD1 4.45Å; L566-I571 HydrophobicContact CD2-CD1 3.74Å; L566-I571 HydrophobicContact CD2-CG1 3.83Å; L566-I571 HydrophobicContact CG-CD1 3.58Å; L566-I571 HydrophobicContact CG-CG1 3.88Å; I571-R576 HydrophobicContact CD1-CB 4.37Å; I571-A577 CarbonylContact C-O 3.55Å; I571-A577 VanDerWaalsContact CA-O 3.22Å; I571-A577 WeakPolarHBondContact CA-O 3.48Å; I571-K578 HydrophobicContact CG2-CB 4.11Å; I571-K578 HydrophobicContact CG2-CG 3.45Å; I571-K578 VanDerWaalsContact CG2-CG 3.45Å; I571-F579 WeakPolarHBondContact O-CE2 3.45Å
572	C	93.5	Very high	89.5	Confident	0 Å²	0	74.2 Å²	74.2	0%	0	37%	0.373	C	S	.	.			trans	-61	134.7	176	178.1	0	0	0	0	111	C574 C575 R576 A577 F579 C596	C572-C574 VanDerWaalsContact C-N 3.31Å; C572-C574 PolarHBondContact O-N 2.85Å; C572-C575 VanDerWaalsContact CB-SG 3.55Å; C572-R576 WeakPolarHBondContact O-CA 3.28Å; C572-R576 PolarHBondContact O-N 3.12Å; C572-A577 PolarHBondContact N-O 3.03Å; C572-F579 VanDerWaalsContact CA-CZ 3.44Å; C572-F579 HydrophobicContact CB-CE1 4.12Å; C572-F579 HydrophobicContact CB-CZ 3.76Å; C572-C596 HydrophobicContact CB-CB 4.23Å; C572-C596 PolarHBondContact SG-N 3.02Å
573	C	92.1	Very high	89.1	Confident	20 Å²	20	73.7 Å²	73.7	14%	0.135	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.1	-35.9	-179.7	61.4	0	0	0	0	113.7	R593 A594	C573-R593 HydrophobicContact CB-CB 3.68Å; C573-R593 HydrophobicContact CB-CG 4.28Å; C573-A594 PolarHBondContact N-O 2.94Å
574	C	91.1	Very high	88.8	Confident	17 Å²	17	83.3 Å²	83.3	12%	0.115	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-86.6	-60.7	-175.5	-59.4	0	0	0	0	112.3	C572 C599 E671	C572-C574 VanDerWaalsContact C-N 3.31Å; C572-C574 PolarHBondContact O-N 2.85Å; C574-C599 HydrophobicContact CB-CB 4.26Å; C574-E671 VanDerWaalsContact CA-OE1 3.26Å; C574-E671 WeakPolarHBondContact CA-OE1 3.49Å; C574-E671 WeakPolarHBondContact CB-OE1 3.27Å; C574-E671 PolarHBondContact SG-OE1 3.04Å
575	C	91.9	Very high	88.8	Confident	61 Å²	61	83 Å²	83	41%	0.412	41%	0.406	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-2.4	-174.7	69.2	0	0	0	0	114.7	C572 A577 C596	C572-C575 VanDerWaalsContact CB-SG 3.55Å; C575-A577 PolarHBondContact O-N 3.33Å; C575-C596 PolarHBondContact SG-SG 2.96Å
576	R	90.6	Very high	88.8	Confident	134 Å²	134	83.9 Å²	83.9	51%	0.506	41%	0.412	S	S	.	.			trans	59.3	8.2	-178.9	-53	-178.5	-178.6	97.7	5.8	115.8	I571 C572	I571-R576 HydrophobicContact CD1-CB 4.37Å; C572-R576 WeakPolarHBondContact O-CA 3.28Å; C572-R576 PolarHBondContact O-N 3.12Å
577	A	90.9	Very high	89	Confident	48 Å²	48	87.7 Å²	87.7	40%	0.397	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60.9	136.5	175.8	0	0	0	0	0	111.9	I571 C572 C575	I571-A577 CarbonylContact C-O 3.55Å; I571-A577 VanDerWaalsContact CA-O 3.22Å; I571-A577 WeakPolarHBondContact CA-O 3.48Å; C572-A577 PolarHBondContact N-O 3.03Å; C575-A577 PolarHBondContact O-N 3.33Å
578	K	91.1	Very high	89.3	Confident	158 Å²	158	80.4 Å²	80.4	69%	0.687	40%	0.404	S	S	*	.	B	Isolated β-bridge	trans	-72	133.8	177	-72.6	178.1	176.1	-176.7	0	110.6	I571	I571-K578 HydrophobicContact CG2-CB 4.11Å; I571-K578 HydrophobicContact CG2-CG 3.45Å; I571-K578 VanDerWaalsContact CG2-CG 3.45Å
579	F	91.3	Very high	89.5	Confident	35 Å²	35	74 Å²	74	15%	0.154	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-81.5	142.1	174.6	-61.1	-58	0	0	0	111.2	G569 K570 I571 C572 P585 A594 C596	G569-F579 WeakPolarHBondContact O-CD2 3.32Å; G569-F579 WeakPolarHBondContact O-CE2 3.33Å; K570-F579 WeakPolarHBondContact O-CD2 3.25Å; K570-F579 PolarHBondContact O-N 3.16Å; I571-F579 WeakPolarHBondContact O-CE2 3.45Å; C572-F579 VanDerWaalsContact CA-CZ 3.44Å; C572-F579 HydrophobicContact CB-CE1 4.12Å; C572-F579 HydrophobicContact CB-CZ 3.76Å; F579-P585 HydrophobicContact CD1-CB 3.93Å; F579-P585 HydrophobicContact CD1-CG 4.43Å; F579-P585 HydrophobicContact CD2-CB 4.04Å; F579-P585 HydrophobicContact CD2-CG 3.74Å; F579-P585 HydrophobicContact CE1-CB 3.63Å; F579-P585 HydrophobicContact CE1-CG 4.4Å; F579-P585 HydrophobicContact CE2-CB 3.76Å; F579-P585 HydrophobicContact CE2-CG 3.72Å; F579-P585 HydrophobicContact CG-CB 4.12Å; F579-P585 HydrophobicContact CG-CG 4.11Å; F579-P585 HydrophobicContact CZ-CB 3.53Å; F579-P585 HydrophobicContact CZ-CG 4.05Å; F579-A594 HydrophobicContact CE2-CB 3.61Å; F579-A594 HydrophobicContact CZ-CB 4.08Å; F579-C596 HydrophobicContact CE1-CB 3.92Å
580	P	88.3	Confident	89.7	Confident	95 Å²	95	73 Å²	73	62%	0.617	37%	0.366	S	S	*	.	P	Polyproline II helix	trans	-55.1	143.7	168.8	-26	33.8	0	0	0	112.5	F582 S583	P580-F582 PolarHBondContact O-N 3.08Å; P580-S583 WeakPolarHBondContact CD-OG 3.37Å; P580-S583 PolarHBondContact O-N 2.83Å; P580-S583 PolarHBondContact O-OG 3.47Å
581	L	76.4	Confident	89.8	Confident	166 Å²	166	67.2 Å²	67.2	87%	0.869	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-20.5	-173.1	-67.8	173	0	0	0	115.2
582	F	80.5	Confident	89.9	Confident	199 Å²	199	71.8 Å²	71.8	87%	0.873	36%	0.361	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.5	14.9	179.6	-60.2	-75.1	0	0	0	113.4	P580	P580-F582 PolarHBondContact O-N 3.08Å
583	S	77.8	Confident	89.9	Confident	47 Å²	47	73.9 Å²	73.9	33%	0.329	37%	0.369	S	S	.	.			trans	-97.5	140.9	178.3	67.1	0	0	0	0	112.1	P580 P585	P580-S583 WeakPolarHBondContact CD-OG 3.37Å; P580-S583 PolarHBondContact O-N 2.83Å; P580-S583 PolarHBondContact O-OG 3.47Å; S583-P585 VanDerWaalsContact O-CD 3.25Å; S583-P585 WeakPolarHBondContact O-CD 3.4Å
584	W	84.6	Confident	90	Very high	248 Å²	248	73.4 Å²	73.4	94%	0.939	37%	0.367	S	S	*	.			trans	-104.2	92.8	173	-68.5	80.6	0	0	0	108.4
585	P	89.4	Confident	90.2	Very high	35 Å²	35	72.6 Å²	72.6	23%	0.227	36%	0.361	C	S	.	.			trans	-66.1	142.5	-177	27.3	-35.8	0	0	0	111.3	F579 S583 A594 V595	F579-P585 HydrophobicContact CD1-CB 3.93Å; F579-P585 HydrophobicContact CD1-CG 4.43Å; F579-P585 HydrophobicContact CD2-CB 4.04Å; F579-P585 HydrophobicContact CD2-CG 3.74Å; F579-P585 HydrophobicContact CE1-CB 3.63Å; F579-P585 HydrophobicContact CE1-CG 4.4Å; F579-P585 HydrophobicContact CE2-CB 3.76Å; F579-P585 HydrophobicContact CE2-CG 3.72Å; F579-P585 HydrophobicContact CG-CB 4.12Å; F579-P585 HydrophobicContact CG-CG 4.11Å; F579-P585 HydrophobicContact CZ-CB 3.53Å; F579-P585 HydrophobicContact CZ-CG 4.05Å; S583-P585 VanDerWaalsContact O-CD 3.25Å; S583-P585 WeakPolarHBondContact O-CD 3.4Å; P585-A594 HydrophobicContact CB-CB 4.14Å; P585-A594 HydrophobicContact CG-CB 3.73Å; P585-V595 WeakPolarHBondContact CB-O 3.5Å
586	P	91.8	Very high	90.3	Very high	35 Å²	35	70.6 Å²	70.6	23%	0.227	35%	0.347	C	S	.	.			trans	-57.6	146.9	171.7	24.3	-34	0	0	0	111	V595 D667	P586-V595 VanDerWaalsContact CD-O 3.23Å; P586-V595 WeakPolarHBondContact CD-O 3.43Å; P586-V595 WeakPolarHBondContact CG-O 3.29Å; P586-V595 PolarHBondContact O-N 3.31Å; P586-D667 HydrophobicContact CB-CB 4.03Å
587	T	94.5	Very high	90.2	Very high	91 Å²	91	70 Å²	70	56%	0.558	36%	0.359	S	S	*	.	B	Isolated β-bridge	trans	-105.5	128.8	177.1	51.7	0	0	0	0	110.3	L589 R593	T587-L589 PolarHBondContact O-N 3.29Å; T587-R593 WeakPolarHBondContact CA-O 3.34Å
588	C	95.1	Very high	90.2	Very high	0 Å²	0	72.9 Å²	72.9	0%	0	38%	0.376	C	S	.	.			trans	-62.4	128.6	177.2	174.6	0	0	0	0	110.5	F590 C591 K592 R593 V595 D667 C669 C672	C588-F590 VanDerWaalsContact C-N 3.26Å; C588-F590 PolarHBondContact O-N 3.4Å; C588-C591 WeakPolarHBondContact CB-SG 3.33Å; C588-K592 VanDerWaalsContact O-CA 3.22Å; C588-K592 WeakPolarHBondContact O-CA 3.39Å; C588-K592 PolarHBondContact O-N 2.8Å; C588-R593 PolarHBondContact N-O 3.13Å; C588-V595 HydrophobicContact CB-CG2 3.81Å; C588-D667 CarbonylContact C-O 3.44Å; C588-D667 WeakPolarHBondContact CA-O 3.33Å; C588-C669 HydrophobicContact CB-CB 4.17Å; C588-C669 PolarHBondContact SG-N 3.2Å; C588-C672 VanDerWaalsContact SG-SG 3.62Å
589	L	94	Very high	90.3	Very high	15 Å²	15	66.1 Å²	66.1	8%	0.079	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.1	-42.3	180	-178	66.9	0	0	0	112.3	M542 T587 K592 M605 F610 K666 D667 V668	M542-L589 HydrophobicContact SD-CD1 4.39Å; M542-L589 HydrophobicContact SD-CG 4.1Å; T587-L589 PolarHBondContact O-N 3.29Å; L589-K592 WeakPolarHBondContact O-CD 3.46Å; L589-K592 VanDerWaalsContact O-CE 3.23Å; L589-K592 WeakPolarHBondContact O-CE 3.15Å; L589-K592 PolarHBondContact O-NZ 3.01Å; L589-M605 HydrophobicContact CD2-CE 3.98Å; L589-M605 HydrophobicContact CD2-CG 4.02Å; L589-M605 HydrophobicContact CD2-SD 3.94Å; L589-F610 HydrophobicContact CD1-CE2 4.04Å; L589-F610 HydrophobicContact CD1-CZ 3.94Å; L589-F610 HydrophobicContact CD2-CE2 4.44Å; L589-K666 HydrophobicContact CB-CB 4.34Å; L589-K666 HydrophobicContact CD1-CG 4.35Å; L589-K666 HydrophobicContact CD2-CB 3.93Å; L589-K666 HydrophobicContact CD2-CG 4.11Å; L589-K666 HydrophobicContact CG-CB 4.5Å; L589-D667 PolarHBondContact N-O 2.97Å; L589-V668 HydrophobicContact CB-CG2 4.31Å
