A0A3Q0KM98_SCHMA Loading...

Cyclin N-terminal domain-containing protein

AlphaFold DB , UniProt , Accession A0A3Q0KM98, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 677 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	63.7	Low	245 Å²	245	136.6 Å²	136.6	100%	1.207	65%	0.652	S	S	*	*				0	118.4	0	-57.7	177.1	93.4	0	0	108.9	S3	M1-S3 PolarHBondContact O-N 2.81Å
2	R	39.6	Very low	64.6	Low	178 Å²	178	125.9 Å²	125.9	67%	0.672	60%	0.603	S	S	*	*			trans	-72.6	118.1	172.5	-84.3	-177.1	174.1	164	-0.2	108.6	K4 S36	R2-K4 PolarHBondContact O-N 3.28Å; R2-S36 PolarHBondContact NE-OG 3.12Å; R2-S36 PolarHBondContact NH2-O 3.11Å; R2-S36 PolarHBondContact NH2-OG 3.44Å
3	S	52.4	Low	65.4	Low	108 Å²	108	119.4 Å²	119.4	76%	0.755	57%	0.573	S	S	*	*			trans	-59	119.9	177.2	174.5	0	0	0	0	110.4	M1 K5	M1-S3 PolarHBondContact O-N 2.81Å; S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.4Å
4	K	56.6	Low	66.1	Low	205 Å²	205	115.6 Å²	115.6	89%	0.891	56%	0.557	S	S	*	*			trans	-64	94.8	168.5	-70.7	179.6	178.6	177.2	0	107.5	R2 S6	R2-K4 PolarHBondContact O-N 3.28Å; K4-S6 PolarHBondContact O-N 3.05Å
5	K	62.6	Low	66.9	Low	123 Å²	123	114.2 Å²	114.2	54%	0.535	55%	0.548	S	S	.	.			trans	-53.7	125.2	172.8	-73	-177.1	179.5	178.7	0	108	S3 R7	S3-K5 VanDerWaalsContact C-N 3.34Å; S3-K5 PolarHBondContact O-N 3.4Å; K5-R7 PolarHBondContact O-N 2.78Å
6	S	72.3	Confident	67.2	Low	61 Å²	61	107.7 Å²	107.7	43%	0.427	52%	0.517	S	S	.	.			trans	-53.9	133.7	178.9	176.2	0	0	0	0	110.3	K4 H8 K9 L10	K4-S6 PolarHBondContact O-N 3.05Å; S6-H8 PolarHBondContact O-N 2.87Å; S6-K9 WeakPolarHBondContact O-CA 3.39Å; S6-K9 WeakPolarHBondContact O-CB 3.5Å; S6-K9 PolarHBondContact O-N 2.83Å; S6-L10 PolarHBondContact O-N 3.11Å; S6-L10 VanDerWaalsContact O-N 3.14Å
7	R	76.7	Confident	67.5	Low	217 Å²	217	103.6 Å²	103.6	82%	0.819	50%	0.503	S	S	*	.	H	α-helix	trans	-53.5	-41.2	176.8	-74.4	-177.9	175.1	169.5	-3.1	110.9	K5 K9 L10 V11	K5-R7 PolarHBondContact O-N 2.78Å; R7-K9 VanDerWaalsContact C-N 3.34Å; R7-K9 PolarHBondContact O-N 3.36Å; R7-L10 WeakPolarHBondContact O-CB 3.42Å; R7-L10 PolarHBondContact O-N 3.08Å; R7-V11 WeakPolarHBondContact O-CG2 3.46Å; R7-V11 PolarHBondContact O-N 3.2Å
8	H	73.3	Confident	67.2	Low	127 Å²	127	104.4 Å²	104.4	59%	0.588	51%	0.509	S	S	*	.	H	α-helix	trans	-58.6	-40.8	175.1	-53.5	108.3	0	0	0	112.9	S6 L10 V11 A12	S6-H8 PolarHBondContact O-N 2.87Å; H8-L10 VanDerWaalsContact C-N 3.31Å; H8-L10 PolarHBondContact O-N 3.35Å; H8-V11 PolarHBondContact O-N 3.36Å; H8-A12 VanDerWaalsContact O-CB 3.32Å; H8-A12 WeakPolarHBondContact O-CB 2.9Å; H8-A12 PolarHBondContact O-N 3.4Å
9	K	76.6	Confident	67.1	Low	68 Å²	68	100.8 Å²	100.8	30%	0.296	49%	0.492	S	S	.	.	H	α-helix	trans	-65.4	-35.3	175.3	177.8	151.8	-174.5	154.5	0	111.6	S6 R7 L13 L561	S6-K9 WeakPolarHBondContact O-CA 3.39Å; S6-K9 WeakPolarHBondContact O-CB 3.5Å; S6-K9 PolarHBondContact O-N 2.83Å; R7-K9 VanDerWaalsContact C-N 3.34Å; R7-K9 PolarHBondContact O-N 3.36Å; K9-L13 HydrophobicContact CG-CD1 4.1Å; K9-L13 WeakPolarHBondContact O-CB 3.42Å; K9-L13 VanDerWaalsContact O-CG 3.22Å; K9-L13 WeakPolarHBondContact O-CG 2.9Å; K9-L13 PolarHBondContact O-N 3.49Å; K9-L561 HydrophobicContact CD-CD2 3.95Å; K9-L561 HydrophobicContact CG-CD2 3.82Å
10	L	76.6	Confident	66.5	Low	68 Å²	68	96.5 Å²	96.5	36%	0.356	47%	0.473	S	S	.	.	H	α-helix	trans	-71.3	-43	175.7	-170.5	66.3	0	0	0	111.9	S6 R7 H8 L13 N14 Y34	S6-L10 PolarHBondContact O-N 3.11Å; S6-L10 VanDerWaalsContact O-N 3.14Å; R7-L10 WeakPolarHBondContact O-CB 3.42Å; R7-L10 PolarHBondContact O-N 3.08Å; H8-L10 VanDerWaalsContact C-N 3.31Å; H8-L10 PolarHBondContact O-N 3.35Å; L10-L13 PolarHBondContact O-N 3.24Å; L10-N14 WeakPolarHBondContact O-CB 3.5Å; L10-N14 PolarHBondContact O-N 3.38Å; L10-Y34 HydrophobicContact CD1-CE2 3.97Å
11	V	77.3	Confident	65.6	Low	103 Å²	103	96.6 Å²	96.6	62%	0.624	48%	0.475	S	S	*	.	H	α-helix	trans	-60.8	-45.4	175.4	172.3	0	0	0	0	111.1	R7 H8 N14 F15	R7-V11 WeakPolarHBondContact O-CG2 3.46Å; R7-V11 PolarHBondContact O-N 3.2Å; H8-V11 PolarHBondContact O-N 3.36Å; V11-N14 WeakPolarHBondContact O-CB 3.17Å; V11-N14 PolarHBondContact O-N 3.12Å; V11-F15 PolarHBondContact O-N 2.96Å
12	A	74.9	Confident	65.9	Low	8 Å²	8	89.9 Å²	89.9	7%	0.066	44%	0.444	C	S	.	.	H	α-helix	trans	-67	-39.8	177.9	0	0	0	0	0	113.4	H8 N14 F15 L16 L561 F569	H8-A12 VanDerWaalsContact O-CB 3.32Å; H8-A12 WeakPolarHBondContact O-CB 2.9Å; H8-A12 PolarHBondContact O-N 3.4Å; A12-N14 VanDerWaalsContact C-N 3.29Å; A12-N14 PolarHBondContact O-N 2.99Å; A12-F15 PolarHBondContact O-N 3.2Å; A12-L16 WeakPolarHBondContact O-CG 3.48Å; A12-L16 PolarHBondContact O-N 2.92Å; A12-L561 HydrophobicContact CB-CD1 3.46Å; A12-L561 VanDerWaalsContact CB-CD1 3.46Å; A12-F569 HydrophobicContact CB-CE1 4.27Å; A12-F569 HydrophobicContact CB-CE2 4.5Å; A12-F569 HydrophobicContact CB-CZ 3.62Å
13	L	74.2	Confident	66.1	Low	41 Å²	41	84.1 Å²	84.1	22%	0.215	44%	0.44	C	S	.	.	H	α-helix	trans	-63.1	-36.9	171	-77	170.8	0	0	0	111.6	K9 L10 S17 L561	K9-L13 HydrophobicContact CG-CD1 4.1Å; K9-L13 WeakPolarHBondContact O-CB 3.42Å; K9-L13 VanDerWaalsContact O-CG 3.22Å; K9-L13 WeakPolarHBondContact O-CG 2.9Å; K9-L13 PolarHBondContact O-N 3.49Å; L10-L13 PolarHBondContact O-N 3.24Å; L13-S17 WeakPolarHBondContact O-CB 3.37Å; L13-S17 PolarHBondContact O-N 2.76Å; L13-L561 HydrophobicContact CD2-CB 4.26Å; L13-L561 HydrophobicContact CD2-CD2 3.95Å; L13-L561 HydrophobicContact CD2-CG 4.49Å; L13-L561 HydrophobicContact CG-CD2 3.97Å
14	N	75.8	Confident	65.5	Low	66 Å²	66	88.9 Å²	88.9	35%	0.353	44%	0.442	S	S	.	.	H	α-helix	trans	-67.2	-44.5	175.9	-161.1	37	0	0	0	111.2	L10 V11 A12 L16 S17 N18	L10-N14 WeakPolarHBondContact O-CB 3.5Å; L10-N14 PolarHBondContact O-N 3.38Å; V11-N14 WeakPolarHBondContact O-CB 3.17Å; V11-N14 PolarHBondContact O-N 3.12Å; A12-N14 VanDerWaalsContact C-N 3.29Å; A12-N14 PolarHBondContact O-N 2.99Å; N14-L16 PolarHBondContact O-N 2.73Å; N14-S17 WeakPolarHBondContact O-CB 3.44Å; N14-S17 PolarHBondContact O-N 3.26Å; N14-N18 WeakPolarHBondContact O-CB 3.05Å; N14-N18 PolarHBondContact O-N 3.36Å; N14-N18 PolarHBondContact O-ND2 3.23Å; N14-N18 PolarHBondContact O-OD1 2.91Å
