A0A087Y408_POEFO Loading...

Myotubularin related protein 14

AlphaFold DB , UniProt , Accession A0A087Y408, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 655 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	33.4	Very low	30	Very low	251 Å²	251	132 Å²	132	100%	1.236	87%	0.874	S	S	*	*				0	132.4	0	-72.1	168.3	169.6	0	0	107.9
2	M	28.3	Very low	30.1	Very low	197 Å²	197	136.3 Å²	136.3	97%	0.97	87%	0.868	S	S	*	*			trans	-122.5	130.5	167.7	-81.7	-82.3	-163.4	0	0	105.8
3	A	29.5	Very low	30.4	Very low	105 Å²	105	134.1 Å²	134.1	87%	0.868	85%	0.852	S	S	*	*			trans	-99.1	121.9	176.9	0	0	0	0	0	109.2
4	A	28.6	Very low	31.4	Very low	102 Å²	102	133.1 Å²	133.1	84%	0.843	84%	0.843	S	S	*	*			trans	-91.1	140.8	172.5	0	0	0	0	0	110.3
5	S	27.4	Very low	32.3	Very low	112 Å²	112	130.1 Å²	130.1	78%	0.783	83%	0.828	S	S	*	*			trans	-109.3	138.4	169.1	-64.6	0	0	0	0	109.4
6	P	35.5	Very low	32.8	Very low	128 Å²	128	124 Å²	124	83%	0.831	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-79.6	146.4	-172.7	31.5	-35.3	0	0	0	113
7	F	28	Very low	34.2	Very low	209 Å²	209	122.4 Å²	122.4	92%	0.917	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-71.6	130.6	165.1	-88.2	-102	0	0	0	110.4
8	A	29.1	Very low	35.5	Very low	101 Å²	101	120 Å²	120	84%	0.835	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-89.4	118.5	170.4	0	0	0	0	0	110.3	G10	A8-G10 PolarHBondContact O-N 3.41Å
9	A	34.1	Very low	36.8	Very low	108 Å²	108	117.5 Å²	117.5	89%	0.893	75%	0.75	S	S	*	*			trans	-79	102.1	176.1	0	0	0	0	0	110.8	G11	A9-G11 PolarHBondContact O-N 3.26Å
10	G	28.9	Very low	38.5	Very low	64 Å²	64	120.2 Å²	120.2	66%	0.66	75%	0.745	S	S	*	*			trans	-77.7	99.5	176.1	0	0	0	0	0	112.3	A8 F12	A8-G10 PolarHBondContact O-N 3.41Å; G10-F12 PolarHBondContact O-N 3.09Å
11	G	27.2	Very low	40.2	Very low	75 Å²	75	117.2 Å²	117.2	77%	0.773	72%	0.722	S	S	*	*			trans	-71.8	110.3	173.1	0	0	0	0	0	112	A9 T13	A9-G11 PolarHBondContact O-N 3.26Å; G11-T13 PolarHBondContact O-N 2.7Å
12	F	30.7	Very low	42.1	Very low	184 Å²	184	107.5 Å²	107.5	81%	0.807	68%	0.678	S	S	*	*			trans	-71.8	116	173.7	-78.3	-89.9	0	0	0	110.8	G10	G10-F12 PolarHBondContact O-N 3.09Å
13	T	34.7	Very low	44.6	Very low	107 Å²	107	103.1 Å²	103.1	66%	0.656	66%	0.656	S	S	*	*			trans	-78.8	121.4	175.3	50.9	0	0	0	0	110.5	G11 S15 G16	G11-T13 PolarHBondContact O-N 2.7Å; T13-S15 PolarHBondContact O-N 3.16Å; T13-S15 VanDerWaalsContact O-N 3.09Å; T13-G16 PolarHBondContact O-N 3.04Å
14	V	44.6	Very low	47.6	Very low	121 Å²	121	102.2 Å²	102.2	73%	0.733	63%	0.633	S	S	*	*	H	α-helix	trans	-53.7	-34.8	-176.3	179.4	0	0	0	0	112.6	G16 L17 S18	V14-G16 PolarHBondContact O-N 2.66Å; V14-L17 PolarHBondContact O-N 3.4Å; V14-S18 PolarHBondContact O-N 3.22Å
15	S	45.2	Very low	50.9	Low	87 Å²	87	97.3 Å²	97.3	61%	0.608	59%	0.593	S	S	*	*	H	α-helix	trans	-55.8	-43.8	175.7	-172.9	0	0	0	0	113.2	T13 L17 S18 V19	T13-S15 PolarHBondContact O-N 3.16Å; T13-S15 VanDerWaalsContact O-N 3.09Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 2.89Å; S15-S18 WeakPolarHBondContact O-CB 3.3Å; S15-S18 PolarHBondContact O-N 2.79Å; S15-S18 VanDerWaalsContact O-N 3.15Å; S15-V19 WeakPolarHBondContact O-CG2 3.43Å; S15-V19 PolarHBondContact O-N 2.92Å
16	G	39.8	Very low	54.2	Low	33 Å²	33	93 Å²	93	34%	0.34	56%	0.564	S	S	.	*	H	α-helix	trans	-68.4	-25.5	-178.8	0	0	0	0	0	114.2	T13 V14 R20	T13-G16 PolarHBondContact O-N 3.04Å; V14-G16 PolarHBondContact O-N 2.66Å; G16-R20 WeakPolarHBondContact O-CG 3.14Å; G16-R20 PolarHBondContact O-N 3.11Å
17	L	57	Low	57.1	Low	96 Å²	96	91.1 Å²	91.1	50%	0.503	55%	0.547	S	S	.	.	H	α-helix	trans	-76	-37.1	172	-80.3	160.1	0	0	0	111.8	V14 S15 K21	V14-L17 PolarHBondContact O-N 3.4Å; S15-L17 VanDerWaalsContact C-N 3.29Å; S15-L17 PolarHBondContact O-N 2.89Å; L17-K21 PolarHBondContact O-N 2.89Å
18	S	57.3	Low	60.4	Low	80 Å²	80	81.3 Å²	81.3	56%	0.559	50%	0.504	S	S	*	.	H	α-helix	trans	-64.8	-46.8	176.3	-168.8	0	0	0	0	111.8	V14 S15 R20 K21 S22	V14-S18 PolarHBondContact O-N 3.22Å; S15-S18 WeakPolarHBondContact O-CB 3.3Å; S15-S18 PolarHBondContact O-N 2.79Å; S15-S18 VanDerWaalsContact O-N 3.15Å; S18-R20 PolarHBondContact O-N 3.36Å; S18-K21 PolarHBondContact O-N 2.75Å; S18-K21 VanDerWaalsContact O-N 3.16Å; S18-S22 PolarHBondContact O-N 3.5Å
19	V	60.8	Low	63.7	Low	73 Å²	73	76.5 Å²	76.5	44%	0.442	46%	0.464	S	S	.	.	H	α-helix	trans	-56	-50	176	173.6	0	0	0	0	111	S15 K21 S22 E23	S15-V19 WeakPolarHBondContact O-CG2 3.43Å; S15-V19 PolarHBondContact O-N 2.92Å; V19-K21 VanDerWaalsContact C-N 3.33Å; V19-K21 PolarHBondContact O-N 3.25Å; V19-S22 WeakPolarHBondContact O-CA 3.49Å; V19-S22 WeakPolarHBondContact O-CB 3.48Å; V19-S22 PolarHBondContact O-N 2.89Å; V19-E23 HydrophobicContact CG1-CG 4.4Å; V19-E23 WeakPolarHBondContact O-CG 3.3Å; V19-E23 PolarHBondContact O-N 3.04Å
20	R	69.2	Low	66.7	Low	170 Å²	170	73.2 Å²	73.2	64%	0.642	43%	0.431	S	S	*	.	H	α-helix	trans	-61.8	-34.2	177.3	-74.7	179.9	175.5	-170	-0.2	114.4	G16 S18 E23 Q24	G16-R20 WeakPolarHBondContact O-CG 3.14Å; G16-R20 PolarHBondContact O-N 3.11Å; S18-R20 PolarHBondContact O-N 3.36Å; R20-E23 WeakPolarHBondContact CA-OE2 3.06Å; R20-Q24 WeakPolarHBondContact O-CG 3.45Å; R20-Q24 PolarHBondContact O-N 3.33Å
21	K	74.7	Confident	70	Confident	59 Å²	59	71.1 Å²	71.1	26%	0.257	41%	0.405	S	S	.	.	H	α-helix	trans	-67.1	-37.2	172.7	-78.6	-175.1	173.5	-172.5	0	111.4	L17 S18 V19 I25 A353 E354	L17-K21 PolarHBondContact O-N 2.89Å; S18-K21 PolarHBondContact O-N 2.75Å; S18-K21 VanDerWaalsContact O-N 3.16Å; V19-K21 VanDerWaalsContact C-N 3.33Å; V19-K21 PolarHBondContact O-N 3.25Å; K21-I25 PolarHBondContact O-N 3.17Å; K21-A353 HydrophobicContact CB-CB 4Å; K21-A353 HydrophobicContact CD-CB 4.26Å; K21-E354 HydrophobicContact CD-CG 4.38Å; K21-E354 WeakPolarHBondContact CE-OE1 3.5Å; K21-E354 IonicContact NZ-OE1 3.94Å; K21-E354 PolarHBondContact NZ-OE1 3.26Å; K21-E354 IonicContact NZ-OE2 3.36Å; K21-E354 PolarHBondContact NZ-OE2 3.05Å
22	S	72.8	Confident	73.3	Confident	46 Å²	46	67.6 Å²	67.6	32%	0.322	37%	0.368	S	S	.	.	H	α-helix	trans	-69.5	-42.7	176.7	-164.2	0	0	0	0	112.6	S18 V19 Q24 I25 A26	S18-S22 PolarHBondContact O-N 3.5Å; V19-S22 WeakPolarHBondContact O-CA 3.49Å; V19-S22 WeakPolarHBondContact O-CB 3.48Å; V19-S22 PolarHBondContact O-N 2.89Å; S22-Q24 VanDerWaalsContact C-N 3.29Å; S22-Q24 PolarHBondContact O-N 2.95Å; S22-I25 PolarHBondContact O-N 3.34Å; S22-A26 PolarHBondContact O-N 3.21Å; S22-A26 VanDerWaalsContact O-N 3.13Å
23	E	81.6	Confident	76.5	Confident	106 Å²	106	59.8 Å²	59.8	50%	0.495	34%	0.337	S	S	.	.	H	α-helix	trans	-54.2	-44.3	173.7	-71	167.1	166.8	0	0	111.4	V19 R20 I25 A26 D27	V19-E23 HydrophobicContact CG1-CG 4.4Å; V19-E23 WeakPolarHBondContact O-CG 3.3Å; V19-E23 PolarHBondContact O-N 3.04Å; R20-E23 WeakPolarHBondContact CA-OE2 3.06Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-I25 PolarHBondContact O-N 3.44Å; E23-A26 PolarHBondContact O-N 2.75Å; E23-D27 WeakPolarHBondContact O-CB 3.36Å; E23-D27 PolarHBondContact O-N 3.44Å
24	Q	92.8	Very high	79.4	Confident	85 Å²	85	61 Å²	61	40%	0.397	33%	0.333	S	S	.	.	H	α-helix	trans	-63.2	-28.5	177.5	-72.3	172.5	16	0	0	114.2	R20 S22 L28 Y357	R20-Q24 WeakPolarHBondContact O-CG 3.45Å; R20-Q24 PolarHBondContact O-N 3.33Å; S22-Q24 VanDerWaalsContact C-N 3.29Å; S22-Q24 PolarHBondContact O-N 2.95Å; Q24-L28 WeakPolarHBondContact O-CB 3.5Å; Q24-L28 PolarHBondContact O-N 3.1Å; Q24-L28 VanDerWaalsContact O-N 3.16Å; Q24-Y357 HydrophobicContact CB-CD2 4.44Å; Q24-Y357 HydrophobicContact CB-CE2 4.3Å
25	I	97.2	Very high	81.8	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.314	C	S	.	.	H	α-helix	trans	-74.7	-44.6	174.1	-59.9	-65.3	0	0	0	110.4	K21 S22 E23 D27 L28 I29 A353 L356 Y357 I360 I613 A617	K21-I25 PolarHBondContact O-N 3.17Å; S22-I25 PolarHBondContact O-N 3.34Å; E23-I25 VanDerWaalsContact C-N 3.29Å; E23-I25 PolarHBondContact O-N 3.44Å; I25-D27 PolarHBondContact O-N 2.96Å; I25-L28 PolarHBondContact O-N 3.15Å; I25-I29 HydrophobicContact CG2-CD1 3.83Å; I25-I29 HydrophobicContact CG2-CG1 4.42Å; I25-I29 WeakPolarHBondContact O-CG1 3.45Å; I25-I29 PolarHBondContact O-N 3.26Å; I25-A353 WeakPolarHBondContact CD1-O 3.17Å; I25-L356 HydrophobicContact CD1-CB 4.31Å; I25-L356 HydrophobicContact CD1-CD2 4.19Å; I25-L356 HydrophobicContact CD1-CG 4.08Å; I25-L356 HydrophobicContact CG1-CD2 4.3Å; I25-L356 HydrophobicContact CG2-CD2 3.96Å; I25-L356 HydrophobicContact CG2-CG 4.47Å; I25-Y357 HydrophobicContact CD1-CD2 4.01Å; I25-Y357 HydrophobicContact CD1-CG 4.33Å; I25-I360 HydrophobicContact CG2-CD1 4.12Å; I25-I613 HydrophobicContact CG1-CG2 4.24Å; I25-A617 HydrophobicContact CB-CB 4.11Å; I25-A617 HydrophobicContact CG2-CB 3.57Å
26	A	96.6	Very high	84.2	Confident	20 Å²	20	55.8 Å²	55.8	17%	0.165	30%	0.295	C	S	.	.	H	α-helix	trans	-59.7	-46.7	175.4	0	0	0	0	0	110.9	S22 E23 L28 I29 D30 A617 T621	S22-A26 PolarHBondContact O-N 3.21Å; S22-A26 VanDerWaalsContact O-N 3.13Å; E23-A26 PolarHBondContact O-N 2.75Å; A26-L28 VanDerWaalsContact C-N 3.29Å; A26-L28 PolarHBondContact O-N 3.18Å; A26-I29 PolarHBondContact O-N 3.31Å; A26-D30 VanDerWaalsContact O-CB 3.31Å; A26-D30 WeakPolarHBondContact O-CB 3.19Å; A26-D30 PolarHBondContact O-N 2.81Å; A26-A617 HydrophobicContact CB-CB 4.28Å; A26-T621 HydrophobicContact CB-CG2 3.84Å
27	D	96.6	Very high	86.8	Confident	89 Å²	89	54.4 Å²	54.4	48%	0.476	28%	0.279	S	S	.	.	H	α-helix	trans	-60.1	-34.7	175.5	-99.2	-36.8	0	0	0	113.6	E23 I25 L31 R45	E23-D27 WeakPolarHBondContact O-CB 3.36Å; E23-D27 PolarHBondContact O-N 3.44Å; I25-D27 PolarHBondContact O-N 2.96Å; D27-L31 WeakPolarHBondContact O-CB 3.39Å; D27-L31 PolarHBondContact O-N 3.08Å; D27-R45 PolarHBondContact O-NH2 2.92Å; D27-R45 IonicContact OD1-CZ 3.58Å; D27-R45 IonicContact OD1-NH2 2.8Å; D27-R45 PolarHBondContact OD1-NH2 2.74Å
28	L	98.2	Very high	88.6	Confident	3 Å²	3	53 Å²	53	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-71.9	-44.8	177	177.1	62.1	0	0	0	111.4	Q24 I25 A26 F32 I49 Y357 I360 A361 F365	Q24-L28 WeakPolarHBondContact O-CB 3.5Å; Q24-L28 PolarHBondContact O-N 3.1Å; Q24-L28 VanDerWaalsContact O-N 3.16Å; I25-L28 PolarHBondContact O-N 3.15Å; A26-L28 VanDerWaalsContact C-N 3.29Å; A26-L28 PolarHBondContact O-N 3.18Å; L28-F32 VanDerWaalsContact O-CB 3.27Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 3.38Å; L28-I49 HydrophobicContact CD1-CD1 3.84Å; L28-I49 HydrophobicContact CD1-CG1 4.21Å; L28-I49 HydrophobicContact CD1-CG2 4.14Å; L28-Y357 HydrophobicContact CB-CE2 4.35Å; L28-Y357 HydrophobicContact CD2-CD1 4.46Å; L28-Y357 HydrophobicContact CD2-CD2 3.89Å; L28-Y357 HydrophobicContact CD2-CE2 3.96Å; L28-Y357 HydrophobicContact CD2-CG 4.16Å; L28-I360 HydrophobicContact CD2-CB 3.78Å; L28-I360 HydrophobicContact CD2-CG2 3.69Å; L28-I360 HydrophobicContact CG-CB 4.47Å; L28-I360 HydrophobicContact CG-CG2 3.82Å; L28-A361 HydrophobicContact CD1-CB 4.23Å; L28-A361 HydrophobicContact CD2-CB 3.88Å; L28-F365 HydrophobicContact CD1-CD1 4.46Å
29	I	98.3	Very high	90.3	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-65.6	-42.5	177.5	-66.3	171.8	0	0	0	110.6	I25 A26 L31 F32 S33 I360 F614 A617 Y618 T621 V622	I25-I29 HydrophobicContact CG2-CD1 3.83Å; I25-I29 HydrophobicContact CG2-CG1 4.42Å; I25-I29 WeakPolarHBondContact O-CG1 3.45Å; I25-I29 PolarHBondContact O-N 3.26Å; A26-I29 PolarHBondContact O-N 3.31Å; I29-L31 PolarHBondContact O-N 2.99Å; I29-F32 PolarHBondContact O-N 3.15Å; I29-S33 WeakPolarHBondContact O-CB 3.47Å; I29-S33 PolarHBondContact O-N 3.09Å; I29-I360 HydrophobicContact CD1-CD1 4.1Å; I29-I360 HydrophobicContact CG1-CD1 4.04Å; I29-F614 HydrophobicContact CD1-CD2 4.08Å; I29-F614 HydrophobicContact CD1-CE2 4.05Å; I29-A617 HydrophobicContact CD1-CB 3.98Å; I29-Y618 HydrophobicContact CG2-CD2 3.87Å; I29-Y618 HydrophobicContact CG2-CE2 4.45Å; I29-T621 WeakPolarHBondContact CG2-OG1 3.47Å; I29-V622 HydrophobicContact CG2-CG2 3.83Å
30	D	97.3	Very high	91.7	Very high	39 Å²	39	53.5 Å²	53.5	21%	0.209	25%	0.254	C	S	.	.	H	α-helix	trans	-58.5	-49.8	177.9	-176.6	83.6	0	0	0	111.7	A26 F32 S33 K34 T621	A26-D30 VanDerWaalsContact O-CB 3.31Å; A26-D30 WeakPolarHBondContact O-CB 3.19Å; A26-D30 PolarHBondContact O-N 2.81Å; D30-F32 PolarHBondContact O-N 3.33Å; D30-S33 PolarHBondContact O-N 3.18Å; D30-S33 PolarHBondContact O-OG 3.29Å; D30-K34 WeakPolarHBondContact O-CG 3.38Å; D30-K34 PolarHBondContact O-N 3.12Å; D30-K34 VanDerWaalsContact OD1-CE 3.29Å; D30-K34 WeakPolarHBondContact OD1-CE 3.45Å; D30-K34 IonicContact OD1-NZ 2.8Å; D30-K34 PolarHBondContact OD1-NZ 2.67Å; D30-K34 WeakPolarHBondContact OD2-CE 3.3Å; D30-K34 IonicContact OD2-NZ 2.92Å; D30-K34 PolarHBondContact OD2-NZ 2.96Å; D30-T621 HydrophobicContact CB-CG2 4.22Å
31	L	97.1	Very high	92.6	Very high	21 Å²	21	52.1 Å²	52.1	11%	0.11	26%	0.255	C	S	.	.	H	α-helix	trans	-59.4	-47.1	175.9	179.3	66.9	0	0	0	111.5	D27 I29 S33 K34 T35 R45 V46 I49 F365	D27-L31 WeakPolarHBondContact O-CB 3.39Å; D27-L31 PolarHBondContact O-N 3.08Å; I29-L31 PolarHBondContact O-N 2.99Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.23Å; L31-K34 PolarHBondContact O-N 3.03Å; L31-T35 HydrophobicContact CD1-CG2 4.08Å; L31-T35 WeakPolarHBondContact CD1-OG1 3.41Å; L31-T35 PolarHBondContact O-N 3.43Å; L31-T35 PolarHBondContact O-OG1 3.38Å; L31-R45 HydrophobicContact CD2-CG 4.02Å; L31-V46 HydrophobicContact CD2-CG2 4.3Å; L31-I49 HydrophobicContact CD2-CD1 3.5Å; L31-I49 VanDerWaalsContact CD2-CD1 3.5Å; L31-F365 HydrophobicContact CD2-CE1 4.18Å; L31-F365 HydrophobicContact CD2-CZ 3.83Å; L31-F365 HydrophobicContact CG-CZ 4.23Å
32	F	97.9	Very high	93.1	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-68.4	-32.4	-176.6	-178.4	-156.3	0	0	0	112.4	L28 I29 D30 K34 I360 W364 F365 H369 L371 F382	L28-F32 VanDerWaalsContact O-CB 3.27Å; L28-F32 WeakPolarHBondContact O-CB 3.41Å; L28-F32 PolarHBondContact O-N 3.38Å; I29-F32 PolarHBondContact O-N 3.15Å; D30-F32 PolarHBondContact O-N 3.33Å; F32-K34 PolarHBondContact O-N 3.05Å; F32-I360 HydrophobicContact CD1-CG2 4.08Å; F32-W364 HydrophobicContact CE1-CB 3.56Å; F32-W364 HydrophobicContact CE1-CG 4.45Å; F32-W364 HydrophobicContact CZ-CB 3.65Å; F32-F365 HydrophobicContact CB-CD2 3.97Å; F32-F365 HydrophobicContact CB-CG 4.48Å; F32-F365 HydrophobicContact CD1-CB 4.31Å; F32-F365 HydrophobicContact CD2-CB 4.15Å; F32-F365 AromaticContact CD2-CD2 3.58Å; F32-F365 HydrophobicContact CD2-CD2 3.58Å; F32-F365 HydrophobicContact CD2-CE2 4.49Å; F32-F365 HydrophobicContact CD2-CG 4.33Å; F32-F365 HydrophobicContact CE2-CB 4.43Å; F32-F365 HydrophobicContact CE2-CD2 4.33Å; F32-F365 HydrophobicContact CG-CB 4.1Å; F32-F365 AromaticContact CG-CD2 3.93Å; F32-F365 HydrophobicContact CG-CD2 3.93Å; F32-F365 HydrophobicContact CG-CG 4.4Å; F32-H369 HydrophobicContact CE2-CB 3.99Å; F32-H369 AromaticContact CE2-ND1 3.84Å; F32-H369 HydrophobicContact CZ-CB 3.81Å; F32-H369 AromaticContact CZ-CG 3.94Å; F32-H369 AromaticContact CZ-ND1 3.42Å; F32-H369 WeakPolarHBondContact CZ-ND1 3.43Å; F32-L371 HydrophobicContact CB-CD2 4.31Å; F32-L371 HydrophobicContact CD1-CB 4.48Å; F32-L371 HydrophobicContact CD1-CD2 3.53Å; F32-L371 HydrophobicContact CD2-CB 3.73Å; F32-L371 HydrophobicContact CD2-CD2 4.06Å; F32-L371 HydrophobicContact CE1-CB 4.18Å; F32-L371 HydrophobicContact CE1-CD2 3.72Å; F32-L371 HydrophobicContact CE2-CB 3.38Å; F32-L371 HydrophobicContact CE2-CD2 4.24Å; F32-L371 HydrophobicContact CE2-CG 4.44Å; F32-L371 HydrophobicContact CG-CB 4.26Å; F32-L371 HydrophobicContact CG-CD2 3.7Å; F32-L371 HydrophobicContact CZ-CB 3.62Å; F32-L371 HydrophobicContact CZ-CD2 4.06Å; F32-L371 HydrophobicContact CZ-CG 4.41Å; F32-F382 HydrophobicContact CD1-CE2 4.22Å; F32-F382 HydrophobicContact CD1-CZ 4.04Å; F32-F382 AromaticContact CE1-CD2 3.97Å; F32-F382 HydrophobicContact CE1-CD2 3.97Å; F32-F382 HydrophobicContact CE1-CE1 4.46Å; F32-F382 AromaticContact CE1-CE2 3.62Å; F32-F382 HydrophobicContact CE1-CE2 3.62Å; F32-F382 AromaticContact CE1-CZ 3.9Å; F32-F382 HydrophobicContact CE1-CZ 3.9Å
33	S	97.3	Very high	94	Very high	20 Å²	20	51.1 Å²	51.1	14%	0.14	25%	0.254	C	S	.	.	H	α-helix	trans	-65.7	-22.7	174.8	76.3	0	0	0	0	113.4	I29 D30 L31 P372	I29-S33 WeakPolarHBondContact O-CB 3.47Å; I29-S33 PolarHBondContact O-N 3.09Å; D30-S33 PolarHBondContact O-N 3.18Å; D30-S33 PolarHBondContact O-OG 3.29Å; L31-S33 VanDerWaalsContact C-N 3.34Å; L31-S33 PolarHBondContact O-N 3.23Å; S33-P372 WeakPolarHBondContact O-CG 3.21Å
34	K	96.1	Very high	94.6	Very high	132 Å²	132	51 Å²	51	57%	0.574	26%	0.262	S	S	*	.	H	α-helix	trans	-108	-23.5	-175.6	-65.1	167.5	-167	170.2	0	113.9	D30 L31 F32	D30-K34 WeakPolarHBondContact O-CG 3.38Å; D30-K34 PolarHBondContact O-N 3.12Å; D30-K34 VanDerWaalsContact OD1-CE 3.29Å; D30-K34 WeakPolarHBondContact OD1-CE 3.45Å; D30-K34 IonicContact OD1-NZ 2.8Å; D30-K34 PolarHBondContact OD1-NZ 2.67Å; D30-K34 WeakPolarHBondContact OD2-CE 3.3Å; D30-K34 IonicContact OD2-NZ 2.92Å; D30-K34 PolarHBondContact OD2-NZ 2.96Å; L31-K34 PolarHBondContact O-N 3.03Å; F32-K34 PolarHBondContact O-N 3.05Å
35	T	94.7	Very high	94.6	Very high	55 Å²	55	51.9 Å²	51.9	34%	0.337	26%	0.262	S	S	.	.			trans	-134.8	141.6	-170.7	66.3	0	0	0	0	112.5	L31	L31-T35 HydrophobicContact CD1-CG2 4.08Å; L31-T35 WeakPolarHBondContact CD1-OG1 3.41Å; L31-T35 PolarHBondContact O-N 3.43Å; L31-T35 PolarHBondContact O-OG1 3.38Å
36	Q	94.5	Very high	94.5	Very high	44 Å²	44	52.4 Å²	52.4	21%	0.206	27%	0.265	C	S	.	.			trans	-98.4	131	168.6	-171	-168.8	20.6	0	0	109.6	R38 G368 H369 M370	Q36-R38 VanDerWaalsContact NE2-NH1 3.19Å; Q36-R38 VanDerWaalsContact OE1-CZ 3.23Å; Q36-G368 PolarHBondContact NE2-O 3.31Å; Q36-H369 WeakPolarHBondContact CG-O 3.06Å; Q36-M370 HydrophobicContact CB-SD 4.27Å; Q36-M370 HydrophobicContact CG-SD 3.95Å; Q36-M370 PolarHBondContact NE2-SD 2.68Å; Q36-M370 PolarHBondContact OE1-SD 3.16Å
37	Y	96.1	Very high	94.4	Very high	5 Å²	5	55.7 Å²	55.7	2%	0.02	28%	0.277	C	S	.	.			trans	-60	142	175	178	-85.8	0	0	0	113.3	A39 V42 V46 E50 Y77 P78 R79 F365 L366	Y37-A39 HydrophobicContact CE1-CB 3.99Å; Y37-V42 HydrophobicContact CE2-CG2 4.04Å; Y37-V46 HydrophobicContact CD2-CG1 3.61Å; Y37-V46 HydrophobicContact CE2-CG1 3.48Å; Y37-V46 VanDerWaalsContact CE2-CG1 3.48Å; Y37-E50 PolarHBondContact OH-OE1 3.35Å; Y37-Y77 WeakPolarHBondContact CE1-O 3.48Å; Y37-P78 WeakPolarHBondContact OH-CA 3.35Å; Y37-R79 PolarHBondContact OH-N 3.5Å; Y37-F365 WeakPolarHBondContact CB-O 3.48Å; Y37-F365 HydrophobicContact CD2-CE1 4.33Å; Y37-L366 WeakPolarHBondContact CD1-O 3.43Å; Y37-L366 HydrophobicContact CD2-CD2 3.53Å; Y37-L366 WeakPolarHBondContact CE1-O 3.29Å; Y37-L366 HydrophobicContact CE2-CD2 3.46Å; Y37-L366 VanDerWaalsContact CE2-CD2 3.46Å; Y37-L366 HydrophobicContact CG-CD2 4.44Å
38	R	93.8	Very high	94.3	Very high	67 Å²	67	54.1 Å²	54.1	25%	0.253	28%	0.277	S	S	.	.			trans	-142.3	126	171.7	-76.6	-70.8	179	-76.2	-9	109.2	Q36 K40 E41 V42 H76	Q36-R38 VanDerWaalsContact NE2-NH1 3.19Å; Q36-R38 VanDerWaalsContact OE1-CZ 3.23Å; R38-K40 PolarHBondContact O-N 3.49Å; R38-E41 HydrophobicContact CB-CB 3.98Å; R38-E41 HydrophobicContact CB-CG 4.26Å; R38-E41 WeakPolarHBondContact CG-OE1 3.39Å; R38-E41 PolarHBondContact O-N 3Å; R38-V42 VanDerWaalsContact O-CG2 3.31Å; R38-V42 WeakPolarHBondContact O-CG2 3.24Å; R38-H76 PolarHBondContact NH1-ND1 2.66Å; R38-H76 VanDerWaalsContact NH1-ND1 3.11Å
39	A	93.3	Very high	94.3	Very high	3 Å²	3	54.3 Å²	54.3	3%	0.025	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.6	-9.8	179.5	0	0	0	0	0	114.3	Y37 G75 R79	Y37-A39 HydrophobicContact CE1-CB 3.99Å; A39-G75 PolarHBondContact N-O 3.31Å; A39-G75 VanDerWaalsContact N-O 3.17Å; A39-R79 HydrophobicContact CB-CG 4.09Å
40	K	90.7	Very high	94.2	Very high	159 Å²	159	54.8 Å²	54.8	69%	0.691	28%	0.28	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.2	-22	173.1	-72.4	-170.9	173.6	-169.6	0	114.5	R38 S70	R38-K40 PolarHBondContact O-N 3.49Å; K40-S70 VanDerWaalsContact CE-O 3.27Å; K40-S70 WeakPolarHBondContact CE-O 3.35Å; K40-S70 WeakPolarHBondContact CG-O 3.23Å
41	E	86.9	Confident	94.2	Very high	141 Å²	141	59 Å²	59	66%	0.659	30%	0.296	S	S	*	.	S	Bend	trans	-120.2	41.5	-167.8	-61.5	143.8	-124.1	0	0	109.9	R38 S43	R38-E41 HydrophobicContact CB-CB 3.98Å; R38-E41 HydrophobicContact CB-CG 4.26Å; R38-E41 WeakPolarHBondContact CG-OE1 3.39Å; R38-E41 PolarHBondContact O-N 3Å; E41-S43 PolarHBondContact O-N 3.16Å
42	V	85.3	Confident	94.2	Very high	34 Å²	34	60.1 Å²	60.1	21%	0.206	30%	0.299	C	S	.	.			trans	-81.2	117.8	-173.1	172.2	0	0	0	0	110.3	Y37 R38 V46 E47 R79	Y37-V42 HydrophobicContact CE2-CG2 4.04Å; R38-V42 VanDerWaalsContact O-CG2 3.31Å; R38-V42 WeakPolarHBondContact O-CG2 3.24Å; V42-V46 HydrophobicContact CG1-CB 4Å; V42-V46 HydrophobicContact CG1-CG1 3.88Å; V42-V46 HydrophobicContact CG2-CG1 4.28Å; V42-E47 HydrophobicContact CG1-CG 3.44Å; V42-E47 VanDerWaalsContact CG1-CG 3.44Å; V42-R79 HydrophobicContact CG2-CG 4.37Å
43	S	91.9	Very high	94.2	Very high	50 Å²	50	60.2 Å²	60.2	35%	0.35	30%	0.299	S	S	.	.			trans	-90.9	163.1	175	70.6	0	0	0	0	111.6	E41 R45 V46 E47	E41-S43 PolarHBondContact O-N 3.16Å; S43-R45 PolarHBondContact O-N 3.42Å; S43-R45 VanDerWaalsContact O-N 3.11Å; S43-V46 CarbonylContact O-C 3.6Å; S43-V46 WeakPolarHBondContact O-CA 3.26Å; S43-V46 WeakPolarHBondContact O-CB 3.47Å; S43-V46 PolarHBondContact O-N 3.45Å; S43-E47 PolarHBondContact O-N 3.21Å
44	P	94.1	Very high	94.2	Very high	104 Å²	104	60.3 Å²	60.3	68%	0.675	30%	0.299	S	S	*	.	H	α-helix	trans	-57	-29.1	179	-28.1	36.3	0	0	0	114.5	V46 E47 A48	P44-V46 VanDerWaalsContact C-N 3.32Å; P44-E47 PolarHBondContact O-N 3.44Å; P44-A48 WeakPolarHBondContact O-CB 3.34Å; P44-A48 PolarHBondContact O-N 2.92Å
45	R	93.6	Very high	94.3	Very high	104 Å²	104	57.5 Å²	57.5	39%	0.392	29%	0.287	S	S	.	.	H	α-helix	trans	-66.5	-34.9	173	-171.9	176.9	177.7	150.8	4.3	111.5	D27 L31 S43 I49	D27-R45 PolarHBondContact O-NH2 2.92Å; D27-R45 IonicContact OD1-CZ 3.58Å; D27-R45 IonicContact OD1-NH2 2.8Å; D27-R45 PolarHBondContact OD1-NH2 2.74Å; L31-R45 HydrophobicContact CD2-CG 4.02Å; S43-R45 PolarHBondContact O-N 3.42Å; S43-R45 VanDerWaalsContact O-N 3.11Å; R45-I49 WeakPolarHBondContact O-CD1 3.49Å; R45-I49 VanDerWaalsContact O-CG1 3.26Å; R45-I49 WeakPolarHBondContact O-CG1 3.46Å; R45-I49 PolarHBondContact O-N 3.03Å
46	V	94.4	Very high	94.4	Very high	10 Å²	10	54.9 Å²	54.9	6%	0.061	27%	0.271	C	S	.	.	H	α-helix	trans	-77.3	-37.5	175.7	178.2	0	0	0	0	111.3	L31 Y37 V42 S43 P44 A48 I49 E50 F365 L366	L31-V46 HydrophobicContact CD2-CG2 4.3Å; Y37-V46 HydrophobicContact CD2-CG1 3.61Å; Y37-V46 HydrophobicContact CE2-CG1 3.48Å; Y37-V46 VanDerWaalsContact CE2-CG1 3.48Å; V42-V46 HydrophobicContact CG1-CB 4Å; V42-V46 HydrophobicContact CG1-CG1 3.88Å; V42-V46 HydrophobicContact CG2-CG1 4.28Å; S43-V46 CarbonylContact O-C 3.6Å; S43-V46 WeakPolarHBondContact O-CA 3.26Å; S43-V46 WeakPolarHBondContact O-CB 3.47Å; S43-V46 PolarHBondContact O-N 3.45Å; P44-V46 VanDerWaalsContact C-N 3.32Å; V46-A48 VanDerWaalsContact C-N 3.28Å; V46-A48 PolarHBondContact O-N 3.11Å; V46-I49 PolarHBondContact O-N 3.35Å; V46-I49 VanDerWaalsContact O-N 3.1Å; V46-E50 PolarHBondContact O-N 3.4Å; V46-F365 HydrophobicContact CG1-CE1 4.29Å; V46-F365 HydrophobicContact CG2-CE1 4.06Å; V46-F365 HydrophobicContact CG2-CZ 3.92Å; V46-L366 HydrophobicContact CG1-CD2 4.13Å
47	E	94.3	Very high	94.6	Very high	89 Å²	89	52.9 Å²	52.9	42%	0.416	26%	0.262	S	S	.	.	H	α-helix	trans	-61.8	-37.3	171.8	-60.3	-164.8	129.3	0	0	111.9	V42 S43 P44 E50 K51 R79	V42-E47 HydrophobicContact CG1-CG 3.44Å; V42-E47 VanDerWaalsContact CG1-CG 3.44Å; S43-E47 PolarHBondContact O-N 3.21Å; P44-E47 PolarHBondContact O-N 3.44Å; E47-E50 PolarHBondContact O-N 2.78Å; E47-K51 WeakPolarHBondContact O-CB 3.31Å; E47-K51 PolarHBondContact O-N 2.92Å; E47-R79 IonicContact OE1-CZ 2.74Å; E47-R79 IonicContact OE1-NH1 2.77Å; E47-R79 PolarHBondContact OE1-NH1 3.31Å; E47-R79 IonicContact OE1-NH2 3.4Å
48	A	96	Very high	94.6	Very high	57 Å²	57	55.8 Å²	55.8	47%	0.471	28%	0.278	S	S	.	.	H	α-helix	trans	-63.7	-38	172.1	0	0	0	0	0	112.5	P44 V46 R52	P44-A48 WeakPolarHBondContact O-CB 3.34Å; P44-A48 PolarHBondContact O-N 2.92Å; V46-A48 VanDerWaalsContact C-N 3.28Å; V46-A48 PolarHBondContact O-N 3.11Å; A48-R52 WeakPolarHBondContact O-CB 3.5Å; A48-R52 PolarHBondContact O-N 2.88Å
49	I	97.4	Very high	94.6	Very high	7 Å²	7	56.7 Å²	56.7	4%	0.036	28%	0.281	C	S	.	.	H	α-helix	trans	-69	-44.1	175.3	-65.9	160.2	0	0	0	111.2	L28 L31 R45 V46 R52 C53 Y357 A361 F365 L366	L28-I49 HydrophobicContact CD1-CD1 3.84Å; L28-I49 HydrophobicContact CD1-CG1 4.21Å; L28-I49 HydrophobicContact CD1-CG2 4.14Å; L31-I49 HydrophobicContact CD2-CD1 3.5Å; L31-I49 VanDerWaalsContact CD2-CD1 3.5Å; R45-I49 WeakPolarHBondContact O-CD1 3.49Å; R45-I49 VanDerWaalsContact O-CG1 3.26Å; R45-I49 WeakPolarHBondContact O-CG1 3.46Å; R45-I49 PolarHBondContact O-N 3.03Å; V46-I49 PolarHBondContact O-N 3.35Å; V46-I49 VanDerWaalsContact O-N 3.1Å; I49-R52 PolarHBondContact O-N 3.06Å; I49-C53 PolarHBondContact O-N 2.92Å; I49-C53 PolarHBondContact O-SG 3.32Å; I49-Y357 WeakPolarHBondContact CG1-OH 3.45Å; I49-A361 HydrophobicContact CG2-CB 3.66Å; I49-F365 HydrophobicContact CD1-CD1 4.37Å; I49-F365 HydrophobicContact CD1-CE1 3.9Å; I49-F365 HydrophobicContact CG2-CD1 4.29Å; I49-L366 HydrophobicContact CG2-CD1 4.27Å; I49-L366 HydrophobicContact CG2-CD2 4.25Å; I49-L366 HydrophobicContact CG2-CG 4.32Å
50	E	95.5	Very high	94.7	Very high	9 Å²	9	56.7 Å²	56.7	4%	0.042	28%	0.281	C	S	.	.	H	α-helix	trans	-58.7	-52	174.3	-72.7	-173.4	148.9	0	0	110.3	Y37 V46 E47 R52 C53 L54 R79 L366	Y37-E50 PolarHBondContact OH-OE1 3.35Å; V46-E50 PolarHBondContact O-N 3.4Å; E47-E50 PolarHBondContact O-N 2.78Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 2.94Å; E50-C53 WeakPolarHBondContact O-CB 3.37Å; E50-C53 PolarHBondContact O-N 2.87Å; E50-C53 VanDerWaalsContact O-N 3.16Å; E50-L54 WeakPolarHBondContact O-CG 3.43Å; E50-L54 PolarHBondContact O-N 2.94Å; E50-R79 PolarHBondContact OE1-N 2.95Å; E50-R79 IonicContact OE2-NH1 2.68Å; E50-L366 HydrophobicContact CG-CD1 4.04Å; E50-L366 HydrophobicContact CG-CD2 3.68Å
51	K	96.9	Very high	94.9	Very high	127 Å²	127	49.2 Å²	49.2	55%	0.552	25%	0.248	S	C	*	.	H	α-helix	trans	-56.9	-43.2	175.6	-174.2	-176.9	-178.1	-102.7	0	112	E47 C53 L54 E55	E47-K51 WeakPolarHBondContact O-CB 3.31Å; E47-K51 PolarHBondContact O-N 2.92Å; K51-C53 VanDerWaalsContact C-N 3.3Å; K51-C53 PolarHBondContact O-N 3.19Å; K51-L54 WeakPolarHBondContact O-CB 3.2Å; K51-L54 PolarHBondContact O-N 3.44Å; K51-L54 VanDerWaalsContact O-N 3.11Å; K51-E55 IonicContact NZ-OE1 2.77Å; K51-E55 PolarHBondContact NZ-OE1 3.17Å; K51-E55 WeakPolarHBondContact O-CG 3.25Å; K51-E55 PolarHBondContact O-N 2.99Å
52	R	97.7	Very high	95.2	Very high	45 Å²	45	46.9 Å²	46.9	17%	0.17	24%	0.236	C	C	.	.	H	α-helix	trans	-65.7	-32.7	-179.4	-174.3	56.8	179	154.8	9.6	112.3	A48 I49 E50 E55 L56 E354 Y357	A48-R52 WeakPolarHBondContact O-CB 3.5Å; A48-R52 PolarHBondContact O-N 2.88Å; I49-R52 PolarHBondContact O-N 3.06Å; E50-R52 VanDerWaalsContact C-N 3.31Å; E50-R52 PolarHBondContact O-N 2.94Å; R52-E55 WeakPolarHBondContact CD-OE2 3.28Å; R52-E55 IonicContact CZ-OE2 2.78Å; R52-E55 IonicContact NE-OE2 2.7Å; R52-E55 IonicContact NH1-OE2 3.1Å; R52-E55 PolarHBondContact NH1-OE2 3.22Å; R52-L56 HydrophobicContact CG-CD1 4.41Å; R52-L56 VanDerWaalsContact O-CG 3.23Å; R52-L56 WeakPolarHBondContact O-CG 3.11Å; R52-L56 PolarHBondContact O-N 3.21Å; R52-E354 IonicContact CZ-OE1 2.68Å; R52-E354 IonicContact NH2-OE1 2.76Å; R52-E354 PolarHBondContact NH2-OE1 2.91Å; R52-Y357 HydrophobicContact CB-CE1 3.79Å; R52-Y357 HydrophobicContact CG-CD1 3.98Å; R52-Y357 HydrophobicContact CG-CE1 3.41Å; R52-Y357 VanDerWaalsContact CG-CE1 3.41Å
53	C	98.3	Very high	95.6	Very high	2 Å²	2	47.8 Å²	47.8	1%	0.014	24%	0.236	C	C	.	.	H	α-helix	trans	-64.3	-42.4	171.1	-63.3	0	0	0	0	111.4	I49 E50 K51 L56 F57 L358 A361 Y362	I49-C53 PolarHBondContact O-N 2.92Å; I49-C53 PolarHBondContact O-SG 3.32Å; E50-C53 WeakPolarHBondContact O-CB 3.37Å; E50-C53 PolarHBondContact O-N 2.87Å; E50-C53 VanDerWaalsContact O-N 3.16Å; K51-C53 VanDerWaalsContact C-N 3.3Å; K51-C53 PolarHBondContact O-N 3.19Å; C53-L56 PolarHBondContact O-N 2.81Å; C53-L56 VanDerWaalsContact O-N 3.15Å; C53-F57 WeakPolarHBondContact O-CD2 3.33Å; C53-F57 PolarHBondContact O-N 3.33Å; C53-L358 HydrophobicContact CB-CD1 3.96Å; C53-A361 VanDerWaalsContact SG-CB 3.54Å; C53-Y362 HydrophobicContact CB-CD2 4.19Å
54	L	97.9	Very high	95.8	Very high	23 Å²	23	46.6 Å²	46.6	12%	0.12	23%	0.228	C	C	.	.	H	α-helix	trans	-62.8	-43.3	177.2	-59.2	175.4	0	0	0	112.3	E50 K51 L56 F57 D58 Y63 I65 V82	E50-L54 WeakPolarHBondContact O-CG 3.43Å; E50-L54 PolarHBondContact O-N 2.94Å; K51-L54 WeakPolarHBondContact O-CB 3.2Å; K51-L54 PolarHBondContact O-N 3.44Å; K51-L54 VanDerWaalsContact O-N 3.11Å; L54-L56 PolarHBondContact O-N 3.25Å; L54-F57 PolarHBondContact O-N 2.87Å; L54-D58 PolarHBondContact O-N 2.84Å; L54-Y63 HydrophobicContact CD2-CE2 4.05Å; L54-I65 HydrophobicContact CD2-CD1 3.8Å; L54-V82 HydrophobicContact CD2-CG2 3.47Å; L54-V82 VanDerWaalsContact CD2-CG2 3.47Å
55	E	97.4	Very high	95.8	Very high	73 Å²	73	44.2 Å²	44.2	34%	0.341	21%	0.209	S	C	.	.	H	α-helix	trans	-59.6	-27.2	173.5	-70.7	174.4	-173.2	0	0	113.7	K51 R52	K51-E55 IonicContact NZ-OE1 2.77Å; K51-E55 PolarHBondContact NZ-OE1 3.17Å; K51-E55 WeakPolarHBondContact O-CG 3.25Å; K51-E55 PolarHBondContact O-N 2.99Å; R52-E55 WeakPolarHBondContact CD-OE2 3.28Å; R52-E55 IonicContact CZ-OE2 2.78Å; R52-E55 IonicContact NE-OE2 2.7Å; R52-E55 IonicContact NH1-OE2 3.1Å; R52-E55 PolarHBondContact NH1-OE2 3.22Å
56	L	97.6	Very high	96	Very high	0 Å²	0	39.2 Å²	39.2	0%	0	19%	0.19	C	C	.	.	H	α-helix	trans	-85.9	-36.6	178.2	-68.3	172	0	0	0	111.6	R52 C53 L54 L350 E354 Y357 L358	R52-L56 HydrophobicContact CG-CD1 4.41Å; R52-L56 VanDerWaalsContact O-CG 3.23Å; R52-L56 WeakPolarHBondContact O-CG 3.11Å; R52-L56 PolarHBondContact O-N 3.21Å; C53-L56 PolarHBondContact O-N 2.81Å; C53-L56 VanDerWaalsContact O-N 3.15Å; L54-L56 PolarHBondContact O-N 3.25Å; L56-L350 HydrophobicContact CB-CD1 4.19Å; L56-L350 HydrophobicContact CB-CD2 4.35Å; L56-L350 HydrophobicContact CD2-CD1 4.46Å; L56-L350 HydrophobicContact CD2-CD2 3.8Å; L56-E354 HydrophobicContact CD2-CB 3.79Å; L56-E354 HydrophobicContact CD2-CG 4.06Å; L56-Y357 HydrophobicContact CD1-CD1 3.92Å; L56-L358 HydrophobicContact CB-CD1 4.34Å; L56-L358 HydrophobicContact CD1-CB 4.12Å
57	F	97.8	Very high	96	Very high	1 Å²	1	41.1 Å²	41.1	0%	0.004	20%	0.203	C	C	.	.	H	α-helix	trans	-66.8	-38.5	171.7	-75.8	-65.6	0	0	0	112.7	C53 L54 R59 D60 Y61 Y63 V82 L84 H347 L358 Y362	C53-F57 WeakPolarHBondContact O-CD2 3.33Å; C53-F57 PolarHBondContact O-N 3.33Å; L54-F57 PolarHBondContact O-N 2.87Å; F57-R59 PolarHBondContact O-N 3.22Å; F57-D60 PolarHBondContact O-N 3.12Å; F57-Y61 HydrophobicContact CD1-CD2 4.49Å; F57-Y61 PolarHBondContact O-N 3.12Å; F57-Y63 HydrophobicContact CB-CD1 4.28Å; F57-Y63 HydrophobicContact CB-CE1 4.33Å; F57-V82 HydrophobicContact CB-CG1 4.38Å; F57-V82 HydrophobicContact CD1-CG1 4.31Å; F57-V82 HydrophobicContact CD2-CB 4.17Å; F57-V82 HydrophobicContact CD2-CG1 4.01Å; F57-V82 HydrophobicContact CD2-CG2 3.71Å; F57-V82 HydrophobicContact CE2-CB 4.1Å; F57-V82 HydrophobicContact CE2-CG1 4.31Å; F57-V82 HydrophobicContact CE2-CG2 3.83Å; F57-V82 HydrophobicContact CG-CG1 4.01Å; F57-V82 HydrophobicContact CG-CG2 4.49Å; F57-L84 HydrophobicContact CB-CD2 4.46Å; F57-L84 HydrophobicContact CD1-CD1 4.4Å; F57-L84 HydrophobicContact CD1-CD2 3.53Å; F57-L84 HydrophobicContact CE1-CD1 4.19Å; F57-L84 HydrophobicContact CE1-CD2 3.99Å; F57-L84 HydrophobicContact CG-CD2 4.21Å; F57-H347 AromaticContact CD1-CE1 3.64Å; F57-H347 AromaticContact CE1-CE1 3.6Å; F57-L358 HydrophobicContact CD2-CD1 4.16Å; F57-L358 HydrophobicContact CE1-CD2 4.21Å; F57-L358 HydrophobicContact CE2-CD1 3.74Å; F57-L358 HydrophobicContact CZ-CD1 3.99Å; F57-L358 HydrophobicContact CZ-CD2 4.33Å; F57-Y362 HydrophobicContact CE2-CD1 4.1Å; F57-Y362 AromaticContact CE2-CD2 3.97Å; F57-Y362 HydrophobicContact CE2-CD2 3.97Å; F57-Y362 HydrophobicContact CE2-CE1 4.1Å; F57-Y362 AromaticContact CE2-CE2 3.99Å; F57-Y362 HydrophobicContact CE2-CE2 3.99Å; F57-Y362 HydrophobicContact CE2-CG 4.03Å; F57-Y362 AromaticContact CZ-CD1 3.81Å; F57-Y362 HydrophobicContact CZ-CD1 3.81Å; F57-Y362 AromaticContact CZ-CE1 3.84Å; F57-Y362 HydrophobicContact CZ-CE1 3.84Å; F57-Y362 HydrophobicContact CZ-CG 4.16Å
58	D	95.4	Very high	96	Very high	67 Å²	67	36.9 Å²	36.9	36%	0.358	18%	0.184	S	C	.	.	H	α-helix	trans	-63.5	-21.7	-176.8	-160.3	91	0	0	0	114	L54 Y63 R93	L54-D58 PolarHBondContact O-N 2.84Å; D58-Y63 HydrophobicContact CB-CE1 3.9Å; D58-R93 PolarHBondContact O-NH2 3.27Å; D58-R93 IonicContact OD2-CZ 3.26Å; D58-R93 IonicContact OD2-NH1 3.55Å; D58-R93 PolarHBondContact OD2-NH1 3.43Å; D58-R93 IonicContact OD2-NH2 2.81Å
59	R	94.4	Very high	95.7	Very high	85 Å²	85	36.7 Å²	36.7	32%	0.321	18%	0.179	S	C	.	.	H	α-helix	trans	-63.1	-45.3	178	-72.1	-172.8	-176	169.6	9	112.6	F57 R93 N349 L350 E354	F57-R59 PolarHBondContact O-N 3.22Å; R59-R93 PolarHBondContact O-NH2 3.49Å; R59-N349 PolarHBondContact NH1-O 3.18Å; R59-L350 HydrophobicContact CB-CD2 4.49Å; R59-E354 IonicContact CZ-OE1 3.9Å; R59-E354 IonicContact CZ-OE2 3.28Å; R59-E354 IonicContact NH1-OE1 3.37Å; R59-E354 IonicContact NH1-OE2 3.68Å; R59-E354 PolarHBondContact NH1-OE2 3.15Å; R59-E354 VanDerWaalsContact NH2-CD 3.33Å; R59-E354 IonicContact NH2-OE1 2.71Å; R59-E354 PolarHBondContact NH2-OE1 2.95Å; R59-E354 IonicContact NH2-OE2 2.74Å; R59-E354 PolarHBondContact NH2-OE2 2.61Å
60	D	94.8	Very high	95.2	Very high	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.199	C	C	.	.	H	α-helix	trans	-111.2	-12.4	-167.1	-64.1	-62.6	0	0	0	113.2	F57 E87 S88 H347 A348 N349	F57-D60 PolarHBondContact O-N 3.12Å; D60-E87 CarbonylContact O-C 3.59Å; D60-E87 WeakPolarHBondContact O-CA 3.44Å; D60-E87 WeakPolarHBondContact O-CG 3.44Å; D60-S88 PolarHBondContact O-N 3.1Å; D60-H347 VanDerWaalsContact OD2-CA 3.28Å; D60-H347 WeakPolarHBondContact OD2-CA 3.4Å; D60-A348 PolarHBondContact OD1-N 2.97Å; D60-A348 PolarHBondContact OD2-N 2.87Å; D60-N349 VanDerWaalsContact OD1-CB 3.31Å; D60-N349 WeakPolarHBondContact OD1-CB 3.49Å; D60-N349 PolarHBondContact OD1-N 2.83Å; D60-N349 PolarHBondContact OD1-ND2 2.92Å; D60-N349 PolarHBondContact OD2-N 2.93Å
61	Y	95	Very high	94.9	Very high	3 Å²	3	39.5 Å²	39.5	1%	0.012	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	141.9	-171.6	-61.3	-80.2	0	0	0	113.8	F57 L84 Y86 E87 L127 V346 H347	F57-Y61 HydrophobicContact CD1-CD2 4.49Å; F57-Y61 PolarHBondContact O-N 3.12Å; Y61-L84 HydrophobicContact CD1-CB 4.33Å; Y61-L84 HydrophobicContact CD1-CD1 4.33Å; Y61-L84 HydrophobicContact CD1-CD2 4.39Å; Y61-L84 HydrophobicContact CD2-CD1 4.43Å; Y61-L84 HydrophobicContact CD2-CD2 4.08Å; Y61-L84 HydrophobicContact CE1-CD1 4.43Å; Y61-L84 HydrophobicContact CG-CD1 4.34Å; Y61-L84 HydrophobicContact CG-CD2 3.8Å; Y61-L84 HydrophobicContact CG-CG 4.44Å; Y61-Y86 WeakPolarHBondContact CA-O 3.37Å; Y61-E87 HydrophobicContact CD1-CB 4.32Å; Y61-E87 HydrophobicContact CE1-CB 4.16Å; Y61-E87 HydrophobicContact CE1-CG 4.37Å; Y61-L127 HydrophobicContact CD1-CD2 4.43Å; Y61-L127 HydrophobicContact CE1-CB 4.42Å; Y61-V346 VanDerWaalsContact OH-CA 3.31Å; Y61-V346 WeakPolarHBondContact OH-CA 3.5Å; Y61-V346 VanDerWaalsContact OH-CB 3.28Å; Y61-V346 WeakPolarHBondContact OH-CB 3.27Å; Y61-H347 AromaticContact CE2-CE1 3.59Å; Y61-H347 AromaticContact CE2-ND1 3.8Å; Y61-H347 AromaticContact CE2-NE2 3.82Å; Y61-H347 PolarHBondContact OH-N 3.49Å; Y61-H347 VanDerWaalsContact OH-N 3.11Å
62	K	93.1	Very high	94.6	Very high	92 Å²	92	39.5 Å²	39.5	40%	0.4	20%	0.204	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.7	132.7	152.8	-174.7	71.4	175.2	-168.6	0	108.1	E85 Y86	K62-E85 PolarHBondContact O-N 3.4Å; K62-Y86 HydrophobicContact CB-CD1 3.99Å; K62-Y86 HydrophobicContact CB-CD2 3.83Å; K62-Y86 HydrophobicContact CB-CE1 3.72Å; K62-Y86 HydrophobicContact CB-CE2 3.53Å; K62-Y86 HydrophobicContact CB-CG 4.05Å; K62-Y86 VanDerWaalsContact CB-CZ 3.48Å; K62-Y86 HydrophobicContact CG-CD1 4.28Å; K62-Y86 HydrophobicContact CG-CE1 3.64Å; K62-Y86 HydrophobicContact CG-CE2 4.16Å; K62-Y86 PolarHBondContact N-O 2.78Å
63	Y	94.6	Very high	94.3	Very high	53 Å²	53	37.9 Å²	37.9	21%	0.208	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	153.8	178.9	66.6	-88.5	0	0	0	113.2	L54 F57 D58 I65 V82 F83	L54-Y63 HydrophobicContact CD2-CE2 4.05Å; F57-Y63 HydrophobicContact CB-CD1 4.28Å; F57-Y63 HydrophobicContact CB-CE1 4.33Å; D58-Y63 HydrophobicContact CB-CE1 3.9Å; Y63-I65 HydrophobicContact CD2-CD1 3.86Å; Y63-I65 HydrophobicContact CD2-CG1 4.39Å; Y63-I65 HydrophobicContact CE2-CD1 3.75Å; Y63-I65 HydrophobicContact CE2-CG1 4.21Å; Y63-V82 HydrophobicContact CD2-CG1 3.88Å; Y63-V82 HydrophobicContact CG-CG1 3.83Å; Y63-F83 CarbonylContact C-O 3.58Å; Y63-F83 WeakPolarHBondContact CA-O 3.33Å; Y63-F83 VanDerWaalsContact CB-O 3.25Å; Y63-F83 WeakPolarHBondContact CB-O 3.32Å
64	S	95.1	Very high	94.1	Very high	25 Å²	25	38 Å²	38	18%	0.175	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	160.4	165.8	-88	0	0	0	0	110.3	F83 E85	S64-F83 PolarHBondContact N-O 3.27Å; S64-F83 PolarHBondContact O-N 3.28Å; S64-E85 VanDerWaalsContact CB-OE1 3.23Å; S64-E85 WeakPolarHBondContact CB-OE1 3.39Å; S64-E85 PolarHBondContact N-OE1 2.88Å; S64-E85 VanDerWaalsContact N-OE1 3.15Å; S64-E85 PolarHBondContact OG-OE1 2.7Å
65	I	95.8	Very high	93.9	Very high	53 Å²	53	38 Å²	38	27%	0.272	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	120.8	173.2	-64.2	-57.7	0	0	0	110.1	L54 Y63 Q80 V82	L54-I65 HydrophobicContact CD2-CD1 3.8Å; Y63-I65 HydrophobicContact CD2-CD1 3.86Å; Y63-I65 HydrophobicContact CD2-CG1 4.39Å; Y63-I65 HydrophobicContact CE2-CD1 3.75Å; Y63-I65 HydrophobicContact CE2-CG1 4.21Å; I65-Q80 HydrophobicContact CD1-CB 4.26Å; I65-Q80 HydrophobicContact CG2-CB 3.9Å; I65-Q80 HydrophobicContact CG2-CG 4.34Å; I65-V82 HydrophobicContact CD1-CG2 4.05Å
66	I	95.7	Very high	93.7	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	121.6	160.4	-54.4	168	0	0	0	106.3	I81 F83 I102 L105 V109	I66-I81 HydrophobicContact CB-CB 4.1Å; I66-I81 HydrophobicContact CB-CG2 4.41Å; I66-I81 HydrophobicContact CD1-CG2 4.34Å; I66-I81 PolarHBondContact N-O 3.33Å; I66-I81 PolarHBondContact O-N 3.49Å; I66-F83 HydrophobicContact CD1-CB 4.28Å; I66-F83 HydrophobicContact CD1-CD2 4.49Å; I66-F83 HydrophobicContact CG1-CB 4.24Å; I66-I102 HydrophobicContact CG1-CD1 3.93Å; I66-L105 HydrophobicContact CD1-CD1 4.49Å; I66-L105 HydrophobicContact CD1-CD2 3.81Å; I66-L105 HydrophobicContact CD1-CG 4.05Å; I66-L105 HydrophobicContact CG1-CD2 3.94Å; I66-L105 HydrophobicContact CG1-CG 4.19Å; I66-V109 HydrophobicContact CD1-CG2 4.49Å; I66-V109 HydrophobicContact CG2-CB 4.5Å; I66-V109 HydrophobicContact CG2-CG1 4.07Å; I66-V109 HydrophobicContact CG2-CG2 4.38Å
67	S	94.8	Very high	93.7	Very high	49 Å²	49	36.4 Å²	36.4	34%	0.343	20%	0.197	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	133.4	-178.1	-175.7	0	0	0	0	111.3	S69 Q106	S67-S69 PolarHBondContact OG-OG 2.81Å; S67-Q106 PolarHBondContact O-NE2 3.2Å
68	N	94.9	Very high	93.6	Very high	1 Å²	1	36.4 Å²	36.4	1%	0.005	20%	0.197	C	C	.	.			trans	-135.6	46.3	172.1	-176.8	44	0	0	0	109.4	S70 G71 V73 C74 Y77 P78 R79 I81	N68-S70 PolarHBondContact O-N 2.57Å; N68-G71 PolarHBondContact O-N 3.28Å; N68-G71 WeakPolarHBondContact OD1-CA 3.29Å; N68-V73 WeakPolarHBondContact OD1-CA 3.31Å; N68-V73 WeakPolarHBondContact OD1-CB 3.46Å; N68-V73 PolarHBondContact OD1-N 3.03Å; N68-C74 PolarHBondContact ND2-O 2.98Å; N68-C74 PolarHBondContact OD1-N 2.83Å; N68-Y77 PolarHBondContact ND2-O 3.13Å; N68-Y77 VanDerWaalsContact ND2-O 3.11Å; N68-P78 WeakPolarHBondContact CB-O 3.47Å; N68-P78 PolarHBondContact ND2-O 3.21Å; N68-R79 CarbonylContact C-O 3.59Å; N68-R79 PolarHBondContact N-O 3.06Å; N68-I81 HydrophobicContact CB-CD1 3.79Å; N68-I81 HydrophobicContact CB-CG1 4.27Å
69	S	89.7	Confident	93.6	Very high	53 Å²	53	36.7 Å²	36.7	37%	0.371	19%	0.194	S	C	.	.	G	3₁₀ helix	trans	-37.8	125.9	168.8	-68.9	0	0	0	0	110.9	S67 G71 E72	S67-S69 PolarHBondContact OG-OG 2.81Å; S69-G71 PolarHBondContact O-N 3.12Å; S69-E72 WeakPolarHBondContact O-CB 3.5Å; S69-E72 VanDerWaalsContact O-CD 3.29Å; S69-E72 WeakPolarHBondContact O-CG 3.49Å; S69-E72 PolarHBondContact O-N 3.36Å
70	S	85.9	Confident	93.6	Very high	64 Å²	64	36.8 Å²	36.8	45%	0.448	20%	0.197	S	C	.	.	G	3₁₀ helix	trans	49.7	22.1	176.8	-55.1	0	0	0	0	115.5	K40 N68 E72	K40-S70 VanDerWaalsContact CE-O 3.27Å; K40-S70 WeakPolarHBondContact CE-O 3.35Å; K40-S70 WeakPolarHBondContact CG-O 3.23Å; N68-S70 PolarHBondContact O-N 2.57Å; S70-E72 VanDerWaalsContact C-N 3.33Å; S70-E72 PolarHBondContact O-N 3.46Å
71	G	90.3	Very high	93.8	Very high	10 Å²	10	36.6 Å²	36.6	10%	0.103	20%	0.197	C	C	.	.	G	3₁₀ helix	trans	70.6	19.9	-176.2	0	0	0	0	0	115.9	N68 S69 V73 C74 G75	N68-G71 PolarHBondContact O-N 3.28Å; N68-G71 WeakPolarHBondContact OD1-CA 3.29Å; S69-G71 PolarHBondContact O-N 3.12Å; G71-V73 PolarHBondContact O-N 2.8Å; G71-C74 CarbonylContact O-C 3.55Å; G71-C74 VanDerWaalsContact O-C 3.31Å; G71-C74 PolarHBondContact O-N 3.02Å; G71-G75 PolarHBondContact O-N 2.99Å; G71-G75 VanDerWaalsContact O-N 3.16Å
72	E	90.8	Very high	93.9	Very high	128 Å²	128	36.6 Å²	36.6	60%	0.598	20%	0.197	S	C	*	.	S	Bend	trans	-55.5	-30.2	-177	-76.4	160.9	-147.8	0	0	114	S69 S70 K113	S69-E72 WeakPolarHBondContact O-CB 3.5Å; S69-E72 VanDerWaalsContact O-CD 3.29Å; S69-E72 WeakPolarHBondContact O-CG 3.49Å; S69-E72 PolarHBondContact O-N 3.36Å; S70-E72 VanDerWaalsContact C-N 3.33Å; S70-E72 PolarHBondContact O-N 3.46Å; E72-K113 PolarHBondContact O-NZ 3.47Å
73	V	91.1	Very high	94	Very high	10 Å²	10	32.6 Å²	32.6	6%	0.061	18%	0.179	C	C	.	.	S	Bend	trans	-90.8	-52.7	173.2	-169.9	0	0	0	0	110.3	N68 G71 V109 K113 F121	N68-V73 WeakPolarHBondContact OD1-CA 3.31Å; N68-V73 WeakPolarHBondContact OD1-CB 3.46Å; N68-V73 PolarHBondContact OD1-N 3.03Å; G71-V73 PolarHBondContact O-N 2.8Å; V73-V109 HydrophobicContact CB-CG1 4.44Å; V73-V109 HydrophobicContact CG1-CG1 3.45Å; V73-V109 VanDerWaalsContact CG1-CG1 3.45Å; V73-V109 HydrophobicContact CG2-CG1 4.34Å; V73-K113 HydrophobicContact CG1-CB 3.96Å; V73-K113 HydrophobicContact CG1-CD 4.12Å; V73-F121 HydrophobicContact CB-CE1 4.14Å; V73-F121 HydrophobicContact CG1-CD1 3.49Å; V73-F121 VanDerWaalsContact CG1-CD1 3.49Å; V73-F121 HydrophobicContact CG1-CE1 3.37Å; V73-F121 HydrophobicContact CG1-CG 4.46Å; V73-F121 HydrophobicContact CG1-CZ 4.27Å
74	C	94.6	Very high	94.1	Very high	4 Å²	4	30.3 Å²	30.3	3%	0.027	17%	0.171	C	C	.	.			trans	-148.9	115.5	173	-175.4	0	0	0	0	111	N68 G71 H76 Y77 R118 F121	N68-C74 PolarHBondContact ND2-O 2.98Å; N68-C74 PolarHBondContact OD1-N 2.83Å; G71-C74 CarbonylContact O-C 3.55Å; G71-C74 VanDerWaalsContact O-C 3.31Å; G71-C74 PolarHBondContact O-N 3.02Å; C74-H76 PolarHBondContact O-N 3.41Å; C74-Y77 HydrophobicContact CB-CD2 4Å; C74-Y77 HydrophobicContact CB-CG 4.02Å; C74-Y77 PolarHBondContact O-N 3.16Å; C74-R118 PolarHBondContact SG-O 3.45Å; C74-F121 HydrophobicContact CB-CD1 4.44Å; C74-F121 HydrophobicContact CB-CE1 4.33Å
75	G	93.3	Very high	94	Very high	23 Å²	23	30.5 Å²	30.5	24%	0.237	17%	0.169	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-0.5	178.4	0	0	0	0	0	116.3	A39 G71	A39-G75 PolarHBondContact N-O 3.31Å; A39-G75 VanDerWaalsContact N-O 3.17Å; G71-G75 PolarHBondContact O-N 2.99Å; G71-G75 VanDerWaalsContact O-N 3.16Å
76	H	93.2	Very high	93.8	Very high	40 Å²	40	30.2 Å²	30.2	19%	0.185	17%	0.165	C	C	.	.	T	Hydrogen-bonded Turn	trans	-123.9	12.6	-179	-46.3	-76.8	0	0	0	113.6	R38 C74 R120 F367 G368	R38-H76 PolarHBondContact NH1-ND1 2.66Å; R38-H76 VanDerWaalsContact NH1-ND1 3.11Å; C74-H76 PolarHBondContact O-N 3.41Å; H76-R120 PolarHBondContact O-NH2 3.48Å; H76-F367 CarbonylContact O-C 3.48Å; H76-F367 WeakPolarHBondContact O-CA 3.09Å; H76-G368 PolarHBondContact O-N 3.46Å
77	Y	96.9	Very high	93.5	Very high	0 Å²	0	34.9 Å²	34.9	0%	0	19%	0.187	C	C	.	.	S	Bend	trans	-112.9	160.1	169.3	-77.2	-0.6	0	0	0	108.8	Y37 N68 C74 I81 R120 F121 C123 L366 F367	Y37-Y77 WeakPolarHBondContact CE1-O 3.48Å; N68-Y77 PolarHBondContact ND2-O 3.13Å; N68-Y77 VanDerWaalsContact ND2-O 3.11Å; C74-Y77 HydrophobicContact CB-CD2 4Å; C74-Y77 HydrophobicContact CB-CG 4.02Å; C74-Y77 PolarHBondContact O-N 3.16Å; Y77-I81 HydrophobicContact CD2-CD1 4.03Å; Y77-I81 HydrophobicContact CG-CD1 4.42Å; Y77-R120 HydrophobicContact CD1-CG 4.43Å; Y77-R120 HydrophobicContact CE1-CB 4.05Å; Y77-R120 HydrophobicContact CE1-CG 3.68Å; Y77-R120 WeakPolarHBondContact OH-CB 3.43Å; Y77-F121 AromaticContact CD2-CD1 3.98Å; Y77-F121 HydrophobicContact CD2-CD1 3.98Å; Y77-F121 AromaticContact CD2-CE1 3.38Å; Y77-F121 HydrophobicContact CD2-CE1 3.38Å; Y77-F121 HydrophobicContact CD2-CE2 4.46Å; Y77-F121 AromaticContact CD2-CZ 3.67Å; Y77-F121 HydrophobicContact CD2-CZ 3.67Å; Y77-F121 AromaticContact CE2-CD1 3.76Å; Y77-F121 HydrophobicContact CE2-CD1 3.76Å; Y77-F121 HydrophobicContact CE2-CD2 4.36Å; Y77-F121 AromaticContact CE2-CE1 3.6Å; Y77-F121 HydrophobicContact CE2-CE1 3.6Å; Y77-F121 HydrophobicContact CE2-CE2 4.21Å; Y77-F121 HydrophobicContact CE2-CG 4.15Å; Y77-F121 AromaticContact CE2-CZ 3.84Å; Y77-F121 HydrophobicContact CE2-CZ 3.84Å; Y77-F121 PolarHBondContact OH-O 3.21Å; Y77-C123 HydrophobicContact CD2-CB 4.47Å; Y77-C123 HydrophobicContact CE2-CB 3.78Å; Y77-L366 CarbonylContact C-O 3.55Å; Y77-F367 AromaticContact CD1-CD1 3.4Å; Y77-F367 HydrophobicContact CD1-CD1 3.4Å; Y77-F367 VanDerWaalsContact CD1-CD1 3.4Å; Y77-F367 AromaticContact CD1-CE1 3.6Å; Y77-F367 HydrophobicContact CD1-CE1 3.6Å; Y77-F367 HydrophobicContact CD1-CG 4.22Å; Y77-F367 HydrophobicContact CD2-CE1 4.29Å; Y77-F367 AromaticContact CE1-CD1 3.41Å; Y77-F367 HydrophobicContact CE1-CD1 3.41Å; Y77-F367 VanDerWaalsContact CE1-CD1 3.41Å; Y77-F367 AromaticContact CE1-CE1 3.56Å; Y77-F367 HydrophobicContact CE1-CE1 3.56Å; Y77-F367 HydrophobicContact CE2-CE1 4.27Å; Y77-F367 HydrophobicContact CG-CD1 4.18Å; Y77-F367 AromaticContact CG-CE1 3.98Å; Y77-F367 HydrophobicContact CG-CE1 3.98Å; Y77-F367 AromaticContact CZ-CE1 3.9Å