590	F	94.1	Very high	90.3	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	-81.3	-67.1	-174.3	-67.5	-93.5	0	0	0	112.1	V538 V541 M542 R545 R546 C588 K592 M603 L618 V668 C672 V676	V538-F590 HydrophobicContact CG1-CE1 4.23Å; V538-F590 HydrophobicContact CG1-CZ 4.33Å; V541-F590 HydrophobicContact CB-CE1 4.39Å; V541-F590 HydrophobicContact CG1-CD1 4.08Å; V541-F590 HydrophobicContact CG1-CE1 3.9Å; M542-F590 HydrophobicContact CB-CD1 4.18Å; M542-F590 HydrophobicContact CG-CB 4.43Å; M542-F590 HydrophobicContact CG-CD1 3.43Å; M542-F590 VanDerWaalsContact CG-CD1 3.43Å; M542-F590 HydrophobicContact CG-CE1 3.76Å; M542-F590 HydrophobicContact CG-CG 4.03Å; R545-F590 HydrophobicContact CB-CB 4.34Å; R545-F590 HydrophobicContact CG-CB 4.34Å; R546-F590 WeakPolarHBondContact CG-O 3.27Å; C588-F590 VanDerWaalsContact C-N 3.26Å; C588-F590 PolarHBondContact O-N 3.4Å; F590-K592 VanDerWaalsContact C-N 3.31Å; F590-K592 PolarHBondContact O-N 2.87Å; F590-M603 HydrophobicContact CE2-SD 3.92Å; F590-M603 HydrophobicContact CZ-SD 4.25Å; F590-L618 HydrophobicContact CZ-CD1 3.99Å; F590-V668 HydrophobicContact CD2-CG1 3.88Å; F590-V668 HydrophobicContact CD2-CG2 3.99Å; F590-V668 HydrophobicContact CE2-CG1 4.3Å; F590-V668 HydrophobicContact CE2-CG2 3.92Å; F590-C672 HydrophobicContact CB-CB 4.22Å; F590-V676 HydrophobicContact CD1-CG2 3.68Å; F590-V676 HydrophobicContact CD2-CG2 3.96Å; F590-V676 HydrophobicContact CE1-CG1 4.41Å; F590-V676 HydrophobicContact CE1-CG2 3.52Å; F590-V676 HydrophobicContact CE2-CG1 4.43Å; F590-V676 HydrophobicContact CE2-CG2 3.81Å; F590-V676 HydrophobicContact CG-CG2 3.92Å; F590-V676 HydrophobicContact CZ-CB 4.42Å; F590-V676 HydrophobicContact CZ-CG1 3.95Å; F590-V676 HydrophobicContact CZ-CG2 3.59Å
591	C	94.1	Very high	90.5	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.014	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-5.8	-175	70.2	0	0	0	0	115.5	R545 V549 C588 R593	R545-C591 HydrophobicContact CG-CB 4.27Å; V549-C591 HydrophobicContact CB-CB 3.95Å; V549-C591 HydrophobicContact CG1-CB 4.06Å; V549-C591 HydrophobicContact CG2-CB 3.61Å; C588-C591 WeakPolarHBondContact CB-SG 3.33Å; C591-R593 HydrophobicContact CB-CG 4.29Å; C591-R593 WeakPolarHBondContact O-CG 3.4Å; C591-R593 PolarHBondContact O-N 2.74Å
592	K	94.2	Very high	91.1	Very high	101 Å²	101	60.6 Å²	60.6	44%	0.439	31%	0.313	S	S	.	.			trans	56	25.7	-177.8	-55.3	-55.5	-169.7	-163.3	0	114.9	R546 C588 L589 F590	R546-K592 HydrophobicContact CG-CG 4.31Å; C588-K592 VanDerWaalsContact O-CA 3.22Å; C588-K592 WeakPolarHBondContact O-CA 3.39Å; C588-K592 PolarHBondContact O-N 2.8Å; L589-K592 WeakPolarHBondContact O-CD 3.46Å; L589-K592 VanDerWaalsContact O-CE 3.23Å; L589-K592 WeakPolarHBondContact O-CE 3.15Å; L589-K592 PolarHBondContact O-NZ 3.01Å; F590-K592 VanDerWaalsContact C-N 3.31Å; F590-K592 PolarHBondContact O-N 2.87Å
593	R	94.1	Very high	91.4	Very high	44 Å²	44	51.1 Å²	51.1	17%	0.166	27%	0.272	C	S	.	.			trans	-100	156.3	177.1	-52.7	-47.6	-179.3	120.3	14.1	112.1	V549 M553 C573 T587 C588 C591 V595	V549-R593 HydrophobicContact CG1-CG 3.81Å; M553-R593 PolarHBondContact SD-NH1 3.18Å; M553-R593 PolarHBondContact SD-NH2 3.47Å; C573-R593 HydrophobicContact CB-CB 3.68Å; C573-R593 HydrophobicContact CB-CG 4.28Å; T587-R593 WeakPolarHBondContact CA-O 3.34Å; C588-R593 PolarHBondContact N-O 3.13Å; C591-R593 HydrophobicContact CB-CG 4.29Å; C591-R593 WeakPolarHBondContact O-CG 3.4Å; C591-R593 PolarHBondContact O-N 2.74Å; R593-V595 WeakPolarHBondContact O-CG2 3.37Å
594	A	94.9	Very high	91.9	Very high	11 Å²	11	50.6 Å²	50.6	9%	0.091	26%	0.263	C	S	.	.	B	Isolated β-bridge	trans	-73.3	137.1	175.3	0	0	0	0	0	111.2	C573 F579 P585	C573-A594 PolarHBondContact N-O 2.94Å; F579-A594 HydrophobicContact CE2-CB 3.61Å; F579-A594 HydrophobicContact CZ-CB 4.08Å; P585-A594 HydrophobicContact CB-CB 4.14Å; P585-A594 HydrophobicContact CG-CB 3.73Å
595	V	94.8	Very high	91.9	Very high	0 Å²	0	38.8 Å²	38.8	0%	0	22%	0.219	C	C	.	.			trans	-131	144.9	-172.9	-159.7	0	0	0	0	109.2	P585 P586 C588 R593 C599 C669	P585-V595 WeakPolarHBondContact CB-O 3.5Å; P586-V595 VanDerWaalsContact CD-O 3.23Å; P586-V595 WeakPolarHBondContact CD-O 3.43Å; P586-V595 WeakPolarHBondContact CG-O 3.29Å; P586-V595 PolarHBondContact O-N 3.31Å; C588-V595 HydrophobicContact CB-CG2 3.81Å; R593-V595 WeakPolarHBondContact O-CG2 3.37Å; V595-C599 VanDerWaalsContact CG1-C 3.46Å; V595-C599 HydrophobicContact CG1-CB 3.53Å; V595-C599 WeakPolarHBondContact CG1-O 3.35Å; V595-C669 HydrophobicContact CB-CB 4.48Å; V595-C669 HydrophobicContact CG1-CB 3.77Å; V595-C669 HydrophobicContact CG2-CB 3.76Å
596	C	93.4	Very high	91.6	Very high	18 Å²	18	37.5 Å²	37.5	12%	0.122	21%	0.21	C	C	.	.			trans	-77.3	158.5	167.7	61.1	0	0	0	0	110.8	C572 C575 F579 S598 C599 S600	C572-C596 HydrophobicContact CB-CB 4.23Å; C572-C596 PolarHBondContact SG-N 3.02Å; C575-C596 PolarHBondContact SG-SG 2.96Å; F579-C596 HydrophobicContact CE1-CB 3.92Å; C596-S598 PolarHBondContact O-N 3.48Å; C596-S598 PolarHBondContact SG-OG 3.08Å; C596-C599 CarbonylContact O-C 3.59Å; C596-C599 PolarHBondContact O-N 3.46Å; C596-S600 PolarHBondContact O-N 3.08Å
597	T	89.9	Confident	91.1	Very high	123 Å²	123	38.2 Å²	38.2	76%	0.755	22%	0.216	S	C	*	.	G	3₁₀ helix	trans	-55.4	-37.4	179.7	48.7	0	0	0	0	112.7	C599 S600	T597-C599 VanDerWaalsContact C-N 3.32Å; T597-C599 PolarHBondContact O-N 3.14Å; T597-S600 PolarHBondContact O-N 3.2Å
598	S	90.4	Very high	90.2	Very high	107 Å²	107	39.6 Å²	39.6	75%	0.748	21%	0.214	S	C	*	.	G	3₁₀ helix	trans	-72	-16.4	176.4	53.7	0	0	0	0	115.4	C596	C596-S598 PolarHBondContact O-N 3.48Å; C596-S598 PolarHBondContact SG-OG 3.08Å
599	C	92.9	Very high	89.1	Confident	17 Å²	17	48.6 Å²	48.6	12%	0.115	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-106.3	1.1	173.3	-67	0	0	0	0	112.4	C574 V595 C596 T597 C669 S670	C574-C599 HydrophobicContact CB-CB 4.26Å; V595-C599 VanDerWaalsContact CG1-C 3.46Å; V595-C599 HydrophobicContact CG1-CB 3.53Å; V595-C599 WeakPolarHBondContact CG1-O 3.35Å; C596-C599 CarbonylContact O-C 3.59Å; C596-C599 PolarHBondContact O-N 3.46Å; T597-C599 VanDerWaalsContact C-N 3.32Å; T597-C599 PolarHBondContact O-N 3.14Å; C599-C669 CarbonylContact O-C 3.53Å; C599-C669 VanDerWaalsContact O-CA 3.25Å; C599-C669 WeakPolarHBondContact O-CA 3.43Å; C599-S670 PolarHBondContact O-N 2.87Å
600	S	91.7	Very high	88.4	Confident	22 Å²	22	50.3 Å²	50.3	15%	0.154	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	125.2	179.1	-160.9	0	0	0	0	110.7	C596 T597 D667	C596-S600 PolarHBondContact O-N 3.08Å; T597-S600 PolarHBondContact O-N 3.2Å; S600-D667 VanDerWaalsContact OG-CB 3.29Å; S600-D667 WeakPolarHBondContact OG-CB 3.38Å; S600-D667 PolarHBondContact OG-OD1 3.12Å
601	I	91.4	Very high	87.7	Confident	69 Å²	69	50.9 Å²	50.9	35%	0.354	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	138.7	178.5	-62.1	176.8	0	0	0	107.7	V668 T673	I601-V668 PolarHBondContact N-O 2.93Å; I601-V668 PolarHBondContact O-N 3.14Å; I601-T673 HydrophobicContact CB-CG2 4.45Å; I601-T673 HydrophobicContact CD1-CG2 3.77Å; I601-T673 HydrophobicContact CG2-CG2 4.15Å
602	K	88.9	Confident	87.1	Confident	89 Å²	89	57.4 Å²	57.4	39%	0.387	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	130.9	176.8	-63.8	-55.4	-166.2	-169.8	0	110.5	L665 K666 D667	K602-L665 HydrophobicContact CB-CB 4.34Å; K602-L665 HydrophobicContact CB-CD1 4.36Å; K602-L665 HydrophobicContact CB-CD2 4.34Å; K602-L665 HydrophobicContact CD-CB 4.36Å; K602-L665 HydrophobicContact CG-CD1 4.48Å; K602-K666 WeakPolarHBondContact CA-O 3.37Å; K602-D667 IonicContact NZ-OD1 3.97Å; K602-D667 PolarHBondContact NZ-OD1 3.46Å; K602-D667 IonicContact NZ-OD2 3.35Å; K602-D667 PolarHBondContact NZ-OD2 2.81Å