15	F	77.3	Confident	64.9	Low	95 Å²	95	86.6 Å²	86.6	42%	0.417	43%	0.434	S	S	.	.	H	α-helix	trans	-55.8	-51.7	173.7	174.9	-101	0	0	0	111.6	V11 A12 S17 N18 I19 F569 L571	V11-F15 PolarHBondContact O-N 2.96Å; A12-F15 PolarHBondContact O-N 3.2Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 2.82Å; F15-N18 PolarHBondContact O-N 2.94Å; F15-I19 HydrophobicContact CD1-CD1 3.97Å; F15-I19 HydrophobicContact CD2-CD1 4.5Å; F15-I19 HydrophobicContact CE1-CD1 3.53Å; F15-I19 HydrophobicContact CE2-CD1 4.11Å; F15-I19 HydrophobicContact CG-CD1 4.45Å; F15-I19 HydrophobicContact CZ-CD1 3.62Å; F15-I19 WeakPolarHBondContact O-CG1 3.14Å; F15-I19 PolarHBondContact O-N 3.11Å; F15-F569 HydrophobicContact CD1-CD1 4.21Å; F15-F569 HydrophobicContact CD1-CE1 4.21Å; F15-F569 HydrophobicContact CE1-CD1 4.1Å; F15-L571 HydrophobicContact CE1-CD1 4.39Å
16	L	72.9	Confident	63.7	Low	10 Å²	10	87.4 Å²	87.4	5%	0.052	44%	0.44	C	S	.	.	H	α-helix	trans	-62.7	-39.5	176.6	-67.2	172.4	0	0	0	111.9	A12 N14 N18 I19 S20 E560 L561 A564	A12-L16 WeakPolarHBondContact O-CG 3.48Å; A12-L16 PolarHBondContact O-N 2.92Å; N14-L16 PolarHBondContact O-N 2.73Å; L16-N18 PolarHBondContact O-N 3.17Å; L16-I19 PolarHBondContact O-N 3.06Å; L16-S20 WeakPolarHBondContact O-CB 3.2Å; L16-S20 PolarHBondContact O-N 2.92Å; L16-E560 HydrophobicContact CD1-CG 4.29Å; L16-L561 HydrophobicContact CD1-CB 3.98Å; L16-L561 HydrophobicContact CD1-CD1 3.87Å; L16-A564 HydrophobicContact CD1-CB 4.25Å; L16-A564 HydrophobicContact CD2-CB 4.32Å
17	S	71.9	Confident	62.1	Low	39 Å²	39	91.7 Å²	91.7	27%	0.273	45%	0.453	S	S	.	.	H	α-helix	trans	-60.6	-41.6	174.6	-171	0	0	0	0	112.5	L13 N14 F15 I19 S20 L21	L13-S17 WeakPolarHBondContact O-CB 3.37Å; L13-S17 PolarHBondContact O-N 2.76Å; N14-S17 WeakPolarHBondContact O-CB 3.44Å; N14-S17 PolarHBondContact O-N 3.26Å; F15-S17 VanDerWaalsContact C-N 3.33Å; F15-S17 PolarHBondContact O-N 2.82Å; S17-I19 VanDerWaalsContact C-N 3.31Å; S17-I19 PolarHBondContact O-N 2.86Å; S17-S20 PolarHBondContact O-N 3.23Å; S17-L21 PolarHBondContact O-N 3.14Å
18	N	62.1	Low	60.6	Low	117 Å²	117	88.1 Å²	88.1	63%	0.626	44%	0.443	S	S	*	.	H	α-helix	trans	-67.6	-29.9	-179	-69.2	-11.6	0	0	0	112.6	N14 F15 L16	N14-N18 WeakPolarHBondContact O-CB 3.05Å; N14-N18 PolarHBondContact O-N 3.36Å; N14-N18 PolarHBondContact O-ND2 3.23Å; N14-N18 PolarHBondContact O-OD1 2.91Å; F15-N18 PolarHBondContact O-N 2.94Å; L16-N18 PolarHBondContact O-N 3.17Å
19	I	65.6	Low	59.2	Low	36 Å²	36	87.7 Å²	87.7	19%	0.185	45%	0.451	C	S	.	.	H	α-helix	trans	-80.8	-24.8	170.6	-49.3	163	0	0	0	110.3	F15 L16 S17 K529 L530	F15-I19 HydrophobicContact CD1-CD1 3.97Å; F15-I19 HydrophobicContact CD2-CD1 4.5Å; F15-I19 HydrophobicContact CE1-CD1 3.53Å; F15-I19 HydrophobicContact CE2-CD1 4.11Å; F15-I19 HydrophobicContact CG-CD1 4.45Å; F15-I19 HydrophobicContact CZ-CD1 3.62Å; F15-I19 WeakPolarHBondContact O-CG1 3.14Å; F15-I19 PolarHBondContact O-N 3.11Å; L16-I19 PolarHBondContact O-N 3.06Å; S17-I19 VanDerWaalsContact C-N 3.31Å; S17-I19 PolarHBondContact O-N 2.86Å; I19-K529 HydrophobicContact CG2-CB 3.76Å; I19-K529 WeakPolarHBondContact CG2-O 3.44Å; I19-L530 HydrophobicContact CD1-CD2 3.99Å; I19-L530 HydrophobicContact CG2-CD2 4.3Å
20	S	54.5	Low	57.4	Low	14 Å²	14	91.1 Å²	91.1	10%	0.098	47%	0.473	C	S	.	.	H	α-helix	trans	-97.2	-28.1	-163	-178.8	0	0	0	0	117.6	L16 S17 K529 L538	L16-S20 WeakPolarHBondContact O-CB 3.2Å; L16-S20 PolarHBondContact O-N 2.92Å; S17-S20 PolarHBondContact O-N 3.23Å; S20-K529 VanDerWaalsContact CB-NZ 3.26Å; S20-K529 WeakPolarHBondContact OG-CE 3.46Å; S20-K529 PolarHBondContact OG-NZ 2.95Å; S20-L538 WeakPolarHBondContact O-CD2 3.21Å
21	L	48.6	Very low	55.4	Low	100 Å²	100	90.9 Å²	90.9	52%	0.524	49%	0.487	S	S	.	.	S	Bend	trans	-121.4	118.2	-161.5	-74.5	162.2	0	0	0	112.8	S17 G23	S17-L21 PolarHBondContact O-N 3.14Å; L21-G23 PolarHBondContact O-N 3.19Å
22	D	42.7	Very low	53.6	Low	103 Å²	103	89.6 Å²	89.6	55%	0.551	48%	0.476	S	S	*	.			trans	59.2	-12.6	163.4	-48.7	-26.7	0	0	0	119.1	R24	D22-R24 PolarHBondContact O-N 3.4Å
23	G	43.5	Very low	51.4	Low	58 Å²	58	94 Å²	94	60%	0.598	51%	0.506	S	S	*	.	S	Bend	trans	65.6	3	-178.5	0	0	0	0	0	114.3	L21	L21-G23 PolarHBondContact O-N 3.19Å
24	R	40.4	Very low	49.3	Very low	207 Å²	207	97.8 Å²	97.8	78%	0.781	52%	0.518	S	S	*	.			trans	-92.4	101.4	172.7	-62.8	-168.4	-173.7	-154.2	3	108.9	D22 E26	D22-R24 PolarHBondContact O-N 3.4Å; R24-E26 PolarHBondContact O-N 3Å; R24-E26 VanDerWaalsContact O-N 3.14Å
25	H	42.7	Very low	47.3	Very low	157 Å²	157	102.3 Å²	102.3	73%	0.727	54%	0.537	S	S	*	.			trans	-73.8	98.9	175.7	170.5	-87	0	0	0	110.9	H27	H25-H27 AromaticContact NE2-CD2 3.65Å
26	E	37.5	Very low	45.1	Very low	141 Å²	141	101 Å²	101	66%	0.659	54%	0.539	S	S	*	.			trans	-103.9	103.6	155.2	-76.6	-162.4	155.3	0	0	109.6	R24 K28	R24-E26 PolarHBondContact O-N 3Å; R24-E26 VanDerWaalsContact O-N 3.14Å; E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 HydrophobicContact CB-CG 4.48Å; E26-K28 PolarHBondContact O-N 3.16Å; E26-K28 WeakPolarHBondContact OE2-CE 3.44Å; E26-K28 IonicContact OE2-NZ 2.73Å; E26-K28 PolarHBondContact OE2-NZ 3.08Å
27	H	40	Very low	42.9	Very low	151 Å²	151	104.7 Å²	104.7	70%	0.699	57%	0.566	S	S	*	*			trans	-72.1	81.7	173.1	-156.5	-75.3	0	0	0	109.9	H25 P29	H25-H27 AromaticContact NE2-CD2 3.65Å; H27-P29 WeakPolarHBondContact O-CD 3.34Å
28	K	43.8	Very low	40.9	Very low	142 Å²	142	107.1 Å²	107.1	62%	0.617	58%	0.579	S	S	*	*			trans	-70.5	110.8	177.8	-75.1	178.6	174.2	152.3	0	109.4	E26 N30	E26-K28 VanDerWaalsContact C-N 3.27Å; E26-K28 HydrophobicContact CB-CG 4.48Å; E26-K28 PolarHBondContact O-N 3.16Å; E26-K28 WeakPolarHBondContact OE2-CE 3.44Å; E26-K28 IonicContact OE2-NZ 2.73Å; E26-K28 PolarHBondContact OE2-NZ 3.08Å; K28-N30 PolarHBondContact O-N 2.6Å
29	P	45.3	Very low	39.2	Very low	117 Å²	117	107.3 Å²	107.3	76%	0.76	59%	0.587	S	S	*	*	S	Bend	trans	-67.4	-19.6	-177.5	28.7	-35.4	0	0	0	112.2	H27	H27-P29 WeakPolarHBondContact O-CD 3.34Å