78	P	96.4	Very high	92.9	Very high	1 Å²	1	33 Å²	33	1%	0.006	17%	0.174	C	C	.	.			trans	-50.4	156.3	178.7	-22.3	26.9	0	0	0	113.4	Y37 N68 Q80 I81 Y362 L366 F367	Y37-P78 WeakPolarHBondContact OH-CA 3.35Å; N68-P78 WeakPolarHBondContact CB-O 3.47Å; N68-P78 PolarHBondContact ND2-O 3.21Å; P78-Q80 VanDerWaalsContact C-N 3.31Å; P78-I81 HydrophobicContact CB-CG1 4.14Å; P78-I81 HydrophobicContact CG-CG1 4.4Å; P78-I81 VanDerWaalsContact O-CG1 3.27Å; P78-I81 WeakPolarHBondContact O-CG1 3.4Å; P78-Y362 HydrophobicContact CG-CD2 4.4Å; P78-Y362 HydrophobicContact CG-CE2 3.86Å; P78-L366 HydrophobicContact CB-CB 4.43Å; P78-L366 WeakPolarHBondContact CD-O 3.34Å; P78-L366 HydrophobicContact CG-CB 3.9Å; P78-F367 VanDerWaalsContact CD-CE2 3.44Å; P78-F367 HydrophobicContact CG-CD2 3.87Å; P78-F367 HydrophobicContact CG-CE2 3.59Å; P78-F367 HydrophobicContact CG-CZ 4.44Å
79	R	95.8	Very high	91.8	Very high	74 Å²	74	36.3 Å²	36.3	28%	0.279	19%	0.194	S	C	.	.	S	Bend	trans	-68.9	-33	171.4	-78.5	167.2	66.5	-156.5	13.4	112.2	Y37 A39 V42 E47 E50 N68	Y37-R79 PolarHBondContact OH-N 3.5Å; A39-R79 HydrophobicContact CB-CG 4.09Å; V42-R79 HydrophobicContact CG2-CG 4.37Å; E47-R79 IonicContact OE1-CZ 2.74Å; E47-R79 IonicContact OE1-NH1 2.77Å; E47-R79 PolarHBondContact OE1-NH1 3.31Å; E47-R79 IonicContact OE1-NH2 3.4Å; E50-R79 PolarHBondContact OE1-N 2.95Å; E50-R79 IonicContact OE2-NH1 2.68Å; N68-R79 CarbonylContact C-O 3.59Å; N68-R79 PolarHBondContact N-O 3.06Å
80	Q	94.8	Very high	90.5	Very high	86 Å²	86	42.9 Å²	42.9	40%	0.402	22%	0.219	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	103.7	177.3	-58.7	-172.8	42.9	0	0	107.8	I65 P78	I65-Q80 HydrophobicContact CD1-CB 4.26Å; I65-Q80 HydrophobicContact CG2-CB 3.9Å; I65-Q80 HydrophobicContact CG2-CG 4.34Å; P78-Q80 VanDerWaalsContact C-N 3.31Å
81	I	97.1	Very high	89.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	116.5	-174.2	-61.5	174.8	0	0	0	108.2	I66 N68 Y77 P78 F83 F121 C123	I66-I81 HydrophobicContact CB-CB 4.1Å; I66-I81 HydrophobicContact CB-CG2 4.41Å; I66-I81 HydrophobicContact CD1-CG2 4.34Å; I66-I81 PolarHBondContact N-O 3.33Å; I66-I81 PolarHBondContact O-N 3.49Å; N68-I81 HydrophobicContact CB-CD1 3.79Å; N68-I81 HydrophobicContact CB-CG1 4.27Å; Y77-I81 HydrophobicContact CD2-CD1 4.03Å; Y77-I81 HydrophobicContact CG-CD1 4.42Å; P78-I81 HydrophobicContact CB-CG1 4.14Å; P78-I81 HydrophobicContact CG-CG1 4.4Å; P78-I81 VanDerWaalsContact O-CG1 3.27Å; P78-I81 WeakPolarHBondContact O-CG1 3.4Å; I81-F83 PolarHBondContact O-N 2.83Å; I81-F121 HydrophobicContact CD1-CE1 4.25Å; I81-F121 HydrophobicContact CD1-CZ 3.74Å; I81-C123 WeakPolarHBondContact CG2-SG 3.47Å
82	V	97.1	Very high	87.8	Confident	2 Å²	2	46.1 Å²	46.1	1%	0.012	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.1	120.3	-173.3	-176.7	0	0	0	0	110.8	L54 F57 Y63 I65 L84 Y362	L54-V82 HydrophobicContact CD2-CG2 3.47Å; L54-V82 VanDerWaalsContact CD2-CG2 3.47Å; F57-V82 HydrophobicContact CB-CG1 4.38Å; F57-V82 HydrophobicContact CD1-CG1 4.31Å; F57-V82 HydrophobicContact CD2-CB 4.17Å; F57-V82 HydrophobicContact CD2-CG1 4.01Å; F57-V82 HydrophobicContact CD2-CG2 3.71Å; F57-V82 HydrophobicContact CE2-CB 4.1Å; F57-V82 HydrophobicContact CE2-CG1 4.31Å; F57-V82 HydrophobicContact CE2-CG2 3.83Å; F57-V82 HydrophobicContact CG-CG1 4.01Å; F57-V82 HydrophobicContact CG-CG2 4.49Å; Y63-V82 HydrophobicContact CD2-CG1 3.88Å; Y63-V82 HydrophobicContact CG-CG1 3.83Å; I65-V82 HydrophobicContact CD1-CG2 4.05Å; V82-L84 HydrophobicContact CG1-CD2 3.51Å; V82-L84 HydrophobicContact CG1-CG 4.24Å; V82-Y362 HydrophobicContact CG2-CE2 4.25Å; V82-Y362 PolarHBondContact N-OH 2.72Å
83	F	97.1	Very high	86.2	Confident	8 Å²	8	45.1 Å²	45.1	4%	0.035	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	104.6	166.8	-177.7	-86	0	0	0	108.7	Y63 S64 I66 I81 E85 V100 L105 P124 H132 L198	Y63-F83 CarbonylContact C-O 3.58Å; Y63-F83 WeakPolarHBondContact CA-O 3.33Å; Y63-F83 VanDerWaalsContact CB-O 3.25Å; Y63-F83 WeakPolarHBondContact CB-O 3.32Å; S64-F83 PolarHBondContact N-O 3.27Å; S64-F83 PolarHBondContact O-N 3.28Å; I66-F83 HydrophobicContact CD1-CB 4.28Å; I66-F83 HydrophobicContact CD1-CD2 4.49Å; I66-F83 HydrophobicContact CG1-CB 4.24Å; I81-F83 PolarHBondContact O-N 2.83Å; F83-E85 HydrophobicContact CD1-CG 3.85Å; F83-E85 HydrophobicContact CE1-CG 4.04Å; F83-E85 PolarHBondContact O-N 3.32Å; F83-V100 HydrophobicContact CD1-CG1 4.13Å; F83-V100 HydrophobicContact CE1-CB 4.4Å; F83-V100 HydrophobicContact CE1-CG1 3.76Å; F83-V100 HydrophobicContact CE1-CG2 3.88Å; F83-V100 HydrophobicContact CZ-CG1 4.28Å; F83-L105 HydrophobicContact CB-CD2 4.4Å; F83-L105 HydrophobicContact CD2-CD2 3.38Å; F83-L105 HydrophobicContact CE2-CD2 3.72Å; F83-L105 HydrophobicContact CG-CD2 3.84Å; F83-L105 HydrophobicContact CZ-CD2 4.44Å; F83-P124 HydrophobicContact CD2-CG 3.69Å; F83-P124 HydrophobicContact CE2-CG 4.14Å; F83-H132 AromaticContact CE2-CE1 3.56Å; F83-H132 AromaticContact CE2-NE2 3.52Å; F83-H132 AromaticContact CZ-CE1 3.37Å; F83-H132 WeakPolarHBondContact CZ-CE1 3.42Å; F83-H132 AromaticContact CZ-NE2 3.22Å; F83-H132 WeakPolarHBondContact CZ-NE2 3.19Å; F83-L198 HydrophobicContact CD2-CD2 4.41Å; F83-L198 HydrophobicContact CE2-CD2 3.75Å
84	L	95.8	Very high	84.7	Confident	5 Å²	5	52.6 Å²	52.6	3%	0.026	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.3	119.6	177.2	-53.6	175.4	0	0	0	109.2	F57 Y61 V82 L127 H132	F57-L84 HydrophobicContact CB-CD2 4.46Å; F57-L84 HydrophobicContact CD1-CD1 4.4Å; F57-L84 HydrophobicContact CD1-CD2 3.53Å; F57-L84 HydrophobicContact CE1-CD1 4.19Å; F57-L84 HydrophobicContact CE1-CD2 3.99Å; F57-L84 HydrophobicContact CG-CD2 4.21Å; Y61-L84 HydrophobicContact CD1-CB 4.33Å; Y61-L84 HydrophobicContact CD1-CD1 4.33Å; Y61-L84 HydrophobicContact CD1-CD2 4.39Å; Y61-L84 HydrophobicContact CD2-CD1 4.43Å; Y61-L84 HydrophobicContact CD2-CD2 4.08Å; Y61-L84 HydrophobicContact CE1-CD1 4.43Å; Y61-L84 HydrophobicContact CG-CD1 4.34Å; Y61-L84 HydrophobicContact CG-CD2 3.8Å; Y61-L84 HydrophobicContact CG-CG 4.44Å; V82-L84 HydrophobicContact CG1-CD2 3.51Å; V82-L84 HydrophobicContact CG1-CG 4.24Å; L84-L127 HydrophobicContact CB-CB 3.77Å; L84-L127 HydrophobicContact CB-CD2 4.14Å; L84-L127 HydrophobicContact CD1-CB 3.95Å; L84-H132 PolarHBondContact O-CE1 2.83Å; L84-H132 VanDerWaalsContact O-CE1 3.32Å
85	E	93.1	Very high	83.1	Confident	30 Å²	30	61.1 Å²	61.1	14%	0.14	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	-51.3	-175.9	-61.7	177.6	-148.9	0	0	111.5	K62 S64 F83 S98 V100	K62-E85 PolarHBondContact O-N 3.4Å; S64-E85 VanDerWaalsContact CB-OE1 3.23Å; S64-E85 WeakPolarHBondContact CB-OE1 3.39Å; S64-E85 PolarHBondContact N-OE1 2.88Å; S64-E85 VanDerWaalsContact N-OE1 3.15Å; S64-E85 PolarHBondContact OG-OE1 2.7Å; F83-E85 HydrophobicContact CD1-CG 3.85Å; F83-E85 HydrophobicContact CE1-CG 4.04Å; F83-E85 PolarHBondContact O-N 3.32Å; E85-S98 VanDerWaalsContact CD-OG 3.31Å; E85-S98 WeakPolarHBondContact OE2-CB 3.48Å; E85-S98 PolarHBondContact OE2-OG 2.62Å; E85-V100 HydrophobicContact CG-CG2 4.14Å
86	Y	90.6	Very high	81.6	Confident	46 Å²	46	66.5 Å²	66.5	18%	0.18	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	157	176.2	54.9	-93.4	0	0	0	110.6	Y61 K62 F96	Y61-Y86 WeakPolarHBondContact CA-O 3.37Å; K62-Y86 HydrophobicContact CB-CD1 3.99Å; K62-Y86 HydrophobicContact CB-CD2 3.83Å; K62-Y86 HydrophobicContact CB-CE1 3.72Å; K62-Y86 HydrophobicContact CB-CE2 3.53Å; K62-Y86 HydrophobicContact CB-CG 4.05Å; K62-Y86 VanDerWaalsContact CB-CZ 3.48Å; K62-Y86 HydrophobicContact CG-CD1 4.28Å; K62-Y86 HydrophobicContact CG-CE1 3.64Å; K62-Y86 HydrophobicContact CG-CE2 4.16Å; K62-Y86 PolarHBondContact N-O 2.78Å; Y86-F96 HydrophobicContact CE1-CB 4.04Å; Y86-F96 HydrophobicContact CE2-CB 4.37Å; Y86-F96 PolarHBondContact OH-O 3.18Å; Y86-F96 VanDerWaalsContact OH-O 3.12Å
87	E	89.8	Confident	80.1	Confident	99 Å²	99	73.2 Å²	73.2	46%	0.463	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.1	128.3	170.8	-173.1	167	-154.2	0	0	109.2	D60 Y61	D60-E87 CarbonylContact O-C 3.59Å; D60-E87 WeakPolarHBondContact O-CA 3.44Å; D60-E87 WeakPolarHBondContact O-CG 3.44Å; Y61-E87 HydrophobicContact CD1-CB 4.32Å; Y61-E87 HydrophobicContact CE1-CB 4.16Å; Y61-E87 HydrophobicContact CE1-CG 4.37Å
88	S	83	Confident	78.7	Confident	10 Å²	10	76 Å²	76	7%	0.07	36%	0.362	C	S	.	.			trans	-103.2	111.5	-173.3	-175.7	0	0	0	0	110.7	D60 R93	D60-S88 PolarHBondContact O-N 3.1Å; S88-R93 WeakPolarHBondContact OG-CG 3.44Å
89	T	72.1	Confident	77.4	Confident	69 Å²	69	82.4 Å²	82.4	42%	0.423	40%	0.401	S	S	.	.			trans	-73	167.1	159.1	86.5	0	0	0	0	110.1	V91 D92	T89-V91 PolarHBondContact O-N 2.7Å; T89-V91 PolarHBondContact OG1-N 3.06Å; T89-V91 VanDerWaalsContact OG1-N 3.08Å; T89-D92 WeakPolarHBondContact CB-OD2 3.39Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.37Å; T89-D92 PolarHBondContact OG1-N 3.32Å; T89-D92 PolarHBondContact OG1-OD2 2.79Å
90	E	60.9	Low	76.3	Confident	192 Å²	192	80.2 Å²	80.2	90%	0.897	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.6	-19.1	171.9	-62.8	-172.6	145.9	0	0	113.1
91	V	61.5	Low	75.9	Confident	95 Å²	95	81.7 Å²	81.7	58%	0.576	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-22.2	-173.8	-174.7	0	0	0	0	112.4	T89	T89-V91 PolarHBondContact O-N 2.7Å; T89-V91 PolarHBondContact OG1-N 3.06Å; T89-V91 VanDerWaalsContact OG1-N 3.08Å
92	D	58.9	Low	75.5	Confident	46 Å²	46	84.1 Å²	84.1	25%	0.246	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-101.7	-9.7	-167.5	-60.7	-54.3	0	0	0	114.9	T89 D94 R95	T89-D92 WeakPolarHBondContact CB-OD2 3.39Å; T89-D92 WeakPolarHBondContact CG2-OD2 3.37Å; T89-D92 PolarHBondContact OG1-N 3.32Å; T89-D92 PolarHBondContact OG1-OD2 2.79Å; D92-D94 PolarHBondContact O-N 3.09Å; D92-R95 PolarHBondContact O-N 2.76Å
93	R	57.9	Low	75.3	Confident	107 Å²	107	88.6 Å²	88.6	40%	0.404	45%	0.446	S	S	.	.	T	Hydrogen-bonded Turn	trans	-53.9	-31.2	-174.5	-74.7	-168.8	-177	-127	-4.3	114.5	D58 R59 S88	D58-R93 PolarHBondContact O-NH2 3.27Å; D58-R93 IonicContact OD2-CZ 3.26Å; D58-R93 IonicContact OD2-NH1 3.55Å; D58-R93 PolarHBondContact OD2-NH1 3.43Å; D58-R93 IonicContact OD2-NH2 2.81Å; R59-R93 PolarHBondContact O-NH2 3.49Å; S88-R93 WeakPolarHBondContact OG-CG 3.44Å
94	D	58.5	Low	75.2	Confident	167 Å²	167	93 Å²	93	89%	0.893	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	5.7	-178.2	-62.2	-28.1	0	0	0	113.7	D92	D92-D94 PolarHBondContact O-N 3.09Å
95	R	61.5	Low	75.2	Confident	184 Å²	184	92.8 Å²	92.8	69%	0.694	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.2	-23.2	-171.7	-71.6	-176.9	169.2	-170.3	-2.5	115.5	D92	D92-R95 PolarHBondContact O-N 2.76Å
96	F	61.4	Low	75.3	Confident	135 Å²	135	93.5 Å²	93.5	59%	0.592	47%	0.468	S	S	*	.			trans	-114.6	114.3	-176.9	-96.9	-89.9	0	0	0	112.3	Y86	Y86-F96 HydrophobicContact CE1-CB 4.04Å; Y86-F96 HydrophobicContact CE2-CB 4.37Å; Y86-F96 PolarHBondContact OH-O 3.18Å; Y86-F96 VanDerWaalsContact OH-O 3.12Å
97	E	61.6	Low	75.5	Confident	181 Å²	181	94.1 Å²	94.1	85%	0.846	47%	0.474	S	S	*	.			trans	-68.1	142.9	163.2	-65.5	-168.5	151.6	0	0	110.3	T99	E97-T99 PolarHBondContact O-N 2.88Å
98	S	67.1	Low	75.9	Confident	59 Å²	59	90.5 Å²	90.5	41%	0.413	46%	0.458	S	S	.	.			trans	-68.8	123.3	178.3	-174.5	0	0	0	0	111	E85 V100	E85-S98 VanDerWaalsContact CD-OG 3.31Å; E85-S98 WeakPolarHBondContact OE2-CB 3.48Å; E85-S98 PolarHBondContact OE2-OG 2.62Å; S98-V100 PolarHBondContact O-N 3.26Å; S98-V100 PolarHBondContact OG-N 3.07Å
99	T	69.1	Low	76.5	Confident	135 Å²	135	90 Å²	90	83%	0.828	46%	0.455	S	S	*	.			trans	-79.6	-5.2	171.3	56.9	0	0	0	0	112.6	E97	E97-T99 PolarHBondContact O-N 2.88Å
100	V	73.7	Confident	77.6	Confident	29 Å²	29	88.8 Å²	88.8	18%	0.176	45%	0.449	C	S	.	.			trans	-92.7	111.1	-167.2	-178.1	0	0	0	0	110.8	F83 E85 S98 I102	F83-V100 HydrophobicContact CD1-CG1 4.13Å; F83-V100 HydrophobicContact CE1-CB 4.4Å; F83-V100 HydrophobicContact CE1-CG1 3.76Å; F83-V100 HydrophobicContact CE1-CG2 3.88Å; F83-V100 HydrophobicContact CZ-CG1 4.28Å; E85-V100 HydrophobicContact CG-CG2 4.14Å; S98-V100 PolarHBondContact O-N 3.26Å; S98-V100 PolarHBondContact OG-N 3.07Å; V100-I102 PolarHBondContact O-N 2.86Å
101	Q	85.9	Confident	79.2	Confident	116 Å²	116	86.1 Å²	86.1	54%	0.542	43%	0.431	S	S	.	.			trans	-72.9	76.8	173.1	-66.7	178.4	-10	0	0	110.6	S103 K104 L105 Y197	Q101-S103 PolarHBondContact O-N 3.05Å; Q101-S103 VanDerWaalsContact O-N 3.12Å; Q101-K104 HydrophobicContact CB-CB 3.86Å; Q101-K104 HydrophobicContact CB-CD 4.38Å; Q101-K104 WeakPolarHBondContact O-CA 3.45Å; Q101-K104 WeakPolarHBondContact O-CB 3.46Å; Q101-K104 PolarHBondContact O-N 3.46Å; Q101-L105 PolarHBondContact O-N 3.01Å; Q101-Y197 PolarHBondContact O-OH 3.15Å
102	I	89.6	Confident	80.7	Confident	52 Å²	52	81.6 Å²	81.6	27%	0.267	40%	0.403	S	S	.	.	H	α-helix	trans	-55.4	-32.4	-175.5	-171.3	56.9	0	0	0	113.3	I66 V100 L105 Q106	I66-I102 HydrophobicContact CG1-CD1 3.93Å; V100-I102 PolarHBondContact O-N 2.86Å; I102-L105 HydrophobicContact CD1-CB 4.43Å; I102-L105 HydrophobicContact CD1-CD2 4Å; I102-L105 PolarHBondContact O-N 3.47Å; I102-Q106 WeakPolarHBondContact O-CB 3.42Å; I102-Q106 PolarHBondContact O-N 3.16Å
103	S	91.7	Very high	82.3	Confident	95 Å²	95	82.1 Å²	82.1	66%	0.664	40%	0.403	S	S	*	.	H	α-helix	trans	-64.3	-37.3	173.1	53.8	0	0	0	0	113.5	Q101 D107	Q101-S103 PolarHBondContact O-N 3.05Å; Q101-S103 VanDerWaalsContact O-N 3.12Å; S103-D107 PolarHBondContact O-N 2.94Å; S103-D107 VanDerWaalsContact O-N 3.08Å
104	K	95.3	Very high	83.7	Confident	101 Å²	101	79.1 Å²	79.1	44%	0.439	39%	0.394	S	S	.	.	H	α-helix	trans	-72.7	-36.9	174.8	179.6	179.4	175.4	-177.5	0	111.5	Q101 D107 L108 Y197	Q101-K104 HydrophobicContact CB-CB 3.86Å; Q101-K104 HydrophobicContact CB-CD 4.38Å; Q101-K104 WeakPolarHBondContact O-CA 3.45Å; Q101-K104 WeakPolarHBondContact O-CB 3.46Å; Q101-K104 PolarHBondContact O-N 3.46Å; K104-D107 PolarHBondContact O-N 3.39Å; K104-L108 HydrophobicContact CG-CD1 4.46Å; K104-L108 WeakPolarHBondContact O-CG 3.36Å; K104-L108 PolarHBondContact O-N 3.17Å; K104-Y197 HydrophobicContact CD-CE2 4.01Å; K104-Y197 HydrophobicContact CG-CE2 4.23Å
105	L	95.1	Very high	85.3	Confident	0 Å²	0	71.1 Å²	71.1	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-63.7	-45.4	171.5	177.7	53.9	0	0	0	111.2	I66 F83 Q101 I102 D107 L108 V109 L194 Y197 L198	I66-L105 HydrophobicContact CD1-CD1 4.49Å; I66-L105 HydrophobicContact CD1-CD2 3.81Å; I66-L105 HydrophobicContact CD1-CG 4.05Å; I66-L105 HydrophobicContact CG1-CD2 3.94Å; I66-L105 HydrophobicContact CG1-CG 4.19Å; F83-L105 HydrophobicContact CB-CD2 4.4Å; F83-L105 HydrophobicContact CD2-CD2 3.38Å; F83-L105 HydrophobicContact CE2-CD2 3.72Å; F83-L105 HydrophobicContact CG-CD2 3.84Å; F83-L105 HydrophobicContact CZ-CD2 4.44Å; Q101-L105 PolarHBondContact O-N 3.01Å; I102-L105 HydrophobicContact CD1-CB 4.43Å; I102-L105 HydrophobicContact CD1-CD2 4Å; I102-L105 PolarHBondContact O-N 3.47Å; L105-D107 VanDerWaalsContact C-N 3.31Å; L105-D107 PolarHBondContact O-N 3.41Å; L105-L108 PolarHBondContact O-N 3.42Å; L105-V109 HydrophobicContact CD1-CG2 3.96Å; L105-V109 HydrophobicContact CG-CG2 4.46Å; L105-V109 VanDerWaalsContact O-CB 3.3Å; L105-V109 WeakPolarHBondContact O-CB 3.15Å; L105-V109 VanDerWaalsContact O-CG2 3.28Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.42Å; L105-L194 HydrophobicContact CD1-CD1 3.74Å; L105-Y197 HydrophobicContact CB-CE1 3.79Å; L105-Y197 HydrophobicContact CD1-CD1 3.85Å; L105-Y197 HydrophobicContact CD1-CE1 3.81Å; L105-Y197 HydrophobicContact CD2-CE1 4.34Å; L105-Y197 HydrophobicContact CG-CE1 4.18Å; L105-L198 HydrophobicContact CD1-CD2 4.17Å
106	Q	95.8	Very high	86.9	Confident	45 Å²	45	62.4 Å²	62.4	21%	0.21	32%	0.319	C	S	.	.	H	α-helix	trans	-57.3	-41.3	175.3	-172.1	69.7	42.3	0	0	112.1	S67 I102 S110	S67-Q106 PolarHBondContact O-NE2 3.2Å; I102-Q106 WeakPolarHBondContact O-CB 3.42Å; I102-Q106 PolarHBondContact O-N 3.16Å; Q106-S110 VanDerWaalsContact O-CB 3.24Å; Q106-S110 WeakPolarHBondContact O-CB 3.27Å; Q106-S110 PolarHBondContact O-N 3.33Å; Q106-S110 PolarHBondContact O-OG 3.15Å
107	D	95.9	Very high	88.3	Confident	60 Å²	60	56 Å²	56	32%	0.321	29%	0.291	S	S	.	.	H	α-helix	trans	-65	-48.6	174.9	178.2	71.7	0	0	0	112.5	S103 K104 L105 V109 S110 R111	S103-D107 PolarHBondContact O-N 2.94Å; S103-D107 VanDerWaalsContact O-N 3.08Å; K104-D107 PolarHBondContact O-N 3.39Å; L105-D107 VanDerWaalsContact C-N 3.31Å; L105-D107 PolarHBondContact O-N 3.41Å; D107-V109 VanDerWaalsContact C-N 3.32Å; D107-V109 PolarHBondContact O-N 2.83Å; D107-S110 PolarHBondContact O-N 2.98Å; D107-S110 VanDerWaalsContact O-N 3.16Å; D107-R111 VanDerWaalsContact CG-NH2 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.27Å; D107-R111 PolarHBondContact O-N 3.47Å; D107-R111 IonicContact OD1-CZ 3.04Å; D107-R111 IonicContact OD1-NE 2.71Å; D107-R111 PolarHBondContact OD1-NE 2.82Å; D107-R111 IonicContact OD1-NH2 3.82Å; D107-R111 PolarHBondContact OD1-NH2 3.18Å; D107-R111 IonicContact OD2-CZ 3.64Å; D107-R111 VanDerWaalsContact OD2-CZ 3.24Å; D107-R111 IonicContact OD2-NE 3.91Å; D107-R111 PolarHBondContact OD2-NE 3.33Å; D107-R111 IonicContact OD2-NH2 2.73Å; D107-R111 PolarHBondContact OD2-NH2 2.95Å; D107-R111 VanDerWaalsContact OD2-NH2 3.13Å
108	L	96.6	Very high	89.6	Confident	22 Å²	22	51 Å²	51	12%	0.115	26%	0.264	C	S	.	.	H	α-helix	trans	-60	-41.9	177.1	-72.6	170.5	0	0	0	112.2	K104 L105 S112 K193 L194 Y197	K104-L108 HydrophobicContact CG-CD1 4.46Å; K104-L108 WeakPolarHBondContact O-CG 3.36Å; K104-L108 PolarHBondContact O-N 3.17Å; L105-L108 PolarHBondContact O-N 3.42Å; L108-S112 VanDerWaalsContact O-CB 3.26Å; L108-S112 WeakPolarHBondContact O-CB 3.23Å; L108-S112 PolarHBondContact O-N 2.85Å; L108-S112 PolarHBondContact O-OG 3.14Å; L108-K193 HydrophobicContact CD2-CB 3.93Å; L108-L194 HydrophobicContact CB-CD1 4.08Å; L108-Y197 HydrophobicContact CD1-CD1 4.1Å; L108-Y197 HydrophobicContact CD1-CD2 3.55Å; L108-Y197 HydrophobicContact CD1-CE2 4.21Å; L108-Y197 HydrophobicContact CD1-CG 3.48Å; L108-Y197 VanDerWaalsContact CD1-CG 3.48Å
109	V	96.1	Very high	90.7	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.247	C	C	.	.	H	α-helix	trans	-62.2	-46.6	173.3	162.3	0	0	0	0	111	I66 V73 L105 D107 R111 S112 K113 F121 L194	I66-V109 HydrophobicContact CD1-CG2 4.49Å; I66-V109 HydrophobicContact CG2-CB 4.5Å; I66-V109 HydrophobicContact CG2-CG1 4.07Å; I66-V109 HydrophobicContact CG2-CG2 4.38Å; V73-V109 HydrophobicContact CB-CG1 4.44Å; V73-V109 HydrophobicContact CG1-CG1 3.45Å; V73-V109 VanDerWaalsContact CG1-CG1 3.45Å; V73-V109 HydrophobicContact CG2-CG1 4.34Å; L105-V109 HydrophobicContact CD1-CG2 3.96Å; L105-V109 HydrophobicContact CG-CG2 4.46Å; L105-V109 VanDerWaalsContact O-CB 3.3Å; L105-V109 WeakPolarHBondContact O-CB 3.15Å; L105-V109 VanDerWaalsContact O-CG2 3.28Å; L105-V109 WeakPolarHBondContact O-CG2 3.44Å; L105-V109 PolarHBondContact O-N 3.42Å; D107-V109 VanDerWaalsContact C-N 3.32Å; D107-V109 PolarHBondContact O-N 2.83Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 PolarHBondContact O-N 2.94Å; V109-S112 PolarHBondContact O-N 3.02Å; V109-S112 PolarHBondContact O-OG 3.39Å; V109-K113 PolarHBondContact O-N 2.85Å; V109-F121 HydrophobicContact CB-CD2 4.36Å; V109-F121 HydrophobicContact CB-CE2 4.31Å; V109-F121 HydrophobicContact CG1-CD1 4.09Å; V109-F121 HydrophobicContact CG1-CD2 3.86Å; V109-F121 HydrophobicContact CG1-CE1 3.82Å; V109-F121 HydrophobicContact CG1-CE2 3.6Å; V109-F121 HydrophobicContact CG1-CG 4.1Å; V109-F121 HydrophobicContact CG1-CZ 3.56Å; V109-F121 HydrophobicContact CG2-CD2 3.9Å; V109-F121 HydrophobicContact CG2-CE2 3.76Å; V109-L194 HydrophobicContact CG2-CD1 3.91Å; V109-L194 HydrophobicContact CG2-CD2 4.05Å
110	S	94.7	Very high	91.9	Very high	44 Å²	44	42 Å²	42	31%	0.308	21%	0.208	S	C	.	.	H	α-helix	trans	-65.8	-31.8	-179.5	-61.1	0	0	0	0	113.5	Q106 D107 K113	Q106-S110 VanDerWaalsContact O-CB 3.24Å; Q106-S110 WeakPolarHBondContact O-CB 3.27Å; Q106-S110 PolarHBondContact O-N 3.33Å; Q106-S110 PolarHBondContact O-OG 3.15Å; D107-S110 PolarHBondContact O-N 2.98Å; D107-S110 VanDerWaalsContact O-N 3.16Å; S110-K113 WeakPolarHBondContact O-CD 3.44Å; S110-K113 WeakPolarHBondContact O-CG 3.37Å
111	R	94.5	Very high	93	Very high	135 Å²	135	40.7 Å²	40.7	51%	0.509	20%	0.2	S	C	.	.	H	α-helix	trans	-84.1	-30.8	177	-64.2	-179.7	-161.4	-151	10.1	113.8	D107 V109 H190	D107-R111 VanDerWaalsContact CG-NH2 3.29Å; D107-R111 WeakPolarHBondContact O-CG 3.27Å; D107-R111 PolarHBondContact O-N 3.47Å; D107-R111 IonicContact OD1-CZ 3.04Å; D107-R111 IonicContact OD1-NE 2.71Å; D107-R111 PolarHBondContact OD1-NE 2.82Å; D107-R111 IonicContact OD1-NH2 3.82Å; D107-R111 PolarHBondContact OD1-NH2 3.18Å; D107-R111 IonicContact OD2-CZ 3.64Å; D107-R111 VanDerWaalsContact OD2-CZ 3.24Å; D107-R111 IonicContact OD2-NE 3.91Å; D107-R111 PolarHBondContact OD2-NE 3.33Å; D107-R111 IonicContact OD2-NH2 2.73Å; D107-R111 PolarHBondContact OD2-NH2 2.95Å; D107-R111 VanDerWaalsContact OD2-NH2 3.13Å; V109-R111 VanDerWaalsContact C-N 3.33Å; V109-R111 PolarHBondContact O-N 2.94Å; R111-H190 HydrophobicContact CB-CB 4.24Å
112	S	94.8	Very high	93.6	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-82.4	-18.4	-178.7	56.7	0	0	0	0	114.1	L108 V109 M114 A115 L194	L108-S112 VanDerWaalsContact O-CB 3.26Å; L108-S112 WeakPolarHBondContact O-CB 3.23Å; L108-S112 PolarHBondContact O-N 2.85Å; L108-S112 PolarHBondContact O-OG 3.14Å; V109-S112 PolarHBondContact O-N 3.02Å; V109-S112 PolarHBondContact O-OG 3.39Å; S112-M114 PolarHBondContact O-N 3.01Å; S112-A115 VanDerWaalsContact O-CB 3.25Å; S112-A115 WeakPolarHBondContact O-CB 3.47Å; S112-A115 PolarHBondContact O-N 3.19Å; S112-L194 VanDerWaalsContact OG-CD2 3.27Å; S112-L194 WeakPolarHBondContact OG-CD2 3.46Å
113	K	90.7	Very high	94	Very high	58 Å²	58	32.7 Å²	32.7	25%	0.252	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-50	-29.9	-173.7	70.3	-175.4	-179.8	-178.1	0	116.3	E72 V73 V109 S110 A115 G119	E72-K113 PolarHBondContact O-NZ 3.47Å; V73-K113 HydrophobicContact CG1-CB 3.96Å; V73-K113 HydrophobicContact CG1-CD 4.12Å; V109-K113 PolarHBondContact O-N 2.85Å; S110-K113 WeakPolarHBondContact O-CD 3.44Å; S110-K113 WeakPolarHBondContact O-CG 3.37Å; K113-A115 VanDerWaalsContact C-N 3.35Å; K113-G119 CarbonylContact O-C 3.57Å; K113-G119 WeakPolarHBondContact O-CA 3.21Å
114	M	88.9	Confident	94.2	Very high	43 Å²	43	28.4 Å²	28.4	21%	0.212	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-80	-10.9	179.2	-68.1	-64	100	0	0	114.7	S112 L145 R148 V187	S112-M114 PolarHBondContact O-N 3.01Å; M114-L145 HydrophobicContact CB-CD1 4.22Å; M114-R148 HydrophobicContact SD-CB 4.09Å; M114-R148 VanDerWaalsContact SD-CD 3.52Å; M114-R148 HydrophobicContact SD-CG 4.44Å; M114-V187 HydrophobicContact CB-CG1 4.44Å
115	A	92.1	Very high	94.4	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	S	Bend	trans	-72.2	-32.6	-173.6	0	0	0	0	0	114.1	S112 K113 A140 V187 R188 D191	S112-A115 VanDerWaalsContact O-CB 3.25Å; S112-A115 WeakPolarHBondContact O-CB 3.47Å; S112-A115 PolarHBondContact O-N 3.19Å; K113-A115 VanDerWaalsContact C-N 3.35Å; A115-A140 PolarHBondContact O-N 3.05Å; A115-V187 VanDerWaalsContact CA-CG1 3.43Å; A115-V187 HydrophobicContact CB-CG1 3.73Å; A115-R188 VanDerWaalsContact O-CZ 3.26Å; A115-R188 PolarHBondContact O-NH1 3.45Å; A115-R188 PolarHBondContact O-NH2 3.16Å; A115-D191 HydrophobicContact CB-CB 3.64Å
116	R	94.1	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.111	C	C	.	.	B	Isolated β-bridge	trans	-119	155	-168.1	-72.6	178.2	-178.6	-85.5	-11.6	111.9	G119 R120 S136 A137 T138 L139 D191 E223	R116-G119 PolarHBondContact O-N 3.29Å; R116-G119 VanDerWaalsContact O-N 3.15Å; R116-R120 WeakPolarHBondContact CB-O 3.44Å; R116-S136 WeakPolarHBondContact CD-OG 3.34Å; R116-A137 WeakPolarHBondContact CD-O 3.48Å; R116-A137 PolarHBondContact NH1-O 2.89Å; R116-T138 VanDerWaalsContact CA-O 3.29Å; R116-T138 WeakPolarHBondContact CA-O 3.41Å; R116-T138 WeakPolarHBondContact CB-O 3.49Å; R116-L139 HydrophobicContact CG-CD2 4.28Å; R116-D191 WeakPolarHBondContact CD-OD1 3.33Å; R116-D191 IonicContact CZ-OD1 3.19Å; R116-D191 IonicContact CZ-OD2 3.77Å; R116-D191 IonicContact NE-OD1 2.66Å; R116-D191 PolarHBondContact NE-OD1 3.28Å; R116-D191 IonicContact NE-OD2 2.74Å; R116-D191 PolarHBondContact NE-OD2 2.96Å; R116-D191 IonicContact NH2-OD1 3.47Å; R116-D191 IonicContact NH2-OD2 2.91Å; R116-D191 PolarHBondContact NH2-OD2 3.3Å; R116-E223 IonicContact CZ-OE1 2.61Å; R116-E223 IonicContact NH1-OE1 3.6Å; R116-E223 PolarHBondContact NH1-OE1 3.17Å; R116-E223 IonicContact NH2-OE1 3.75Å; R116-E223 PolarHBondContact NH2-OE1 2.76Å
117	C	91.5	Very high	94.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	10%	0.103	C	C	.	.	G	3₁₀ helix	trans	-58.6	145.4	-172	-66.3	0	0	0	0	112.4	G119 R120 A137 T138 E144 T220	C117-G119 PolarHBondContact O-N 3.32Å; C117-R120 VanDerWaalsContact O-CB 3.28Å; C117-R120 WeakPolarHBondContact O-CB 3.21Å; C117-R120 WeakPolarHBondContact O-CG 3.4Å; C117-R120 PolarHBondContact O-N 3.33Å; C117-R120 VanDerWaalsContact O-N 3.1Å; C117-A137 HydrophobicContact CB-CB 3.93Å; C117-T138 PolarHBondContact N-O 3.27Å; C117-E144 VanDerWaalsContact CA-OE1 3.27Å; C117-E144 WeakPolarHBondContact CA-OE1 3.3Å; C117-E144 PolarHBondContact SG-OE2 3.2Å; C117-T220 WeakPolarHBondContact SG-CG2 3.29Å
118	R	88.1	Confident	94.6	Very high	77 Å²	77	19.9 Å²	19.9	29%	0.291	9%	0.09	S	C	.	.	G	3₁₀ helix	trans	57.1	20.7	-173.9	-62.3	163.5	172.1	64.7	0.4	114.6	C74 R120 E144 W326	C74-R118 PolarHBondContact SG-O 3.45Å; R118-R120 HydrophobicContact CB-CG 4.11Å; R118-R120 PolarHBondContact O-N 2.99Å; R118-E144 PolarHBondContact N-OE1 3.46Å; R118-W326 VanDerWaalsContact NE-CZ3 3.31Å
119	G	89.8	Confident	94.4	Very high	5 Å²	5	23.6 Å²	23.6	5%	0.052	11%	0.11	C	C	.	.	G	3₁₀ helix	trans	70.6	15.3	-175.1	0	0	0	0	0	113.9	K113 R116 C117 F121	K113-G119 CarbonylContact O-C 3.57Å; K113-G119 WeakPolarHBondContact O-CA 3.21Å; R116-G119 PolarHBondContact O-N 3.29Å; R116-G119 VanDerWaalsContact O-N 3.15Å; C117-G119 PolarHBondContact O-N 3.32Å; G119-F121 PolarHBondContact O-N 2.99Å; G119-F121 VanDerWaalsContact O-N 3.08Å
120	R	94.4	Very high	94.2	Very high	1 Å²	1	26.7 Å²	26.7	0%	0.004	14%	0.143	C	C	.	.			trans	-80.2	89.3	-173.4	-71.9	-177.8	171.7	-107.9	-29	110.5	H76 Y77 R116 C117 R118 S136 A137 S324 G325 F367	H76-R120 PolarHBondContact O-NH2 3.48Å; Y77-R120 HydrophobicContact CD1-CG 4.43Å; Y77-R120 HydrophobicContact CE1-CB 4.05Å; Y77-R120 HydrophobicContact CE1-CG 3.68Å; Y77-R120 WeakPolarHBondContact OH-CB 3.43Å; R116-R120 WeakPolarHBondContact CB-O 3.44Å; C117-R120 VanDerWaalsContact O-CB 3.28Å; C117-R120 WeakPolarHBondContact O-CB 3.21Å; C117-R120 WeakPolarHBondContact O-CG 3.4Å; C117-R120 PolarHBondContact O-N 3.33Å; C117-R120 VanDerWaalsContact O-N 3.1Å; R118-R120 HydrophobicContact CB-CG 4.11Å; R118-R120 PolarHBondContact O-N 2.99Å; R120-S136 PolarHBondContact O-OG 3.47Å; R120-A137 HydrophobicContact CB-CB 3.97Å; R120-S324 WeakPolarHBondContact CD-O 3.49Å; R120-S324 PolarHBondContact NE-O 3.3Å; R120-G325 PolarHBondContact NH1-O 3.06Å; R120-F367 PolarHBondContact NH1-O 2.96Å; R120-F367 VanDerWaalsContact NH1-O 3.13Å; R120-F367 PolarHBondContact NH2-O 3.22Å
121	F	96.8	Very high	94.3	Very high	1 Å²	1	25.4 Å²	25.4	0%	0.004	13%	0.131	C	C	.	.			trans	-61.2	170.1	170.6	66.8	-87.7	0	0	0	112.1	V73 C74 Y77 I81 V109 G119 C123 S136 L194	V73-F121 HydrophobicContact CB-CE1 4.14Å; V73-F121 HydrophobicContact CG1-CD1 3.49Å; V73-F121 VanDerWaalsContact CG1-CD1 3.49Å; V73-F121 HydrophobicContact CG1-CE1 3.37Å; V73-F121 HydrophobicContact CG1-CG 4.46Å; V73-F121 HydrophobicContact CG1-CZ 4.27Å; C74-F121 HydrophobicContact CB-CD1 4.44Å; C74-F121 HydrophobicContact CB-CE1 4.33Å; Y77-F121 AromaticContact CD2-CD1 3.98Å; Y77-F121 HydrophobicContact CD2-CD1 3.98Å; Y77-F121 AromaticContact CD2-CE1 3.38Å; Y77-F121 HydrophobicContact CD2-CE1 3.38Å; Y77-F121 HydrophobicContact CD2-CE2 4.46Å; Y77-F121 AromaticContact CD2-CZ 3.67Å; Y77-F121 HydrophobicContact CD2-CZ 3.67Å; Y77-F121 AromaticContact CE2-CD1 3.76Å; Y77-F121 HydrophobicContact CE2-CD1 3.76Å; Y77-F121 HydrophobicContact CE2-CD2 4.36Å; Y77-F121 AromaticContact CE2-CE1 3.6Å; Y77-F121 HydrophobicContact CE2-CE1 3.6Å; Y77-F121 HydrophobicContact CE2-CE2 4.21Å; Y77-F121 HydrophobicContact CE2-CG 4.15Å; Y77-F121 AromaticContact CE2-CZ 3.84Å; Y77-F121 HydrophobicContact CE2-CZ 3.84Å; Y77-F121 PolarHBondContact OH-O 3.21Å; I81-F121 HydrophobicContact CD1-CE1 4.25Å; I81-F121 HydrophobicContact CD1-CZ 3.74Å; V109-F121 HydrophobicContact CB-CD2 4.36Å; V109-F121 HydrophobicContact CB-CE2 4.31Å; V109-F121 HydrophobicContact CG1-CD1 4.09Å; V109-F121 HydrophobicContact CG1-CD2 3.86Å; V109-F121 HydrophobicContact CG1-CE1 3.82Å; V109-F121 HydrophobicContact CG1-CE2 3.6Å; V109-F121 HydrophobicContact CG1-CG 4.1Å; V109-F121 HydrophobicContact CG1-CZ 3.56Å; V109-F121 HydrophobicContact CG2-CD2 3.9Å; V109-F121 HydrophobicContact CG2-CE2 3.76Å; G119-F121 PolarHBondContact O-N 2.99Å; G119-F121 VanDerWaalsContact O-N 3.08Å; F121-C123 HydrophobicContact CE2-CB 4.2Å; F121-C123 PolarHBondContact O-N 2.81Å; F121-S136 VanDerWaalsContact C-OG 3.26Å; F121-S136 PolarHBondContact O-OG 3.38Å; F121-L194 HydrophobicContact CB-CD2 4.24Å; F121-L194 HydrophobicContact CD2-CD2 4Å
122	V	98.3	Very high	94.4	Very high	0 Å²	0	20 Å²	20	0%	0	11%	0.112	C	C	.	.			trans	-72.5	111.3	177.5	179.3	0	0	0	0	109.8	C134 L194 L195 L198 L319	V122-C134 HydrophobicContact CG1-CB 3.7Å; V122-L194 HydrophobicContact CB-CD2 4.12Å; V122-L194 HydrophobicContact CB-CG 4.49Å; V122-L195 HydrophobicContact CG1-CD2 4.07Å; V122-L195 HydrophobicContact CG2-CD2 3.89Å; V122-L195 HydrophobicContact CG2-CG 4.08Å; V122-L198 HydrophobicContact CB-CD1 4.34Å; V122-L198 HydrophobicContact CG1-CD1 3.83Å; V122-L198 WeakPolarHBondContact O-CD1 3.4Å; V122-L319 HydrophobicContact CG1-CD1 4.36Å; V122-L319 HydrophobicContact CG2-CD2 4.15Å
123	C	98.3	Very high	94.6	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123	-175.8	-171.9	0	0	0	0	111	Y77 I81 F121 C134 R135 F367	Y77-C123 HydrophobicContact CD2-CB 4.47Å; Y77-C123 HydrophobicContact CE2-CB 3.78Å; I81-C123 WeakPolarHBondContact CG2-SG 3.47Å; F121-C123 HydrophobicContact CE2-CB 4.2Å; F121-C123 PolarHBondContact O-N 2.81Å; C123-C134 CarbonylContact O-C 3.6Å; C123-C134 WeakPolarHBondContact O-CA 3.34Å; C123-R135 HydrophobicContact CB-CG 4.41Å; C123-R135 PolarHBondContact N-O 2.82Å; C123-R135 PolarHBondContact O-N 3.35Å; C123-F367 HydrophobicContact CB-CE1 4.12Å; C123-F367 HydrophobicContact CB-CZ 4.36Å
124	P	97.6	Very high	95	Very high	4 Å²	4	17.4 Å²	17.4	3%	0.026	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	145.2	167.3	28.6	-31.3	0	0	0	110.2	F83 H132 L198	F83-P124 HydrophobicContact CD2-CG 3.69Å; F83-P124 HydrophobicContact CE2-CG 4.14Å; P124-H132 HydrophobicContact CB-CB 4.22Å; P124-L198 HydrophobicContact CG-CD2 4.04Å
125	V	98.3	Very high	95.5	Very high	3 Å²	3	15.4 Å²	15.4	2%	0.018	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.8	-16.7	-177.6	-73.6	0	0	0	0	114.9	I133 R135 V333 R337 Y362 F367	V125-I133 WeakPolarHBondContact CG2-O 3.33Å; V125-I133 PolarHBondContact N-O 3.35Å; V125-R135 HydrophobicContact CG1-CG 3.84Å; V125-R135 HydrophobicContact CG2-CB 4.27Å; V125-R135 HydrophobicContact CG2-CG 4.1Å; V125-V333 HydrophobicContact CG2-CG1 3.81Å; V125-R337 PolarHBondContact O-NH1 2.88Å; V125-R337 PolarHBondContact O-NH2 3.25Å; V125-Y362 HydrophobicContact CG1-CE1 4.09Å; V125-F367 HydrophobicContact CG1-CE1 4.39Å; V125-F367 HydrophobicContact CG1-CE2 4.38Å; V125-F367 HydrophobicContact CG1-CZ 3.84Å
126	I	98.6	Very high	95.7	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.9	142.4	170.4	-47.1	164	0	0	0	107.1	I133 V333 L336 R337 L340 V346	I126-I133 HydrophobicContact CB-CB 4.06Å; I126-I133 HydrophobicContact CB-CD1 4.19Å; I126-I133 HydrophobicContact CB-CG1 4.34Å; I126-I133 HydrophobicContact CD1-CB 4.38Å; I126-I133 HydrophobicContact CD1-CD1 4.03Å; I126-I133 HydrophobicContact CG2-CD1 4.36Å; I126-I133 PolarHBondContact N-O 3.39Å; I126-I133 PolarHBondContact O-N 2.77Å; I126-V333 HydrophobicContact CD1-CG1 4.34Å; I126-L336 HydrophobicContact CD1-CB 4.21Å; I126-R337 HydrophobicContact CD1-CB 3.86Å; I126-R337 HydrophobicContact CG1-CB 4.39Å; I126-L340 HydrophobicContact CG2-CD1 4.4Å; I126-V346 HydrophobicContact CG2-CG1 3.96Å
127	L	97.4	Very high	95.9	Very high	11 Å²	11	15.5 Å²	15.5	6%	0.058	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	129.5	166.7	178.9	70.3	0	0	0	107.2	Y61 L84 V346	Y61-L127 HydrophobicContact CD1-CD2 4.43Å; Y61-L127 HydrophobicContact CE1-CB 4.42Å; L84-L127 HydrophobicContact CB-CB 3.77Å; L84-L127 HydrophobicContact CB-CD2 4.14Å; L84-L127 HydrophobicContact CD1-CB 3.95Å; L127-V346 WeakPolarHBondContact O-CG1 3.11Å
128	Y	95.8	Very high	96	Very high	13 Å²	13	15.5 Å²	15.5	5%	0.051	9%	0.091	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	126.6	179	175.1	-120.3	0	0	0	110	G130 K131 I310 N311 L340 A345 V346 A399	Y128-G130 PolarHBondContact O-N 2.63Å; Y128-K131 PolarHBondContact N-O 2.74Å; Y128-K131 WeakPolarHBondContact O-CA 3.43Å; Y128-K131 WeakPolarHBondContact O-CB 3.49Å; Y128-K131 PolarHBondContact O-N 2.95Å; Y128-I310 HydrophobicContact CD1-CB 4.39Å; Y128-I310 HydrophobicContact CD1-CD1 3.86Å; Y128-I310 HydrophobicContact CD1-CG1 4.12Å; Y128-I310 HydrophobicContact CE1-CD1 4.22Å; Y128-I310 HydrophobicContact CE1-CG1 4.25Å; Y128-N311 PolarHBondContact OH-OD1 3.41Å; Y128-L340 HydrophobicContact CD1-CD1 4.45Å; Y128-L340 HydrophobicContact CD1-CD2 3.92Å; Y128-L340 HydrophobicContact CD2-CD2 4.03Å; Y128-L340 HydrophobicContact CE1-CD2 3.83Å; Y128-L340 HydrophobicContact CE2-CD2 4Å; Y128-L340 HydrophobicContact CG-CD1 4.21Å; Y128-L340 HydrophobicContact CG-CD2 4.01Å; Y128-A345 HydrophobicContact CD2-CB 4.41Å; Y128-A345 WeakPolarHBondContact CD2-O 3.29Å; Y128-A345 HydrophobicContact CE2-CB 3.8Å; Y128-V346 HydrophobicContact CD2-CG1 4.09Å; Y128-V346 HydrophobicContact CG-CG1 4.49Å; Y128-A399 HydrophobicContact CE1-CB 4.47Å
129	N	92.7	Very high	96.3	Very high	100 Å²	100	12 Å²	12	54%	0.535	8%	0.079	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.2	42.1	-174.9	-62.2	-9.7	0	0	0	113.3	K131	N129-K131 PolarHBondContact O-N 2.69Å
130	G	91.9	Very high	96.3	Very high	66 Å²	66	11.8 Å²	11.8	68%	0.68	8%	0.076	S	C	*	.	T	Hydrogen-bonded Turn	trans	75.6	-4.7	-176.3	0	0	0	0	0	115.9	Y128	Y128-G130 PolarHBondContact O-N 2.63Å
131	K	95.6	Very high	95.8	Very high	16 Å²	16	12.1 Å²	12.1	7%	0.07	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	135.6	-177	-44.8	-179.1	-163.7	-176.8	0	111.2	Y128 N129 I310 S312 D314	Y128-K131 PolarHBondContact N-O 2.74Å; Y128-K131 WeakPolarHBondContact O-CA 3.43Å; Y128-K131 WeakPolarHBondContact O-CB 3.49Å; Y128-K131 PolarHBondContact O-N 2.95Å; N129-K131 PolarHBondContact O-N 2.69Å; K131-I310 PolarHBondContact NZ-O 2.79Å; K131-S312 PolarHBondContact NZ-O 3.11Å; K131-S312 PolarHBondContact NZ-OG 3.04Å; K131-D314 WeakPolarHBondContact CE-O 3.31Å; K131-D314 PolarHBondContact NZ-O 2.69Å
132	H	97.4	Very high	94.6	Very high	23 Å²	23	17.3 Å²	17.3	11%	0.106	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	128.1	172.1	-64.9	-66.9	0	0	0	111.9	F83 L84 P124 G317 L318	F83-H132 AromaticContact CE2-CE1 3.56Å; F83-H132 AromaticContact CE2-NE2 3.52Å; F83-H132 AromaticContact CZ-CE1 3.37Å; F83-H132 WeakPolarHBondContact CZ-CE1 3.42Å; F83-H132 AromaticContact CZ-NE2 3.22Å; F83-H132 WeakPolarHBondContact CZ-NE2 3.19Å; L84-H132 PolarHBondContact O-CE1 2.83Å; L84-H132 VanDerWaalsContact O-CE1 3.32Å; P124-H132 HydrophobicContact CB-CB 4.22Å; H132-G317 WeakPolarHBondContact O-CA 3.48Å; H132-L318 PolarHBondContact O-N 3.1Å
133	I	98.7	Very high	93.2	Very high	2 Å²	2	19.5 Å²	19.5	1%	0.01	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	117.7	157.7	-48.3	176.1	0	0	0	107	V125 I126 I310 L318 L336 L340	V125-I133 WeakPolarHBondContact CG2-O 3.33Å; V125-I133 PolarHBondContact N-O 3.35Å; I126-I133 HydrophobicContact CB-CB 4.06Å; I126-I133 HydrophobicContact CB-CD1 4.19Å; I126-I133 HydrophobicContact CB-CG1 4.34Å; I126-I133 HydrophobicContact CD1-CB 4.38Å; I126-I133 HydrophobicContact CD1-CD1 4.03Å; I126-I133 HydrophobicContact CG2-CD1 4.36Å; I126-I133 PolarHBondContact N-O 3.39Å; I126-I133 PolarHBondContact O-N 2.77Å; I133-I310 HydrophobicContact CD1-CD1 3.95Å; I133-I310 HydrophobicContact CD1-CG2 4.09Å; I133-I310 HydrophobicContact CG1-CG2 4.16Å; I133-L318 CarbonylContact C-O 3.48Å; I133-L318 WeakPolarHBondContact CA-O 3.41Å; I133-L318 HydrophobicContact CG2-CD2 4.42Å; I133-L336 HydrophobicContact CD1-CD1 4.42Å; I133-L336 HydrophobicContact CG2-CD1 4.25Å; I133-L340 HydrophobicContact CD1-CD1 4.1Å
134	C	98.8	Very high	92.1	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	154.9	-178.2	-63.1	0	0	0	0	111.1	V122 C123 V200 L318 L319 V320	V122-C134 HydrophobicContact CG1-CB 3.7Å; C123-C134 CarbonylContact O-C 3.6Å; C123-C134 WeakPolarHBondContact O-CA 3.34Å; C134-V200 HydrophobicContact CB-CG2 4.3Å; C134-L318 PolarHBondContact N-O 3.25Å; C134-L319 HydrophobicContact CB-CB 4.48Å; C134-L319 HydrophobicContact CB-CD1 4.41Å; C134-L319 CarbonylContact O-C 3.31Å; C134-L319 WeakPolarHBondContact O-CA 3.45Å; C134-V320 PolarHBondContact O-N 3.33Å
135	R	98.6	Very high	91.1	Very high	2 Å²	2	21.1 Å²	21.1	1%	0.008	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	152.4	173.3	69.9	-176.8	-69	-177	-1.3	111.2	C123 V125 V320 T329 V333 D363 F367	C123-R135 HydrophobicContact CB-CG 4.41Å; C123-R135 PolarHBondContact N-O 2.82Å; C123-R135 PolarHBondContact O-N 3.35Å; V125-R135 HydrophobicContact CG1-CG 3.84Å; V125-R135 HydrophobicContact CG2-CB 4.27Å; V125-R135 HydrophobicContact CG2-CG 4.1Å; R135-V320 WeakPolarHBondContact CA-O 3.2Å; R135-T329 HydrophobicContact CB-CG2 3.86Å; R135-V333 HydrophobicContact CB-CG2 4.03Å; R135-D363 PolarHBondContact NH1-O 3.08Å; R135-D363 IonicContact NH1-OD1 2.69Å; R135-D363 PolarHBondContact NH2-O 2.57Å; R135-F367 HydrophobicContact CG-CD1 4.41Å; R135-F367 HydrophobicContact CG-CE1 4Å
136	S	98.2	Very high	89.5	Confident	1 Å²	1	25.5 Å²	25.5	1%	0.007	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-163.1	-173.6	174.7	-149.4	0	0	0	0	113	R116 R120 F121 V320 H321 G325	R116-S136 WeakPolarHBondContact CD-OG 3.34Å; R120-S136 PolarHBondContact O-OG 3.47Å; F121-S136 VanDerWaalsContact C-OG 3.26Å; F121-S136 PolarHBondContact O-OG 3.38Å; S136-V320 PolarHBondContact N-O 3.39Å; S136-H321 VanDerWaalsContact O-CB 3.31Å; S136-H321 WeakPolarHBondContact O-CB 3.39Å; S136-G325 VanDerWaalsContact O-CA 3.23Å; S136-G325 WeakPolarHBondContact O-CA 3.27Å
137	A	96.3	Very high	87.8	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	171.3	160	0	0	0	0	0	110.4	R116 C117 R120 C322	R116-A137 WeakPolarHBondContact CD-O 3.48Å; R116-A137 PolarHBondContact NH1-O 2.89Å; C117-A137 HydrophobicContact CB-CB 3.93Å; R120-A137 HydrophobicContact CB-CB 3.97Å; A137-C322 CarbonylContact C-O 3.49Å; A137-C322 WeakPolarHBondContact CA-O 3.37Å
138	T	94.9	Very high	86.3	Confident	0 Å²	0	30.1 Å²	30.1	0%	0	18%	0.176	C	C	.	.			trans	-71.6	179.6	171.8	-164	0	0	0	0	112.3	R116 C117 M207 T220 S221 S222 E223 C322	R116-T138 VanDerWaalsContact CA-O 3.29Å; R116-T138 WeakPolarHBondContact CA-O 3.41Å; R116-T138 WeakPolarHBondContact CB-O 3.49Å; C117-T138 PolarHBondContact N-O 3.27Å; T138-M207 WeakPolarHBondContact CB-SD 3.38Å; T138-M207 HydrophobicContact CG2-CE 4.24Å; T138-M207 HydrophobicContact CG2-SD 3.57Å; T138-M207 VanDerWaalsContact CG2-SD 3.57Å; T138-T220 HydrophobicContact CG2-CG2 4.06Å; T138-S221 PolarHBondContact OG1-O 3.5Å; T138-S222 WeakPolarHBondContact OG1-CA 3.48Å; T138-E223 PolarHBondContact OG1-OE2 2.89Å; T138-C322 PolarHBondContact N-O 2.7Å
139	L	93.8	Very high	84.3	Confident	4 Å²	4	32.2 Å²	32.2	2%	0.021	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	133.4	-177.5	-41.5	-176.7	0	0	0	111.8	R116 T220 S221 E223 Y231	R116-L139 HydrophobicContact CG-CD2 4.28Å; L139-T220 WeakPolarHBondContact O-CA 3.41Å; L139-S221 WeakPolarHBondContact CB-O 3.4Å; L139-S221 WeakPolarHBondContact CG-O 3.43Å; L139-S221 PolarHBondContact N-O 3.34Å; L139-S221 PolarHBondContact O-N 2.88Å; L139-E223 HydrophobicContact CD1-CG 4.09Å; L139-E223 HydrophobicContact CD2-CG 4.04Å; L139-E223 HydrophobicContact CG-CG 4.12Å; L139-Y231 HydrophobicContact CD1-CD2 4.29Å; L139-Y231 HydrophobicContact CD1-CE2 3.67Å; L139-Y231 HydrophobicContact CD2-CE1 4.4Å; L139-Y231 HydrophobicContact CD2-CE2 4.4Å; L139-Y231 WeakPolarHBondContact CD2-OH 3.47Å
140	A	89.6	Confident	82.3	Confident	1 Å²	1	28.9 Å²	28.9	1%	0.008	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.4	134.6	175.1	0	0	0	0	0	111.8	A115 E144 R188	A115-A140 PolarHBondContact O-N 3.05Å; A140-E144 HydrophobicContact CB-CB 4.3Å; A140-E144 HydrophobicContact CB-CG 4.28Å; A140-R188 PolarHBondContact O-NH2 3.48Å
141	G	83.8	Confident	79.9	Confident	7 Å²	7	33.2 Å²	33.2	7%	0.072	18%	0.177	C	C	.	.			trans	-81.9	176.2	173.5	0	0	0	0	0	113.3	G143 E144 L145 V219	G141-G143 PolarHBondContact O-N 3.16Å; G141-E144 PolarHBondContact O-N 2.74Å; G141-E144 VanDerWaalsContact O-N 3.16Å; G141-L145 PolarHBondContact O-N 3.25Å; G141-V219 WeakPolarHBondContact CA-O 3.35Å; G141-V219 PolarHBondContact N-O 3.23Å
142	W	71.1	Confident	77.4	Confident	110 Å²	110	36.5 Å²	36.5	42%	0.417	20%	0.195	S	C	.	.	H	α-helix	trans	-50.8	-56.5	-175.3	-81.9	96.5	0	0	0	113.8	E144 L145 Y146 E180 F184	W142-E144 VanDerWaalsContact C-N 3.27Å; W142-E144 PolarHBondContact O-N 2.73Å; W142-L145 PolarHBondContact O-N 2.81Å; W142-L145 VanDerWaalsContact O-N 3.16Å; W142-Y146 AromaticContact CE3-CD2 3.83Å; W142-Y146 HydrophobicContact CE3-CD2 3.83Å; W142-Y146 AromaticContact CE3-CE2 3.59Å; W142-Y146 HydrophobicContact CE3-CE2 3.59Å; W142-Y146 HydrophobicContact CH2-CE2 4.46Å; W142-Y146 HydrophobicContact CZ3-CD2 4.05Å; W142-Y146 AromaticContact CZ3-CE2 3.31Å; W142-Y146 HydrophobicContact CZ3-CE2 3.31Å; W142-Y146 AromaticContact CZ3-CZ 3.8Å; W142-Y146 PolarHBondContact O-N 3.2Å; W142-E180 HydrophobicContact CH2-CB 3.51Å; W142-E180 HydrophobicContact CH2-CG 3.74Å; W142-E180 HydrophobicContact CZ2-CB 4.47Å; W142-E180 HydrophobicContact CZ3-CB 4Å; W142-E180 HydrophobicContact CZ3-CG 3.69Å; W142-F184 HydrophobicContact CD2-CD2 4.44Å; W142-F184 AromaticContact CD2-CE2 3.54Å; W142-F184 HydrophobicContact CD2-CE2 3.54Å; W142-F184 HydrophobicContact CD2-CZ 4.04Å; W142-F184 AromaticContact CE2-CD2 3.94Å; W142-F184 AromaticContact CE2-CE2 3.35Å; W142-F184 AromaticContact CE2-CZ 3.83Å; W142-F184 AromaticContact CE3-CE2 3.76Å; W142-F184 HydrophobicContact CE3-CE2 3.76Å; W142-F184 HydrophobicContact CG-CE2 4.19Å; W142-F184 HydrophobicContact CG-CZ 4.22Å; W142-F184 AromaticContact CH2-CD2 3.41Å; W142-F184 HydrophobicContact CH2-CD2 3.41Å; W142-F184 VanDerWaalsContact CH2-CD2 3.41Å; W142-F184 AromaticContact CH2-CE2 3.48Å; W142-F184 HydrophobicContact CH2-CE2 3.48Å; W142-F184 VanDerWaalsContact CH2-CE2 3.48Å; W142-F184 AromaticContact CZ2-CD2 3.39Å; W142-F184 HydrophobicContact CZ2-CD2 3.39Å; W142-F184 AromaticContact CZ2-CE2 3.33Å; W142-F184 HydrophobicContact CZ2-CE2 3.33Å; W142-F184 HydrophobicContact CZ2-CG 4.27Å; W142-F184 HydrophobicContact CZ2-CZ 4.15Å; W142-F184 HydrophobicContact CZ3-CD2 4.04Å; W142-F184 AromaticContact CZ3-CE2 3.74Å; W142-F184 HydrophobicContact CZ3-CE2 3.74Å; W142-F184 AromaticContact NE1-CE2 3.99Å; W142-F184 AromaticContact NE1-CZ 3.99Å
143	G	69.2	Low	74.5	Confident	47 Å²	47	45.4 Å²	45.4	49%	0.485	23%	0.229	S	C	.	.	H	α-helix	trans	-63	-29.5	-178.5	0	0	0	0	0	114	G141 G147	G141-G143 PolarHBondContact O-N 3.16Å; G143-G147 WeakPolarHBondContact O-CA 3.48Å; G143-G147 PolarHBondContact O-N 3.45Å