603	M	88	Confident	86.6	Confident	0 Å²	0	53.7 Å²	53.7	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	138.1	177.4	-164.6	-179.2	-163	0	0	110.5	F590 M605 L618 G619 F620 L665 K666 V668 V676	F590-M603 HydrophobicContact CE2-SD 3.92Å; F590-M603 HydrophobicContact CZ-SD 4.25Å; M603-M605 HydrophobicContact CG-SD 4.34Å; M603-M605 PolarHBondContact O-N 2.95Å; M603-M605 HydrophobicContact SD-SD 4.17Å; M603-L618 HydrophobicContact CE-CB 3.52Å; M603-L618 HydrophobicContact CE-CD1 3.74Å; M603-L618 HydrophobicContact CE-CG 4.29Å; M603-L618 HydrophobicContact SD-CD1 4.16Å; M603-G619 VanDerWaalsContact CG-O 3.23Å; M603-G619 WeakPolarHBondContact CG-O 3.5Å; M603-F620 HydrophobicContact CE-CD1 4.14Å; M603-F620 HydrophobicContact CE-CD2 4.35Å; M603-F620 HydrophobicContact CE-CE1 3.67Å; M603-F620 HydrophobicContact CE-CE2 3.9Å; M603-F620 HydrophobicContact CE-CG 4.47Å; M603-F620 HydrophobicContact CE-CZ 3.56Å; M603-F620 HydrophobicContact CG-CD1 4.06Å; M603-F620 HydrophobicContact CG-CE1 4.15Å; M603-F620 HydrophobicContact SD-CD1 4.46Å; M603-F620 HydrophobicContact SD-CE1 3.96Å; M603-F620 HydrophobicContact SD-CZ 4.35Å; M603-L665 WeakPolarHBondContact O-CA 3.48Å; M603-K666 PolarHBondContact N-O 3.37Å; M603-K666 PolarHBondContact O-N 3.28Å; M603-V668 HydrophobicContact CB-CG2 3.73Å; M603-V668 HydrophobicContact SD-CG2 4.14Å; M603-V676 HydrophobicContact CE-CG1 3.59Å; M603-V676 HydrophobicContact SD-CG1 4.22Å
604	K	86.9	Confident	86.2	Confident	36 Å²	36	53 Å²	53	16%	0.157	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.9	110.8	-179.7	-76.5	-176.7	164.9	-161.2	0	111	G619 V651 E652 Y659 L665	K604-G619 PolarHBondContact N-O 3.12Å; K604-V651 HydrophobicContact CB-CG2 4.31Å; K604-V651 HydrophobicContact CD-CG2 4.43Å; K604-E652 WeakPolarHBondContact CD-OE1 3.4Å; K604-E652 VanDerWaalsContact CE-OE1 3.32Å; K604-E652 WeakPolarHBondContact CE-OE1 3.19Å; K604-E652 IonicContact NZ-OE1 2.71Å; K604-E652 PolarHBondContact NZ-OE1 3.28Å; K604-E652 IonicContact NZ-OE2 3.51Å; K604-E652 PolarHBondContact NZ-OE2 3.48Å; K604-Y659 PolarHBondContact O-OH 3.46Å; K604-L665 HydrophobicContact CG-CD2 3.73Å
605	M	85.2	Confident	85.9	Confident	0 Å²	0	52.4 Å²	52.4	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.3	152.5	177.6	-55.7	-59.5	-60.5	0	0	110.8	V538 L589 M603 F610 L618 C663 V664 K666	V538-M605 HydrophobicContact CG1-CE 3.8Å; V538-M605 HydrophobicContact CG2-CE 4.3Å; L589-M605 HydrophobicContact CD2-CE 3.98Å; L589-M605 HydrophobicContact CD2-CG 4.02Å; L589-M605 HydrophobicContact CD2-SD 3.94Å; M603-M605 HydrophobicContact CG-SD 4.34Å; M603-M605 PolarHBondContact O-N 2.95Å; M603-M605 HydrophobicContact SD-SD 4.17Å; M605-F610 HydrophobicContact CE-CB 4.21Å; M605-F610 HydrophobicContact CE-CD2 3.82Å; M605-F610 HydrophobicContact CE-CG 4.1Å; M605-L618 HydrophobicContact CE-CD1 4.02Å; M605-L618 HydrophobicContact CE-CD2 3.46Å; M605-L618 VanDerWaalsContact CE-CD2 3.46Å; M605-L618 HydrophobicContact CE-CG 4.4Å; M605-L618 HydrophobicContact SD-CD1 4.03Å; M605-L618 HydrophobicContact SD-CD2 3.67Å; M605-L618 HydrophobicContact SD-CG 4.44Å; M605-C663 CarbonylContact O-C 3.29Å; M605-C663 WeakPolarHBondContact O-CA 3.19Å; M605-V664 HydrophobicContact CB-CG2 4.18Å; M605-V664 PolarHBondContact N-O 2.96Å; M605-V664 PolarHBondContact O-N 3.03Å; M605-K666 HydrophobicContact CB-CG 4.16Å; M605-K666 HydrophobicContact CG-CB 3.95Å; M605-K666 HydrophobicContact CG-CG 3.57Å
606	P	83.6	Confident	85.4	Confident	7 Å²	7	55 Å²	55	5%	0.045	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.4	149.2	168.5	-26.3	38	0	0	0	112.5	I613 I658 Y659	P606-I613 VanDerWaalsContact CD-CD1 3.46Å; P606-I613 HydrophobicContact CG-CD1 3.51Å; P606-I658 HydrophobicContact CG-CG2 3.71Å; P606-Y659 HydrophobicContact CG-CD1 4.14Å; P606-Y659 HydrophobicContact CG-CE1 3.85Å; P606-Y659 HydrophobicContact CG-CE2 4.27Å
607	S	80.1	Confident	85	Confident	51 Å²	51	54.1 Å²	54.1	36%	0.357	28%	0.282	S	S	.	.	S	Bend	trans	-71.6	-30.7	-176.5	65.4	0	0	0	0	114.7	H661 G662	S607-H661 WeakPolarHBondContact CB-O 3.46Å; S607-H661 VanDerWaalsContact OG-C 3.32Å; S607-H661 WeakPolarHBondContact OG-CB 3.26Å; S607-H661 PolarHBondContact OG-O 3.43Å; S607-G662 WeakPolarHBondContact CB-O 3.45Å; S607-G662 PolarHBondContact N-O 3Å; S607-G662 PolarHBondContact OG-O 3.35Å
608	K	75.9	Confident	84.7	Confident	120 Å²	120	48.3 Å²	48.3	52%	0.522	25%	0.246	S	C	.	.	S	Bend	trans	-90.9	-179.2	176.4	-64.3	-168	-174.4	169	0	111.2	F610 H661	K608-F610 PolarHBondContact O-N 3.46Å; K608-H661 HydrophobicContact CD-CB 4.2Å; K608-H661 VanDerWaalsContact CD-CD2 3.43Å; K608-H661 WeakPolarHBondContact CD-CD2 3.49Å; K608-H661 WeakPolarHBondContact CE-CD2 3.47Å; K608-H661 VanDerWaalsContact CE-CG 3.4Å; K608-H661 HydrophobicContact CG-CB 4.16Å; K608-H661 PolarHBondContact NZ-CD2 3.23Å; K608-H661 PolarHBondContact NZ-CE1 2.88Å; K608-H661 PolarHBondContact NZ-ND1 3.2Å; K608-H661 PolarHBondContact NZ-NE2 2.57Å
609	K	73.3	Confident	84.1	Confident	189 Å²	189	43.5 Å²	43.5	82%	0.822	21%	0.213	S	C	*	.			trans	-44.8	101.6	-176.7	-71.8	-172.8	177.2	-174.6	0	111.9
610	F	78.9	Confident	83	Confident	50 Å²	50	45.8 Å²	45.8	22%	0.219	22%	0.221	C	C	.	.			trans	-93.6	1.9	-175.5	58.1	-97.2	0	0	0	113.3	V538 M542 L589 M605 K608 I613	V538-F610 WeakPolarHBondContact CB-O 3.4Å; V538-F610 HydrophobicContact CG1-CD2 4.14Å; M542-F610 HydrophobicContact SD-CE2 4.07Å; L589-F610 HydrophobicContact CD1-CE2 4.04Å; L589-F610 HydrophobicContact CD1-CZ 3.94Å; L589-F610 HydrophobicContact CD2-CE2 4.44Å; M605-F610 HydrophobicContact CE-CB 4.21Å; M605-F610 HydrophobicContact CE-CD2 3.82Å; M605-F610 HydrophobicContact CE-CG 4.1Å; K608-F610 PolarHBondContact O-N 3.46Å; F610-I613 HydrophobicContact CB-CD1 3.96Å; F610-I613 WeakPolarHBondContact O-CG1 3.38Å
611	G	79.3	Confident	81.6	Confident	12 Å²	12	49.5 Å²	49.5	12%	0.124	24%	0.236	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.2	-53.3	-177.7	0	0	0	0	0	112.4	T537 V538 E539 I613	T537-G611 WeakPolarHBondContact CB-O 3.48Å; V538-G611 PolarHBondContact N-O 3.23Å; E539-G611 WeakPolarHBondContact CB-O 3.49Å; E539-G611 PolarHBondContact N-O 2.96Å; G611-I613 VanDerWaalsContact C-N 3.34Å; G611-I613 PolarHBondContact O-N 2.76Å
612	H	80.6	Confident	79.6	Confident	139 Å²	139	50.2 Å²	50.2	64%	0.644	25%	0.247	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.1	3.2	-175.8	-48.5	-60.5	0	0	0	115.4
613	I	84.6	Confident	77.3	Confident	23 Å²	23	52 Å²	52	12%	0.118	27%	0.269	C	S	.	.	S	Bend	trans	-77	145.3	176.8	76.5	-170	0	0	0	109.1	T537 V538 P606 F610 G611 L618 I658	T537-I613 VanDerWaalsContact CA-O 3.29Å; T537-I613 WeakPolarHBondContact CA-O 3.3Å; V538-I613 HydrophobicContact CB-CG1 4.48Å; V538-I613 HydrophobicContact CG2-CD1 3.99Å; V538-I613 HydrophobicContact CG2-CG1 3.46Å; V538-I613 VanDerWaalsContact CG2-CG1 3.46Å; V538-I613 PolarHBondContact N-O 3.34Å; P606-I613 VanDerWaalsContact CD-CD1 3.46Å; P606-I613 HydrophobicContact CG-CD1 3.51Å; F610-I613 HydrophobicContact CB-CD1 3.96Å; F610-I613 WeakPolarHBondContact O-CG1 3.38Å; G611-I613 VanDerWaalsContact C-N 3.34Å; G611-I613 PolarHBondContact O-N 2.76Å; I613-L618 HydrophobicContact CD1-CD2 3.86Å; I613-I658 HydrophobicContact CD1-CG2 4.48Å; I613-I658 HydrophobicContact CG2-CG2 4.22Å
614	P	86.3	Confident	74.8	Confident	29 Å²	29	59.8 Å²	59.8	19%	0.188	31%	0.305	C	S	.	.	B	Isolated β-bridge	trans	-64.6	137.6	175.8	-21.3	32.9	0	0	0	111.7	A535 Y616 T617	A535-P614 HydrophobicContact CB-CB 4.45Å; P614-Y616 HydrophobicContact CB-CD1 3.51Å; P614-Y616 HydrophobicContact CB-CE1 3.18Å; P614-Y616 HydrophobicContact CB-CE2 4.24Å; P614-Y616 HydrophobicContact CB-CG 4.17Å; P614-Y616 HydrophobicContact CG-CE1 3.84Å; P614-Y616 PolarHBondContact O-N 3.33Å; P614-T617 HydrophobicContact CB-CG2 4.19Å; P614-T617 HydrophobicContact CG-CG2 4.43Å; P614-T617 WeakPolarHBondContact O-CB 3.3Å; P614-T617 WeakPolarHBondContact O-CG2 3.44Å; P614-T617 PolarHBondContact O-N 3.04Å; P614-T617 PolarHBondContact O-OG1 3.01Å