30	N	38.3	Very low	37.3	Very low	141 Å²	141	115.9 Å²	115.9	75%	0.754	62%	0.618	S	S	*	*	S	Bend	trans	-95.4	109.5	174	-61.8	-18.4	0	0	0	108.6	K28	K28-N30 PolarHBondContact O-N 2.6Å
31	G	34.7	Very low	35.9	Very low	63 Å²	63	122.6 Å²	122.6	65%	0.649	65%	0.652	S	S	*	*			trans	-57.3	154.9	-172.2	0	0	0	0	0	114.6	S33	G31-S33 PolarHBondContact O-N 3.04Å
32	I	38.4	Very low	35	Very low	75 Å²	75	122.7 Å²	122.7	39%	0.385	66%	0.66	S	S	.	*			trans	-39.4	103.8	-172.9	-57	168.2	0	0	0	112.3	Y34	I32-Y34 HydrophobicContact CB-CE2 4.15Å; I32-Y34 HydrophobicContact CG2-CD2 4Å; I32-Y34 HydrophobicContact CG2-CE1 4.39Å; I32-Y34 HydrophobicContact CG2-CE2 3.62Å; I32-Y34 WeakPolarHBondContact O-CD2 3.23Å; I32-Y34 PolarHBondContact O-N 3.36Å
33	S	28.2	Very low	34.2	Very low	101 Å²	101	123.2 Å²	123.2	71%	0.706	67%	0.672	S	S	*	*			trans	-72.2	94.7	174.2	-174.9	0	0	0	0	109.6	G31 H35	G31-S33 PolarHBondContact O-N 3.04Å; S33-H35 PolarHBondContact O-N 3.07Å; S33-H35 VanDerWaalsContact O-N 3.12Å
34	Y	31.8	Very low	33.7	Very low	121 Å²	121	125.3 Å²	125.3	48%	0.475	68%	0.684	S	S	.	*			trans	-72.5	101.3	164.7	-72	-80.4	0	0	0	108.4	L10 I32 S36	L10-Y34 HydrophobicContact CD1-CE2 3.97Å; I32-Y34 HydrophobicContact CB-CE2 4.15Å; I32-Y34 HydrophobicContact CG2-CD2 4Å; I32-Y34 HydrophobicContact CG2-CE1 4.39Å; I32-Y34 HydrophobicContact CG2-CE2 3.62Å; I32-Y34 WeakPolarHBondContact O-CD2 3.23Å; I32-Y34 PolarHBondContact O-N 3.36Å; Y34-S36 VanDerWaalsContact C-N 3.26Å; Y34-S36 PolarHBondContact O-N 3.14Å
35	H	32.6	Very low	33.3	Very low	161 Å²	161	124.2 Å²	124.2	75%	0.745	69%	0.688	S	S	*	*			trans	-63.5	87	173.8	-131.7	-93.2	0	0	0	110.1	S33 S37	S33-H35 PolarHBondContact O-N 3.07Å; S33-H35 VanDerWaalsContact O-N 3.12Å; H35-S37 PolarHBondContact O-N 3.49Å
36	S	31.5	Very low	32.9	Very low	66 Å²	66	124.5 Å²	124.5	46%	0.462	69%	0.689	S	S	.	*			trans	-73.2	96.2	170.6	178.1	0	0	0	0	107.8	R2 Y34 V38	R2-S36 PolarHBondContact NE-OG 3.12Å; R2-S36 PolarHBondContact NH2-O 3.11Å; R2-S36 PolarHBondContact NH2-OG 3.44Å; Y34-S36 VanDerWaalsContact C-N 3.26Å; Y34-S36 PolarHBondContact O-N 3.14Å; S36-V38 VanDerWaalsContact C-N 3.32Å; S36-V38 PolarHBondContact O-N 3.05Å
37	S	27.5	Very low	32.6	Very low	88 Å²	88	125.2 Å²	125.2	62%	0.615	70%	0.698	S	S	*	*			trans	-57.2	88.8	175.7	34.1	0	0	0	0	111.9	H35	H35-S37 PolarHBondContact O-N 3.49Å
38	V	28.8	Very low	32.3	Very low	90 Å²	90	121.7 Å²	121.7	55%	0.545	70%	0.702	S	S	.	*			trans	-141.7	113	158.3	-176.1	0	0	0	0	105.4	S36 Y40	S36-V38 VanDerWaalsContact C-N 3.32Å; S36-V38 PolarHBondContact O-N 3.05Å; V38-Y40 PolarHBondContact O-N 2.99Å
39	P	26	Very low	31.7	Very low	121 Å²	121	121 Å²	121	79%	0.786	71%	0.71	S	S	*	*			trans	-69.6	119.7	175.1	28.3	-30.8	0	0	0	108.4
40	Y	27.1	Very low	30.9	Very low	217 Å²	217	124.5 Å²	124.5	85%	0.851	71%	0.713	S	S	*	*			trans	-100.7	115.9	165.9	-151.7	-92.4	0	0	0	107.4	V38	V38-Y40 PolarHBondContact O-N 2.99Å
41	I	25.3	Very low	30.6	Very low	155 Å²	155	125.7 Å²	125.7	80%	0.795	72%	0.717	S	S	*	*			trans	-82.4	126.6	-177.8	-62.7	169.6	0	0	0	108.1
42	S	29	Very low	30.1	Very low	101 Å²	101	127.9 Å²	127.9	71%	0.706	72%	0.723	S	S	*	*			trans	-137.2	88.2	166	58.5	0	0	0	0	109.9
43	S	26.5	Very low	30	Very low	114 Å²	114	129.8 Å²	129.8	80%	0.797	74%	0.74	S	S	*	*			trans	15.9	106.4	150.7	54.6	0	0	0	0	118.9
44	A	32.2	Very low	30.1	Very low	102 Å²	102	130 Å²	130	84%	0.843	74%	0.741	S	S	*	*			trans	-148.5	146.9	138.8	0	0	0	0	0	108
45	E	31.3	Very low	29.9	Very low	185 Å²	185	132.5 Å²	132.5	86%	0.864	76%	0.763	S	S	*	*			trans	-88.8	140.1	-161.6	-58.6	161.9	125.9	0	0	113.4
46	Q	34.3	Very low	29.9	Very low	163 Å²	163	129 Å²	129	76%	0.762	76%	0.757	S	S	*	*				156.8	121.3	114.5	-80.2	-168.3	18.7	0	0	112.9
47	N	33	Very low	30.1	Very low	156 Å²	156	129.3 Å²	129.3	83%	0.834	76%	0.759	S	S	*	*			trans	49.1	117.3	143.2	-55.2	-25.7	0	0	0	121.2
48	G	32.7	Very low	30.3	Very low	76 Å²	76	132.7 Å²	132.7	78%	0.784	76%	0.759	S	S	*	*			trans	161.8	46.5	163.8	0	0	0	0	0	120.7
49	T	31.6	Very low	30.6	Very low	128 Å²	128	136.1 Å²	136.1	79%	0.785	77%	0.769	S	S	*	*			trans	29.5	107.5	153.8	-49.6	0	0	0	0	121.9
50	K	27.9	Very low	31.1	Very low	191 Å²	191	135.9 Å²	135.9	83%	0.83	76%	0.758	S	S	*	*			trans	39.8	126.7	137.3	-48.3	176.3	-179.7	176.8	0	119.2
51	I	32.9	Very low	31.4	Very low	165 Å²	165	131.1 Å²	131.1	85%	0.846	74%	0.744	S	S	*	*				-172.4	146.8	80.7	-82.6	160.5	0	0	0	108.9
52	S	24.4	Very low	31.8	Very low	110 Å²	110	128.1 Å²	128.1	77%	0.769	73%	0.732	S	S	*	*			trans	-86.8	156.7	178.3	-46.1	0	0	0	0	113.6
53	P	34.5	Very low	32	Very low	115 Å²	115	127.9 Å²	127.9	75%	0.747	72%	0.723	S	S	*	*				-150.5	158.3	111.6	38.4	-22.1	0	0	0	117.8
54	S	31.3	Very low	32.5	Very low	104 Å²	104	126.7 Å²	126.7	73%	0.727	71%	0.708	S	S	*	*			trans	33.6	122.6	150.8	60.2	0	0	0	0	122.2
55	N	27.5	Very low	32.8	Very low	174 Å²	174	126.2 Å²	126.2	93%	0.93	69%	0.694	S	S	*	*			trans	-74.5	118.7	171.7	-63.9	-53.2	0	0	0	113.8
56	S	33.6	Very low	33	Very low	89 Å²	89	122.2 Å²	122.2	62%	0.622	67%	0.674	S	S	*	*			trans	-130.3	5.7	165.7	57.3	0	0	0	0	114.1	Y58	S56-Y58 PolarHBondContact O-N 3.06Å; S56-Y58 VanDerWaalsContact O-N 3.12Å
57	S	35.3	Very low	33.1	Very low	71 Å²	71	121.9 Å²	121.9	50%	0.497	67%	0.672	S	S	.	*	H	α-helix	trans	-76.2	-0	-158.2	-163.5	0	0	0	0	117.9
58	Y	31.4	Very low	33.2	Very low	159 Å²	159	122.8 Å²	122.8	62%	0.624	67%	0.671	S	S	*	*	H	α-helix	trans	-98.5	-19.4	-174.5	-78.2	-70	0	0	0	115.4	S56	S56-Y58 PolarHBondContact O-N 3.06Å; S56-Y58 VanDerWaalsContact O-N 3.12Å
59	E	35.8	Very low	33.3	Very low	162 Å²	162	124.2 Å²	124.2	76%	0.757	66%	0.66	S	S	*	*	H	α-helix	trans	-93.9	-22	172.1	-66.2	-164.9	148.9	0	0	112.4	N63	E59-N63 PolarHBondContact O-ND2 3Å
60	Q	35.3	Very low	33.4	Very low	116 Å²	116	122.4 Å²	122.4	54%	0.542	65%	0.652	S	S	.	*	H	α-helix	trans	-68.1	-52.6	172	-135.8	85.5	25.8	0	0	111	V62 N63 D64	Q60-V62 VanDerWaalsContact C-N 3.25Å; Q60-V62 PolarHBondContact O-N 3.31Å; Q60-V62 VanDerWaalsContact O-N 3.11Å; Q60-N63 CarbonylContact O-C 3.58Å; Q60-N63 WeakPolarHBondContact O-CA 3.36Å; Q60-N63 WeakPolarHBondContact O-CB 3.45Å; Q60-N63 PolarHBondContact O-N 2.76Å; Q60-D64 VanDerWaalsContact C-OD2 3.28Å; Q60-D64 WeakPolarHBondContact CG-OD2 3.12Å; Q60-D64 PolarHBondContact O-N 2.92Å; Q60-D64 VanDerWaalsContact O-OD2 3.13Å