144	E	76.6	Confident	71.8	Confident	34 Å²	34	51.2 Å²	51.2	16%	0.159	26%	0.259	C	S	.	.	H	α-helix	trans	-77.2	-35.2	176.4	-171.4	176.5	170.9	0	0	111.8	C117 R118 A140 G141 W142 R148	C117-E144 VanDerWaalsContact CA-OE1 3.27Å; C117-E144 WeakPolarHBondContact CA-OE1 3.3Å; C117-E144 PolarHBondContact SG-OE2 3.2Å; R118-E144 PolarHBondContact N-OE1 3.46Å; A140-E144 HydrophobicContact CB-CB 4.3Å; A140-E144 HydrophobicContact CB-CG 4.28Å; G141-E144 PolarHBondContact O-N 2.74Å; G141-E144 VanDerWaalsContact O-N 3.16Å; W142-E144 VanDerWaalsContact C-N 3.27Å; W142-E144 PolarHBondContact O-N 2.73Å; E144-R148 WeakPolarHBondContact O-CG 3.42Å; E144-R148 PolarHBondContact O-N 2.87Å; E144-R148 IonicContact OE1-CZ 2.7Å; E144-R148 IonicContact OE1-NH1 3.81Å; E144-R148 PolarHBondContact OE1-NH1 3.27Å; E144-R148 IonicContact OE1-NH2 3.69Å; E144-R148 PolarHBondContact OE1-NH2 3.2Å
145	L	75.1	Confident	68.7	Low	3 Å²	3	58 Å²	58	2%	0.016	29%	0.289	C	S	.	.	H	α-helix	trans	-72.5	-45.6	175.7	-172.2	61.9	0	0	0	111.4	M114 G141 W142 R148 T149 L183 F184 V187	M114-L145 HydrophobicContact CB-CD1 4.22Å; G141-L145 PolarHBondContact O-N 3.25Å; W142-L145 PolarHBondContact O-N 2.81Å; W142-L145 VanDerWaalsContact O-N 3.16Å; L145-R148 PolarHBondContact O-N 2.9Å; L145-T149 WeakPolarHBondContact O-CB 3.27Å; L145-T149 PolarHBondContact O-N 3.11Å; L145-T149 PolarHBondContact O-OG1 3.4Å; L145-L183 HydrophobicContact CD2-CD2 4.16Å; L145-L183 HydrophobicContact CD2-CG 4.21Å; L145-F184 HydrophobicContact CD2-CD2 3.89Å; L145-F184 HydrophobicContact CD2-CE2 3.58Å; L145-F184 HydrophobicContact CD2-CZ 4.03Å; L145-V187 HydrophobicContact CD1-CG1 4.44Å; L145-V187 HydrophobicContact CD1-CG2 4.46Å
146	Y	66.4	Low	65.6	Low	96 Å²	96	61.8 Å²	61.8	38%	0.376	32%	0.316	S	S	.	.	H	α-helix	trans	-72.8	-39.3	-179.6	-87.2	-114.6	0	0	0	112.4	W142 R148 T149 G150 L183	W142-Y146 AromaticContact CE3-CD2 3.83Å; W142-Y146 HydrophobicContact CE3-CD2 3.83Å; W142-Y146 AromaticContact CE3-CE2 3.59Å; W142-Y146 HydrophobicContact CE3-CE2 3.59Å; W142-Y146 HydrophobicContact CH2-CE2 4.46Å; W142-Y146 HydrophobicContact CZ3-CD2 4.05Å; W142-Y146 AromaticContact CZ3-CE2 3.31Å; W142-Y146 HydrophobicContact CZ3-CE2 3.31Å; W142-Y146 AromaticContact CZ3-CZ 3.8Å; W142-Y146 PolarHBondContact O-N 3.2Å; Y146-R148 PolarHBondContact O-N 2.79Å; Y146-T149 PolarHBondContact O-N 3.23Å; Y146-G150 PolarHBondContact O-N 3.34Å; Y146-L183 HydrophobicContact CE2-CD2 3.76Å
147	G	61.6	Low	62.3	Low	43 Å²	43	65.1 Å²	65.1	44%	0.443	35%	0.35	S	S	.	.	H	α-helix	trans	-58.3	-30.4	172.5	0	0	0	0	0	113.1	G143 Y151	G143-G147 WeakPolarHBondContact O-CA 3.48Å; G143-G147 PolarHBondContact O-N 3.45Å; G147-Y151 WeakPolarHBondContact O-CB 3.27Å
148	R	65.4	Low	59.3	Low	64 Å²	64	69.1 Å²	69.1	24%	0.242	39%	0.392	C	S	.	.	H	α-helix	trans	-80.9	-45.7	171.5	-74.3	-171.1	-179.6	110.3	25.2	113.4	M114 E144 L145 Y146 Y151 N152	M114-R148 HydrophobicContact SD-CB 4.09Å; M114-R148 VanDerWaalsContact SD-CD 3.52Å; M114-R148 HydrophobicContact SD-CG 4.44Å; E144-R148 WeakPolarHBondContact O-CG 3.42Å; E144-R148 PolarHBondContact O-N 2.87Å; E144-R148 IonicContact OE1-CZ 2.7Å; E144-R148 IonicContact OE1-NH1 3.81Å; E144-R148 PolarHBondContact OE1-NH1 3.27Å; E144-R148 IonicContact OE1-NH2 3.69Å; E144-R148 PolarHBondContact OE1-NH2 3.2Å; L145-R148 PolarHBondContact O-N 2.9Å; Y146-R148 PolarHBondContact O-N 2.79Å; R148-Y151 PolarHBondContact O-N 3.12Å; R148-N152 VanDerWaalsContact O-CG 3.32Å; R148-N152 PolarHBondContact O-N 3.42Å; R148-N152 PolarHBondContact O-ND2 2.93Å
149	T	55	Low	56.3	Low	57 Å²	57	74.6 Å²	74.6	35%	0.35	43%	0.43	S	S	.	.	H	α-helix	trans	-65.4	-41.9	-176.8	-57.2	0	0	0	0	111.3	L145 Y146 N152 Y153	L145-T149 WeakPolarHBondContact O-CB 3.27Å; L145-T149 PolarHBondContact O-N 3.11Å; L145-T149 PolarHBondContact O-OG1 3.4Å; Y146-T149 PolarHBondContact O-N 3.23Å; T149-N152 PolarHBondContact O-N 3.41Å; T149-Y153 WeakPolarHBondContact O-CB 3.33Å; T149-Y153 PolarHBondContact O-N 3.28Å
150	G	50	Low	53.2	Low	30 Å²	30	82 Å²	82	31%	0.309	47%	0.47	S	S	.	.	H	α-helix	trans	-63.5	-43.1	173.9	0	0	0	0	0	113	Y146 N152 Y153 I154	Y146-G150 PolarHBondContact O-N 3.34Å; G150-N152 PolarHBondContact O-N 3.3Å; G150-Y153 PolarHBondContact O-N 2.92Å; G150-I154 WeakPolarHBondContact O-CB 3.39Å; G150-I154 VanDerWaalsContact O-CG1 3.29Å; G150-I154 WeakPolarHBondContact O-CG1 3.28Å; G150-I154 PolarHBondContact O-N 3Å
151	Y	42.5	Very low	50.7	Low	157 Å²	157	89 Å²	89	62%	0.616	51%	0.507	S	S	*	.	H	α-helix	trans	-62.3	-41.8	173.6	-109.6	-86.3	0	0	0	112.3	G147 R148 I154 F155	G147-Y151 WeakPolarHBondContact O-CB 3.27Å; R148-Y151 PolarHBondContact O-N 3.12Å; Y151-I154 PolarHBondContact O-N 3.05Å; Y151-F155 AromaticContact CD1-CD2 3.42Å; Y151-F155 HydrophobicContact CD1-CD2 3.42Å; Y151-F155 VanDerWaalsContact CD1-CD2 3.42Å; Y151-F155 AromaticContact CD1-CE2 3.56Å; Y151-F155 HydrophobicContact CD1-CE2 3.56Å; Y151-F155 HydrophobicContact CD1-CG 4.36Å; Y151-F155 AromaticContact CE1-CD2 3.72Å; Y151-F155 HydrophobicContact CE1-CD2 3.72Å; Y151-F155 AromaticContact CE1-CE2 3.36Å; Y151-F155 HydrophobicContact CE1-CE2 3.36Å; Y151-F155 HydrophobicContact CE1-CZ 4.06Å; Y151-F155 HydrophobicContact CG-CD2 4.3Å; Y151-F155 HydrophobicContact CG-CE2 4.46Å; Y151-F155 WeakPolarHBondContact O-CB 3.48Å; Y151-F155 WeakPolarHBondContact O-CD2 3.34Å; Y151-F155 PolarHBondContact O-N 2.91Å
152	N	41.8	Very low	48.3	Very low	85 Å²	85	95.2 Å²	95.2	46%	0.455	54%	0.543	S	S	.	.	H	α-helix	trans	-64.6	-40.6	175.8	-70.2	-25.7	0	0	0	111.4	R148 T149 G150 S156	R148-N152 VanDerWaalsContact O-CG 3.32Å; R148-N152 PolarHBondContact O-N 3.42Å; R148-N152 PolarHBondContact O-ND2 2.93Å; T149-N152 PolarHBondContact O-N 3.41Å; G150-N152 PolarHBondContact O-N 3.3Å; N152-S156 WeakPolarHBondContact O-CB 3.43Å; N152-S156 PolarHBondContact O-N 2.62Å; N152-S156 PolarHBondContact O-OG 2.88Å
153	Y	37.9	Very low	46.4	Very low	210 Å²	210	95.2 Å²	95.2	82%	0.824	56%	0.559	S	S	*	*	H	α-helix	trans	-64	-41.5	177.4	-169.3	-100.8	0	0	0	112.7	T149 G150	T149-Y153 WeakPolarHBondContact O-CB 3.33Å; T149-Y153 PolarHBondContact O-N 3.28Å; G150-Y153 PolarHBondContact O-N 2.92Å
154	I	40.7	Very low	44.5	Very low	124 Å²	124	99.7 Å²	99.7	64%	0.636	58%	0.577	S	S	*	*	H	α-helix	trans	-79.1	-29.9	-177.1	-65	166.2	0	0	0	112.4	G150 Y151	G150-I154 WeakPolarHBondContact O-CB 3.39Å; G150-I154 VanDerWaalsContact O-CG1 3.29Å; G150-I154 WeakPolarHBondContact O-CG1 3.28Å; G150-I154 PolarHBondContact O-N 3Å; Y151-I154 PolarHBondContact O-N 3.05Å
155	F	34.2	Very low	42.2	Very low	142 Å²	142	106.2 Å²	106.2	62%	0.623	61%	0.608	S	S	*	*	H	α-helix	trans	-114	-9.3	-172.7	-68.5	-88.2	0	0	0	115.9	Y151 G157	Y151-F155 AromaticContact CD1-CD2 3.42Å; Y151-F155 HydrophobicContact CD1-CD2 3.42Å; Y151-F155 VanDerWaalsContact CD1-CD2 3.42Å; Y151-F155 AromaticContact CD1-CE2 3.56Å; Y151-F155 HydrophobicContact CD1-CE2 3.56Å; Y151-F155 HydrophobicContact CD1-CG 4.36Å; Y151-F155 AromaticContact CE1-CD2 3.72Å; Y151-F155 HydrophobicContact CE1-CD2 3.72Å; Y151-F155 AromaticContact CE1-CE2 3.36Å; Y151-F155 HydrophobicContact CE1-CE2 3.36Å; Y151-F155 HydrophobicContact CE1-CZ 4.06Å; Y151-F155 HydrophobicContact CG-CD2 4.3Å; Y151-F155 HydrophobicContact CG-CE2 4.46Å; Y151-F155 WeakPolarHBondContact O-CB 3.48Å; Y151-F155 WeakPolarHBondContact O-CD2 3.34Å; Y151-F155 PolarHBondContact O-N 2.91Å; F155-G157 VanDerWaalsContact C-N 3.27Å; F155-G157 PolarHBondContact O-N 2.83Å; F155-G157 VanDerWaalsContact O-N 3.07Å
156	S	33.8	Very low	40.3	Very low	83 Å²	83	111.7 Å²	111.7	58%	0.58	64%	0.643	S	S	*	*	S	Bend	trans	-86.2	70.6	173.2	-53.1	0	0	0	0	110	N152 G158	N152-S156 WeakPolarHBondContact O-CB 3.43Å; N152-S156 PolarHBondContact O-N 2.62Å; N152-S156 PolarHBondContact O-OG 2.88Å; S156-G158 PolarHBondContact O-N 3.21Å
157	G	28.4	Very low	38.8	Very low	70 Å²	70	115.5 Å²	115.5	72%	0.722	67%	0.665	S	S	*	*			trans	-29.7	120.8	-167.9	0	0	0	0	0	115.6	F155 S159	F155-G157 VanDerWaalsContact C-N 3.27Å; F155-G157 PolarHBondContact O-N 2.83Å; F155-G157 VanDerWaalsContact O-N 3.07Å; G157-S159 PolarHBondContact O-N 3.37Å
158	G	34.1	Very low	37.9	Very low	85 Å²	85	122.7 Å²	122.7	88%	0.876	69%	0.687	S	S	*	*			trans	-60.1	130.4	-163.8	0	0	0	0	0	115.1	S156	S156-G158 PolarHBondContact O-N 3.21Å
159	S	31.2	Very low	36.6	Very low	115 Å²	115	125.1 Å²	125.1	80%	0.804	71%	0.709	S	S	*	*			trans	-153	76.1	164.3	67.8	0	0	0	0	110.7	G157	G157-S159 PolarHBondContact O-N 3.37Å
160	D	28.5	Very low	35.8	Very low	160 Å²	160	127.6 Å²	127.6	86%	0.856	73%	0.726	S	S	*	*	S	Bend		-163.4	160.9	109.9	-145	-16.4	0	0	0	109.9
161	D	37.4	Very low	35.8	Very low	147 Å²	147	135.9 Å²	135.9	79%	0.786	76%	0.756	S	S	*	*			trans	-75.3	130	-169.4	-77.6	-43.7	0	0	0	114.2
162	T	33.3	Very low	36	Very low	137 Å²	137	135 Å²	135	84%	0.84	76%	0.762	S	S	*	*				179.4	153.7	120.1	24.1	0	0	0	0	114.8
163	C	30.8	Very low	36.1	Very low	111 Å²	111	134.9 Å²	134.9	75%	0.75	76%	0.762	S	S	*	*			trans	76.5	101.8	158.5	-76.1	0	0	0	0	121.7
164	T	30.5	Very low	36.5	Very low	141 Å²	141	129.8 Å²	129.8	87%	0.865	75%	0.754	S	S	*	*			trans	71.4	148	132	37.2	0	0	0	0	122.4
165	E	28.6	Very low	36.9	Very low	170 Å²	170	126.8 Å²	126.8	79%	0.794	75%	0.748	S	S	*	*			trans	-58.8	154.7	173.9	-64.8	-67.2	129.5	0	0	113.3	E167	E165-E167 PolarHBondContact O-N 3.46Å
166	P	34.7	Very low	37.7	Very low	118 Å²	118	123.9 Å²	123.9	77%	0.766	74%	0.742	S	S	*	*			trans	-79.7	92.8	175.9	32.9	-34.2	0	0	0	111.9
167	E	33.9	Very low	38.5	Very low	177 Å²	177	128.2 Å²	128.2	83%	0.827	75%	0.745	S	S	*	*			trans	-70.3	146.5	163	-73.9	-158.3	133.8	0	0	111.7	E165 V169	E165-E167 PolarHBondContact O-N 3.46Å; E167-V169 PolarHBondContact O-N 3.19Å
168	E	42.8	Very low	39.8	Very low	193 Å²	193	129.6 Å²	129.6	90%	0.902	74%	0.736	S	S	*	*			trans	-74.7	104.8	-179.3	-61.5	-175.9	141.9	0	0	110.7	P170	E168-P170 WeakPolarHBondContact O-CD 3.37Å
169	V	37.8	Very low	41	Very low	116 Å²	116	127.4 Å²	127.4	70%	0.703	71%	0.713	S	S	*	*			trans	-77.9	124.6	-174.5	-176.5	0	0	0	0	112	E167	E167-V169 PolarHBondContact O-N 3.19Å
170	P	39.8	Very low	42.4	Very low	109 Å²	109	124.6 Å²	124.6	71%	0.708	69%	0.688	S	S	*	*			trans	-70.3	147.2	171.1	-17.9	32.7	0	0	0	112.9	E168 D172	E168-P170 WeakPolarHBondContact O-CD 3.37Å; P170-D172 VanDerWaalsContact C-N 3.27Å; P170-D172 PolarHBondContact O-N 2.74Å
171	E	48.9	Very low	44.2	Very low	204 Å²	204	119.8 Å²	119.8	95%	0.953	67%	0.667	S	S	*	*	S	Bend	trans	-68.3	1.7	-165.5	-69.3	-165.2	116.3	0	0	118.2
172	D	46.4	Very low	46.1	Very low	137 Å²	137	118.2 Å²	118.2	73%	0.733	66%	0.655	S	S	*	*			trans	-131.7	45.7	-166.8	-112.4	-32.3	0	0	0	115.2	P170	P170-D172 VanDerWaalsContact C-N 3.27Å; P170-D172 PolarHBondContact O-N 2.74Å
173	D	43.8	Very low	48.2	Very low	84 Å²	84	113.9 Å²	113.9	45%	0.449	63%	0.626	S	S	.	*			trans	-91.9	118.9	170.2	-171.2	-16.4	0	0	0	112.6	A175 V176	D173-A175 PolarHBondContact O-N 2.79Å; D173-A175 WeakPolarHBondContact OD1-CB 3.39Å; D173-A175 PolarHBondContact OD1-N 3.26Å; D173-V176 HydrophobicContact CB-CG2 4.37Å; D173-V176 PolarHBondContact O-N 3.11Å
174	P	47.2	Very low	50.5	Low	102 Å²	102	109.5 Å²	109.5	66%	0.662	59%	0.594	S	S	*	*	H	α-helix	trans	-63.2	-16.7	175.8	27.4	-36.1	0	0	0	114.9	V176 R177 N178	P174-V176 VanDerWaalsContact C-N 3.3Å; P174-V176 PolarHBondContact O-N 2.83Å; P174-R177 PolarHBondContact O-N 3.41Å; P174-N178 PolarHBondContact O-N 2.91Å
175	A	48.6	Very low	53.1	Low	61 Å²	61	105.9 Å²	105.9	50%	0.504	57%	0.57	S	S	.	*	H	α-helix	trans	-61.9	-37.5	174.4	0	0	0	0	0	112.2	D173 N178 G179	D173-A175 PolarHBondContact O-N 2.79Å; D173-A175 WeakPolarHBondContact OD1-CB 3.39Å; D173-A175 PolarHBondContact OD1-N 3.26Å; A175-N178 WeakPolarHBondContact O-CB 3.33Å; A175-N178 PolarHBondContact O-N 3.42Å; A175-G179 PolarHBondContact O-N 3.25Å
176	V	51.7	Low	56	Low	81 Å²	81	104.5 Å²	104.5	49%	0.491	56%	0.561	S	S	.	*	H	α-helix	trans	-61.7	-49.5	179.4	-178.4	0	0	0	0	110.3	D173 P174 N178 G179 E180	D173-V176 HydrophobicContact CB-CG2 4.37Å; D173-V176 PolarHBondContact O-N 3.11Å; P174-V176 VanDerWaalsContact C-N 3.3Å; P174-V176 PolarHBondContact O-N 2.83Å; V176-N178 PolarHBondContact O-N 3.32Å; V176-N178 VanDerWaalsContact O-N 3.1Å; V176-G179 PolarHBondContact O-N 2.92Å; V176-E180 HydrophobicContact CG1-CG 4.38Å; V176-E180 WeakPolarHBondContact O-CB 3.02Å; V176-E180 WeakPolarHBondContact O-CG 3.25Å; V176-E180 PolarHBondContact O-N 3.16Å
177	R	49.8	Very low	58.7	Low	174 Å²	174	99.5 Å²	99.5	66%	0.657	53%	0.528	S	S	*	.	H	α-helix	trans	-59.3	-23.5	177.8	-69.9	-169.7	-173.2	167.3	10.9	114.1	P174 S181	P174-R177 PolarHBondContact O-N 3.41Å; R177-S181 PolarHBondContact O-N 2.95Å
178	N	55.2	Low	61.4	Low	99 Å²	99	91.2 Å²	91.2	53%	0.529	49%	0.49	S	S	.	.	H	α-helix	trans	-77.9	-48.2	176.6	-166.2	-0.4	0	0	0	111.4	P174 A175 V176 E180 S181 Q182	P174-N178 PolarHBondContact O-N 2.91Å; A175-N178 WeakPolarHBondContact O-CB 3.33Å; A175-N178 PolarHBondContact O-N 3.42Å; V176-N178 PolarHBondContact O-N 3.32Å; V176-N178 VanDerWaalsContact O-N 3.1Å; N178-E180 VanDerWaalsContact C-N 3.26Å; N178-E180 PolarHBondContact O-N 2.85Å; N178-S181 PolarHBondContact O-N 3.37Å; N178-Q182 WeakPolarHBondContact O-CG 3.33Å; N178-Q182 PolarHBondContact O-N 2.97Å; N178-Q182 PolarHBondContact O-NE2 3.11Å; N178-Q182 PolarHBondContact OD1-NE2 2.8Å
179	G	60.4	Low	63.9	Low	39 Å²	39	83 Å²	83	40%	0.402	46%	0.457	S	S	.	.	H	α-helix	trans	-61.3	-35.6	173.6	0	0	0	0	0	112.9	A175 V176 Q182 L183	A175-G179 PolarHBondContact O-N 3.25Å; V176-G179 PolarHBondContact O-N 2.92Å; G179-Q182 PolarHBondContact O-N 3.42Å; G179-L183 PolarHBondContact O-N 2.89Å
180	E	60.6	Low	66.7	Low	57 Å²	57	79.1 Å²	79.1	27%	0.266	43%	0.431	S	S	.	.	H	α-helix	trans	-53.5	-52.6	172.5	-86	-170.5	162	0	0	113.5	W142 V176 N178 L183 F184	W142-E180 HydrophobicContact CH2-CB 3.51Å; W142-E180 HydrophobicContact CH2-CG 3.74Å; W142-E180 HydrophobicContact CZ2-CB 4.47Å; W142-E180 HydrophobicContact CZ3-CB 4Å; W142-E180 HydrophobicContact CZ3-CG 3.69Å; V176-E180 HydrophobicContact CG1-CG 4.38Å; V176-E180 WeakPolarHBondContact O-CB 3.02Å; V176-E180 WeakPolarHBondContact O-CG 3.25Å; V176-E180 PolarHBondContact O-N 3.16Å; N178-E180 VanDerWaalsContact C-N 3.26Å; N178-E180 PolarHBondContact O-N 2.85Å; E180-L183 PolarHBondContact O-N 2.91Å; E180-F184 PolarHBondContact O-N 3.37Å
181	S	66.8	Low	69.4	Low	59 Å²	59	74 Å²	74	41%	0.413	40%	0.397	S	S	.	.	H	α-helix	trans	-62.9	-46.4	177.7	-165.6	0	0	0	0	110.8	R177 N178 L183 F184 D185	R177-S181 PolarHBondContact O-N 2.95Å; N178-S181 PolarHBondContact O-N 3.37Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 3.47Å; S181-F184 CarbonylContact O-C 3.53Å; S181-F184 WeakPolarHBondContact O-CA 3.44Å; S181-F184 WeakPolarHBondContact O-CB 3.05Å; S181-F184 PolarHBondContact O-N 2.64Å; S181-D185 PolarHBondContact O-N 3.29Å; S181-D185 PolarHBondContact OG-OD2 3.5Å
182	Q	76.1	Confident	71.7	Confident	114 Å²	114	65 Å²	65	53%	0.533	36%	0.356	S	S	.	.	H	α-helix	trans	-59	-37.4	-177.8	-65.9	172.6	38.1	0	0	112.5	N178 G179 K186	N178-Q182 WeakPolarHBondContact O-CG 3.33Å; N178-Q182 PolarHBondContact O-N 2.97Å; N178-Q182 PolarHBondContact O-NE2 3.11Å; N178-Q182 PolarHBondContact OD1-NE2 2.8Å; G179-Q182 PolarHBondContact O-N 3.42Å; Q182-K186 VanDerWaalsContact O-CB 3.23Å; Q182-K186 WeakPolarHBondContact O-CB 3.34Å; Q182-K186 PolarHBondContact O-N 3.25Å
183	L	77.4	Confident	74.2	Confident	45 Å²	45	64.2 Å²	64.2	24%	0.236	35%	0.346	C	S	.	.	H	α-helix	trans	-63.6	-46	173.5	179.2	62.3	0	0	0	111.5	L145 Y146 G179 E180 S181 K186 V187	L145-L183 HydrophobicContact CD2-CD2 4.16Å; L145-L183 HydrophobicContact CD2-CG 4.21Å; Y146-L183 HydrophobicContact CE2-CD2 3.76Å; G179-L183 PolarHBondContact O-N 2.89Å; E180-L183 PolarHBondContact O-N 2.91Å; S181-L183 VanDerWaalsContact C-N 3.28Å; S181-L183 PolarHBondContact O-N 3.47Å; L183-K186 PolarHBondContact O-N 3.16Å; L183-V187 HydrophobicContact CD1-CG2 4.12Å; L183-V187 WeakPolarHBondContact O-CB 3.32Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.35Å; L183-V187 PolarHBondContact O-N 2.86Å
184	F	79.3	Confident	76.7	Confident	20 Å²	20	60.2 Å²	60.2	9%	0.088	32%	0.324	C	S	.	.	H	α-helix	trans	-62.5	-47.1	175.6	-99.6	-99.6	0	0	0	111.6	W142 L145 E180 S181 K186 V187 R188	W142-F184 HydrophobicContact CD2-CD2 4.44Å; W142-F184 AromaticContact CD2-CE2 3.54Å; W142-F184 HydrophobicContact CD2-CE2 3.54Å; W142-F184 HydrophobicContact CD2-CZ 4.04Å; W142-F184 AromaticContact CE2-CD2 3.94Å; W142-F184 AromaticContact CE2-CE2 3.35Å; W142-F184 AromaticContact CE2-CZ 3.83Å; W142-F184 AromaticContact CE3-CE2 3.76Å; W142-F184 HydrophobicContact CE3-CE2 3.76Å; W142-F184 HydrophobicContact CG-CE2 4.19Å; W142-F184 HydrophobicContact CG-CZ 4.22Å; W142-F184 AromaticContact CH2-CD2 3.41Å; W142-F184 HydrophobicContact CH2-CD2 3.41Å; W142-F184 VanDerWaalsContact CH2-CD2 3.41Å; W142-F184 AromaticContact CH2-CE2 3.48Å; W142-F184 HydrophobicContact CH2-CE2 3.48Å; W142-F184 VanDerWaalsContact CH2-CE2 3.48Å; W142-F184 AromaticContact CZ2-CD2 3.39Å; W142-F184 HydrophobicContact CZ2-CD2 3.39Å; W142-F184 AromaticContact CZ2-CE2 3.33Å; W142-F184 HydrophobicContact CZ2-CE2 3.33Å; W142-F184 HydrophobicContact CZ2-CG 4.27Å; W142-F184 HydrophobicContact CZ2-CZ 4.15Å; W142-F184 HydrophobicContact CZ3-CD2 4.04Å; W142-F184 AromaticContact CZ3-CE2 3.74Å; W142-F184 HydrophobicContact CZ3-CE2 3.74Å; W142-F184 AromaticContact NE1-CE2 3.99Å; W142-F184 AromaticContact NE1-CZ 3.99Å; L145-F184 HydrophobicContact CD2-CD2 3.89Å; L145-F184 HydrophobicContact CD2-CE2 3.58Å; L145-F184 HydrophobicContact CD2-CZ 4.03Å; E180-F184 PolarHBondContact O-N 3.37Å; S181-F184 CarbonylContact O-C 3.53Å; S181-F184 WeakPolarHBondContact O-CA 3.44Å; S181-F184 WeakPolarHBondContact O-CB 3.05Å; S181-F184 PolarHBondContact O-N 2.64Å; F184-K186 VanDerWaalsContact C-N 3.32Å; F184-K186 PolarHBondContact O-N 3.39Å; F184-V187 PolarHBondContact O-N 3.46Å; F184-R188 HydrophobicContact CD1-CG 4.32Å; F184-R188 WeakPolarHBondContact O-CB 3.28Å; F184-R188 WeakPolarHBondContact O-CG 3.31Å; F184-R188 PolarHBondContact O-N 3.15Å
185	D	85.6	Confident	79.2	Confident	65 Å²	65	55.3 Å²	55.3	35%	0.348	29%	0.293	S	S	.	.	H	α-helix	trans	-62	-39.4	-179.8	-66.4	-44.8	0	0	0	112	S181 G189 R230	S181-D185 PolarHBondContact O-N 3.29Å; S181-D185 PolarHBondContact OG-OD2 3.5Å; D185-G189 WeakPolarHBondContact O-CA 3.2Å; D185-G189 PolarHBondContact O-N 3.27Å; D185-R230 WeakPolarHBondContact OD1-CD 3.22Å; D185-R230 IonicContact OD1-CZ 2.83Å; D185-R230 IonicContact OD1-NE 4Å; D185-R230 IonicContact OD1-NH1 2.68Å; D185-R230 PolarHBondContact OD1-NH1 2.92Å
186	K	89.4	Confident	81.5	Confident	140 Å²	140	59.1 Å²	59.1	61%	0.609	29%	0.294	S	S	*	.	H	α-helix	trans	-62	-52.9	172.2	-175.5	178	-177.7	179.4	0	111.9	Q182 L183 F184 G189 H190	Q182-K186 VanDerWaalsContact O-CB 3.23Å; Q182-K186 WeakPolarHBondContact O-CB 3.34Å; Q182-K186 PolarHBondContact O-N 3.25Å; L183-K186 PolarHBondContact O-N 3.16Å; F184-K186 VanDerWaalsContact C-N 3.32Å; F184-K186 PolarHBondContact O-N 3.39Å; K186-G189 PolarHBondContact O-N 3.41Å; K186-H190 PolarHBondContact O-CD2 3.03Å; K186-H190 PolarHBondContact O-N 3.25Å
187	V	90.4	Very high	83.6	Confident	14 Å²	14	58.4 Å²	58.4	9%	0.085	28%	0.283	C	S	.	.	H	α-helix	trans	-67.3	-43.8	-176.2	169.5	0	0	0	0	111.9	M114 A115 L145 L183 F184 H190 D191	M114-V187 HydrophobicContact CB-CG1 4.44Å; A115-V187 VanDerWaalsContact CA-CG1 3.43Å; A115-V187 HydrophobicContact CB-CG1 3.73Å; L145-V187 HydrophobicContact CD1-CG1 4.44Å; L145-V187 HydrophobicContact CD1-CG2 4.46Å; L183-V187 HydrophobicContact CD1-CG2 4.12Å; L183-V187 WeakPolarHBondContact O-CB 3.32Å; L183-V187 VanDerWaalsContact O-CG2 3.3Å; L183-V187 WeakPolarHBondContact O-CG2 3.35Å; L183-V187 PolarHBondContact O-N 2.86Å; F184-V187 PolarHBondContact O-N 3.46Å; V187-H190 PolarHBondContact O-N 3.27Å; V187-D191 PolarHBondContact O-N 2.75Å
188	R	92.5	Very high	85.8	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.011	25%	0.252	C	S	.	.	H	α-helix	trans	-65.5	-40.4	175.2	-59.2	-88.2	148.8	-106.8	-8.3	110.3	A115 A140 F184 H190 D191 I192 Y231	A115-R188 VanDerWaalsContact O-CZ 3.26Å; A115-R188 PolarHBondContact O-NH1 3.45Å; A115-R188 PolarHBondContact O-NH2 3.16Å; A140-R188 PolarHBondContact O-NH2 3.48Å; F184-R188 HydrophobicContact CD1-CG 4.32Å; F184-R188 WeakPolarHBondContact O-CB 3.28Å; F184-R188 WeakPolarHBondContact O-CG 3.31Å; F184-R188 PolarHBondContact O-N 3.15Å; R188-H190 VanDerWaalsContact C-N 3.27Å; R188-H190 PolarHBondContact O-N 3.45Å; R188-D191 WeakPolarHBondContact O-CB 3.37Å; R188-D191 PolarHBondContact O-N 3.28Å; R188-D191 VanDerWaalsContact O-N 3.16Å; R188-I192 WeakPolarHBondContact O-CD1 3.35Å; R188-I192 VanDerWaalsContact O-CG1 3.3Å; R188-I192 WeakPolarHBondContact O-CG1 3.46Å; R188-I192 PolarHBondContact O-N 2.87Å; R188-Y231 HydrophobicContact CB-CE2 4.47Å
189	G	94.9	Very high	87.7	Confident	21 Å²	21	48.6 Å²	48.6	22%	0.216	25%	0.249	C	C	.	.	H	α-helix	trans	-61.3	-29	174	0	0	0	0	0	114.2	D185 K186 K193	D185-G189 WeakPolarHBondContact O-CA 3.2Å; D185-G189 PolarHBondContact O-N 3.27Å; K186-G189 PolarHBondContact O-N 3.41Å; G189-K193 WeakPolarHBondContact O-CB 3.5Å; G189-K193 WeakPolarHBondContact O-CD 3.37Å; G189-K193 WeakPolarHBondContact O-CG 3.45Å; G189-K193 PolarHBondContact O-N 3.34Å; G189-K193 VanDerWaalsContact O-N 3.16Å
190	H	95.9	Very high	89.5	Confident	34 Å²	34	47 Å²	47	16%	0.157	23%	0.231	C	C	.	.	H	α-helix	trans	-74	-40.5	171.7	-71.2	-59.1	0	0	0	112.7	R111 K186 V187 R188 K193 L194	R111-H190 HydrophobicContact CB-CB 4.24Å; K186-H190 PolarHBondContact O-CD2 3.03Å; K186-H190 PolarHBondContact O-N 3.25Å; V187-H190 PolarHBondContact O-N 3.27Å; R188-H190 VanDerWaalsContact C-N 3.27Å; R188-H190 PolarHBondContact O-N 3.45Å; H190-K193 PolarHBondContact O-N 3.13Å; H190-L194 PolarHBondContact O-N 2.87Å
191	D	97.2	Very high	91.3	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-60.8	-46.3	173.4	-171.6	66.3	0	0	0	111.9	A115 R116 V187 R188 K193 L194 L195 Y231	A115-D191 HydrophobicContact CB-CB 3.64Å; R116-D191 WeakPolarHBondContact CD-OD1 3.33Å; R116-D191 IonicContact CZ-OD1 3.19Å; R116-D191 IonicContact CZ-OD2 3.77Å; R116-D191 IonicContact NE-OD1 2.66Å; R116-D191 PolarHBondContact NE-OD1 3.28Å; R116-D191 IonicContact NE-OD2 2.74Å; R116-D191 PolarHBondContact NE-OD2 2.96Å; R116-D191 IonicContact NH2-OD1 3.47Å; R116-D191 IonicContact NH2-OD2 2.91Å; R116-D191 PolarHBondContact NH2-OD2 3.3Å; V187-D191 PolarHBondContact O-N 2.75Å; R188-D191 WeakPolarHBondContact O-CB 3.37Å; R188-D191 PolarHBondContact O-N 3.28Å; R188-D191 VanDerWaalsContact O-N 3.16Å; D191-K193 VanDerWaalsContact C-N 3.31Å; D191-K193 PolarHBondContact O-N 3.36Å; D191-L194 PolarHBondContact O-N 2.69Å; D191-L194 VanDerWaalsContact O-N 3.15Å; D191-L195 WeakPolarHBondContact O-CG 3.17Å; D191-L195 PolarHBondContact O-N 2.99Å; D191-Y231 WeakPolarHBondContact OD2-CE1 3.4Å; D191-Y231 PolarHBondContact OD2-OH 3.06Å
192	I	97.4	Very high	92.8	Very high	15 Å²	15	46.4 Å²	46.4	8%	0.077	22%	0.217	C	C	.	.	H	α-helix	trans	-62.5	-36.4	177.1	-68.6	162	0	0	0	111.7	R188 R196 R230 Y231 F234	R188-I192 WeakPolarHBondContact O-CD1 3.35Å; R188-I192 VanDerWaalsContact O-CG1 3.3Å; R188-I192 WeakPolarHBondContact O-CG1 3.46Å; R188-I192 PolarHBondContact O-N 2.87Å; I192-R196 WeakPolarHBondContact O-CB 3.23Å; I192-R196 WeakPolarHBondContact O-CG 3.33Å; I192-R196 PolarHBondContact O-N 2.89Å; I192-R230 HydrophobicContact CD1-CB 3.69Å; I192-R230 VanDerWaalsContact CD1-O 3.26Å; I192-R230 WeakPolarHBondContact CD1-O 3.43Å; I192-Y231 HydrophobicContact CD1-CD2 4.45Å; I192-Y231 HydrophobicContact CD1-CE1 4.32Å; I192-Y231 HydrophobicContact CD1-CE2 4.2Å; I192-Y231 HydrophobicContact CG1-CD1 4.12Å; I192-Y231 HydrophobicContact CG1-CE1 3.73Å; I192-Y231 HydrophobicContact CG1-CE2 4.46Å; I192-F234 HydrophobicContact CB-CE2 4.47Å; I192-F234 HydrophobicContact CG1-CE2 4.09Å; I192-F234 HydrophobicContact CG2-CE2 4Å; I192-F234 HydrophobicContact CG2-CZ 4.05Å
193	K	97.7	Very high	93.8	Very high	121 Å²	121	41 Å²	41	53%	0.526	19%	0.192	S	C	.	.	H	α-helix	trans	-67.6	-38.5	174.1	-77	167.6	-175.5	175.2	0	112.4	L108 G189 H190 D191 Y197	L108-K193 HydrophobicContact CD2-CB 3.93Å; G189-K193 WeakPolarHBondContact O-CB 3.5Å; G189-K193 WeakPolarHBondContact O-CD 3.37Å; G189-K193 WeakPolarHBondContact O-CG 3.45Å; G189-K193 PolarHBondContact O-N 3.34Å; G189-K193 VanDerWaalsContact O-N 3.16Å; H190-K193 PolarHBondContact O-N 3.13Å; D191-K193 VanDerWaalsContact C-N 3.31Å; D191-K193 PolarHBondContact O-N 3.36Å; K193-Y197 WeakPolarHBondContact O-CB 3.37Å; K193-Y197 PolarHBondContact O-N 2.84Å; K193-Y197 VanDerWaalsContact O-N 3.07Å
194	L	97.6	Very high	94.8	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-68.8	-45.9	174.1	179	62.1	0	0	0	111.5	L105 L108 V109 S112 F121 V122 H190 D191 R196 Y197 L198	L105-L194 HydrophobicContact CD1-CD1 3.74Å; L108-L194 HydrophobicContact CB-CD1 4.08Å; V109-L194 HydrophobicContact CG2-CD1 3.91Å; V109-L194 HydrophobicContact CG2-CD2 4.05Å; S112-L194 VanDerWaalsContact OG-CD2 3.27Å; S112-L194 WeakPolarHBondContact OG-CD2 3.46Å; F121-L194 HydrophobicContact CB-CD2 4.24Å; F121-L194 HydrophobicContact CD2-CD2 4Å; V122-L194 HydrophobicContact CB-CD2 4.12Å; V122-L194 HydrophobicContact CB-CG 4.49Å; H190-L194 PolarHBondContact O-N 2.87Å; D191-L194 PolarHBondContact O-N 2.69Å; D191-L194 VanDerWaalsContact O-N 3.15Å; L194-R196 VanDerWaalsContact C-N 3.35Å; L194-R196 PolarHBondContact O-N 3.37Å; L194-Y197 PolarHBondContact O-N 3.42Å; L194-Y197 VanDerWaalsContact O-N 3.11Å; L194-L198 HydrophobicContact CD1-CD1 3.88Å; L194-L198 HydrophobicContact CD1-CG 4.03Å; L194-L198 HydrophobicContact CG-CD1 3.93Å; L194-L198 HydrophobicContact CG-CG 4.44Å; L194-L198 WeakPolarHBondContact O-CG 3.4Å; L194-L198 PolarHBondContact O-N 3.25Å
195	L	98.1	Very high	95.7	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.179	C	C	.	.	H	α-helix	trans	-52.1	-51.3	175.2	-80	163.3	0	0	0	111.7	V122 D191 Y197 L198 S199 V200 I203 Y231 F234 L319	V122-L195 HydrophobicContact CG1-CD2 4.07Å; V122-L195 HydrophobicContact CG2-CD2 3.89Å; V122-L195 HydrophobicContact CG2-CG 4.08Å; D191-L195 WeakPolarHBondContact O-CG 3.17Å; D191-L195 PolarHBondContact O-N 2.99Å; L195-Y197 VanDerWaalsContact C-N 3.35Å; L195-Y197 PolarHBondContact O-N 3.47Å; L195-L198 CarbonylContact O-C 3.54Å; L195-L198 PolarHBondContact O-N 3.24Å; L195-S199 PolarHBondContact O-N 3.17Å; L195-V200 HydrophobicContact CB-CB 4.45Å; L195-V200 HydrophobicContact CD2-CB 3.81Å; L195-V200 HydrophobicContact CD2-CG1 3.67Å; L195-V200 HydrophobicContact CD2-CG2 4.23Å; L195-V200 WeakPolarHBondContact O-CB 3.14Å; L195-V200 PolarHBondContact O-N 3.14Å; L195-I203 HydrophobicContact CD1-CD1 4.27Å; L195-I203 HydrophobicContact CD2-CD1 4.47Å; L195-Y231 HydrophobicContact CD1-CD1 4.24Å; L195-Y231 HydrophobicContact CD1-CE1 3.79Å; L195-F234 HydrophobicContact CB-CE1 3.64Å; L195-F234 HydrophobicContact CB-CZ 3.69Å; L195-F234 HydrophobicContact CD1-CE1 4.17Å; L195-F234 HydrophobicContact CD1-CE2 4.31Å; L195-F234 HydrophobicContact CD1-CZ 3.9Å; L195-F234 HydrophobicContact CG-CE1 4.38Å; L195-F234 HydrophobicContact CG-CZ 4.4Å; L195-L319 HydrophobicContact CD2-CB 4.49Å; L195-L319 HydrophobicContact CD2-CD2 3.97Å
196	R	97.1	Very high	96.3	Very high	141 Å²	141	35.1 Å²	35.1	53%	0.532	16%	0.162	S	C	.	.	H	α-helix	trans	-66.9	-31.2	178.2	-69.9	177.3	-177.7	175.3	2.5	113.3	I192 L194 S199 D233 F234	I192-R196 WeakPolarHBondContact O-CB 3.23Å; I192-R196 WeakPolarHBondContact O-CG 3.33Å; I192-R196 PolarHBondContact O-N 2.89Å; L194-R196 VanDerWaalsContact C-N 3.35Å; L194-R196 PolarHBondContact O-N 3.37Å; R196-S199 PolarHBondContact O-N 2.89Å; R196-D233 IonicContact CZ-OD2 3.5Å; R196-D233 IonicContact NH2-OD2 3.13Å; R196-D233 PolarHBondContact NH2-OD2 3.42Å; R196-F234 HydrophobicContact CG-CE1 4.32Å; R196-F234 HydrophobicContact CG-CZ 4.03Å
197	Y	95.9	Very high	96.6	Very high	65 Å²	65	28.4 Å²	28.4	26%	0.255	13%	0.133	S	C	.	.	H	α-helix	trans	-71	-31.7	175.1	-175.3	-86.6	0	0	0	112.4	Q101 K104 L105 L108 K193 L194 L195 S199	Q101-Y197 PolarHBondContact O-OH 3.15Å; K104-Y197 HydrophobicContact CD-CE2 4.01Å; K104-Y197 HydrophobicContact CG-CE2 4.23Å; L105-Y197 HydrophobicContact CB-CE1 3.79Å; L105-Y197 HydrophobicContact CD1-CD1 3.85Å; L105-Y197 HydrophobicContact CD1-CE1 3.81Å; L105-Y197 HydrophobicContact CD2-CE1 4.34Å; L105-Y197 HydrophobicContact CG-CE1 4.18Å; L108-Y197 HydrophobicContact CD1-CD1 4.1Å; L108-Y197 HydrophobicContact CD1-CD2 3.55Å; L108-Y197 HydrophobicContact CD1-CE2 4.21Å; L108-Y197 HydrophobicContact CD1-CG 3.48Å; L108-Y197 VanDerWaalsContact CD1-CG 3.48Å; K193-Y197 WeakPolarHBondContact O-CB 3.37Å; K193-Y197 PolarHBondContact O-N 2.84Å; K193-Y197 VanDerWaalsContact O-N 3.07Å; L194-Y197 PolarHBondContact O-N 3.42Å; L194-Y197 VanDerWaalsContact O-N 3.11Å; L195-Y197 VanDerWaalsContact C-N 3.35Å; L195-Y197 PolarHBondContact O-N 3.47Å; Y197-S199 PolarHBondContact O-N 3.01Å
198	L	95.8	Very high	96.8	Very high	1 Å²	1	28 Å²	28	1%	0.005	13%	0.13	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85	15.2	173	-62.7	173.7	0	0	0	112.9	F83 L105 V122 P124 L194 L195 V200	F83-L198 HydrophobicContact CD2-CD2 4.41Å; F83-L198 HydrophobicContact CE2-CD2 3.75Å; L105-L198 HydrophobicContact CD1-CD2 4.17Å; V122-L198 HydrophobicContact CB-CD1 4.34Å; V122-L198 HydrophobicContact CG1-CD1 3.83Å; V122-L198 WeakPolarHBondContact O-CD1 3.4Å; P124-L198 HydrophobicContact CG-CD2 4.04Å; L194-L198 HydrophobicContact CD1-CD1 3.88Å; L194-L198 HydrophobicContact CD1-CG 4.03Å; L194-L198 HydrophobicContact CG-CD1 3.93Å; L194-L198 HydrophobicContact CG-CG 4.44Å; L194-L198 WeakPolarHBondContact O-CG 3.4Å; L194-L198 PolarHBondContact O-N 3.25Å; L195-L198 CarbonylContact O-C 3.54Å; L195-L198 PolarHBondContact O-N 3.24Å; L198-V200 HydrophobicContact CB-CG2 4.02Å; L198-V200 PolarHBondContact O-N 2.82Å
199	S	96.5	Very high	96.8	Very high	67 Å²	67	28 Å²	28	47%	0.469	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	52.3	20.2	-175	-58.9	0	0	0	0	115.2	L195 R196 Y197 R201 G317	L195-S199 PolarHBondContact O-N 3.17Å; R196-S199 PolarHBondContact O-N 2.89Å; Y197-S199 PolarHBondContact O-N 3.01Å; S199-R201 PolarHBondContact O-N 2.84Å; S199-G317 PolarHBondContact O-N 3.27Å
200	V	98.1	Very high	96.6	Very high	6 Å²	6	28.3 Å²	28.3	4%	0.036	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	121.2	-176.7	178.5	0	0	0	0	110	C134 L195 L198 Y202 I203 F234 G317 L319	C134-V200 HydrophobicContact CB-CG2 4.3Å; L195-V200 HydrophobicContact CB-CB 4.45Å; L195-V200 HydrophobicContact CD2-CB 3.81Å; L195-V200 HydrophobicContact CD2-CG1 3.67Å; L195-V200 HydrophobicContact CD2-CG2 4.23Å; L195-V200 WeakPolarHBondContact O-CB 3.14Å; L195-V200 PolarHBondContact O-N 3.14Å; L198-V200 HydrophobicContact CB-CG2 4.02Å; L198-V200 PolarHBondContact O-N 2.82Å; V200-Y202 WeakPolarHBondContact CG1-O 3.49Å; V200-I203 HydrophobicContact CG1-CG1 4.42Å; V200-F234 VanDerWaalsContact O-CD1 3.31Å; V200-F234 WeakPolarHBondContact O-CD1 3.42Å; V200-F234 WeakPolarHBondContact O-CE1 3.41Å; V200-G317 WeakPolarHBondContact CA-O 3.33Å; V200-L319 HydrophobicContact CG1-CB 3.85Å
201	R	97.3	Very high	96.2	Very high	102 Å²	102	30.3 Å²	30.3	39%	0.385	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	-30.4	171.5	-166.8	-179.9	-175.8	-173.7	10.8	112.1	S199 T235 D314 S316 G317	S199-R201 PolarHBondContact O-N 2.84Å; R201-T235 PolarHBondContact O-N 3.31Å; R201-D314 IonicContact CZ-OD2 3.15Å; R201-D314 IonicContact NH1-OD2 2.69Å; R201-D314 PolarHBondContact NH1-OD2 3.11Å; R201-S316 WeakPolarHBondContact CB-OG 3.33Å; R201-S316 WeakPolarHBondContact CD-OG 3.43Å; R201-G317 PolarHBondContact N-O 3.34Å
202	Y	98.1	Very high	95.5	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	128.6	-173.5	-57.7	-63.5	0	0	0	110.4	V200 T235 R278 F279 I309 D314 S316 G317 L318 L319	V200-Y202 WeakPolarHBondContact CG1-O 3.49Å; Y202-T235 HydrophobicContact CD1-CG2 3.96Å; Y202-T235 HydrophobicContact CE1-CG2 4.08Å; Y202-R278 PolarHBondContact OH-NH1 2.96Å; Y202-R278 VanDerWaalsContact OH-NH1 3.15Å; Y202-F279 HydrophobicContact CD1-CE2 4.09Å; Y202-F279 HydrophobicContact CD1-CZ 4.11Å; Y202-F279 AromaticContact CE1-CE2 3.65Å; Y202-F279 HydrophobicContact CE1-CE2 3.65Å; Y202-F279 AromaticContact CE1-CZ 3.36Å; Y202-F279 HydrophobicContact CE1-CZ 3.36Å; Y202-F279 AromaticContact CZ-CZ 3.73Å; Y202-I309 HydrophobicContact CD1-CG2 4.08Å; Y202-I309 HydrophobicContact CD2-CG2 3.47Å; Y202-I309 VanDerWaalsContact CD2-CG2 3.47Å; Y202-I309 HydrophobicContact CE2-CG2 4Å; Y202-I309 HydrophobicContact CG-CG2 3.52Å; Y202-D314 PolarHBondContact OH-OD1 2.94Å; Y202-D314 PolarHBondContact OH-OD2 3.17Å; Y202-D314 VanDerWaalsContact OH-OD2 3.1Å; Y202-S316 VanDerWaalsContact CE2-CB 3.4Å; Y202-G317 PolarHBondContact N-O 2.94Å; Y202-G317 VanDerWaalsContact N-O 3.16Å; Y202-L318 CarbonylContact O-C 3.38Å; Y202-L318 WeakPolarHBondContact O-CA 3.4Å; Y202-L319 PolarHBondContact O-N 3.38Å
203	I	98.4	Very high	94.5	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.005	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	106.9	177.8	-58.7	-178.4	0	0	0	108.6	L195 V200 E223 Y231 F234 T235 L236 L237 L319 H321	L195-I203 HydrophobicContact CD1-CD1 4.27Å; L195-I203 HydrophobicContact CD2-CD1 4.47Å; V200-I203 HydrophobicContact CG1-CG1 4.42Å; I203-E223 HydrophobicContact CG2-CG 4.49Å; I203-Y231 HydrophobicContact CD1-CD1 4.28Å; I203-F234 HydrophobicContact CD1-CB 3.73Å; I203-F234 HydrophobicContact CD1-CD1 4.09Å; I203-F234 HydrophobicContact CD1-CD2 4.32Å; I203-F234 HydrophobicContact CD1-CG 3.79Å; I203-F234 HydrophobicContact CG1-CB 4.14Å; I203-F234 HydrophobicContact CG1-CG 4.47Å; I203-T235 PolarHBondContact N-O 3.37Å; I203-L236 HydrophobicContact CB-CD2 3.83Å; I203-L236 HydrophobicContact CD1-CD2 3.94Å; I203-L236 HydrophobicContact CG1-CD2 4.28Å; I203-L236 HydrophobicContact CG2-CD2 4.3Å; I203-L237 WeakPolarHBondContact O-CB 3.31Å; I203-L237 PolarHBondContact O-N 3.5Å; I203-L319 HydrophobicContact CG1-CB 4.45Å; I203-L319 HydrophobicContact CG1-CD2 4.46Å; I203-L319 HydrophobicContact CG2-CD2 4.16Å; I203-L319 HydrophobicContact CG2-CG 4.48Å; I203-H321 WeakPolarHBondContact CG2-NE2 3.22Å
204	C	98.4	Very high	93	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.007	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	106.5	175.7	166	0	0	0	0	110	V239 L306 L318 L319 V320 H321	C204-V239 WeakPolarHBondContact SG-CG2 3.33Å; C204-L306 HydrophobicContact CB-CD2 3.89Å; C204-L318 HydrophobicContact CB-CD1 4.06Å; C204-L319 WeakPolarHBondContact CB-O 3.39Å; C204-L319 PolarHBondContact N-O 3.49Å; C204-V320 HydrophobicContact CB-CG2 4.23Å; C204-H321 PolarHBondContact O-CD2 3.2Å; C204-H321 VanDerWaalsContact O-CD2 3.25Å; C204-H321 PolarHBondContact O-N 3.4Å
205	D	97.9	Very high	91.6	Very high	5 Å²	5	44 Å²	44	3%	0.027	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99	113.1	175.2	-177.7	15.9	0	0	0	111	M207 S222 K224 L237 V239 H321	D205-M207 VanDerWaalsContact C-N 3.31Å; D205-M207 WeakPolarHBondContact OD1-CB 3.19Å; D205-M207 WeakPolarHBondContact OD1-CG 3.41Å; D205-M207 PolarHBondContact OD1-N 3Å; D205-S222 VanDerWaalsContact OD2-CB 3.28Å; D205-S222 WeakPolarHBondContact OD2-CB 3.42Å; D205-S222 PolarHBondContact OD2-OG 2.88Å; D205-K224 WeakPolarHBondContact OD2-CD 3.49Å; D205-K224 WeakPolarHBondContact OD2-CE 3.48Å; D205-K224 IonicContact OD2-NZ 2.95Å; D205-K224 PolarHBondContact OD2-NZ 3.46Å; D205-L237 PolarHBondContact N-O 3.4Å; D205-V239 CarbonylContact O-C 3.48Å; D205-V239 WeakPolarHBondContact O-CG2 3.37Å; D205-V239 PolarHBondContact O-N 3.5Å; D205-H321 WeakPolarHBondContact CB-NE2 3.36Å; D205-H321 VanDerWaalsContact CG-CE1 3.45Å; D205-H321 IonicContact OD1-CE1 2.79Å; D205-H321 PolarHBondContact OD1-CE1 2.97Å; D205-H321 VanDerWaalsContact OD1-CE1 3.31Å; D205-H321 IonicContact OD1-ND1 3.81Å
206	L	98.1	Very high	90.1	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.234	C	C	.	.			trans	-86	3.1	179.1	-62.6	163.1	0	0	0	113.4	V239 Y241 V320 H321 C322 R328 F332	L206-V239 WeakPolarHBondContact CA-O 3.17Å; L206-V239 HydrophobicContact CD2-CG2 4.04Å; L206-Y241 PolarHBondContact O-N 2.94Å; L206-V320 HydrophobicContact CD1-CG1 3.7Å; L206-H321 WeakPolarHBondContact CB-O 3.38Å; L206-H321 WeakPolarHBondContact CG-O 3.26Å; L206-H321 PolarHBondContact N-O 3.4Å; L206-C322 HydrophobicContact CB-CB 4.26Å; L206-R328 HydrophobicContact CB-CB 4.28Å; L206-R328 HydrophobicContact CD1-CB 4.02Å; L206-R328 PolarHBondContact O-NH1 3.16Å; L206-F332 HydrophobicContact CD1-CD2 3.72Å; L206-F332 HydrophobicContact CD1-CE2 4.43Å; L206-F332 HydrophobicContact CD1-CG 4.47Å; L206-F332 HydrophobicContact CD2-CD2 3.72Å; L206-F332 HydrophobicContact CD2-CE2 3.74Å; L206-F332 HydrophobicContact CG-CD2 4.41Å
207	M	95.9	Very high	88.6	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	24%	0.238	C	C	.	.			trans	-71.4	129.9	-179.4	-69.4	170.7	48.6	0	0	112.6	T138 D205 E209 K224 I323	T138-M207 WeakPolarHBondContact CB-SD 3.38Å; T138-M207 HydrophobicContact CG2-CE 4.24Å; T138-M207 HydrophobicContact CG2-SD 3.57Å; T138-M207 VanDerWaalsContact CG2-SD 3.57Å; D205-M207 VanDerWaalsContact C-N 3.31Å; D205-M207 WeakPolarHBondContact OD1-CB 3.19Å; D205-M207 WeakPolarHBondContact OD1-CG 3.41Å; D205-M207 PolarHBondContact OD1-N 3Å; M207-E209 HydrophobicContact CB-CG 4.32Å; M207-E209 VanDerWaalsContact CB-O 3.28Å; M207-E209 WeakPolarHBondContact CB-O 3.34Å; M207-E209 HydrophobicContact CE-CG 3.75Å; M207-K224 PolarHBondContact O-NZ 3.11Å; M207-K224 VanDerWaalsContact O-NZ 3.12Å; M207-I323 HydrophobicContact CE-CG1 4.28Å; M207-I323 HydrophobicContact CG-CG1 3.74Å; M207-I323 HydrophobicContact SD-CB 4.48Å; M207-I323 HydrophobicContact SD-CG1 4.04Å
208	V	94.6	Very high	87.7	Confident	4 Å²	4	47 Å²	47	2%	0.024	25%	0.248	C	C	.	.	S	Bend	trans	-76.5	-17.8	170	-61.6	0	0	0	0	111.6	P240 Y241 F268 V269 D270 A271	V208-P240 HydrophobicContact CB-CB 4.36Å; V208-P240 HydrophobicContact CG1-CB 4.04Å; V208-Y241 WeakPolarHBondContact CG1-O 3.47Å; V208-F268 HydrophobicContact CG2-CD2 4.03Å; V208-F268 HydrophobicContact CG2-CE2 3.97Å; V208-V269 HydrophobicContact CB-CG1 4.4Å; V208-V269 HydrophobicContact CB-CG2 4.29Å; V208-V269 HydrophobicContact CG2-CG2 4.34Å; V208-V269 CarbonylContact O-C 3.05Å; V208-V269 WeakPolarHBondContact O-CA 3.46Å; V208-D270 PolarHBondContact O-N 2.93Å; V208-A271 WeakPolarHBondContact O-CB 3.47Å; V208-A271 PolarHBondContact O-N 3.21Å
209	E	91.9	Very high	86.6	Confident	4 Å²	4	48.7 Å²	48.7	2%	0.019	26%	0.258	C	S	.	.	S	Bend	trans	-101.9	155.2	174.8	54.1	-87.3	104.4	0	0	111.9	M207 K212 K224 F268 D270 I323 R328	M207-E209 HydrophobicContact CB-CG 4.32Å; M207-E209 VanDerWaalsContact CB-O 3.28Å; M207-E209 WeakPolarHBondContact CB-O 3.34Å; M207-E209 HydrophobicContact CE-CG 3.75Å; E209-K212 HydrophobicContact CG-CD 4.23Å; E209-K212 WeakPolarHBondContact OE2-CD 3.38Å; E209-K212 WeakPolarHBondContact OE2-CE 3.43Å; E209-K212 IonicContact OE2-NZ 2.63Å; E209-K212 PolarHBondContact OE2-NZ 3.3Å; E209-K224 PolarHBondContact O-NZ 3.41Å; E209-K224 VanDerWaalsContact O-NZ 3.08Å; E209-F268 WeakPolarHBondContact CB-O 3.41Å; E209-D270 WeakPolarHBondContact CA-OD1 3.27Å; E209-I323 HydrophobicContact CG-CD1 4.42Å; E209-I323 WeakPolarHBondContact OE2-CD1 3.27Å; E209-R328 IonicContact OE1-NH1 3.57Å; E209-R328 IonicContact OE1-NH2 2.76Å
210	N	90.3	Very high	85.7	Confident	28 Å²	28	45.8 Å²	45.8	15%	0.15	24%	0.237	C	C	.	.	S	Bend	trans	-80.4	-35	165.5	-68.9	-50	0	0	0	111.4	S222 K224 V225 D270	N210-S222 WeakPolarHBondContact O-CB 3.28Å; N210-S222 PolarHBondContact O-N 2.87Å; N210-K224 WeakPolarHBondContact OD1-CE 3.42Å; N210-V225 HydrophobicContact CB-CG1 3.83Å; N210-V225 HydrophobicContact CB-CG2 4.02Å; N210-V225 WeakPolarHBondContact O-CG2 3.43Å; N210-D270 WeakPolarHBondContact CB-OD2 3.43Å; N210-D270 PolarHBondContact N-OD1 2.74Å; N210-D270 PolarHBondContact ND2-O 3.21Å; N210-D270 PolarHBondContact ND2-OD2 3.45Å
211	K	87.8	Confident	84.9	Confident	75 Å²	75	46.7 Å²	46.7	33%	0.326	24%	0.243	S	C	.	.	S	Bend	trans	-145.4	133.4	-179.6	-60	-173	177.3	173.2	0	109.4	N218 T220 S221 V225	K211-N218 WeakPolarHBondContact CB-OD1 3.4Å; K211-T220 WeakPolarHBondContact CA-O 3.24Å; K211-T220 WeakPolarHBondContact CB-O 3.47Å; K211-S221 WeakPolarHBondContact CE-OG 3.26Å; K211-V225 HydrophobicContact CG-CG2 4.11Å
212	K	83.8	Confident	84.3	Confident	51 Å²	51	41.9 Å²	41.9	22%	0.222	23%	0.225	C	C	.	.			trans	-85.9	120.2	173.1	-161.7	54.7	155.8	-165.1	0	110.3	E209 V219 T220 I323	E209-K212 HydrophobicContact CG-CD 4.23Å; E209-K212 WeakPolarHBondContact OE2-CD 3.38Å; E209-K212 WeakPolarHBondContact OE2-CE 3.43Å; E209-K212 IonicContact OE2-NZ 2.63Å; E209-K212 PolarHBondContact OE2-NZ 3.3Å; K212-V219 HydrophobicContact CB-CG2 4.29Å; K212-V219 WeakPolarHBondContact O-CG2 3.27Å; K212-V219 PolarHBondContact O-N 3.09Å; K212-T220 HydrophobicContact CB-CG2 4.22Å; K212-T220 WeakPolarHBondContact CB-OG1 3.19Å; K212-T220 PolarHBondContact N-OG1 3.06Å; K212-T220 PolarHBondContact O-N 3.18Å; K212-I323 HydrophobicContact CB-CD1 4.41Å; K212-I323 HydrophobicContact CB-CG2 4.07Å; K212-I323 HydrophobicContact CD-CD1 4.13Å; K212-I323 HydrophobicContact CG-CD1 4.14Å; K212-I323 HydrophobicContact CG-CG2 4.39Å
213	V	74.8	Confident	83.9	Confident	75 Å²	75	42 Å²	42	46%	0.455	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.9	140.7	167.3	-179.2	0	0	0	0	109.8	L217	V213-L217 CarbonylContact C-O 3.41Å; V213-L217 VanDerWaalsContact CA-O 3.3Å; V213-L217 WeakPolarHBondContact CA-O 3.41Å
214	K	66.9	Low	83.2	Confident	122 Å²	122	44.2 Å²	44.2	53%	0.53	24%	0.236	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	133.5	163.3	-74.3	-163.4	170	-150.6	0	108.9	G216 L217 V219	K214-G216 PolarHBondContact O-N 2.85Å; K214-L217 PolarHBondContact N-O 3.28Å; K214-L217 PolarHBondContact O-N 3.45Å; K214-V219 HydrophobicContact CB-CG1 4.1Å; K214-V219 HydrophobicContact CB-CG2 4.1Å; K214-V219 HydrophobicContact CD-CG2 4.33Å; K214-V219 HydrophobicContact CG-CG2 3.91Å
215	F	67.7	Low	82.5	Confident	176 Å²	176	46.2 Å²	46.2	77%	0.772	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	50.8	41.2	-179.3	-48.1	-70.1	0	0	0	113.1	L217	F215-L217 PolarHBondContact O-N 3.3Å; F215-L217 VanDerWaalsContact O-N 3.16Å
216	G	67.1	Low	81.9	Confident	68 Å²	68	46.6 Å²	46.6	70%	0.701	25%	0.25	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.2	-15.4	-174.9	0	0	0	0	0	115.8	K214	K214-G216 PolarHBondContact O-N 2.85Å
217	L	66.4	Low	81.3	Confident	118 Å²	118	55.8 Å²	55.8	62%	0.618	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	136.7	-176.5	-64.8	170.9	0	0	0	112.5	V213 K214 F215 V219	V213-L217 CarbonylContact C-O 3.41Å; V213-L217 VanDerWaalsContact CA-O 3.3Å; V213-L217 WeakPolarHBondContact CA-O 3.41Å; K214-L217 PolarHBondContact N-O 3.28Å; K214-L217 PolarHBondContact O-N 3.45Å; F215-L217 PolarHBondContact O-N 3.3Å; F215-L217 VanDerWaalsContact O-N 3.16Å; L217-V219 PolarHBondContact O-N 3.1Å; L217-V219 VanDerWaalsContact O-N 3.08Å
218	N	75.3	Confident	80.8	Confident	84 Å²	84	58.3 Å²	58.3	45%	0.449	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.7	96.6	170.2	-79.1	-78	0	0	0	110	K211	K211-N218 WeakPolarHBondContact CB-OD1 3.4Å
219	V	73.1	Confident	80.5	Confident	36 Å²	36	64 Å²	64	22%	0.218	34%	0.337	C	S	.	.			trans	-82.9	-22.1	-179.1	-68.7	0	0	0	0	113.1	G141 K212 K214 L217	G141-V219 WeakPolarHBondContact CA-O 3.35Å; G141-V219 PolarHBondContact N-O 3.23Å; K212-V219 HydrophobicContact CB-CG2 4.29Å; K212-V219 WeakPolarHBondContact O-CG2 3.27Å; K212-V219 PolarHBondContact O-N 3.09Å; K214-V219 HydrophobicContact CB-CG1 4.1Å; K214-V219 HydrophobicContact CB-CG2 4.1Å; K214-V219 HydrophobicContact CD-CG2 4.33Å; K214-V219 HydrophobicContact CG-CG2 3.91Å; L217-V219 PolarHBondContact O-N 3.1Å; L217-V219 VanDerWaalsContact O-N 3.08Å
220	T	78.9	Confident	80.5	Confident	5 Å²	5	66.3 Å²	66.3	3%	0.031	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164	176.3	79.1	0	0	0	0	112.7	C117 T138 L139 K211 K212 I323	C117-T220 WeakPolarHBondContact SG-CG2 3.29Å; T138-T220 HydrophobicContact CG2-CG2 4.06Å; L139-T220 WeakPolarHBondContact O-CA 3.41Å; K211-T220 WeakPolarHBondContact CA-O 3.24Å; K211-T220 WeakPolarHBondContact CB-O 3.47Å; K212-T220 HydrophobicContact CB-CG2 4.22Å; K212-T220 WeakPolarHBondContact CB-OG1 3.19Å; K212-T220 PolarHBondContact N-OG1 3.06Å; K212-T220 PolarHBondContact O-N 3.18Å; T220-I323 HydrophobicContact CG2-CG2 3.66Å
221	S	81	Confident	80.8	Confident	25 Å²	25	65 Å²	65	18%	0.175	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.7	133.5	167.6	-170.5	0	0	0	0	110.2	T138 L139 K211	T138-S221 PolarHBondContact OG1-O 3.5Å; L139-S221 WeakPolarHBondContact CB-O 3.4Å; L139-S221 WeakPolarHBondContact CG-O 3.43Å; L139-S221 PolarHBondContact N-O 3.34Å; L139-S221 PolarHBondContact O-N 2.88Å; K211-S221 WeakPolarHBondContact CE-OG 3.26Å
222	S	84.4	Confident	81	Confident	1 Å²	1	64.5 Å²	64.5	1%	0.007	35%	0.348	C	S	.	.			trans	-71.6	148.1	170	174.7	0	0	0	0	111.3	T138 D205 N210 K224 V225	T138-S222 WeakPolarHBondContact OG1-CA 3.48Å; D205-S222 VanDerWaalsContact OD2-CB 3.28Å; D205-S222 WeakPolarHBondContact OD2-CB 3.42Å; D205-S222 PolarHBondContact OD2-OG 2.88Å; N210-S222 WeakPolarHBondContact O-CB 3.28Å; N210-S222 PolarHBondContact O-N 2.87Å; S222-K224 PolarHBondContact O-N 2.96Å; S222-K224 VanDerWaalsContact OG-CD 3.3Å; S222-K224 WeakPolarHBondContact OG-CD 3.38Å; S222-K224 VanDerWaalsContact OG-CG 3.29Å; S222-K224 WeakPolarHBondContact OG-CG 3.31Å; S222-K224 PolarHBondContact OG-N 2.66Å; S222-V225 WeakPolarHBondContact O-CG2 3.43Å; S222-V225 PolarHBondContact O-N 2.83Å; S222-V225 VanDerWaalsContact O-N 3.1Å