615	V	87.4	Confident	72.6	Confident	0 Å²	0	69.8 Å²	69.8	0%	0	34%	0.341	C	S	.	.	G	3₁₀ helix	trans	-60.3	-32.4	-176.8	71	0	0	0	0	112.4	L536 V541 T617 L618 V679 V680	L536-V615 HydrophobicContact CB-CG1 4.18Å; L536-V615 VanDerWaalsContact O-CB 3.27Å; L536-V615 WeakPolarHBondContact O-CB 3.4Å; L536-V615 VanDerWaalsContact O-CG1 3.22Å; L536-V615 WeakPolarHBondContact O-CG1 3.31Å; L536-V615 PolarHBondContact O-N 3.36Å; V541-V615 HydrophobicContact CB-CG2 4.46Å; V541-V615 HydrophobicContact CG1-CG2 4.44Å; V541-V615 HydrophobicContact CG2-CB 4.08Å; V541-V615 HydrophobicContact CG2-CG1 4.28Å; V541-V615 HydrophobicContact CG2-CG2 4Å; V615-T617 PolarHBondContact O-N 3.13Å; V615-L618 HydrophobicContact CG2-CD1 4.16Å; V615-L618 WeakPolarHBondContact O-CB 3.43Å; V615-L618 WeakPolarHBondContact O-CG 3.44Å; V615-L618 PolarHBondContact O-N 3.27Å; V615-V679 HydrophobicContact CG1-CG1 3.74Å; V615-V679 HydrophobicContact CG2-CG1 4.13Å; V615-V680 HydrophobicContact CG2-CG2 4Å; V615-V680 WeakPolarHBondContact O-CG2 3.07Å
616	Y	84.6	Confident	70	Confident	53 Å²	53	74.6 Å²	74.6	21%	0.208	38%	0.382	C	S	.	.	G	3₁₀ helix	trans	-58.4	-16.8	176.9	66.9	-109.1	0	0	0	113.8	A535 P614 L618 F655 R684 V687	A535-Y616 HydrophobicContact CB-CE1 4.04Å; P614-Y616 HydrophobicContact CB-CD1 3.51Å; P614-Y616 HydrophobicContact CB-CE1 3.18Å; P614-Y616 HydrophobicContact CB-CE2 4.24Å; P614-Y616 HydrophobicContact CB-CG 4.17Å; P614-Y616 HydrophobicContact CG-CE1 3.84Å; P614-Y616 PolarHBondContact O-N 3.33Å; Y616-L618 VanDerWaalsContact C-N 3.32Å; Y616-F655 HydrophobicContact CD2-CE1 4.16Å; Y616-F655 HydrophobicContact CD2-CZ 4.07Å; Y616-F655 AromaticContact CE2-CE1 3.98Å; Y616-F655 HydrophobicContact CE2-CE1 3.98Å; Y616-F655 HydrophobicContact CE2-CZ 4.37Å; Y616-R684 VanDerWaalsContact O-CZ 3.23Å; Y616-R684 PolarHBondContact O-NE 3.25Å; Y616-R684 PolarHBondContact O-NH2 3.48Å; Y616-V687 HydrophobicContact CD1-CG2 3.85Å; Y616-V687 HydrophobicContact CE1-CG2 3.8Å; Y616-V687 HydrophobicContact CG-CG2 4.44Å
617	T	85.1	Confident	67.7	Low	0 Å²	0	79.9 Å²	79.9	0%	0	42%	0.419	C	S	.	.	G	3₁₀ helix	trans	-80.7	-13.1	179.3	68.3	0	0	0	0	113.1	P614 V615 F655 I658 Y659	P614-T617 HydrophobicContact CB-CG2 4.19Å; P614-T617 HydrophobicContact CG-CG2 4.43Å; P614-T617 WeakPolarHBondContact O-CB 3.3Å; P614-T617 WeakPolarHBondContact O-CG2 3.44Å; P614-T617 PolarHBondContact O-N 3.04Å; P614-T617 PolarHBondContact O-OG1 3.01Å; V615-T617 PolarHBondContact O-N 3.13Å; T617-F655 HydrophobicContact CG2-CD1 4.13Å; T617-F655 HydrophobicContact CG2-CE1 4.25Å; T617-F655 HydrophobicContact CG2-CG 4.3Å; T617-I658 HydrophobicContact CG2-CD1 3.4Å; T617-I658 VanDerWaalsContact CG2-CD1 3.4Å; T617-Y659 PolarHBondContact O-OH 3.43Å
618	L	84.6	Confident	65.9	Low	1 Å²	1	82.6 Å²	82.6	1%	0.005	44%	0.444	C	S	.	.			trans	-74.8	149.1	-174.8	-61.7	-168.3	0	0	0	114	V538 F590 M603 M605 I613 V615 Y616 V676 V680 R684	V538-L618 HydrophobicContact CG1-CD1 4.33Å; V538-L618 HydrophobicContact CG2-CD1 3.81Å; V538-L618 HydrophobicContact CG2-CD2 3.85Å; V538-L618 HydrophobicContact CG2-CG 3.95Å; F590-L618 HydrophobicContact CZ-CD1 3.99Å; M603-L618 HydrophobicContact CE-CB 3.52Å; M603-L618 HydrophobicContact CE-CD1 3.74Å; M603-L618 HydrophobicContact CE-CG 4.29Å; M603-L618 HydrophobicContact SD-CD1 4.16Å; M605-L618 HydrophobicContact CE-CD1 4.02Å; M605-L618 HydrophobicContact CE-CD2 3.46Å; M605-L618 VanDerWaalsContact CE-CD2 3.46Å; M605-L618 HydrophobicContact CE-CG 4.4Å; M605-L618 HydrophobicContact SD-CD1 4.03Å; M605-L618 HydrophobicContact SD-CD2 3.67Å; M605-L618 HydrophobicContact SD-CG 4.44Å; I613-L618 HydrophobicContact CD1-CD2 3.86Å; V615-L618 HydrophobicContact CG2-CD1 4.16Å; V615-L618 WeakPolarHBondContact O-CB 3.43Å; V615-L618 WeakPolarHBondContact O-CG 3.44Å; V615-L618 PolarHBondContact O-N 3.27Å; Y616-L618 VanDerWaalsContact C-N 3.32Å; L618-V676 HydrophobicContact CD1-CG1 4.38Å; L618-V680 HydrophobicContact CB-CG2 4.31Å; L618-R684 PolarHBondContact O-NH2 3.09Å
619	G	76.9	Confident	63.9	Low	6 Å²	6	81.7 Å²	81.7	6%	0.062	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	137.5	179.5	0	0	0	0	0	113.1	M603 K604 V651	M603-G619 VanDerWaalsContact CG-O 3.23Å; M603-G619 WeakPolarHBondContact CG-O 3.5Å; K604-G619 PolarHBondContact N-O 3.12Å; G619-V651 VanDerWaalsContact CA-CG1 3.46Å
620	F	70.2	Confident	62.3	Low	65 Å²	65	82.4 Å²	82.4	29%	0.285	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	146.5	160.2	-60.7	-79.1	0	0	0	109	M603 S622 T673 V676 A677	M603-F620 HydrophobicContact CE-CD1 4.14Å; M603-F620 HydrophobicContact CE-CD2 4.35Å; M603-F620 HydrophobicContact CE-CE1 3.67Å; M603-F620 HydrophobicContact CE-CE2 3.9Å; M603-F620 HydrophobicContact CE-CG 4.47Å; M603-F620 HydrophobicContact CE-CZ 3.56Å; M603-F620 HydrophobicContact CG-CD1 4.06Å; M603-F620 HydrophobicContact CG-CE1 4.15Å; M603-F620 HydrophobicContact SD-CD1 4.46Å; M603-F620 HydrophobicContact SD-CE1 3.96Å; M603-F620 HydrophobicContact SD-CZ 4.35Å; F620-S622 PolarHBondContact O-N 2.83Å; F620-T673 HydrophobicContact CD1-CG2 3.78Å; F620-T673 HydrophobicContact CE1-CG2 3.39Å; F620-T673 HydrophobicContact CZ-CG2 4.06Å; F620-T673 WeakPolarHBondContact CZ-O 3.41Å; F620-V676 HydrophobicContact CZ-CB 4.17Å; F620-V676 HydrophobicContact CZ-CG1 4.05Å; F620-A677 HydrophobicContact CD2-CB 4.47Å; F620-A677 HydrophobicContact CE2-CB 3.58Å; F620-A677 HydrophobicContact CZ-CB 3.94Å
621	E	61.9	Low	60.2	Low	100 Å²	100	86.8 Å²	86.8	47%	0.467	49%	0.493	S	S	.	.			trans	-68.9	112.7	169.1	-170.4	157.2	-131.5	0	0	108.3	P623	E621-P623 WeakPolarHBondContact O-CD 3.32Å
622	S	49.4	Very low	58.1	Low	84 Å²	84	92.8 Å²	92.8	59%	0.587	53%	0.527	S	S	*	.			trans	-63.4	127	169.1	-175	0	0	0	0	107.5	F620 Q624	F620-S622 PolarHBondContact O-N 2.83Å; S622-Q624 PolarHBondContact O-N 2.76Å
623	P	40.6	Very low	55.8	Low	128 Å²	128	92.1 Å²	92.1	83%	0.831	54%	0.536	S	S	*	.			trans	-72.6	75	179.7	29.3	-34.5	0	0	0	110.5	E621 R625	E621-P623 WeakPolarHBondContact O-CD 3.32Å; P623-R625 PolarHBondContact O-N 3.06Å
624	Q	36.2	Very low	53.6	Low	162 Å²	162	98 Å²	98	76%	0.757	57%	0.573	S	S	*	*			trans	-78	102.5	175	-72.2	-164.1	-0.9	0	0	110.4	S622 A626	S622-Q624 PolarHBondContact O-N 2.76Å; Q624-A626 PolarHBondContact O-N 3.04Å
625	R	40.5	Very low	50.9	Low	246 Å²	246	105.6 Å²	105.6	93%	0.928	61%	0.605	S	S	*	*			trans	42.2	72.5	153.6	-61.5	-179.1	-175.4	151.4	2.1	116.4	P623	P623-R625 PolarHBondContact O-N 3.06Å
626	A	31.1	Very low	48.1	Very low	102 Å²	102	116.3 Å²	116.3	84%	0.843	65%	0.646	S	S	*	*	P	Polyproline II helix	trans	-75.6	145.9	144	0	0	0	0	0	109.4	Q624	Q624-A626 PolarHBondContact O-N 3.04Å
627	S	34.8	Very low	45.5	Very low	118 Å²	118	125.1 Å²	125.1	83%	0.825	68%	0.679	S	S	*	*	P	Polyproline II helix	trans	-67.4	160	-167.3	53.1	0	0	0	0	115.4	A629	S627-A629 PolarHBondContact O-N 3.05Å
628	A	41.4	Very low	42.7	Very low	107 Å²	107	131.1 Å²	131.1	88%	0.884	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-51.6	127.2	-179	0	0	0	0	0	115.4
629	A	34	Very low	40.1	Very low	102 Å²	102	137.3 Å²	137.3	84%	0.843	75%	0.749	S	S	*	*			trans	-151.1	142.1	149.1	0	0	0	0	0	109.1	S627	S627-A629 PolarHBondContact O-N 3.05Å
630	K	40.7	Very low	37.8	Very low	203 Å²	203	146.3 Å²	146.3	88%	0.883	79%	0.786	S	S	*	*			trans	-84.3	130.5	-175.2	-61.6	169.4	179.9	173.6	0	111.1
631	T	33.4	Very low	35.7	Very low	143 Å²	143	151.9 Å²	151.9	88%	0.877	81%	0.813	S	S	*	*			trans	-170.9	133.7	136.8	23.9	0	0	0	0	110.4
632	T	35.3	Very low	33.9	Very low	137 Å²	137	152.1 Å²	152.1	84%	0.84	83%	0.826	S	S	*	*			trans	-77.6	152	166.8	33.8	0	0	0	0	110.5
633	P	32.7	Very low	32.9	Very low	126 Å²	126	155.9 Å²	155.9	82%	0.818	84%	0.839	S	S	*	*				-137	172	104.9	35.5	-22.7	0	0	0	114.6
634	V	37.5	Very low	32.5	Very low	147 Å²	147	159.1 Å²	159.1	89%	0.891	84%	0.843	S	S	*	*			trans	-67.9	133.6	-170.4	175.7	0	0	0	0	113.1
635	Q	30.5	Very low	32.2	Very low	188 Å²	188	153.6 Å²	153.6	88%	0.879	83%	0.83	S	S	*	*			trans	-143.1	145.7	155.2	-136.1	174.4	10.5	0	0	111.7	R637	Q635-R637 PolarHBondContact O-N 3.21Å
636	R	28.4	Very low	31.9	Very low	224 Å²	224	147.7 Å²	147.7	85%	0.845	82%	0.823	S	S	*	*			trans	-52.3	127.1	-176.3	-110.6	175.2	174.5	141.7	-5.1	111.4	D638	R636-D638 PolarHBondContact O-N 3.13Å
637	R	29.4	Very low	32.4	Very low	238 Å²	238	151.6 Å²	151.6	90%	0.898	82%	0.824	S	S	*	*			trans	-82.2	103	159.2	-86.1	-178.8	169.4	161.4	-3.8	108	Q635	Q635-R637 PolarHBondContact O-N 3.21Å
638	D	26.5	Very low	33.2	Very low	126 Å²	126	154.6 Å²	154.6	67%	0.674	82%	0.817	S	S	*	*			trans	-84.1	130.8	160.4	-70.1	-43	0	0	0	109.1	R636 F640	R636-D638 PolarHBondContact O-N 3.13Å; D638-F640 PolarHBondContact O-N 3Å
639	T	30.6	Very low	33.9	Very low	131 Å²	131	156.1 Å²	156.1	80%	0.804	81%	0.806	S	S	*	*			trans	-83.2	77.5	-163	-47.6	0	0	0	0	111.9