61	Q	32.8	Very low	33.5	Very low	118 Å²	118	122.7 Å²	122.7	55%	0.551	65%	0.654	S	S	*	*	H	α-helix	trans	-65.5	-23.3	-170.7	-133.6	170.4	18.4	0	0	114.6	T65	Q61-T65 PolarHBondContact O-OG1 3.43Å
62	V	35.4	Very low	33.2	Very low	92 Å²	92	123.7 Å²	123.7	56%	0.558	66%	0.655	S	S	*	*	H	α-helix	trans	-85.8	-10.5	173.9	-178.5	0	0	0	0	112.1	Q60 F66	Q60-V62 VanDerWaalsContact C-N 3.25Å; Q60-V62 PolarHBondContact O-N 3.31Å; Q60-V62 VanDerWaalsContact O-N 3.11Å; V62-F66 HydrophobicContact CG1-CE2 4.39Å; V62-F66 WeakPolarHBondContact O-CD2 3.45Å; V62-F66 WeakPolarHBondContact O-CE2 3.49Å
63	N	33.2	Very low	33.5	Very low	95 Å²	95	124 Å²	124	51%	0.508	66%	0.657	S	S	.	*	H	α-helix	trans	-99.8	-33.7	171.1	-70.6	-47.6	0	0	0	111.7	E59 Q60 F66 H67	E59-N63 PolarHBondContact O-ND2 3Å; Q60-N63 CarbonylContact O-C 3.58Å; Q60-N63 WeakPolarHBondContact O-CA 3.36Å; Q60-N63 WeakPolarHBondContact O-CB 3.45Å; Q60-N63 PolarHBondContact O-N 2.76Å; N63-F66 WeakPolarHBondContact O-CB 3.06Å; N63-F66 PolarHBondContact O-N 3.03Å; N63-F66 VanDerWaalsContact O-N 3.08Å; N63-H67 PolarHBondContact O-N 2.81Å
64	D	35.3	Very low	33	Very low	90 Å²	90	125.6 Å²	125.6	48%	0.481	67%	0.665	S	S	.	*	H	α-helix	trans	-68.3	-41.1	-176.5	-60.5	-31.2	0	0	0	112.1	Q60 F66 H67	Q60-D64 VanDerWaalsContact C-OD2 3.28Å; Q60-D64 WeakPolarHBondContact CG-OD2 3.12Å; Q60-D64 PolarHBondContact O-N 2.92Å; Q60-D64 VanDerWaalsContact O-OD2 3.13Å; D64-F66 PolarHBondContact O-N 3.04Å; D64-H67 PolarHBondContact O-N 2.99Å
65	T	39	Very low	32.8	Very low	91 Å²	91	124.8 Å²	124.8	56%	0.558	66%	0.659	S	S	*	*	H	α-helix	trans	-66.4	-18.4	171.9	-51.3	0	0	0	0	113.1	Q61	Q61-T65 PolarHBondContact O-OG1 3.43Å
66	F	36.8	Very low	32.7	Very low	102 Å²	102	122.6 Å²	122.6	45%	0.447	65%	0.652	S	S	.	*	H	α-helix	trans	-89.2	-21.1	-179.8	-80.7	-109.4	0	0	0	112.9	V62 N63 D64 E68 Y539	V62-F66 HydrophobicContact CG1-CE2 4.39Å; V62-F66 WeakPolarHBondContact O-CD2 3.45Å; V62-F66 WeakPolarHBondContact O-CE2 3.49Å; N63-F66 WeakPolarHBondContact O-CB 3.06Å; N63-F66 PolarHBondContact O-N 3.03Å; N63-F66 VanDerWaalsContact O-N 3.08Å; D64-F66 PolarHBondContact O-N 3.04Å; F66-E68 VanDerWaalsContact C-N 3.33Å; F66-E68 PolarHBondContact O-N 2.8Å; F66-Y539 HydrophobicContact CD1-CD2 4.41Å; F66-Y539 AromaticContact CE1-CD2 3.91Å; F66-Y539 HydrophobicContact CE1-CD2 3.91Å; F66-Y539 HydrophobicContact CE1-CE2 4.25Å
67	H	34.5	Very low	32.4	Very low	156 Å²	156	125.4 Å²	125.4	72%	0.722	66%	0.66	S	S	*	*	H	α-helix	trans	-75.6	-22.1	-178.8	-126.3	-59.2	0	0	0	113.5	N63 D64 S70	N63-H67 PolarHBondContact O-N 2.81Å; D64-H67 PolarHBondContact O-N 2.99Å; H67-S70 PolarHBondContact O-OG 2.95Å
68	E	35.5	Very low	32.1	Very low	174 Å²	174	131.7 Å²	131.7	81%	0.813	68%	0.679	S	S	*	*	G	3₁₀ helix	trans	-85.6	-17.8	-176	-151.4	162.7	-144.4	0	0	113.5	F66 S70	F66-E68 VanDerWaalsContact C-N 3.33Å; F66-E68 PolarHBondContact O-N 2.8Å; E68-S70 PolarHBondContact O-N 3.42Å
69	I	35.7	Very low	31.9	Very low	107 Å²	107	129.9 Å²	129.9	55%	0.549	69%	0.689	S	S	.	*	G	3₁₀ helix	trans	-81.1	-3.9	179.1	-60.5	173.5	0	0	0	112.1	K71	I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.03Å
70	S	32.8	Very low	31.8	Very low	89 Å²	89	126 Å²	126	62%	0.622	69%	0.692	S	S	*	*	G	3₁₀ helix	trans	-81.4	5	-170.9	-56	0	0	0	0	115.8	H67 E68	H67-S70 PolarHBondContact O-OG 2.95Å; E68-S70 PolarHBondContact O-N 3.42Å
71	K	29.8	Very low	31.5	Very low	198 Å²	198	125.2 Å²	125.2	86%	0.861	70%	0.695	S	S	*	*	G	3₁₀ helix	trans	-127.9	-0.1	-165.8	-82.4	-171.8	175	-179.9	0	117.6	I69	I69-K71 VanDerWaalsContact C-N 3.32Å; I69-K71 PolarHBondContact O-N 3.03Å
72	E	28.1	Very low	31.3	Very low	185 Å²	185	122.9 Å²	122.9	86%	0.864	69%	0.691	S	S	*	*			trans	-140.7	85	-172.6	-140.5	169.8	-150.1	0	0	113.7
73	S	28.9	Very low	31.3	Very low	117 Å²	117	127.3 Å²	127.3	82%	0.818	70%	0.702	S	S	*	*			trans	-156.5	92.7	162.7	66.5	0	0	0	0	111.5
74	V	25	Very low	31.5	Very low	149 Å²	149	127.4 Å²	127.4	90%	0.903	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-73.5	125.8	169.5	176.5	0	0	0	0	108.7
75	S	26.2	Very low	31.7	Very low	87 Å²	87	126.9 Å²	126.9	61%	0.608	70%	0.699	S	S	*	*	P	Polyproline II helix	trans	-91	121.4	-179.2	69.4	0	0	0	0	112.3	N77	S75-N77 PolarHBondContact O-N 3.35Å
76	T	26.8	Very low	31.3	Very low	128 Å²	128	127.1 Å²	127.1	79%	0.785	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-77.6	117.7	165.9	41.6	0	0	0	0	110.2
77	N	26.7	Very low	31.4	Very low	147 Å²	147	123.6 Å²	123.6	79%	0.786	69%	0.685	S	S	*	*			trans	-88.2	115.4	179.9	-71.4	-47.4	0	0	0	110.7	S75	S75-N77 PolarHBondContact O-N 3.35Å
78	F	29.7	Very low	31.7	Very low	203 Å²	203	116.6 Å²	116.6	89%	0.89	65%	0.654	S	S	*	*			trans	-98.3	119.5	157.7	-81.5	-85.4	0	0	0	108.8
79	S	27.3	Very low	31.9	Very low	121 Å²	121	112.3 Å²	112.3	85%	0.846	64%	0.639	S	S	*	*			trans	-84.6	153.3	177.4	54.2	0	0	0	0	111.7
80	G	33.1	Very low	32.4	Very low	80 Å²	80	113.1 Å²	113.1	83%	0.825	64%	0.638	S	S	*	*	S	Bend	trans	110	-21	162.3	0	0	0	0	0	118
81	V	28.7	Very low	32.8	Very low	100 Å²	100	109.2 Å²	109.2	61%	0.606	61%	0.611	S	S	*	*	S	Bend	trans	-114.5	132.9	-176.3	-174.4	0	0	0	0	112	K83	V81-K83 PolarHBondContact O-N 3.01Å
82	P	29.8	Very low	33.5	Very low	70 Å²	70	102.1 Å²	102.1	46%	0.455	58%	0.584	S	S	.	*			trans	-58	125.4	173.2	-23.5	33.5	0	0	0	111.9	N84 I85	P82-N84 WeakPolarHBondContact CB-OD1 3.48Å; P82-N84 PolarHBondContact O-N 3.46Å; P82-I85 HydrophobicContact CB-CD1 4.27Å; P82-I85 HydrophobicContact CB-CG1 4.36Å; P82-I85 HydrophobicContact CG-CD1 4.11Å; P82-I85 PolarHBondContact O-N 3.22Å