223	E	89.3	Confident	81.5	Confident	4 Å²	4	67.5 Å²	67.5	2%	0.019	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-45.2	-38	166	-71.7	84.5	152.8	0	0	112.2	R116 T138 L139 I203 V225 D226 Y231 L236 H321	R116-E223 IonicContact CZ-OE1 2.61Å; R116-E223 IonicContact NH1-OE1 3.6Å; R116-E223 PolarHBondContact NH1-OE1 3.17Å; R116-E223 IonicContact NH2-OE1 3.75Å; R116-E223 PolarHBondContact NH2-OE1 2.76Å; T138-E223 PolarHBondContact OG1-OE2 2.89Å; L139-E223 HydrophobicContact CD1-CG 4.09Å; L139-E223 HydrophobicContact CD2-CG 4.04Å; L139-E223 HydrophobicContact CG-CG 4.12Å; I203-E223 HydrophobicContact CG2-CG 4.49Å; E223-V225 PolarHBondContact O-N 2.99Å; E223-V225 VanDerWaalsContact O-N 3.1Å; E223-D226 PolarHBondContact O-N 3.33Å; E223-Y231 HydrophobicContact CB-CG 4.39Å; E223-Y231 HydrophobicContact CG-CD1 3.89Å; E223-Y231 HydrophobicContact CG-CD2 4.44Å; E223-Y231 HydrophobicContact CG-CE1 4.17Å; E223-Y231 HydrophobicContact CG-CG 4.03Å; E223-L236 HydrophobicContact CB-CD1 4.15Å; E223-L236 HydrophobicContact CB-CD2 4.05Å; E223-H321 IonicContact OE1-CE1 3.88Å; E223-H321 IonicContact OE1-NE2 3.76Å; E223-H321 IonicContact OE2-CE1 2.83Å; E223-H321 PolarHBondContact OE2-CE1 3.2Å; E223-H321 VanDerWaalsContact OE2-CE1 3.25Å; E223-H321 IonicContact OE2-NE2 2.69Å
224	K	84	Confident	82.5	Confident	47 Å²	47	64.5 Å²	64.5	20%	0.204	35%	0.348	C	S	.	.	G	3₁₀ helix	trans	-65.5	-12.4	-178	76.3	-151.8	171.7	-159.9	0	114.5	D205 M207 E209 N210 S222 L236 A271	D205-K224 WeakPolarHBondContact OD2-CD 3.49Å; D205-K224 WeakPolarHBondContact OD2-CE 3.48Å; D205-K224 IonicContact OD2-NZ 2.95Å; D205-K224 PolarHBondContact OD2-NZ 3.46Å; M207-K224 PolarHBondContact O-NZ 3.11Å; M207-K224 VanDerWaalsContact O-NZ 3.12Å; E209-K224 PolarHBondContact O-NZ 3.41Å; E209-K224 VanDerWaalsContact O-NZ 3.08Å; N210-K224 WeakPolarHBondContact OD1-CE 3.42Å; S222-K224 PolarHBondContact O-N 2.96Å; S222-K224 VanDerWaalsContact OG-CD 3.3Å; S222-K224 WeakPolarHBondContact OG-CD 3.38Å; S222-K224 VanDerWaalsContact OG-CG 3.29Å; S222-K224 WeakPolarHBondContact OG-CG 3.31Å; S222-K224 PolarHBondContact OG-N 2.66Å; K224-L236 HydrophobicContact CB-CD1 4.35Å; K224-A271 VanDerWaalsContact CE-CB 3.49Å
225	V	83.3	Confident	83.9	Confident	43 Å²	43	59.9 Å²	59.9	26%	0.261	33%	0.33	S	S	.	.	G	3₁₀ helix	trans	-126.4	26.6	176.3	-64.4	0	0	0	0	113.1	N210 K211 S222 E223 K227	N210-V225 HydrophobicContact CB-CG1 3.83Å; N210-V225 HydrophobicContact CB-CG2 4.02Å; N210-V225 WeakPolarHBondContact O-CG2 3.43Å; K211-V225 HydrophobicContact CG-CG2 4.11Å; S222-V225 WeakPolarHBondContact O-CG2 3.43Å; S222-V225 PolarHBondContact O-N 2.83Å; S222-V225 VanDerWaalsContact O-N 3.1Å; E223-V225 PolarHBondContact O-N 2.99Å; E223-V225 VanDerWaalsContact O-N 3.1Å; V225-K227 PolarHBondContact O-N 3.21Å; V225-K227 VanDerWaalsContact O-N 3.11Å
226	D	86.1	Confident	85.3	Confident	12 Å²	12	53.8 Å²	53.8	6%	0.064	31%	0.305	C	S	.	.			trans	-67.3	107	169.4	-176.6	23	0	0	0	111	E223 A228 Q229 R230 Y231	E223-D226 PolarHBondContact O-N 3.33Å; D226-A228 PolarHBondContact O-N 3.11Å; D226-A228 VanDerWaalsContact O-N 3.14Å; D226-A228 PolarHBondContact OD1-N 3.36Å; D226-Q229 PolarHBondContact O-N 3.33Å; D226-Q229 PolarHBondContact O-NE2 2.96Å; D226-R230 IonicContact OD1-CZ 3.17Å; D226-R230 IonicContact OD1-NE 2.78Å; D226-R230 IonicContact OD1-NH2 3.29Å; D226-R230 PolarHBondContact OD1-NH2 3.35Å; D226-R230 WeakPolarHBondContact OD2-CB 3.49Å; D226-R230 IonicContact OD2-CZ 3.24Å; D226-R230 PolarHBondContact OD2-N 2.79Å; D226-R230 IonicContact OD2-NE 2.94Å; D226-R230 PolarHBondContact OD2-NE 3.39Å; D226-R230 IonicContact OD2-NH2 3.82Å; D226-Y231 HydrophobicContact CB-CD2 4.38Å
227	K	84.3	Confident	86.7	Confident	193 Å²	193	50.7 Å²	50.7	84%	0.839	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-29	179.2	-71.7	-169.6	173.3	-171	0	113.6	V225 Q229	V225-K227 PolarHBondContact O-N 3.21Å; V225-K227 VanDerWaalsContact O-N 3.11Å; K227-Q229 VanDerWaalsContact C-N 3.33Å
228	A	85.7	Confident	88.2	Confident	54 Å²	54	45.4 Å²	45.4	45%	0.446	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	1.4	179.4	0	0	0	0	0	113.3	D226 R230	D226-A228 PolarHBondContact O-N 3.11Å; D226-A228 VanDerWaalsContact O-N 3.14Å; D226-A228 PolarHBondContact OD1-N 3.36Å; A228-R230 HydrophobicContact CB-CG 3.89Å; A228-R230 PolarHBondContact O-N 3.4Å
229	Q	88.6	Confident	89.2	Confident	123 Å²	123	41.6 Å²	41.6	58%	0.575	23%	0.225	S	C	*	.			trans	53.7	25.9	176.3	-63.7	-68.9	-81.9	0	0	114.6	D226 K227 Y231 A232	D226-Q229 PolarHBondContact O-N 3.33Å; D226-Q229 PolarHBondContact O-NE2 2.96Å; K227-Q229 VanDerWaalsContact C-N 3.33Å; Q229-Y231 PolarHBondContact O-N 2.74Å; Q229-Y231 VanDerWaalsContact O-N 3.08Å; Q229-A232 HydrophobicContact CB-CB 4.31Å; Q229-A232 WeakPolarHBondContact O-CB 3.26Å; Q229-A232 PolarHBondContact O-N 2.75Å
230	R	92.4	Very high	90.3	Very high	52 Å²	52	39.9 Å²	39.9	20%	0.196	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.8	-18.9	-174.4	-62.5	166.8	-77	-143.1	-4.1	113	D185 I192 D226 A228	D185-R230 WeakPolarHBondContact OD1-CD 3.22Å; D185-R230 IonicContact OD1-CZ 2.83Å; D185-R230 IonicContact OD1-NE 4Å; D185-R230 IonicContact OD1-NH1 2.68Å; D185-R230 PolarHBondContact OD1-NH1 2.92Å; I192-R230 HydrophobicContact CD1-CB 3.69Å; I192-R230 VanDerWaalsContact CD1-O 3.26Å; I192-R230 WeakPolarHBondContact CD1-O 3.43Å; D226-R230 IonicContact OD1-CZ 3.17Å; D226-R230 IonicContact OD1-NE 2.78Å; D226-R230 IonicContact OD1-NH2 3.29Å; D226-R230 PolarHBondContact OD1-NH2 3.35Å; D226-R230 WeakPolarHBondContact OD2-CB 3.49Å; D226-R230 IonicContact OD2-CZ 3.24Å; D226-R230 PolarHBondContact OD2-N 2.79Å; D226-R230 IonicContact OD2-NE 2.94Å; D226-R230 PolarHBondContact OD2-NE 3.39Å; D226-R230 IonicContact OD2-NH2 3.82Å; A228-R230 HydrophobicContact CB-CG 3.89Å; A228-R230 PolarHBondContact O-N 3.4Å
231	Y	95.3	Very high	91.3	Very high	2 Å²	2	39.6 Å²	39.6	1%	0.008	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.4	8.5	178	-64.4	-94.9	0	0	0	113.6	L139 R188 D191 I192 L195 I203 E223 D226 Q229 D233 F234	L139-Y231 HydrophobicContact CD1-CD2 4.29Å; L139-Y231 HydrophobicContact CD1-CE2 3.67Å; L139-Y231 HydrophobicContact CD2-CE1 4.4Å; L139-Y231 HydrophobicContact CD2-CE2 4.4Å; L139-Y231 WeakPolarHBondContact CD2-OH 3.47Å; R188-Y231 HydrophobicContact CB-CE2 4.47Å; D191-Y231 WeakPolarHBondContact OD2-CE1 3.4Å; D191-Y231 PolarHBondContact OD2-OH 3.06Å; I192-Y231 HydrophobicContact CD1-CD2 4.45Å; I192-Y231 HydrophobicContact CD1-CE1 4.32Å; I192-Y231 HydrophobicContact CD1-CE2 4.2Å; I192-Y231 HydrophobicContact CG1-CD1 4.12Å; I192-Y231 HydrophobicContact CG1-CE1 3.73Å; I192-Y231 HydrophobicContact CG1-CE2 4.46Å; L195-Y231 HydrophobicContact CD1-CD1 4.24Å; L195-Y231 HydrophobicContact CD1-CE1 3.79Å; I203-Y231 HydrophobicContact CD1-CD1 4.28Å; E223-Y231 HydrophobicContact CB-CG 4.39Å; E223-Y231 HydrophobicContact CG-CD1 3.89Å; E223-Y231 HydrophobicContact CG-CD2 4.44Å; E223-Y231 HydrophobicContact CG-CE1 4.17Å; E223-Y231 HydrophobicContact CG-CG 4.03Å; D226-Y231 HydrophobicContact CB-CD2 4.38Å; Q229-Y231 PolarHBondContact O-N 2.74Å; Q229-Y231 VanDerWaalsContact O-N 3.08Å; Y231-D233 VanDerWaalsContact C-N 3.27Å; Y231-D233 PolarHBondContact O-N 3.3Å; Y231-F234 HydrophobicContact CD1-CD2 4.05Å; Y231-F234 HydrophobicContact CD1-CE2 4.15Å; Y231-F234 WeakPolarHBondContact O-CB 3.44Å; Y231-F234 WeakPolarHBondContact O-CD2 3.24Å; Y231-F234 PolarHBondContact O-N 3.46Å
232	A	92.6	Very high	92	Very high	64 Å²	64	38.4 Å²	38.4	53%	0.529	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.1	-23.3	-176.1	0	0	0	0	0	114.8	Q229 F234	Q229-A232 HydrophobicContact CB-CB 4.31Å; Q229-A232 WeakPolarHBondContact O-CB 3.26Å; Q229-A232 PolarHBondContact O-N 2.75Å; A232-F234 PolarHBondContact O-N 2.83Å
233	D	93.6	Very high	92.4	Very high	113 Å²	113	38.9 Å²	38.9	60%	0.604	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.8	-22.1	172.8	-62.4	-28.7	0	0	0	112.8	R196 Y231	R196-D233 IonicContact CZ-OD2 3.5Å; R196-D233 IonicContact NH2-OD2 3.13Å; R196-D233 PolarHBondContact NH2-OD2 3.42Å; Y231-D233 VanDerWaalsContact C-N 3.27Å; Y231-D233 PolarHBondContact O-N 3.3Å
234	F	96.9	Very high	92.6	Very high	13 Å²	13	38.9 Å²	38.9	6%	0.057	21%	0.21	C	C	.	.	S	Bend	trans	-87.7	142.8	179.1	-57.1	-87.8	0	0	0	110	I192 L195 R196 V200 I203 Y231 A232 L236	I192-F234 HydrophobicContact CB-CE2 4.47Å; I192-F234 HydrophobicContact CG1-CE2 4.09Å; I192-F234 HydrophobicContact CG2-CE2 4Å; I192-F234 HydrophobicContact CG2-CZ 4.05Å; L195-F234 HydrophobicContact CB-CE1 3.64Å; L195-F234 HydrophobicContact CB-CZ 3.69Å; L195-F234 HydrophobicContact CD1-CE1 4.17Å; L195-F234 HydrophobicContact CD1-CE2 4.31Å; L195-F234 HydrophobicContact CD1-CZ 3.9Å; L195-F234 HydrophobicContact CG-CE1 4.38Å; L195-F234 HydrophobicContact CG-CZ 4.4Å; R196-F234 HydrophobicContact CG-CE1 4.32Å; R196-F234 HydrophobicContact CG-CZ 4.03Å; V200-F234 VanDerWaalsContact O-CD1 3.31Å; V200-F234 WeakPolarHBondContact O-CD1 3.42Å; V200-F234 WeakPolarHBondContact O-CE1 3.41Å; I203-F234 HydrophobicContact CD1-CB 3.73Å; I203-F234 HydrophobicContact CD1-CD1 4.09Å; I203-F234 HydrophobicContact CD1-CD2 4.32Å; I203-F234 HydrophobicContact CD1-CG 3.79Å; I203-F234 HydrophobicContact CG1-CB 4.14Å; I203-F234 HydrophobicContact CG1-CG 4.47Å; Y231-F234 HydrophobicContact CD1-CD2 4.05Å; Y231-F234 HydrophobicContact CD1-CE2 4.15Å; Y231-F234 WeakPolarHBondContact O-CB 3.44Å; Y231-F234 WeakPolarHBondContact O-CD2 3.24Å; Y231-F234 PolarHBondContact O-N 3.46Å; A232-F234 PolarHBondContact O-N 2.83Å; F234-L236 HydrophobicContact CB-CD2 4.16Å; F234-L236 PolarHBondContact O-N 2.94Å; F234-L236 VanDerWaalsContact O-N 3.12Å
235	T	96.8	Very high	93.1	Very high	24 Å²	24	42.4 Å²	42.4	15%	0.147	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	95.6	173.4	-60.7	0	0	0	0	109.3	R201 Y202 I203 P276 R278 F279	R201-T235 PolarHBondContact O-N 3.31Å; Y202-T235 HydrophobicContact CD1-CG2 3.96Å; Y202-T235 HydrophobicContact CE1-CG2 4.08Å; I203-T235 PolarHBondContact N-O 3.37Å; T235-P276 HydrophobicContact CG2-CG 3.62Å; T235-R278 PolarHBondContact OG1-NH2 3.32Å; T235-F279 HydrophobicContact CG2-CE2 4.04Å
236	L	96.1	Very high	93.8	Very high	48 Å²	48	41 Å²	41	25%	0.251	22%	0.217	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	140.1	177	-50.9	-173.3	0	0	0	111.2	I203 E223 K224 F234	I203-L236 HydrophobicContact CB-CD2 3.83Å; I203-L236 HydrophobicContact CD1-CD2 3.94Å; I203-L236 HydrophobicContact CG1-CD2 4.28Å; I203-L236 HydrophobicContact CG2-CD2 4.3Å; E223-L236 HydrophobicContact CB-CD1 4.15Å; E223-L236 HydrophobicContact CB-CD2 4.05Å; K224-L236 HydrophobicContact CB-CD1 4.35Å; F234-L236 HydrophobicContact CB-CD2 4.16Å; F234-L236 PolarHBondContact O-N 2.94Å; F234-L236 VanDerWaalsContact O-N 3.12Å
237	L	96.9	Very high	94.4	Very high	3 Å²	3	40.4 Å²	40.4	2%	0.016	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	100.3	179.6	-65.6	145.8	0	0	0	107.1	I203 D205 V239 I275 F279 I309	I203-L237 WeakPolarHBondContact O-CB 3.31Å; I203-L237 PolarHBondContact O-N 3.5Å; D205-L237 PolarHBondContact N-O 3.4Å; L237-V239 PolarHBondContact O-N 2.91Å; L237-I275 HydrophobicContact CD2-CG2 3.99Å; L237-F279 HydrophobicContact CD2-CD2 4.32Å; L237-I309 HydrophobicContact CD1-CD1 3.56Å; L237-I309 HydrophobicContact CD2-CD1 3.98Å; L237-I309 HydrophobicContact CG-CD1 4.43Å
238	S	96.8	Very high	95	Very high	8 Å²	8	35.2 Å²	35.2	6%	0.056	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	103.5	173.8	-174.2	0	0	0	0	107.5	P240 P272 L273 T274	S238-P240 VanDerWaalsContact C-CD 3.49Å; S238-P240 WeakPolarHBondContact O-CD 3.15Å; S238-P272 WeakPolarHBondContact CB-O 3.4Å; S238-P272 PolarHBondContact OG-O 3.37Å; S238-L273 CarbonylContact O-C 3.53Å; S238-L273 WeakPolarHBondContact O-CA 3.37Å; S238-L273 WeakPolarHBondContact O-CD1 3.3Å; S238-T274 PolarHBondContact N-O 2.76Å; S238-T274 PolarHBondContact O-N 2.88Å
239	V	97.1	Very high	95.5	Very high	3 Å²	3	36.1 Å²	36.1	2%	0.018	19%	0.189	C	C	.	.			trans	-123.8	68.1	-176.7	-75	0	0	0	0	109	C204 D205 L206 L237 Y241 L273 I275 Y302 L305	C204-V239 WeakPolarHBondContact SG-CG2 3.33Å; D205-V239 CarbonylContact O-C 3.48Å; D205-V239 WeakPolarHBondContact O-CG2 3.37Å; D205-V239 PolarHBondContact O-N 3.5Å; L206-V239 WeakPolarHBondContact CA-O 3.17Å; L206-V239 HydrophobicContact CD2-CG2 4.04Å; L237-V239 PolarHBondContact O-N 2.91Å; V239-Y241 PolarHBondContact O-N 2.95Å; V239-L273 HydrophobicContact CB-CD1 4.42Å; V239-L273 HydrophobicContact CG1-CD1 3.93Å; V239-I275 HydrophobicContact CG1-CD1 4.32Å; V239-I275 HydrophobicContact CG1-CG1 4.12Å; V239-Y302 HydrophobicContact CB-CD2 4.24Å; V239-Y302 HydrophobicContact CB-CE1 4.32Å; V239-Y302 HydrophobicContact CB-CE2 4.05Å; V239-Y302 HydrophobicContact CB-CG 4.49Å; V239-Y302 HydrophobicContact CG1-CE1 4.42Å; V239-Y302 WeakPolarHBondContact O-CE2 3.27Å; V239-L305 HydrophobicContact CG1-CD2 3.73Å
240	P	97.3	Very high	95.9	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	16%	0.162	C	C	.	.			trans	-58.6	127.1	-169.1	27.3	-37.6	0	0	0	110.5	V208 S238 W264 Y290 Q298 Y302	V208-P240 HydrophobicContact CB-CB 4.36Å; V208-P240 HydrophobicContact CG1-CB 4.04Å; S238-P240 VanDerWaalsContact C-CD 3.49Å; S238-P240 WeakPolarHBondContact O-CD 3.15Å; P240-W264 HydrophobicContact CB-CH2 4.37Å; P240-W264 HydrophobicContact CB-CZ3 4.03Å; P240-W264 HydrophobicContact CG-CH2 4.24Å; P240-W264 HydrophobicContact CG-CZ3 3.97Å; P240-W264 WeakPolarHBondContact O-CH2 3.3Å; P240-Y290 HydrophobicContact CG-CE2 3.99Å; P240-Q298 PolarHBondContact O-NE2 3.29Å; P240-Y302 WeakPolarHBondContact O-CE2 3.34Å; P240-Y302 PolarHBondContact O-OH 2.97Å
241	Y	98.3	Very high	96	Very high	0 Å²	0	29 Å²	29	0%	0	16%	0.158	C	C	.	.			trans	-131.7	142.7	-174.5	-173.4	-91.2	0	0	0	111.3	L206 V208 V239 F247 L295 Q298 T299 Y302 R328 L331 F332	L206-Y241 PolarHBondContact O-N 2.94Å; V208-Y241 WeakPolarHBondContact CG1-O 3.47Å; V239-Y241 PolarHBondContact O-N 2.95Å; Y241-F247 HydrophobicContact CE1-CE2 4.23Å; Y241-F247 AromaticContact CE1-CZ 3.83Å; Y241-F247 HydrophobicContact CE1-CZ 3.83Å; Y241-L295 HydrophobicContact CE2-CD1 4.49Å; Y241-L295 WeakPolarHBondContact OH-CD1 3.25Å; Y241-Q298 HydrophobicContact CD2-CG 4.1Å; Y241-Q298 HydrophobicContact CE2-CG 4.31Å; Y241-T299 PolarHBondContact OH-OG1 3.27Å; Y241-Y302 AromaticContact CD2-CD2 3.79Å; Y241-Y302 HydrophobicContact CD2-CD2 3.79Å; Y241-Y302 AromaticContact CD2-CE2 3.92Å; Y241-Y302 HydrophobicContact CD2-CE2 3.92Å; Y241-Y302 HydrophobicContact CG-CE2 4.49Å; Y241-R328 HydrophobicContact CD1-CB 4.42Å; Y241-R328 HydrophobicContact CD1-CG 3.9Å; Y241-R328 WeakPolarHBondContact O-CD 3.46Å; Y241-R328 PolarHBondContact O-NH1 3.46Å; Y241-L331 HydrophobicContact CE1-CD2 3.72Å; Y241-L331 WeakPolarHBondContact OH-CD2 3.39Å; Y241-F332 HydrophobicContact CD1-CE2 4.02Å; Y241-F332 AromaticContact CD2-CE2 3.75Å; Y241-F332 HydrophobicContact CD2-CE2 3.75Å; Y241-F332 AromaticContact CD2-CZ 3.79Å; Y241-F332 HydrophobicContact CD2-CZ 3.79Å; Y241-F332 HydrophobicContact CE1-CE2 4.1Å; Y241-F332 AromaticContact CE2-CE2 3.84Å; Y241-F332 HydrophobicContact CE2-CE2 3.84Å; Y241-F332 AromaticContact CE2-CZ 3.68Å; Y241-F332 HydrophobicContact CE2-CZ 3.68Å; Y241-F332 AromaticContact CG-CE2 3.83Å; Y241-F332 HydrophobicContact CG-CE2 3.83Å; Y241-F332 HydrophobicContact CG-CZ 4.34Å
242	P	96.4	Very high	96	Very high	0 Å²	0	32 Å²	32	0%	0	17%	0.174	C	C	.	.			trans	-54.5	144	-174.6	-29.2	36.7	0	0	0	115.3	F246 F262 R328	P242-F246 HydrophobicContact CB-CB 3.78Å; P242-F246 HydrophobicContact CB-CD1 3.41Å; P242-F246 VanDerWaalsContact CB-CD1 3.41Å; P242-F246 HydrophobicContact CB-CE1 4.22Å; P242-F246 HydrophobicContact CB-CG 3.84Å; P242-F246 HydrophobicContact CG-CD1 3.77Å; P242-F246 HydrophobicContact CG-CE1 4.09Å; P242-F262 HydrophobicContact CB-CD2 3.72Å; P242-F262 HydrophobicContact CB-CE2 4.07Å; P242-F262 HydrophobicContact CB-CG 4.19Å; P242-F262 HydrophobicContact CG-CB 3.76Å; P242-F262 HydrophobicContact CG-CD1 4.36Å; P242-F262 HydrophobicContact CG-CD2 3.79Å; P242-F262 HydrophobicContact CG-CE2 4.47Å; P242-F262 HydrophobicContact CG-CG 3.72Å; P242-R328 VanDerWaalsContact O-CD 3.25Å; P242-R328 WeakPolarHBondContact O-CD 3.05Å; P242-R328 WeakPolarHBondContact O-CG 3.5Å
243	G	93.1	Very high	96.2	Very high	10 Å²	10	34.1 Å²	34.1	10%	0.103	17%	0.168	C	C	.	.			trans	-66.3	170.1	176.2	0	0	0	0	0	113.4	E245 F246 F247	G243-E245 VanDerWaalsContact C-OE2 3.23Å; G243-E245 VanDerWaalsContact CA-OE2 3.25Å; G243-E245 WeakPolarHBondContact CA-OE2 3.15Å; G243-E245 PolarHBondContact O-N 3.11Å; G243-F246 PolarHBondContact O-N 3.45Å; G243-F247 VanDerWaalsContact O-CD2 3.26Å; G243-F247 WeakPolarHBondContact O-CD2 3.03Å; G243-F247 WeakPolarHBondContact O-CE2 3.27Å
244	C	93.8	Very high	96.2	Very high	5 Å²	5	33 Å²	33	3%	0.034	16%	0.162	C	C	.	.	G	3₁₀ helix	trans	-60.2	-29.1	175.8	45.2	0	0	0	0	112.3	F246 F247 D327 R374 E379 I381	C244-F246 VanDerWaalsContact C-N 3.26Å; C244-F246 PolarHBondContact O-N 3.08Å; C244-F247 WeakPolarHBondContact O-CB 3.39Å; C244-F247 PolarHBondContact O-N 3.18Å; C244-D327 HydrophobicContact CB-CB 4.02Å; C244-R374 PolarHBondContact SG-NH2 2.82Å; C244-E379 HydrophobicContact CB-CB 4.38Å; C244-E379 WeakPolarHBondContact O-CB 3.2Å; C244-E379 WeakPolarHBondContact O-CG 3.31Å; C244-E379 PolarHBondContact SG-OE2 2.6Å; C244-I381 HydrophobicContact CB-CG2 4.32Å
245	E	94.8	Very high	96.1	Very high	120 Å²	120	33.2 Å²	33.2	56%	0.561	16%	0.162	S	C	*	.	G	3₁₀ helix	trans	-53.9	-40.7	175.7	-57.5	84.7	171.2	0	0	111.8	G243 F247 K248	G243-E245 VanDerWaalsContact C-OE2 3.23Å; G243-E245 VanDerWaalsContact CA-OE2 3.25Å; G243-E245 WeakPolarHBondContact CA-OE2 3.15Å; G243-E245 PolarHBondContact O-N 3.11Å; E245-F247 PolarHBondContact O-N 3.29Å; E245-K248 WeakPolarHBondContact O-CB 3.46Å; E245-K248 PolarHBondContact O-N 3.36Å; E245-K248 VanDerWaalsContact O-N 3.14Å
246	F	96.9	Very high	96	Very high	14 Å²	14	35.1 Å²	35.1	6%	0.061	17%	0.174	C	C	.	.	G	3₁₀ helix	trans	-69	-17.5	179.2	-172.7	-121.7	0	0	0	113.7	P242 G243 C244 K248 D249 Y250 L260 F262 L295	P242-F246 HydrophobicContact CB-CB 3.78Å; P242-F246 HydrophobicContact CB-CD1 3.41Å; P242-F246 VanDerWaalsContact CB-CD1 3.41Å; P242-F246 HydrophobicContact CB-CE1 4.22Å; P242-F246 HydrophobicContact CB-CG 3.84Å; P242-F246 HydrophobicContact CG-CD1 3.77Å; P242-F246 HydrophobicContact CG-CE1 4.09Å; G243-F246 PolarHBondContact O-N 3.45Å; C244-F246 VanDerWaalsContact C-N 3.26Å; C244-F246 PolarHBondContact O-N 3.08Å; F246-K248 PolarHBondContact O-N 3.29Å; F246-D249 HydrophobicContact CD2-CB 4.31Å; F246-D249 WeakPolarHBondContact CD2-OD2 2.89Å; F246-D249 HydrophobicContact CE2-CB 4.39Å; F246-D249 WeakPolarHBondContact O-CB 3.48Å; F246-D249 PolarHBondContact O-N 2.98Å; F246-D249 VanDerWaalsContact O-N 3.16Å; F246-Y250 PolarHBondContact O-N 2.96Å; F246-L260 HydrophobicContact CE1-CD1 4.43Å; F246-L260 HydrophobicContact CE1-CD2 4.35Å; F246-L260 HydrophobicContact CE1-CG 3.98Å; F246-L260 HydrophobicContact CE2-CD1 3.73Å; F246-L260 HydrophobicContact CE2-CG 4.18Å; F246-L260 HydrophobicContact CZ-CD1 3.53Å; F246-L260 HydrophobicContact CZ-CD2 4.23Å; F246-L260 HydrophobicContact CZ-CG 3.52Å; F246-F262 HydrophobicContact CB-CD2 4.26Å; F246-F262 HydrophobicContact CB-CE2 4.46Å; F246-F262 HydrophobicContact CD1-CD2 4.13Å; F246-F262 AromaticContact CD2-CD2 3.73Å; F246-F262 HydrophobicContact CD2-CD2 3.73Å; F246-F262 HydrophobicContact CD2-CE2 4.46Å; F246-F262 HydrophobicContact CE1-CB 4.01Å; F246-F262 HydrophobicContact CE1-CD2 4.36Å; F246-F262 HydrophobicContact CE2-CB 4.25Å; F246-F262 HydrophobicContact CE2-CD2 4.01Å; F246-F262 AromaticContact CG-CD2 3.78Å; F246-F262 HydrophobicContact CG-CD2 3.78Å; F246-F262 HydrophobicContact CG-CE2 4.44Å; F246-F262 VanDerWaalsContact CZ-CA 3.46Å; F246-F262 HydrophobicContact CZ-CB 3.84Å; F246-F262 HydrophobicContact CZ-CD2 4.31Å; F246-L295 HydrophobicContact CD1-CD1 4.36Å; F246-L295 HydrophobicContact CE1-CB 4.35Å; F246-L295 HydrophobicContact CE1-CD1 4.2Å; F246-L295 HydrophobicContact CE1-CD2 4.35Å
247	F	97.8	Very high	96	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-79.6	-3.5	175.8	-64.3	-93.8	0	0	0	112.7	Y241 G243 C244 E245 Y250 K251 L295 E380 I381 F384	Y241-F247 HydrophobicContact CE1-CE2 4.23Å; Y241-F247 AromaticContact CE1-CZ 3.83Å; Y241-F247 HydrophobicContact CE1-CZ 3.83Å; G243-F247 VanDerWaalsContact O-CD2 3.26Å; G243-F247 WeakPolarHBondContact O-CD2 3.03Å; G243-F247 WeakPolarHBondContact O-CE2 3.27Å; C244-F247 WeakPolarHBondContact O-CB 3.39Å; C244-F247 PolarHBondContact O-N 3.18Å; E245-F247 PolarHBondContact O-N 3.29Å; F247-Y250 HydrophobicContact CD1-CD1 4.36Å; F247-K251 PolarHBondContact O-N 2.86Å; F247-L295 HydrophobicContact CD1-CD2 4.27Å; F247-L295 HydrophobicContact CE1-CD1 4.01Å; F247-L295 HydrophobicContact CE1-CD2 3.81Å; F247-L295 HydrophobicContact CE1-CG 4.41Å; F247-L295 HydrophobicContact CZ-CD1 3.86Å; F247-L295 HydrophobicContact CZ-CD2 4.41Å; F247-E380 PolarHBondContact O-N 3.38Å; F247-I381 HydrophobicContact CB-CB 3.97Å; F247-I381 HydrophobicContact CD1-CB 3.98Å; F247-I381 HydrophobicContact CD1-CG1 3.99Å; F247-I381 HydrophobicContact CD2-CB 3.72Å; F247-I381 HydrophobicContact CD2-CD1 3.78Å; F247-I381 HydrophobicContact CD2-CG1 3.76Å; F247-I381 HydrophobicContact CE1-CB 4.47Å; F247-I381 HydrophobicContact CE1-CG1 3.97Å; F247-I381 HydrophobicContact CE2-CB 4.25Å; F247-I381 HydrophobicContact CE2-CD1 3.5Å; F247-I381 HydrophobicContact CE2-CG1 3.75Å; F247-I381 HydrophobicContact CG-CB 3.57Å; F247-I381 HydrophobicContact CG-CD1 4.43Å; F247-I381 HydrophobicContact CG-CG1 3.89Å; F247-I381 HydrophobicContact CZ-CD1 3.94Å; F247-I381 HydrophobicContact CZ-CG1 3.86Å; F247-F384 HydrophobicContact CD1-CB 3.79Å; F247-F384 HydrophobicContact CD1-CD1 4.26Å; F247-F384 HydrophobicContact CD1-CD2 4.29Å; F247-F384 AromaticContact CD1-CG 3.86Å; F247-F384 HydrophobicContact CD1-CG 3.86Å; F247-F384 HydrophobicContact CE1-CB 3.96Å; F247-F384 AromaticContact CE1-CD1 3.53Å; F247-F384 HydrophobicContact CE1-CD1 3.53Å; F247-F384 AromaticContact CE1-CD2 3.99Å; F247-F384 HydrophobicContact CE1-CD2 3.99Å; F247-F384 AromaticContact CE1-CE1 3.96Å; F247-F384 HydrophobicContact CE1-CE1 3.96Å; F247-F384 HydrophobicContact CE1-CE2 4.39Å; F247-F384 AromaticContact CE1-CG 3.54Å; F247-F384 HydrophobicContact CE1-CG 3.54Å; F247-F384 HydrophobicContact CE1-CZ 4.37Å; F247-F384 HydrophobicContact CZ-CD1 4.4Å
248	K	97.2	Very high	95.9	Very high	83 Å²	83	36.1 Å²	36.1	36%	0.361	18%	0.178	S	C	.	.	H	α-helix	trans	-68.7	-45	159.8	178.4	168.5	167.5	47.4	0	111.3	E245 F246 Y250 K251 D252 G378	E245-K248 WeakPolarHBondContact O-CB 3.46Å; E245-K248 PolarHBondContact O-N 3.36Å; E245-K248 VanDerWaalsContact O-N 3.14Å; F246-K248 PolarHBondContact O-N 3.29Å; K248-Y250 PolarHBondContact O-N 3.3Å; K248-K251 WeakPolarHBondContact O-CA 3.07Å; K248-K251 VanDerWaalsContact O-CB 3.31Å; K248-K251 WeakPolarHBondContact O-CB 3.47Å; K248-K251 PolarHBondContact O-N 2.91Å; K248-D252 VanDerWaalsContact CE-OD2 3.29Å; K248-D252 WeakPolarHBondContact CE-OD2 3.48Å; K248-D252 IonicContact NZ-OD1 3.81Å; K248-D252 PolarHBondContact NZ-OD1 3.02Å; K248-D252 IonicContact NZ-OD2 3.57Å; K248-D252 PolarHBondContact NZ-OD2 3.07Å; K248-D252 PolarHBondContact O-N 3.07Å; K248-G378 WeakPolarHBondContact CA-O 3.47Å
249	D	96.8	Very high	95.9	Very high	73 Å²	73	38.1 Å²	38.1	39%	0.39	20%	0.2	S	C	.	.	H	α-helix	trans	-62.9	-33.1	179.6	-54.9	-17.1	0	0	0	111.5	F246 R253 L260	F246-D249 HydrophobicContact CD2-CB 4.31Å; F246-D249 WeakPolarHBondContact CD2-OD2 2.89Å; F246-D249 HydrophobicContact CE2-CB 4.39Å; F246-D249 WeakPolarHBondContact O-CB 3.48Å; F246-D249 PolarHBondContact O-N 2.98Å; F246-D249 VanDerWaalsContact O-N 3.16Å; D249-R253 WeakPolarHBondContact O-CB 3.44Å; D249-R253 WeakPolarHBondContact O-CD 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.24Å; D249-R253 PolarHBondContact O-N 3.34Å; D249-L260 HydrophobicContact CB-CD1 3.99Å; D249-L260 HydrophobicContact CB-CD2 4.39Å
250	Y	96.6	Very high	96	Very high	3 Å²	3	38.6 Å²	38.6	1%	0.012	20%	0.202	C	C	.	.	H	α-helix	trans	-64.1	-41.9	169.9	164.3	-111.2	0	0	0	112.8	F246 F247 K248 Y255 A257 L260 E380 F383 F384 N387	F246-Y250 PolarHBondContact O-N 2.96Å; F247-Y250 HydrophobicContact CD1-CD1 4.36Å; K248-Y250 PolarHBondContact O-N 3.3Å; Y250-Y255 HydrophobicContact CD1-CD1 4.39Å; Y250-Y255 AromaticContact CE1-CD1 3.78Å; Y250-Y255 HydrophobicContact CE1-CD1 3.78Å; Y250-Y255 WeakPolarHBondContact CE2-O 3.29Å; Y250-Y255 WeakPolarHBondContact O-CA 3.39Å; Y250-Y255 PolarHBondContact O-N 2.64Å; Y250-A257 HydrophobicContact CD2-CB 3.82Å; Y250-A257 HydrophobicContact CE2-CB 3.92Å; Y250-L260 VanDerWaalsContact CA-CD2 3.49Å; Y250-E380 HydrophobicContact CD1-CB 4.24Å; Y250-E380 HydrophobicContact CE1-CB 4.36Å; Y250-F383 HydrophobicContact CE1-CD1 4.06Å; Y250-F384 HydrophobicContact CD1-CB 4.2Å; Y250-F384 HydrophobicContact CD1-CD2 4.34Å; Y250-F384 HydrophobicContact CD2-CD2 4.2Å; Y250-F384 HydrophobicContact CE1-CB 3.67Å; Y250-F384 HydrophobicContact CE1-CD2 4.01Å; Y250-F384 HydrophobicContact CE1-CG 4.35Å; Y250-F384 AromaticContact CE2-CD2 3.86Å; Y250-F384 HydrophobicContact CE2-CD2 3.86Å; Y250-F384 HydrophobicContact CG-CD2 4.42Å; Y250-F384 AromaticContact CZ-CD2 3.77Å; Y250-N387 PolarHBondContact OH-ND2 3.17Å
251	K	95.1	Very high	96	Very high	23 Å²	23	41.8 Å²	41.8	10%	0.1	22%	0.221	C	C	.	.	H	α-helix	trans	-64.6	-49.6	174.7	-173.4	-174.6	-173.8	130.6	0	111.6	F247 K248 R253 D254 Y255 E380 R625	F247-K251 PolarHBondContact O-N 2.86Å; K248-K251 WeakPolarHBondContact O-CA 3.07Å; K248-K251 VanDerWaalsContact O-CB 3.31Å; K248-K251 WeakPolarHBondContact O-CB 3.47Å; K248-K251 PolarHBondContact O-N 2.91Å; K251-R253 PolarHBondContact O-N 2.69Å; K251-R253 VanDerWaalsContact O-N 3.14Å; K251-D254 WeakPolarHBondContact O-CA 3.19Å; K251-D254 PolarHBondContact O-N 3.35Å; K251-Y255 HydrophobicContact CG-CE1 4.13Å; K251-Y255 HydrophobicContact CG-CE2 4.47Å; K251-E380 HydrophobicContact CB-CB 4.39Å; K251-E380 HydrophobicContact CB-CG 3.82Å; K251-E380 HydrophobicContact CD-CG 3.7Å; K251-E380 HydrophobicContact CG-CG 3.82Å; K251-E380 IonicContact NZ-OE1 3.75Å; K251-E380 PolarHBondContact NZ-OE1 3.44Å; K251-R625 WeakPolarHBondContact CE-O 3.47Å
252	D	96	Very high	96	Very high	66 Å²	66	42.5 Å²	42.5	35%	0.353	23%	0.225	S	C	.	.	H	α-helix	trans	-68.4	-11.3	-175.3	-65.5	-1.4	0	0	0	112.4	K248 S627	K248-D252 VanDerWaalsContact CE-OD2 3.29Å; K248-D252 WeakPolarHBondContact CE-OD2 3.48Å; K248-D252 IonicContact NZ-OD1 3.81Å; K248-D252 PolarHBondContact NZ-OD1 3.02Å; K248-D252 IonicContact NZ-OD2 3.57Å; K248-D252 PolarHBondContact NZ-OD2 3.07Å; K248-D252 PolarHBondContact O-N 3.07Å; D252-S627 PolarHBondContact O-OG 3.2Å
253	R	95.2	Very high	96	Very high	108 Å²	108	46.5 Å²	46.5	41%	0.408	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.7	32.1	167.7	-69.1	169	61.3	89.9	-5.6	113	D249 K251 Y255 T256 E258	D249-R253 WeakPolarHBondContact O-CB 3.44Å; D249-R253 WeakPolarHBondContact O-CD 3.31Å; D249-R253 WeakPolarHBondContact O-CG 3.24Å; D249-R253 PolarHBondContact O-N 3.34Å; K251-R253 PolarHBondContact O-N 2.69Å; K251-R253 VanDerWaalsContact O-N 3.14Å; R253-Y255 PolarHBondContact O-N 3.19Å; R253-T256 PolarHBondContact NE-O 3.16Å; R253-T256 VanDerWaalsContact O-CB 3.26Å; R253-T256 WeakPolarHBondContact O-CB 3.1Å; R253-T256 PolarHBondContact O-N 3.31Å; R253-T256 PolarHBondContact O-OG1 3.25Å; R253-E258 PolarHBondContact NH2-O 2.83Å
254	D	93.9	Very high	96.1	Very high	88 Å²	88	46.9 Å²	46.9	47%	0.471	24%	0.244	S	C	.	.	T	Hydrogen-bonded Turn	trans	47.8	43.8	-177.3	-71.4	-55.9	0	0	0	113.4	K251 T256 S626	K251-D254 WeakPolarHBondContact O-CA 3.19Å; K251-D254 PolarHBondContact O-N 3.35Å; D254-T256 VanDerWaalsContact C-N 3.27Å; D254-T256 PolarHBondContact O-N 2.71Å; D254-S626 VanDerWaalsContact OD1-CB 3.25Å; D254-S626 WeakPolarHBondContact OD1-CB 3.25Å; D254-S626 PolarHBondContact OD1-OG 3.35Å
255	Y	94.9	Very high	96.2	Very high	18 Å²	18	53.4 Å²	53.4	7%	0.071	28%	0.279	C	S	.	.	T	Hydrogen-bonded Turn	trans	61	30.1	-179.6	-52.9	-89	0	0	0	114.4	Y250 K251 R253 E380 F383 L624 R625	Y250-Y255 HydrophobicContact CD1-CD1 4.39Å; Y250-Y255 AromaticContact CE1-CD1 3.78Å; Y250-Y255 HydrophobicContact CE1-CD1 3.78Å; Y250-Y255 WeakPolarHBondContact CE2-O 3.29Å; Y250-Y255 WeakPolarHBondContact O-CA 3.39Å; Y250-Y255 PolarHBondContact O-N 2.64Å; K251-Y255 HydrophobicContact CG-CE1 4.13Å; K251-Y255 HydrophobicContact CG-CE2 4.47Å; R253-Y255 PolarHBondContact O-N 3.19Å; Y255-E380 HydrophobicContact CE1-CB 4.04Å; Y255-E380 HydrophobicContact CE1-CG 3.7Å; Y255-E380 PolarHBondContact OH-OE1 3.04Å; Y255-F383 AromaticContact CD1-CD1 3.36Å; Y255-F383 HydrophobicContact CD1-CD1 3.36Å; Y255-F383 AromaticContact CD1-CE1 3.4Å; Y255-F383 HydrophobicContact CD1-CE1 3.4Å; Y255-F383 HydrophobicContact CD1-CG 4.41Å; Y255-F383 HydrophobicContact CD1-CZ 4.46Å; Y255-F383 AromaticContact CE1-CD1 3.64Å; Y255-F383 HydrophobicContact CE1-CD1 3.64Å; Y255-F383 AromaticContact CE1-CE1 3.94Å; Y255-F383 HydrophobicContact CE1-CE1 3.94Å; Y255-F383 HydrophobicContact CE1-CG 4.28Å; Y255-F383 HydrophobicContact CG-CD1 4.26Å; Y255-F383 AromaticContact CG-CE1 3.83Å; Y255-F383 HydrophobicContact CG-CE1 3.83Å; Y255-L624 HydrophobicContact CE1-CD2 4.26Å; Y255-L624 HydrophobicContact CE2-CB 4.2Å; Y255-L624 HydrophobicContact CE2-CD2 4.11Å; Y255-R625 PolarHBondContact OH-N 2.82Å
256	T	95	Very high	96	Very high	64 Å²	64	50.8 Å²	50.8	39%	0.393	27%	0.267	S	S	.	.			trans	-99.2	112.9	172.8	-53.6	0	0	0	0	110.9	R253 D254 E258	R253-T256 PolarHBondContact NE-O 3.16Å; R253-T256 VanDerWaalsContact O-CB 3.26Å; R253-T256 WeakPolarHBondContact O-CB 3.1Å; R253-T256 PolarHBondContact O-N 3.31Å; R253-T256 PolarHBondContact O-OG1 3.25Å; D254-T256 VanDerWaalsContact C-N 3.27Å; D254-T256 PolarHBondContact O-N 2.71Å; T256-E258 HydrophobicContact CG2-CB 4.18Å; T256-E258 WeakPolarHBondContact CG2-OE2 3.5Å
257	A	95.4	Very high	95.7	Very high	2 Å²	2	58.5 Å²	58.5	2%	0.017	31%	0.309	C	S	.	.			trans	-93.9	-18.5	-178.6	0	0	0	0	0	112.9	Y250 G259 L260 L295 V296 F384	Y250-A257 HydrophobicContact CD2-CB 3.82Å; Y250-A257 HydrophobicContact CE2-CB 3.92Å; A257-G259 PolarHBondContact O-N 3.27Å; A257-L260 WeakPolarHBondContact O-CB 3.35Å; A257-L260 PolarHBondContact O-N 2.86Å; A257-L260 VanDerWaalsContact O-N 3.11Å; A257-L295 HydrophobicContact CB-CB 4.31Å; A257-L295 HydrophobicContact CB-CD2 4.12Å; A257-L295 HydrophobicContact CB-CG 4.39Å; A257-V296 HydrophobicContact CB-CG2 3.58Å; A257-F384 HydrophobicContact CB-CE2 3.87Å
258	E	96.4	Very high	95.3	Very high	71 Å²	71	62.7 Å²	62.7	33%	0.332	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.5	126.7	174.7	-61	86.1	155.7	0	0	109.6	R253 T256 L260 V296 K390 H391	R253-E258 PolarHBondContact NH2-O 2.83Å; T256-E258 HydrophobicContact CG2-CB 4.18Å; T256-E258 WeakPolarHBondContact CG2-OE2 3.5Å; E258-L260 PolarHBondContact O-N 2.88Å; E258-V296 HydrophobicContact CG-CG2 4.23Å; E258-K390 IonicContact OE1-NZ 3.37Å; E258-K390 PolarHBondContact OE1-NZ 3.39Å; E258-K390 IonicContact OE2-NZ 2.66Å; E258-H391 IonicContact OE1-CE1 3.61Å; E258-H391 PolarHBondContact OE1-CE1 2.97Å; E258-H391 VanDerWaalsContact OE1-CE1 3.26Å; E258-H391 IonicContact OE1-NE2 3.97Å
259	G	96.6	Very high	95.1	Very high	50 Å²	50	60.2 Å²	60.2	52%	0.515	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	69.1	6.5	-174.3	0	0	0	0	0	116.1	A257 V261 D294	A257-G259 PolarHBondContact O-N 3.27Å; G259-V261 PolarHBondContact O-N 2.8Å; G259-D294 PolarHBondContact N-OD2 2.94Å
260	L	97.7	Very high	95	Very high	13 Å²	13	60.7 Å²	60.7	7%	0.068	32%	0.321	C	S	.	.			trans	-85.5	92.9	173.8	176.6	53.7	0	0	0	110.3	F246 D249 Y250 A257 E258 D294 L295	F246-L260 HydrophobicContact CE1-CD1 4.43Å; F246-L260 HydrophobicContact CE1-CD2 4.35Å; F246-L260 HydrophobicContact CE1-CG 3.98Å; F246-L260 HydrophobicContact CE2-CD1 3.73Å; F246-L260 HydrophobicContact CE2-CG 4.18Å; F246-L260 HydrophobicContact CZ-CD1 3.53Å; F246-L260 HydrophobicContact CZ-CD2 4.23Å; F246-L260 HydrophobicContact CZ-CG 3.52Å; D249-L260 HydrophobicContact CB-CD1 3.99Å; D249-L260 HydrophobicContact CB-CD2 4.39Å; Y250-L260 VanDerWaalsContact CA-CD2 3.49Å; A257-L260 WeakPolarHBondContact O-CB 3.35Å; A257-L260 PolarHBondContact O-N 2.86Å; A257-L260 VanDerWaalsContact O-N 3.11Å; E258-L260 PolarHBondContact O-N 2.88Å; L260-D294 CarbonylContact O-C 3.6Å; L260-D294 WeakPolarHBondContact O-CA 3.25Å; L260-L295 HydrophobicContact CB-CB 4.48Å; L260-L295 HydrophobicContact CD2-CD2 4Å; L260-L295 PolarHBondContact O-N 3.11Å
261	V	97.9	Very high	94.8	Very high	66 Å²	66	60.6 Å²	60.6	40%	0.4	32%	0.321	S	S	.	.	B	Isolated β-bridge	trans	-92	134.1	179	-178.2	0	0	0	0	110.3	G259 D294	G259-V261 PolarHBondContact O-N 2.8Å; V261-D294 HydrophobicContact CG2-CB 4.24Å
262	F	97.6	Very high	94.8	Very high	16 Å²	16	63 Å²	63	7%	0.07	34%	0.339	C	S	.	.			trans	-71.9	140.6	176.2	179.9	-107.3	0	0	0	111.4	P242 F246 W264 Q266 V269	P242-F262 HydrophobicContact CB-CD2 3.72Å; P242-F262 HydrophobicContact CB-CE2 4.07Å; P242-F262 HydrophobicContact CB-CG 4.19Å; P242-F262 HydrophobicContact CG-CB 3.76Å; P242-F262 HydrophobicContact CG-CD1 4.36Å; P242-F262 HydrophobicContact CG-CD2 3.79Å; P242-F262 HydrophobicContact CG-CE2 4.47Å; P242-F262 HydrophobicContact CG-CG 3.72Å; F246-F262 HydrophobicContact CB-CD2 4.26Å; F246-F262 HydrophobicContact CB-CE2 4.46Å; F246-F262 HydrophobicContact CD1-CD2 4.13Å; F246-F262 AromaticContact CD2-CD2 3.73Å; F246-F262 HydrophobicContact CD2-CD2 3.73Å; F246-F262 HydrophobicContact CD2-CE2 4.46Å; F246-F262 HydrophobicContact CE1-CB 4.01Å; F246-F262 HydrophobicContact CE1-CD2 4.36Å; F246-F262 HydrophobicContact CE2-CB 4.25Å; F246-F262 HydrophobicContact CE2-CD2 4.01Å; F246-F262 AromaticContact CG-CD2 3.78Å; F246-F262 HydrophobicContact CG-CD2 3.78Å; F246-F262 HydrophobicContact CG-CE2 4.44Å; F246-F262 VanDerWaalsContact CZ-CA 3.46Å; F246-F262 HydrophobicContact CZ-CB 3.84Å; F246-F262 HydrophobicContact CZ-CD2 4.31Å; F262-W264 AromaticContact CD1-CD2 3.8Å; F262-W264 HydrophobicContact CD1-CD2 3.8Å; F262-W264 AromaticContact CD1-CE2 3.73Å; F262-W264 HydrophobicContact CD1-CE3 4.14Å; F262-W264 HydrophobicContact CD1-CG 4.2Å; F262-W264 HydrophobicContact CD1-CH2 4.37Å; F262-W264 HydrophobicContact CD1-CZ2 4.06Å; F262-W264 HydrophobicContact CD1-CZ3 4.4Å; F262-W264 HydrophobicContact CE1-CD2 4.38Å; F262-W264 HydrophobicContact CE1-CE3 4.33Å; F262-W264 PolarHBondContact O-N 1.79Å; F262-W264 PolarHBondContact O-NE1 3.39Å; F262-Q266 VanDerWaalsContact CZ-NE2 3.31Å; F262-V269 HydrophobicContact CE1-CG2 4.18Å; F262-V269 HydrophobicContact CZ-CG2 4.45Å
263	N	96.4	Very high	94.8	Very high	83 Å²	83	61.1 Å²	61.1	44%	0.444	33%	0.329	S	S	.	.			trans	-76	105.5	172.5	179.2	23.8	0	0	0	110.6	N265 Q266	N263-N265 VanDerWaalsContact C-N 3.31Å; N263-N265 PolarHBondContact ND2-O 3.22Å; N263-N265 VanDerWaalsContact ND2-O 3.1Å; N263-N265 WeakPolarHBondContact OD1-CB 3.39Å; N263-N265 PolarHBondContact OD1-N 3.39Å; N263-Q266 HydrophobicContact CB-CG 4.45Å; N263-Q266 WeakPolarHBondContact ND2-CG 3.44Å; N263-Q266 PolarHBondContact O-NE2 3.31Å
264	W	96.3	Very high	94.9	Very high	18 Å²	18	59.8 Å²	59.8	7%	0.068	33%	0.333	C	S	.	.			trans	-77.3	-16.3	176.3	-62.5	89.9	0	0	0	113.6	P240 F262 Q266 V269 Y290 Q291	P240-W264 HydrophobicContact CB-CH2 4.37Å; P240-W264 HydrophobicContact CB-CZ3 4.03Å; P240-W264 HydrophobicContact CG-CH2 4.24Å; P240-W264 HydrophobicContact CG-CZ3 3.97Å; P240-W264 WeakPolarHBondContact O-CH2 3.3Å; F262-W264 AromaticContact CD1-CD2 3.8Å; F262-W264 HydrophobicContact CD1-CD2 3.8Å; F262-W264 AromaticContact CD1-CE2 3.73Å; F262-W264 HydrophobicContact CD1-CE3 4.14Å; F262-W264 HydrophobicContact CD1-CG 4.2Å; F262-W264 HydrophobicContact CD1-CH2 4.37Å; F262-W264 HydrophobicContact CD1-CZ2 4.06Å; F262-W264 HydrophobicContact CD1-CZ3 4.4Å; F262-W264 HydrophobicContact CE1-CD2 4.38Å; F262-W264 HydrophobicContact CE1-CE3 4.33Å; F262-W264 PolarHBondContact O-N 1.79Å; F262-W264 PolarHBondContact O-NE1 3.39Å; W264-Q266 VanDerWaalsContact C-N 3.32Å; W264-Q266 PolarHBondContact O-N 3.3Å; W264-Q266 VanDerWaalsContact O-N 3.09Å; W264-V269 HydrophobicContact CE3-CG1 3.87Å; W264-V269 HydrophobicContact CZ3-CG1 4.38Å; W264-Y290 HydrophobicContact CD2-CE2 4.34Å; W264-Y290 AromaticContact CE3-CE2 3.92Å; W264-Y290 HydrophobicContact CE3-CE2 3.92Å; W264-Y290 AromaticContact CH2-CD2 3.95Å; W264-Y290 HydrophobicContact CH2-CD2 3.95Å; W264-Y290 AromaticContact CH2-CE2 3.72Å; W264-Y290 HydrophobicContact CH2-CE2 3.72Å; W264-Y290 HydrophobicContact CZ2-CD2 4.05Å; W264-Y290 HydrophobicContact CZ2-CE2 4.14Å; W264-Y290 HydrophobicContact CZ3-CD2 4.31Å; W264-Y290 AromaticContact CZ3-CE2 3.62Å; W264-Y290 HydrophobicContact CZ3-CE2 3.62Å; W264-Q291 HydrophobicContact CB-CB 4.34Å; W264-Q291 HydrophobicContact CB-CG 4.16Å; W264-Q291 VanDerWaalsContact CD1-CA 3.48Å; W264-Q291 HydrophobicContact CD2-CB 4.3Å; W264-Q291 HydrophobicContact CD2-CG 3.91Å; W264-Q291 HydrophobicContact CE3-CG 4.42Å; W264-Q291 HydrophobicContact CG-CB 3.79Å; W264-Q291 HydrophobicContact CG-CG 3.74Å; W264-Q291 PolarHBondContact NE1-O 3.47Å
265	N	94.8	Very high	94.9	Very high	143 Å²	143	56.8 Å²	56.8	77%	0.765	32%	0.316	S	S	*	.			trans	-86.4	72.8	177.4	-56.6	-44.3	0	0	0	109.8	N263	N263-N265 VanDerWaalsContact C-N 3.31Å; N263-N265 PolarHBondContact ND2-O 3.22Å; N263-N265 VanDerWaalsContact ND2-O 3.1Å; N263-N265 WeakPolarHBondContact OD1-CB 3.39Å; N263-N265 PolarHBondContact OD1-N 3.39Å
266	Q	92.1	Very high	94.8	Very high	64 Å²	64	57.8 Å²	57.8	30%	0.299	33%	0.325	S	S	.	.	S	Bend	trans	-139	136.8	176.9	-66.2	-176.2	82.9	0	0	110.1	F262 N263 W264 F268 V269	F262-Q266 VanDerWaalsContact CZ-NE2 3.31Å; N263-Q266 HydrophobicContact CB-CG 4.45Å; N263-Q266 WeakPolarHBondContact ND2-CG 3.44Å; N263-Q266 PolarHBondContact O-NE2 3.31Å; W264-Q266 VanDerWaalsContact C-N 3.32Å; W264-Q266 PolarHBondContact O-N 3.3Å; W264-Q266 VanDerWaalsContact O-N 3.09Å; Q266-F268 HydrophobicContact CB-CD1 4.17Å; Q266-F268 HydrophobicContact CB-CE1 3.79Å; Q266-F268 HydrophobicContact CB-CZ 4.09Å; Q266-F268 HydrophobicContact CG-CE1 4.33Å; Q266-F268 HydrophobicContact CG-CZ 4.49Å; Q266-F268 PolarHBondContact O-N 2.71Å; Q266-F268 VanDerWaalsContact OE1-CE1 3.24Å; Q266-F268 VanDerWaalsContact OE1-CZ 3.29Å; Q266-V269 HydrophobicContact CB-CG2 3.95Å; Q266-V269 WeakPolarHBondContact O-CB 3.41Å; Q266-V269 PolarHBondContact O-N 3.04Å
267	D	89.6	Confident	94.6	Very high	177 Å²	177	57.8 Å²	57.8	95%	0.947	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.4	-19	-169.3	-53.3	-30.9	0	0	0	115.5
268	F	88.8	Confident	94.3	Very high	88 Å²	88	62.5 Å²	62.5	39%	0.386	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2	177.4	64.9	-96.7	0	0	0	114.1	V208 E209 Q266 D270	V208-F268 HydrophobicContact CG2-CD2 4.03Å; V208-F268 HydrophobicContact CG2-CE2 3.97Å; E209-F268 WeakPolarHBondContact CB-O 3.41Å; Q266-F268 HydrophobicContact CB-CD1 4.17Å; Q266-F268 HydrophobicContact CB-CE1 3.79Å; Q266-F268 HydrophobicContact CB-CZ 4.09Å; Q266-F268 HydrophobicContact CG-CE1 4.33Å; Q266-F268 HydrophobicContact CG-CZ 4.49Å; Q266-F268 PolarHBondContact O-N 2.71Å; Q266-F268 VanDerWaalsContact OE1-CE1 3.24Å; Q266-F268 VanDerWaalsContact OE1-CZ 3.29Å; F268-D270 PolarHBondContact O-N 2.82Å
269	V	93.8	Very high	94	Very high	30 Å²	30	59.5 Å²	59.5	18%	0.182	34%	0.335	C	S	.	.			trans	-98.3	78.8	-178.6	-178	0	0	0	0	109	V208 F262 W264 Q266	V208-V269 HydrophobicContact CB-CG1 4.4Å; V208-V269 HydrophobicContact CB-CG2 4.29Å; V208-V269 HydrophobicContact CG2-CG2 4.34Å; V208-V269 CarbonylContact O-C 3.05Å; V208-V269 WeakPolarHBondContact O-CA 3.46Å; F262-V269 HydrophobicContact CE1-CG2 4.18Å; F262-V269 HydrophobicContact CZ-CG2 4.45Å; W264-V269 HydrophobicContact CE3-CG1 3.87Å; W264-V269 HydrophobicContact CZ3-CG1 4.38Å; Q266-V269 HydrophobicContact CB-CG2 3.95Å; Q266-V269 WeakPolarHBondContact O-CB 3.41Å; Q266-V269 PolarHBondContact O-N 3.04Å
270	D	94.2	Very high	93.6	Very high	83 Å²	83	59.1 Å²	59.1	44%	0.444	32%	0.322	S	S	.	.			trans	-108.5	0.5	-178.5	75.8	-38.6	0	0	0	114.1	V208 E209 N210 F268 P272	V208-D270 PolarHBondContact O-N 2.93Å; E209-D270 WeakPolarHBondContact CA-OD1 3.27Å; N210-D270 WeakPolarHBondContact CB-OD2 3.43Å; N210-D270 PolarHBondContact N-OD1 2.74Å; N210-D270 PolarHBondContact ND2-O 3.21Å; N210-D270 PolarHBondContact ND2-OD2 3.45Å; F268-D270 PolarHBondContact O-N 2.82Å; D270-P272 WeakPolarHBondContact O-CD 3.42Å
271	A	93.5	Very high	92.6	Very high	2 Å²	2	64 Å²	64	2%	0.017	35%	0.345	C	S	.	.			trans	-98.1	110.8	174.5	0	0	0	0	0	112.5	V208 K224	V208-A271 WeakPolarHBondContact O-CB 3.47Å; V208-A271 PolarHBondContact O-N 3.21Å; K224-A271 VanDerWaalsContact CE-CB 3.49Å
272	P	94.8	Very high	91.8	Very high	72 Å²	72	68 Å²	68	47%	0.468	36%	0.364	S	S	.	.			trans	-72.5	163.7	172.6	31	-35.3	0	0	0	112.2	S238 D270 T274	S238-P272 WeakPolarHBondContact CB-O 3.4Å; S238-P272 PolarHBondContact OG-O 3.37Å; D270-P272 WeakPolarHBondContact O-CD 3.42Å; P272-T274 PolarHBondContact O-N 2.68Å
273	L	96.7	Very high	91.4	Very high	27 Å²	27	69 Å²	69	14%	0.141	37%	0.37	C	S	.	.			trans	-69.3	118.7	166.3	179.8	71.7	0	0	0	110	S238 V239 I275 W287 Y290 Y302	S238-L273 CarbonylContact O-C 3.53Å; S238-L273 WeakPolarHBondContact O-CA 3.37Å; S238-L273 WeakPolarHBondContact O-CD1 3.3Å; V239-L273 HydrophobicContact CB-CD1 4.42Å; V239-L273 HydrophobicContact CG1-CD1 3.93Å; L273-I275 HydrophobicContact CD1-CD1 3.82Å; L273-I275 HydrophobicContact CD1-CG1 4.1Å; L273-I275 HydrophobicContact CD2-CD1 4.38Å; L273-I275 HydrophobicContact CG-CD1 4.21Å; L273-I275 HydrophobicContact CG-CG1 4.45Å; L273-W287 HydrophobicContact CD2-CB 4.02Å; L273-W287 HydrophobicContact CD2-CE3 4.04Å; L273-W287 WeakPolarHBondContact CD2-O 3.39Å; L273-Y290 HydrophobicContact CB-CD1 3.65Å; L273-Y290 HydrophobicContact CB-CD2 4.04Å; L273-Y290 HydrophobicContact CB-CE1 3.53Å; L273-Y290 HydrophobicContact CB-CE2 3.93Å; L273-Y290 HydrophobicContact CB-CG 3.9Å; L273-Y290 HydrophobicContact CD2-CD1 3.67Å; L273-Y290 HydrophobicContact CD2-CD2 4.38Å; L273-Y290 HydrophobicContact CD2-CE1 4.42Å; L273-Y290 HydrophobicContact CD2-CG 3.64Å; L273-Y290 HydrophobicContact CG-CD1 4.3Å; L273-Y290 HydrophobicContact CG-CG 4.34Å; L273-Y290 PolarHBondContact N-OH 3.04Å; L273-Y302 HydrophobicContact CD1-CE1 3.99Å
274	T	95.8	Very high	91.1	Very high	80 Å²	80	72.9 Å²	72.9	49%	0.491	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-134	107.4	178.5	-55.2	0	0	0	0	109.7	S238 P272	S238-T274 PolarHBondContact N-O 2.76Å; S238-T274 PolarHBondContact O-N 2.88Å; P272-T274 PolarHBondContact O-N 2.68Å
275	I	94.9	Very high	91	Very high	25 Å²	25	73 Å²	73	13%	0.128	39%	0.393	C	S	.	.			trans	-122.7	129.3	178	-58.7	163.7	0	0	0	108.3	L237 V239 L273 A277 F279 T280 W287 L305	L237-I275 HydrophobicContact CD2-CG2 3.99Å; V239-I275 HydrophobicContact CG1-CD1 4.32Å; V239-I275 HydrophobicContact CG1-CG1 4.12Å; L273-I275 HydrophobicContact CD1-CD1 3.82Å; L273-I275 HydrophobicContact CD1-CG1 4.1Å; L273-I275 HydrophobicContact CD2-CD1 4.38Å; L273-I275 HydrophobicContact CG-CD1 4.21Å; L273-I275 HydrophobicContact CG-CG1 4.45Å; I275-A277 PolarHBondContact O-N 3.24Å; I275-F279 HydrophobicContact CG2-CB 4Å; I275-T280 HydrophobicContact CB-CG2 3.87Å; I275-T280 HydrophobicContact CG2-CG2 3.65Å; I275-W287 HydrophobicContact CD1-CD2 3.74Å; I275-W287 HydrophobicContact CD1-CE3 3.35Å; I275-W287 HydrophobicContact CD1-CG 4.49Å; I275-W287 HydrophobicContact CD1-CH2 4.11Å; I275-W287 HydrophobicContact CD1-CZ2 4.41Å; I275-W287 HydrophobicContact CD1-CZ3 3.56Å; I275-L305 HydrophobicContact CD1-CD2 3.6Å; I275-L305 HydrophobicContact CG1-CD2 3.98Å; I275-L305 HydrophobicContact CG2-CD1 4Å; I275-L305 HydrophobicContact CG2-CD2 4.44Å
276	P	93	Very high	91	Very high	40 Å²	40	70 Å²	70	26%	0.26	38%	0.376	S	S	.	.			trans	-59.5	134.8	173.8	-22.4	32.5	0	0	0	111.9	T235 R278 F279	T235-P276 HydrophobicContact CG2-CG 3.62Å; P276-R278 HydrophobicContact CB-CG 4.29Å; P276-R278 PolarHBondContact O-N 3.35Å; P276-F279 HydrophobicContact CB-CD2 4.33Å; P276-F279 HydrophobicContact CG-CD2 4.43Å; P276-F279 PolarHBondContact O-N 2.84Å
277	A	89.8	Confident	91.2	Very high	63 Å²	63	68.4 Å²	68.4	52%	0.521	37%	0.368	S	S	.	.	H	α-helix	trans	-54.3	-27.1	-172.1	0	0	0	0	0	115	I275 F279 T280 Q281	I275-A277 PolarHBondContact O-N 3.24Å; A277-F279 PolarHBondContact O-N 3.23Å; A277-F279 VanDerWaalsContact O-N 3.14Å; A277-T280 PolarHBondContact O-N 3.46Å; A277-T280 PolarHBondContact O-OG1 2.61Å; A277-T280 VanDerWaalsContact O-OG1 3.1Å; A277-Q281 WeakPolarHBondContact O-CG 3.39Å; A277-Q281 PolarHBondContact O-N 2.71Å