640	F	28.1	Very low	35.7	Very low	195 Å²	195	153 Å²	153	86%	0.855	78%	0.778	S	S	*	*			trans	-106	103.5	161.4	-79.5	-84.7	0	0	0	109.9	D638 S642	D638-F640 PolarHBondContact O-N 3Å; F640-S642 PolarHBondContact O-N 3.02Å
641	Q	26.4	Very low	37.5	Very low	182 Å²	182	143.9 Å²	143.9	85%	0.85	74%	0.739	S	S	*	*			trans	-63.3	103.8	163.9	-77.9	-178.4	-10.9	0	0	108	L643	Q641-L643 PolarHBondContact O-N 3.42Å
642	S	25	Very low	39.6	Very low	106 Å²	106	139.8 Å²	139.8	74%	0.741	71%	0.71	S	S	*	*			trans	-62.7	110.6	170.7	-176.3	0	0	0	0	108.4	F640 Q644	F640-S642 PolarHBondContact O-N 3.02Å; S642-Q644 PolarHBondContact O-N 2.99Å; S642-Q644 VanDerWaalsContact O-N 3.11Å
643	L	27.7	Very low	41.7	Very low	163 Å²	163	139.5 Å²	139.5	85%	0.853	70%	0.699	S	S	*	*			trans	-49.9	120.3	163.4	-71.3	166.4	0	0	0	107.9	Q641 G645	Q641-L643 PolarHBondContact O-N 3.42Å; L643-G645 VanDerWaalsContact C-N 3.29Å; L643-G645 PolarHBondContact O-N 3.36Å
644	Q	33.1	Very low	43.7	Very low	196 Å²	196	135.7 Å²	135.7	92%	0.916	68%	0.679	S	S	*	*			trans	-72.7	86.8	178	-75.6	177.9	-31.2	0	0	109	S642	S642-Q644 PolarHBondContact O-N 2.99Å; S642-Q644 VanDerWaalsContact O-N 3.11Å
645	G	28.9	Very low	45.8	Very low	46 Å²	46	131 Å²	131	47%	0.474	65%	0.646	S	S	.	*			trans	-65.6	157.5	156.3	0	0	0	0	0	110.3	L643	L643-G645 VanDerWaalsContact C-N 3.29Å; L643-G645 PolarHBondContact O-N 3.36Å
646	P	35.5	Very low	48.1	Very low	121 Å²	121	125.2 Å²	125.2	79%	0.786	63%	0.625	S	S	*	*	S	Bend	trans	-56.8	145.5	-176.1	23.5	-33.7	0	0	0	111.9	W648	P646-W648 PolarHBondContact O-N 2.96Å
647	Q	40.9	Very low	50.5	Low	184 Å²	184	122.9 Å²	122.9	86%	0.86	62%	0.623	S	S	*	*			trans	-47.4	108.6	-177.5	-179.8	175.4	-11.7	0	0	111.5	Q649	Q647-Q649 PolarHBondContact O-N 3.22Å; Q647-Q649 VanDerWaalsContact O-N 3.08Å
648	W	50.3	Low	52.9	Low	181 Å²	181	114.2 Å²	114.2	69%	0.686	59%	0.594	S	S	*	*			trans	-55.5	114.7	-177.5	-61.9	97.2	0	0	0	111	P646	P646-W648 PolarHBondContact O-N 2.96Å
649	Q	56.3	Low	55.7	Low	140 Å²	140	108.8 Å²	108.8	65%	0.654	56%	0.564	S	S	*	*			trans	-61.7	158.8	165.6	-69.7	173.1	-12.1	0	0	109.8	Q647	Q647-Q649 PolarHBondContact O-N 3.22Å; Q647-Q649 VanDerWaalsContact O-N 3.08Å
650	S	72.3	Confident	58.1	Low	36 Å²	36	105.8 Å²	105.8	25%	0.252	55%	0.552	S	S	.	*			trans	-65.4	146.6	177.8	-160.5	0	0	0	0	110.1	E652 E653 A654	S650-E652 PolarHBondContact O-N 3.15Å; S650-E652 PolarHBondContact OG-OE2 3.4Å; S650-E653 PolarHBondContact N-OE2 3.04Å; S650-E653 WeakPolarHBondContact O-CA 3.48Å; S650-E653 WeakPolarHBondContact O-CB 3.26Å; S650-E653 PolarHBondContact O-N 3.49Å; S650-A654 PolarHBondContact O-N 2.93Å
651	V	77.9	Confident	60.7	Low	11 Å²	11	102.1 Å²	102.1	7%	0.067	54%	0.538	C	S	.	.	H	α-helix	trans	-65.4	-20.4	178.2	-68.9	0	0	0	0	113.1	K604 G619 F655 Y659	K604-V651 HydrophobicContact CB-CG2 4.31Å; K604-V651 HydrophobicContact CD-CG2 4.43Å; G619-V651 VanDerWaalsContact CA-CG1 3.46Å; V651-F655 HydrophobicContact CB-CD2 4.42Å; V651-F655 PolarHBondContact O-N 3.16Å; V651-Y659 HydrophobicContact CB-CE2 3.96Å; V651-Y659 HydrophobicContact CG2-CE1 4.27Å; V651-Y659 HydrophobicContact CG2-CE2 3.96Å; V651-Y659 WeakPolarHBondContact O-CD2 3.42Å
652	E	79.1	Confident	63.4	Low	57 Å²	57	95.2 Å²	95.2	27%	0.266	52%	0.516	S	S	.	.	H	α-helix	trans	-68.6	-33.5	168.6	-60.9	110.4	-177.9	0	0	112.6	K604 S650 P656 Y659 C663	K604-E652 WeakPolarHBondContact CD-OE1 3.4Å; K604-E652 VanDerWaalsContact CE-OE1 3.32Å; K604-E652 WeakPolarHBondContact CE-OE1 3.19Å; K604-E652 IonicContact NZ-OE1 2.71Å; K604-E652 PolarHBondContact NZ-OE1 3.28Å; K604-E652 IonicContact NZ-OE2 3.51Å; K604-E652 PolarHBondContact NZ-OE2 3.48Å; S650-E652 PolarHBondContact O-N 3.15Å; S650-E652 PolarHBondContact OG-OE2 3.4Å; E652-P656 VanDerWaalsContact O-CA 3.31Å; E652-P656 WeakPolarHBondContact O-CA 3.49Å; E652-Y659 HydrophobicContact CG-CD1 4.26Å; E652-Y659 HydrophobicContact CG-CG 4.24Å; E652-C663 PolarHBondContact OE1-SG 3.18Å
653	E	78	Confident	66.3	Low	131 Å²	131	92.7 Å²	92.7	61%	0.612	50%	0.497	S	S	*	.	H	α-helix	trans	-80.7	-39.7	179	-59.8	168.5	149.6	0	0	111.2	S650 P656	S650-E653 PolarHBondContact N-OE2 3.04Å; S650-E653 WeakPolarHBondContact O-CA 3.48Å; S650-E653 WeakPolarHBondContact O-CB 3.26Å; S650-E653 PolarHBondContact O-N 3.49Å; E653-P656 WeakPolarHBondContact O-CD 3.3Å
654	A	75.3	Confident	69.2	Low	47 Å²	47	87.3 Å²	87.3	39%	0.388	47%	0.471	S	S	.	.	H	α-helix	trans	-74.5	-30.8	179	0	0	0	0	0	113.3	S650 P656	S650-A654 PolarHBondContact O-N 2.93Å; A654-P656 VanDerWaalsContact C-CD 3.5Å
655	F	82.4	Confident	71.9	Confident	49 Å²	49	81.8 Å²	81.8	22%	0.215	45%	0.448	C	S	.	.			trans	-131.6	57.4	-177	-54.3	-72.3	0	0	0	112.6	Y616 T617 V651 H657 I658 Y659	Y616-F655 HydrophobicContact CD2-CE1 4.16Å; Y616-F655 HydrophobicContact CD2-CZ 4.07Å; Y616-F655 AromaticContact CE2-CE1 3.98Å; Y616-F655 HydrophobicContact CE2-CE1 3.98Å; Y616-F655 HydrophobicContact CE2-CZ 4.37Å; T617-F655 HydrophobicContact CG2-CD1 4.13Å; T617-F655 HydrophobicContact CG2-CE1 4.25Å; T617-F655 HydrophobicContact CG2-CG 4.3Å; V651-F655 HydrophobicContact CB-CD2 4.42Å; V651-F655 PolarHBondContact O-N 3.16Å; F655-H657 VanDerWaalsContact C-N 3.27Å; F655-H657 PolarHBondContact O-N 2.96Å; F655-I658 HydrophobicContact CB-CB 4.19Å; F655-I658 HydrophobicContact CB-CD1 4.18Å; F655-I658 HydrophobicContact CB-CG1 4.33Å; F655-I658 HydrophobicContact CD1-CD1 4.47Å; F655-I658 PolarHBondContact O-N 3.44Å; F655-Y659 HydrophobicContact CB-CD2 4.21Å; F655-Y659 HydrophobicContact CB-CE2 4.48Å; F655-Y659 PolarHBondContact O-N 3.32Å; F655-Y659 VanDerWaalsContact O-N 3.14Å
656	P	78.3	Confident	74.9	Confident	66 Å²	66	83.1 Å²	83.1	43%	0.429	44%	0.44	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.5	-33.2	-169.8	25	-35	0	0	0	113	E652 E653 A654 I658 Y659 A660	E652-P656 VanDerWaalsContact O-CA 3.31Å; E652-P656 WeakPolarHBondContact O-CA 3.49Å; E653-P656 WeakPolarHBondContact O-CD 3.3Å; A654-P656 VanDerWaalsContact C-CD 3.5Å; P656-I658 VanDerWaalsContact C-N 3.32Å; P656-I658 PolarHBondContact O-N 2.93Å; P656-Y659 CarbonylContact O-C 3.54Å; P656-A660 VanDerWaalsContact O-CA 3.3Å; P656-A660 WeakPolarHBondContact O-CA 3.16Å; P656-A660 WeakPolarHBondContact O-CB 3.25Å; P656-A660 PolarHBondContact O-N 3.18Å
657	H	78.6	Confident	77.6	Confident	175 Å²	175	79.2 Å²	79.2	81%	0.81	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.3	-28.7	177.2	-55.5	-57.4	0	0	0	113.5	F655	F655-H657 VanDerWaalsContact C-N 3.27Å; F655-H657 PolarHBondContact O-N 2.96Å
658	I	80.9	Confident	80.2	Confident	55 Å²	55	70.4 Å²	70.4	28%	0.282	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-37.9	-179.4	-58.6	-175.8	0	0	0	110.1	P606 I613 T617 F655 P656	P606-I658 HydrophobicContact CG-CG2 3.71Å; I613-I658 HydrophobicContact CD1-CG2 4.48Å; I613-I658 HydrophobicContact CG2-CG2 4.22Å; T617-I658 HydrophobicContact CG2-CD1 3.4Å; T617-I658 VanDerWaalsContact CG2-CD1 3.4Å; F655-I658 HydrophobicContact CB-CB 4.19Å; F655-I658 HydrophobicContact CB-CD1 4.18Å; F655-I658 HydrophobicContact CB-CG1 4.33Å; F655-I658 HydrophobicContact CD1-CD1 4.47Å; F655-I658 PolarHBondContact O-N 3.44Å; P656-I658 VanDerWaalsContact C-N 3.32Å; P656-I658 PolarHBondContact O-N 2.93Å
659	Y	84	Confident	82.3	Confident	13 Å²	13	61.9 Å²	61.9	5%	0.051	34%	0.339	C	S	.	.	S	Bend	trans	-92.5	10.1	176.6	-70.6	-89.8	0	0	0	113.6	K604 P606 T617 V651 E652 F655 P656 H661 G662 C663	K604-Y659 PolarHBondContact O-OH 3.46Å; P606-Y659 HydrophobicContact CG-CD1 4.14Å; P606-Y659 HydrophobicContact CG-CE1 3.85Å; P606-Y659 HydrophobicContact CG-CE2 4.27Å; T617-Y659 PolarHBondContact O-OH 3.43Å; V651-Y659 HydrophobicContact CB-CE2 3.96Å; V651-Y659 HydrophobicContact CG2-CE1 4.27Å; V651-Y659 HydrophobicContact CG2-CE2 3.96Å; V651-Y659 WeakPolarHBondContact O-CD2 3.42Å; E652-Y659 HydrophobicContact CG-CD1 4.26Å; E652-Y659 HydrophobicContact CG-CG 4.24Å; F655-Y659 HydrophobicContact CB-CD2 4.21Å; F655-Y659 HydrophobicContact CB-CE2 4.48Å; F655-Y659 PolarHBondContact O-N 3.32Å; F655-Y659 VanDerWaalsContact O-N 3.14Å; P656-Y659 CarbonylContact O-C 3.54Å; Y659-H661 PolarHBondContact O-N 2.85Å; Y659-G662 WeakPolarHBondContact O-CA 3.41Å; Y659-G662 PolarHBondContact O-N 2.79Å; Y659-C663 HydrophobicContact CD1-CB 3.91Å; Y659-C663 HydrophobicContact CE1-CB 4.12Å