83	K	33.8	Very low	34.2	Very low	184 Å²	184	99 Å²	99	80%	0.8	57%	0.57	S	S	*	*	H	α-helix	trans	-53.3	-32.8	-174	-68.2	-178.8	176.6	-179.9	0	113.6	V81 I85 L86 S87	V81-K83 PolarHBondContact O-N 3.01Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 3.4Å; K83-L86 PolarHBondContact O-N 3.4Å; K83-S87 WeakPolarHBondContact O-CB 3.44Å; K83-S87 PolarHBondContact O-N 3.05Å; K83-S87 VanDerWaalsContact O-N 3.14Å; K83-S87 PolarHBondContact O-OG 3.12Å
84	N	38.3	Very low	34.9	Very low	97 Å²	97	95.6 Å²	95.6	52%	0.519	54%	0.543	S	S	.	.	H	α-helix	trans	-72.1	-14	179	51	-48.7	0	0	0	115.3	P82 S87	P82-N84 WeakPolarHBondContact CB-OD1 3.48Å; P82-N84 PolarHBondContact O-N 3.46Å; N84-S87 WeakPolarHBondContact CA-OG 3.22Å; N84-S87 PolarHBondContact O-OG 3.27Å
85	I	38.5	Very low	35.8	Very low	79 Å²	79	89 Å²	89	41%	0.405	50%	0.501	S	S	.	.	H	α-helix	trans	-88.7	-46.1	170.7	-62	176.4	0	0	0	109.4	P82 K83 S87 S88 V89	P82-I85 HydrophobicContact CB-CD1 4.27Å; P82-I85 HydrophobicContact CB-CG1 4.36Å; P82-I85 HydrophobicContact CG-CD1 4.11Å; P82-I85 PolarHBondContact O-N 3.22Å; K83-I85 VanDerWaalsContact C-N 3.34Å; K83-I85 PolarHBondContact O-N 3.4Å; I85-S87 VanDerWaalsContact C-N 3.25Å; I85-S87 PolarHBondContact O-N 3.35Å; I85-S88 WeakPolarHBondContact O-CB 3.35Å; I85-S88 PolarHBondContact O-N 3.15Å; I85-V89 PolarHBondContact O-N 2.86Å; I85-V89 VanDerWaalsContact O-N 3.1Å
86	L	31.8	Very low	36.4	Very low	96 Å²	96	87.7 Å²	87.7	50%	0.503	50%	0.496	S	S	.	.	H	α-helix	trans	-59.9	-36.4	179.5	-177.2	62.7	0	0	0	112.4	K83 K90	K83-L86 PolarHBondContact O-N 3.4Å; L86-K90 WeakPolarHBondContact O-CG 3.32Å; L86-K90 PolarHBondContact O-N 2.91Å; L86-K90 VanDerWaalsContact O-N 3.15Å
87	S	39.5	Very low	37	Very low	28 Å²	28	86.6 Å²	86.6	20%	0.196	49%	0.485	C	S	.	.	H	α-helix	trans	-69.9	-41.5	176.3	59.6	0	0	0	0	112.7	K83 N84 I85 V89 K90 C91 D491	K83-S87 WeakPolarHBondContact O-CB 3.44Å; K83-S87 PolarHBondContact O-N 3.05Å; K83-S87 VanDerWaalsContact O-N 3.14Å; K83-S87 PolarHBondContact O-OG 3.12Å; N84-S87 WeakPolarHBondContact CA-OG 3.22Å; N84-S87 PolarHBondContact O-OG 3.27Å; I85-S87 VanDerWaalsContact C-N 3.25Å; I85-S87 PolarHBondContact O-N 3.35Å; S87-V89 VanDerWaalsContact C-N 3.33Å; S87-V89 PolarHBondContact O-N 2.93Å; S87-K90 PolarHBondContact O-N 3.34Å; S87-C91 VanDerWaalsContact O-CB 3.23Å; S87-C91 WeakPolarHBondContact O-CB 3.43Å; S87-C91 PolarHBondContact O-N 2.94Å; S87-D491 VanDerWaalsContact CB-OD1 3.25Å; S87-D491 WeakPolarHBondContact CB-OD1 3.31Å; S87-D491 VanDerWaalsContact CB-OD2 3.23Å; S87-D491 WeakPolarHBondContact CB-OD2 3.49Å; S87-D491 VanDerWaalsContact OG-CG 3.31Å; S87-D491 PolarHBondContact OG-OD1 2.62Å; S87-D491 PolarHBondContact OG-OD2 3.21Å
88	S	40.7	Very low	37.4	Very low	10 Å²	10	82 Å²	82	7%	0.07	46%	0.463	C	S	.	.	H	α-helix	trans	-59.3	-41.3	173.5	-167.2	0	0	0	0	112.4	I85 C91 T92	I85-S88 WeakPolarHBondContact O-CB 3.35Å; I85-S88 PolarHBondContact O-N 3.15Å; S88-C91 WeakPolarHBondContact O-CB 3.42Å; S88-C91 PolarHBondContact O-N 3.5Å; S88-T92 PolarHBondContact O-N 2.98Å; S88-T92 VanDerWaalsContact O-N 3.07Å; S88-T92 PolarHBondContact O-OG1 2.69Å
89	V	39.1	Very low	38	Very low	83 Å²	83	74.9 Å²	74.9	50%	0.503	44%	0.435	S	S	.	.	H	α-helix	trans	-67.9	-46	178.6	175.7	0	0	0	0	111.4	I85 S87 C91 T92 Q93	I85-V89 PolarHBondContact O-N 2.86Å; I85-V89 VanDerWaalsContact O-N 3.1Å; S87-V89 VanDerWaalsContact C-N 3.33Å; S87-V89 PolarHBondContact O-N 2.93Å; V89-C91 VanDerWaalsContact C-N 3.26Å; V89-C91 PolarHBondContact O-N 3.49Å; V89-T92 PolarHBondContact O-N 2.84Å; V89-Q93 WeakPolarHBondContact O-CB 3.35Å; V89-Q93 PolarHBondContact O-N 2.95Å
90	K	45.3	Very low	38.5	Very low	124 Å²	124	71.9 Å²	71.9	54%	0.539	41%	0.414	S	S	.	.	H	α-helix	trans	-58.3	-40.9	174.3	-75.2	-179.4	177.5	-169.7	0	112	L86 S87 Q93 N94	L86-K90 WeakPolarHBondContact O-CG 3.32Å; L86-K90 PolarHBondContact O-N 2.91Å; L86-K90 VanDerWaalsContact O-N 3.15Å; S87-K90 PolarHBondContact O-N 3.34Å; K90-Q93 PolarHBondContact O-N 3.14Å; K90-N94 WeakPolarHBondContact O-CB 3.37Å; K90-N94 PolarHBondContact O-N 3.07Å
91	C	41.9	Very low	38.5	Very low	8 Å²	8	74.1 Å²	74.1	5%	0.054	40%	0.401	C	S	.	.	H	α-helix	trans	-58.7	-55.7	176.6	-173.7	0	0	0	0	111.3	S87 S88 V89 Q93 N94 Y95 N531	S87-C91 VanDerWaalsContact O-CB 3.23Å; S87-C91 WeakPolarHBondContact O-CB 3.43Å; S87-C91 PolarHBondContact O-N 2.94Å; S88-C91 WeakPolarHBondContact O-CB 3.42Å; S88-C91 PolarHBondContact O-N 3.5Å; V89-C91 VanDerWaalsContact C-N 3.26Å; V89-C91 PolarHBondContact O-N 3.49Å; C91-Q93 VanDerWaalsContact C-N 3.28Å; C91-Q93 PolarHBondContact O-N 3.5Å; C91-N94 PolarHBondContact O-N 3.39Å; C91-N94 VanDerWaalsContact O-N 3.15Å; C91-Y95 WeakPolarHBondContact O-CD2 3.18Å; C91-Y95 PolarHBondContact O-N 3.26Å; C91-N531 PolarHBondContact SG-OD1 3.08Å
92	T	43.6	Very low	38.9	Very low	48 Å²	48	72.3 Å²	72.3	29%	0.294	39%	0.39	S	S	.	.	H	α-helix	trans	-57.1	-40.7	177.1	-57.4	0	0	0	0	112.3	S88 V89 Y95 A96	S88-T92 PolarHBondContact O-N 2.98Å; S88-T92 VanDerWaalsContact O-N 3.07Å; S88-T92 PolarHBondContact O-OG1 2.69Å; V89-T92 PolarHBondContact O-N 2.84Å; T92-Y95 PolarHBondContact O-N 2.89Å; T92-A96 PolarHBondContact O-N 3.39Å
93	Q	43.2	Very low	39.2	Very low	120 Å²	120	73.3 Å²	73.3	56%	0.561	39%	0.391	S	S	*	.	H	α-helix	trans	-66	-39	178	-167.4	168.4	9.5	0	0	112.6	V89 K90 C91 A96 L97	V89-Q93 WeakPolarHBondContact O-CB 3.35Å; V89-Q93 PolarHBondContact O-N 2.95Å; K90-Q93 PolarHBondContact O-N 3.14Å; C91-Q93 VanDerWaalsContact C-N 3.28Å; C91-Q93 PolarHBondContact O-N 3.5Å; Q93-A96 PolarHBondContact O-N 3.24Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 2.9Å; Q93-L97 VanDerWaalsContact O-N 3.07Å
94	N	43.9	Very low	39.5	Very low	46 Å²	46	67.9 Å²	67.9	25%	0.246	37%	0.374	C	S	.	.	H	α-helix	trans	-64.5	-39.2	173	-79.2	-3.3	0	0	0	112.2	K90 C91 L97 C98 D532	K90-N94 WeakPolarHBondContact O-CB 3.37Å; K90-N94 PolarHBondContact O-N 3.07Å; C91-N94 PolarHBondContact O-N 3.39Å; C91-N94 VanDerWaalsContact O-N 3.15Å; N94-L97 PolarHBondContact O-N 3.25Å; N94-C98 WeakPolarHBondContact O-CB 3.42Å; N94-C98 PolarHBondContact O-N 3.41Å; N94-D532 PolarHBondContact ND2-OD2 2.93Å