278	R	89.3	Confident	91.5	Very high	101 Å²	101	65.7 Å²	65.7	38%	0.381	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-18.1	174.4	64	172.1	172.2	142.9	-5.4	114.9	Y202 T235 P276	Y202-R278 PolarHBondContact OH-NH1 2.96Å; Y202-R278 VanDerWaalsContact OH-NH1 3.15Å; T235-R278 PolarHBondContact OG1-NH2 3.32Å; P276-R278 HydrophobicContact CB-CG 4.29Å; P276-R278 PolarHBondContact O-N 3.35Å
279	F	89.9	Confident	91.9	Very high	8 Å²	8	67.8 Å²	67.8	4%	0.035	36%	0.363	C	S	.	.	H	α-helix	trans	-110.7	-8.1	178.2	-58.5	-56	0	0	0	114.2	Y202 T235 L237 I275 P276 A277 L283 L305 H308 I309	Y202-F279 HydrophobicContact CD1-CE2 4.09Å; Y202-F279 HydrophobicContact CD1-CZ 4.11Å; Y202-F279 AromaticContact CE1-CE2 3.65Å; Y202-F279 HydrophobicContact CE1-CE2 3.65Å; Y202-F279 AromaticContact CE1-CZ 3.36Å; Y202-F279 HydrophobicContact CE1-CZ 3.36Å; Y202-F279 AromaticContact CZ-CZ 3.73Å; T235-F279 HydrophobicContact CG2-CE2 4.04Å; L237-F279 HydrophobicContact CD2-CD2 4.32Å; I275-F279 HydrophobicContact CG2-CB 4Å; P276-F279 HydrophobicContact CB-CD2 4.33Å; P276-F279 HydrophobicContact CG-CD2 4.43Å; P276-F279 PolarHBondContact O-N 2.84Å; A277-F279 PolarHBondContact O-N 3.23Å; A277-F279 VanDerWaalsContact O-N 3.14Å; F279-L283 WeakPolarHBondContact O-CD1 3.5Å; F279-L305 HydrophobicContact CB-CD1 3.92Å; F279-H308 PolarHBondContact O-CD2 3.18Å; F279-I309 HydrophobicContact CD1-CG1 3.93Å; F279-I309 HydrophobicContact CD2-CG1 4.34Å; F279-I309 HydrophobicContact CE1-CG1 4.19Å; F279-I309 HydrophobicContact CG-CG1 4.03Å; F279-I309 HydrophobicContact CZ-CG1 4.49Å
280	T	88.2	Confident	92	Very high	42 Å²	42	67.4 Å²	67.4	26%	0.258	36%	0.359	S	S	.	.	H	α-helix	trans	-86.7	-28.5	172.7	60.1	0	0	0	0	111.5	I275 A277 W287	I275-T280 HydrophobicContact CB-CG2 3.87Å; I275-T280 HydrophobicContact CG2-CG2 3.65Å; A277-T280 PolarHBondContact O-N 3.46Å; A277-T280 PolarHBondContact O-OG1 2.61Å; A277-T280 VanDerWaalsContact O-OG1 3.1Å; T280-W287 HydrophobicContact CG2-CD2 4.44Å; T280-W287 HydrophobicContact CG2-CG 4.12Å
281	Q	78.2	Confident	92.2	Very high	117 Å²	117	68 Å²	68	55%	0.547	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	148.4	170.9	-68.8	168.8	7.5	0	0	111.3	A277 L283	A277-Q281 WeakPolarHBondContact O-CG 3.39Å; A277-Q281 PolarHBondContact O-N 2.71Å; Q281-L283 PolarHBondContact O-N 3.45Å
282	N	80.7	Confident	92.4	Very high	149 Å²	149	70.5 Å²	70.5	80%	0.797	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	66	-16.1	178.7	-46.3	-66.5	0	0	0	117.5
283	L	88.5	Confident	92.5	Very high	38 Å²	38	67.1 Å²	67.1	20%	0.199	35%	0.354	C	S	.	.	S	Bend	trans	-78.5	-18	178.4	-77.5	176.2	0	0	0	114.9	F279 Q281 I285 W287 K304 L305 H308	F279-L283 WeakPolarHBondContact O-CD1 3.5Å; Q281-L283 PolarHBondContact O-N 3.45Å; L283-I285 HydrophobicContact CB-CD1 4Å; L283-I285 HydrophobicContact CB-CG1 4.33Å; L283-I285 HydrophobicContact CD1-CD1 4.48Å; L283-I285 PolarHBondContact O-N 2.98Å; L283-W287 HydrophobicContact CB-CZ2 4.37Å; L283-W287 HydrophobicContact CD1-CH2 4.35Å; L283-W287 HydrophobicContact CD1-CZ2 3.79Å; L283-K304 HydrophobicContact CD2-CB 4.22Å; L283-L305 HydrophobicContact CD1-CB 4.37Å; L283-L305 HydrophobicContact CD1-CD1 4.05Å; L283-H308 HydrophobicContact CD1-CB 4.08Å; L283-H308 HydrophobicContact CD2-CB 3.88Å; L283-H308 HydrophobicContact CG-CB 4.28Å
284	N	89.9	Confident	92.6	Very high	164 Å²	164	67.5 Å²	67.5	88%	0.877	36%	0.356	S	S	*	.			trans	52.8	48.9	-178.2	-164.4	67.2	0	0	0	113.2
285	I	95.2	Very high	92.7	Very high	21 Å²	21	63.8 Å²	63.8	11%	0.108	33%	0.333	C	S	.	.			trans	-121	131.4	178	-67.2	166.3	0	0	0	107.9	L283 W287 W293 N301 K304	L283-I285 HydrophobicContact CB-CD1 4Å; L283-I285 HydrophobicContact CB-CG1 4.33Å; L283-I285 HydrophobicContact CD1-CD1 4.48Å; L283-I285 PolarHBondContact O-N 2.98Å; I285-W287 HydrophobicContact CB-CD2 4.32Å; I285-W287 HydrophobicContact CB-CH2 4.28Å; I285-W287 HydrophobicContact CB-CZ2 3.75Å; I285-W287 HydrophobicContact CD1-CH2 3.65Å; I285-W287 HydrophobicContact CD1-CZ2 3.62Å; I285-W287 HydrophobicContact CG1-CZ2 4.27Å; I285-W287 HydrophobicContact CG2-CD2 3.75Å; I285-W287 HydrophobicContact CG2-CE3 3.91Å; I285-W287 HydrophobicContact CG2-CG 4.33Å; I285-W287 HydrophobicContact CG2-CH2 3.96Å; I285-W287 HydrophobicContact CG2-CZ2 3.82Å; I285-W287 HydrophobicContact CG2-CZ3 4.01Å; I285-W287 PolarHBondContact O-N 2.62Å; I285-W287 VanDerWaalsContact O-N 3.17Å; I285-W287 PolarHBondContact O-NE1 3.36Å; I285-W293 HydrophobicContact CG2-CH2 3.48Å; I285-W293 VanDerWaalsContact CG2-CH2 3.48Å; I285-W293 HydrophobicContact CG2-CZ2 3.43Å; I285-W293 VanDerWaalsContact CG2-CZ2 3.43Å; I285-N301 HydrophobicContact CD1-CB 3.97Å; I285-N301 HydrophobicContact CG2-CB 4.2Å; I285-K304 HydrophobicContact CD1-CB 4.2Å; I285-K304 HydrophobicContact CD1-CD 3.83Å
286	D	94.9	Very high	92.9	Very high	79 Å²	79	63.1 Å²	63.1	42%	0.422	33%	0.33	S	S	.	.			trans	-83.7	85.7	173.2	-179.5	4.3	0	0	0	110.5	T288 R289 W293	D286-T288 PolarHBondContact O-N 3.11Å; D286-T288 VanDerWaalsContact O-N 3.14Å; D286-T288 WeakPolarHBondContact OD1-CB 3.42Å; D286-T288 PolarHBondContact OD1-N 3.17Å; D286-T288 VanDerWaalsContact OD1-N 3.1Å; D286-T288 PolarHBondContact OD1-OG1 3.1Å; D286-R289 PolarHBondContact O-N 3.14Å; D286-R289 VanDerWaalsContact O-N 3.11Å; D286-R289 WeakPolarHBondContact OD2-CD 3.49Å; D286-R289 VanDerWaalsContact OD2-CG 3.25Å; D286-R289 WeakPolarHBondContact OD2-CG 3.5Å; D286-W293 VanDerWaalsContact O-CZ2 3.29Å; D286-W293 WeakPolarHBondContact O-CZ2 3.39Å
287	W	96.4	Very high	93.2	Very high	31 Å²	31	64.8 Å²	64.8	12%	0.117	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-60.3	-19.7	179.6	-55.2	99.1	0	0	0	113.9	L273 I275 T280 L283 I285 R289 Y290 W293 N301 Y302 L305	L273-W287 HydrophobicContact CD2-CB 4.02Å; L273-W287 HydrophobicContact CD2-CE3 4.04Å; L273-W287 WeakPolarHBondContact CD2-O 3.39Å; I275-W287 HydrophobicContact CD1-CD2 3.74Å; I275-W287 HydrophobicContact CD1-CE3 3.35Å; I275-W287 HydrophobicContact CD1-CG 4.49Å; I275-W287 HydrophobicContact CD1-CH2 4.11Å; I275-W287 HydrophobicContact CD1-CZ2 4.41Å; I275-W287 HydrophobicContact CD1-CZ3 3.56Å; T280-W287 HydrophobicContact CG2-CD2 4.44Å; T280-W287 HydrophobicContact CG2-CG 4.12Å; L283-W287 HydrophobicContact CB-CZ2 4.37Å; L283-W287 HydrophobicContact CD1-CH2 4.35Å; L283-W287 HydrophobicContact CD1-CZ2 3.79Å; I285-W287 HydrophobicContact CB-CD2 4.32Å; I285-W287 HydrophobicContact CB-CH2 4.28Å; I285-W287 HydrophobicContact CB-CZ2 3.75Å; I285-W287 HydrophobicContact CD1-CH2 3.65Å; I285-W287 HydrophobicContact CD1-CZ2 3.62Å; I285-W287 HydrophobicContact CG1-CZ2 4.27Å; I285-W287 HydrophobicContact CG2-CD2 3.75Å; I285-W287 HydrophobicContact CG2-CE3 3.91Å; I285-W287 HydrophobicContact CG2-CG 4.33Å; I285-W287 HydrophobicContact CG2-CH2 3.96Å; I285-W287 HydrophobicContact CG2-CZ2 3.82Å; I285-W287 HydrophobicContact CG2-CZ3 4.01Å; I285-W287 PolarHBondContact O-N 2.62Å; I285-W287 VanDerWaalsContact O-N 3.17Å; I285-W287 PolarHBondContact O-NE1 3.36Å; W287-R289 PolarHBondContact O-N 3.33Å; W287-Y290 WeakPolarHBondContact O-CD1 3.47Å; W287-Y290 PolarHBondContact O-N 2.82Å; W287-W293 HydrophobicContact CD2-CH2 4.43Å; W287-W293 AromaticContact CE3-CH2 3.63Å; W287-W293 HydrophobicContact CE3-CH2 3.63Å; W287-W293 HydrophobicContact CE3-CZ3 4.33Å; W287-W293 AromaticContact CZ3-CH2 3.91Å; W287-W293 HydrophobicContact CZ3-CH2 3.91Å; W287-W293 HydrophobicContact CZ3-CZ3 4.35Å; W287-N301 HydrophobicContact CZ3-CB 4.48Å; W287-Y302 HydrophobicContact CZ3-CD1 4.33Å; W287-Y302 HydrophobicContact CZ3-CE1 4.46Å; W287-L305 HydrophobicContact CH2-CB 3.98Å; W287-L305 HydrophobicContact CH2-CD1 4.4Å; W287-L305 HydrophobicContact CH2-CD2 4.33Å; W287-L305 HydrophobicContact CH2-CG 4.47Å; W287-L305 HydrophobicContact CZ3-CD2 4.47Å
288	T	95.4	Very high	93.6	Very high	120 Å²	120	61.9 Å²	61.9	74%	0.736	31%	0.31	S	S	*	.	G	3₁₀ helix	trans	-67.4	-28.1	177.3	74.1	0	0	0	0	111.6	D286 Y290	D286-T288 PolarHBondContact O-N 3.11Å; D286-T288 VanDerWaalsContact O-N 3.14Å; D286-T288 WeakPolarHBondContact OD1-CB 3.42Å; D286-T288 PolarHBondContact OD1-N 3.17Å; D286-T288 VanDerWaalsContact OD1-N 3.1Å; D286-T288 PolarHBondContact OD1-OG1 3.1Å; T288-Y290 VanDerWaalsContact C-N 3.34Å; T288-Y290 PolarHBondContact O-N 3.44Å
289	R	96	Very high	94	Very high	132 Å²	132	57.1 Å²	57.1	50%	0.498	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-88.9	10.6	-176.8	-76.7	-170.3	61.2	-148.9	-14	114.8	D286 W287 Q291 S292	D286-R289 PolarHBondContact O-N 3.14Å; D286-R289 VanDerWaalsContact O-N 3.11Å; D286-R289 WeakPolarHBondContact OD2-CD 3.49Å; D286-R289 VanDerWaalsContact OD2-CG 3.25Å; D286-R289 WeakPolarHBondContact OD2-CG 3.5Å; W287-R289 PolarHBondContact O-N 3.33Å; R289-Q291 PolarHBondContact O-N 3.46Å; R289-S292 PolarHBondContact NE-OG 3.44Å; R289-S292 PolarHBondContact NH2-OG 3.17Å; R289-S292 WeakPolarHBondContact O-CA 3.25Å; R289-S292 PolarHBondContact O-N 2.98Å; R289-S292 PolarHBondContact O-OG 3.28Å
290	Y	97.2	Very high	94.4	Very high	22 Å²	22	58.7 Å²	58.7	9%	0.086	30%	0.3	C	S	.	.	G	3₁₀ helix	trans	-56.9	-27.9	-173.5	85.5	-85.4	0	0	0	114.8	P240 W264 L273 W287 T288 S292	P240-Y290 HydrophobicContact CG-CE2 3.99Å; W264-Y290 HydrophobicContact CD2-CE2 4.34Å; W264-Y290 AromaticContact CE3-CE2 3.92Å; W264-Y290 HydrophobicContact CE3-CE2 3.92Å; W264-Y290 AromaticContact CH2-CD2 3.95Å; W264-Y290 HydrophobicContact CH2-CD2 3.95Å; W264-Y290 AromaticContact CH2-CE2 3.72Å; W264-Y290 HydrophobicContact CH2-CE2 3.72Å; W264-Y290 HydrophobicContact CZ2-CD2 4.05Å; W264-Y290 HydrophobicContact CZ2-CE2 4.14Å; W264-Y290 HydrophobicContact CZ3-CD2 4.31Å; W264-Y290 AromaticContact CZ3-CE2 3.62Å; W264-Y290 HydrophobicContact CZ3-CE2 3.62Å; L273-Y290 HydrophobicContact CB-CD1 3.65Å; L273-Y290 HydrophobicContact CB-CD2 4.04Å; L273-Y290 HydrophobicContact CB-CE1 3.53Å; L273-Y290 HydrophobicContact CB-CE2 3.93Å; L273-Y290 HydrophobicContact CB-CG 3.9Å; L273-Y290 HydrophobicContact CD2-CD1 3.67Å; L273-Y290 HydrophobicContact CD2-CD2 4.38Å; L273-Y290 HydrophobicContact CD2-CE1 4.42Å; L273-Y290 HydrophobicContact CD2-CG 3.64Å; L273-Y290 HydrophobicContact CG-CD1 4.3Å; L273-Y290 HydrophobicContact CG-CG 4.34Å; L273-Y290 PolarHBondContact N-OH 3.04Å; W287-Y290 WeakPolarHBondContact O-CD1 3.47Å; W287-Y290 PolarHBondContact O-N 2.82Å; T288-Y290 VanDerWaalsContact C-N 3.34Å; T288-Y290 PolarHBondContact O-N 3.44Å; Y290-S292 VanDerWaalsContact C-N 3.26Å; Y290-S292 PolarHBondContact O-N 2.99Å
291	Q	97.3	Very high	94.9	Very high	95 Å²	95	56.9 Å²	56.9	44%	0.444	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-75.5	-12.7	176.4	-60.6	-174.3	-3.6	0	0	114	W264 R289	W264-Q291 HydrophobicContact CB-CB 4.34Å; W264-Q291 HydrophobicContact CB-CG 4.16Å; W264-Q291 VanDerWaalsContact CD1-CA 3.48Å; W264-Q291 HydrophobicContact CD2-CB 4.3Å; W264-Q291 HydrophobicContact CD2-CG 3.91Å; W264-Q291 HydrophobicContact CE3-CG 4.42Å; W264-Q291 HydrophobicContact CG-CB 3.79Å; W264-Q291 HydrophobicContact CG-CG 3.74Å; W264-Q291 PolarHBondContact NE1-O 3.47Å; R289-Q291 PolarHBondContact O-N 3.46Å
292	S	97.8	Very high	95.9	Very high	54 Å²	54	51.4 Å²	51.4	38%	0.378	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-104	-2.4	178.8	71.9	0	0	0	0	114	R289 Y290	R289-S292 PolarHBondContact NE-OG 3.44Å; R289-S292 PolarHBondContact NH2-OG 3.17Å; R289-S292 WeakPolarHBondContact O-CA 3.25Å; R289-S292 PolarHBondContact O-N 2.98Å; R289-S292 PolarHBondContact O-OG 3.28Å; Y290-S292 VanDerWaalsContact C-N 3.26Å; Y290-S292 PolarHBondContact O-N 2.99Å
293	W	98.4	Very high	96.7	Very high	2 Å²	2	44.3 Å²	44.3	1%	0.008	23%	0.225	C	C	.	.			trans	-73.5	142.1	176.7	-64.5	-21.6	0	0	0	111	I285 D286 W287 E297 Q298 N301 Y302	I285-W293 HydrophobicContact CG2-CH2 3.48Å; I285-W293 VanDerWaalsContact CG2-CH2 3.48Å; I285-W293 HydrophobicContact CG2-CZ2 3.43Å; I285-W293 VanDerWaalsContact CG2-CZ2 3.43Å; D286-W293 VanDerWaalsContact O-CZ2 3.29Å; D286-W293 WeakPolarHBondContact O-CZ2 3.39Å; W287-W293 HydrophobicContact CD2-CH2 4.43Å; W287-W293 AromaticContact CE3-CH2 3.63Å; W287-W293 HydrophobicContact CE3-CH2 3.63Å; W287-W293 HydrophobicContact CE3-CZ3 4.33Å; W287-W293 AromaticContact CZ3-CH2 3.91Å; W287-W293 HydrophobicContact CZ3-CH2 3.91Å; W287-W293 HydrophobicContact CZ3-CZ3 4.35Å; W293-E297 HydrophobicContact CB-CB 4.11Å; W293-E297 HydrophobicContact CB-CG 4.08Å; W293-E297 HydrophobicContact CD2-CG 4.1Å; W293-E297 HydrophobicContact CG-CB 4.31Å; W293-E297 HydrophobicContact CG-CG 3.73Å; W293-E297 PolarHBondContact NE1-OE1 2.93Å; W293-Q298 HydrophobicContact CB-CB 4.18Å; W293-Q298 HydrophobicContact CE3-CB 4.18Å; W293-Q298 HydrophobicContact CE3-CG 4.22Å; W293-N301 VanDerWaalsContact CE2-ND2 3.33Å; W293-N301 HydrophobicContact CE3-CB 4.26Å; W293-N301 HydrophobicContact CH2-CB 3.84Å; W293-N301 WeakPolarHBondContact CH2-ND2 3.22Å; W293-N301 HydrophobicContact CZ2-CB 4.47Å; W293-N301 WeakPolarHBondContact CZ2-ND2 3.34Å; W293-N301 HydrophobicContact CZ3-CB 3.72Å; W293-Y302 HydrophobicContact CZ3-CD1 4.5Å; W293-Y302 AromaticContact CZ3-CE1 4Å; W293-Y302 HydrophobicContact CZ3-CE1 4Å
294	D	98.3	Very high	97.2	Very high	35 Å²	35	44.4 Å²	44.4	19%	0.187	22%	0.224	C	C	.	.	B	Isolated β-bridge	trans	-75.4	170	164.5	73.6	20.7	0	0	0	111.3	G259 L260 V261 V296 E297 Q298	G259-D294 PolarHBondContact N-OD2 2.94Å; L260-D294 CarbonylContact O-C 3.6Å; L260-D294 WeakPolarHBondContact O-CA 3.25Å; V261-D294 HydrophobicContact CG2-CB 4.24Å; D294-V296 PolarHBondContact O-N 2.89Å; D294-V296 VanDerWaalsContact O-N 3.16Å; D294-V296 WeakPolarHBondContact OD1-CA 3.42Å; D294-V296 WeakPolarHBondContact OD1-CB 3.21Å; D294-V296 PolarHBondContact OD1-N 3.49Å; D294-E297 PolarHBondContact O-N 2.91Å; D294-E297 PolarHBondContact OD1-N 3.33Å; D294-Q298 WeakPolarHBondContact O-CB 3.48Å; D294-Q298 PolarHBondContact O-N 3.32Å
295	L	98.4	Very high	97.5	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	18%	0.182	C	C	.	.	H	α-helix	trans	-57.5	-27.5	179.8	-176.8	59.8	0	0	0	112.7	Y241 F246 F247 A257 L260 T299 F384	Y241-L295 HydrophobicContact CE2-CD1 4.49Å; Y241-L295 WeakPolarHBondContact OH-CD1 3.25Å; F246-L295 HydrophobicContact CD1-CD1 4.36Å; F246-L295 HydrophobicContact CE1-CB 4.35Å; F246-L295 HydrophobicContact CE1-CD1 4.2Å; F246-L295 HydrophobicContact CE1-CD2 4.35Å; F247-L295 HydrophobicContact CD1-CD2 4.27Å; F247-L295 HydrophobicContact CE1-CD1 4.01Å; F247-L295 HydrophobicContact CE1-CD2 3.81Å; F247-L295 HydrophobicContact CE1-CG 4.41Å; F247-L295 HydrophobicContact CZ-CD1 3.86Å; F247-L295 HydrophobicContact CZ-CD2 4.41Å; A257-L295 HydrophobicContact CB-CB 4.31Å; A257-L295 HydrophobicContact CB-CD2 4.12Å; A257-L295 HydrophobicContact CB-CG 4.39Å; L260-L295 HydrophobicContact CB-CB 4.48Å; L260-L295 HydrophobicContact CD2-CD2 4Å; L260-L295 PolarHBondContact O-N 3.11Å; L295-T299 WeakPolarHBondContact O-CB 3.31Å; L295-T299 PolarHBondContact O-N 3.22Å; L295-T299 PolarHBondContact O-OG1 3.37Å; L295-F384 HydrophobicContact CD1-CZ 4.26Å; L295-F384 HydrophobicContact CD2-CD2 4.13Å; L295-F384 HydrophobicContact CD2-CE2 3.69Å; L295-F384 HydrophobicContact CD2-CZ 4.17Å; L295-F384 HydrophobicContact CG-CE2 3.76Å; L295-F384 HydrophobicContact CG-CZ 3.79Å
296	V	98.4	Very high	97.6	Very high	11 Å²	11	35.9 Å²	35.9	7%	0.067	18%	0.178	C	C	.	.	H	α-helix	trans	-75.5	-53.3	176.5	179.5	0	0	0	0	110.4	A257 E258 D294 Q298 T299 Q300 F388 H391	A257-V296 HydrophobicContact CB-CG2 3.58Å; E258-V296 HydrophobicContact CG-CG2 4.23Å; D294-V296 PolarHBondContact O-N 2.89Å; D294-V296 VanDerWaalsContact O-N 3.16Å; D294-V296 WeakPolarHBondContact OD1-CA 3.42Å; D294-V296 WeakPolarHBondContact OD1-CB 3.21Å; D294-V296 PolarHBondContact OD1-N 3.49Å; V296-Q298 PolarHBondContact O-N 3.21Å; V296-T299 PolarHBondContact O-N 2.81Å; V296-Q300 HydrophobicContact CG1-CG 4.43Å; V296-Q300 WeakPolarHBondContact O-CB 3.39Å; V296-Q300 WeakPolarHBondContact O-CG 3.42Å; V296-Q300 PolarHBondContact O-N 3.24Å; V296-F388 HydrophobicContact CG1-CE2 4.16Å; V296-H391 HydrophobicContact CG1-CB 4.15Å; V296-H391 WeakPolarHBondContact CG1-ND1 3.44Å
297	E	98.4	Very high	97.7	Very high	76 Å²	76	32.6 Å²	32.6	36%	0.355	16%	0.16	S	C	.	.	H	α-helix	trans	-61.4	-43.2	179.8	178.8	168.9	-160.1	0	0	111.4	W293 D294 Q300 N301	W293-E297 HydrophobicContact CB-CB 4.11Å; W293-E297 HydrophobicContact CB-CG 4.08Å; W293-E297 HydrophobicContact CD2-CG 4.1Å; W293-E297 HydrophobicContact CG-CB 4.31Å; W293-E297 HydrophobicContact CG-CG 3.73Å; W293-E297 PolarHBondContact NE1-OE1 2.93Å; D294-E297 PolarHBondContact O-N 2.91Å; D294-E297 PolarHBondContact OD1-N 3.33Å; E297-Q300 PolarHBondContact O-N 3.08Å; E297-N301 VanDerWaalsContact CG-ND2 3.27Å; E297-N301 WeakPolarHBondContact CG-ND2 3.18Å; E297-N301 VanDerWaalsContact O-CB 3.26Å; E297-N301 WeakPolarHBondContact O-CB 3.44Å; E297-N301 PolarHBondContact O-N 3.2Å; E297-N301 PolarHBondContact O-ND2 2.98Å; E297-N301 PolarHBondContact OE1-ND2 3.35Å
298	Q	98.5	Very high	97.6	Very high	2 Å²	2	32.8 Å²	32.8	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-61.7	-47.4	177.9	-171.8	178.9	19.1	0	0	111.7	P240 Y241 W293 D294 V296 Q300 N301 Y302	P240-Q298 PolarHBondContact O-NE2 3.29Å; Y241-Q298 HydrophobicContact CD2-CG 4.1Å; Y241-Q298 HydrophobicContact CE2-CG 4.31Å; W293-Q298 HydrophobicContact CB-CB 4.18Å; W293-Q298 HydrophobicContact CE3-CB 4.18Å; W293-Q298 HydrophobicContact CE3-CG 4.22Å; D294-Q298 WeakPolarHBondContact O-CB 3.48Å; D294-Q298 PolarHBondContact O-N 3.32Å; V296-Q298 PolarHBondContact O-N 3.21Å; Q298-Q300 PolarHBondContact O-N 3.02Å; Q298-N301 PolarHBondContact O-N 2.98Å; Q298-Y302 HydrophobicContact CG-CD2 4.25Å; Q298-Y302 HydrophobicContact CG-CE1 4.44Å; Q298-Y302 HydrophobicContact CG-CE2 3.86Å; Q298-Y302 PolarHBondContact NE2-OH 2.78Å; Q298-Y302 PolarHBondContact O-N 3.05Å
299	T	98.8	Very high	97.6	Very high	0 Å²	0	27 Å²	27	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.9	-42.8	178.3	-52.5	0	0	0	0	111.3	Y241 L295 V296 L303 F332 L335 F384 F388	Y241-T299 PolarHBondContact OH-OG1 3.27Å; L295-T299 WeakPolarHBondContact O-CB 3.31Å; L295-T299 PolarHBondContact O-N 3.22Å; L295-T299 PolarHBondContact O-OG1 3.37Å; V296-T299 PolarHBondContact O-N 2.81Å; T299-L303 WeakPolarHBondContact O-CB 3.39Å; T299-L303 PolarHBondContact O-N 3.27Å; T299-F332 HydrophobicContact CG2-CE1 4.26Å; T299-F332 HydrophobicContact CG2-CZ 4.27Å; T299-L335 HydrophobicContact CG2-CD1 3.67Å; T299-F384 HydrophobicContact CG2-CE1 4.18Å; T299-F384 HydrophobicContact CG2-CZ 4.45Å; T299-F388 VanDerWaalsContact CB-CZ 3.49Å; T299-F388 HydrophobicContact CG2-CD1 4.02Å; T299-F388 HydrophobicContact CG2-CD2 4.26Å; T299-F388 HydrophobicContact CG2-CE1 3.5Å; T299-F388 VanDerWaalsContact CG2-CE1 3.5Å; T299-F388 HydrophobicContact CG2-CE2 3.8Å; T299-F388 HydrophobicContact CG2-CG 4.38Å; T299-F388 HydrophobicContact CG2-CZ 3.39Å
300	Q	98.5	Very high	97.5	Very high	42 Å²	42	21 Å²	21	20%	0.196	11%	0.105	C	C	.	.	H	α-helix	trans	-60.6	-45.6	174.8	-78.1	-169.7	-6.2	0	0	111.9	V296 E297 Q298 L303 K304 F388 H391 F397	V296-Q300 HydrophobicContact CG1-CG 4.43Å; V296-Q300 WeakPolarHBondContact O-CB 3.39Å; V296-Q300 WeakPolarHBondContact O-CG 3.42Å; V296-Q300 PolarHBondContact O-N 3.24Å; E297-Q300 PolarHBondContact O-N 3.08Å; Q298-Q300 PolarHBondContact O-N 3.02Å; Q300-L303 PolarHBondContact O-N 2.99Å; Q300-K304 WeakPolarHBondContact O-CD 3.35Å; Q300-K304 WeakPolarHBondContact O-CG 3.5Å; Q300-K304 PolarHBondContact O-N 3.01Å; Q300-F388 HydrophobicContact CG-CE2 4.46Å; Q300-F388 HydrophobicContact CG-CZ 3.85Å; Q300-H391 PolarHBondContact NE2-O 2.86Å; Q300-F397 HydrophobicContact CB-CE1 3.83Å; Q300-F397 HydrophobicContact CB-CZ 3.87Å; Q300-F397 HydrophobicContact CG-CE1 3.88Å; Q300-F397 HydrophobicContact CG-CZ 3.56Å
301	N	98.3	Very high	97.3	Very high	3 Å²	3	21.5 Å²	21.5	2%	0.016	11%	0.109	C	C	.	.	H	α-helix	trans	-70.4	-37.3	-175.4	-72.1	-12.7	0	0	0	112	I285 W287 W293 E297 Q298 K304 L305	I285-N301 HydrophobicContact CD1-CB 3.97Å; I285-N301 HydrophobicContact CG2-CB 4.2Å; W287-N301 HydrophobicContact CZ3-CB 4.48Å; W293-N301 VanDerWaalsContact CE2-ND2 3.33Å; W293-N301 HydrophobicContact CE3-CB 4.26Å; W293-N301 HydrophobicContact CH2-CB 3.84Å; W293-N301 WeakPolarHBondContact CH2-ND2 3.22Å; W293-N301 HydrophobicContact CZ2-CB 4.47Å; W293-N301 WeakPolarHBondContact CZ2-ND2 3.34Å; W293-N301 HydrophobicContact CZ3-CB 3.72Å; E297-N301 VanDerWaalsContact CG-ND2 3.27Å; E297-N301 WeakPolarHBondContact CG-ND2 3.18Å; E297-N301 VanDerWaalsContact O-CB 3.26Å; E297-N301 WeakPolarHBondContact O-CB 3.44Å; E297-N301 PolarHBondContact O-N 3.2Å; E297-N301 PolarHBondContact O-ND2 2.98Å; E297-N301 PolarHBondContact OE1-ND2 3.35Å; Q298-N301 PolarHBondContact O-N 2.98Å; N301-K304 PolarHBondContact OD1-NZ 2.91Å; N301-L305 PolarHBondContact O-N 2.84Å; N301-L305 VanDerWaalsContact O-N 3.11Å
302	Y	98.5	Very high	97	Very high	2 Å²	2	18 Å²	18	1%	0.008	10%	0.095	C	C	.	.	H	α-helix	trans	-71.3	-37.8	172.4	-67.9	-2.1	0	0	0	112.1	V239 P240 Y241 L273 W287 W293 Q298 K304 L305 L306 F332	V239-Y302 HydrophobicContact CB-CD2 4.24Å; V239-Y302 HydrophobicContact CB-CE1 4.32Å; V239-Y302 HydrophobicContact CB-CE2 4.05Å; V239-Y302 HydrophobicContact CB-CG 4.49Å; V239-Y302 HydrophobicContact CG1-CE1 4.42Å; V239-Y302 WeakPolarHBondContact O-CE2 3.27Å; P240-Y302 WeakPolarHBondContact O-CE2 3.34Å; P240-Y302 PolarHBondContact O-OH 2.97Å; Y241-Y302 AromaticContact CD2-CD2 3.79Å; Y241-Y302 HydrophobicContact CD2-CD2 3.79Å; Y241-Y302 AromaticContact CD2-CE2 3.92Å; Y241-Y302 HydrophobicContact CD2-CE2 3.92Å; Y241-Y302 HydrophobicContact CG-CE2 4.49Å; L273-Y302 HydrophobicContact CD1-CE1 3.99Å; W287-Y302 HydrophobicContact CZ3-CD1 4.33Å; W287-Y302 HydrophobicContact CZ3-CE1 4.46Å; W293-Y302 HydrophobicContact CZ3-CD1 4.5Å; W293-Y302 AromaticContact CZ3-CE1 4Å; W293-Y302 HydrophobicContact CZ3-CE1 4Å; Q298-Y302 HydrophobicContact CG-CD2 4.25Å; Q298-Y302 HydrophobicContact CG-CE1 4.44Å; Q298-Y302 HydrophobicContact CG-CE2 3.86Å; Q298-Y302 PolarHBondContact NE2-OH 2.78Å; Q298-Y302 PolarHBondContact O-N 3.05Å; Y302-K304 PolarHBondContact O-N 2.87Å; Y302-L305 WeakPolarHBondContact O-CB 3.16Å; Y302-L305 PolarHBondContact O-N 3.12Å; Y302-L306 WeakPolarHBondContact O-CG 3.4Å; Y302-L306 PolarHBondContact O-N 3.42Å; Y302-F332 HydrophobicContact CD2-CZ 4.1Å; Y302-F332 HydrophobicContact CG-CZ 4.49Å
303	L	98.4	Very high	96.5	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.121	C	C	.	.	H	α-helix	trans	-62.7	-44.1	173.6	-176.2	63.9	0	0	0	111.8	T299 Q300 L305 L306 L307 L335 L336 I392 F397	T299-L303 WeakPolarHBondContact O-CB 3.39Å; T299-L303 PolarHBondContact O-N 3.27Å; Q300-L303 PolarHBondContact O-N 2.99Å; L303-L305 VanDerWaalsContact C-N 3.28Å; L303-L305 PolarHBondContact O-N 3.1Å; L303-L306 PolarHBondContact O-N 3.22Å; L303-L307 HydrophobicContact CD1-CD1 4.32Å; L303-L307 HydrophobicContact CD1-CG 4.27Å; L303-L307 HydrophobicContact CD2-CD1 4.47Å; L303-L307 HydrophobicContact CG-CD1 3.89Å; L303-L307 HydrophobicContact CG-CG 4.31Å; L303-L307 WeakPolarHBondContact O-CB 2.99Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.42Å; L303-L307 PolarHBondContact O-N 2.77Å; L303-L335 HydrophobicContact CD1-CB 3.96Å; L303-L335 HydrophobicContact CD2-CB 4.3Å; L303-L336 HydrophobicContact CD1-CD2 3.92Å; L303-L336 HydrophobicContact CD1-CG 4.1Å; L303-I392 HydrophobicContact CD2-CB 4.38Å; L303-I392 HydrophobicContact CD2-CD1 3.9Å; L303-I392 HydrophobicContact CD2-CG2 3.81Å; L303-F397 HydrophobicContact CD2-CD1 4.14Å
304	K	97.3	Very high	96.2	Very high	41 Å²	41	25 Å²	25	18%	0.178	13%	0.129	C	C	.	.	H	α-helix	trans	-56.3	-41.8	173.6	-69.9	162.5	-158	160.3	0	111.7	L283 I285 Q300 N301 Y302 H308 F397	L283-K304 HydrophobicContact CD2-CB 4.22Å; I285-K304 HydrophobicContact CD1-CB 4.2Å; I285-K304 HydrophobicContact CD1-CD 3.83Å; Q300-K304 WeakPolarHBondContact O-CD 3.35Å; Q300-K304 WeakPolarHBondContact O-CG 3.5Å; Q300-K304 PolarHBondContact O-N 3.01Å; N301-K304 PolarHBondContact OD1-NZ 2.91Å; Y302-K304 PolarHBondContact O-N 2.87Å; K304-H308 VanDerWaalsContact O-CB 3.3Å; K304-H308 WeakPolarHBondContact O-CB 3.47Å; K304-H308 PolarHBondContact O-N 3.27Å; K304-F397 HydrophobicContact CD-CE1 4.19Å; K304-F397 VanDerWaalsContact CE-CE1 3.43Å; K304-F397 HydrophobicContact CG-CD1 4.01Å; K304-F397 HydrophobicContact CG-CE1 3.74Å
305	L	97.6	Very high	95.9	Very high	2 Å²	2	30.1 Å²	30.1	1%	0.01	16%	0.156	C	C	.	.	H	α-helix	trans	-63.3	-48.6	177.1	-179.7	64.7	0	0	0	112.1	V239 I275 F279 L283 W287 N301 Y302 L303 H308 I309	V239-L305 HydrophobicContact CG1-CD2 3.73Å; I275-L305 HydrophobicContact CD1-CD2 3.6Å; I275-L305 HydrophobicContact CG1-CD2 3.98Å; I275-L305 HydrophobicContact CG2-CD1 4Å; I275-L305 HydrophobicContact CG2-CD2 4.44Å; F279-L305 HydrophobicContact CB-CD1 3.92Å; L283-L305 HydrophobicContact CD1-CB 4.37Å; L283-L305 HydrophobicContact CD1-CD1 4.05Å; W287-L305 HydrophobicContact CH2-CB 3.98Å; W287-L305 HydrophobicContact CH2-CD1 4.4Å; W287-L305 HydrophobicContact CH2-CD2 4.33Å; W287-L305 HydrophobicContact CH2-CG 4.47Å; W287-L305 HydrophobicContact CZ3-CD2 4.47Å; N301-L305 PolarHBondContact O-N 2.84Å; N301-L305 VanDerWaalsContact O-N 3.11Å; Y302-L305 WeakPolarHBondContact O-CB 3.16Å; Y302-L305 PolarHBondContact O-N 3.12Å; L303-L305 VanDerWaalsContact C-N 3.28Å; L303-L305 PolarHBondContact O-N 3.1Å; L305-H308 WeakPolarHBondContact O-CB 3.48Å; L305-H308 PolarHBondContact O-N 3.18Å; L305-I309 HydrophobicContact CD1-CD1 3.96Å; L305-I309 HydrophobicContact CD1-CG1 4.42Å; L305-I309 HydrophobicContact CG-CD1 3.8Å; L305-I309 WeakPolarHBondContact O-CD1 3.49Å; L305-I309 VanDerWaalsContact O-CG1 3.27Å; L305-I309 WeakPolarHBondContact O-CG1 3.28Å; L305-I309 PolarHBondContact O-N 2.79Å
306	L	97.7	Very high	95.7	Very high	3 Å²	3	30.8 Å²	30.8	2%	0.016	16%	0.161	C	C	.	.	H	α-helix	trans	-66.2	-40.4	-179.9	-60.2	177.9	0	0	0	111.6	C204 Y302 L303 H308 I309 I310 L318 V320 F332 L336	C204-L306 HydrophobicContact CB-CD2 3.89Å; Y302-L306 WeakPolarHBondContact O-CG 3.4Å; Y302-L306 PolarHBondContact O-N 3.42Å; L303-L306 PolarHBondContact O-N 3.22Å; L306-H308 VanDerWaalsContact C-N 3.34Å; L306-H308 PolarHBondContact O-N 3.13Å; L306-I309 PolarHBondContact O-N 3.24Å; L306-I310 PolarHBondContact O-N 2.88Å; L306-I310 VanDerWaalsContact O-N 3.08Å; L306-L318 HydrophobicContact CB-CD2 4.37Å; L306-L318 HydrophobicContact CD2-CD1 4.35Å; L306-L318 HydrophobicContact CD2-CD2 4.09Å; L306-V320 HydrophobicContact CD1-CG2 4.34Å; L306-F332 HydrophobicContact CD1-CB 4.09Å; L306-F332 HydrophobicContact CD1-CD1 3.91Å; L306-F332 HydrophobicContact CD1-CG 4.21Å; L306-L336 HydrophobicContact CB-CD1 4.11Å; L306-L336 HydrophobicContact CB-CD2 3.95Å; L306-L336 HydrophobicContact CB-CG 4.44Å; L306-L336 HydrophobicContact CD1-CD1 4.09Å
307	L	96.3	Very high	95.7	Very high	10 Å²	10	30.3 Å²	30.3	5%	0.052	16%	0.158	C	C	.	.	H	α-helix	trans	-61.1	-40	171.7	-71	169.7	0	0	0	112	L303 I310 N311 L336 F397 A399	L303-L307 HydrophobicContact CD1-CD1 4.32Å; L303-L307 HydrophobicContact CD1-CG 4.27Å; L303-L307 HydrophobicContact CD2-CD1 4.47Å; L303-L307 HydrophobicContact CG-CD1 3.89Å; L303-L307 HydrophobicContact CG-CG 4.31Å; L303-L307 WeakPolarHBondContact O-CB 2.99Å; L303-L307 VanDerWaalsContact O-CG 3.27Å; L303-L307 WeakPolarHBondContact O-CG 3.42Å; L303-L307 PolarHBondContact O-N 2.77Å; L307-I310 HydrophobicContact CD2-CD1 4.33Å; L307-I310 WeakPolarHBondContact O-CG1 3.4Å; L307-N311 WeakPolarHBondContact O-CB 3.42Å; L307-N311 PolarHBondContact O-N 3.22Å; L307-N311 PolarHBondContact O-ND2 3.38Å; L307-L336 HydrophobicContact CD2-CD2 3.84Å; L307-L336 HydrophobicContact CG-CD2 4.08Å; L307-F397 HydrophobicContact CD1-CB 4.29Å; L307-F397 VanDerWaalsContact CD1-O 3.28Å; L307-F397 WeakPolarHBondContact CD1-O 3.33Å; L307-A399 HydrophobicContact CD2-CB 4.42Å
308	H	94.8	Very high	95.7	Very high	35 Å²	35	26.7 Å²	26.7	16%	0.162	14%	0.141	C	C	.	.	H	α-helix	trans	-65.7	-41.7	175.8	177.5	25.6	0	0	0	112.2	F279 L283 K304 L305 L306 N311 S312	F279-H308 PolarHBondContact O-CD2 3.18Å; L283-H308 HydrophobicContact CD1-CB 4.08Å; L283-H308 HydrophobicContact CD2-CB 3.88Å; L283-H308 HydrophobicContact CG-CB 4.28Å; K304-H308 VanDerWaalsContact O-CB 3.3Å; K304-H308 WeakPolarHBondContact O-CB 3.47Å; K304-H308 PolarHBondContact O-N 3.27Å; L305-H308 WeakPolarHBondContact O-CB 3.48Å; L305-H308 PolarHBondContact O-N 3.18Å; L306-H308 VanDerWaalsContact C-N 3.34Å; L306-H308 PolarHBondContact O-N 3.13Å; H308-N311 CarbonylContact O-C 3.54Å; H308-N311 PolarHBondContact O-N 2.94Å; H308-S312 PolarHBondContact O-N 2.98Å
309	I	94.7	Very high	95.7	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-45.8	-179.5	-70.3	159	0	0	0	111.5	Y202 L237 F279 L305 L306 N311 S312 L318	Y202-I309 HydrophobicContact CD1-CG2 4.08Å; Y202-I309 HydrophobicContact CD2-CG2 3.47Å; Y202-I309 VanDerWaalsContact CD2-CG2 3.47Å; Y202-I309 HydrophobicContact CE2-CG2 4Å; Y202-I309 HydrophobicContact CG-CG2 3.52Å; L237-I309 HydrophobicContact CD1-CD1 3.56Å; L237-I309 HydrophobicContact CD2-CD1 3.98Å; L237-I309 HydrophobicContact CG-CD1 4.43Å; F279-I309 HydrophobicContact CD1-CG1 3.93Å; F279-I309 HydrophobicContact CD2-CG1 4.34Å; F279-I309 HydrophobicContact CE1-CG1 4.19Å; F279-I309 HydrophobicContact CG-CG1 4.03Å; F279-I309 HydrophobicContact CZ-CG1 4.49Å; L305-I309 HydrophobicContact CD1-CD1 3.96Å; L305-I309 HydrophobicContact CD1-CG1 4.42Å; L305-I309 HydrophobicContact CG-CD1 3.8Å; L305-I309 WeakPolarHBondContact O-CD1 3.49Å; L305-I309 VanDerWaalsContact O-CG1 3.27Å; L305-I309 WeakPolarHBondContact O-CG1 3.28Å; L305-I309 PolarHBondContact O-N 2.79Å; L306-I309 PolarHBondContact O-N 3.24Å; I309-N311 PolarHBondContact O-N 3.34Å; I309-S312 VanDerWaalsContact O-CB 3.28Å; I309-S312 WeakPolarHBondContact O-CB 3.49Å; I309-S312 PolarHBondContact O-N 2.7Å; I309-S312 VanDerWaalsContact O-N 3.14Å; I309-S312 PolarHBondContact O-OG 2.95Å; I309-S312 VanDerWaalsContact O-OG 3.13Å; I309-L318 HydrophobicContact CG2-CD1 4.49Å
310	I	94.8	Very high	95.7	Very high	4 Å²	4	26.6 Å²	26.6	2%	0.021	14%	0.141	C	C	.	.	H	α-helix	trans	-68.6	-25.5	178.4	66.1	-179	0	0	0	112.4	Y128 K131 I133 L306 L307 S312 L318 L336 L340	Y128-I310 HydrophobicContact CD1-CB 4.39Å; Y128-I310 HydrophobicContact CD1-CD1 3.86Å; Y128-I310 HydrophobicContact CD1-CG1 4.12Å; Y128-I310 HydrophobicContact CE1-CD1 4.22Å; Y128-I310 HydrophobicContact CE1-CG1 4.25Å; K131-I310 PolarHBondContact NZ-O 2.79Å; I133-I310 HydrophobicContact CD1-CD1 3.95Å; I133-I310 HydrophobicContact CD1-CG2 4.09Å; I133-I310 HydrophobicContact CG1-CG2 4.16Å; L306-I310 PolarHBondContact O-N 2.88Å; L306-I310 VanDerWaalsContact O-N 3.08Å; L307-I310 HydrophobicContact CD2-CD1 4.33Å; L307-I310 WeakPolarHBondContact O-CG1 3.4Å; I310-S312 VanDerWaalsContact C-N 3.26Å; I310-S312 PolarHBondContact O-N 2.95Å; I310-L318 HydrophobicContact CG2-CB 4.19Å; I310-L318 HydrophobicContact CG2-CD2 3.65Å; I310-L336 HydrophobicContact CD1-CD2 4.21Å; I310-L340 HydrophobicContact CD1-CD1 3.97Å; I310-L340 HydrophobicContact CD1-CD2 4.09Å; I310-L340 HydrophobicContact CD1-CG 4.42Å
311	N	92.8	Very high	95.7	Very high	33 Å²	33	24.6 Å²	24.6	18%	0.176	13%	0.131	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.9	26.4	171.9	-72.7	-72.9	0	0	0	113.5	Y128 L307 H308 I309 A399	Y128-N311 PolarHBondContact OH-OD1 3.41Å; L307-N311 WeakPolarHBondContact O-CB 3.42Å; L307-N311 PolarHBondContact O-N 3.22Å; L307-N311 PolarHBondContact O-ND2 3.38Å; H308-N311 CarbonylContact O-C 3.54Å; H308-N311 PolarHBondContact O-N 2.94Å; I309-N311 PolarHBondContact O-N 3.34Å; N311-A399 WeakPolarHBondContact ND2-CB 3.25Å
312	S	90.4	Very high	95.6	Very high	22 Å²	22	24.5 Å²	24.5	15%	0.154	13%	0.13	C	C	.	.	S	Bend	trans	-66.4	158.2	163.1	64.7	0	0	0	0	111.9	K131 H308 I309 I310 D314	K131-S312 PolarHBondContact NZ-O 3.11Å; K131-S312 PolarHBondContact NZ-OG 3.04Å; H308-S312 PolarHBondContact O-N 2.98Å; I309-S312 VanDerWaalsContact O-CB 3.28Å; I309-S312 WeakPolarHBondContact O-CB 3.49Å; I309-S312 PolarHBondContact O-N 2.7Å; I309-S312 VanDerWaalsContact O-N 3.14Å; I309-S312 PolarHBondContact O-OG 2.95Å; I309-S312 VanDerWaalsContact O-OG 3.13Å; I310-S312 VanDerWaalsContact C-N 3.26Å; I310-S312 PolarHBondContact O-N 2.95Å; S312-D314 WeakPolarHBondContact CB-OD1 3.39Å; S312-D314 PolarHBondContact O-N 3.19Å; S312-D314 PolarHBondContact OG-O 2.87Å; S312-D314 PolarHBondContact OG-OD1 3.01Å
313	D	87.3	Confident	95.3	Very high	172 Å²	172	25.6 Å²	25.6	92%	0.92	14%	0.136	S	C	*	.	S	Bend	trans	-83.8	27.1	172.4	-47.8	-68.7	0	0	0	112.6
314	D	91.6	Very high	95	Very high	32 Å²	32	26.3 Å²	26.3	17%	0.171	14%	0.141	C	C	.	.	S	Bend	trans	-130.1	145.8	177.3	81	-43	0	0	0	113.1	K131 R201 Y202 S312 S316	K131-D314 WeakPolarHBondContact CE-O 3.31Å; K131-D314 PolarHBondContact NZ-O 2.69Å; R201-D314 IonicContact CZ-OD2 3.15Å; R201-D314 IonicContact NH1-OD2 2.69Å; R201-D314 PolarHBondContact NH1-OD2 3.11Å; Y202-D314 PolarHBondContact OH-OD1 2.94Å; Y202-D314 PolarHBondContact OH-OD2 3.17Å; Y202-D314 VanDerWaalsContact OH-OD2 3.1Å; S312-D314 WeakPolarHBondContact CB-OD1 3.39Å; S312-D314 PolarHBondContact O-N 3.19Å; S312-D314 PolarHBondContact OG-O 2.87Å; S312-D314 PolarHBondContact OG-OD1 3.01Å; D314-S316 VanDerWaalsContact CG-OG 3.32Å; D314-S316 PolarHBondContact O-N 3.07Å; D314-S316 VanDerWaalsContact OD2-CB 3.28Å; D314-S316 WeakPolarHBondContact OD2-CB 3.39Å; D314-S316 PolarHBondContact OD2-OG 3.06Å
315	D	91.6	Very high	94.9	Very high	141 Å²	141	24.4 Å²	24.4	75%	0.754	13%	0.133	S	C	*	.			trans	-72.6	30.4	-172.6	-50	-58.1	0	0	0	114.6
316	S	95.9	Very high	94.9	Very high	16 Å²	16	25.4 Å²	25.4	11%	0.112	14%	0.137	C	C	.	.			trans	-96	122.4	-166.1	-75.9	0	0	0	0	112.9	R201 Y202 D314	R201-S316 WeakPolarHBondContact CB-OG 3.33Å; R201-S316 WeakPolarHBondContact CD-OG 3.43Å; Y202-S316 VanDerWaalsContact CE2-CB 3.4Å; D314-S316 VanDerWaalsContact CG-OG 3.32Å; D314-S316 PolarHBondContact O-N 3.07Å; D314-S316 VanDerWaalsContact OD2-CB 3.28Å; D314-S316 WeakPolarHBondContact OD2-CB 3.39Å; D314-S316 PolarHBondContact OD2-OG 3.06Å
317	G	97.3	Very high	94.8	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.3	162.3	172.6	0	0	0	0	0	114.1	H132 S199 V200 R201 Y202	H132-G317 WeakPolarHBondContact O-CA 3.48Å; S199-G317 PolarHBondContact O-N 3.27Å; V200-G317 WeakPolarHBondContact CA-O 3.33Å; R201-G317 PolarHBondContact N-O 3.34Å; Y202-G317 PolarHBondContact N-O 2.94Å; Y202-G317 VanDerWaalsContact N-O 3.16Å
318	L	98.6	Very high	94.9	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.005	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	123.9	-176.5	167.6	65.8	0	0	0	110.2	H132 I133 C134 Y202 C204 L306 I309 I310 V320 L336	H132-L318 PolarHBondContact O-N 3.1Å; I133-L318 CarbonylContact C-O 3.48Å; I133-L318 WeakPolarHBondContact CA-O 3.41Å; I133-L318 HydrophobicContact CG2-CD2 4.42Å; C134-L318 PolarHBondContact N-O 3.25Å; Y202-L318 CarbonylContact O-C 3.38Å; Y202-L318 WeakPolarHBondContact O-CA 3.4Å; C204-L318 HydrophobicContact CB-CD1 4.06Å; L306-L318 HydrophobicContact CB-CD2 4.37Å; L306-L318 HydrophobicContact CD2-CD1 4.35Å; L306-L318 HydrophobicContact CD2-CD2 4.09Å; I309-L318 HydrophobicContact CG2-CD1 4.49Å; I310-L318 HydrophobicContact CG2-CB 4.19Å; I310-L318 HydrophobicContact CG2-CD2 3.65Å; L318-V320 HydrophobicContact CD2-CG2 4.2Å; L318-V320 HydrophobicContact CG-CG2 4.15Å; L318-L336 HydrophobicContact CD2-CD1 4.48Å
319	L	98.8	Very high	95.1	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	129.2	165.3	165.7	60.6	0	0	0	110.1	V122 C134 L195 V200 Y202 I203 C204 H321	V122-L319 HydrophobicContact CG1-CD1 4.36Å; V122-L319 HydrophobicContact CG2-CD2 4.15Å; C134-L319 HydrophobicContact CB-CB 4.48Å; C134-L319 HydrophobicContact CB-CD1 4.41Å; C134-L319 CarbonylContact O-C 3.31Å; C134-L319 WeakPolarHBondContact O-CA 3.45Å; L195-L319 HydrophobicContact CD2-CB 4.49Å; L195-L319 HydrophobicContact CD2-CD2 3.97Å; V200-L319 HydrophobicContact CG1-CB 3.85Å; Y202-L319 PolarHBondContact O-N 3.38Å; I203-L319 HydrophobicContact CG1-CB 4.45Å; I203-L319 HydrophobicContact CG1-CD2 4.46Å; I203-L319 HydrophobicContact CG2-CD2 4.16Å; I203-L319 HydrophobicContact CG2-CG 4.48Å; C204-L319 WeakPolarHBondContact CB-O 3.39Å; C204-L319 PolarHBondContact N-O 3.49Å; L319-H321 HydrophobicContact CD1-CB 4.37Å
320	V	98.8	Very high	95.3	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	125.9	166.4	-177.6	0	0	0	0	110	C134 R135 S136 C204 L206 L306 L318 F332	C134-V320 PolarHBondContact O-N 3.33Å; R135-V320 WeakPolarHBondContact CA-O 3.2Å; S136-V320 PolarHBondContact N-O 3.39Å; C204-V320 HydrophobicContact CB-CG2 4.23Å; L206-V320 HydrophobicContact CD1-CG1 3.7Å; L306-V320 HydrophobicContact CD1-CG2 4.34Å; L318-V320 HydrophobicContact CD2-CG2 4.2Å; L318-V320 HydrophobicContact CG-CG2 4.15Å; V320-F332 HydrophobicContact CG1-CB 4.16Å
321	H	98.3	Very high	95.5	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144	169.1	177.9	73.3	96.1	0	0	0	114.2	S136 I203 C204 D205 L206 E223 L319	S136-H321 VanDerWaalsContact O-CB 3.31Å; S136-H321 WeakPolarHBondContact O-CB 3.39Å; I203-H321 WeakPolarHBondContact CG2-NE2 3.22Å; C204-H321 PolarHBondContact O-CD2 3.2Å; C204-H321 VanDerWaalsContact O-CD2 3.25Å; C204-H321 PolarHBondContact O-N 3.4Å; D205-H321 WeakPolarHBondContact CB-NE2 3.36Å; D205-H321 VanDerWaalsContact CG-CE1 3.45Å; D205-H321 IonicContact OD1-CE1 2.79Å; D205-H321 PolarHBondContact OD1-CE1 2.97Å; D205-H321 VanDerWaalsContact OD1-CE1 3.31Å; D205-H321 IonicContact OD1-ND1 3.81Å; L206-H321 WeakPolarHBondContact CB-O 3.38Å; L206-H321 WeakPolarHBondContact CG-O 3.26Å; L206-H321 PolarHBondContact N-O 3.4Å; E223-H321 IonicContact OE1-CE1 3.88Å; E223-H321 IonicContact OE1-NE2 3.76Å; E223-H321 IonicContact OE2-CE1 2.83Å; E223-H321 PolarHBondContact OE2-CE1 3.2Å; E223-H321 VanDerWaalsContact OE2-CE1 3.25Å; E223-H321 IonicContact OE2-NE2 2.69Å; L319-H321 HydrophobicContact CD1-CB 4.37Å
322	C	96.4	Very high	95.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	-171.3	169.9	80.3	0	0	0	0	108.2	A137 T138 L206 S324 G325 W326 R328 T329	A137-C322 CarbonylContact C-O 3.49Å; A137-C322 WeakPolarHBondContact CA-O 3.37Å; T138-C322 PolarHBondContact N-O 2.7Å; L206-C322 HydrophobicContact CB-CB 4.26Å; C322-S324 VanDerWaalsContact C-N 3.31Å; C322-S324 PolarHBondContact O-N 3.41Å; C322-S324 PolarHBondContact SG-N 3.14Å; C322-G325 PolarHBondContact SG-N 3.13Å; C322-G325 VanDerWaalsContact SG-N 3.35Å; C322-W326 PolarHBondContact SG-O 2.56Å; C322-R328 HydrophobicContact CB-CB 4.08Å; C322-T329 PolarHBondContact N-OG1 2.99Å; C322-T329 PolarHBondContact SG-OG1 3.23Å; C322-T329 VanDerWaalsContact SG-OG1 3.42Å
323	I	93	Very high	96.2	Very high	26 Å²	26	21.3 Å²	21.3	13%	0.133	11%	0.113	C	C	.	.	S	Bend	trans	-50.1	-48	177.7	-43.5	172	0	0	0	112.8	M207 E209 K212 T220	M207-I323 HydrophobicContact CE-CG1 4.28Å; M207-I323 HydrophobicContact CG-CG1 3.74Å; M207-I323 HydrophobicContact SD-CB 4.48Å; M207-I323 HydrophobicContact SD-CG1 4.04Å; E209-I323 HydrophobicContact CG-CD1 4.42Å; E209-I323 WeakPolarHBondContact OE2-CD1 3.27Å; K212-I323 HydrophobicContact CB-CD1 4.41Å; K212-I323 HydrophobicContact CB-CG2 4.07Å; K212-I323 HydrophobicContact CD-CD1 4.13Å; K212-I323 HydrophobicContact CG-CD1 4.14Å; K212-I323 HydrophobicContact CG-CG2 4.39Å; T220-I323 HydrophobicContact CG2-CG2 3.66Å
324	S	92	Very high	96.8	Very high	15 Å²	15	13.1 Å²	13.1	11%	0.105	7%	0.07	C	C	.	.	S	Bend	trans	-107.8	-15.1	-167.3	53.5	0	0	0	0	114.6	R120 C322 W326	R120-S324 WeakPolarHBondContact CD-O 3.49Å; R120-S324 PolarHBondContact NE-O 3.3Å; C322-S324 VanDerWaalsContact C-N 3.31Å; C322-S324 PolarHBondContact O-N 3.41Å; C322-S324 PolarHBondContact SG-N 3.14Å; S324-W326 PolarHBondContact O-N 2.83Å; S324-W326 WeakPolarHBondContact OG-CB 3.2Å; S324-W326 PolarHBondContact OG-N 2.79Å
325	G	95.1	Very high	97.1	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.01	6%	0.061	C	C	.	.	S	Bend	trans	67.7	13	-165.1	0	0	0	0	0	114.1	R120 S136 C322	R120-G325 PolarHBondContact NH1-O 3.06Å; S136-G325 VanDerWaalsContact O-CA 3.23Å; S136-G325 WeakPolarHBondContact O-CA 3.27Å; C322-G325 PolarHBondContact SG-N 3.13Å; C322-G325 VanDerWaalsContact SG-N 3.35Å
326	W	95.8	Very high	97.5	Very high	22 Å²	22	4.9 Å²	4.9	8%	0.083	3%	0.026	C	C	.	.	S	Bend	trans	-106.7	176	171.9	-62.4	-30.3	0	0	0	110.2	R118 C322 S324 R328 T329 G368 M370	R118-W326 VanDerWaalsContact NE-CZ3 3.31Å; C322-W326 PolarHBondContact SG-O 2.56Å; S324-W326 PolarHBondContact O-N 2.83Å; S324-W326 WeakPolarHBondContact OG-CB 3.2Å; S324-W326 PolarHBondContact OG-N 2.79Å; W326-R328 PolarHBondContact O-N 3.02Å; W326-T329 PolarHBondContact O-N 3.09Å; W326-G368 VanDerWaalsContact CE2-O 3.3Å; W326-G368 PolarHBondContact NE1-O 3.24Å; W326-M370 HydrophobicContact CE3-CB 4.47Å; W326-M370 HydrophobicContact CE3-CG 4.08Å; W326-M370 HydrophobicContact CH2-CG 3.83Å; W326-M370 HydrophobicContact CZ2-CG 4.35Å; W326-M370 HydrophobicContact CZ3-CB 4.49Å; W326-M370 HydrophobicContact CZ3-CG 3.66Å
327	D	97.6	Very high	97.6	Very high	5 Å²	5	4.1 Å²	4.1	3%	0.027	2%	0.02	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	-94.5	167.9	-47.7	-61	0	0	0	113.7	C244 T329 P330 L331 H369 R374 I381	C244-D327 HydrophobicContact CB-CB 4.02Å; D327-T329 VanDerWaalsContact C-N 3.31Å; D327-T329 PolarHBondContact O-N 3.47Å; D327-P330 VanDerWaalsContact O-CD 3.24Å; D327-P330 WeakPolarHBondContact O-CD 3.28Å; D327-P330 VanDerWaalsContact O-CG 3.31Å; D327-P330 WeakPolarHBondContact O-CG 3.21Å; D327-L331 WeakPolarHBondContact O-CB 3.31Å; D327-L331 PolarHBondContact O-N 3.12Å; D327-L331 VanDerWaalsContact O-N 3.16Å; D327-H369 WeakPolarHBondContact CA-NE2 3.3Å; D327-H369 PolarHBondContact N-NE2 3.36Å; D327-H369 IonicContact OD1-CD2 3.25Å; D327-H369 IonicContact OD1-CE1 3.71Å; D327-H369 CovalentContact OD1-NE2 1.79Å; D327-H369 IonicContact OD1-NE2 3.31Å; D327-H369 PolarHBondContact OD1-NE2 2.94Å; D327-H369 IonicContact OD2-NE2 3.39Å; D327-R374 IonicContact OD1-CZ 3.61Å; D327-R374 IonicContact OD1-NE 3.68Å; D327-R374 PolarHBondContact OD1-NE 3.32Å; D327-R374 IonicContact OD1-NH2 2.72Å; D327-R374 IonicContact OD2-CZ 3.22Å; D327-R374 IonicContact OD2-NE 2.77Å; D327-R374 IonicContact OD2-NH2 3.72Å; D327-R374 PolarHBondContact OD2-NH2 2.87Å; D327-I381 HydrophobicContact CB-CD1 3.97Å; D327-I381 HydrophobicContact CB-CG2 4.33Å
328	R	98.4	Very high	97.7	Very high	16 Å²	16	4.1 Å²	4.1	6%	0.06	2%	0.02	C	C	.	.	H	α-helix	trans	-58.3	-38.3	178.6	-59.2	-179	-93.5	-166.9	-5.8	113.2	L206 E209 Y241 P242 C322 W326 F332	L206-R328 HydrophobicContact CB-CB 4.28Å; L206-R328 HydrophobicContact CD1-CB 4.02Å; L206-R328 PolarHBondContact O-NH1 3.16Å; E209-R328 IonicContact OE1-NH1 3.57Å; E209-R328 IonicContact OE1-NH2 2.76Å; Y241-R328 HydrophobicContact CD1-CB 4.42Å; Y241-R328 HydrophobicContact CD1-CG 3.9Å; Y241-R328 WeakPolarHBondContact O-CD 3.46Å; Y241-R328 PolarHBondContact O-NH1 3.46Å; P242-R328 VanDerWaalsContact O-CD 3.25Å; P242-R328 WeakPolarHBondContact O-CD 3.05Å; P242-R328 WeakPolarHBondContact O-CG 3.5Å; C322-R328 HydrophobicContact CB-CB 4.08Å; W326-R328 PolarHBondContact O-N 3.02Å; R328-F332 WeakPolarHBondContact O-CD2 3.36Å; R328-F332 PolarHBondContact O-N 2.99Å
329	T	98.7	Very high	97.7	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-66.4	-57.1	-179.6	-60.4	0	0	0	0	112.6	R135 C322 W326 D327 L331 F332 V333	R135-T329 HydrophobicContact CB-CG2 3.86Å; C322-T329 PolarHBondContact N-OG1 2.99Å; C322-T329 PolarHBondContact SG-OG1 3.23Å; C322-T329 VanDerWaalsContact SG-OG1 3.42Å; W326-T329 PolarHBondContact O-N 3.09Å; D327-T329 VanDerWaalsContact C-N 3.31Å; D327-T329 PolarHBondContact O-N 3.47Å; T329-L331 VanDerWaalsContact C-N 3.26Å; T329-L331 PolarHBondContact O-N 2.98Å; T329-F332 PolarHBondContact O-N 3.25Å; T329-V333 HydrophobicContact CG2-CG2 4.42Å; T329-V333 VanDerWaalsContact O-CG2 3.31Å; T329-V333 WeakPolarHBondContact O-CG2 3.23Å; T329-V333 PolarHBondContact O-N 2.95Å
330	P	98.7	Very high	97.6	Very high	0 Å²	0	4 Å²	4	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-63.9	-28.3	177.3	26	-34.7	0	0	0	113.3	D327 S334 D363 W364	D327-P330 VanDerWaalsContact O-CD 3.24Å; D327-P330 WeakPolarHBondContact O-CD 3.28Å; D327-P330 VanDerWaalsContact O-CG 3.31Å; D327-P330 WeakPolarHBondContact O-CG 3.21Å; P330-S334 WeakPolarHBondContact O-CB 3.17Å; P330-S334 PolarHBondContact O-N 2.74Å; P330-S334 PolarHBondContact O-OG 2.95Å; P330-D363 WeakPolarHBondContact CB-O 3.46Å; P330-W364 HydrophobicContact CB-CD2 3.74Å; P330-W364 HydrophobicContact CB-CE3 4.04Å; P330-W364 HydrophobicContact CB-CG 4.2Å; P330-W364 HydrophobicContact CB-CH2 4.28Å; P330-W364 HydrophobicContact CB-CZ2 3.99Å; P330-W364 HydrophobicContact CB-CZ3 4.3Å; P330-W364 HydrophobicContact CG-CD2 4.04Å; P330-W364 HydrophobicContact CG-CE3 3.79Å; P330-W364 HydrophobicContact CG-CH2 3.97Å; P330-W364 HydrophobicContact CG-CZ2 4.2Å; P330-W364 HydrophobicContact CG-CZ3 3.76Å