660	A	81.6	Confident	84	Confident	67 Å²	67	57.4 Å²	57.4	55%	0.554	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.5	-15.7	-177.7	0	0	0	0	0	115	P656	P656-A660 VanDerWaalsContact O-CA 3.3Å; P656-A660 WeakPolarHBondContact O-CA 3.16Å; P656-A660 WeakPolarHBondContact O-CB 3.25Å; P656-A660 PolarHBondContact O-N 3.18Å
661	H	81.6	Confident	84.9	Confident	119 Å²	119	59 Å²	59	55%	0.551	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	16.4	175.9	-62.1	-50	0	0	0	113.2	S607 K608 Y659	S607-H661 WeakPolarHBondContact CB-O 3.46Å; S607-H661 VanDerWaalsContact OG-C 3.32Å; S607-H661 WeakPolarHBondContact OG-CB 3.26Å; S607-H661 PolarHBondContact OG-O 3.43Å; K608-H661 HydrophobicContact CD-CB 4.2Å; K608-H661 VanDerWaalsContact CD-CD2 3.43Å; K608-H661 WeakPolarHBondContact CD-CD2 3.49Å; K608-H661 WeakPolarHBondContact CE-CD2 3.47Å; K608-H661 VanDerWaalsContact CE-CG 3.4Å; K608-H661 HydrophobicContact CG-CB 4.16Å; K608-H661 PolarHBondContact NZ-CD2 3.23Å; K608-H661 PolarHBondContact NZ-CE1 2.88Å; K608-H661 PolarHBondContact NZ-ND1 3.2Å; K608-H661 PolarHBondContact NZ-NE2 2.57Å; Y659-H661 PolarHBondContact O-N 2.85Å
662	G	84.4	Confident	85.7	Confident	37 Å²	37	58.5 Å²	58.5	38%	0.381	32%	0.324	S	S	.	.			trans	83.5	167.2	-176	0	0	0	0	0	113.9	S607 Y659	S607-G662 WeakPolarHBondContact CB-O 3.45Å; S607-G662 PolarHBondContact N-O 3Å; S607-G662 PolarHBondContact OG-O 3.35Å; Y659-G662 WeakPolarHBondContact O-CA 3.41Å; Y659-G662 PolarHBondContact O-N 2.79Å
663	C	86.2	Confident	86.2	Confident	53 Å²	53	56.7 Å²	56.7	36%	0.358	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	157.5	175.8	65.8	0	0	0	0	112.3	M605 E652 Y659	M605-C663 CarbonylContact O-C 3.29Å; M605-C663 WeakPolarHBondContact O-CA 3.19Å; E652-C663 PolarHBondContact OE1-SG 3.18Å; Y659-C663 HydrophobicContact CD1-CB 3.91Å; Y659-C663 HydrophobicContact CE1-CB 4.12Å
664	V	88.2	Confident	86.7	Confident	50 Å²	50	53.6 Å²	53.6	30%	0.303	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	139.7	166.6	-65.9	0	0	0	0	109.6	M605	M605-V664 HydrophobicContact CB-CG2 4.18Å; M605-V664 PolarHBondContact N-O 2.96Å; M605-V664 PolarHBondContact O-N 3.03Å
665	L	89.4	Confident	87.4	Confident	80 Å²	80	53.7 Å²	53.7	42%	0.419	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.7	131	173.6	-63.7	179.2	0	0	0	110.1	K602 M603 K604	K602-L665 HydrophobicContact CB-CB 4.34Å; K602-L665 HydrophobicContact CB-CD1 4.36Å; K602-L665 HydrophobicContact CB-CD2 4.34Å; K602-L665 HydrophobicContact CD-CB 4.36Å; K602-L665 HydrophobicContact CG-CD1 4.48Å; M603-L665 WeakPolarHBondContact O-CA 3.48Å; K604-L665 HydrophobicContact CG-CD2 3.73Å
666	K	91.4	Very high	87.8	Confident	74 Å²	74	51.3 Å²	51.3	32%	0.322	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	143.6	174.4	-63.9	-59.4	-175.2	-170.9	0	110.9	L589 K602 M603 M605	L589-K666 HydrophobicContact CB-CB 4.34Å; L589-K666 HydrophobicContact CD1-CG 4.35Å; L589-K666 HydrophobicContact CD2-CB 3.93Å; L589-K666 HydrophobicContact CD2-CG 4.11Å; L589-K666 HydrophobicContact CG-CB 4.5Å; K602-K666 WeakPolarHBondContact CA-O 3.37Å; M603-K666 PolarHBondContact N-O 3.37Å; M603-K666 PolarHBondContact O-N 3.28Å; M605-K666 HydrophobicContact CB-CG 4.16Å; M605-K666 HydrophobicContact CG-CB 3.95Å; M605-K666 HydrophobicContact CG-CG 3.57Å
667	D	93.7	Very high	88.1	Confident	38 Å²	38	49.3 Å²	49.3	20%	0.203	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	129.3	175.2	-70.8	-85.2	0	0	0	111.1	P586 C588 L589 S600 K602	P586-D667 HydrophobicContact CB-CB 4.03Å; C588-D667 CarbonylContact C-O 3.44Å; C588-D667 WeakPolarHBondContact CA-O 3.33Å; L589-D667 PolarHBondContact N-O 2.97Å; S600-D667 VanDerWaalsContact OG-CB 3.29Å; S600-D667 WeakPolarHBondContact OG-CB 3.38Å; S600-D667 PolarHBondContact OG-OD1 3.12Å; K602-D667 IonicContact NZ-OD1 3.97Å; K602-D667 PolarHBondContact NZ-OD1 3.46Å; K602-D667 IonicContact NZ-OD2 3.35Å; K602-D667 PolarHBondContact NZ-OD2 2.81Å
668	V	94.5	Very high	88.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	132.3	177.3	-176.2	0	0	0	0	107.7	L589 F590 I601 M603 C672	L589-V668 HydrophobicContact CB-CG2 4.31Å; F590-V668 HydrophobicContact CD2-CG1 3.88Å; F590-V668 HydrophobicContact CD2-CG2 3.99Å; F590-V668 HydrophobicContact CE2-CG1 4.3Å; F590-V668 HydrophobicContact CE2-CG2 3.92Å; I601-V668 PolarHBondContact N-O 2.93Å; I601-V668 PolarHBondContact O-N 3.14Å; M603-V668 HydrophobicContact CB-CG2 3.73Å; M603-V668 HydrophobicContact SD-CG2 4.14Å; V668-C672 HydrophobicContact CG1-CB 3.57Å
669	C	94.6	Very high	88.6	Confident	1 Å²	1	43.5 Å²	43.5	1%	0.007	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	156.1	178.1	74.3	0	0	0	0	111.6	C588 V595 C599 E671 C672 T673	C588-C669 HydrophobicContact CB-CB 4.17Å; C588-C669 PolarHBondContact SG-N 3.2Å; V595-C669 HydrophobicContact CB-CB 4.48Å; V595-C669 HydrophobicContact CG1-CB 3.77Å; V595-C669 HydrophobicContact CG2-CB 3.76Å; C599-C669 CarbonylContact O-C 3.53Å; C599-C669 VanDerWaalsContact O-CA 3.25Å; C599-C669 WeakPolarHBondContact O-CA 3.43Å; C669-E671 VanDerWaalsContact C-N 3.28Å; C669-E671 PolarHBondContact O-N 3.2Å; C669-C672 CarbonylContact O-C 3.5Å; C669-C672 PolarHBondContact O-N 3.44Å; C669-C672 PolarHBondContact SG-N 3.45Å; C669-C672 PolarHBondContact SG-SG 2.95Å; C669-T673 PolarHBondContact O-N 3.23Å; C669-T673 PolarHBondContact O-OG1 3.24Å
670	S	91.7	Very high	88.7	Confident	47 Å²	47	43.3 Å²	43.3	33%	0.329	26%	0.256	S	S	.	.	H	α-helix	trans	-50.8	-42.8	-179.1	52.5	0	0	0	0	113.9	C599 T673 S674	C599-S670 PolarHBondContact O-N 2.87Å; S670-T673 VanDerWaalsContact O-CB 3.32Å; S670-T673 WeakPolarHBondContact O-CB 3.24Å; S670-T673 PolarHBondContact O-N 3.19Å; S670-S674 PolarHBondContact O-N 2.84Å
671	E	91.3	Very high	88.6	Confident	69 Å²	69	45.6 Å²	45.6	32%	0.322	25%	0.251	S	S	.	.	H	α-helix	trans	-69.2	-35	176.3	-67.9	161.5	-149.9	0	0	113.9	R545 C574 C669 T673 S674 F675	R545-E671 IonicContact NH2-OE2 2.71Å; R545-E671 PolarHBondContact NH2-OE2 3.28Å; C574-E671 VanDerWaalsContact CA-OE1 3.26Å; C574-E671 WeakPolarHBondContact CA-OE1 3.49Å; C574-E671 WeakPolarHBondContact CB-OE1 3.27Å; C574-E671 PolarHBondContact SG-OE1 3.04Å; C669-E671 VanDerWaalsContact C-N 3.28Å; C669-E671 PolarHBondContact O-N 3.2Å; E671-T673 VanDerWaalsContact C-N 3.27Å; E671-S674 PolarHBondContact O-OG 3Å; E671-S674 VanDerWaalsContact O-OG 3.08Å; E671-F675 WeakPolarHBondContact O-CB 3.36Å; E671-F675 PolarHBondContact O-N 3.18Å
672	C	93.8	Very high	88.5	Confident	0 Å²	0	43.3 Å²	43.3	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-74.2	-25.1	173.2	-67.8	0	0	0	0	111.1	R545 C588 F590 V668 C669 V676	R545-C672 VanDerWaalsContact CG-SG 3.51Å; C588-C672 VanDerWaalsContact SG-SG 3.62Å; F590-C672 HydrophobicContact CB-CB 4.22Å; V668-C672 HydrophobicContact CG1-CB 3.57Å; C669-C672 CarbonylContact O-C 3.5Å; C669-C672 PolarHBondContact O-N 3.44Å; C669-C672 PolarHBondContact SG-N 3.45Å; C669-C672 PolarHBondContact SG-SG 2.95Å; C672-V676 VanDerWaalsContact O-CB 3.25Å; C672-V676 WeakPolarHBondContact O-CB 3.32Å; C672-V676 WeakPolarHBondContact O-CG2 3.29Å; C672-V676 PolarHBondContact O-N 2.89Å
673	T	91.1	Very high	88.3	Confident	19 Å²	19	41.9 Å²	41.9	12%	0.117	23%	0.233	C	C	.	.	H	α-helix	trans	-68.5	-48.2	178.5	-55.7	0	0	0	0	110.3	I601 F620 C669 S670 E671 A677	I601-T673 HydrophobicContact CB-CG2 4.45Å; I601-T673 HydrophobicContact CD1-CG2 3.77Å; I601-T673 HydrophobicContact CG2-CG2 4.15Å; F620-T673 HydrophobicContact CD1-CG2 3.78Å; F620-T673 HydrophobicContact CE1-CG2 3.39Å; F620-T673 HydrophobicContact CZ-CG2 4.06Å; F620-T673 WeakPolarHBondContact CZ-O 3.41Å; C669-T673 PolarHBondContact O-N 3.23Å; C669-T673 PolarHBondContact O-OG1 3.24Å; S670-T673 VanDerWaalsContact O-CB 3.32Å; S670-T673 WeakPolarHBondContact O-CB 3.24Å; S670-T673 PolarHBondContact O-N 3.19Å; E671-T673 VanDerWaalsContact C-N 3.27Å; T673-A677 VanDerWaalsContact O-CB 3.26Å; T673-A677 WeakPolarHBondContact O-CB 3.31Å; T673-A677 PolarHBondContact O-N 2.84Å
674	S	87.1	Confident	88	Confident	66 Å²	66	41.2 Å²	41.2	46%	0.462	22%	0.223	S	C	.	.	H	α-helix	trans	-61.6	-51.9	174.1	50.2	0	0	0	0	111.6	S670 E671 V676 A677 D678	S670-S674 PolarHBondContact O-N 2.84Å; E671-S674 PolarHBondContact O-OG 3Å; E671-S674 VanDerWaalsContact O-OG 3.08Å; S674-V676 PolarHBondContact O-N 3.09Å; S674-A677 WeakPolarHBondContact O-CB 3.28Å; S674-A677 PolarHBondContact O-N 3.15Å; S674-D678 PolarHBondContact O-N 2.9Å