95	Y	44.3	Very low	39.4	Very low	10 Å²	10	67.7 Å²	67.7	4%	0.039	37%	0.37	C	S	.	.	H	α-helix	trans	-61.3	-44.8	173.3	-92	-95.6	0	0	0	112.2	C91 T92 L97 C98 N99 W493 H497 N531 I572 I578	C91-Y95 WeakPolarHBondContact O-CD2 3.18Å; C91-Y95 PolarHBondContact O-N 3.26Å; T92-Y95 PolarHBondContact O-N 2.89Å; Y95-L97 VanDerWaalsContact C-N 3.33Å; Y95-L97 PolarHBondContact O-N 3.02Å; Y95-C98 PolarHBondContact O-N 3.45Å; Y95-N99 WeakPolarHBondContact O-CB 3.28Å; Y95-N99 PolarHBondContact O-N 3.3Å; Y95-N99 PolarHBondContact O-ND2 3.44Å; Y95-W493 AromaticContact CD2-NE1 3.74Å; Y95-W493 AromaticContact CE2-CD1 3.73Å; Y95-W493 AromaticContact CE2-NE1 3.04Å; Y95-W493 AromaticContact CZ-NE1 3.39Å; Y95-W493 PolarHBondContact OH-NE1 2.92Å; Y95-H497 WeakPolarHBondContact OH-CB 3.23Å; Y95-H497 PolarHBondContact OH-CD2 3.45Å; Y95-H497 PolarHBondContact OH-CE1 2.95Å; Y95-H497 PolarHBondContact OH-ND1 3.14Å; Y95-H497 PolarHBondContact OH-NE2 2.87Å; Y95-N531 VanDerWaalsContact CE2-OD1 3.23Å; Y95-N531 WeakPolarHBondContact CE2-OD1 3.42Å; Y95-I572 HydrophobicContact CD1-CG2 3.65Å; Y95-I572 HydrophobicContact CE1-CG2 3.73Å; Y95-I578 HydrophobicContact CE1-CD1 3.75Å
96	A	39.5	Very low	39.3	Very low	60 Å²	60	69.3 Å²	69.3	50%	0.496	38%	0.379	S	S	.	.	H	α-helix	trans	-61.6	-40	177.5	0	0	0	0	0	112.6	T92 Q93 S100	T92-A96 PolarHBondContact O-N 3.39Å; Q93-A96 PolarHBondContact O-N 3.24Å; A96-S100 PolarHBondContact O-N 3.45Å; A96-S100 PolarHBondContact O-OG 3.4Å
97	L	39.2	Very low	39.3	Very low	105 Å²	105	71 Å²	71	55%	0.55	38%	0.384	S	S	.	.	H	α-helix	trans	-69.8	-37.8	175.1	-70.7	172.1	0	0	0	112.7	Q93 N94 Y95 S100 F101	Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 2.9Å; Q93-L97 VanDerWaalsContact O-N 3.07Å; N94-L97 PolarHBondContact O-N 3.25Å; Y95-L97 VanDerWaalsContact C-N 3.33Å; Y95-L97 PolarHBondContact O-N 3.02Å; L97-S100 PolarHBondContact O-OG 2.88Å; L97-S100 VanDerWaalsContact O-OG 3.12Å; L97-F101 WeakPolarHBondContact O-CB 3.43Å; L97-F101 PolarHBondContact O-N 2.84Å; L97-F101 VanDerWaalsContact O-N 3.07Å
98	C	35	Very low	39.2	Very low	49 Å²	49	75.3 Å²	75.3	33%	0.331	41%	0.405	S	S	.	.	H	α-helix	trans	-73.9	-38	-178.8	-144	0	0	0	0	111.7	N94 Y95 F101 V102 I572	N94-C98 WeakPolarHBondContact O-CB 3.42Å; N94-C98 PolarHBondContact O-N 3.41Å; Y95-C98 PolarHBondContact O-N 3.45Å; C98-F101 PolarHBondContact O-N 2.81Å; C98-V102 WeakPolarHBondContact O-CG2 2.98Å; C98-V102 PolarHBondContact O-N 3.26Å; C98-I572 HydrophobicContact CB-CD1 3.88Å; C98-I572 WeakPolarHBondContact SG-CD1 3.31Å
99	N	41.3	Very low	38.9	Very low	54 Å²	54	81.3 Å²	81.3	29%	0.289	44%	0.436	S	S	.	.	H	α-helix	trans	-60.5	-50.5	171.7	-72.8	-18.8	0	0	0	111.2	Y95 F101 V102 D103 I572	Y95-N99 WeakPolarHBondContact O-CB 3.28Å; Y95-N99 PolarHBondContact O-N 3.3Å; Y95-N99 PolarHBondContact O-ND2 3.44Å; N99-F101 VanDerWaalsContact C-N 3.27Å; N99-F101 PolarHBondContact O-N 3.19Å; N99-V102 PolarHBondContact O-N 3.4Å; N99-V102 VanDerWaalsContact O-N 3.11Å; N99-D103 WeakPolarHBondContact O-CB 3.38Å; N99-D103 VanDerWaalsContact O-CG 3.32Å; N99-D103 PolarHBondContact O-N 3.49Å; N99-I572 WeakPolarHBondContact OD1-CG2 3.22Å
100	S	38.3	Very low	38.6	Very low	59 Å²	59	84.3 Å²	84.3	41%	0.413	45%	0.448	S	S	.	.	H	α-helix	trans	-63.3	-31.6	179.4	66.7	0	0	0	0	113.2	A96 L97 T104	A96-S100 PolarHBondContact O-N 3.45Å; A96-S100 PolarHBondContact O-OG 3.4Å; L97-S100 PolarHBondContact O-OG 2.88Å; L97-S100 VanDerWaalsContact O-OG 3.12Å; S100-T104 WeakPolarHBondContact O-CB 3.42Å; S100-T104 VanDerWaalsContact O-CG2 3.3Å; S100-T104 WeakPolarHBondContact O-CG2 3.43Å; S100-T104 PolarHBondContact O-N 2.86Å; S100-T104 PolarHBondContact O-OG1 3.33Å
101	F	33.7	Very low	37.7	Very low	127 Å²	127	82.5 Å²	82.5	56%	0.557	45%	0.451	S	S	*	.	H	α-helix	trans	-70.3	-39.1	173.2	-169.2	-99	0	0	0	113.1	L97 C98 N99 T104 H105	L97-F101 WeakPolarHBondContact O-CB 3.43Å; L97-F101 PolarHBondContact O-N 2.84Å; L97-F101 VanDerWaalsContact O-N 3.07Å; C98-F101 PolarHBondContact O-N 2.81Å; N99-F101 VanDerWaalsContact C-N 3.27Å; N99-F101 PolarHBondContact O-N 3.19Å; F101-T104 WeakPolarHBondContact CA-OG1 3.4Å; F101-T104 PolarHBondContact O-OG1 3.48Å; F101-T104 VanDerWaalsContact O-OG1 3.13Å; F101-H105 AromaticContact CD1-CD2 3.92Å; F101-H105 AromaticContact CE1-CD2 3.43Å; F101-H105 VanDerWaalsContact CE1-CD2 3.43Å; F101-H105 WeakPolarHBondContact CE1-CD2 3.3Å; F101-H105 AromaticContact CE1-NE2 3.75Å; F101-H105 AromaticContact CE2-CD2 3.8Å; F101-H105 AromaticContact CE2-NE2 3.77Å; F101-H105 AromaticContact CZ-CD2 3.37Å; F101-H105 WeakPolarHBondContact CZ-CD2 3.07Å; F101-H105 AromaticContact CZ-NE2 3.25Å; F101-H105 VanDerWaalsContact CZ-NE2 3.25Å; F101-H105 WeakPolarHBondContact CZ-NE2 3.39Å; F101-H105 WeakPolarHBondContact O-CB 3.49Å; F101-H105 PolarHBondContact O-CD2 2.93Å; F101-H105 PolarHBondContact O-N 3Å
102	V	36.1	Very low	37.2	Very low	62 Å²	62	89 Å²	89	38%	0.376	48%	0.481	S	S	.	.	H	α-helix	trans	-69.8	-43.6	175.9	171.1	0	0	0	0	111.2	C98 N99 H105 L106 I572	C98-V102 WeakPolarHBondContact O-CG2 2.98Å; C98-V102 PolarHBondContact O-N 3.26Å; N99-V102 PolarHBondContact O-N 3.4Å; N99-V102 VanDerWaalsContact O-N 3.11Å; V102-H105 CarbonylContact O-C 3.15Å; V102-H105 PolarHBondContact O-N 2.67Å; V102-L106 HydrophobicContact CG1-CD1 4.24Å; V102-L106 PolarHBondContact O-N 3.2Å; V102-I572 HydrophobicContact CG2-CD1 4.11Å
103	D	35.6	Very low	36.5	Very low	90 Å²	90	93.7 Å²	93.7	48%	0.481	51%	0.509	S	S	.	.	H	α-helix	trans	-62.6	-48.2	177.4	-68.5	-30.2	0	0	0	110.8	N99 H105 L106 Q107	N99-D103 WeakPolarHBondContact O-CB 3.38Å; N99-D103 VanDerWaalsContact O-CG 3.32Å; N99-D103 PolarHBondContact O-N 3.49Å; D103-H105 VanDerWaalsContact C-N 3.3Å; D103-H105 PolarHBondContact O-N 2.87Å; D103-L106 PolarHBondContact O-N 2.66Å; D103-Q107 PolarHBondContact O-N 3.48Å; D103-Q107 PolarHBondContact O-OE1 3.2Å; D103-Q107 VanDerWaalsContact O-OE1 3.07Å