331	L	98.9	Very high	97.6	Very high	0 Å²	0	4.1 Å²	4.1	0%	0	2%	0.02	C	C	.	.	H	α-helix	trans	-54.4	-60.9	170.4	172.8	63.1	0	0	0	111.5	Y241 D327 T329 V333 S334 L335 W364 I381 F384 C385	Y241-L331 HydrophobicContact CE1-CD2 3.72Å; Y241-L331 WeakPolarHBondContact OH-CD2 3.39Å; D327-L331 WeakPolarHBondContact O-CB 3.31Å; D327-L331 PolarHBondContact O-N 3.12Å; D327-L331 VanDerWaalsContact O-N 3.16Å; T329-L331 VanDerWaalsContact C-N 3.26Å; T329-L331 PolarHBondContact O-N 2.98Å; L331-V333 PolarHBondContact O-N 2.89Å; L331-S334 PolarHBondContact O-N 2.93Å; L331-L335 HydrophobicContact CD1-CD1 3.82Å; L331-L335 HydrophobicContact CD1-CG 4.2Å; L331-L335 HydrophobicContact CG-CD1 4.25Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 2.89Å; L331-W364 HydrophobicContact CB-CH2 4.31Å; L331-W364 HydrophobicContact CB-CZ2 4.34Å; L331-I381 HydrophobicContact CD2-CD1 4.28Å; L331-I381 HydrophobicContact CD2-CG1 4.32Å; L331-F384 HydrophobicContact CD1-CD1 3.93Å; L331-F384 HydrophobicContact CD1-CE1 4.19Å; L331-F384 HydrophobicContact CD2-CD1 4.27Å; L331-F384 HydrophobicContact CD2-CE1 4.23Å; L331-C385 HydrophobicContact CD1-CB 3.63Å
332	F	98.9	Very high	97.6	Very high	0 Å²	0	4.2 Å²	4.2	0%	0	2%	0.021	C	C	.	.	H	α-helix	trans	-69.8	-31.1	-177.5	-78.6	-76	0	0	0	113.6	L206 Y241 T299 Y302 L306 V320 R328 T329 L336	L206-F332 HydrophobicContact CD1-CD2 3.72Å; L206-F332 HydrophobicContact CD1-CE2 4.43Å; L206-F332 HydrophobicContact CD1-CG 4.47Å; L206-F332 HydrophobicContact CD2-CD2 3.72Å; L206-F332 HydrophobicContact CD2-CE2 3.74Å; L206-F332 HydrophobicContact CG-CD2 4.41Å; Y241-F332 HydrophobicContact CD1-CE2 4.02Å; Y241-F332 AromaticContact CD2-CE2 3.75Å; Y241-F332 HydrophobicContact CD2-CE2 3.75Å; Y241-F332 AromaticContact CD2-CZ 3.79Å; Y241-F332 HydrophobicContact CD2-CZ 3.79Å; Y241-F332 HydrophobicContact CE1-CE2 4.1Å; Y241-F332 AromaticContact CE2-CE2 3.84Å; Y241-F332 HydrophobicContact CE2-CE2 3.84Å; Y241-F332 AromaticContact CE2-CZ 3.68Å; Y241-F332 HydrophobicContact CE2-CZ 3.68Å; Y241-F332 AromaticContact CG-CE2 3.83Å; Y241-F332 HydrophobicContact CG-CE2 3.83Å; Y241-F332 HydrophobicContact CG-CZ 4.34Å; T299-F332 HydrophobicContact CG2-CE1 4.26Å; T299-F332 HydrophobicContact CG2-CZ 4.27Å; Y302-F332 HydrophobicContact CD2-CZ 4.1Å; Y302-F332 HydrophobicContact CG-CZ 4.49Å; L306-F332 HydrophobicContact CD1-CB 4.09Å; L306-F332 HydrophobicContact CD1-CD1 3.91Å; L306-F332 HydrophobicContact CD1-CG 4.21Å; V320-F332 HydrophobicContact CG1-CB 4.16Å; R328-F332 WeakPolarHBondContact O-CD2 3.36Å; R328-F332 PolarHBondContact O-N 2.99Å; T329-F332 PolarHBondContact O-N 3.25Å; F332-L336 WeakPolarHBondContact O-CB 3.34Å; F332-L336 VanDerWaalsContact O-CG 3.3Å; F332-L336 WeakPolarHBondContact O-CG 3.22Å; F332-L336 PolarHBondContact O-N 2.95Å
333	V	98.9	Very high	97.6	Very high	0 Å²	0	5.7 Å²	5.7	0%	0	3%	0.029	C	C	.	.	H	α-helix	trans	-64.4	-44.9	172.1	172.5	0	0	0	0	111.3	V125 I126 R135 T329 L331 L336 R337 D363	V125-V333 HydrophobicContact CG2-CG1 3.81Å; I126-V333 HydrophobicContact CD1-CG1 4.34Å; R135-V333 HydrophobicContact CB-CG2 4.03Å; T329-V333 HydrophobicContact CG2-CG2 4.42Å; T329-V333 VanDerWaalsContact O-CG2 3.31Å; T329-V333 WeakPolarHBondContact O-CG2 3.23Å; T329-V333 PolarHBondContact O-N 2.95Å; L331-V333 PolarHBondContact O-N 2.89Å; V333-L336 PolarHBondContact O-N 3.35Å; V333-R337 PolarHBondContact O-N 2.79Å; V333-D363 HydrophobicContact CG1-CB 4.46Å; V333-D363 WeakPolarHBondContact CG1-OD1 3.16Å
334	S	98.9	Very high	97.7	Very high	0 Å²	0	5.9 Å²	5.9	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-65	-44.7	178.5	-58.7	0	0	0	0	111.4	P330 L331 L336 R337 L338 T359 W364 C385	P330-S334 WeakPolarHBondContact O-CB 3.17Å; P330-S334 PolarHBondContact O-N 2.74Å; P330-S334 PolarHBondContact O-OG 2.95Å; L331-S334 PolarHBondContact O-N 2.93Å; S334-L336 VanDerWaalsContact C-N 3.32Å; S334-L336 PolarHBondContact O-N 3.32Å; S334-R337 PolarHBondContact O-N 3.43Å; S334-L338 WeakPolarHBondContact O-CB 3.23Å; S334-L338 WeakPolarHBondContact O-CG 3.35Å; S334-L338 PolarHBondContact O-N 3.33Å; S334-T359 VanDerWaalsContact CB-CG2 3.49Å; S334-T359 WeakPolarHBondContact OG-CG2 3.2Å; S334-W364 PolarHBondContact OG-NE1 3.31Å; S334-C385 VanDerWaalsContact CB-SG 3.52Å
335	L	98.9	Very high	97.8	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-63.6	-37.2	177.1	-68.3	178.6	0	0	0	111.8	T299 L303 L331 S339 F388 L389 I392	T299-L335 HydrophobicContact CG2-CD1 3.67Å; L303-L335 HydrophobicContact CD1-CB 3.96Å; L303-L335 HydrophobicContact CD2-CB 4.3Å; L331-L335 HydrophobicContact CD1-CD1 3.82Å; L331-L335 HydrophobicContact CD1-CG 4.2Å; L331-L335 HydrophobicContact CG-CD1 4.25Å; L331-L335 WeakPolarHBondContact O-CG 3.34Å; L331-L335 PolarHBondContact O-N 2.89Å; L335-S339 WeakPolarHBondContact O-CB 3.28Å; L335-S339 PolarHBondContact O-N 3.22Å; L335-F388 HydrophobicContact CD1-CD1 3.83Å; L335-F388 HydrophobicContact CD1-CE1 3.97Å; L335-F388 HydrophobicContact CD2-CD1 3.75Å; L335-F388 HydrophobicContact CD2-CE1 4.4Å; L335-F388 HydrophobicContact CG-CD1 4.48Å; L335-L389 HydrophobicContact CD2-CD2 3.9Å; L335-I392 HydrophobicContact CD2-CD1 4.23Å
336	L	98.8	Very high	97.9	Very high	0 Å²	0	6 Å²	6	0%	0	4%	0.039	C	C	.	.	H	α-helix	trans	-64.5	-49.6	171.3	-76.7	168.6	0	0	0	111.9	I126 I133 L303 L306 L307 I310 L318 F332 V333 S334 L338 S339 L340	I126-L336 HydrophobicContact CD1-CB 4.21Å; I133-L336 HydrophobicContact CD1-CD1 4.42Å; I133-L336 HydrophobicContact CG2-CD1 4.25Å; L303-L336 HydrophobicContact CD1-CD2 3.92Å; L303-L336 HydrophobicContact CD1-CG 4.1Å; L306-L336 HydrophobicContact CB-CD1 4.11Å; L306-L336 HydrophobicContact CB-CD2 3.95Å; L306-L336 HydrophobicContact CB-CG 4.44Å; L306-L336 HydrophobicContact CD1-CD1 4.09Å; L307-L336 HydrophobicContact CD2-CD2 3.84Å; L307-L336 HydrophobicContact CG-CD2 4.08Å; I310-L336 HydrophobicContact CD1-CD2 4.21Å; L318-L336 HydrophobicContact CD2-CD1 4.48Å; F332-L336 WeakPolarHBondContact O-CB 3.34Å; F332-L336 VanDerWaalsContact O-CG 3.3Å; F332-L336 WeakPolarHBondContact O-CG 3.22Å; F332-L336 PolarHBondContact O-N 2.95Å; V333-L336 PolarHBondContact O-N 3.35Å; S334-L336 VanDerWaalsContact C-N 3.32Å; S334-L336 PolarHBondContact O-N 3.32Å; L336-L338 PolarHBondContact O-N 3.47Å; L336-S339 PolarHBondContact O-N 2.96Å; L336-L340 WeakPolarHBondContact O-CB 3.4Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.49Å; L336-L340 PolarHBondContact O-N 3.26Å
337	R	98.6	Very high	98	Very high	0 Å²	0	4.9 Å²	4.9	0%	0	4%	0.035	C	C	.	.	H	α-helix	trans	-57.8	-50.2	179.2	-169.8	-171	-57.4	-75.1	-5.3	111.5	V125 I126 V333 S334 L340 W341 H347 I355 D363	V125-R337 PolarHBondContact O-NH1 2.88Å; V125-R337 PolarHBondContact O-NH2 3.25Å; I126-R337 HydrophobicContact CD1-CB 3.86Å; I126-R337 HydrophobicContact CG1-CB 4.39Å; V333-R337 PolarHBondContact O-N 2.79Å; S334-R337 PolarHBondContact O-N 3.43Å; R337-L340 PolarHBondContact O-N 3.18Å; R337-W341 VanDerWaalsContact O-CB 3.25Å; R337-W341 WeakPolarHBondContact O-CB 3.42Å; R337-W341 PolarHBondContact O-N 2.87Å; R337-H347 PolarHBondContact NH1-NE2 3.28Å; R337-I355 HydrophobicContact CG-CD1 4.14Å; R337-D363 IonicContact CZ-OD1 3.57Å; R337-D363 IonicContact CZ-OD2 3.58Å; R337-D363 VanDerWaalsContact CZ-OD2 3.29Å; R337-D363 IonicContact NE-OD1 3.75Å; R337-D363 IonicContact NE-OD2 3.61Å; R337-D363 PolarHBondContact NE-OD2 2.9Å; R337-D363 VanDerWaalsContact NH2-CG 3.31Å; R337-D363 IonicContact NH2-OD1 2.7Å; R337-D363 PolarHBondContact NH2-OD1 3.23Å; R337-D363 IonicContact NH2-OD2 3.6Å; R337-D363 PolarHBondContact NH2-OD2 3.02Å
338	L	98.8	Very high	97.8	Very high	0 Å²	0	6.7 Å²	6.7	0%	0	5%	0.05	C	C	.	.	H	α-helix	trans	-69.6	-36.2	-178.2	-67.7	172.4	0	0	0	112.2	S334 L336 A342 I355 T359 F386 L389 L607 V610	S334-L338 WeakPolarHBondContact O-CB 3.23Å; S334-L338 WeakPolarHBondContact O-CG 3.35Å; S334-L338 PolarHBondContact O-N 3.33Å; L336-L338 PolarHBondContact O-N 3.47Å; L338-A342 VanDerWaalsContact O-CB 3.27Å; L338-A342 WeakPolarHBondContact O-CB 3.41Å; L338-A342 PolarHBondContact O-N 3.43Å; L338-I355 HydrophobicContact CD2-CG1 3.76Å; L338-I355 HydrophobicContact CD2-CG2 4.11Å; L338-T359 HydrophobicContact CD1-CG2 4.26Å; L338-T359 HydrophobicContact CG-CG2 4.45Å; L338-F386 HydrophobicContact CD1-CD1 4.18Å; L338-F386 HydrophobicContact CD1-CE1 4.01Å; L338-L389 HydrophobicContact CB-CD2 4.29Å; L338-L389 HydrophobicContact CD1-CD1 4.08Å; L338-L389 HydrophobicContact CD1-CD2 3.86Å; L338-L607 HydrophobicContact CB-CD2 4.38Å; L338-V610 HydrophobicContact CD1-CG1 4.38Å; L338-V610 HydrophobicContact CD2-CG1 4.08Å
339	S	98.5	Very high	97.7	Very high	0 Å²	0	11.1 Å²	11.1	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-66.7	-43.2	175.8	-165.7	0	0	0	0	111.9	L335 L336 F397 R603	L335-S339 WeakPolarHBondContact O-CB 3.28Å; L335-S339 PolarHBondContact O-N 3.22Å; L336-S339 PolarHBondContact O-N 2.96Å; S339-F397 PolarHBondContact OG-O 3.12Å; S339-R603 PolarHBondContact O-NH1 3.46Å; S339-R603 PolarHBondContact OG-NH1 2.81Å; S339-R603 PolarHBondContact OG-NH2 2.61Å
340	L	98.1	Very high	97.6	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	8%	0.076	C	C	.	.	H	α-helix	trans	-68.4	-42.5	176.1	-70.3	165.4	0	0	0	111.6	I126 Y128 I133 I310 L336 R337 A342 D343 G344 A345 V346 A399	I126-L340 HydrophobicContact CG2-CD1 4.4Å; Y128-L340 HydrophobicContact CD1-CD1 4.45Å; Y128-L340 HydrophobicContact CD1-CD2 3.92Å; Y128-L340 HydrophobicContact CD2-CD2 4.03Å; Y128-L340 HydrophobicContact CE1-CD2 3.83Å; Y128-L340 HydrophobicContact CE2-CD2 4Å; Y128-L340 HydrophobicContact CG-CD1 4.21Å; Y128-L340 HydrophobicContact CG-CD2 4.01Å; I133-L340 HydrophobicContact CD1-CD1 4.1Å; I310-L340 HydrophobicContact CD1-CD1 3.97Å; I310-L340 HydrophobicContact CD1-CD2 4.09Å; I310-L340 HydrophobicContact CD1-CG 4.42Å; L336-L340 WeakPolarHBondContact O-CB 3.4Å; L336-L340 VanDerWaalsContact O-CG 3.29Å; L336-L340 WeakPolarHBondContact O-CG 3.49Å; L336-L340 PolarHBondContact O-N 3.26Å; R337-L340 PolarHBondContact O-N 3.18Å; L340-A342 VanDerWaalsContact C-N 3.31Å; L340-A342 PolarHBondContact O-N 2.85Å; L340-D343 PolarHBondContact O-N 2.55Å; L340-D343 VanDerWaalsContact O-N 3.11Å; L340-G344 PolarHBondContact O-N 2.7Å; L340-A345 HydrophobicContact CD2-CB 4.48Å; L340-A345 WeakPolarHBondContact O-CB 3.17Å; L340-A345 PolarHBondContact O-N 2.71Å; L340-V346 HydrophobicContact CB-CB 4.39Å; L340-V346 HydrophobicContact CB-CG1 4.1Å; L340-V346 HydrophobicContact CB-CG2 3.47Å; L340-V346 VanDerWaalsContact CB-CG2 3.47Å; L340-V346 HydrophobicContact CD1-CG1 4.22Å; L340-A399 HydrophobicContact CD2-CB 3.47Å; L340-A399 VanDerWaalsContact CD2-CB 3.47Å
341	W	98.4	Very high	97.6	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.008	10%	0.101	C	C	.	.	H	α-helix	trans	-62.8	-37.7	177.2	166.6	82.8	0	0	0	112.1	R337 D343 G344 V346 L350 P352 I355 R606 V610	R337-W341 VanDerWaalsContact O-CB 3.25Å; R337-W341 WeakPolarHBondContact O-CB 3.42Å; R337-W341 PolarHBondContact O-N 2.87Å; W341-D343 PolarHBondContact O-N 2.57Å; W341-G344 WeakPolarHBondContact O-CA 3.37Å; W341-G344 PolarHBondContact O-N 3.42Å; W341-V346 WeakPolarHBondContact CA-O 3.03Å; W341-V346 HydrophobicContact CB-CG2 4.12Å; W341-L350 PolarHBondContact NE1-O 2.83Å; W341-P352 HydrophobicContact CH2-CB 4.11Å; W341-P352 HydrophobicContact CH2-CG 4Å; W341-P352 HydrophobicContact CZ2-CG 4.25Å; W341-I355 HydrophobicContact CB-CD1 4.27Å; W341-I355 HydrophobicContact CB-CG1 4.15Å; W341-I355 HydrophobicContact CD2-CB 4.09Å; W341-I355 HydrophobicContact CD2-CG1 3.95Å; W341-I355 HydrophobicContact CD2-CG2 3.73Å; W341-I355 HydrophobicContact CE3-CG1 4.49Å; W341-I355 HydrophobicContact CE3-CG2 3.92Å; W341-I355 HydrophobicContact CG-CB 4.25Å; W341-I355 HydrophobicContact CG-CD1 4.11Å; W341-I355 HydrophobicContact CG-CG1 3.74Å; W341-I355 HydrophobicContact CG-CG2 4.39Å; W341-I355 HydrophobicContact CH2-CG2 3.87Å; W341-I355 HydrophobicContact CZ2-CB 4.49Å; W341-I355 HydrophobicContact CZ2-CG2 3.69Å; W341-I355 HydrophobicContact CZ3-CG2 3.98Å; W341-R606 HydrophobicContact CH2-CB 3.68Å; W341-R606 HydrophobicContact CH2-CG 4.09Å; W341-R606 HydrophobicContact CZ3-CB 3.66Å; W341-R606 HydrophobicContact CZ3-CG 4.47Å; W341-R606 WeakPolarHBondContact CZ3-O 3.39Å; W341-R606 PolarHBondContact O-NE 3.02Å; W341-R606 PolarHBondContact O-NH2 2.7Å; W341-V610 HydrophobicContact CE3-CG2 4.35Å; W341-V610 HydrophobicContact CH2-CG2 3.64Å; W341-V610 HydrophobicContact CZ3-CG2 3.44Å; W341-V610 VanDerWaalsContact CZ3-CG2 3.44Å
342	A	98	Very high	97.6	Very high	2 Å²	2	18 Å²	18	2%	0.017	11%	0.109	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	-15.2	176.7	0	0	0	0	0	113.8	L338 L340 R603 R606 L607	L338-A342 VanDerWaalsContact O-CB 3.27Å; L338-A342 WeakPolarHBondContact O-CB 3.41Å; L338-A342 PolarHBondContact O-N 3.43Å; L340-A342 VanDerWaalsContact C-N 3.31Å; L340-A342 PolarHBondContact O-N 2.85Å; A342-R603 HydrophobicContact CB-CG 3.96Å; A342-R603 WeakPolarHBondContact O-CA 3.24Å; A342-R606 HydrophobicContact CB-CB 4.35Å; A342-L607 HydrophobicContact CB-CD1 3.89Å; A342-L607 HydrophobicContact CB-CD2 3.77Å; A342-L607 HydrophobicContact CB-CG 3.53Å
343	D	96.3	Very high	97.5	Very high	30 Å²	30	18.6 Å²	18.6	16%	0.16	12%	0.115	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92	0.7	168.8	-58.2	-42.3	0	0	0	112.9	L340 W341 A345 S398 A399 V400 R603	L340-D343 PolarHBondContact O-N 2.55Å; L340-D343 VanDerWaalsContact O-N 3.11Å; W341-D343 PolarHBondContact O-N 2.57Å; D343-A345 HydrophobicContact CB-CB 4.18Å; D343-A345 PolarHBondContact O-N 2.85Å; D343-S398 WeakPolarHBondContact OD1-CA 3.35Å; D343-S398 VanDerWaalsContact OD1-CB 3.27Å; D343-S398 WeakPolarHBondContact OD1-CB 3.47Å; D343-S398 PolarHBondContact OD1-OG 2.94Å; D343-S398 VanDerWaalsContact OD2-CA 3.27Å; D343-S398 WeakPolarHBondContact OD2-CA 3.38Å; D343-S398 PolarHBondContact OD2-OG 2.85Å; D343-A399 PolarHBondContact OD2-N 3.15Å; D343-V400 HydrophobicContact CB-CB 4.36Å; D343-V400 HydrophobicContact CB-CG2 3.79Å; D343-R603 IonicContact OD1-CZ 2.76Å; D343-R603 IonicContact OD1-NH1 3.79Å; D343-R603 PolarHBondContact OD1-NH1 2.79Å; D343-R603 IonicContact OD2-NH1 3.76Å; D343-R603 PolarHBondContact OD2-NH1 3.07Å
344	G	95.3	Very high	97.5	Very high	31 Å²	31	19 Å²	19	32%	0.32	12%	0.117	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.4	12.6	-171.1	0	0	0	0	0	114.4	L340 W341	L340-G344 PolarHBondContact O-N 2.7Å; W341-G344 WeakPolarHBondContact O-CA 3.37Å; W341-G344 PolarHBondContact O-N 3.42Å
345	A	95.1	Very high	97.5	Very high	17 Å²	17	19 Å²	19	14%	0.14	12%	0.117	C	C	.	.	S	Bend	trans	-94.2	-5.3	-166.1	0	0	0	0	0	115	Y128 L340 D343 V400	Y128-A345 HydrophobicContact CD2-CB 4.41Å; Y128-A345 WeakPolarHBondContact CD2-O 3.29Å; Y128-A345 HydrophobicContact CE2-CB 3.8Å; L340-A345 HydrophobicContact CD2-CB 4.48Å; L340-A345 WeakPolarHBondContact O-CB 3.17Å; L340-A345 PolarHBondContact O-N 2.71Å; D343-A345 HydrophobicContact CB-CB 4.18Å; D343-A345 PolarHBondContact O-N 2.85Å; A345-V400 HydrophobicContact CB-CG2 3.91Å
346	V	96.6	Very high	97.5	Very high	0 Å²	0	19 Å²	19	0%	0	12%	0.117	C	C	.	.	S	Bend	trans	-152	154.8	168	-64.4	0	0	0	0	108.3	Y61 I126 L127 Y128 L340 W341 A348	Y61-V346 VanDerWaalsContact OH-CA 3.31Å; Y61-V346 WeakPolarHBondContact OH-CA 3.5Å; Y61-V346 VanDerWaalsContact OH-CB 3.28Å; Y61-V346 WeakPolarHBondContact OH-CB 3.27Å; I126-V346 HydrophobicContact CG2-CG1 3.96Å; L127-V346 WeakPolarHBondContact O-CG1 3.11Å; Y128-V346 HydrophobicContact CD2-CG1 4.09Å; Y128-V346 HydrophobicContact CG-CG1 4.49Å; L340-V346 HydrophobicContact CB-CB 4.39Å; L340-V346 HydrophobicContact CB-CG1 4.1Å; L340-V346 HydrophobicContact CB-CG2 3.47Å; L340-V346 VanDerWaalsContact CB-CG2 3.47Å; L340-V346 HydrophobicContact CD1-CG1 4.22Å; W341-V346 WeakPolarHBondContact CA-O 3.03Å; W341-V346 HydrophobicContact CB-CG2 4.12Å; V346-A348 PolarHBondContact O-N 3.37Å
347	H	96.7	Very high	97.5	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.12	C	C	.	.	S	Bend	trans	53.5	40.2	175.9	-64.5	-79.6	0	0	0	112.9	F57 D60 Y61 R337 N349 L350 I355 L358	F57-H347 AromaticContact CD1-CE1 3.64Å; F57-H347 AromaticContact CE1-CE1 3.6Å; D60-H347 VanDerWaalsContact OD2-CA 3.28Å; D60-H347 WeakPolarHBondContact OD2-CA 3.4Å; Y61-H347 AromaticContact CE2-CE1 3.59Å; Y61-H347 AromaticContact CE2-ND1 3.8Å; Y61-H347 AromaticContact CE2-NE2 3.82Å; Y61-H347 PolarHBondContact OH-N 3.49Å; Y61-H347 VanDerWaalsContact OH-N 3.11Å; R337-H347 PolarHBondContact NH1-NE2 3.28Å; H347-N349 PolarHBondContact O-N 3.16Å; H347-N349 VanDerWaalsContact O-N 3.16Å; H347-L350 HydrophobicContact CB-CB 4.29Å; H347-L350 HydrophobicContact CB-CD1 3.9Å; H347-L350 HydrophobicContact CB-CG 3.9Å; H347-L350 WeakPolarHBondContact O-CB 3.39Å; H347-L350 PolarHBondContact O-N 3.47Å; H347-I355 HydrophobicContact CB-CD1 3.73Å; H347-L358 VanDerWaalsContact CE1-CD2 3.43Å; H347-L358 WeakPolarHBondContact CE1-CD2 3.41Å; H347-L358 WeakPolarHBondContact ND1-CD2 3.28Å
348	A	95.1	Very high	97.5	Very high	42 Å²	42	20 Å²	20	35%	0.347	12%	0.12	S	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-33.2	-164.6	0	0	0	0	0	113.8	D60 V346	D60-A348 PolarHBondContact OD1-N 2.97Å; D60-A348 PolarHBondContact OD2-N 2.87Å; V346-A348 PolarHBondContact O-N 3.37Å
349	N	95.9	Very high	97.5	Very high	109 Å²	109	20 Å²	20	58%	0.583	12%	0.12	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	21	179.8	-59.2	-80.1	0	0	0	113.4	R59 D60 H347	R59-N349 PolarHBondContact NH1-O 3.18Å; D60-N349 VanDerWaalsContact OD1-CB 3.31Å; D60-N349 WeakPolarHBondContact OD1-CB 3.49Å; D60-N349 PolarHBondContact OD1-N 2.83Å; D60-N349 PolarHBondContact OD1-ND2 2.92Å; D60-N349 PolarHBondContact OD2-N 2.93Å; H347-N349 PolarHBondContact O-N 3.16Å; H347-N349 VanDerWaalsContact O-N 3.16Å
350	L	97.4	Very high	97.5	Very high	6 Å²	6	20 Å²	20	3%	0.031	12%	0.12	C	C	.	.			trans	-98.5	124.9	170.7	-60	-159.6	0	0	0	112.5	L56 R59 W341 H347 E354 I355 L358	L56-L350 HydrophobicContact CB-CD1 4.19Å; L56-L350 HydrophobicContact CB-CD2 4.35Å; L56-L350 HydrophobicContact CD2-CD1 4.46Å; L56-L350 HydrophobicContact CD2-CD2 3.8Å; R59-L350 HydrophobicContact CB-CD2 4.49Å; W341-L350 PolarHBondContact NE1-O 2.83Å; H347-L350 HydrophobicContact CB-CB 4.29Å; H347-L350 HydrophobicContact CB-CD1 3.9Å; H347-L350 HydrophobicContact CB-CG 3.9Å; H347-L350 WeakPolarHBondContact O-CB 3.39Å; H347-L350 PolarHBondContact O-N 3.47Å; L350-E354 HydrophobicContact CB-CB 4.37Å; L350-I355 HydrophobicContact CB-CB 4.28Å; L350-I355 HydrophobicContact CD1-CD1 4.1Å; L350-L358 HydrophobicContact CD1-CD2 3.85Å
351	E	97.4	Very high	97.5	Very high	112 Å²	112	20 Å²	20	52%	0.523	12%	0.12	S	C	.	.			trans	-64.9	159.8	169.9	-69.3	-64	158.9	0	0	112.4	A353 E354 I355	E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.03Å; E351-E354 HydrophobicContact CB-CB 4.36Å; E351-E354 HydrophobicContact CB-CG 4.41Å; E351-E354 WeakPolarHBondContact O-CA 3.5Å; E351-E354 PolarHBondContact O-N 3.02Å; E351-I355 PolarHBondContact O-N 3.27Å
352	P	98.3	Very high	97.5	Very high	26 Å²	26	20 Å²	20	17%	0.169	12%	0.121	C	C	.	.	H	α-helix	trans	-51.8	-41.4	178.5	-27.5	34	0	0	0	114.4	W341 E354 I355 L356 A609 V610 I613	W341-P352 HydrophobicContact CH2-CB 4.11Å; W341-P352 HydrophobicContact CH2-CG 4Å; W341-P352 HydrophobicContact CZ2-CG 4.25Å; P352-E354 VanDerWaalsContact C-N 3.32Å; P352-E354 PolarHBondContact O-N 3.36Å; P352-I355 WeakPolarHBondContact O-CG2 3.43Å; P352-L356 VanDerWaalsContact O-CB 3.23Å; P352-L356 WeakPolarHBondContact O-CB 3.46Å; P352-L356 PolarHBondContact O-N 3.47Å; P352-L356 VanDerWaalsContact O-N 3.15Å; P352-A609 HydrophobicContact CB-CB 3.81Å; P352-A609 HydrophobicContact CG-CB 3.86Å; P352-V610 HydrophobicContact CB-CG2 3.99Å; P352-I613 HydrophobicContact CB-CD1 3.98Å
353	A	98.3	Very high	97.6	Very high	13 Å²	13	20 Å²	20	11%	0.107	12%	0.12	C	C	.	.	H	α-helix	trans	-68.3	-30.1	175	0	0	0	0	0	113	K21 I25 E351 Y357 I613	K21-A353 HydrophobicContact CB-CB 4Å; K21-A353 HydrophobicContact CD-CB 4.26Å; I25-A353 WeakPolarHBondContact CD1-O 3.17Å; E351-A353 VanDerWaalsContact C-N 3.29Å; E351-A353 PolarHBondContact O-N 3.03Å; A353-Y357 WeakPolarHBondContact O-CB 3.35Å; A353-Y357 PolarHBondContact O-N 3.4Å; A353-I613 HydrophobicContact CB-CD1 4.12Å
354	E	98.4	Very high	97.7	Very high	9 Å²	9	18.5 Å²	18.5	4%	0.042	11%	0.112	C	C	.	.	H	α-helix	trans	-84.5	-38	-174.6	-73.3	178.1	134.8	0	0	111.9	K21 R52 L56 R59 L350 E351 P352 L356 Y357 L358	K21-E354 HydrophobicContact CD-CG 4.38Å; K21-E354 WeakPolarHBondContact CE-OE1 3.5Å; K21-E354 IonicContact NZ-OE1 3.94Å; K21-E354 PolarHBondContact NZ-OE1 3.26Å; K21-E354 IonicContact NZ-OE2 3.36Å; K21-E354 PolarHBondContact NZ-OE2 3.05Å; R52-E354 IonicContact CZ-OE1 2.68Å; R52-E354 IonicContact NH2-OE1 2.76Å; R52-E354 PolarHBondContact NH2-OE1 2.91Å; L56-E354 HydrophobicContact CD2-CB 3.79Å; L56-E354 HydrophobicContact CD2-CG 4.06Å; R59-E354 IonicContact CZ-OE1 3.9Å; R59-E354 IonicContact CZ-OE2 3.28Å; R59-E354 IonicContact NH1-OE1 3.37Å; R59-E354 IonicContact NH1-OE2 3.68Å; R59-E354 PolarHBondContact NH1-OE2 3.15Å; R59-E354 VanDerWaalsContact NH2-CD 3.33Å; R59-E354 IonicContact NH2-OE1 2.71Å; R59-E354 PolarHBondContact NH2-OE1 2.95Å; R59-E354 IonicContact NH2-OE2 2.74Å; R59-E354 PolarHBondContact NH2-OE2 2.61Å; L350-E354 HydrophobicContact CB-CB 4.37Å; E351-E354 HydrophobicContact CB-CB 4.36Å; E351-E354 HydrophobicContact CB-CG 4.41Å; E351-E354 WeakPolarHBondContact O-CA 3.5Å; E351-E354 PolarHBondContact O-N 3.02Å; P352-E354 VanDerWaalsContact C-N 3.32Å; P352-E354 PolarHBondContact O-N 3.36Å; E354-L356 VanDerWaalsContact C-N 3.33Å; E354-Y357 PolarHBondContact O-N 2.75Å; E354-L358 WeakPolarHBondContact O-CB 3.09Å; E354-L358 PolarHBondContact O-N 3.14Å
355	I	98.8	Very high	97.8	Very high	0 Å²	0	17.1 Å²	17.1	0%	0	10%	0.097	C	C	.	.	H	α-helix	trans	-66.8	-35.5	168.3	-166.7	66.3	0	0	0	111.5	R337 L338 W341 H347 L350 E351 P352 L358 T359 V610	R337-I355 HydrophobicContact CG-CD1 4.14Å; L338-I355 HydrophobicContact CD2-CG1 3.76Å; L338-I355 HydrophobicContact CD2-CG2 4.11Å; W341-I355 HydrophobicContact CB-CD1 4.27Å; W341-I355 HydrophobicContact CB-CG1 4.15Å; W341-I355 HydrophobicContact CD2-CB 4.09Å; W341-I355 HydrophobicContact CD2-CG1 3.95Å; W341-I355 HydrophobicContact CD2-CG2 3.73Å; W341-I355 HydrophobicContact CE3-CG1 4.49Å; W341-I355 HydrophobicContact CE3-CG2 3.92Å; W341-I355 HydrophobicContact CG-CB 4.25Å; W341-I355 HydrophobicContact CG-CD1 4.11Å; W341-I355 HydrophobicContact CG-CG1 3.74Å; W341-I355 HydrophobicContact CG-CG2 4.39Å; W341-I355 HydrophobicContact CH2-CG2 3.87Å; W341-I355 HydrophobicContact CZ2-CB 4.49Å; W341-I355 HydrophobicContact CZ2-CG2 3.69Å; W341-I355 HydrophobicContact CZ3-CG2 3.98Å; H347-I355 HydrophobicContact CB-CD1 3.73Å; L350-I355 HydrophobicContact CB-CB 4.28Å; L350-I355 HydrophobicContact CD1-CD1 4.1Å; E351-I355 PolarHBondContact O-N 3.27Å; P352-I355 WeakPolarHBondContact O-CG2 3.43Å; I355-L358 HydrophobicContact CD1-CD2 4.49Å; I355-L358 PolarHBondContact O-N 3.1Å; I355-T359 WeakPolarHBondContact O-CB 3.49Å; I355-T359 PolarHBondContact O-N 2.93Å; I355-T359 PolarHBondContact O-OG1 3.16Å; I355-V610 HydrophobicContact CG2-CG2 3.74Å
356	L	98.9	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-63.8	-47	174.6	-179.8	61.6	0	0	0	111.1	I25 P352 E354 L358 T359 I360 F386 V610 I613 F614	I25-L356 HydrophobicContact CD1-CB 4.31Å; I25-L356 HydrophobicContact CD1-CD2 4.19Å; I25-L356 HydrophobicContact CD1-CG 4.08Å; I25-L356 HydrophobicContact CG1-CD2 4.3Å; I25-L356 HydrophobicContact CG2-CD2 3.96Å; I25-L356 HydrophobicContact CG2-CG 4.47Å; P352-L356 VanDerWaalsContact O-CB 3.23Å; P352-L356 WeakPolarHBondContact O-CB 3.46Å; P352-L356 PolarHBondContact O-N 3.47Å; P352-L356 VanDerWaalsContact O-N 3.15Å; E354-L356 VanDerWaalsContact C-N 3.33Å; L356-L358 PolarHBondContact O-N 2.69Å; L356-T359 PolarHBondContact O-N 3.02Å; L356-I360 HydrophobicContact CD1-CD1 3.77Å; L356-I360 HydrophobicContact CD1-CG1 4.12Å; L356-I360 HydrophobicContact CG-CD1 3.89Å; L356-I360 WeakPolarHBondContact O-CG1 3.3Å; L356-I360 PolarHBondContact O-N 2.79Å; L356-F386 HydrophobicContact CD1-CD1 3.56Å; L356-F386 HydrophobicContact CD1-CE1 3.45Å; L356-F386 VanDerWaalsContact CD1-CE1 3.45Å; L356-F386 HydrophobicContact CD1-CG 4.45Å; L356-F386 HydrophobicContact CD1-CZ 4.28Å; L356-V610 HydrophobicContact CB-CG1 4.28Å; L356-V610 HydrophobicContact CD1-CG1 3.99Å; L356-I613 HydrophobicContact CD2-CB 3.93Å; L356-I613 HydrophobicContact CD2-CG2 3.66Å; L356-F614 HydrophobicContact CD1-CB 4Å; L356-F614 HydrophobicContact CD1-CD2 4.26Å; L356-F614 HydrophobicContact CD2-CB 3.9Å
357	Y	98.8	Very high	98	Very high	21 Å²	21	16.4 Å²	16.4	8%	0.082	9%	0.091	C	C	.	.	H	α-helix	trans	-55.4	-52	174.2	-170.3	-80.5	0	0	0	110.8	Q24 I25 L28 I49 R52 L56 A353 E354 T359 I360 A361	Q24-Y357 HydrophobicContact CB-CD2 4.44Å; Q24-Y357 HydrophobicContact CB-CE2 4.3Å; I25-Y357 HydrophobicContact CD1-CD2 4.01Å; I25-Y357 HydrophobicContact CD1-CG 4.33Å; L28-Y357 HydrophobicContact CB-CE2 4.35Å; L28-Y357 HydrophobicContact CD2-CD1 4.46Å; L28-Y357 HydrophobicContact CD2-CD2 3.89Å; L28-Y357 HydrophobicContact CD2-CE2 3.96Å; L28-Y357 HydrophobicContact CD2-CG 4.16Å; I49-Y357 WeakPolarHBondContact CG1-OH 3.45Å; R52-Y357 HydrophobicContact CB-CE1 3.79Å; R52-Y357 HydrophobicContact CG-CD1 3.98Å; R52-Y357 HydrophobicContact CG-CE1 3.41Å; R52-Y357 VanDerWaalsContact CG-CE1 3.41Å; L56-Y357 HydrophobicContact CD1-CD1 3.92Å; A353-Y357 WeakPolarHBondContact O-CB 3.35Å; A353-Y357 PolarHBondContact O-N 3.4Å; E354-Y357 PolarHBondContact O-N 2.75Å; Y357-T359 VanDerWaalsContact C-N 3.31Å; Y357-T359 PolarHBondContact O-N 2.82Å; Y357-I360 PolarHBondContact O-N 2.96Å; Y357-A361 HydrophobicContact CD1-CB 4.14Å; Y357-A361 HydrophobicContact CE1-CB 3.99Å; Y357-A361 WeakPolarHBondContact O-CB 3.46Å; Y357-A361 PolarHBondContact O-N 2.83Å
358	L	98.8	Very high	98	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-60.2	-40.7	-179.2	-174.6	63.5	0	0	0	112	C53 L56 F57 H347 L350 E354 I355 L356 Y362	C53-L358 HydrophobicContact CB-CD1 3.96Å; L56-L358 HydrophobicContact CB-CD1 4.34Å; L56-L358 HydrophobicContact CD1-CB 4.12Å; F57-L358 HydrophobicContact CD2-CD1 4.16Å; F57-L358 HydrophobicContact CE1-CD2 4.21Å; F57-L358 HydrophobicContact CE2-CD1 3.74Å; F57-L358 HydrophobicContact CZ-CD1 3.99Å; F57-L358 HydrophobicContact CZ-CD2 4.33Å; H347-L358 VanDerWaalsContact CE1-CD2 3.43Å; H347-L358 WeakPolarHBondContact CE1-CD2 3.41Å; H347-L358 WeakPolarHBondContact ND1-CD2 3.28Å; L350-L358 HydrophobicContact CD1-CD2 3.85Å; E354-L358 WeakPolarHBondContact O-CB 3.09Å; E354-L358 PolarHBondContact O-N 3.14Å; I355-L358 HydrophobicContact CD1-CD2 4.49Å; I355-L358 PolarHBondContact O-N 3.1Å; L356-L358 PolarHBondContact O-N 2.69Å; L358-Y362 WeakPolarHBondContact O-CA 3.29Å; L358-Y362 WeakPolarHBondContact O-CB 3.28Å; L358-Y362 PolarHBondContact O-N 2.99Å
359	T	98.8	Very high	98.1	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.075	C	C	.	.	I	π-helix	trans	-67	-49.3	179.7	-52.9	0	0	0	0	111.1	S334 L338 I355 L356 Y357 D363 W364 F386	S334-T359 VanDerWaalsContact CB-CG2 3.49Å; S334-T359 WeakPolarHBondContact OG-CG2 3.2Å; L338-T359 HydrophobicContact CD1-CG2 4.26Å; L338-T359 HydrophobicContact CG-CG2 4.45Å; I355-T359 WeakPolarHBondContact O-CB 3.49Å; I355-T359 PolarHBondContact O-N 2.93Å; I355-T359 PolarHBondContact O-OG1 3.16Å; L356-T359 PolarHBondContact O-N 3.02Å; Y357-T359 VanDerWaalsContact C-N 3.31Å; Y357-T359 PolarHBondContact O-N 2.82Å; T359-D363 WeakPolarHBondContact O-CA 3.38Å; T359-D363 WeakPolarHBondContact O-CB 3.46Å; T359-D363 PolarHBondContact O-N 3.07Å; T359-W364 PolarHBondContact O-N 2.82Å; T359-F386 HydrophobicContact CG2-CE1 3.92Å; T359-F386 HydrophobicContact CG2-CZ 3.89Å
360	I	98.8	Very high	98	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.058	C	C	.	.	I	π-helix	trans	-64.3	-48	177.8	-61.9	167.6	0	0	0	110.7	I25 L28 I29 F32 L356 Y357 W364 F365 F382 F386 F614	I25-I360 HydrophobicContact CG2-CD1 4.12Å; L28-I360 HydrophobicContact CD2-CB 3.78Å; L28-I360 HydrophobicContact CD2-CG2 3.69Å; L28-I360 HydrophobicContact CG-CB 4.47Å; L28-I360 HydrophobicContact CG-CG2 3.82Å; I29-I360 HydrophobicContact CD1-CD1 4.1Å; I29-I360 HydrophobicContact CG1-CD1 4.04Å; F32-I360 HydrophobicContact CD1-CG2 4.08Å; L356-I360 HydrophobicContact CD1-CD1 3.77Å; L356-I360 HydrophobicContact CD1-CG1 4.12Å; L356-I360 HydrophobicContact CG-CD1 3.89Å; L356-I360 WeakPolarHBondContact O-CG1 3.3Å; L356-I360 PolarHBondContact O-N 2.79Å; Y357-I360 PolarHBondContact O-N 2.96Å; I360-W364 WeakPolarHBondContact O-CB 3.43Å; I360-W364 PolarHBondContact O-N 2.79Å; I360-F365 PolarHBondContact O-N 3.26Å; I360-F382 HydrophobicContact CG1-CE2 4.35Å; I360-F382 HydrophobicContact CG1-CZ 4.21Å; I360-F382 HydrophobicContact CG2-CE2 4.23Å; I360-F382 HydrophobicContact CG2-CZ 3.96Å; I360-F386 HydrophobicContact CG1-CE1 4.29Å; I360-F386 HydrophobicContact CG1-CE2 4.11Å; I360-F386 HydrophobicContact CG1-CZ 3.67Å; I360-F614 HydrophobicContact CD1-CD2 4.13Å
361	A	98.6	Very high	98	Very high	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.057	C	C	.	.	I	π-helix	trans	-67.3	-55.4	-175.9	0	0	0	0	0	111.6	L28 I49 C53 Y357 F365 L366	L28-A361 HydrophobicContact CD1-CB 4.23Å; L28-A361 HydrophobicContact CD2-CB 3.88Å; I49-A361 HydrophobicContact CG2-CB 3.66Å; C53-A361 VanDerWaalsContact SG-CB 3.54Å; Y357-A361 HydrophobicContact CD1-CB 4.14Å; Y357-A361 HydrophobicContact CE1-CB 3.99Å; Y357-A361 WeakPolarHBondContact O-CB 3.46Å; Y357-A361 PolarHBondContact O-N 2.83Å; A361-F365 PolarHBondContact O-N 3.39Å; A361-L366 WeakPolarHBondContact O-CB 3.47Å; A361-L366 VanDerWaalsContact O-CG 3.27Å; A361-L366 WeakPolarHBondContact O-CG 3.46Å; A361-L366 PolarHBondContact O-N 3.45Å
362	Y	98.4	Very high	98	Very high	3 Å²	3	7.8 Å²	7.8	1%	0.012	4%	0.044	C	C	.	.	I	π-helix	trans	-84	-47	-172.1	-158	-103.5	0	0	0	112.1	C53 F57 P78 V82 V125 L358 L366 F367	C53-Y362 HydrophobicContact CB-CD2 4.19Å; F57-Y362 HydrophobicContact CE2-CD1 4.1Å; F57-Y362 AromaticContact CE2-CD2 3.97Å; F57-Y362 HydrophobicContact CE2-CD2 3.97Å; F57-Y362 HydrophobicContact CE2-CE1 4.1Å; F57-Y362 AromaticContact CE2-CE2 3.99Å; F57-Y362 HydrophobicContact CE2-CE2 3.99Å; F57-Y362 HydrophobicContact CE2-CG 4.03Å; F57-Y362 AromaticContact CZ-CD1 3.81Å; F57-Y362 HydrophobicContact CZ-CD1 3.81Å; F57-Y362 AromaticContact CZ-CE1 3.84Å; F57-Y362 HydrophobicContact CZ-CE1 3.84Å; F57-Y362 HydrophobicContact CZ-CG 4.16Å; P78-Y362 HydrophobicContact CG-CD2 4.4Å; P78-Y362 HydrophobicContact CG-CE2 3.86Å; V82-Y362 HydrophobicContact CG2-CE2 4.25Å; V82-Y362 PolarHBondContact N-OH 2.72Å; V125-Y362 HydrophobicContact CG1-CE1 4.09Å; L358-Y362 WeakPolarHBondContact O-CA 3.29Å; L358-Y362 WeakPolarHBondContact O-CB 3.28Å; L358-Y362 PolarHBondContact O-N 2.99Å; Y362-L366 HydrophobicContact CD2-CD1 4.18Å; Y362-F367 HydrophobicContact CD1-CE2 4.19Å; Y362-F367 AromaticContact CE1-CE2 3.86Å; Y362-F367 HydrophobicContact CE1-CE2 3.86Å; Y362-F367 HydrophobicContact CE1-CZ 4.47Å; Y362-F367 HydrophobicContact CE2-CE2 4.41Å; Y362-F367 AromaticContact CZ-CE2 3.97Å; Y362-F367 WeakPolarHBondContact O-CD2 3.43Å
363	D	98.4	Very high	97.9	Very high	0 Å²	0	8 Å²	8	0%	0	4%	0.043	C	C	.	.	I	π-helix	trans	-77.3	-29.1	-176.3	-66	-43.2	0	0	0	113.4	R135 P330 V333 R337 T359	R135-D363 PolarHBondContact NH1-O 3.08Å; R135-D363 IonicContact NH1-OD1 2.69Å; R135-D363 PolarHBondContact NH2-O 2.57Å; P330-D363 WeakPolarHBondContact CB-O 3.46Å; V333-D363 HydrophobicContact CG1-CB 4.46Å; V333-D363 WeakPolarHBondContact CG1-OD1 3.16Å; R337-D363 IonicContact CZ-OD1 3.57Å; R337-D363 IonicContact CZ-OD2 3.58Å; R337-D363 VanDerWaalsContact CZ-OD2 3.29Å; R337-D363 IonicContact NE-OD1 3.75Å; R337-D363 IonicContact NE-OD2 3.61Å; R337-D363 PolarHBondContact NE-OD2 2.9Å; R337-D363 VanDerWaalsContact NH2-CG 3.31Å; R337-D363 IonicContact NH2-OD1 2.7Å; R337-D363 PolarHBondContact NH2-OD1 3.23Å; R337-D363 IonicContact NH2-OD2 3.6Å; R337-D363 PolarHBondContact NH2-OD2 3.02Å; T359-D363 WeakPolarHBondContact O-CA 3.38Å; T359-D363 WeakPolarHBondContact O-CB 3.46Å; T359-D363 PolarHBondContact O-N 3.07Å
364	W	98.6	Very high	97.8	Very high	0 Å²	0	8.4 Å²	8.4	0%	0	4%	0.042	C	C	.	.	I	π-helix	trans	-106.4	-66.3	-179.9	-62.1	79.2	0	0	0	113.3	F32 P330 L331 S334 T359 I360 H369 I381 F382 C385	F32-W364 HydrophobicContact CE1-CB 3.56Å; F32-W364 HydrophobicContact CE1-CG 4.45Å; F32-W364 HydrophobicContact CZ-CB 3.65Å; P330-W364 HydrophobicContact CB-CD2 3.74Å; P330-W364 HydrophobicContact CB-CE3 4.04Å; P330-W364 HydrophobicContact CB-CG 4.2Å; P330-W364 HydrophobicContact CB-CH2 4.28Å; P330-W364 HydrophobicContact CB-CZ2 3.99Å; P330-W364 HydrophobicContact CB-CZ3 4.3Å; P330-W364 HydrophobicContact CG-CD2 4.04Å; P330-W364 HydrophobicContact CG-CE3 3.79Å; P330-W364 HydrophobicContact CG-CH2 3.97Å; P330-W364 HydrophobicContact CG-CZ2 4.2Å; P330-W364 HydrophobicContact CG-CZ3 3.76Å; L331-W364 HydrophobicContact CB-CH2 4.31Å; L331-W364 HydrophobicContact CB-CZ2 4.34Å; S334-W364 PolarHBondContact OG-NE1 3.31Å; T359-W364 PolarHBondContact O-N 2.82Å; I360-W364 WeakPolarHBondContact O-CB 3.43Å; I360-W364 PolarHBondContact O-N 2.79Å; W364-H369 HydrophobicContact CE3-CB 4.47Å; W364-H369 AromaticContact CE3-CD2 3.79Å; W364-H369 AromaticContact CE3-CG 3.75Å; W364-H369 AromaticContact CE3-ND1 3.88Å; W364-H369 AromaticContact CZ3-CD2 3.96Å; W364-H369 AromaticContact CZ3-NE2 3.97Å; W364-H369 WeakPolarHBondContact O-CB 3.34Å; W364-H369 PolarHBondContact O-N 3.4Å; W364-I381 HydrophobicContact CZ3-CG2 4.47Å; W364-F382 HydrophobicContact CB-CD2 4.5Å; W364-F382 HydrophobicContact CB-CE2 4.31Å; W364-F382 AromaticContact CD2-CD2 3.62Å; W364-F382 HydrophobicContact CD2-CD2 3.62Å; W364-F382 HydrophobicContact CD2-CE2 4.15Å; W364-F382 HydrophobicContact CE3-CB 4.36Å; W364-F382 AromaticContact CE3-CD2 3.73Å; W364-F382 HydrophobicContact CE3-CD2 3.73Å; W364-F382 AromaticContact CG-CD2 3.97Å; W364-F382 HydrophobicContact CG-CD2 3.97Å; W364-F382 AromaticContact CG-CE2 3.99Å; W364-F382 HydrophobicContact CG-CE2 3.99Å; W364-F382 HydrophobicContact CZ3-CB 4.14Å; W364-F382 HydrophobicContact CZ3-CD2 4.23Å; W364-C385 HydrophobicContact CH2-CB 4.33Å; W364-C385 HydrophobicContact CZ2-CB 3.69Å
365	F	98.5	Very high	97.7	Very high	2 Å²	2	10 Å²	10	1%	0.009	5%	0.051	C	C	.	.	I	π-helix	trans	-66	-60.2	-167.3	175.7	-116.7	0	0	0	113.4	L28 L31 F32 Y37 V46 I49 I360 A361 F367 G368	L28-F365 HydrophobicContact CD1-CD1 4.46Å; L31-F365 HydrophobicContact CD2-CE1 4.18Å; L31-F365 HydrophobicContact CD2-CZ 3.83Å; L31-F365 HydrophobicContact CG-CZ 4.23Å; F32-F365 HydrophobicContact CB-CD2 3.97Å; F32-F365 HydrophobicContact CB-CG 4.48Å; F32-F365 HydrophobicContact CD1-CB 4.31Å; F32-F365 HydrophobicContact CD2-CB 4.15Å; F32-F365 AromaticContact CD2-CD2 3.58Å; F32-F365 HydrophobicContact CD2-CD2 3.58Å; F32-F365 HydrophobicContact CD2-CE2 4.49Å; F32-F365 HydrophobicContact CD2-CG 4.33Å; F32-F365 HydrophobicContact CE2-CB 4.43Å; F32-F365 HydrophobicContact CE2-CD2 4.33Å; F32-F365 HydrophobicContact CG-CB 4.1Å; F32-F365 AromaticContact CG-CD2 3.93Å; F32-F365 HydrophobicContact CG-CD2 3.93Å; F32-F365 HydrophobicContact CG-CG 4.4Å; Y37-F365 WeakPolarHBondContact CB-O 3.48Å; Y37-F365 HydrophobicContact CD2-CE1 4.33Å; V46-F365 HydrophobicContact CG1-CE1 4.29Å; V46-F365 HydrophobicContact CG2-CE1 4.06Å; V46-F365 HydrophobicContact CG2-CZ 3.92Å; I49-F365 HydrophobicContact CD1-CD1 4.37Å; I49-F365 HydrophobicContact CD1-CE1 3.9Å; I49-F365 HydrophobicContact CG2-CD1 4.29Å; I360-F365 PolarHBondContact O-N 3.26Å; A361-F365 PolarHBondContact O-N 3.39Å; F365-F367 PolarHBondContact O-N 2.96Å; F365-G368 WeakPolarHBondContact O-CA 3.36Å; F365-G368 PolarHBondContact O-N 3.28Å
366	L	97.9	Very high	97.6	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.083	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.7	-20.2	-175.7	-61.5	174	0	0	0	113.1	Y37 V46 I49 E50 Y77 P78 A361 Y362 G368	Y37-L366 WeakPolarHBondContact CD1-O 3.43Å; Y37-L366 HydrophobicContact CD2-CD2 3.53Å; Y37-L366 WeakPolarHBondContact CE1-O 3.29Å; Y37-L366 HydrophobicContact CE2-CD2 3.46Å; Y37-L366 VanDerWaalsContact CE2-CD2 3.46Å; Y37-L366 HydrophobicContact CG-CD2 4.44Å; V46-L366 HydrophobicContact CG1-CD2 4.13Å; I49-L366 HydrophobicContact CG2-CD1 4.27Å; I49-L366 HydrophobicContact CG2-CD2 4.25Å; I49-L366 HydrophobicContact CG2-CG 4.32Å; E50-L366 HydrophobicContact CG-CD1 4.04Å; E50-L366 HydrophobicContact CG-CD2 3.68Å; Y77-L366 CarbonylContact C-O 3.55Å; P78-L366 HydrophobicContact CB-CB 4.43Å; P78-L366 WeakPolarHBondContact CD-O 3.34Å; P78-L366 HydrophobicContact CG-CB 3.9Å; A361-L366 WeakPolarHBondContact O-CB 3.47Å; A361-L366 VanDerWaalsContact O-CG 3.27Å; A361-L366 WeakPolarHBondContact O-CG 3.46Å; A361-L366 PolarHBondContact O-N 3.45Å; Y362-L366 HydrophobicContact CD2-CD1 4.18Å; L366-G368 PolarHBondContact O-N 2.74Å
367	F	97.6	Very high	97.5	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	-85.3	22.2	167.4	-85.1	-109.9	0	0	0	112.8	H76 Y77 P78 R120 C123 V125 R135 Y362 F365 H369	H76-F367 CarbonylContact O-C 3.48Å; H76-F367 WeakPolarHBondContact O-CA 3.09Å; Y77-F367 AromaticContact CD1-CD1 3.4Å; Y77-F367 HydrophobicContact CD1-CD1 3.4Å; Y77-F367 VanDerWaalsContact CD1-CD1 3.4Å; Y77-F367 AromaticContact CD1-CE1 3.6Å; Y77-F367 HydrophobicContact CD1-CE1 3.6Å; Y77-F367 HydrophobicContact CD1-CG 4.22Å; Y77-F367 HydrophobicContact CD2-CE1 4.29Å; Y77-F367 AromaticContact CE1-CD1 3.41Å; Y77-F367 HydrophobicContact CE1-CD1 3.41Å; Y77-F367 VanDerWaalsContact CE1-CD1 3.41Å; Y77-F367 AromaticContact CE1-CE1 3.56Å; Y77-F367 HydrophobicContact CE1-CE1 3.56Å; Y77-F367 HydrophobicContact CE2-CE1 4.27Å; Y77-F367 HydrophobicContact CG-CD1 4.18Å; Y77-F367 AromaticContact CG-CE1 3.98Å; Y77-F367 HydrophobicContact CG-CE1 3.98Å; Y77-F367 AromaticContact CZ-CE1 3.9Å; P78-F367 VanDerWaalsContact CD-CE2 3.44Å; P78-F367 HydrophobicContact CG-CD2 3.87Å; P78-F367 HydrophobicContact CG-CE2 3.59Å; P78-F367 HydrophobicContact CG-CZ 4.44Å; R120-F367 PolarHBondContact NH1-O 2.96Å; R120-F367 VanDerWaalsContact NH1-O 3.13Å; R120-F367 PolarHBondContact NH2-O 3.22Å; C123-F367 HydrophobicContact CB-CE1 4.12Å; C123-F367 HydrophobicContact CB-CZ 4.36Å; V125-F367 HydrophobicContact CG1-CE1 4.39Å; V125-F367 HydrophobicContact CG1-CE2 4.38Å; V125-F367 HydrophobicContact CG1-CZ 3.84Å; R135-F367 HydrophobicContact CG-CD1 4.41Å; R135-F367 HydrophobicContact CG-CE1 4Å; Y362-F367 HydrophobicContact CD1-CE2 4.19Å; Y362-F367 AromaticContact CE1-CE2 3.86Å; Y362-F367 HydrophobicContact CE1-CE2 3.86Å; Y362-F367 HydrophobicContact CE1-CZ 4.47Å; Y362-F367 HydrophobicContact CE2-CE2 4.41Å; Y362-F367 AromaticContact CZ-CE2 3.97Å; Y362-F367 WeakPolarHBondContact O-CD2 3.43Å; F365-F367 PolarHBondContact O-N 2.96Å; F367-H369 VanDerWaalsContact C-N 3.35Å; F367-H369 PolarHBondContact O-N 3.25Å
368	G	96.4	Very high	97.3	Very high	0 Å²	0	17.6 Å²	17.6	0%	0	10%	0.098	C	C	.	.	T	Hydrogen-bonded Turn	trans	65	30.8	165.5	0	0	0	0	0	114.5	Q36 H76 W326 F365 L366	Q36-G368 PolarHBondContact NE2-O 3.31Å; H76-G368 PolarHBondContact O-N 3.46Å; W326-G368 VanDerWaalsContact CE2-O 3.3Å; W326-G368 PolarHBondContact NE1-O 3.24Å; F365-G368 WeakPolarHBondContact O-CA 3.36Å; F365-G368 PolarHBondContact O-N 3.28Å; L366-G368 PolarHBondContact O-N 2.74Å
369	H	97.1	Very high	97.2	Very high	2 Å²	2	18.4 Å²	18.4	1%	0.009	10%	0.102	C	C	.	.			trans	-63.7	149.5	177.9	-179.3	-91.6	0	0	0	112.2	F32 Q36 D327 W364 F367 L371 R374	F32-H369 HydrophobicContact CE2-CB 3.99Å; F32-H369 AromaticContact CE2-ND1 3.84Å; F32-H369 HydrophobicContact CZ-CB 3.81Å; F32-H369 AromaticContact CZ-CG 3.94Å; F32-H369 AromaticContact CZ-ND1 3.42Å; F32-H369 WeakPolarHBondContact CZ-ND1 3.43Å; Q36-H369 WeakPolarHBondContact CG-O 3.06Å; D327-H369 WeakPolarHBondContact CA-NE2 3.3Å; D327-H369 PolarHBondContact N-NE2 3.36Å; D327-H369 IonicContact OD1-CD2 3.25Å; D327-H369 IonicContact OD1-CE1 3.71Å; D327-H369 CovalentContact OD1-NE2 1.79Å; D327-H369 IonicContact OD1-NE2 3.31Å; D327-H369 PolarHBondContact OD1-NE2 2.94Å; D327-H369 IonicContact OD2-NE2 3.39Å; W364-H369 HydrophobicContact CE3-CB 4.47Å; W364-H369 AromaticContact CE3-CD2 3.79Å; W364-H369 AromaticContact CE3-CG 3.75Å; W364-H369 AromaticContact CE3-ND1 3.88Å; W364-H369 AromaticContact CZ3-CD2 3.96Å; W364-H369 AromaticContact CZ3-NE2 3.97Å; W364-H369 WeakPolarHBondContact O-CB 3.34Å; W364-H369 PolarHBondContact O-N 3.4Å; F367-H369 VanDerWaalsContact C-N 3.35Å; F367-H369 PolarHBondContact O-N 3.25Å; H369-L371 VanDerWaalsContact CE1-CA 3.5Å; H369-L371 WeakPolarHBondContact CE1-CA 3.27Å; H369-L371 PolarHBondContact ND1-N 3.22Å; H369-L371 PolarHBondContact O-N 2.82Å; H369-R374 WeakPolarHBondContact CE1-CG 3.28Å
370	M	94.7	Very high	97.1	Very high	46 Å²	46	18.6 Å²	18.6	23%	0.227	10%	0.103	C	C	.	.			trans	-94	39.9	-169.7	-89.5	-66.1	-90.6	0	0	114	Q36 W326 P372 D373 R374	Q36-M370 HydrophobicContact CB-SD 4.27Å; Q36-M370 HydrophobicContact CG-SD 3.95Å; Q36-M370 PolarHBondContact NE2-SD 2.68Å; Q36-M370 PolarHBondContact OE1-SD 3.16Å; W326-M370 HydrophobicContact CE3-CB 4.47Å; W326-M370 HydrophobicContact CE3-CG 4.08Å; W326-M370 HydrophobicContact CH2-CG 3.83Å; W326-M370 HydrophobicContact CZ2-CG 4.35Å; W326-M370 HydrophobicContact CZ3-CB 4.49Å; W326-M370 HydrophobicContact CZ3-CG 3.66Å; M370-P372 VanDerWaalsContact C-CD 3.42Å; M370-P372 VanDerWaalsContact C-N 3.34Å; M370-P372 VanDerWaalsContact O-N 3.15Å; M370-D373 HydrophobicContact CB-CB 4.26Å; M370-D373 HydrophobicContact CE-CB 3.53Å; M370-D373 WeakPolarHBondContact O-CB 3.36Å; M370-D373 PolarHBondContact O-N 2.76Å; M370-D373 HydrophobicContact SD-CB 4.41Å; M370-R374 PolarHBondContact O-N 2.91Å
371	L	97.1	Very high	97.1	Very high	2 Å²	2	18.6 Å²	18.6	1%	0.01	10%	0.103	C	C	.	.	H	α-helix	trans	-50.7	-40.3	-174.9	-174.7	62.2	0	0	0	114.9	F32 H369 D373 R374 L375 F382	F32-L371 HydrophobicContact CB-CD2 4.31Å; F32-L371 HydrophobicContact CD1-CB 4.48Å; F32-L371 HydrophobicContact CD1-CD2 3.53Å; F32-L371 HydrophobicContact CD2-CB 3.73Å; F32-L371 HydrophobicContact CD2-CD2 4.06Å; F32-L371 HydrophobicContact CE1-CB 4.18Å; F32-L371 HydrophobicContact CE1-CD2 3.72Å; F32-L371 HydrophobicContact CE2-CB 3.38Å; F32-L371 HydrophobicContact CE2-CD2 4.24Å; F32-L371 HydrophobicContact CE2-CG 4.44Å; F32-L371 HydrophobicContact CG-CB 4.26Å; F32-L371 HydrophobicContact CG-CD2 3.7Å; F32-L371 HydrophobicContact CZ-CB 3.62Å; F32-L371 HydrophobicContact CZ-CD2 4.06Å; F32-L371 HydrophobicContact CZ-CG 4.41Å; H369-L371 VanDerWaalsContact CE1-CA 3.5Å; H369-L371 WeakPolarHBondContact CE1-CA 3.27Å; H369-L371 PolarHBondContact ND1-N 3.22Å; H369-L371 PolarHBondContact O-N 2.82Å; L371-D373 VanDerWaalsContact C-N 3.3Å; L371-D373 PolarHBondContact O-N 2.77Å; L371-R374 HydrophobicContact CD1-CB 4.48Å; L371-R374 PolarHBondContact O-N 3.43Å; L371-R374 VanDerWaalsContact O-N 3.09Å; L371-L375 HydrophobicContact CD1-CD1 4.13Å; L371-L375 HydrophobicContact CD1-CD2 4.12Å; L371-L375 HydrophobicContact CD1-CG 3.81Å; L371-L375 HydrophobicContact CD2-CD1 4.37Å; L371-L375 HydrophobicContact CG-CD1 3.84Å; L371-L375 HydrophobicContact CG-CG 4.02Å; L371-L375 WeakPolarHBondContact O-CG 3.27Å; L371-L375 PolarHBondContact O-N 2.95Å; L371-F382 HydrophobicContact CD1-CB 3.79Å; L371-F382 HydrophobicContact CD1-CD1 3.82Å; L371-F382 HydrophobicContact CD1-CG 3.99Å; L371-F382 HydrophobicContact CD2-CD1 3.82Å; L371-F382 HydrophobicContact CD2-CE1 3.93Å; L371-F382 HydrophobicContact CD2-CG 4.4Å
372	P	96.6	Very high	97.1	Very high	38 Å²	38	18.7 Å²	18.7	25%	0.247	10%	0.103	C	C	.	.	H	α-helix	trans	-60.1	-36	176.3	-22.9	33	0	0	0	114	S33 M370 S376	S33-P372 WeakPolarHBondContact O-CG 3.21Å; M370-P372 VanDerWaalsContact C-CD 3.42Å; M370-P372 VanDerWaalsContact C-N 3.34Å; M370-P372 VanDerWaalsContact O-N 3.15Å; P372-S376 PolarHBondContact O-N 2.93Å; P372-S376 PolarHBondContact O-OG 3.08Å
373	D	95.8	Very high	97.1	Very high	30 Å²	30	18.8 Å²	18.8	16%	0.16	10%	0.104	C	C	.	.	H	α-helix	trans	-77	-26.2	176	165.4	98	0	0	0	112.7	M370 L371 S376 K377	M370-D373 HydrophobicContact CB-CB 4.26Å; M370-D373 HydrophobicContact CE-CB 3.53Å; M370-D373 WeakPolarHBondContact O-CB 3.36Å; M370-D373 PolarHBondContact O-N 2.76Å; M370-D373 HydrophobicContact SD-CB 4.41Å; L371-D373 VanDerWaalsContact C-N 3.3Å; L371-D373 PolarHBondContact O-N 2.77Å; D373-S376 PolarHBondContact O-OG 2.83Å; D373-K377 WeakPolarHBondContact O-CD 3.3Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 VanDerWaalsContact OD1-CE 3.24Å; D373-K377 WeakPolarHBondContact OD1-CE 3.39Å; D373-K377 IonicContact OD1-NZ 3.6Å; D373-K377 PolarHBondContact OD1-NZ 3.34Å; D373-K377 IonicContact OD2-NZ 3.98Å; D373-K377 PolarHBondContact OD2-NZ 2.87Å