675	F	90.8	Very high	87.4	Confident	49 Å²	49	45.6 Å²	45.6	22%	0.215	24%	0.237	C	C	.	.	H	α-helix	trans	-52.6	-49.7	177.5	173.2	-101.9	0	0	0	112.7	V541 V544 R545 L548 E671 D678 V679	V541-F675 HydrophobicContact CG1-CE1 3.81Å; V544-F675 HydrophobicContact CG1-CZ 4.08Å; R545-F675 HydrophobicContact CB-CD1 4.18Å; R545-F675 HydrophobicContact CB-CE1 3.84Å; R545-F675 HydrophobicContact CG-CD1 4.11Å; R545-F675 HydrophobicContact CG-CE1 4.27Å; L548-F675 HydrophobicContact CD1-CE2 4.19Å; L548-F675 HydrophobicContact CD1-CZ 4.41Å; E671-F675 WeakPolarHBondContact O-CB 3.36Å; E671-F675 PolarHBondContact O-N 3.18Å; F675-D678 PolarHBondContact O-N 3.45Å; F675-V679 HydrophobicContact CE1-CG2 4.32Å; F675-V679 HydrophobicContact CE2-CG2 4.18Å; F675-V679 HydrophobicContact CZ-CG2 4.06Å; F675-V679 WeakPolarHBondContact O-CG2 3.41Å; F675-V679 PolarHBondContact O-N 3.21Å
676	V	89.8	Confident	86.4	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.3	-36.4	179	173.6	0	0	0	0	111.2	V541 F590 M603 L618 F620 C672 S674 D678 V679 V680	V541-V676 HydrophobicContact CG1-CG2 4.23Å; F590-V676 HydrophobicContact CD1-CG2 3.68Å; F590-V676 HydrophobicContact CD2-CG2 3.96Å; F590-V676 HydrophobicContact CE1-CG1 4.41Å; F590-V676 HydrophobicContact CE1-CG2 3.52Å; F590-V676 HydrophobicContact CE2-CG1 4.43Å; F590-V676 HydrophobicContact CE2-CG2 3.81Å; F590-V676 HydrophobicContact CG-CG2 3.92Å; F590-V676 HydrophobicContact CZ-CB 4.42Å; F590-V676 HydrophobicContact CZ-CG1 3.95Å; F590-V676 HydrophobicContact CZ-CG2 3.59Å; M603-V676 HydrophobicContact CE-CG1 3.59Å; M603-V676 HydrophobicContact SD-CG1 4.22Å; L618-V676 HydrophobicContact CD1-CG1 4.38Å; F620-V676 HydrophobicContact CZ-CB 4.17Å; F620-V676 HydrophobicContact CZ-CG1 4.05Å; C672-V676 VanDerWaalsContact O-CB 3.25Å; C672-V676 WeakPolarHBondContact O-CB 3.32Å; C672-V676 WeakPolarHBondContact O-CG2 3.29Å; C672-V676 PolarHBondContact O-N 2.89Å; S674-V676 PolarHBondContact O-N 3.09Å; V676-D678 VanDerWaalsContact C-N 3.32Å; V676-D678 PolarHBondContact O-N 3.01Å; V676-V679 PolarHBondContact O-N 2.64Å; V676-V680 HydrophobicContact CG1-CG2 3.99Å; V676-V680 WeakPolarHBondContact O-CB 3.17Å; V676-V680 WeakPolarHBondContact O-CG2 3.23Å; V676-V680 PolarHBondContact O-N 2.66Å
677	A	86.3	Confident	85.4	Confident	23 Å²	23	41.3 Å²	41.3	19%	0.19	22%	0.222	C	C	.	.	H	α-helix	trans	-62.2	-38.5	175.8	0	0	0	0	0	112.7	F620 T673 S674 R681	F620-A677 HydrophobicContact CD2-CB 4.47Å; F620-A677 HydrophobicContact CE2-CB 3.58Å; F620-A677 HydrophobicContact CZ-CB 3.94Å; T673-A677 VanDerWaalsContact O-CB 3.26Å; T673-A677 WeakPolarHBondContact O-CB 3.31Å; T673-A677 PolarHBondContact O-N 2.84Å; S674-A677 WeakPolarHBondContact O-CB 3.28Å; S674-A677 PolarHBondContact O-N 3.15Å; A677-R681 VanDerWaalsContact O-CB 3.29Å; A677-R681 WeakPolarHBondContact O-CB 3.12Å; A677-R681 PolarHBondContact O-N 3.23Å
678	D	83.6	Confident	84.2	Confident	81 Å²	81	44 Å²	44	43%	0.433	24%	0.236	S	C	.	.	H	α-helix	trans	-72	-41.6	178	-62.4	-29.9	0	0	0	111.5	S674 F675 V676 R681 S682	S674-D678 PolarHBondContact O-N 2.9Å; F675-D678 PolarHBondContact O-N 3.45Å; V676-D678 VanDerWaalsContact C-N 3.32Å; V676-D678 PolarHBondContact O-N 3.01Å; D678-R681 PolarHBondContact O-N 2.91Å; D678-R681 IonicContact OD1-CZ 2.96Å; D678-R681 IonicContact OD1-NH1 3.81Å; D678-R681 PolarHBondContact OD1-NH1 3.03Å; D678-R681 IonicContact OD1-NH2 3.48Å; D678-R681 PolarHBondContact OD1-NH2 3.26Å; D678-S682 WeakPolarHBondContact O-CB 3.27Å; D678-S682 PolarHBondContact O-N 3.35Å
679	V	86.3	Confident	82.9	Confident	28 Å²	28	46.4 Å²	46.4	17%	0.17	25%	0.251	C	S	.	.	H	α-helix	trans	-61.8	-45.3	172.9	172.3	0	0	0	0	111.6	L536 V541 V615 F675 V676 S682 S683	L536-V679 HydrophobicContact CD1-CG1 4.46Å; V541-V679 HydrophobicContact CG1-CG1 4.41Å; V541-V679 HydrophobicContact CG2-CG1 3.94Å; V615-V679 HydrophobicContact CG1-CG1 3.74Å; V615-V679 HydrophobicContact CG2-CG1 4.13Å; F675-V679 HydrophobicContact CE1-CG2 4.32Å; F675-V679 HydrophobicContact CE2-CG2 4.18Å; F675-V679 HydrophobicContact CZ-CG2 4.06Å; F675-V679 WeakPolarHBondContact O-CG2 3.41Å; F675-V679 PolarHBondContact O-N 3.21Å; V676-V679 PolarHBondContact O-N 2.64Å; V679-S682 PolarHBondContact O-N 2.88Å; V679-S683 VanDerWaalsContact O-CB 3.31Å; V679-S683 WeakPolarHBondContact O-CB 3.31Å; V679-S683 PolarHBondContact O-N 3.44Å
680	V	85.1	Confident	81.2	Confident	8 Å²	8	49.7 Å²	49.7	5%	0.048	27%	0.268	C	S	.	.	H	α-helix	trans	-59.6	-47.3	175	169.8	0	0	0	0	110.7	V615 L618 V676 S683 R684	V615-V680 HydrophobicContact CG2-CG2 4Å; V615-V680 WeakPolarHBondContact O-CG2 3.07Å; L618-V680 HydrophobicContact CB-CG2 4.31Å; V676-V680 HydrophobicContact CG1-CG2 3.99Å; V676-V680 WeakPolarHBondContact O-CB 3.17Å; V676-V680 WeakPolarHBondContact O-CG2 3.23Å; V676-V680 PolarHBondContact O-N 2.66Å; V680-S683 PolarHBondContact O-N 3.04Å; V680-R684 WeakPolarHBondContact O-CB 3.46Å; V680-R684 WeakPolarHBondContact O-CG 3.21Å; V680-R684 PolarHBondContact O-N 3.49Å
681	R	80.7	Confident	79.7	Confident	115 Å²	115	53.4 Å²	53.4	43%	0.434	28%	0.284	S	S	.	.	H	α-helix	trans	-65.2	-40	-179	-164.6	-172.1	-51.2	104.8	4.3	111.9	A677 D678 K685	A677-R681 VanDerWaalsContact O-CB 3.29Å; A677-R681 WeakPolarHBondContact O-CB 3.12Å; A677-R681 PolarHBondContact O-N 3.23Å; D678-R681 PolarHBondContact O-N 2.91Å; D678-R681 IonicContact OD1-CZ 2.96Å; D678-R681 IonicContact OD1-NH1 3.81Å; D678-R681 PolarHBondContact OD1-NH1 3.03Å; D678-R681 IonicContact OD1-NH2 3.48Å; D678-R681 PolarHBondContact OD1-NH2 3.26Å; R681-K685 WeakPolarHBondContact O-CG 3.33Å; R681-K685 PolarHBondContact O-N 2.56Å
682	S	79.6	Confident	78.2	Confident	71 Å²	71	55.4 Å²	55.4	50%	0.497	30%	0.301	S	S	.	.	H	α-helix	trans	-64.5	-52.1	175.8	-168.7	0	0	0	0	111.1	D678 V679 R684 K685 S686	D678-S682 WeakPolarHBondContact O-CB 3.27Å; D678-S682 PolarHBondContact O-N 3.35Å; V679-S682 PolarHBondContact O-N 2.88Å; S682-R684 VanDerWaalsContact C-N 3.34Å; S682-R684 PolarHBondContact O-N 2.85Å; S682-K685 WeakPolarHBondContact O-CB 3.23Å; S682-K685 PolarHBondContact O-N 2.79Å; S682-K685 VanDerWaalsContact O-N 3.14Å; S682-S686 PolarHBondContact O-N 2.87Å; S682-S686 PolarHBondContact O-OG 3.15Å
683	S	79.8	Confident	76	Confident	8 Å²	8	58.1 Å²	58.1	6%	0.056	32%	0.318	C	S	.	.	H	α-helix	trans	-62.6	-37.2	-178.8	-169.7	0	0	0	0	112.5	V679 V680 S686 V687	V679-S683 VanDerWaalsContact O-CB 3.31Å; V679-S683 WeakPolarHBondContact O-CB 3.31Å; V679-S683 PolarHBondContact O-N 3.44Å; V680-S683 PolarHBondContact O-N 3.04Å; S683-S686 PolarHBondContact O-N 3.26Å; S683-V687 WeakPolarHBondContact O-CG2 3.49Å; S683-V687 PolarHBondContact O-N 2.78Å
684	R	79.5	Confident	73.6	Confident	39 Å²	39	62.2 Å²	62.2	15%	0.147	35%	0.345	C	S	.	.	H	α-helix	trans	-60.2	-50.9	171	-75.5	-177.3	-177.5	161.7	8.3	112.2	Y616 L618 V680 S682 S686 V687 D688	Y616-R684 VanDerWaalsContact O-CZ 3.23Å; Y616-R684 PolarHBondContact O-NE 3.25Å; Y616-R684 PolarHBondContact O-NH2 3.48Å; L618-R684 PolarHBondContact O-NH2 3.09Å; V680-R684 WeakPolarHBondContact O-CB 3.46Å; V680-R684 WeakPolarHBondContact O-CG 3.21Å; V680-R684 PolarHBondContact O-N 3.49Å; S682-R684 VanDerWaalsContact C-N 3.34Å; S682-R684 PolarHBondContact O-N 2.85Å; R684-S686 VanDerWaalsContact C-N 3.28Å; R684-S686 PolarHBondContact O-N 3.19Å; R684-V687 PolarHBondContact O-N 3.14Å; R684-D688 VanDerWaalsContact O-CG 3.25Å; R684-D688 PolarHBondContact O-N 3.48Å
685	K	74.6	Confident	71.5	Confident	141 Å²	141	71 Å²	71	61%	0.613	37%	0.368	S	S	*	.	H	α-helix	trans	-56.1	-41.7	177.1	-75.4	-179.4	173.8	-168.2	0	112.4	R681 S682 D688 V689	R681-K685 WeakPolarHBondContact O-CG 3.33Å; R681-K685 PolarHBondContact O-N 2.56Å; S682-K685 WeakPolarHBondContact O-CB 3.23Å; S682-K685 PolarHBondContact O-N 2.79Å; S682-K685 VanDerWaalsContact O-N 3.14Å; K685-D688 PolarHBondContact O-N 2.82Å; K685-V689 WeakPolarHBondContact O-CG2 3.31Å; K685-V689 PolarHBondContact O-N 2.99Å
686	S	69.9	Low	68.9	Low	31 Å²	31	79 Å²	79	22%	0.217	40%	0.397	C	S	.	.	H	α-helix	trans	-61.7	-45.6	175.1	-58.3	0	0	0	0	111.7	S682 S683 R684 V689 L690	S682-S686 PolarHBondContact O-N 2.87Å; S682-S686 PolarHBondContact O-OG 3.15Å; S683-S686 PolarHBondContact O-N 3.26Å; R684-S686 VanDerWaalsContact C-N 3.28Å; R684-S686 PolarHBondContact O-N 3.19Å; S686-V689 PolarHBondContact O-N 2.88Å; S686-L690 WeakPolarHBondContact O-CG 3.37Å; S686-L690 PolarHBondContact O-N 2.77Å; S686-L690 VanDerWaalsContact O-N 3.11Å