104	T	40.9	Very low	35.6	Very low	71 Å²	71	95.7 Å²	95.7	44%	0.436	52%	0.516	S	S	.	.	H	α-helix	trans	-61.5	-35.9	175.4	49.2	0	0	0	0	112.7	S100 F101 N108	S100-T104 WeakPolarHBondContact O-CB 3.42Å; S100-T104 VanDerWaalsContact O-CG2 3.3Å; S100-T104 WeakPolarHBondContact O-CG2 3.43Å; S100-T104 PolarHBondContact O-N 2.86Å; S100-T104 PolarHBondContact O-OG1 3.33Å; F101-T104 WeakPolarHBondContact CA-OG1 3.4Å; F101-T104 PolarHBondContact O-OG1 3.48Å; F101-T104 VanDerWaalsContact O-OG1 3.13Å; T104-N108 WeakPolarHBondContact O-CB 3.32Å; T104-N108 PolarHBondContact O-N 3.22Å; T104-N108 PolarHBondContact O-ND2 3.42Å; T104-N108 VanDerWaalsContact O-ND2 3.09Å
105	H	36.1	Very low	34.9	Very low	92 Å²	92	99.4 Å²	99.4	43%	0.426	54%	0.543	S	S	.	.	H	α-helix	trans	-72.2	-25.6	172.7	-94.3	-74.8	0	0	0	114.3	F101 V102 D103 N109	F101-H105 AromaticContact CD1-CD2 3.92Å; F101-H105 AromaticContact CE1-CD2 3.43Å; F101-H105 VanDerWaalsContact CE1-CD2 3.43Å; F101-H105 WeakPolarHBondContact CE1-CD2 3.3Å; F101-H105 AromaticContact CE1-NE2 3.75Å; F101-H105 AromaticContact CE2-CD2 3.8Å; F101-H105 AromaticContact CE2-NE2 3.77Å; F101-H105 AromaticContact CZ-CD2 3.37Å; F101-H105 WeakPolarHBondContact CZ-CD2 3.07Å; F101-H105 AromaticContact CZ-NE2 3.25Å; F101-H105 VanDerWaalsContact CZ-NE2 3.25Å; F101-H105 WeakPolarHBondContact CZ-NE2 3.39Å; F101-H105 WeakPolarHBondContact O-CB 3.49Å; F101-H105 PolarHBondContact O-CD2 2.93Å; F101-H105 PolarHBondContact O-N 3Å; V102-H105 CarbonylContact O-C 3.15Å; V102-H105 PolarHBondContact O-N 2.67Å; D103-H105 VanDerWaalsContact C-N 3.3Å; D103-H105 PolarHBondContact O-N 2.87Å; H105-N109 PolarHBondContact O-ND2 3.22Å
106	L	35.9	Very low	34	Very low	113 Å²	113	108.4 Å²	108.4	59%	0.592	58%	0.582	S	S	*	*	H	α-helix	trans	-74.9	-47	170.1	-104.2	74.4	0	0	0	111.5	V102 D103 N108 N109	V102-L106 HydrophobicContact CG1-CD1 4.24Å; V102-L106 PolarHBondContact O-N 3.2Å; D103-L106 PolarHBondContact O-N 2.66Å; L106-N108 PolarHBondContact O-N 2.68Å; L106-N109 PolarHBondContact O-N 3Å
107	Q	32.7	Very low	33.4	Very low	133 Å²	133	112.4 Å²	112.4	62%	0.621	60%	0.6	S	S	*	*	H	α-helix	trans	-59.1	-45.7	176.9	-111	87.4	4.5	0	0	112	D103 N109 I110	D103-Q107 PolarHBondContact O-N 3.48Å; D103-Q107 PolarHBondContact O-OE1 3.2Å; D103-Q107 VanDerWaalsContact O-OE1 3.07Å; Q107-N109 PolarHBondContact O-N 3.37Å; Q107-I110 PolarHBondContact O-N 2.81Å
108	N	36.1	Very low	32.8	Very low	118 Å²	118	112.9 Å²	112.9	63%	0.631	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-14.8	-175.9	-71.7	-24.4	0	0	0	114	T104 L106	T104-N108 WeakPolarHBondContact O-CB 3.32Å; T104-N108 PolarHBondContact O-N 3.22Å; T104-N108 PolarHBondContact O-ND2 3.42Å; T104-N108 VanDerWaalsContact O-ND2 3.09Å; L106-N108 PolarHBondContact O-N 2.68Å
109	N	35	Very low	32.4	Very low	135 Å²	135	117.7 Å²	117.7	72%	0.722	63%	0.633	S	S	*	*	T	Hydrogen-bonded Turn	trans	-89.7	0.6	175.8	-83.8	-61.2	0	0	0	114	H105 L106 Q107	H105-N109 PolarHBondContact O-ND2 3.22Å; L106-N109 PolarHBondContact O-N 3Å; Q107-N109 PolarHBondContact O-N 3.37Å
110	I	32.9	Very low	31.7	Very low	146 Å²	146	121.1 Å²	121.1	75%	0.749	66%	0.658	S	S	*	*	S	Bend	trans	-101.6	-6.4	-179.8	-67.5	175	0	0	0	112.4	Q107	Q107-I110 PolarHBondContact O-N 2.81Å
111	S	27.1	Very low	31.1	Very low	86 Å²	86	125.5 Å²	125.5	60%	0.601	68%	0.677	S	S	*	*	S	Bend	trans	-131.7	150	-176.9	-63.5	0	0	0	0	113.2
112	Q	31.7	Very low	30.8	Very low	146 Å²	146	126.4 Å²	126.4	68%	0.682	69%	0.693	S	S	*	*			trans	83.6	80.7	169.9	-51.6	-177.1	15.2	0	0	118.1	F114	Q112-F114 HydrophobicContact CB-CE2 4.39Å; Q112-F114 HydrophobicContact CB-CZ 4.4Å
113	T	27.4	Very low	30.2	Very low	146 Å²	146	128.6 Å²	128.6	90%	0.896	71%	0.711	S	S	*	*			trans	-64.6	118.5	140.4	43.9	0	0	0	0	110.3
114	F	25.8	Very low	29.9	Very low	162 Å²	162	129.2 Å²	129.2	71%	0.711	72%	0.722	S	S	*	*			trans	-80.3	160.8	175.8	-69.4	-84.1	0	0	0	112.9	Q112	Q112-F114 HydrophobicContact CB-CE2 4.39Å; Q112-F114 HydrophobicContact CB-CZ 4.4Å
115	P	28.1	Very low	29.1	Very low	123 Å²	123	130.8 Å²	130.8	80%	0.799	74%	0.736	S	S	*	*				-142.4	120.1	103	34.8	-19.5	0	0	0	116.6
116	K	26.1	Very low	28.8	Very low	199 Å²	199	136.6 Å²	136.6	87%	0.865	76%	0.756	S	S	*	*				50.4	91.1	124.7	-157	-177.4	-167.6	-176.4	0	119.8
117	V	26.3	Very low	28.3	Very low	145 Å²	145	136.2 Å²	136.2	88%	0.879	76%	0.758	S	S	*	*			trans	-137.3	156.9	152.2	-177.5	0	0	0	0	110.1
118	S	27.7	Very low	28	Very low	115 Å²	115	136 Å²	136	80%	0.804	77%	0.766	S	S	*	*			trans	-79.1	161.5	-161.3	-44.5	0	0	0	0	117.5
119	I	25.8	Very low	27.7	Very low	149 Å²	149	138 Å²	138	76%	0.764	78%	0.777	S	S	*	*			trans	-73.5	160.6	175.2	-18.9	178.3	0	0	0	112
120	P	26.6	Very low	27.2	Very low	126 Å²	126	136.7 Å²	136.7	82%	0.818	77%	0.773	S	S	*	*				-142.5	170.5	88.7	35.5	-17.8	0	0	0	116.5
121	N	25.1	Very low	27.1	Very low	151 Å²	151	138.5 Å²	138.5	81%	0.807	78%	0.779	S	S	*	*			trans	-58.4	145.5	-174.1	-65.4	-21.4	0	0	0	115.9
122	V	27.7	Very low	27	Very low	146 Å²	146	142.1 Å²	142.1	89%	0.885	79%	0.79	S	S	*	*			trans	-137.8	121.3	144.9	-179.2	0	0	0	0	109.5
123	S	24.8	Very low	26.9	Very low	109 Å²	109	138.8 Å²	138.8	76%	0.762	80%	0.795	S	S	*	*			trans	-98.6	141.4	168.8	47.9	0	0	0	0	110.2
124	S	28.9	Very low	27	Very low	103 Å²	103	137.2 Å²	137.2	72%	0.72	79%	0.79	S	S	*	*			trans	-129.8	137.6	173.3	-175.3	0	0	0	0	110.7
125	S	24.3	Very low	27.3	Very low	104 Å²	104	136.6 Å²	136.6	73%	0.727	79%	0.789	S	S	*	*			trans	-140.2	137.5	-175.2	-35.8	0	0	0	0	109.2
126	Y	28.4	Very low	27.3	Very low	214 Å²	214	137.9 Å²	137.9	84%	0.839	78%	0.782	S	S	*	*			trans	-162.3	134.4	178.1	-81.5	-60.4	0	0	0	107.6
127	V	27	Very low	27.4	Very low	104 Å²	104	135.4 Å²	135.4	63%	0.63	77%	0.774	S	S	*	*			cis	-145.5	147.4	-6.9	161.3	0	0	0	0	107.7
128	T	25.4	Very low	27.6	Very low	130 Å²	130	136.3 Å²	136.3	80%	0.798	77%	0.768	S	S	*	*			trans	-138.1	124.2	152.6	47.9	0	0	0	0	108.8
129	D	30.3	Very low	27.4	Very low	159 Å²	159	135.4 Å²	135.4	85%	0.85	76%	0.762	S	S	*	*			trans	-82.3	164.1	179.6	-85.6	-51.5	0	0	0	113.8
130	V	24.7	Very low	27.7	Very low	108 Å²	108	138.2 Å²	138.2	66%	0.655	77%	0.769	S	S	*	*			trans	-114.8	145.8	-154.4	168.1	0	0	0	0	111.7
131	Q	29.9	Very low	27.7	Very low	184 Å²	184	137.3 Å²	137.3	86%	0.86	76%	0.762	S	S	*	*				-155.2	140.1	129.5	-155.9	62.3	-10.9	0	0	112.7