374	R	97.2	Very high	97.1	Very high	22 Å²	22	18.9 Å²	18.9	8%	0.083	10%	0.104	C	C	.	.	H	α-helix	trans	-72.8	-47.1	171.3	-59.7	-53	171.5	-138.8	5.7	111.4	C244 D327 H369 M370 L371 S376 K377 G378 E379	C244-R374 PolarHBondContact SG-NH2 2.82Å; D327-R374 IonicContact OD1-CZ 3.61Å; D327-R374 IonicContact OD1-NE 3.68Å; D327-R374 PolarHBondContact OD1-NE 3.32Å; D327-R374 IonicContact OD1-NH2 2.72Å; D327-R374 IonicContact OD2-CZ 3.22Å; D327-R374 IonicContact OD2-NE 2.77Å; D327-R374 IonicContact OD2-NH2 3.72Å; D327-R374 PolarHBondContact OD2-NH2 2.87Å; H369-R374 WeakPolarHBondContact CE1-CG 3.28Å; M370-R374 PolarHBondContact O-N 2.91Å; L371-R374 HydrophobicContact CD1-CB 4.48Å; L371-R374 PolarHBondContact O-N 3.43Å; L371-R374 VanDerWaalsContact O-N 3.09Å; R374-S376 PolarHBondContact O-N 3.03Å; R374-K377 PolarHBondContact O-N 2.84Å; R374-G378 PolarHBondContact O-N 2.76Å; R374-E379 HydrophobicContact CB-CB 4.09Å; R374-E379 WeakPolarHBondContact CD-OE2 3.45Å; R374-E379 IonicContact CZ-OE2 3.9Å; R374-E379 VanDerWaalsContact CZ-OE2 3.28Å; R374-E379 IonicContact NE-OE2 3.15Å; R374-E379 PolarHBondContact NE-OE2 3.1Å; R374-E379 IonicContact NH1-OE2 2.76Å; R374-E379 PolarHBondContact NH1-OE2 3.18Å; R374-E379 PolarHBondContact O-N 2.69Å
375	L	96.5	Very high	97.1	Very high	43 Å²	43	18.9 Å²	18.9	23%	0.225	10%	0.104	C	C	.	.	H	α-helix	trans	-64.8	-37.2	-179.5	-67.5	177.1	0	0	0	112.6	L371 K377 G378 Y618 V622	L371-L375 HydrophobicContact CD1-CD1 4.13Å; L371-L375 HydrophobicContact CD1-CD2 4.12Å; L371-L375 HydrophobicContact CD1-CG 3.81Å; L371-L375 HydrophobicContact CD2-CD1 4.37Å; L371-L375 HydrophobicContact CG-CD1 3.84Å; L371-L375 HydrophobicContact CG-CG 4.02Å; L371-L375 WeakPolarHBondContact O-CG 3.27Å; L371-L375 PolarHBondContact O-N 2.95Å; L375-K377 PolarHBondContact O-N 3.19Å; L375-G378 PolarHBondContact O-N 2.78Å; L375-Y618 WeakPolarHBondContact CD2-OH 3.36Å; L375-V622 HydrophobicContact CD1-CG1 3.92Å; L375-V622 HydrophobicContact CD1-CG2 4.2Å; L375-V622 HydrophobicContact CD2-CG1 3.69Å; L375-V622 HydrophobicContact CG-CG1 4.44Å
376	S	96.2	Very high	97.1	Very high	96 Å²	96	18.8 Å²	18.8	67%	0.671	10%	0.104	S	C	*	.	H	α-helix	trans	-67.4	-22.9	177	65.7	0	0	0	0	113.9	P372 D373 R374	P372-S376 PolarHBondContact O-N 2.93Å; P372-S376 PolarHBondContact O-OG 3.08Å; D373-S376 PolarHBondContact O-OG 2.83Å; R374-S376 PolarHBondContact O-N 3.03Å
377	K	96.2	Very high	97.1	Very high	77 Å²	77	19.3 Å²	19.3	34%	0.335	11%	0.107	S	C	.	.	H	α-helix	trans	-98.1	-17.1	176	-63.4	170.9	-165.2	160.5	0	113.9	D373 R374 L375 E379	D373-K377 WeakPolarHBondContact O-CD 3.3Å; D373-K377 WeakPolarHBondContact O-CG 3.21Å; D373-K377 VanDerWaalsContact OD1-CE 3.24Å; D373-K377 WeakPolarHBondContact OD1-CE 3.39Å; D373-K377 IonicContact OD1-NZ 3.6Å; D373-K377 PolarHBondContact OD1-NZ 3.34Å; D373-K377 IonicContact OD2-NZ 3.98Å; D373-K377 PolarHBondContact OD2-NZ 2.87Å; R374-K377 PolarHBondContact O-N 2.84Å; L375-K377 PolarHBondContact O-N 3.19Å; K377-E379 HydrophobicContact CB-CG 3.87Å; K377-E379 WeakPolarHBondContact CD-OE1 3.49Å
378	G	96	Very high	97.2	Very high	7 Å²	7	19.4 Å²	19.4	7%	0.072	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	83	19.5	-171.9	0	0	0	0	0	114.6	K248 R374 L375 E380	K248-G378 WeakPolarHBondContact CA-O 3.47Å; R374-G378 PolarHBondContact O-N 2.76Å; L375-G378 PolarHBondContact O-N 2.78Å; G378-E380 VanDerWaalsContact C-N 3.35Å; G378-E380 PolarHBondContact O-N 2.75Å
379	E	96.7	Very high	97.3	Very high	18 Å²	18	19.5 Å²	19.5	8%	0.084	11%	0.108	C	C	.	.			trans	-78.6	73.9	-179.2	-66.6	174.9	-168.9	0	0	111.3	C244 R374 K377 I381	C244-E379 HydrophobicContact CB-CB 4.38Å; C244-E379 WeakPolarHBondContact O-CB 3.2Å; C244-E379 WeakPolarHBondContact O-CG 3.31Å; C244-E379 PolarHBondContact SG-OE2 2.6Å; R374-E379 HydrophobicContact CB-CB 4.09Å; R374-E379 WeakPolarHBondContact CD-OE2 3.45Å; R374-E379 IonicContact CZ-OE2 3.9Å; R374-E379 VanDerWaalsContact CZ-OE2 3.28Å; R374-E379 IonicContact NE-OE2 3.15Å; R374-E379 PolarHBondContact NE-OE2 3.1Å; R374-E379 IonicContact NH1-OE2 2.76Å; R374-E379 PolarHBondContact NH1-OE2 3.18Å; R374-E379 PolarHBondContact O-N 2.69Å; K377-E379 HydrophobicContact CB-CG 3.87Å; K377-E379 WeakPolarHBondContact CD-OE1 3.49Å; E379-I381 PolarHBondContact O-N 2.75Å
380	E	96.1	Very high	97.3	Very high	4 Å²	4	22.6 Å²	22.6	2%	0.019	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.8	32.3	-166.5	-66.4	-84.4	-163	0	0	115.7	F247 Y250 K251 Y255 G378 F382 F383 F384 Y618	F247-E380 PolarHBondContact O-N 3.38Å; Y250-E380 HydrophobicContact CD1-CB 4.24Å; Y250-E380 HydrophobicContact CE1-CB 4.36Å; K251-E380 HydrophobicContact CB-CB 4.39Å; K251-E380 HydrophobicContact CB-CG 3.82Å; K251-E380 HydrophobicContact CD-CG 3.7Å; K251-E380 HydrophobicContact CG-CG 3.82Å; K251-E380 IonicContact NZ-OE1 3.75Å; K251-E380 PolarHBondContact NZ-OE1 3.44Å; Y255-E380 HydrophobicContact CE1-CB 4.04Å; Y255-E380 HydrophobicContact CE1-CG 3.7Å; Y255-E380 PolarHBondContact OH-OE1 3.04Å; G378-E380 VanDerWaalsContact C-N 3.35Å; G378-E380 PolarHBondContact O-N 2.75Å; E380-F382 VanDerWaalsContact C-N 3.27Å; E380-F382 PolarHBondContact O-N 3.15Å; E380-F383 HydrophobicContact CB-CB 4.36Å; E380-F383 PolarHBondContact O-N 2.93Å; E380-F384 PolarHBondContact O-N 2.8Å; E380-Y618 PolarHBondContact OE2-OH 3.22Å
381	I	98.1	Very high	97.5	Very high	0 Å²	0	21.9 Å²	21.9	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-62.9	-31.4	-178.5	-166.5	172.6	0	0	0	113.3	C244 F247 D327 L331 W364 E379 C385	C244-I381 HydrophobicContact CB-CG2 4.32Å; F247-I381 HydrophobicContact CB-CB 3.97Å; F247-I381 HydrophobicContact CD1-CB 3.98Å; F247-I381 HydrophobicContact CD1-CG1 3.99Å; F247-I381 HydrophobicContact CD2-CB 3.72Å; F247-I381 HydrophobicContact CD2-CD1 3.78Å; F247-I381 HydrophobicContact CD2-CG1 3.76Å; F247-I381 HydrophobicContact CE1-CB 4.47Å; F247-I381 HydrophobicContact CE1-CG1 3.97Å; F247-I381 HydrophobicContact CE2-CB 4.25Å; F247-I381 HydrophobicContact CE2-CD1 3.5Å; F247-I381 HydrophobicContact CE2-CG1 3.75Å; F247-I381 HydrophobicContact CG-CB 3.57Å; F247-I381 HydrophobicContact CG-CD1 4.43Å; F247-I381 HydrophobicContact CG-CG1 3.89Å; F247-I381 HydrophobicContact CZ-CD1 3.94Å; F247-I381 HydrophobicContact CZ-CG1 3.86Å; D327-I381 HydrophobicContact CB-CD1 3.97Å; D327-I381 HydrophobicContact CB-CG2 4.33Å; L331-I381 HydrophobicContact CD2-CD1 4.28Å; L331-I381 HydrophobicContact CD2-CG1 4.32Å; W364-I381 HydrophobicContact CZ3-CG2 4.47Å; E379-I381 PolarHBondContact O-N 2.75Å; I381-C385 PolarHBondContact O-N 3.02Å; I381-C385 VanDerWaalsContact O-N 3.13Å
382	F	98.5	Very high	97.5	Very high	1 Å²	1	21.8 Å²	21.8	0%	0.004	12%	0.117	C	C	.	.	H	α-helix	trans	-66.3	-47	174.5	174	-112.4	0	0	0	111.2	F32 I360 W364 L371 E380 C385 F386 F614 Y618	F32-F382 HydrophobicContact CD1-CE2 4.22Å; F32-F382 HydrophobicContact CD1-CZ 4.04Å; F32-F382 AromaticContact CE1-CD2 3.97Å; F32-F382 HydrophobicContact CE1-CD2 3.97Å; F32-F382 HydrophobicContact CE1-CE1 4.46Å; F32-F382 AromaticContact CE1-CE2 3.62Å; F32-F382 HydrophobicContact CE1-CE2 3.62Å; F32-F382 AromaticContact CE1-CZ 3.9Å; F32-F382 HydrophobicContact CE1-CZ 3.9Å; I360-F382 HydrophobicContact CG1-CE2 4.35Å; I360-F382 HydrophobicContact CG1-CZ 4.21Å; I360-F382 HydrophobicContact CG2-CE2 4.23Å; I360-F382 HydrophobicContact CG2-CZ 3.96Å; W364-F382 HydrophobicContact CB-CD2 4.5Å; W364-F382 HydrophobicContact CB-CE2 4.31Å; W364-F382 AromaticContact CD2-CD2 3.62Å; W364-F382 HydrophobicContact CD2-CD2 3.62Å; W364-F382 HydrophobicContact CD2-CE2 4.15Å; W364-F382 HydrophobicContact CE3-CB 4.36Å; W364-F382 AromaticContact CE3-CD2 3.73Å; W364-F382 HydrophobicContact CE3-CD2 3.73Å; W364-F382 AromaticContact CG-CD2 3.97Å; W364-F382 HydrophobicContact CG-CD2 3.97Å; W364-F382 AromaticContact CG-CE2 3.99Å; W364-F382 HydrophobicContact CG-CE2 3.99Å; W364-F382 HydrophobicContact CZ3-CB 4.14Å; W364-F382 HydrophobicContact CZ3-CD2 4.23Å; L371-F382 HydrophobicContact CD1-CB 3.79Å; L371-F382 HydrophobicContact CD1-CD1 3.82Å; L371-F382 HydrophobicContact CD1-CG 3.99Å; L371-F382 HydrophobicContact CD2-CD1 3.82Å; L371-F382 HydrophobicContact CD2-CE1 3.93Å; L371-F382 HydrophobicContact CD2-CG 4.4Å; E380-F382 VanDerWaalsContact C-N 3.27Å; E380-F382 PolarHBondContact O-N 3.15Å; F382-C385 WeakPolarHBondContact O-CB 3.35Å; F382-C385 PolarHBondContact O-N 2.75Å; F382-F386 HydrophobicContact CD2-CE2 4.01Å; F382-F386 HydrophobicContact CE2-CD2 4.36Å; F382-F386 AromaticContact CE2-CE2 3.58Å; F382-F386 HydrophobicContact CE2-CE2 3.58Å; F382-F386 HydrophobicContact CE2-CZ 4.45Å; F382-F386 HydrophobicContact CZ-CE2 4.16Å; F382-F386 WeakPolarHBondContact O-CD2 3.36Å; F382-F614 HydrophobicContact CD1-CZ 4.44Å; F382-F614 AromaticContact CE1-CE2 3.82Å; F382-F614 HydrophobicContact CE1-CE2 3.82Å; F382-F614 HydrophobicContact CE1-CZ 4.09Å; F382-F614 AromaticContact CZ-CE2 3.88Å; F382-F614 HydrophobicContact CZ-CE2 3.88Å; F382-Y618 HydrophobicContact CD1-CD2 4.41Å; F382-Y618 AromaticContact CD1-CE2 3.74Å; F382-Y618 HydrophobicContact CD1-CE2 3.74Å; F382-Y618 HydrophobicContact CE1-CD2 4.05Å; F382-Y618 AromaticContact CE1-CE2 3.78Å; F382-Y618 HydrophobicContact CE1-CE2 3.78Å
383	F	98.4	Very high	97.5	Very high	5 Å²	5	21.1 Å²	21.1	2%	0.022	11%	0.112	C	C	.	.	H	α-helix	trans	-64.2	-42	174.9	178.6	-98.1	0	0	0	112.2	Y250 Y255 E380 C385 F386 N387 F614 L615 Y618 L624	Y250-F383 HydrophobicContact CE1-CD1 4.06Å; Y255-F383 AromaticContact CD1-CD1 3.36Å; Y255-F383 HydrophobicContact CD1-CD1 3.36Å; Y255-F383 AromaticContact CD1-CE1 3.4Å; Y255-F383 HydrophobicContact CD1-CE1 3.4Å; Y255-F383 HydrophobicContact CD1-CG 4.41Å; Y255-F383 HydrophobicContact CD1-CZ 4.46Å; Y255-F383 AromaticContact CE1-CD1 3.64Å; Y255-F383 HydrophobicContact CE1-CD1 3.64Å; Y255-F383 AromaticContact CE1-CE1 3.94Å; Y255-F383 HydrophobicContact CE1-CE1 3.94Å; Y255-F383 HydrophobicContact CE1-CG 4.28Å; Y255-F383 HydrophobicContact CG-CD1 4.26Å; Y255-F383 AromaticContact CG-CE1 3.83Å; Y255-F383 HydrophobicContact CG-CE1 3.83Å; E380-F383 HydrophobicContact CB-CB 4.36Å; E380-F383 PolarHBondContact O-N 2.93Å; F383-C385 VanDerWaalsContact C-N 3.28Å; F383-C385 PolarHBondContact O-N 3.12Å; F383-F386 PolarHBondContact O-N 3.1Å; F383-N387 HydrophobicContact CD1-CB 4.28Å; F383-N387 HydrophobicContact CE1-CB 3.84Å; F383-N387 HydrophobicContact CZ-CB 4.08Å; F383-N387 WeakPolarHBondContact O-CB 3.39Å; F383-N387 PolarHBondContact O-N 3.1Å; F383-F614 AromaticContact CD2-CE1 3.58Å; F383-F614 HydrophobicContact CD2-CE1 3.58Å; F383-F614 HydrophobicContact CD2-CZ 4.14Å; F383-F614 HydrophobicContact CE2-CE1 4.01Å; F383-F614 HydrophobicContact CG-CE1 4.44Å; F383-L615 HydrophobicContact CD2-CD2 4.48Å; F383-L615 HydrophobicContact CE2-CD2 3.36Å; F383-L615 HydrophobicContact CZ-CD2 3.57Å; F383-Y618 HydrophobicContact CB-CE1 3.95Å; F383-Y618 AromaticContact CD2-CD1 3.39Å; F383-Y618 HydrophobicContact CD2-CD1 3.39Å; F383-Y618 AromaticContact CD2-CE1 3.42Å; F383-Y618 HydrophobicContact CD2-CE1 3.42Å; F383-Y618 VanDerWaalsContact CD2-CE1 3.42Å; F383-Y618 HydrophobicContact CD2-CG 4.06Å; F383-Y618 AromaticContact CE2-CD1 3.9Å; F383-Y618 HydrophobicContact CE2-CD1 3.9Å; F383-Y618 HydrophobicContact CE2-CE1 4.26Å; F383-Y618 HydrophobicContact CG-CD1 4.36Å; F383-Y618 AromaticContact CG-CE1 3.95Å; F383-Y618 HydrophobicContact CG-CE1 3.95Å; F383-L624 HydrophobicContact CD2-CD2 3.95Å; F383-L624 HydrophobicContact CE1-CD2 4.27Å; F383-L624 HydrophobicContact CE2-CD1 4.48Å; F383-L624 HydrophobicContact CE2-CD2 3.52Å; F383-L624 HydrophobicContact CZ-CD1 4.3Å; F383-L624 HydrophobicContact CZ-CD2 3.7Å
384	F	98.6	Very high	97.5	Very high	2 Å²	2	22 Å²	22	1%	0.009	12%	0.12	C	C	.	.	H	α-helix	trans	-52.8	-46.1	174.5	176.5	-94.6	0	0	0	111.6	F247 Y250 A257 L295 T299 L331 E380 F386 N387 F388	F247-F384 HydrophobicContact CD1-CB 3.79Å; F247-F384 HydrophobicContact CD1-CD1 4.26Å; F247-F384 HydrophobicContact CD1-CD2 4.29Å; F247-F384 AromaticContact CD1-CG 3.86Å; F247-F384 HydrophobicContact CD1-CG 3.86Å; F247-F384 HydrophobicContact CE1-CB 3.96Å; F247-F384 AromaticContact CE1-CD1 3.53Å; F247-F384 HydrophobicContact CE1-CD1 3.53Å; F247-F384 AromaticContact CE1-CD2 3.99Å; F247-F384 HydrophobicContact CE1-CD2 3.99Å; F247-F384 AromaticContact CE1-CE1 3.96Å; F247-F384 HydrophobicContact CE1-CE1 3.96Å; F247-F384 HydrophobicContact CE1-CE2 4.39Å; F247-F384 AromaticContact CE1-CG 3.54Å; F247-F384 HydrophobicContact CE1-CG 3.54Å; F247-F384 HydrophobicContact CE1-CZ 4.37Å; F247-F384 HydrophobicContact CZ-CD1 4.4Å; Y250-F384 HydrophobicContact CD1-CB 4.2Å; Y250-F384 HydrophobicContact CD1-CD2 4.34Å; Y250-F384 HydrophobicContact CD2-CD2 4.2Å; Y250-F384 HydrophobicContact CE1-CB 3.67Å; Y250-F384 HydrophobicContact CE1-CD2 4.01Å; Y250-F384 HydrophobicContact CE1-CG 4.35Å; Y250-F384 AromaticContact CE2-CD2 3.86Å; Y250-F384 HydrophobicContact CE2-CD2 3.86Å; Y250-F384 HydrophobicContact CG-CD2 4.42Å; Y250-F384 AromaticContact CZ-CD2 3.77Å; A257-F384 HydrophobicContact CB-CE2 3.87Å; L295-F384 HydrophobicContact CD1-CZ 4.26Å; L295-F384 HydrophobicContact CD2-CD2 4.13Å; L295-F384 HydrophobicContact CD2-CE2 3.69Å; L295-F384 HydrophobicContact CD2-CZ 4.17Å; L295-F384 HydrophobicContact CG-CE2 3.76Å; L295-F384 HydrophobicContact CG-CZ 3.79Å; T299-F384 HydrophobicContact CG2-CE1 4.18Å; T299-F384 HydrophobicContact CG2-CZ 4.45Å; L331-F384 HydrophobicContact CD1-CD1 3.93Å; L331-F384 HydrophobicContact CD1-CE1 4.19Å; L331-F384 HydrophobicContact CD2-CD1 4.27Å; L331-F384 HydrophobicContact CD2-CE1 4.23Å; E380-F384 PolarHBondContact O-N 2.8Å; F384-F386 VanDerWaalsContact C-N 3.26Å; F384-F386 PolarHBondContact O-N 3.41Å; F384-F386 VanDerWaalsContact O-N 3.15Å; F384-N387 PolarHBondContact O-N 3.2Å; F384-F388 HydrophobicContact CD1-CB 4.42Å; F384-F388 HydrophobicContact CE1-CB 4.18Å; F384-F388 HydrophobicContact CE1-CD2 4.07Å; F384-F388 HydrophobicContact CE1-CG 4.16Å; F384-F388 HydrophobicContact CE2-CB 4.49Å; F384-F388 HydrophobicContact CE2-CD2 4.03Å; F384-F388 HydrophobicContact CZ-CB 4.21Å; F384-F388 AromaticContact CZ-CD2 3.49Å; F384-F388 HydrophobicContact CZ-CD2 3.49Å; F384-F388 VanDerWaalsContact CZ-CD2 3.49Å; F384-F388 HydrophobicContact CZ-CE2 4.18Å; F384-F388 HydrophobicContact CZ-CG 4.03Å; F384-F388 WeakPolarHBondContact O-CB 3.17Å; F384-F388 PolarHBondContact O-N 3.03Å
385	C	98.8	Very high	97.3	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-51	-42.4	-177.8	-174.1	0	0	0	0	114	L331 S334 W364 I381 F382 F383	L331-C385 HydrophobicContact CD1-CB 3.63Å; S334-C385 VanDerWaalsContact CB-SG 3.52Å; W364-C385 HydrophobicContact CH2-CB 4.33Å; W364-C385 HydrophobicContact CZ2-CB 3.69Å; I381-C385 PolarHBondContact O-N 3.02Å; I381-C385 VanDerWaalsContact O-N 3.13Å; F382-C385 WeakPolarHBondContact O-CB 3.35Å; F382-C385 PolarHBondContact O-N 2.75Å; F383-C385 VanDerWaalsContact C-N 3.28Å; F383-C385 PolarHBondContact O-N 3.12Å
386	F	98.7	Very high	97.1	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-94.5	-31.3	-177	-61.4	-82.4	0	0	0	112.7	L338 L356 T359 I360 F382 F383 F384 F388 L389 F614	L338-F386 HydrophobicContact CD1-CD1 4.18Å; L338-F386 HydrophobicContact CD1-CE1 4.01Å; L356-F386 HydrophobicContact CD1-CD1 3.56Å; L356-F386 HydrophobicContact CD1-CE1 3.45Å; L356-F386 VanDerWaalsContact CD1-CE1 3.45Å; L356-F386 HydrophobicContact CD1-CG 4.45Å; L356-F386 HydrophobicContact CD1-CZ 4.28Å; T359-F386 HydrophobicContact CG2-CE1 3.92Å; T359-F386 HydrophobicContact CG2-CZ 3.89Å; I360-F386 HydrophobicContact CG1-CE1 4.29Å; I360-F386 HydrophobicContact CG1-CE2 4.11Å; I360-F386 HydrophobicContact CG1-CZ 3.67Å; F382-F386 HydrophobicContact CD2-CE2 4.01Å; F382-F386 HydrophobicContact CE2-CD2 4.36Å; F382-F386 AromaticContact CE2-CE2 3.58Å; F382-F386 HydrophobicContact CE2-CE2 3.58Å; F382-F386 HydrophobicContact CE2-CZ 4.45Å; F382-F386 HydrophobicContact CZ-CE2 4.16Å; F382-F386 WeakPolarHBondContact O-CD2 3.36Å; F383-F386 PolarHBondContact O-N 3.1Å; F384-F386 VanDerWaalsContact C-N 3.26Å; F384-F386 PolarHBondContact O-N 3.41Å; F384-F386 VanDerWaalsContact O-N 3.15Å; F386-F388 VanDerWaalsContact C-N 3.25Å; F386-F388 PolarHBondContact O-N 3.39Å; F386-L389 VanDerWaalsContact O-CG 3.27Å; F386-L389 WeakPolarHBondContact O-CG 3.49Å; F386-L389 PolarHBondContact O-N 3.47Å; F386-F614 HydrophobicContact CB-CB 4.07Å; F386-F614 HydrophobicContact CB-CD1 3.3Å; F386-F614 HydrophobicContact CB-CD2 3.9Å; F386-F614 HydrophobicContact CB-CE1 3.61Å; F386-F614 HydrophobicContact CB-CE2 4.18Å; F386-F614 HydrophobicContact CB-CG 3.45Å; F386-F614 VanDerWaalsContact CB-CG 3.45Å; F386-F614 HydrophobicContact CB-CZ 4.05Å; F386-F614 HydrophobicContact CD1-CD2 4.31Å; F386-F614 HydrophobicContact CD1-CG 4.4Å; F386-F614 HydrophobicContact CD2-CD1 4.45Å; F386-F614 AromaticContact CD2-CD2 3.75Å; F386-F614 HydrophobicContact CD2-CD2 3.75Å; F386-F614 HydrophobicContact CD2-CE1 4.23Å; F386-F614 AromaticContact CD2-CE2 3.49Å; F386-F614 HydrophobicContact CD2-CE2 3.49Å; F386-F614 VanDerWaalsContact CD2-CE2 3.49Å; F386-F614 HydrophobicContact CD2-CG 4.22Å; F386-F614 AromaticContact CD2-CZ 3.76Å; F386-F614 HydrophobicContact CD2-CZ 3.76Å; F386-F614 HydrophobicContact CE2-CD2 4.39Å; F386-F614 HydrophobicContact CE2-CE2 4.1Å; F386-F614 HydrophobicContact CG-CB 4.43Å; F386-F614 HydrophobicContact CG-CD1 4.07Å; F386-F614 AromaticContact CG-CD2 3.71Å; F386-F614 HydrophobicContact CG-CD2 3.71Å; F386-F614 HydrophobicContact CG-CE1 4.27Å; F386-F614 AromaticContact CG-CE2 3.94Å; F386-F614 HydrophobicContact CG-CE2 3.94Å; F386-F614 AromaticContact CG-CG 3.78Å; F386-F614 HydrophobicContact CG-CG 3.78Å; F386-F614 HydrophobicContact CG-CZ 4.21Å
387	N	98.3	Very high	97	Very high	13 Å²	13	26.6 Å²	26.6	7%	0.07	13%	0.128	C	C	.	.	H	α-helix	trans	-64	-34.7	170.6	-171	29.1	0	0	0	111.4	Y250 F383 F384 L389 K390 R611	Y250-N387 PolarHBondContact OH-ND2 3.17Å; F383-N387 HydrophobicContact CD1-CB 4.28Å; F383-N387 HydrophobicContact CE1-CB 3.84Å; F383-N387 HydrophobicContact CZ-CB 4.08Å; F383-N387 WeakPolarHBondContact O-CB 3.39Å; F383-N387 PolarHBondContact O-N 3.1Å; F384-N387 PolarHBondContact O-N 3.2Å; N387-L389 PolarHBondContact O-N 3.11Å; N387-K390 WeakPolarHBondContact O-CG 3.49Å; N387-K390 PolarHBondContact O-N 3.07Å; N387-R611 PolarHBondContact O-NE 3.27Å; N387-R611 PolarHBondContact OD1-NE 2.98Å; N387-R611 PolarHBondContact OD1-NH2 3.02Å
388	F	98.7	Very high	96.8	Very high	2 Å²	2	24.1 Å²	24.1	1%	0.009	12%	0.12	C	C	.	.	G	3₁₀ helix	trans	-63.8	-17.6	-178.6	-179.2	-95.4	0	0	0	113.9	V296 T299 Q300 L335 F384 F386 K390 H391 I392	V296-F388 HydrophobicContact CG1-CE2 4.16Å; T299-F388 VanDerWaalsContact CB-CZ 3.49Å; T299-F388 HydrophobicContact CG2-CD1 4.02Å; T299-F388 HydrophobicContact CG2-CD2 4.26Å; T299-F388 HydrophobicContact CG2-CE1 3.5Å; T299-F388 VanDerWaalsContact CG2-CE1 3.5Å; T299-F388 HydrophobicContact CG2-CE2 3.8Å; T299-F388 HydrophobicContact CG2-CG 4.38Å; T299-F388 HydrophobicContact CG2-CZ 3.39Å; Q300-F388 HydrophobicContact CG-CE2 4.46Å; Q300-F388 HydrophobicContact CG-CZ 3.85Å; L335-F388 HydrophobicContact CD1-CD1 3.83Å; L335-F388 HydrophobicContact CD1-CE1 3.97Å; L335-F388 HydrophobicContact CD2-CD1 3.75Å; L335-F388 HydrophobicContact CD2-CE1 4.4Å; L335-F388 HydrophobicContact CG-CD1 4.48Å; F384-F388 HydrophobicContact CD1-CB 4.42Å; F384-F388 HydrophobicContact CE1-CB 4.18Å; F384-F388 HydrophobicContact CE1-CD2 4.07Å; F384-F388 HydrophobicContact CE1-CG 4.16Å; F384-F388 HydrophobicContact CE2-CB 4.49Å; F384-F388 HydrophobicContact CE2-CD2 4.03Å; F384-F388 HydrophobicContact CZ-CB 4.21Å; F384-F388 AromaticContact CZ-CD2 3.49Å; F384-F388 HydrophobicContact CZ-CD2 3.49Å; F384-F388 VanDerWaalsContact CZ-CD2 3.49Å; F384-F388 HydrophobicContact CZ-CE2 4.18Å; F384-F388 HydrophobicContact CZ-CG 4.03Å; F384-F388 WeakPolarHBondContact O-CB 3.17Å; F384-F388 PolarHBondContact O-N 3.03Å; F386-F388 VanDerWaalsContact C-N 3.25Å; F386-F388 PolarHBondContact O-N 3.39Å; F388-K390 PolarHBondContact O-N 2.87Å; F388-H391 HydrophobicContact CD2-CB 4.22Å; F388-H391 AromaticContact CD2-CD2 3.44Å; F388-H391 VanDerWaalsContact CD2-CD2 3.44Å; F388-H391 WeakPolarHBondContact CD2-CD2 3.42Å; F388-H391 HydrophobicContact CE2-CB 3.9Å; F388-H391 AromaticContact CE2-CD2 3.8Å; F388-H391 HydrophobicContact CZ-CB 4.09Å; F388-H391 WeakPolarHBondContact O-CB 3.36Å; F388-H391 PolarHBondContact O-N 2.75Å; F388-I392 HydrophobicContact CD1-CG2 4.31Å; F388-I392 HydrophobicContact CE1-CG2 3.51Å; F388-I392 HydrophobicContact CZ-CG2 4.06Å
389	L	98.7	Very high	96.2	Very high	1 Å²	1	24 Å²	24	1%	0.005	12%	0.119	C	C	.	.	G	3₁₀ helix	trans	-54.7	-29.9	178.7	-58.8	178	0	0	0	112.6	L335 L338 F386 N387 H391 I392 L607 V610 R611	L335-L389 HydrophobicContact CD2-CD2 3.9Å; L338-L389 HydrophobicContact CB-CD2 4.29Å; L338-L389 HydrophobicContact CD1-CD1 4.08Å; L338-L389 HydrophobicContact CD1-CD2 3.86Å; F386-L389 VanDerWaalsContact O-CG 3.27Å; F386-L389 WeakPolarHBondContact O-CG 3.49Å; F386-L389 PolarHBondContact O-N 3.47Å; N387-L389 PolarHBondContact O-N 3.11Å; L389-H391 PolarHBondContact O-N 2.79Å; L389-H391 VanDerWaalsContact O-N 3.07Å; L389-I392 HydrophobicContact CD2-CD1 4.04Å; L389-I392 WeakPolarHBondContact O-CG1 3.48Å; L389-I392 PolarHBondContact O-N 2.86Å; L389-L607 HydrophobicContact CD2-CD2 4.2Å; L389-V610 HydrophobicContact CD1-CB 4.12Å; L389-V610 HydrophobicContact CD1-CG1 3.59Å; L389-R611 HydrophobicContact CB-CB 4.39Å; L389-R611 HydrophobicContact CD1-CB 4.37Å
390	K	97.4	Very high	95.3	Very high	67 Å²	67	26.1 Å²	26.1	29%	0.291	13%	0.133	S	C	.	.	G	3₁₀ helix	trans	-53.4	-26.7	172.7	76.9	-176.9	-170.7	165.3	0	113.6	E258 N387 F388	E258-K390 IonicContact OE1-NZ 3.37Å; E258-K390 PolarHBondContact OE1-NZ 3.39Å; E258-K390 IonicContact OE2-NZ 2.66Å; N387-K390 WeakPolarHBondContact O-CG 3.49Å; N387-K390 PolarHBondContact O-N 3.07Å; F388-K390 PolarHBondContact O-N 2.87Å
391	H	98.1	Very high	93.7	Very high	32 Å²	32	34.9 Å²	34.9	15%	0.148	17%	0.166	C	C	.	.	G	3₁₀ helix	trans	-90.9	-6.9	-177.9	-60.5	-72.2	0	0	0	114.6	E258 V296 Q300 F388 L389 F397	E258-H391 IonicContact OE1-CE1 3.61Å; E258-H391 PolarHBondContact OE1-CE1 2.97Å; E258-H391 VanDerWaalsContact OE1-CE1 3.26Å; E258-H391 IonicContact OE1-NE2 3.97Å; V296-H391 HydrophobicContact CG1-CB 4.15Å; V296-H391 WeakPolarHBondContact CG1-ND1 3.44Å; Q300-H391 PolarHBondContact NE2-O 2.86Å; F388-H391 HydrophobicContact CD2-CB 4.22Å; F388-H391 AromaticContact CD2-CD2 3.44Å; F388-H391 VanDerWaalsContact CD2-CD2 3.44Å; F388-H391 WeakPolarHBondContact CD2-CD2 3.42Å; F388-H391 HydrophobicContact CE2-CB 3.9Å; F388-H391 AromaticContact CE2-CD2 3.8Å; F388-H391 HydrophobicContact CZ-CB 4.09Å; F388-H391 WeakPolarHBondContact O-CB 3.36Å; F388-H391 PolarHBondContact O-N 2.75Å; L389-H391 PolarHBondContact O-N 2.79Å; L389-H391 VanDerWaalsContact O-N 3.07Å; H391-F397 WeakPolarHBondContact O-CE2 3.45Å
392	I	97.7	Very high	91.7	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	19%	0.194	C	C	.	.	S	Bend	trans	-122.9	11.7	-174.2	63.1	162.1	0	0	0	114.3	L303 L335 F388 L389 S394 F397 R603 L607	L303-I392 HydrophobicContact CD2-CB 4.38Å; L303-I392 HydrophobicContact CD2-CD1 3.9Å; L303-I392 HydrophobicContact CD2-CG2 3.81Å; L335-I392 HydrophobicContact CD2-CD1 4.23Å; F388-I392 HydrophobicContact CD1-CG2 4.31Å; F388-I392 HydrophobicContact CE1-CG2 3.51Å; F388-I392 HydrophobicContact CZ-CG2 4.06Å; L389-I392 HydrophobicContact CD2-CD1 4.04Å; L389-I392 WeakPolarHBondContact O-CG1 3.48Å; L389-I392 PolarHBondContact O-N 2.86Å; I392-S394 VanDerWaalsContact C-N 3.26Å; I392-S394 PolarHBondContact O-N 3.15Å; I392-F397 HydrophobicContact CB-CB 4.18Å; I392-F397 HydrophobicContact CB-CD1 4.25Å; I392-F397 HydrophobicContact CB-CD2 3.97Å; I392-F397 HydrophobicContact CB-CE2 4.46Å; I392-F397 HydrophobicContact CB-CG 3.87Å; I392-F397 HydrophobicContact CG2-CD1 3.87Å; I392-F397 HydrophobicContact CG2-CD2 4.18Å; I392-F397 HydrophobicContact CG2-CE1 3.95Å; I392-F397 HydrophobicContact CG2-CE2 4.28Å; I392-F397 HydrophobicContact CG2-CG 3.99Å; I392-F397 HydrophobicContact CG2-CZ 4.18Å; I392-R603 PolarHBondContact O-NE 2.98Å; I392-R603 PolarHBondContact O-NH2 3.26Å; I392-L607 HydrophobicContact CG1-CD1 4.31Å
393	V	97.2	Very high	88.8	Confident	24 Å²	24	50.1 Å²	50.1	15%	0.145	24%	0.235	C	C	.	.			trans	-60	-30.3	176.6	-64.9	0	0	0	0	114	R603 Q604 L607 E608	V393-R603 WeakPolarHBondContact O-CD 3.44Å; V393-Q604 HydrophobicContact CB-CB 3.98Å; V393-Q604 HydrophobicContact CB-CG 3.93Å; V393-Q604 HydrophobicContact CG1-CB 4.47Å; V393-Q604 HydrophobicContact CG1-CG 4.13Å; V393-Q604 HydrophobicContact CG2-CG 4.46Å; V393-L607 HydrophobicContact CG1-CB 4.21Å; V393-E608 HydrophobicContact CG1-CG 4.24Å
394	S	94.8	Very high	85.9	Confident	47 Å²	47	61.3 Å²	61.3	33%	0.329	28%	0.277	S	S	.	.	S	Bend	trans	-72.8	150.4	-176	78.8	0	0	0	0	113.1	I392 K396 F397 R603	I392-S394 VanDerWaalsContact C-N 3.26Å; I392-S394 PolarHBondContact O-N 3.15Å; S394-K396 PolarHBondContact O-N 3.39Å; S394-F397 PolarHBondContact O-N 3.47Å; S394-R603 PolarHBondContact O-NE 3.06Å
395	E	93.2	Very high	82.9	Confident	81 Å²	81	72 Å²	72	38%	0.379	32%	0.317	S	S	.	.	G	3₁₀ helix	trans	-54.4	-15.9	176	-56.3	-81.7	138	0	0	114	F397 S398 K402	E395-F397 PolarHBondContact O-N 2.88Å; E395-F397 VanDerWaalsContact O-N 3.12Å; E395-S398 VanDerWaalsContact O-CB 3.3Å; E395-S398 WeakPolarHBondContact O-CB 3.35Å; E395-S398 PolarHBondContact O-N 3.03Å; E395-K402 VanDerWaalsContact CD-NZ 3.28Å; E395-K402 IonicContact OE1-NZ 3.36Å; E395-K402 PolarHBondContact OE1-NZ 2.73Å; E395-K402 VanDerWaalsContact OE1-NZ 3.1Å; E395-K402 IonicContact OE2-NZ 2.7Å; E395-K402 PolarHBondContact OE2-NZ 2.91Å
396	K	92	Very high	80	Confident	174 Å²	174	80.6 Å²	80.6	76%	0.757	35%	0.354	S	S	*	.	G	3₁₀ helix	trans	-61.7	-14.3	172.8	-60.1	-179.3	-178.7	177	0	114	S394	S394-K396 PolarHBondContact O-N 3.39Å
397	F	94.8	Very high	76.9	Confident	4 Å²	4	88.4 Å²	88.4	2%	0.018	40%	0.396	C	S	.	.	G	3₁₀ helix	trans	-113.1	9.4	176	-56.2	-86	0	0	0	112.3	Q300 L303 K304 L307 S339 H391 I392 S394 E395 R603	Q300-F397 HydrophobicContact CB-CE1 3.83Å; Q300-F397 HydrophobicContact CB-CZ 3.87Å; Q300-F397 HydrophobicContact CG-CE1 3.88Å; Q300-F397 HydrophobicContact CG-CZ 3.56Å; L303-F397 HydrophobicContact CD2-CD1 4.14Å; K304-F397 HydrophobicContact CD-CE1 4.19Å; K304-F397 VanDerWaalsContact CE-CE1 3.43Å; K304-F397 HydrophobicContact CG-CD1 4.01Å; K304-F397 HydrophobicContact CG-CE1 3.74Å; L307-F397 HydrophobicContact CD1-CB 4.29Å; L307-F397 VanDerWaalsContact CD1-O 3.28Å; L307-F397 WeakPolarHBondContact CD1-O 3.33Å; S339-F397 PolarHBondContact OG-O 3.12Å; H391-F397 WeakPolarHBondContact O-CE2 3.45Å; I392-F397 HydrophobicContact CB-CB 4.18Å; I392-F397 HydrophobicContact CB-CD1 4.25Å; I392-F397 HydrophobicContact CB-CD2 3.97Å; I392-F397 HydrophobicContact CB-CE2 4.46Å; I392-F397 HydrophobicContact CB-CG 3.87Å; I392-F397 HydrophobicContact CG2-CD1 3.87Å; I392-F397 HydrophobicContact CG2-CD2 4.18Å; I392-F397 HydrophobicContact CG2-CE1 3.95Å; I392-F397 HydrophobicContact CG2-CE2 4.28Å; I392-F397 HydrophobicContact CG2-CG 3.99Å; I392-F397 HydrophobicContact CG2-CZ 4.18Å; S394-F397 PolarHBondContact O-N 3.47Å; E395-F397 PolarHBondContact O-N 2.88Å; E395-F397 VanDerWaalsContact O-N 3.12Å; F397-R603 PolarHBondContact O-NH1 3.06Å; F397-R603 PolarHBondContact O-NH2 2.86Å
398	S	92.9	Very high	73.9	Confident	24 Å²	24	92 Å²	92	17%	0.168	42%	0.423	C	S	.	.			trans	-74.7	132.8	173.2	-167.4	0	0	0	0	110.2	D343 E395 V400	D343-S398 WeakPolarHBondContact OD1-CA 3.35Å; D343-S398 VanDerWaalsContact OD1-CB 3.27Å; D343-S398 WeakPolarHBondContact OD1-CB 3.47Å; D343-S398 PolarHBondContact OD1-OG 2.94Å; D343-S398 VanDerWaalsContact OD2-CA 3.27Å; D343-S398 WeakPolarHBondContact OD2-CA 3.38Å; D343-S398 PolarHBondContact OD2-OG 2.85Å; E395-S398 VanDerWaalsContact O-CB 3.3Å; E395-S398 WeakPolarHBondContact O-CB 3.35Å; E395-S398 PolarHBondContact O-N 3.03Å; S398-V400 PolarHBondContact OG-N 2.76Å
399	A	82.7	Confident	70.9	Confident	5 Å²	5	101 Å²	101	4%	0.041	46%	0.464	C	S	.	.	S	Bend	trans	-73.4	-36.4	167.7	0	0	0	0	0	111.2	Y128 L307 N311 L340 D343 R401	Y128-A399 HydrophobicContact CE1-CB 4.47Å; L307-A399 HydrophobicContact CD2-CB 4.42Å; N311-A399 WeakPolarHBondContact ND2-CB 3.25Å; L340-A399 HydrophobicContact CD2-CB 3.47Å; L340-A399 VanDerWaalsContact CD2-CB 3.47Å; D343-A399 PolarHBondContact OD2-N 3.15Å; A399-R401 PolarHBondContact O-N 2.94Å
400	V	77.9	Confident	67.5	Low	62 Å²	62	109.7 Å²	109.7	38%	0.376	50%	0.502	S	S	.	.	S	Bend	trans	-76	99.9	-174.9	180	0	0	0	0	109.9	D343 A345 S398 K402	D343-V400 HydrophobicContact CB-CB 4.36Å; D343-V400 HydrophobicContact CB-CG2 3.79Å; A345-V400 HydrophobicContact CB-CG2 3.91Å; S398-V400 PolarHBondContact OG-N 2.76Å; V400-K402 VanDerWaalsContact C-N 3.26Å; V400-K402 PolarHBondContact O-N 3.18Å
401	R	63.1	Low	64.5	Low	189 Å²	189	115.5 Å²	115.5	71%	0.713	53%	0.528	S	S	*	.			trans	-64.8	83.9	169.5	-71.2	-176.6	176.6	170.5	1.9	110.6	A399 Q403	A399-R401 PolarHBondContact O-N 2.94Å; R401-Q403 PolarHBondContact O-N 2.96Å
402	K	54.6	Low	61.8	Low	137 Å²	137	123.4 Å²	123.4	60%	0.596	56%	0.564	S	S	*	*			trans	-49.6	110.6	161.7	-70.3	169.1	-174.2	159	0	107.4	E395 V400 R404	E395-K402 VanDerWaalsContact CD-NZ 3.28Å; E395-K402 IonicContact OE1-NZ 3.36Å; E395-K402 PolarHBondContact OE1-NZ 2.73Å; E395-K402 VanDerWaalsContact OE1-NZ 3.1Å; E395-K402 IonicContact OE2-NZ 2.7Å; E395-K402 PolarHBondContact OE2-NZ 2.91Å; V400-K402 VanDerWaalsContact C-N 3.26Å; V400-K402 PolarHBondContact O-N 3.18Å; K402-R404 PolarHBondContact O-N 3.4Å
403	Q	37.9	Very low	58.7	Low	184 Å²	184	128 Å²	128	86%	0.86	60%	0.597	S	S	*	*			trans	-59.9	109.2	177.6	-80.6	-163.5	4.5	0	0	108.2	R401 R405	R401-Q403 PolarHBondContact O-N 2.96Å; Q403-R405 PolarHBondContact O-N 3Å
404	R	37.3	Very low	55.7	Low	240 Å²	240	134.1 Å²	134.1	91%	0.906	63%	0.629	S	S	*	*			trans	-67	88.3	172	-176.5	179.5	-178.1	176.1	1.3	107.4	K402 K406	K402-R404 PolarHBondContact O-N 3.4Å; R404-K406 PolarHBondContact O-N 3.4Å
405	R	37	Very low	52.6	Low	226 Å²	226	139.5 Å²	139.5	85%	0.853	65%	0.647	S	S	*	*			trans	-46.9	106.9	173.8	-80.9	-174.9	171.5	178.7	-3.1	107.7	Q403 N407	Q403-R405 PolarHBondContact O-N 3Å; R405-N407 PolarHBondContact O-N 2.88Å
406	K	36.8	Very low	50.8	Low	180 Å²	180	140.5 Å²	140.5	78%	0.783	66%	0.658	S	S	*	*			trans	-67.3	125.6	168.4	-106.2	179.6	172.6	179	0	105.6	R404 S408	R404-K406 PolarHBondContact O-N 3.4Å; K406-S408 PolarHBondContact O-N 3.25Å
407	N	33.9	Very low	48.4	Very low	164 Å²	164	137.5 Å²	137.5	88%	0.877	65%	0.654	S	S	*	*			trans	-72.7	67.2	164.3	-74.5	8.5	0	0	0	109.1	R405	R405-N407 PolarHBondContact O-N 2.88Å
408	S	34.9	Very low	45.9	Very low	89 Å²	89	144 Å²	144	62%	0.622	69%	0.685	S	S	*	*	P	Polyproline II helix	trans	-79	131.2	155.3	44.4	0	0	0	0	107.5	K406 F410	K406-S408 PolarHBondContact O-N 3.25Å; S408-F410 PolarHBondContact O-N 3.03Å
409	H	36.3	Very low	43.4	Very low	191 Å²	191	147 Å²	147	88%	0.884	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-47	121.5	-174.3	-72	-97	0	0	0	112.7	K411	H409-K411 PolarHBondContact O-N 3.37Å
410	F	27	Very low	41.5	Very low	183 Å²	183	152.5 Å²	152.5	80%	0.803	73%	0.727	S	S	*	*	P	Polyproline II helix	trans	-61.8	124.3	161.4	-110.3	-102.5	0	0	0	108.3	S408 F415	S408-F410 PolarHBondContact O-N 3.03Å; F410-F415 HydrophobicContact CE1-CE2 4.37Å
411	K	35.5	Very low	39.6	Very low	190 Å²	190	154.1 Å²	154.1	83%	0.826	74%	0.74	S	S	*	*			trans	-104.9	139.7	152.5	-84.7	-170	168.4	-170.2	0	106.9	H409 S413	H409-K411 PolarHBondContact O-N 3.37Å; K411-S413 PolarHBondContact O-N 3.44Å
412	E	39.6	Very low	38.4	Very low	197 Å²	197	152.6 Å²	152.6	92%	0.921	74%	0.741	S	S	*	*			trans	-74	115.8	178.6	-68.3	169.2	107	0	0	111.1
413	S	33.7	Very low	37.7	Very low	98 Å²	98	153.1 Å²	153.1	69%	0.685	75%	0.749	S	S	*	*			trans	-165.4	137.1	150.6	53.5	0	0	0	0	109	K411	K411-S413 PolarHBondContact O-N 3.44Å
414	D	33.6	Very low	37.6	Very low	152 Å²	152	155 Å²	155	81%	0.813	75%	0.749	S	S	*	*			trans	64	72.3	162.2	-50.6	-20.1	0	0	0	118
415	F	29.8	Very low	37.4	Very low	160 Å²	160	148.8 Å²	148.8	70%	0.702	74%	0.742	S	S	*	*			trans	-82.1	124.5	150	-109.6	-80.1	0	0	0	109.5	F410 D419	F410-F415 HydrophobicContact CE1-CE2 4.37Å; F415-D419 HydrophobicContact CD1-CB 4.29Å; F415-D419 HydrophobicContact CE1-CB 4.11Å
416	T	55.9	Low	37.5	Very low	101 Å²	101	148.8 Å²	148.8	62%	0.62	74%	0.742	S	S	*	*			trans	-92.9	159	170.7	53	0	0	0	0	111.5	E418	T416-E418 VanDerWaalsContact C-N 3.34Å; T416-E418 PolarHBondContact O-N 3.08Å
417	V	41.8	Very low	37.2	Very low	112 Å²	112	147.3 Å²	147.3	68%	0.679	74%	0.743	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.1	-28.4	-168	-177.9	0	0	0	0	113	D419 L420	V417-D419 VanDerWaalsContact C-N 3.28Å; V417-D419 PolarHBondContact O-N 3.16Å; V417-L420 WeakPolarHBondContact O-CB 3.26Å; V417-L420 PolarHBondContact O-N 2.9Å; V417-L420 VanDerWaalsContact O-N 3.11Å
418	E	41.3	Very low	37.5	Very low	139 Å²	139	151.9 Å²	151.9	65%	0.65	75%	0.747	S	S	*	*	H	α-helix	trans	-50.4	-38.7	177.6	-100.7	54.1	-137.8	0	0	115	T416 L420 C421	T416-E418 VanDerWaalsContact C-N 3.34Å; T416-E418 PolarHBondContact O-N 3.08Å; E418-L420 PolarHBondContact O-N 3.08Å; E418-C421 PolarHBondContact O-N 2.89Å
419	D	41.3	Very low	37.2	Very low	88 Å²	88	150.9 Å²	150.9	47%	0.471	75%	0.752	S	S	.	*	H	α-helix	trans	-65.8	-25.2	-177.6	-101.4	12.5	0	0	0	112.7	F415 V417 C421	F415-D419 HydrophobicContact CD1-CB 4.29Å; F415-D419 HydrophobicContact CE1-CB 4.11Å; V417-D419 VanDerWaalsContact C-N 3.28Å; V417-D419 PolarHBondContact O-N 3.16Å; D419-C421 VanDerWaalsContact C-N 3.34Å
420	L	42.3	Very low	36.9	Very low	121 Å²	121	147.5 Å²	147.5	63%	0.634	75%	0.749	S	S	*	*	H	α-helix	trans	-76	-23.7	-179.7	-164.9	65.1	0	0	0	112.6	V417 E418	V417-L420 WeakPolarHBondContact O-CB 3.26Å; V417-L420 PolarHBondContact O-N 2.9Å; V417-L420 VanDerWaalsContact O-N 3.11Å; E418-L420 PolarHBondContact O-N 3.08Å
421	C	38.4	Very low	37.6	Very low	95 Å²	95	146.8 Å²	146.8	64%	0.642	75%	0.752	S	S	*	*	H	α-helix	trans	-74.7	-30.9	-179.3	-73.2	0	0	0	0	112.9	E418 D419 L423	E418-C421 PolarHBondContact O-N 2.89Å; D419-C421 VanDerWaalsContact C-N 3.34Å; C421-L423 PolarHBondContact O-N 3.16Å
422	Q	38.2	Very low	37.5	Very low	157 Å²	157	143.6 Å²	143.6	73%	0.734	75%	0.749	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.6	-10.9	-178.8	-59	-170.3	35.7	0	0	113.6
423	L	38.6	Very low	37.1	Very low	148 Å²	148	139.2 Å²	139.2	78%	0.775	74%	0.74	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.3	8.4	-178.2	-79.7	163.9	0	0	0	114.5	C421	C421-L423 PolarHBondContact O-N 3.16Å
424	R	35.3	Very low	37	Very low	224 Å²	224	142.6 Å²	142.6	85%	0.845	75%	0.749	S	S	*	*			trans	-120.8	53.7	-178.2	-83	-164.2	170.1	-161.1	1.4	114.6
425	S	34.8	Very low	36.7	Very low	109 Å²	109	140 Å²	140	76%	0.762	74%	0.743	S	S	*	*	S	Bend	trans	-140.5	17.7	174.3	57.3	0	0	0	0	115.8
426	R	39	Very low	36.7	Very low	227 Å²	227	138 Å²	138	86%	0.857	75%	0.749	S	S	*	*	S	Bend	trans	-144.4	158	166.7	-138.5	163.2	175.4	150.8	-1.7	112.2
427	D	30	Very low	35.8	Very low	149 Å²	149	140.2 Å²	140.2	80%	0.797	76%	0.757	S	S	*	*			trans	57.6	88.2	176	-60.2	-6.5	0	0	0	118.5
428	R	40.6	Very low	35	Very low	259 Å²	259	144.2 Å²	144.2	98%	0.977	77%	0.765	S	S	*	*			trans	-84.1	118	142.9	-83.9	179.3	164.8	171.9	-4.1	108.3
429	G	28.3	Very low	34.3	Very low	69 Å²	69	141.7 Å²	141.7	71%	0.711	76%	0.764	S	S	*	*			trans	170.3	50	172.3	0	0	0	0	0	121.3
430	S	30.5	Very low	33.9	Very low	119 Å²	119	145.8 Å²	145.8	83%	0.832	79%	0.785	S	S	*	*			trans	-169	144.2	145	-88.2	0	0	0	0	112.4
431	I	41.4	Very low	33.3	Very low	169 Å²	169	147.5 Å²	147.5	87%	0.867	79%	0.792	S	S	*	*			trans	-137.6	97.5	178.2	32.8	167.8	0	0	0	110.5
432	T	32.7	Very low	32.8	Very low	122 Å²	122	148 Å²	148	75%	0.748	79%	0.793	S	S	*	*			trans	-154.9	122.9	164	35.7	0	0	0	0	109.5
433	S	31.8	Very low	32.4	Very low	105 Å²	105	148.5 Å²	148.5	73%	0.734	80%	0.795	S	S	*	*				44.9	131.5	120.8	-39.6	0	0	0	0	118.9
434	L	31.2	Very low	31.8	Very low	170 Å²	170	149.5 Å²	149.5	89%	0.89	80%	0.796	S	S	*	*			cis	-143.5	162.5	19.6	-76.9	173.5	0	0	0	113.8
435	S	28	Very low	31.6	Very low	98 Å²	98	145.5 Å²	145.5	69%	0.685	79%	0.79	S	S	*	*			trans	-68	151	162.5	155.3	0	0	0	0	112.7
436	S	30	Very low	31.2	Very low	117 Å²	117	145 Å²	145	82%	0.818	79%	0.793	S	S	*	*			trans	-162.1	113.8	142.8	59.4	0	0	0	0	111.5
437	D	35.5	Very low	30.6	Very low	148 Å²	148	137.9 Å²	137.9	79%	0.791	79%	0.791	S	S	*	*			trans	-82	150.6	168.8	-48.9	-84.8	0	0	0	111.4
438	F	25.5	Very low	30.6	Very low	195 Å²	195	135.4 Å²	135.4	86%	0.855	79%	0.79	S	S	*	*				-166.3	121.2	127.2	-149.7	-115.7	0	0	0	115.9
439	S	27.2	Very low	30	Very low	87 Å²	87	128.5 Å²	128.5	61%	0.608	78%	0.782	S	S	*	*			trans	34.2	142.8	141.9	-45.4	0	0	0	0	125.5
440	L	32.6	Very low	30	Very low	174 Å²	174	131 Å²	131	91%	0.911	79%	0.788	S	S	*	*			trans	-83.9	143.7	165.6	-61.4	155.9	0	0	0	112.8
441	I	29.3	Very low	30.5	Very low	156 Å²	156	131.3 Å²	131.3	80%	0.8	79%	0.787	S	S	*	*			trans	-156.7	133	158.5	-78.5	-165.1	0	0	0	105.9
442	T	29.5	Very low	29.8	Very low	106 Å²	106	130.7 Å²	130.7	65%	0.65	79%	0.785	S	S	*	*			cis	-140.1	-139.4	-13.2	20.9	0	0	0	0	106.8
443	E	28.3	Very low	29.7	Very low	168 Å²	168	129.2 Å²	129.2	79%	0.785	79%	0.785	S	S	*	*			cis	-159.3	-159.1	0.3	-152.9	140.1	-77.9	0	0	110.7
444	E	27.4	Very low	29.7	Very low	168 Å²	168	131.6 Å²	131.6	79%	0.785	79%	0.789	S	S	*	*			trans	-109.6	-176.6	-171.2	-53.4	-174.9	98.8	0	0	112.8
445	L	29.2	Very low	30.6	Very low	140 Å²	140	128.4 Å²	128.4	73%	0.733	78%	0.779	S	S	*	*			cis	-160.1	159.8	15	-168.5	64.7	0	0	0	112.9
446	A	27	Very low	30.9	Very low	99 Å²	99	129.4 Å²	129.4	82%	0.818	78%	0.781	S	S	*	*			trans	72.5	140.2	158.1	0	0	0	0	0	120.3
447	G	27.6	Very low	31	Very low	78 Å²	78	130 Å²	130	80%	0.804	78%	0.775	S	S	*	*			trans	-175.6	-33	177.7	0	0	0	0	0	118.2
448	A	28.8	Very low	30.7	Very low	96 Å²	96	130.1 Å²	130.1	79%	0.793	78%	0.775	S	S	*	*			trans	68.1	152	168.2	0	0	0	0	0	121.7
449	S	28.3	Very low	31.1	Very low	114 Å²	114	129.3 Å²	129.3	80%	0.797	77%	0.771	S	S	*	*			trans	67	114.5	157.9	47.4	0	0	0	0	122.9
450	C	28.2	Very low	31.1	Very low	123 Å²	123	130.8 Å²	130.8	83%	0.831	78%	0.781	S	S	*	*			trans	-98.6	178.1	142.9	-41.2	0	0	0	0	108.2
451	P	41.8	Very low	30.9	Very low	125 Å²	125	126.2 Å²	126.2	81%	0.812	78%	0.776	S	S	*	*			cis	-146.5	-150	46.1	42.8	-19.1	0	0	0	115.9
452	N	27.1	Very low	31.1	Very low	156 Å²	156	126.5 Å²	126.5	83%	0.834	77%	0.774	S	S	*	*			trans	-97.1	174.5	-158.1	-52.8	-38	0	0	0	117.2
453	A	28.7	Very low	31.9	Very low	91 Å²	91	126.7 Å²	126.7	75%	0.752	78%	0.777	S	S	*	*			trans	79.1	158.9	155.6	0	0	0	0	0	117.1
454	D	33.5	Very low	32.1	Very low	154 Å²	154	126.4 Å²	126.4	82%	0.824	78%	0.776	S	S	*	*			cis	-148.6	-155.6	15.1	-140.8	4.9	0	0	0	112.2
455	P	49.6	Very low	32.3	Very low	103 Å²	103	123.3 Å²	123.3	67%	0.669	78%	0.778	S	S	*	*			trans	-133.2	-156.2	-139	40.5	-16.3	0	0	0	117.6
456	V	34.9	Very low	32.3	Very low	120 Å²	120	122.9 Å²	122.9	73%	0.727	79%	0.787	S	S	*	*			trans	116.9	127.1	154.7	-174.1	0	0	0	0	119.1
457	D	31	Very low	32.5	Very low	128 Å²	128	124.1 Å²	124.1	68%	0.684	79%	0.79	S	S	*	*			trans	-8.8	159.6	159.7	-61	-49.3	0	0	0	122.1
458	L	29.9	Very low	32.4	Very low	152 Å²	152	124.1 Å²	124.1	80%	0.796	79%	0.79	S	S	*	*			cis	-153.2	154.1	47.2	-94.6	93.6	0	0	0	116.7
459	F	32.3	Very low	32.8	Very low	178 Å²	178	131 Å²	131	78%	0.781	80%	0.795	S	S	*	*			trans	5.5	154.6	141.4	-64.5	-84	0	0	0	121.6
460	S	29	Very low	32.9	Very low	117 Å²	117	137.7 Å²	137.7	82%	0.818	80%	0.803	S	S	*	*			cis	-168.4	176.3	-2.2	51.3	0	0	0	0	108.9
461	G	27.7	Very low	32.9	Very low	78 Å²	78	136.1 Å²	136.1	80%	0.804	80%	0.799	S	S	*	*			cis	-177.2	171.1	-0.3	0	0	0	0	0	112.5
462	H	33.9	Very low	33.2	Very low	163 Å²	163	135.9 Å²	135.9	76%	0.755	80%	0.797	S	S	*	*			trans	-106.9	164.3	179	-170.3	45	0	0	0	110.3	Q464	H462-Q464 PolarHBondContact CE1-N 3.42Å; H462-Q464 PolarHBondContact NE2-N 3.02Å; H462-Q464 VanDerWaalsContact NE2-N 3.17Å
463	P	45.8	Very low	33.2	Very low	109 Å²	109	132.6 Å²	132.6	71%	0.708	79%	0.792	S	S	*	*				-158.1	146.1	96.3	39.2	-18.8	0	0	0	119.4
464	Q	31.3	Very low	33.2	Very low	163 Å²	163	134 Å²	134	76%	0.762	80%	0.797	S	S	*	*			trans	37.6	121.7	130.3	-61.8	-177.4	-28.8	0	0	124.2	H462	H462-Q464 PolarHBondContact CE1-N 3.42Å; H462-Q464 PolarHBondContact NE2-N 3.02Å; H462-Q464 VanDerWaalsContact NE2-N 3.17Å
465	A	32.7	Very low	33.1	Very low	102 Å²	102	132.2 Å²	132.2	84%	0.843	80%	0.796	S	S	*	*				22.9	138.4	128	0	0	0	0	0	123.9
466	S	29.2	Very low	32.9	Very low	131 Å²	131	132.9 Å²	132.9	92%	0.916	80%	0.8	S	S	*	*			trans	-156.5	-179.3	146	63	0	0	0	0	112.3
467	S	30.4	Very low	33.6	Very low	126 Å²	126	132.7 Å²	132.7	88%	0.881	80%	0.801	S	S	*	*			trans	-115.3	152.6	-165.1	179.8	0	0	0	0	113.8
468	G	26.4	Very low	33.5	Very low	78 Å²	78	135.1 Å²	135.1	80%	0.804	81%	0.811	S	S	*	*			trans	-175.3	129.8	170.7	0	0	0	0	0	115.4
469	R	36.9	Very low	33.4	Very low	239 Å²	239	134.9 Å²	134.9	90%	0.902	82%	0.815	S	S	*	*			trans	-104.2	135.9	169.2	-66	-179.9	178.3	-176.9	-0.5	110.4
470	R	29.6	Very low	33.1	Very low	255 Å²	255	131.9 Å²	131.9	96%	0.962	82%	0.816	S	S	*	*			trans	173.5	152.4	131.3	-96.5	162.9	-171.9	-171.4	3.4	112.7
471	A	28.9	Very low	32.7	Very low	90 Å²	90	137.9 Å²	137.9	74%	0.744	82%	0.821	S	S	*	*			trans	-104.9	-176.8	165.7	0	0	0	0	0	108.3
472	P	48.3	Very low	32.6	Very low	120 Å²	120	140 Å²	140	78%	0.779	82%	0.822	S	S	*	*			cis	-143.2	-173.8	9.7	44.2	-24.9	0	0	0	117.5
473	A	26.8	Very low	32.3	Very low	88 Å²	88	139.9 Å²	139.9	73%	0.727	82%	0.82	S	S	*	*			trans	68.4	115.4	148.4	0	0	0	0	0	121.5
474	S	28.9	Very low	31.4	Very low	121 Å²	121	141.9 Å²	141.9	85%	0.846	82%	0.819	S	S	*	*				173.3	151.7	100.3	43.3	0	0	0	0	113.6
475	S	30.8	Very low	31.2	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	82%	0.822	S	S	*	*			trans	-107.9	-170.8	170	-44.3	0	0	0	0	108.5
476	P	45.9	Very low	32	Very low	117 Å²	117	141.6 Å²	141.6	76%	0.76	82%	0.815	S	S	*	*			cis	-140.6	-141.8	7.3	46.7	-24.9	0	0	0	111.4
477	P	49.7	Very low	31.9	Very low	116 Å²	116	142.3 Å²	142.3	75%	0.753	81%	0.808	S	S	*	*			cis	-126.7	-175.2	-26.8	37	-18.7	0	0	0	114.7
478	M	29.9	Very low	31.8	Very low	180 Å²	180	142.7 Å²	142.7	89%	0.887	80%	0.8	S	S	*	*			trans	-84.7	172.9	171.2	-61	172.1	-76.9	0	0	113.4
479	V	26.7	Very low	31.9	Very low	146 Å²	146	147.2 Å²	147.2	89%	0.885	80%	0.8	S	S	*	*			trans	-128.9	138.2	156.1	173.8	0	0	0	0	110
480	S	26	Very low	31.4	Very low	115 Å²	115	141.4 Å²	141.4	80%	0.804	79%	0.791	S	S	*	*			trans	-115.1	170.5	171.5	58.7	0	0	0	0	110.6
481	W	21.8	Very low	31.3	Very low	244 Å²	244	136.8 Å²	136.8	92%	0.924	79%	0.785	S	S	*	*			trans	-122	118.2	-174	-156.8	-52.2	0	0	0	112.7
482	C	25.4	Very low	31.2	Very low	121 Å²	121	137.4 Å²	137.4	82%	0.818	78%	0.784	S	S	*	*			trans	-159.3	145.9	161.8	-165.9	0	0	0	0	111.2
483	K	27.6	Very low	30.3	Very low	162 Å²	162	140.8 Å²	140.8	70%	0.704	79%	0.789	S	S	*	*			trans	-160.8	150.1	178.5	-79.8	-170.8	155.6	-141.3	0	108.5
484	Q	25.2	Very low	31	Very low	150 Å²	150	142.6 Å²	142.6	70%	0.701	79%	0.793	S	S	*	*			cis	-159.7	154.3	-8.4	-117.7	174.8	-74.6	0	0	109.9
485	N	28.7	Very low	31.1	Very low	153 Å²	153	141.2 Å²	141.2	82%	0.818	79%	0.789	S	S	*	*			trans	-90.8	-173.9	164.6	-84.5	7.4	0	0	0	109.8
486	P	48.8	Very low	30.9	Very low	107 Å²	107	143.5 Å²	143.5	70%	0.695	79%	0.793	S	S	*	*			cis	-144.8	-178	13.2	37.2	-13.6	0	0	0	118.1
487	L	27.6	Very low	30.2	Very low	145 Å²	145	146.7 Å²	146.7	76%	0.759	80%	0.797	S	S	*	*				169.3	126.5	116.8	-87.3	168	0	0	0	115.4
488	D	28.8	Very low	29.3	Very low	134 Å²	134	145 Å²	145	72%	0.717	79%	0.793	S	S	*	*			trans	56.2	129.4	136	-61.2	1.3	0	0	0	128.1
489	E	27.9	Very low	29.3	Very low	174 Å²	174	145.5 Å²	145.5	81%	0.813	79%	0.79	S	S	*	*			trans	82.7	146.3	134.4	-75.9	-159.1	117.8	0	0	127.3
490	T	27	Very low	29.5	Very low	117 Å²	117	143.4 Å²	143.4	72%	0.718	78%	0.783	S	S	*	*			trans	76.4	96.7	156.3	39.6	0	0	0	0	123.8
491	L	26.7	Very low	29.7	Very low	157 Å²	157	143.3 Å²	143.3	82%	0.822	78%	0.782	S	S	*	*				58.8	119.8	116.1	-102.4	163.5	0	0	0	122.5
492	S	25.9	Very low	30	Very low	104 Å²	104	137.3 Å²	137.3	73%	0.727	78%	0.777	S	S	*	*				138.9	123.9	124.2	-59.9	0	0	0	0	116.1
493	H	30.3	Very low	30.3	Very low	190 Å²	190	136.9 Å²	136.9	88%	0.88	78%	0.775	S	S	*	*			trans	-95.1	156.7	149.2	-70.3	-71.3	0	0	0	108.4
494	P	41	Very low	30.5	Very low	126 Å²	126	134.3 Å²	134.3	82%	0.818	78%	0.778	S	S	*	*				-143.4	172	88.6	38.1	-22.3	0	0	0	114.6
495	A	31.2	Very low	30.9	Very low	93 Å²	93	132.5 Å²	132.5	77%	0.769	78%	0.782	S	S	*	*			trans	-96.7	166.2	168.8	0	0	0	0	0	111.4
496	N	27.4	Very low	31.2	Very low	163 Å²	163	129.8 Å²	129.8	87%	0.872	78%	0.775	S	S	*	*			trans	-157.9	165.4	150.7	-127.6	-22.4	0	0	0	113.2
497	E	31.6	Very low	30.3	Very low	183 Å²	183	130.3 Å²	130.3	86%	0.855	77%	0.772	S	S	*	*			trans	-98.8	175.8	-168.7	-53.9	-177.4	118	0	0	115.2
498	A	28.9	Very low	30.6	Very low	82 Å²	82	131.7 Å²	131.7	68%	0.678	77%	0.774	S	S	*	*			trans	108	117.8	130.6	0	0	0	0	0	121.7
499	K	31.4	Very low	31	Very low	189 Å²	189	129.9 Å²	129.9	82%	0.822	77%	0.772	S	S	*	*				71.3	103.9	128.2	-66.5	172.5	-176.3	166.9	0	121.9
500	S	29.9	Very low	31.2	Very low	103 Å²	103	127.8 Å²	127.8	72%	0.72	77%	0.766	S	S	*	*				75.7	144.9	113.6	-53.4	0	0	0	0	122.6
501	S	29.9	Very low	31.6	Very low	112 Å²	112	131.1 Å²	131.1	78%	0.783	77%	0.773	S	S	*	*			trans	73.5	154.7	159.4	6.8	0	0	0	0	116.9
502	S	28.5	Very low	31.8	Very low	119 Å²	119	126.8 Å²	126.8	83%	0.832	77%	0.767	S	S	*	*			cis	-153.7	169.5	1.5	35	0	0	0	0	113.1