687	V	69.4	Low	66.3	Low	33 Å²	33	84.5 Å²	84.5	20%	0.2	44%	0.435	C	S	.	.	H	α-helix	trans	-65.1	-40.1	177.5	170.6	0	0	0	0	112.1	Y616 S683 R684 V689 L690 N691	Y616-V687 HydrophobicContact CD1-CG2 3.85Å; Y616-V687 HydrophobicContact CE1-CG2 3.8Å; Y616-V687 HydrophobicContact CG-CG2 4.44Å; S683-V687 WeakPolarHBondContact O-CG2 3.49Å; S683-V687 PolarHBondContact O-N 2.78Å; R684-V687 PolarHBondContact O-N 3.14Å; V687-V689 VanDerWaalsContact C-N 3.34Å; V687-V689 PolarHBondContact O-N 3.33Å; V687-L690 PolarHBondContact O-N 3.29Å; V687-N691 WeakPolarHBondContact CG1-ND2 3.39Å; V687-N691 PolarHBondContact O-N 2.68Å; V687-N691 PolarHBondContact O-ND2 3.11Å
688	D	68.9	Low	64	Low	95 Å²	95	93.2 Å²	93.2	51%	0.508	46%	0.463	S	S	.	.	H	α-helix	trans	-63.5	-39.9	177.6	-65.1	-30.3	0	0	0	111.5	R684 K685 N691 T692	R684-D688 VanDerWaalsContact O-CG 3.25Å; R684-D688 PolarHBondContact O-N 3.48Å; K685-D688 PolarHBondContact O-N 2.82Å; D688-N691 PolarHBondContact O-N 3.41Å; D688-T692 WeakPolarHBondContact O-CB 3.42Å; D688-T692 WeakPolarHBondContact O-CG2 3.32Å; D688-T692 PolarHBondContact O-N 3.08Å; D688-T692 VanDerWaalsContact O-N 3.07Å; D688-T692 PolarHBondContact O-OG1 3.09Å
689	V	66.4	Low	61.7	Low	50 Å²	50	98.5 Å²	98.5	30%	0.303	49%	0.485	S	S	.	.	H	α-helix	trans	-58.2	-50.8	170.5	162.2	0	0	0	0	110.8	L525 K685 S686 V687 N691 T692 T693	L525-V689 HydrophobicContact CD2-CG1 3.67Å; L525-V689 HydrophobicContact CD2-CG2 4.05Å; K685-V689 WeakPolarHBondContact O-CG2 3.31Å; K685-V689 PolarHBondContact O-N 2.99Å; S686-V689 PolarHBondContact O-N 2.88Å; V687-V689 VanDerWaalsContact C-N 3.34Å; V687-V689 PolarHBondContact O-N 3.33Å; V689-N691 VanDerWaalsContact C-N 3.26Å; V689-N691 PolarHBondContact O-N 2.88Å; V689-T692 PolarHBondContact O-N 3.25Å; V689-T692 PolarHBondContact O-OG1 2.72Å; V689-T693 PolarHBondContact O-N 2.72Å; V689-T693 PolarHBondContact O-OG1 3.29Å; V689-T693 VanDerWaalsContact O-OG1 3.07Å
690	L	60.6	Low	59.1	Low	71 Å²	71	102.9 Å²	102.9	37%	0.372	51%	0.512	S	S	.	.	H	α-helix	trans	-61	-34.1	-179.5	-63.9	-175.3	0	0	0	113.4	P530 S686 V687	P530-L690 HydrophobicContact CB-CD1 4.46Å; P530-L690 HydrophobicContact CB-CD2 3.78Å; P530-L690 HydrophobicContact CG-CD2 4.15Å; S686-L690 WeakPolarHBondContact O-CG 3.37Å; S686-L690 PolarHBondContact O-N 2.77Å; S686-L690 VanDerWaalsContact O-N 3.11Å; V687-L690 PolarHBondContact O-N 3.29Å
691	N	59.7	Low	56.4	Low	125 Å²	125	111.3 Å²	111.3	67%	0.668	55%	0.551	S	S	*	*	H	α-helix	trans	-81.8	-19.2	-179.8	-70.2	-35.1	0	0	0	113.8	V687 D688 V689	V687-N691 WeakPolarHBondContact CG1-ND2 3.39Å; V687-N691 PolarHBondContact O-N 2.68Å; V687-N691 PolarHBondContact O-ND2 3.11Å; D688-N691 PolarHBondContact O-N 3.41Å; V689-N691 VanDerWaalsContact C-N 3.26Å; V689-N691 PolarHBondContact O-N 2.88Å
692	T	58.7	Low	53.9	Low	110 Å²	110	110.6 Å²	110.6	68%	0.675	56%	0.564	S	S	*	*	H	α-helix	trans	-98.1	-13.8	-178.7	50.3	0	0	0	0	113.8	D688 V689 P694	D688-T692 WeakPolarHBondContact O-CB 3.42Å; D688-T692 WeakPolarHBondContact O-CG2 3.32Å; D688-T692 PolarHBondContact O-N 3.08Å; D688-T692 VanDerWaalsContact O-N 3.07Å; D688-T692 PolarHBondContact O-OG1 3.09Å; V689-T692 PolarHBondContact O-N 3.25Å; V689-T692 PolarHBondContact O-OG1 2.72Å; T692-P694 WeakPolarHBondContact O-CD 2.98Å
693	T	49	Very low	51.6	Low	57 Å²	57	115.6 Å²	115.6	35%	0.35	58%	0.584	S	S	.	*	S	Bend	trans	-69	117.7	172.3	-51.3	0	0	0	0	111.1	V689 R695	V689-T693 PolarHBondContact O-N 2.72Å; V689-T693 PolarHBondContact O-OG1 3.29Å; V689-T693 VanDerWaalsContact O-OG1 3.07Å; T693-R695 PolarHBondContact O-N 3.05Å
694	P	40.1	Very low	49	Very low	105 Å²	105	124.6 Å²	124.6	68%	0.682	62%	0.618	S	S	*	*			trans	-70.2	116.4	-176.2	27.1	-33.7	0	0	0	111.5	T692 R696	T692-P694 WeakPolarHBondContact O-CD 2.98Å; P694-R696 VanDerWaalsContact C-N 3.3Å; P694-R696 PolarHBondContact O-N 3.04Å
695	R	43	Very low	46.7	Very low	250 Å²	250	130 Å²	130	94%	0.943	65%	0.648	S	S	*	*			trans	-64.6	85.9	168.7	-79.6	-173.4	171.9	-171.3	-1.7	110.8	T693 S697	T693-R695 PolarHBondContact O-N 3.05Å; R695-S697 PolarHBondContact O-N 2.85Å
696	R	35.9	Very low	44.6	Very low	218 Å²	218	127.8 Å²	127.8	82%	0.823	65%	0.648	S	S	*	*			trans	-66	104.6	165	-97	-178.3	167.1	169.8	-3.1	109	P694 R698	P694-R696 VanDerWaalsContact C-N 3.3Å; P694-R696 PolarHBondContact O-N 3.04Å; R696-R698 PolarHBondContact O-N 2.6Å
697	S	35.9	Very low	42.6	Very low	116 Å²	116	133.8 Å²	133.8	81%	0.811	68%	0.678	S	S	*	*			trans	-67.6	77.9	165.4	55.1	0	0	0	0	109.7	R695 Q699	R695-S697 PolarHBondContact O-N 2.85Å; S697-Q699 PolarHBondContact O-N 2.77Å
698	R	37.7	Very low	40.8	Very low	205 Å²	205	138.2 Å²	138.2	77%	0.774	71%	0.705	S	S	*	*			trans	-76.3	95.8	179	-141	173.5	-174.5	174.2	-1.6	108.4	R696 T700	R696-R698 PolarHBondContact O-N 2.6Å; R698-T700 PolarHBondContact O-N 3.02Å
699	Q	35.1	Very low	39	Very low	193 Å²	193	144.3 Å²	144.3	90%	0.902	72%	0.721	S	S	*	*			trans	-62.2	91.1	159	-83.3	-178.1	-27.6	0	0	107.8	S697 Q701	S697-Q699 PolarHBondContact O-N 2.77Å; Q699-Q701 PolarHBondContact O-N 3.29Å
700	T	30.8	Very low	37.4	Very low	120 Å²	120	148.2 Å²	148.2	74%	0.736	75%	0.745	S	S	*	*			trans	-74.5	107.1	164.4	41.1	0	0	0	0	107.8	R698 S702	R698-T700 PolarHBondContact O-N 3.02Å; T700-S702 PolarHBondContact O-N 3.28Å
701	Q	30.2	Very low	36.1	Very low	185 Å²	185	151.6 Å²	151.6	86%	0.864	76%	0.763	S	S	*	*			trans	-55.6	125.2	165.1	-76	179.6	-18.9	0	0	108.3	Q699 L703	Q699-Q701 PolarHBondContact O-N 3.29Å; Q701-L703 PolarHBondContact O-N 2.94Å
702	S	26.6	Very low	34.6	Very low	100 Å²	100	153.2 Å²	153.2	70%	0.699	77%	0.772	S	S	*	*			trans	-65.7	114.5	176.7	-174.5	0	0	0	0	109	T700 Y704	T700-S702 PolarHBondContact O-N 3.28Å; S702-Y704 PolarHBondContact O-N 3.36Å
703	L	31.1	Very low	33.3	Very low	175 Å²	175	156.9 Å²	156.9	92%	0.916	78%	0.778	S	S	*	*			trans	-76.1	63.3	167.3	-73.2	174	0	0	0	109.8	Q701	Q701-L703 PolarHBondContact O-N 2.94Å
704	Y	25.7	Very low	32.3	Very low	198 Å²	198	167.3 Å²	167.3	78%	0.776	82%	0.819	S	S	*	*			trans	-104.9	102.4	164.7	-137.3	-92.5	0	0	0	106.7	S702 P706	S702-Y704 PolarHBondContact O-N 3.36Å; Y704-P706 WeakPolarHBondContact O-CD 3.33Å
705	I	32.2	Very low	32	Very low	152 Å²	152	170.4 Å²	170.4	78%	0.779	83%	0.826	S	S	*	*			trans	-73.3	113.5	169.6	-62.5	175.9	0	0	0	106.4	N707	I705-N707 PolarHBondContact O-N 3.16Å
706	P	29.1	Very low	31.4	Very low	94 Å²	94	166.2 Å²	166.2	61%	0.61	82%	0.82	S	S	*	*			trans	-71.9	123.2	177.6	-11.4	28.9	0	0	0	108.3	Y704 T708	Y704-P706 WeakPolarHBondContact O-CD 3.33Å; P706-T708 PolarHBondContact O-N 3.16Å
707	N	28.1	Very low	31.1	Very low	157 Å²	157	163.3 Å²	163.3	84%	0.84	82%	0.819	S	S	*	*			trans	-74.7	89.4	-179.3	-163.2	4.7	0	0	0	110.2	I705 R709	I705-N707 PolarHBondContact O-N 3.16Å; N707-R709 PolarHBondContact O-N 3.29Å
708	T	31.8	Very low	30.8	Very low	127 Å²	127	166.1 Å²	166.1	78%	0.779	82%	0.82	S	S	*	*			trans	-90	76.1	-178.9	43.7	0	0	0	0	112.1	P706	P706-T708 PolarHBondContact O-N 3.16Å
709	R	32.3	Very low	30.4	Very low	223 Å²	223	163.7 Å²	163.7	84%	0.842	82%	0.823	S	S	*	*			trans	-132.8	68.5	162.6	-81.2	-170.2	172	175.5	-1.8	111.7	N707	N707-R709 PolarHBondContact O-N 3.29Å
710	T	31	Very low	30.1	Very low	132 Å²	132	161.7 Å²	161.7	81%	0.81	82%	0.817	S	S	*	*			trans	-81.4	114.4	150.1	42.4	0	0	0	0	107.9	D712	T710-D712 PolarHBondContact O-N 3.4Å
711	L	33.2	Very low	30.1	Very low	142 Å²	142	164.7 Å²	164.7	74%	0.743	82%	0.823	S	S	*	*			trans	-75.7	104.3	173.7	-72.6	161.2	0	0	0	109.2	F713	L711-F713 HydrophobicContact CB-CD2 4.31Å; L711-F713 HydrophobicContact CD2-CE2 4.2Å; L711-F713 PolarHBondContact O-N 3.23Å
712	D	28.5	Very low	30.1	Very low	159 Å²	159	163.2 Å²	163.2	85%	0.85	82%	0.82	S	S	*	*			trans	-83.9	102.8	158.4	-81.4	-34.9	0	0	0	108.2	T710	T710-D712 PolarHBondContact O-N 3.4Å
713	F	32.7	Very low	30.3	Very low	186 Å²	186	168.4 Å²	168.4	82%	0.816	83%	0.83	S	S	*	*			trans	-87.8	132.6	164.1	-93	-79.4	0	0	0	109.9	L711	L711-F713 HydrophobicContact CB-CD2 4.31Å; L711-F713 HydrophobicContact CD2-CE2 4.2Å; L711-F713 PolarHBondContact O-N 3.23Å
714	K	28.5	Very low	30.3	Very low	276 Å²	276	167.8 Å²	167.8	100%	1.2	82%	0.822	S	S	*	*			trans	-130.9	0	163.6	-154.6	-175.5	-170.4	-176.9	0	108.4

Retrieved 714 of 714 residues in 3436.4 ms (Link to these results)

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