503	S	31.1	Very low	32.1	Very low	111 Å²	111	128.5 Å²	128.5	78%	0.776	77%	0.772	S	S	*	*			trans	-93	158.6	-174.8	53.1	0	0	0	0	116.1
504	S	32.2	Very low	32.2	Very low	108 Å²	108	125.1 Å²	125.1	76%	0.755	77%	0.765	S	S	*	*			trans	-170.3	126.8	145.7	-87.6	0	0	0	0	109.7
505	S	33.4	Very low	31.7	Very low	112 Å²	112	130 Å²	130	78%	0.783	77%	0.768	S	S	*	*				77.7	146.6	70.2	89.5	0	0	0	0	112.9
506	S	35.1	Very low	31.5	Very low	96 Å²	96	131.2 Å²	131.2	67%	0.671	77%	0.77	S	S	*	*			cis	-143.9	-165.4	2.6	54.5	0	0	0	0	108.8
507	N	30	Very low	31.5	Very low	119 Å²	119	127.4 Å²	127.4	64%	0.636	77%	0.769	S	S	*	*			cis	-153.3	148.4	18.1	-106.1	-27.2	0	0	0	108.5
508	Q	34.1	Very low	31.4	Very low	174 Å²	174	124.4 Å²	124.4	81%	0.813	77%	0.769	S	S	*	*				62.1	133.2	85.2	-61.6	-166.4	85.1	0	0	116.7
509	S	38	Very low	31.6	Very low	95 Å²	95	126 Å²	126	66%	0.664	78%	0.775	S	S	*	*			cis	-145.9	-157.5	-4.3	56.2	0	0	0	0	109.8
510	D	31.8	Very low	32.6	Very low	130 Å²	130	122.6 Å²	122.6	70%	0.695	77%	0.772	S	S	*	*			cis	-159.7	-161.7	12.5	-139.8	-65.6	0	0	0	113
511	H	35.5	Very low	32.5	Very low	188 Å²	188	126.2 Å²	126.2	87%	0.87	78%	0.782	S	S	*	*			trans	-131.7	157.9	-162.3	-63.1	-85.6	0	0	0	119
512	G	30.7	Very low	32.6	Very low	66 Å²	66	125.6 Å²	125.6	68%	0.68	78%	0.784	S	S	*	*			trans	145.2	108.4	156.8	0	0	0	0	0	115.6
513	V	33	Very low	33.1	Very low	139 Å²	139	125.9 Å²	125.9	84%	0.842	78%	0.78	S	S	*	*				80.4	123.2	69.4	168.8	0	0	0	0	112.3
514	T	30.9	Very low	33	Very low	120 Å²	120	126.5 Å²	126.5	74%	0.736	78%	0.782	S	S	*	*			cis	-156.9	163.1	22.4	-15.8	0	0	0	0	115.4
515	R	32	Very low	32.8	Very low	229 Å²	229	127.5 Å²	127.5	86%	0.864	78%	0.784	S	S	*	*			trans	27.5	132.8	147.8	-83.2	-179.6	174.3	-167.6	-0.7	122.8
516	S	27	Very low	33.1	Very low	118 Å²	118	133.5 Å²	133.5	83%	0.825	79%	0.789	S	S	*	*				166.1	134.3	103	-72.4	0	0	0	0	116.7
517	G	26.2	Very low	32.7	Very low	82 Å²	82	132.5 Å²	132.5	85%	0.845	79%	0.793	S	S	*	*			trans	70.7	157.8	157.3	0	0	0	0	0	118.7
518	S	29.9	Very low	33	Very low	121 Å²	121	135.2 Å²	135.2	85%	0.846	81%	0.807	S	S	*	*			cis	-155.4	169.8	-12.8	56.9	0	0	0	0	110.5
519	S	33.5	Very low	32.7	Very low	116 Å²	116	131.7 Å²	131.7	81%	0.811	81%	0.808	S	S	*	*			trans	-106.3	-151.9	-163.2	-47.7	0	0	0	0	114.8
520	P	51.1	Low	32.2	Very low	117 Å²	117	131.4 Å²	131.4	76%	0.76	81%	0.811	S	S	*	*				-121.7	-165.1	-125.5	39.1	-17.8	0	0	0	114.7
521	L	29.1	Very low	32	Very low	179 Å²	179	133 Å²	133	94%	0.937	82%	0.815	S	S	*	*			trans	-123.6	157.9	164.4	-75.3	175.7	0	0	0	111.7
522	A	31	Very low	31.5	Very low	99 Å²	99	133.4 Å²	133.4	82%	0.818	81%	0.81	S	S	*	*			trans	-127.5	166.6	-150.8	0	0	0	0	0	115.9
523	V	39	Very low	31.3	Very low	124 Å²	124	134.8 Å²	134.8	75%	0.752	81%	0.809	S	S	*	*			trans	-82.8	140.5	177.6	-176.3	0	0	0	0	111.4
524	P	29.9	Very low	31	Very low	124 Å²	124	139.9 Å²	139.9	81%	0.805	81%	0.813	S	S	*	*			trans	-90.1	121.3	167.5	30.7	-24.7	0	0	0	111.9
525	T	28.6	Very low	31.2	Very low	130 Å²	130	140.5 Å²	140.5	80%	0.798	82%	0.822	S	S	*	*			trans	-104.8	156.2	174.2	-50.5	0	0	0	0	110.8
526	R	38.9	Very low	30.9	Very low	238 Å²	238	132.7 Å²	132.7	90%	0.898	81%	0.813	S	S	*	*			trans	-54.5	146.2	-173.4	-70.1	176.1	169.6	167.3	-5.1	115.2
527	G	27.1	Very low	30.8	Very low	74 Å²	74	132.2 Å²	132.2	76%	0.763	81%	0.81	S	S	*	*			trans	-101.3	161.9	151.7	0	0	0	0	0	111.8
528	L	36.5	Very low	31.2	Very low	176 Å²	176	133.8 Å²	133.8	92%	0.921	81%	0.808	S	S	*	*			trans	-127	146.7	-177.5	-77.3	166.5	0	0	0	111.5
529	A	26.1	Very low	30.9	Very low	100 Å²	100	135.4 Å²	135.4	83%	0.826	81%	0.806	S	S	*	*			trans	-154.2	141.3	162.4	0	0	0	0	0	112.5
530	A	28	Very low	31	Very low	90 Å²	90	134.7 Å²	134.7	74%	0.744	80%	0.801	S	S	*	*			trans	-15.4	156.7	161.2	0	0	0	0	0	120.2
531	E	27.3	Very low	29.9	Very low	163 Å²	163	135.7 Å²	135.7	76%	0.762	81%	0.805	S	S	*	*			cis	-166.8	167.2	-6	-120.6	-177.3	175.9	0	0	112.5
532	Y	25.8	Very low	29.9	Very low	197 Å²	197	134 Å²	134	77%	0.773	79%	0.792	S	S	*	*			trans	63.8	132.9	156	-90.4	-76.9	0	0	0	124.1
533	S	26.1	Very low	29.9	Very low	94 Å²	94	137.9 Å²	137.9	66%	0.657	79%	0.787	S	S	*	*			trans	92.7	109.6	140.6	-68.1	0	0	0	0	123.4
534	R	26.2	Very low	29.3	Very low	247 Å²	247	135.3 Å²	135.3	93%	0.932	79%	0.785	S	S	*	*			trans	80.4	142.1	141.2	-67.2	-176.6	172.1	-177	-2.6	120.4
535	S	36.1	Very low	29.5	Very low	132 Å²	132	133.7 Å²	133.7	92%	0.923	78%	0.777	S	S	*	*			trans	-83.4	143.2	-177.6	-39.5	0	0	0	0	113.2
536	G	26.2	Very low	29.7	Very low	66 Å²	66	138 Å²	138	68%	0.68	78%	0.779	S	S	*	*			trans	178.8	135	166.7	0	0	0	0	0	113.4
537	S	24.6	Very low	29.6	Very low	107 Å²	107	134.1 Å²	134.1	75%	0.748	77%	0.771	S	S	*	*			trans	51.4	119.9	161.8	57.9	0	0	0	0	121.2
538	S	34.3	Very low	29.8	Very low	115 Å²	115	138.9 Å²	138.9	80%	0.804	78%	0.777	S	S	*	*				45.5	105.2	120	-45.7	0	0	0	0	120.7
539	L	23.2	Very low	29.5	Very low	155 Å²	155	136.7 Å²	136.7	81%	0.812	77%	0.771	S	S	*	*			trans	-131.6	127.7	145.9	-62.7	170.2	0	0	0	105.8
540	S	36.7	Very low	29.7	Very low	101 Å²	101	138.1 Å²	138.1	71%	0.706	78%	0.775	S	S	*	*			cis	66.2	92	45.2	83.2	0	0	0	0	113.2
541	T	26.6	Very low	29.7	Very low	138 Å²	138	137.1 Å²	137.1	85%	0.847	77%	0.773	S	S	*	*			trans	-134.3	88.8	175.6	-45.4	0	0	0	0	110.7
542	E	29.3	Very low	30	Very low	143 Å²	143	135.8 Å²	135.8	67%	0.668	78%	0.78	S	S	*	*			trans	-68.3	170.6	157.8	-44.7	167.7	119.1	0	0	109.2
543	Y	31.5	Very low	30.1	Very low	182 Å²	182	129.6 Å²	129.6	71%	0.714	78%	0.776	S	S	*	*			cis	-143.8	161.1	2.8	-106.6	-63.4	0	0	0	109.2
544	G	27.4	Very low	30.2	Very low	69 Å²	69	130.8 Å²	130.8	71%	0.711	79%	0.785	S	S	*	*			trans	-108.4	39	175.3	0	0	0	0	0	114.8	W546	G544-W546 PolarHBondContact O-N 3.22Å
545	S	33.6	Very low	30.3	Very low	91 Å²	91	125.8 Å²	125.8	64%	0.636	78%	0.775	S	S	*	*			trans	-77.5	104.2	-164.4	-57	0	0	0	0	114.5
546	W	33.2	Very low	29.9	Very low	220 Å²	220	128.6 Å²	128.6	83%	0.833	77%	0.773	S	S	*	*			trans	-119.4	60.9	174.1	-70.7	107.5	0	0	0	112.9	G544	G544-W546 PolarHBondContact O-N 3.22Å
547	Q	35.8	Very low	29.9	Very low	156 Å²	156	132.2 Å²	132.2	73%	0.729	78%	0.777	S	S	*	*			trans	-140.4	110.2	170.5	-71.2	-178.2	-84.8	0	0	111.1
548	I	31.8	Very low	30.2	Very low	175 Å²	175	134.8 Å²	134.8	90%	0.897	78%	0.777	S	S	*	*			trans	-131.9	147.5	154.5	-68.3	-174.4	0	0	0	107.2
549	V	28.8	Very low	29.7	Very low	129 Å²	129	133.1 Å²	133.1	78%	0.782	78%	0.777	S	S	*	*			trans	-90.1	135.3	-167.2	174.5	0	0	0	0	111.6
550	S	30.2	Very low	30	Very low	131 Å²	131	133.3 Å²	133.3	92%	0.916	77%	0.774	S	S	*	*			trans	-104.4	89.6	159.6	-66.8	0	0	0	0	109
551	G	29.7	Very low	29.5	Very low	68 Å²	68	138.1 Å²	138.1	70%	0.701	78%	0.782	S	S	*	*			trans	-96.1	117.9	176	0	0	0	0	0	110.4
552	C	33.3	Very low	29.5	Very low	136 Å²	136	136.8 Å²	136.8	92%	0.919	78%	0.779	S	S	*	*			trans	-101.2	94.5	167.9	-164.5	0	0	0	0	108.5
553	G	28.4	Very low	29.5	Very low	66 Å²	66	138.5 Å²	138.5	68%	0.68	79%	0.787	S	S	*	*			trans	-88.8	121.3	175.5	0	0	0	0	0	110.8
554	S	27	Very low	29.8	Very low	120 Å²	120	136.1 Å²	136.1	84%	0.839	79%	0.794	S	S	*	*			trans	-80.4	125	162.4	-173.8	0	0	0	0	108.7
555	I	28.7	Very low	29.8	Very low	142 Å²	142	141.5 Å²	141.5	73%	0.728	80%	0.802	S	S	*	*			trans	-119	120.2	173.9	-55.5	176.2	0	0	0	107.7
556	H	27.1	Very low	29.6	Very low	191 Å²	191	141.6 Å²	141.6	88%	0.884	81%	0.809	S	S	*	*			trans	-125.3	116.2	157.1	-88.8	20.6	0	0	0	106.7
557	D	26.3	Very low	29.4	Very low	142 Å²	142	136.1 Å²	136.1	76%	0.759	80%	0.804	S	S	*	*			trans	-117.6	162.9	175.1	-169	16.3	0	0	0	109.3
558	H	30.8	Very low	29.1	Very low	161 Å²	161	134.8 Å²	134.8	75%	0.745	81%	0.806	S	S	*	*	P	Polyproline II helix	trans	-80.8	143.1	-159.9	-68.5	-91.4	0	0	0	115
559	G	24.7	Very low	28.9	Very low	79 Å²	79	131.2 Å²	131.2	81%	0.814	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-102	124.2	158.5	0	0	0	0	0	110.9
560	H	28.8	Very low	29	Very low	160 Å²	160	130.2 Å²	130.2	74%	0.741	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-93.3	171.4	173	-90.7	-95	0	0	0	112.3
561	F	26	Very low	29	Very low	201 Å²	201	131.8 Å²	131.8	88%	0.882	79%	0.794	S	S	*	*			trans	74.4	138.7	179.6	-51.6	-83	0	0	0	114
562	S	26.5	Very low	29	Very low	111 Å²	111	134 Å²	134	78%	0.776	80%	0.798	S	S	*	*			cis	-143	164.6	13	-61.5	0	0	0	0	112.5
563	Q	30.2	Very low	28.9	Very low	178 Å²	178	132.6 Å²	132.6	83%	0.832	79%	0.791	S	S	*	*			trans	-75.9	162.4	159.6	-70.7	-173.2	-26	0	0	111.4
564	P	36.7	Very low	29	Very low	133 Å²	133	133.9 Å²	133.9	86%	0.864	80%	0.795	S	S	*	*				-137.7	175.6	102.2	37.7	-25.8	0	0	0	115
565	M	28.6	Very low	29.2	Very low	181 Å²	181	135 Å²	135	89%	0.892	80%	0.796	S	S	*	*			trans	-89	146.9	-172.9	-65.8	-174.3	-83.1	0	0	115.3
566	A	28.3	Very low	29.2	Very low	94 Å²	94	134.6 Å²	134.6	78%	0.777	80%	0.8	S	S	*	*			trans	-180	153.3	137.5	0	0	0	0	0	110.6
567	S	29.1	Very low	29.3	Very low	104 Å²	104	131.3 Å²	131.3	73%	0.727	80%	0.799	S	S	*	*			cis	176.9	155	-44.6	49.5	0	0	0	0	109.7
568	V	29	Very low	29.3	Very low	128 Å²	128	128.8 Å²	128.8	78%	0.776	80%	0.798	S	S	*	*			trans	87.6	135.9	162.1	-168.1	0	0	0	0	119.6
569	S	28.7	Very low	29.1	Very low	100 Å²	100	132 Å²	132	70%	0.699	81%	0.805	S	S	*	*			trans	60.5	126.2	165	52.3	0	0	0	0	118.9
570	S	30.3	Very low	29.2	Very low	109 Å²	109	136.1 Å²	136.1	76%	0.762	81%	0.808	S	S	*	*			cis	92.6	137.8	17.7	-47.4	0	0	0	0	116.7
571	N	29.7	Very low	29	Very low	164 Å²	164	133.9 Å²	133.9	88%	0.877	81%	0.81	S	S	*	*			trans	76.3	143.7	177.8	-58.4	-7.5	0	0	0	115.6
572	S	30.8	Very low	29.3	Very low	113 Å²	113	130 Å²	130	79%	0.79	81%	0.805	S	S	*	*			cis	-153.2	164	-2.4	42	0	0	0	0	113.8
573	S	31.4	Very low	29.6	Very low	108 Å²	108	132.4 Å²	132.4	76%	0.755	81%	0.809	S	S	*	*			trans	-44.6	145.2	-179.4	53.1	0	0	0	0	121.1
574	A	30.8	Very low	29.6	Very low	93 Å²	93	129.9 Å²	129.9	77%	0.769	81%	0.808	S	S	*	*			trans	67.7	128.3	136.9	0	0	0	0	0	121.8
575	V	31.1	Very low	29.3	Very low	143 Å²	143	133.1 Å²	133.1	87%	0.867	81%	0.809	S	S	*	*				-163.7	155.1	106.2	143.9	0	0	0	0	109.6
576	T	28.4	Very low	29.1	Very low	134 Å²	134	129.5 Å²	129.5	82%	0.822	80%	0.801	S	S	*	*			trans	-87.2	137.6	-177.5	50.3	0	0	0	0	114.1
577	S	28.4	Very low	29.5	Very low	121 Å²	121	134.9 Å²	134.9	85%	0.846	81%	0.807	S	S	*	*			trans	-149.4	130.9	151.6	56.3	0	0	0	0	109.8
578	A	27.9	Very low	29.4	Very low	89 Å²	89	137.9 Å²	137.9	74%	0.736	81%	0.81	S	S	*	*			trans	-105.4	136	-173.3	0	0	0	0	0	111.8
579	Y	26.5	Very low	29.8	Very low	230 Å²	230	140 Å²	140	90%	0.902	82%	0.817	S	S	*	*			trans	-151.6	75.3	163.7	-87.7	-66.9	0	0	0	110.5
580	D	25.3	Very low	30	Very low	164 Å²	164	142.9 Å²	142.9	88%	0.877	82%	0.819	S	S	*	*			trans	-77.2	130	164.8	-95.3	-47.5	0	0	0	110.2
581	S	26.1	Very low	30.2	Very low	113 Å²	113	139.9 Å²	139.9	79%	0.79	81%	0.806	S	S	*	*			trans	-98.8	114.4	169	-66.8	0	0	0	0	109.2
582	P	31.9	Very low	30.8	Very low	119 Å²	119	138.9 Å²	138.9	77%	0.773	81%	0.808	S	S	*	*			trans	-76.8	142.5	-169.5	29.1	-35.2	0	0	0	113.8
583	L	31.8	Very low	31	Very low	163 Å²	163	138.4 Å²	138.4	85%	0.853	81%	0.805	S	S	*	*			trans	-69	126	169.5	-65.9	167.2	0	0	0	110.6	F585	L583-F585 VanDerWaalsContact C-N 3.35Å; L583-F585 PolarHBondContact O-N 3.37Å
584	P	30.9	Very low	31.5	Very low	124 Å²	124	136.7 Å²	136.7	81%	0.805	80%	0.804	S	S	*	*			trans	-85.9	70.3	-179.5	34.9	-35.6	0	0	0	112.4
585	F	30.3	Very low	31.9	Very low	202 Å²	202	143.8 Å²	143.8	89%	0.886	81%	0.811	S	S	*	*			trans	-115.2	78.5	158.6	-87	-70.2	0	0	0	109.7	L583	L583-F585 VanDerWaalsContact C-N 3.35Å; L583-F585 PolarHBondContact O-N 3.37Å
586	S	25.3	Very low	32.5	Very low	105 Å²	105	143.5 Å²	143.5	73%	0.734	81%	0.81	S	S	*	*			trans	-125	121.6	168.9	-172.5	0	0	0	0	108.6	Q588	S586-Q588 PolarHBondContact O-N 2.93Å
587	F	34.9	Very low	33.3	Very low	206 Å²	206	142.8 Å²	142.8	90%	0.904	81%	0.809	S	S	*	*			trans	-76.1	114.5	169.7	-89	-100.8	0	0	0	108.4
588	Q	28.7	Very low	34.8	Very low	167 Å²	167	142 Å²	142	78%	0.78	80%	0.803	S	S	*	*			trans	-98.2	128.6	157.5	-73.1	-170.9	-23.7	0	0	108.6	S586 E590	S586-Q588 PolarHBondContact O-N 2.93Å; Q588-E590 PolarHBondContact O-N 2.68Å
589	D	37.3	Very low	36.9	Very low	173 Å²	173	145.4 Å²	145.4	93%	0.925	81%	0.808	S	S	*	*			trans	-81.9	94.1	175.3	-169.8	30.2	0	0	0	108.4
590	E	32.3	Very low	39.4	Very low	160 Å²	160	137.6 Å²	137.6	75%	0.748	79%	0.786	S	S	*	*			trans	-103.4	142.1	176.2	-100.9	-71.8	152.5	0	0	109.5	Q588	Q588-E590 PolarHBondContact O-N 2.68Å
591	G	33.5	Very low	42.6	Very low	47 Å²	47	131.5 Å²	131.5	49%	0.485	76%	0.756	S	S	.	*			trans	-67.4	-179	-160.2	0	0	0	0	0	116.1	S593	G591-S593 PolarHBondContact O-N 2.89Å
592	P	43.8	Very low	45.8	Very low	143 Å²	143	132.3 Å²	132.3	93%	0.929	75%	0.747	S	S	*	*			trans	-73.3	59.9	-170.1	32	-37.9	0	0	0	114.3	G594	P592-G594 PolarHBondContact O-N 3.16Å; P592-G594 VanDerWaalsContact O-N 3.09Å
593	S	34.6	Very low	48.8	Very low	103 Å²	103	126.9 Å²	126.9	72%	0.72	71%	0.711	S	S	*	*			trans	-66.3	102.3	163.7	-71.1	0	0	0	0	108.6	G591 R595	G591-S593 PolarHBondContact O-N 2.89Å; S593-R595 PolarHBondContact O-N 3.27Å
594	G	41.7	Very low	51.9	Low	71 Å²	71	122.1 Å²	122.1	73%	0.732	69%	0.685	S	S	*	*			trans	-60.5	89.8	-173.5	0	0	0	0	0	113.4	P592 T596	P592-G594 PolarHBondContact O-N 3.16Å; P592-G594 VanDerWaalsContact O-N 3.09Å; G594-T596 VanDerWaalsContact C-N 3.33Å; G594-T596 PolarHBondContact O-N 2.95Å
595	R	39.8	Very low	55.1	Low	243 Å²	243	118.3 Å²	118.3	92%	0.917	66%	0.664	S	S	*	*			trans	-62.3	98.2	161.5	-73.9	-173.7	177.9	-175.2	1	107.7	S593 C597	S593-R595 PolarHBondContact O-N 3.27Å; R595-C597 VanDerWaalsContact C-N 3.34Å; R595-C597 PolarHBondContact O-N 3.34Å
596	T	42.2	Very low	58.3	Low	137 Å²	137	110.7 Å²	110.7	84%	0.84	63%	0.629	S	S	*	*			trans	-58	100.6	164.6	42.6	0	0	0	0	107.6	G594 S598	G594-T596 VanDerWaalsContact C-N 3.33Å; G594-T596 PolarHBondContact O-N 2.95Å; T596-S598 PolarHBondContact O-N 3.4Å
597	C	45.3	Very low	61.8	Low	119 Å²	119	105.7 Å²	105.7	80%	0.804	59%	0.594	S	S	*	*			trans	-60.6	109.7	171.9	-167.3	0	0	0	0	106.5	R595 L599	R595-C597 VanDerWaalsContact C-N 3.34Å; R595-C597 PolarHBondContact O-N 3.34Å; C597-L599 PolarHBondContact O-N 3.21Å
598	S	59.7	Low	64.8	Low	103 Å²	103	99.2 Å²	99.2	72%	0.72	57%	0.567	S	S	*	*			trans	-61.1	114.6	-179.8	52.2	0	0	0	0	107.7	T596	T596-S598 PolarHBondContact O-N 3.4Å
599	L	72.8	Confident	68.1	Low	161 Å²	161	93 Å²	93	84%	0.843	54%	0.544	S	S	*	.	P	Polyproline II helix	trans	-49.5	129.8	176.1	-71.7	166.3	0	0	0	108.5	C597	C597-L599 PolarHBondContact O-N 3.21Å
600	P	79.1	Confident	71	Confident	67 Å²	67	84.8 Å²	84.8	44%	0.435	50%	0.5	S	S	.	.	P	Polyproline II helix	trans	-57.7	143.6	-179.5	25	-33.8	0	0	0	109.2	Q604	P600-Q604 HydrophobicContact CB-CB 4.29Å; P600-Q604 HydrophobicContact CB-CG 3.99Å
601	S	91.9	Very high	74.2	Confident	36 Å²	36	78.7 Å²	78.7	25%	0.252	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-63.1	153.8	176.3	71.7	0	0	0	0	110	R603 Q604 A605	S601-R603 PolarHBondContact O-N 3.16Å; S601-Q604 WeakPolarHBondContact O-CA 3.42Å; S601-Q604 WeakPolarHBondContact O-CB 3.49Å; S601-Q604 PolarHBondContact O-N 3.36Å; S601-Q604 WeakPolarHBondContact OG-CB 3.32Å; S601-Q604 PolarHBondContact OG-N 3.36Å; S601-A605 PolarHBondContact O-N 3Å
602	E	93.7	Very high	77.2	Confident	130 Å²	130	79.4 Å²	79.4	61%	0.607	46%	0.461	S	S	*	.	H	α-helix	trans	-53.3	-43.1	177.4	-167.7	-159.1	137	0	0	111.1	Q604 A605 R606	E602-Q604 PolarHBondContact O-N 2.91Å; E602-A605 PolarHBondContact O-N 3.08Å; E602-R606 HydrophobicContact CG-CG 4.44Å; E602-R606 VanDerWaalsContact O-CB 3.3Å; E602-R606 WeakPolarHBondContact O-CB 3.37Å; E602-R606 VanDerWaalsContact O-CG 3.23Å; E602-R606 WeakPolarHBondContact O-CG 3.48Å; E602-R606 PolarHBondContact O-N 3.33Å; E602-R606 WeakPolarHBondContact OE1-CD 3.39Å; E602-R606 IonicContact OE1-CZ 1.79Å; E602-R606 IonicContact OE1-NH1 2.62Å; E602-R606 PolarHBondContact OE1-NH1 3.11Å
603	R	95.6	Very high	79.8	Confident	5 Å²	5	74.6 Å²	74.6	2%	0.019	43%	0.427	C	S	.	.	H	α-helix	trans	-55.2	-47	173	-179.5	-175.1	173.5	74.7	15.8	112.6	S339 A342 D343 I392 V393 S394 F397 S601 L607	S339-R603 PolarHBondContact O-NH1 3.46Å; S339-R603 PolarHBondContact OG-NH1 2.81Å; S339-R603 PolarHBondContact OG-NH2 2.61Å; A342-R603 HydrophobicContact CB-CG 3.96Å; A342-R603 WeakPolarHBondContact O-CA 3.24Å; D343-R603 IonicContact OD1-CZ 2.76Å; D343-R603 IonicContact OD1-NH1 3.79Å; D343-R603 PolarHBondContact OD1-NH1 2.79Å; D343-R603 IonicContact OD2-NH1 3.76Å; D343-R603 PolarHBondContact OD2-NH1 3.07Å; I392-R603 PolarHBondContact O-NE 2.98Å; I392-R603 PolarHBondContact O-NH2 3.26Å; V393-R603 WeakPolarHBondContact O-CD 3.44Å; S394-R603 PolarHBondContact O-NE 3.06Å; F397-R603 PolarHBondContact O-NH1 3.06Å; F397-R603 PolarHBondContact O-NH2 2.86Å; S601-R603 PolarHBondContact O-N 3.16Å; R603-L607 HydrophobicContact CG-CD1 3.97Å; R603-L607 WeakPolarHBondContact O-CB 3.37Å; R603-L607 WeakPolarHBondContact O-CG 3.48Å; R603-L607 PolarHBondContact O-N 3.47Å; R603-L607 VanDerWaalsContact O-N 3.09Å
604	Q	96.9	Very high	82.8	Confident	62 Å²	62	69.7 Å²	69.7	29%	0.29	39%	0.393	S	S	.	.	H	α-helix	trans	-61.9	-53.8	177.6	174	174	3.2	0	0	110.6	V393 P600 S601 E602 R606 L607 E608	V393-Q604 HydrophobicContact CB-CB 3.98Å; V393-Q604 HydrophobicContact CB-CG 3.93Å; V393-Q604 HydrophobicContact CG1-CB 4.47Å; V393-Q604 HydrophobicContact CG1-CG 4.13Å; V393-Q604 HydrophobicContact CG2-CG 4.46Å; P600-Q604 HydrophobicContact CB-CB 4.29Å; P600-Q604 HydrophobicContact CB-CG 3.99Å; S601-Q604 WeakPolarHBondContact O-CA 3.42Å; S601-Q604 WeakPolarHBondContact O-CB 3.49Å; S601-Q604 PolarHBondContact O-N 3.36Å; S601-Q604 WeakPolarHBondContact OG-CB 3.32Å; S601-Q604 PolarHBondContact OG-N 3.36Å; E602-Q604 PolarHBondContact O-N 2.91Å; Q604-R606 VanDerWaalsContact C-N 3.31Å; Q604-R606 PolarHBondContact O-N 3.14Å; Q604-L607 PolarHBondContact O-N 2.94Å; Q604-E608 HydrophobicContact CG-CG 4.25Å; Q604-E608 WeakPolarHBondContact CG-OE1 3.45Å; Q604-E608 WeakPolarHBondContact CG-OE2 3.3Å; Q604-E608 PolarHBondContact NE2-OE1 2.93Å; Q604-E608 WeakPolarHBondContact O-CB 3.33Å; Q604-E608 WeakPolarHBondContact O-CG 3.33Å; Q604-E608 PolarHBondContact O-N 3.16Å
605	A	97.2	Very high	85.5	Confident	44 Å²	44	67.3 Å²	67.3	36%	0.364	36%	0.363	S	S	.	.	H	α-helix	trans	-59.9	-38.9	-179	0	0	0	0	0	112.6	S601 E602 A609	S601-A605 PolarHBondContact O-N 3Å; E602-A605 PolarHBondContact O-N 3.08Å; A605-A609 VanDerWaalsContact O-CB 3.24Å; A605-A609 WeakPolarHBondContact O-CB 3.42Å; A605-A609 PolarHBondContact O-N 3.16Å
606	R	97.7	Very high	88.1	Confident	42 Å²	42	57.9 Å²	57.9	16%	0.158	34%	0.337	C	S	.	.	H	α-helix	trans	-63.2	-46.6	175.4	-76.5	174.1	81.5	144.8	6	112.2	W341 A342 E602 Q604 V610	W341-R606 HydrophobicContact CH2-CB 3.68Å; W341-R606 HydrophobicContact CH2-CG 4.09Å; W341-R606 HydrophobicContact CZ3-CB 3.66Å; W341-R606 HydrophobicContact CZ3-CG 4.47Å; W341-R606 WeakPolarHBondContact CZ3-O 3.39Å; W341-R606 PolarHBondContact O-NE 3.02Å; W341-R606 PolarHBondContact O-NH2 2.7Å; A342-R606 HydrophobicContact CB-CB 4.35Å; E602-R606 HydrophobicContact CG-CG 4.44Å; E602-R606 VanDerWaalsContact O-CB 3.3Å; E602-R606 WeakPolarHBondContact O-CB 3.37Å; E602-R606 VanDerWaalsContact O-CG 3.23Å; E602-R606 WeakPolarHBondContact O-CG 3.48Å; E602-R606 PolarHBondContact O-N 3.33Å; E602-R606 WeakPolarHBondContact OE1-CD 3.39Å; E602-R606 IonicContact OE1-CZ 1.79Å; E602-R606 IonicContact OE1-NH1 2.62Å; E602-R606 PolarHBondContact OE1-NH1 3.11Å; Q604-R606 VanDerWaalsContact C-N 3.31Å; Q604-R606 PolarHBondContact O-N 3.14Å; R606-V610 WeakPolarHBondContact O-CG2 3.21Å; R606-V610 PolarHBondContact O-N 3.03Å; R606-V610 VanDerWaalsContact O-N 3.16Å
607	L	98.4	Very high	90.7	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-71.7	-38	-179.9	-71.7	167.8	0	0	0	112.8	L338 A342 L389 I392 V393 R603 Q604 V610 R611	L338-L607 HydrophobicContact CB-CD2 4.38Å; A342-L607 HydrophobicContact CB-CD1 3.89Å; A342-L607 HydrophobicContact CB-CD2 3.77Å; A342-L607 HydrophobicContact CB-CG 3.53Å; L389-L607 HydrophobicContact CD2-CD2 4.2Å; I392-L607 HydrophobicContact CG1-CD1 4.31Å; V393-L607 HydrophobicContact CG1-CB 4.21Å; R603-L607 HydrophobicContact CG-CD1 3.97Å; R603-L607 WeakPolarHBondContact O-CB 3.37Å; R603-L607 WeakPolarHBondContact O-CG 3.48Å; R603-L607 PolarHBondContact O-N 3.47Å; R603-L607 VanDerWaalsContact O-N 3.09Å; Q604-L607 PolarHBondContact O-N 2.94Å; L607-V610 PolarHBondContact O-N 2.91Å; L607-R611 WeakPolarHBondContact O-CB 3.26Å; L607-R611 PolarHBondContact O-N 3.29Å
608	E	98.2	Very high	93.1	Very high	71 Å²	71	45.7 Å²	45.7	33%	0.332	26%	0.259	S	S	.	.	H	α-helix	trans	-64.4	-44.4	173.7	-72.5	171.3	171.8	0	0	110.8	V393 Q604 V610 R611 E612	V393-E608 HydrophobicContact CG1-CG 4.24Å; Q604-E608 HydrophobicContact CG-CG 4.25Å; Q604-E608 WeakPolarHBondContact CG-OE1 3.45Å; Q604-E608 WeakPolarHBondContact CG-OE2 3.3Å; Q604-E608 PolarHBondContact NE2-OE1 2.93Å; Q604-E608 WeakPolarHBondContact O-CB 3.33Å; Q604-E608 WeakPolarHBondContact O-CG 3.33Å; Q604-E608 PolarHBondContact O-N 3.16Å; E608-V610 PolarHBondContact O-N 3.31Å; E608-R611 WeakPolarHBondContact O-CB 3.42Å; E608-R611 PolarHBondContact O-N 3.36Å; E608-R611 VanDerWaalsContact O-N 3.12Å; E608-E612 WeakPolarHBondContact O-CG 3.3Å; E608-E612 PolarHBondContact O-N 3.06Å
609	A	98.2	Very high	94.7	Very high	37 Å²	37	43.6 Å²	43.6	31%	0.306	24%	0.244	S	C	.	.	H	α-helix	trans	-59.3	-43.2	175.5	0	0	0	0	0	112.9	P352 A605 I613	P352-A609 HydrophobicContact CB-CB 3.81Å; P352-A609 HydrophobicContact CG-CB 3.86Å; A605-A609 VanDerWaalsContact O-CB 3.24Å; A605-A609 WeakPolarHBondContact O-CB 3.42Å; A605-A609 PolarHBondContact O-N 3.16Å; A609-I613 VanDerWaalsContact O-CD1 3.31Å; A609-I613 WeakPolarHBondContact O-CD1 3.17Å; A609-I613 WeakPolarHBondContact O-CG1 3.34Å; A609-I613 PolarHBondContact O-N 3.33Å
610	V	98.6	Very high	95.7	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-61	-44.2	173.7	171.1	0	0	0	0	111.1	L338 W341 P352 I355 L356 L389 R606 L607 E608 F614	L338-V610 HydrophobicContact CD1-CG1 4.38Å; L338-V610 HydrophobicContact CD2-CG1 4.08Å; W341-V610 HydrophobicContact CE3-CG2 4.35Å; W341-V610 HydrophobicContact CH2-CG2 3.64Å; W341-V610 HydrophobicContact CZ3-CG2 3.44Å; W341-V610 VanDerWaalsContact CZ3-CG2 3.44Å; P352-V610 HydrophobicContact CB-CG2 3.99Å; I355-V610 HydrophobicContact CG2-CG2 3.74Å; L356-V610 HydrophobicContact CB-CG1 4.28Å; L356-V610 HydrophobicContact CD1-CG1 3.99Å; L389-V610 HydrophobicContact CD1-CB 4.12Å; L389-V610 HydrophobicContact CD1-CG1 3.59Å; R606-V610 WeakPolarHBondContact O-CG2 3.21Å; R606-V610 PolarHBondContact O-N 3.03Å; R606-V610 VanDerWaalsContact O-N 3.16Å; L607-V610 PolarHBondContact O-N 2.91Å; E608-V610 PolarHBondContact O-N 3.31Å; V610-F614 WeakPolarHBondContact O-CB 3.44Å; V610-F614 PolarHBondContact O-N 2.87Å; V610-F614 VanDerWaalsContact O-N 3.12Å
611	R	98.4	Very high	96.3	Very high	31 Å²	31	38.8 Å²	38.8	12%	0.117	22%	0.224	C	C	.	.	H	α-helix	trans	-62.2	-49.5	179.4	-178.7	179.4	177.3	-91	1.1	111.8	N387 L389 L607 E608 I613 F614 L615	N387-R611 PolarHBondContact O-NE 3.27Å; N387-R611 PolarHBondContact OD1-NE 2.98Å; N387-R611 PolarHBondContact OD1-NH2 3.02Å; L389-R611 HydrophobicContact CB-CB 4.39Å; L389-R611 HydrophobicContact CD1-CB 4.37Å; L607-R611 WeakPolarHBondContact O-CB 3.26Å; L607-R611 PolarHBondContact O-N 3.29Å; E608-R611 WeakPolarHBondContact O-CB 3.42Å; E608-R611 PolarHBondContact O-N 3.36Å; E608-R611 VanDerWaalsContact O-N 3.12Å; R611-I613 PolarHBondContact O-N 2.81Å; R611-F614 WeakPolarHBondContact O-CB 2.98Å; R611-F614 PolarHBondContact O-N 3.27Å; R611-L615 HydrophobicContact CG-CD1 3.92Å; R611-L615 HydrophobicContact CG-CG 4.18Å; R611-L615 VanDerWaalsContact CZ-CD1 3.44Å; R611-L615 WeakPolarHBondContact O-CG 3.2Å; R611-L615 PolarHBondContact O-N 3.25Å
612	E	97.7	Very high	96.2	Very high	63 Å²	63	38.1 Å²	38.1	29%	0.294	22%	0.218	S	C	.	.	H	α-helix	trans	-68.6	-36.7	-175.6	-61.5	-40.8	115	0	0	112.6	E608 F614 L615 A616	E608-E612 WeakPolarHBondContact O-CG 3.3Å; E608-E612 PolarHBondContact O-N 3.06Å; E612-F614 VanDerWaalsContact C-N 3.33Å; E612-F614 PolarHBondContact O-N 3.13Å; E612-L615 PolarHBondContact O-N 2.94Å; E612-A616 WeakPolarHBondContact O-CB 3.29Å; E612-A616 PolarHBondContact O-N 2.96Å
613	I	98.3	Very high	95.7	Very high	42 Å²	42	32.9 Å²	32.9	22%	0.215	20%	0.199	C	C	.	.	H	α-helix	trans	-62.8	-42.5	173	-61.9	163.2	0	0	0	110.2	I25 P352 A353 L356 A609 R611 A617	I25-I613 HydrophobicContact CG1-CG2 4.24Å; P352-I613 HydrophobicContact CB-CD1 3.98Å; A353-I613 HydrophobicContact CB-CD1 4.12Å; L356-I613 HydrophobicContact CD2-CB 3.93Å; L356-I613 HydrophobicContact CD2-CG2 3.66Å; A609-I613 VanDerWaalsContact O-CD1 3.31Å; A609-I613 WeakPolarHBondContact O-CD1 3.17Å; A609-I613 WeakPolarHBondContact O-CG1 3.34Å; A609-I613 PolarHBondContact O-N 3.33Å; R611-I613 PolarHBondContact O-N 2.81Å; I613-A617 WeakPolarHBondContact O-CB 3.41Å; I613-A617 PolarHBondContact O-N 2.78Å; I613-A617 VanDerWaalsContact O-N 3.12Å
614	F	98.3	Very high	94.9	Very high	0 Å²	0	35 Å²	35	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63.2	-48.7	174.8	174.9	-95.3	0	0	0	112.2	I29 L356 I360 F382 F383 F386 V610 R611 E612 A616 A617 Y618	I29-F614 HydrophobicContact CD1-CD2 4.08Å; I29-F614 HydrophobicContact CD1-CE2 4.05Å; L356-F614 HydrophobicContact CD1-CB 4Å; L356-F614 HydrophobicContact CD1-CD2 4.26Å; L356-F614 HydrophobicContact CD2-CB 3.9Å; I360-F614 HydrophobicContact CD1-CD2 4.13Å; F382-F614 HydrophobicContact CD1-CZ 4.44Å; F382-F614 AromaticContact CE1-CE2 3.82Å; F382-F614 HydrophobicContact CE1-CE2 3.82Å; F382-F614 HydrophobicContact CE1-CZ 4.09Å; F382-F614 AromaticContact CZ-CE2 3.88Å; F382-F614 HydrophobicContact CZ-CE2 3.88Å; F383-F614 AromaticContact CD2-CE1 3.58Å; F383-F614 HydrophobicContact CD2-CE1 3.58Å; F383-F614 HydrophobicContact CD2-CZ 4.14Å; F383-F614 HydrophobicContact CE2-CE1 4.01Å; F383-F614 HydrophobicContact CG-CE1 4.44Å; F386-F614 HydrophobicContact CB-CB 4.07Å; F386-F614 HydrophobicContact CB-CD1 3.3Å; F386-F614 HydrophobicContact CB-CD2 3.9Å; F386-F614 HydrophobicContact CB-CE1 3.61Å; F386-F614 HydrophobicContact CB-CE2 4.18Å; F386-F614 HydrophobicContact CB-CG 3.45Å; F386-F614 VanDerWaalsContact CB-CG 3.45Å; F386-F614 HydrophobicContact CB-CZ 4.05Å; F386-F614 HydrophobicContact CD1-CD2 4.31Å; F386-F614 HydrophobicContact CD1-CG 4.4Å; F386-F614 HydrophobicContact CD2-CD1 4.45Å; F386-F614 AromaticContact CD2-CD2 3.75Å; F386-F614 HydrophobicContact CD2-CD2 3.75Å; F386-F614 HydrophobicContact CD2-CE1 4.23Å; F386-F614 AromaticContact CD2-CE2 3.49Å; F386-F614 HydrophobicContact CD2-CE2 3.49Å; F386-F614 VanDerWaalsContact CD2-CE2 3.49Å; F386-F614 HydrophobicContact CD2-CG 4.22Å; F386-F614 AromaticContact CD2-CZ 3.76Å; F386-F614 HydrophobicContact CD2-CZ 3.76Å; F386-F614 HydrophobicContact CE2-CD2 4.39Å; F386-F614 HydrophobicContact CE2-CE2 4.1Å; F386-F614 HydrophobicContact CG-CB 4.43Å; F386-F614 HydrophobicContact CG-CD1 4.07Å; F386-F614 AromaticContact CG-CD2 3.71Å; F386-F614 HydrophobicContact CG-CD2 3.71Å; F386-F614 HydrophobicContact CG-CE1 4.27Å; F386-F614 AromaticContact CG-CE2 3.94Å; F386-F614 HydrophobicContact CG-CE2 3.94Å; F386-F614 AromaticContact CG-CG 3.78Å; F386-F614 HydrophobicContact CG-CG 3.78Å; F386-F614 HydrophobicContact CG-CZ 4.21Å; V610-F614 WeakPolarHBondContact O-CB 3.44Å; V610-F614 PolarHBondContact O-N 2.87Å; V610-F614 VanDerWaalsContact O-N 3.12Å; R611-F614 WeakPolarHBondContact O-CB 2.98Å; R611-F614 PolarHBondContact O-N 3.27Å; E612-F614 VanDerWaalsContact C-N 3.33Å; E612-F614 PolarHBondContact O-N 3.13Å; F614-A616 VanDerWaalsContact C-N 3.34Å; F614-A616 PolarHBondContact O-N 2.85Å; F614-A617 PolarHBondContact O-N 2.73Å; F614-Y618 HydrophobicContact CE1-CD2 4.42Å; F614-Y618 HydrophobicContact CE1-CG 4.19Å; F614-Y618 HydrophobicContact CE2-CD2 4.09Å; F614-Y618 AromaticContact CZ-CD2 3.65Å; F614-Y618 HydrophobicContact CZ-CD2 3.65Å; F614-Y618 HydrophobicContact CZ-CE2 4.24Å; F614-Y618 AromaticContact CZ-CG 3.87Å; F614-Y618 HydrophobicContact CZ-CG 3.87Å; F614-Y618 VanDerWaalsContact O-CB 3.28Å; F614-Y618 WeakPolarHBondContact O-CB 3.5Å; F614-Y618 PolarHBondContact O-N 2.88Å
615	L	96.8	Very high	93.2	Very high	21 Å²	21	40.5 Å²	40.5	11%	0.11	23%	0.229	C	C	.	.	H	α-helix	trans	-62.6	-40.9	-177.4	-71.5	-178.4	0	0	0	111.8	F383 R611 E612 S619	F383-L615 HydrophobicContact CD2-CD2 4.48Å; F383-L615 HydrophobicContact CE2-CD2 3.36Å; F383-L615 HydrophobicContact CZ-CD2 3.57Å; R611-L615 HydrophobicContact CG-CD1 3.92Å; R611-L615 HydrophobicContact CG-CG 4.18Å; R611-L615 VanDerWaalsContact CZ-CD1 3.44Å; R611-L615 WeakPolarHBondContact O-CG 3.2Å; R611-L615 PolarHBondContact O-N 3.25Å; E612-L615 PolarHBondContact O-N 2.94Å; L615-S619 WeakPolarHBondContact O-CB 3.42Å; L615-S619 PolarHBondContact O-N 2.91Å; L615-S619 PolarHBondContact O-OG 3.22Å
616	A	95.9	Very high	91.1	Very high	44 Å²	44	41.8 Å²	41.8	36%	0.364	24%	0.235	S	C	.	.	H	α-helix	trans	-60.6	-51.8	174.1	0	0	0	0	0	111.5	E612 F614 S619 S620	E612-A616 WeakPolarHBondContact O-CB 3.29Å; E612-A616 PolarHBondContact O-N 2.96Å; F614-A616 VanDerWaalsContact C-N 3.34Å; F614-A616 PolarHBondContact O-N 2.85Å; A616-S619 PolarHBondContact O-N 2.89Å; A616-S620 PolarHBondContact O-N 3.01Å; A616-S620 VanDerWaalsContact O-N 3.11Å; A616-S620 PolarHBondContact O-OG 3.26Å
617	A	96.6	Very high	88.5	Confident	1 Å²	1	43 Å²	43	1%	0.008	25%	0.25	C	C	.	.	H	α-helix	trans	-70.1	-32.7	-176.9	0	0	0	0	0	113.9	I25 A26 I29 I613 F614 S620 T621	I25-A617 HydrophobicContact CB-CB 4.11Å; I25-A617 HydrophobicContact CG2-CB 3.57Å; A26-A617 HydrophobicContact CB-CB 4.28Å; I29-A617 HydrophobicContact CD1-CB 3.98Å; I613-A617 WeakPolarHBondContact O-CB 3.41Å; I613-A617 PolarHBondContact O-N 2.78Å; I613-A617 VanDerWaalsContact O-N 3.12Å; F614-A617 PolarHBondContact O-N 2.73Å; A617-S620 PolarHBondContact O-OG 2.93Å; A617-T621 WeakPolarHBondContact O-CB 3.45Å; A617-T621 WeakPolarHBondContact O-CG2 3.03Å; A617-T621 PolarHBondContact O-OG1 2.9Å
618	Y	96.1	Very high	85.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	27%	0.273	C	S	.	.	H	α-helix	trans	-72.8	-40.3	175.1	-165.3	-101.3	0	0	0	111.5	I29 L375 E380 F382 F383 F614 S620 T621 V622 G623 L624	I29-Y618 HydrophobicContact CG2-CD2 3.87Å; I29-Y618 HydrophobicContact CG2-CE2 4.45Å; L375-Y618 WeakPolarHBondContact CD2-OH 3.36Å; E380-Y618 PolarHBondContact OE2-OH 3.22Å; F382-Y618 HydrophobicContact CD1-CD2 4.41Å; F382-Y618 AromaticContact CD1-CE2 3.74Å; F382-Y618 HydrophobicContact CD1-CE2 3.74Å; F382-Y618 HydrophobicContact CE1-CD2 4.05Å; F382-Y618 AromaticContact CE1-CE2 3.78Å; F382-Y618 HydrophobicContact CE1-CE2 3.78Å; F383-Y618 HydrophobicContact CB-CE1 3.95Å; F383-Y618 AromaticContact CD2-CD1 3.39Å; F383-Y618 HydrophobicContact CD2-CD1 3.39Å; F383-Y618 AromaticContact CD2-CE1 3.42Å; F383-Y618 HydrophobicContact CD2-CE1 3.42Å; F383-Y618 VanDerWaalsContact CD2-CE1 3.42Å; F383-Y618 HydrophobicContact CD2-CG 4.06Å; F383-Y618 AromaticContact CE2-CD1 3.9Å; F383-Y618 HydrophobicContact CE2-CD1 3.9Å; F383-Y618 HydrophobicContact CE2-CE1 4.26Å; F383-Y618 HydrophobicContact CG-CD1 4.36Å; F383-Y618 AromaticContact CG-CE1 3.95Å; F383-Y618 HydrophobicContact CG-CE1 3.95Å; F614-Y618 HydrophobicContact CE1-CD2 4.42Å; F614-Y618 HydrophobicContact CE1-CG 4.19Å; F614-Y618 HydrophobicContact CE2-CD2 4.09Å; F614-Y618 AromaticContact CZ-CD2 3.65Å; F614-Y618 HydrophobicContact CZ-CD2 3.65Å; F614-Y618 HydrophobicContact CZ-CE2 4.24Å; F614-Y618 AromaticContact CZ-CG 3.87Å; F614-Y618 HydrophobicContact CZ-CG 3.87Å; F614-Y618 VanDerWaalsContact O-CB 3.28Å; F614-Y618 WeakPolarHBondContact O-CB 3.5Å; F614-Y618 PolarHBondContact O-N 2.88Å; Y618-S620 VanDerWaalsContact C-N 3.32Å; Y618-S620 PolarHBondContact O-N 3.26Å; Y618-T621 PolarHBondContact O-N 3.39Å; Y618-T621 PolarHBondContact O-OG1 3.43Å; Y618-V622 HydrophobicContact CD1-CB 4.37Å; Y618-V622 HydrophobicContact CD2-CB 4.2Å; Y618-V622 HydrophobicContact CD2-CG2 4.03Å; Y618-V622 HydrophobicContact CE1-CB 4.13Å; Y618-V622 HydrophobicContact CE1-CG1 4.08Å; Y618-V622 HydrophobicContact CE2-CB 3.91Å; Y618-V622 HydrophobicContact CE2-CG1 4.15Å; Y618-V622 HydrophobicContact CE2-CG2 3.73Å; Y618-V622 HydrophobicContact CG-CB 4.43Å; Y618-V622 PolarHBondContact O-N 3.17Å; Y618-G623 PolarHBondContact O-N 2.68Å; Y618-L624 HydrophobicContact CD1-CD2 3.91Å; Y618-L624 HydrophobicContact CE1-CD2 3.97Å
619	S	93.1	Very high	82.9	Confident	58 Å²	58	48.9 Å²	48.9	41%	0.406	30%	0.299	S	S	.	.	H	α-helix	trans	-67.1	-32.2	178.4	-58.3	0	0	0	0	112.5	L615 A616	L615-S619 WeakPolarHBondContact O-CB 3.42Å; L615-S619 PolarHBondContact O-N 2.91Å; L615-S619 PolarHBondContact O-OG 3.22Å; A616-S619 PolarHBondContact O-N 2.89Å
620	S	92.4	Very high	79.8	Confident	88 Å²	88	50.8 Å²	50.8	62%	0.615	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-5.9	177.4	64.8	0	0	0	0	115	A616 A617 Y618	A616-S620 PolarHBondContact O-N 3.01Å; A616-S620 VanDerWaalsContact O-N 3.11Å; A616-S620 PolarHBondContact O-OG 3.26Å; A617-S620 PolarHBondContact O-OG 2.93Å; Y618-S620 VanDerWaalsContact C-N 3.32Å; Y618-S620 PolarHBondContact O-N 3.26Å
621	T	92.4	Very high	76.8	Confident	39 Å²	39	57.3 Å²	57.3	24%	0.239	35%	0.353	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.6	-62.5	-174.2	53.8	0	0	0	0	113.2	A26 I29 D30 A617 Y618	A26-T621 HydrophobicContact CB-CG2 3.84Å; I29-T621 WeakPolarHBondContact CG2-OG1 3.47Å; D30-T621 HydrophobicContact CB-CG2 4.22Å; A617-T621 WeakPolarHBondContact O-CB 3.45Å; A617-T621 WeakPolarHBondContact O-CG2 3.03Å; A617-T621 PolarHBondContact O-OG1 2.9Å; Y618-T621 PolarHBondContact O-N 3.39Å; Y618-T621 PolarHBondContact O-OG1 3.43Å
622	V	90.7	Very high	73.9	Confident	22 Å²	22	60.2 Å²	60.2	13%	0.133	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.8	-39.4	179	179.1	0	0	0	0	110.7	I29 L375 Y618	I29-V622 HydrophobicContact CG2-CG2 3.83Å; L375-V622 HydrophobicContact CD1-CG1 3.92Å; L375-V622 HydrophobicContact CD1-CG2 4.2Å; L375-V622 HydrophobicContact CD2-CG1 3.69Å; L375-V622 HydrophobicContact CG-CG1 4.44Å; Y618-V622 HydrophobicContact CD1-CB 4.37Å; Y618-V622 HydrophobicContact CD2-CB 4.2Å; Y618-V622 HydrophobicContact CD2-CG2 4.03Å; Y618-V622 HydrophobicContact CE1-CB 4.13Å; Y618-V622 HydrophobicContact CE1-CG1 4.08Å; Y618-V622 HydrophobicContact CE2-CB 3.91Å; Y618-V622 HydrophobicContact CE2-CG1 4.15Å; Y618-V622 HydrophobicContact CE2-CG2 3.73Å; Y618-V622 HydrophobicContact CG-CB 4.43Å; Y618-V622 PolarHBondContact O-N 3.17Å
623	G	81.4	Confident	71.1	Confident	20 Å²	20	61.1 Å²	61.1	21%	0.206	40%	0.404	C	S	.	.			trans	75.3	141.9	-177.2	0	0	0	0	0	113.1	Y618 R625	Y618-G623 PolarHBondContact O-N 2.68Å; G623-R625 PolarHBondContact O-N 3.4Å
624	L	79.1	Confident	68.2	Low	50 Å²	50	62.9 Å²	62.9	26%	0.262	43%	0.425	S	S	.	.			trans	-82.7	116.1	176	-61.3	176.9	0	0	0	109.7	Y255 F383 Y618 L638	Y255-L624 HydrophobicContact CE1-CD2 4.26Å; Y255-L624 HydrophobicContact CE2-CB 4.2Å; Y255-L624 HydrophobicContact CE2-CD2 4.11Å; F383-L624 HydrophobicContact CD2-CD2 3.95Å; F383-L624 HydrophobicContact CE1-CD2 4.27Å; F383-L624 HydrophobicContact CE2-CD1 4.48Å; F383-L624 HydrophobicContact CE2-CD2 3.52Å; F383-L624 HydrophobicContact CZ-CD1 4.3Å; F383-L624 HydrophobicContact CZ-CD2 3.7Å; Y618-L624 HydrophobicContact CD1-CD2 3.91Å; Y618-L624 HydrophobicContact CE1-CD2 3.97Å; L624-L638 HydrophobicContact CD1-CD2 3.32Å
625	R	61	Low	65.8	Low	178 Å²	178	69.7 Å²	69.7	67%	0.672	46%	0.46	S	S	*	.			trans	-105	87.6	-177.7	-58.9	-172.6	-170.7	-165.3	1.4	109.6	K251 Y255 G623	K251-R625 WeakPolarHBondContact CE-O 3.47Å; Y255-R625 PolarHBondContact OH-N 2.82Å; G623-R625 PolarHBondContact O-N 3.4Å
626	S	54.2	Low	63.2	Low	71 Å²	71	71.9 Å²	71.9	50%	0.497	48%	0.477	S	S	.	.			trans	-59.8	149.9	168.2	171.6	0	0	0	0	110.9	D254	D254-S626 VanDerWaalsContact OD1-CB 3.25Å; D254-S626 WeakPolarHBondContact OD1-CB 3.25Å; D254-S626 PolarHBondContact OD1-OG 3.35Å
627	S	43.6	Very low	60.8	Low	67 Å²	67	72.1 Å²	72.1	47%	0.469	48%	0.484	S	S	.	.	S	Bend	trans	-95.6	22.1	-166.6	40	0	0	0	0	115.3	D252	D252-S627 PolarHBondContact O-OG 3.2Å
628	A	40.2	Very low	58.6	Low	60 Å²	60	76.5 Å²	76.5	50%	0.496	51%	0.507	S	S	.	.			trans	-154.6	136	167.1	0	0	0	0	0	114.5	S630	A628-S630 VanDerWaalsContact C-N 3.3Å; A628-S630 PolarHBondContact O-N 3.5Å; A628-S630 VanDerWaalsContact O-N 3.12Å
629	P	38.1	Very low	56.2	Low	134 Å²	134	81.9 Å²	81.9	87%	0.87	54%	0.535	S	S	*	.			trans	-80.5	77.1	160.2	34.2	-32.2	0	0	0	109.9
630	S	32.4	Very low	53.7	Low	77 Å²	77	83 Å²	83	54%	0.538	53%	0.533	S	S	.	.			trans	-62.3	132.5	171.9	-71	0	0	0	0	110.5	A628 S632	A628-S630 VanDerWaalsContact C-N 3.3Å; A628-S630 PolarHBondContact O-N 3.5Å; A628-S630 VanDerWaalsContact O-N 3.12Å; S630-S632 PolarHBondContact O-N 2.95Å
631	P	36.6	Very low	51.5	Low	138 Å²	138	84.1 Å²	84.1	90%	0.896	53%	0.529	S	S	*	.	S	Bend	trans	-75.6	22.2	-174.8	32	-37.2	0	0	0	114.4
632	S	37.6	Very low	49.3	Very low	91 Å²	91	87.3 Å²	87.3	64%	0.636	54%	0.54	S	S	*	.	S	Bend	trans	-138.5	135.2	178.4	-61.8	0	0	0	0	107.9	S630 A634	S630-S632 PolarHBondContact O-N 2.95Å; S632-A634 VanDerWaalsContact C-N 3.29Å; S632-A634 PolarHBondContact O-N 3.47Å
633	G	37.9	Very low	46.9	Very low	82 Å²	82	89.3 Å²	89.3	85%	0.845	56%	0.559	S	S	*	*			trans	-68.4	65	-164.9	0	0	0	0	0	117.1	I635	G633-I635 PolarHBondContact O-N 3.3Å; G633-I635 VanDerWaalsContact O-N 3.11Å
634	A	37.2	Very low	45.1	Very low	80 Å²	80	97.6 Å²	97.6	66%	0.661	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.4	18.6	-173.5	0	0	0	0	0	115.6	S632 S636	S632-A634 VanDerWaalsContact C-N 3.29Å; S632-A634 PolarHBondContact O-N 3.47Å; A634-S636 PolarHBondContact O-N 2.97Å; A634-S636 VanDerWaalsContact O-N 3.1Å
635	I	48.6	Very low	43.3	Very low	142 Å²	142	98.2 Å²	98.2	73%	0.728	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-19.9	175.9	-58.9	176.4	0	0	0	111.5	G633 G637	G633-I635 PolarHBondContact O-N 3.3Å; G633-I635 VanDerWaalsContact O-N 3.11Å; I635-G637 VanDerWaalsContact C-N 3.33Å; I635-G637 PolarHBondContact O-N 3.1Å
636	S	42.9	Very low	42.4	Very low	68 Å²	68	92.7 Å²	92.7	48%	0.476	59%	0.588	S	S	.	*	H	α-helix	trans	-53	-42	179.8	-159.1	0	0	0	0	113.8	A634 L638 L639 E640	A634-S636 PolarHBondContact O-N 2.97Å; A634-S636 VanDerWaalsContact O-N 3.1Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 3.19Å; S636-L638 VanDerWaalsContact O-N 3.15Å; S636-L639 PolarHBondContact O-N 3.49Å; S636-E640 WeakPolarHBondContact O-CB 3.34Å; S636-E640 PolarHBondContact O-N 2.93Å; S636-E640 PolarHBondContact OG-OE2 3.45Å
637	G	44.2	Very low	41.5	Very low	49 Å²	49	93.2 Å²	93.2	51%	0.505	60%	0.604	S	S	.	*	H	α-helix	trans	-56.8	-40.8	-164.8	0	0	0	0	0	115.3	I635	I635-G637 VanDerWaalsContact C-N 3.33Å; I635-G637 PolarHBondContact O-N 3.1Å
638	L	50.1	Low	41.1	Very low	93 Å²	93	97.2 Å²	97.2	49%	0.487	62%	0.62	S	S	.	*	H	α-helix	trans	-90.7	-35	178	-154.9	81.5	0	0	0	112.5	L624 S636 E640 Q641 F642	L624-L638 HydrophobicContact CD1-CD2 3.32Å; S636-L638 VanDerWaalsContact C-N 3.35Å; S636-L638 PolarHBondContact O-N 3.19Å; S636-L638 VanDerWaalsContact O-N 3.15Å; L638-E640 PolarHBondContact O-N 3.28Å; L638-Q641 WeakPolarHBondContact O-CB 3.23Å; L638-Q641 PolarHBondContact O-N 2.95Å; L638-F642 PolarHBondContact O-N 3.45Å; L638-F642 VanDerWaalsContact O-N 3.08Å
639	L	45.6	Very low	40.9	Very low	113 Å²	113	106.1 Å²	106.1	59%	0.592	64%	0.641	S	S	*	*	H	α-helix	trans	-65.1	-26.7	175.4	-155.9	80.2	0	0	0	111.7	S636 F642 A643	S636-L639 PolarHBondContact O-N 3.49Å; L639-F642 WeakPolarHBondContact O-CB 3.41Å; L639-F642 PolarHBondContact O-N 3.48Å; L639-A643 VanDerWaalsContact O-CB 3.3Å; L639-A643 WeakPolarHBondContact O-CB 3.33Å; L639-A643 PolarHBondContact O-N 3.34Å
640	E	40.8	Very low	40.5	Very low	80 Å²	80	103.1 Å²	103.1	37%	0.374	63%	0.634	S	S	.	*	H	α-helix	trans	-79.7	-30.2	175.4	-171.1	175.7	173.3	0	0	112.3	S636 L638 F642 R644	S636-E640 WeakPolarHBondContact O-CB 3.34Å; S636-E640 PolarHBondContact O-N 2.93Å; S636-E640 PolarHBondContact OG-OE2 3.45Å; L638-E640 PolarHBondContact O-N 3.28Å; E640-F642 VanDerWaalsContact C-N 3.32Å; E640-R644 VanDerWaalsContact O-CB 3.3Å; E640-R644 WeakPolarHBondContact O-CB 3.44Å; E640-R644 WeakPolarHBondContact O-CD 3.43Å; E640-R644 WeakPolarHBondContact O-CG 3.22Å; E640-R644 PolarHBondContact O-N 3.17Å; E640-R644 IonicContact OE1-CZ 2.86Å; E640-R644 IonicContact OE1-NE 3.54Å; E640-R644 PolarHBondContact OE1-NE 3.34Å; E640-R644 IonicContact OE1-NH2 3.82Å; E640-R644 PolarHBondContact OE1-NH2 3.38Å
641	Q	47.2	Very low	40.6	Very low	113 Å²	113	105 Å²	105	53%	0.528	65%	0.647	S	S	.	*	H	α-helix	trans	-62.9	-42.6	164.9	-69.3	-175.5	15.6	0	0	110.5	L638 R644 G645	L638-Q641 WeakPolarHBondContact O-CB 3.23Å; L638-Q641 PolarHBondContact O-N 2.95Å; Q641-R644 PolarHBondContact O-N 3.46Å; Q641-G645 PolarHBondContact O-N 3.46Å; Q641-G645 VanDerWaalsContact O-N 3.17Å
642	F	46.4	Very low	40.1	Very low	105 Å²	105	106 Å²	106	46%	0.461	65%	0.645	S	S	.	*	H	α-helix	trans	-63.8	-47.4	175.4	-168	-101.1	0	0	0	112.1	L638 L639 E640 R644 G645 V646	L638-F642 PolarHBondContact O-N 3.45Å; L638-F642 VanDerWaalsContact O-N 3.08Å; L639-F642 WeakPolarHBondContact O-CB 3.41Å; L639-F642 PolarHBondContact O-N 3.48Å; E640-F642 VanDerWaalsContact C-N 3.32Å; F642-R644 VanDerWaalsContact C-N 3.29Å; F642-R644 PolarHBondContact O-N 3.22Å; F642-G645 PolarHBondContact O-N 2.86Å; F642-V646 HydrophobicContact CD1-CG2 4.43Å; F642-V646 HydrophobicContact CE1-CG2 4.18Å; F642-V646 HydrophobicContact CZ-CG2 4.24Å; F642-V646 PolarHBondContact O-N 3.27Å
643	A	40.2	Very low	39.6	Very low	65 Å²	65	106.6 Å²	106.6	54%	0.537	66%	0.655	S	S	.	*	H	α-helix	trans	-70.4	-18.4	179	0	0	0	0	0	114.4	L639	L639-A643 VanDerWaalsContact O-CB 3.3Å; L639-A643 WeakPolarHBondContact O-CB 3.33Å; L639-A643 PolarHBondContact O-N 3.34Å
644	R	44.3	Very low	39.3	Very low	194 Å²	194	110.5 Å²	110.5	73%	0.732	66%	0.655	S	S	*	*	H	α-helix	trans	-83	-22.7	168.6	-71.4	169.9	-174.9	-157.7	6.1	112.5	E640 Q641 F642	E640-R644 VanDerWaalsContact O-CB 3.3Å; E640-R644 WeakPolarHBondContact O-CB 3.44Å; E640-R644 WeakPolarHBondContact O-CD 3.43Å; E640-R644 WeakPolarHBondContact O-CG 3.22Å; E640-R644 PolarHBondContact O-N 3.17Å; E640-R644 IonicContact OE1-CZ 2.86Å; E640-R644 IonicContact OE1-NE 3.54Å; E640-R644 PolarHBondContact OE1-NE 3.34Å; E640-R644 IonicContact OE1-NH2 3.82Å; E640-R644 PolarHBondContact OE1-NH2 3.38Å; Q641-R644 PolarHBondContact O-N 3.46Å; F642-R644 VanDerWaalsContact C-N 3.29Å; F642-R644 PolarHBondContact O-N 3.22Å
645	G	39.7	Very low	39	Very low	62 Å²	62	116.8 Å²	116.8	64%	0.639	68%	0.684	S	S	*	*	H	α-helix	trans	-82.6	-39.4	172.9	0	0	0	0	0	113.6	Q641 F642	Q641-G645 PolarHBondContact O-N 3.46Å; Q641-G645 VanDerWaalsContact O-N 3.17Å; F642-G645 PolarHBondContact O-N 2.86Å
646	V	43	Very low	38.5	Very low	62 Å²	62	115.5 Å²	115.5	38%	0.376	68%	0.682	S	S	.	*	S	Bend	trans	-100.5	107.6	177.9	-160	0	0	0	0	109.9	F642 L648	F642-V646 HydrophobicContact CD1-CG2 4.43Å; F642-V646 HydrophobicContact CE1-CG2 4.18Å; F642-V646 HydrophobicContact CZ-CG2 4.24Å; F642-V646 PolarHBondContact O-N 3.27Å; V646-L648 HydrophobicContact CG1-CD1 3.93Å; V646-L648 HydrophobicContact CG1-CG 3.95Å; V646-L648 PolarHBondContact O-N 3.25Å
647	G	35	Very low	38.3	Very low	82 Å²	82	118 Å²	118	85%	0.845	69%	0.693	S	S	*	*			trans	-69.1	47.7	-172.1	0	0	0	0	0	117.2	R649	G647-R649 PolarHBondContact O-N 3.19Å; G647-R649 VanDerWaalsContact O-N 3.16Å
648	L	35.6	Very low	37.9	Very low	151 Å²	151	121.8 Å²	121.8	79%	0.791	70%	0.703	S	S	*	*			trans	-84.8	81.1	-177.8	-67.9	171.1	0	0	0	111.6	V646 G650	V646-L648 HydrophobicContact CG1-CD1 3.93Å; V646-L648 HydrophobicContact CG1-CG 3.95Å; V646-L648 PolarHBondContact O-N 3.25Å; L648-G650 PolarHBondContact O-N 2.8Å
649	R	36.5	Very low	37.2	Very low	248 Å²	248	123.5 Å²	123.5	94%	0.936	72%	0.716	S	S	*	*			trans	-76.3	72.4	174.8	-155.4	179.4	-163.8	-164.9	4.7	111.4	G647 S651	G647-R649 PolarHBondContact O-N 3.19Å; G647-R649 VanDerWaalsContact O-N 3.16Å; R649-S651 PolarHBondContact O-N 2.98Å
650	G	29.8	Very low	36.7	Very low	70 Å²	70	124.2 Å²	124.2	72%	0.722	72%	0.724	S	S	*	*			trans	-66	109.4	-179.2	0	0	0	0	0	113.1	L648 N652	L648-G650 PolarHBondContact O-N 2.8Å; G650-N652 PolarHBondContact O-N 3.17Å
651	S	32.7	Very low	36.4	Very low	117 Å²	117	127.1 Å²	127.1	82%	0.818	75%	0.747	S	S	*	*			trans	-86.9	96.9	177.5	56.1	0	0	0	0	111.7	R649	R649-S651 PolarHBondContact O-N 2.98Å
652	N	27.7	Very low	35.7	Very low	160 Å²	160	128.1 Å²	128.1	86%	0.856	76%	0.763	S	S	*	*			trans	-89.5	112.5	170.4	-74.4	-12.1	0	0	0	110.4	G650	G650-N652 PolarHBondContact O-N 3.17Å
653	A	26.7	Very low	34.8	Very low	102 Å²	102	129.9 Å²	129.9	84%	0.843	79%	0.786	S	S	*	*			trans	-77.9	152.7	162.8	0	0	0	0	0	110.1
654	I	31	Very low	34.4	Very low	164 Å²	164	135.3 Å²	135.3	84%	0.841	81%	0.807	S	S	*	*			trans	-89.4	132.9	-175.8	-59.1	167.7	0	0	0	110.5
655	V	30.5	Very low	33.5	Very low	212 Å²	212	130 Å²	130	100%	1.285	81%	0.814	S	S	*	*			trans	-136.3	0	143.7	-178.1	0	0	0	0	107.1

Retrieved 655 of 655 residues in 1649.8 ms (Link to these results)

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