132	L	24.9	Very low	28	Very low	162 Å²	162	137.2 Å²	137.2	85%	0.848	76%	0.761	S	S	*	*			trans	-108.7	154.4	-173.1	-140.6	83.2	0	0	0	111.2
133	G	29.6	Very low	28.2	Very low	75 Å²	75	139.2 Å²	139.2	77%	0.773	76%	0.758	S	S	*	*			trans	179.8	105.1	172.6	0	0	0	0	0	116.3
134	S	29.5	Very low	28.8	Very low	114 Å²	114	139.9 Å²	139.9	80%	0.797	76%	0.76	S	S	*	*			trans	-49	168.3	173.2	-33.3	0	0	0	0	116
135	E	31.6	Very low	28.9	Very low	149 Å²	149	141 Å²	141	70%	0.696	77%	0.767	S	S	*	*			cis	-156	156.4	30.5	-73.1	-165	99.1	0	0	115.6
136	K	29.7	Very low	29	Very low	150 Å²	150	140.8 Å²	140.8	65%	0.652	77%	0.766	S	S	*	*			trans	50.6	132.1	137.4	-69.4	172	179.7	147.9	0	125.7
137	Q	27.6	Very low	29.2	Very low	146 Å²	146	137.4 Å²	137.4	68%	0.682	76%	0.762	S	S	*	*			trans	57.8	148.9	131.6	-65.2	169	-84.5	0	0	119.1
138	E	29.9	Very low	29.3	Very low	164 Å²	164	141 Å²	141	77%	0.766	77%	0.77	S	S	*	*			cis	-153	171.4	14.4	-145	150.3	-130.1	0	0	112
139	S	24.3	Very low	29.5	Very low	97 Å²	97	141.3 Å²	141.3	68%	0.678	77%	0.766	S	S	*	*			trans	-92	152.5	-177.5	55.9	0	0	0	0	114.1
140	F	31.7	Very low	29.3	Very low	207 Å²	207	138.2 Å²	138.2	91%	0.908	76%	0.756	S	S	*	*			trans	-158.9	153.1	135.4	-115.2	-76.8	0	0	0	112.8
141	T	26.9	Very low	29.6	Very low	108 Å²	108	138.8 Å²	138.8	66%	0.663	76%	0.76	S	S	*	*			trans	-98.8	149.8	-175.8	48.9	0	0	0	0	112.5
142	D	31.8	Very low	29.5	Very low	149 Å²	149	135.4 Å²	135.4	80%	0.797	75%	0.752	S	S	*	*				-174.5	164.5	117.8	-107.2	-36.9	0	0	0	118
143	K	32	Very low	29.7	Very low	188 Å²	188	133.3 Å²	133.3	82%	0.817	75%	0.746	S	S	*	*			trans	-52.5	170.3	-167.2	-80.9	168.8	179.1	166.5	0	122.1
144	P	35.8	Very low	29.9	Very low	122 Å²	122	135.9 Å²	135.9	79%	0.792	74%	0.742	S	S	*	*			trans	-99.3	164.8	-174.9	40	-36.4	0	0	0	115.2
145	S	31.1	Very low	30	Very low	126 Å²	126	137.1 Å²	137.1	88%	0.881	74%	0.739	S	S	*	*			trans	-158.2	159.9	153.6	64.8	0	0	0	0	113.4
146	S	27	Very low	29.8	Very low	101 Å²	101	134.4 Å²	134.4	71%	0.706	74%	0.736	S	S	*	*			trans	-101	154.2	-171.5	55.5	0	0	0	0	114.1
147	N	32.3	Very low	29.9	Very low	142 Å²	142	134.7 Å²	134.7	76%	0.759	75%	0.745	S	S	*	*			trans	-166.1	132.2	147.4	-99.5	-43.3	0	0	0	113.9
148	K	30	Very low	29.7	Very low	180 Å²	180	139.4 Å²	139.4	78%	0.783	76%	0.757	S	S	*	*				45.6	147.9	127.2	-68.7	179.2	170.9	178.6	0	120.4
149	L	28.4	Very low	29.7	Very low	137 Å²	137	139.4 Å²	139.4	72%	0.717	76%	0.76	S	S	*	*			cis	-163.9	156.3	14	-153.7	68.1	0	0	0	111.3
150	S	26.7	Very low	29.8	Very low	93 Å²	93	140.8 Å²	140.8	65%	0.65	77%	0.765	S	S	*	*			trans	38	146.6	144.8	62.4	0	0	0	0	122.4
151	V	30.5	Very low	29.5	Very low	120 Å²	120	139.2 Å²	139.2	73%	0.727	76%	0.76	S	S	*	*				-167.9	106.7	58.8	166.8	0	0	0	0	108
152	T	27.6	Very low	29.4	Very low	114 Å²	114	140 Å²	140	70%	0.699	76%	0.764	S	S	*	*				56.8	139.7	111.2	66.5	0	0	0	0	121.9
153	T	29.5	Very low	29.1	Very low	117 Å²	117	140.9 Å²	140.9	72%	0.718	76%	0.764	S	S	*	*			trans	70	143.6	153.6	37.8	0	0	0	0	118.6
154	D	33.1	Very low	29	Very low	130 Å²	130	137.4 Å²	137.4	70%	0.695	76%	0.76	S	S	*	*			cis	-159.6	168.3	19.9	-130.1	-23.5	0	0	0	116.9
155	L	32.6	Very low	28.4	Very low	139 Å²	139	140.8 Å²	140.8	73%	0.728	76%	0.763	S	S	*	*			trans	40.6	114.7	153.7	-66	150.5	0	0	0	120.8
156	S	26.6	Very low	28.3	Very low	92 Å²	92	140.5 Å²	140.5	64%	0.643	76%	0.756	S	S	*	*				68.4	112.2	71.8	-177.7	0	0	0	0	116.7
157	N	31.4	Very low	28.3	Very low	157 Å²	157	143.3 Å²	143.3	84%	0.84	76%	0.763	S	S	*	*				-170.4	131.9	125.1	-95.7	-22.7	0	0	0	113.5
158	R	24.5	Very low	28.1	Very low	245 Å²	245	146.1 Å²	146.1	93%	0.925	77%	0.769	S	S	*	*			trans	-97.7	128.8	165.4	-72.1	179.7	173.9	-158.7	0.8	109
159	I	30.6	Very low	27.8	Very low	164 Å²	164	146.6 Å²	146.6	84%	0.841	77%	0.771	S	S	*	*			trans	-136.7	130.4	152.9	-64.4	-173.8	0	0	0	109.3
160	T	24.8	Very low	27.7	Very low	126 Å²	126	147.8 Å²	147.8	77%	0.773	78%	0.776	S	S	*	*			trans	-87.3	136.4	168.9	-51.3	0	0	0	0	108.3
161	E	25.6	Very low	27.6	Very low	173 Å²	173	151.8 Å²	151.8	81%	0.808	78%	0.782	S	S	*	*			trans	174	140.8	135.5	-97.3	-173.2	157.3	0	0	114.9
162	V	26.6	Very low	27.4	Very low	124 Å²	124	154.5 Å²	154.5	75%	0.752	79%	0.792	S	S	*	*			trans	54.8	129.2	139	-175.3	0	0	0	0	121.8
163	Q	24.8	Very low	27.2	Very low	169 Å²	169	153.7 Å²	153.7	79%	0.79	79%	0.79	S	S	*	*			trans	-55.3	153.3	171.3	-67.9	-94	-39.4	0	0	114.6
164	P	28.6	Very low	27.3	Very low	114 Å²	114	155.8 Å²	155.8	74%	0.74	79%	0.792	S	S	*	*				-138.8	157.9	118.9	35.7	-23.7	0	0	0	115.8
165	K	23.4	Very low	27.1	Very low	193 Å²	193	157.1 Å²	157.1	84%	0.839	79%	0.794	S	S	*	*			trans	-75.3	138.4	171	-59.3	159.2	179.9	164.6	0	110.4
166	T	30.7	Very low	27	Very low	120 Å²	120	155.8 Å²	155.8	74%	0.736	80%	0.796	S	S	*	*			trans	-133.9	134.4	160.5	48.3	0	0	0	0	111.3
167	N	26.3	Very low	27.3	Very low	160 Å²	160	154.4 Å²	154.4	86%	0.856	80%	0.796	S	S	*	*			trans	-91	138.1	176.6	-59	-76.1	0	0	0	109.3
168	F	27.2	Very low	27.1	Very low	201 Å²	201	154.6 Å²	154.6	88%	0.882	80%	0.797	S	S	*	*			trans	-92.1	124.5	164.6	-82.8	-84.6	0	0	0	110.6
169	K	23.9	Very low	27.4	Very low	191 Å²	191	150.6 Å²	150.6	83%	0.83	79%	0.792	S	S	*	*			trans	-121.8	115.1	175.2	176.1	179.7	179.6	177.6	0	107.6
170	I	27.7	Very low	27.4	Very low	162 Å²	162	147 Å²	147	83%	0.831	78%	0.782	S	S	*	*			trans	-95.2	130.1	172.3	-62.5	178.2	0	0	0	108.2
171	K	23.2	Very low	27.7	Very low	176 Å²	176	149.1 Å²	149.1	77%	0.765	79%	0.788	S	S	*	*			trans	-83.3	143.5	174.5	-93.3	177.7	168	-178.2	0	109.7
172	L	25.9	Very low	28	Very low	178 Å²	178	148.3 Å²	148.3	93%	0.932	78%	0.784	S	S	*	*			trans	-125.6	147.4	146.1	-80.4	165.8	0	0	0	107.4
173	S	24.1	Very low	28.3	Very low	96 Å²	96	149.5 Å²	149.5	67%	0.671	79%	0.786	S	S	*	*			trans	-144.1	160.4	-169.1	44.5	0	0	0	0	110.5
174	H	31.9	Very low	28.9	Very low	161 Å²	161	148.8 Å²	148.8	75%	0.745	79%	0.786	S	S	*	*			trans	88.9	133	-164.8	-72.4	-99	0	0	0	113.8
175	E	28.8	Very low	28.9	Very low	158 Å²	158	153.3 Å²	153.3	74%	0.738	79%	0.794	S	S	*	*			cis	-155	175	-14	-144.4	168.4	163.6	0	0	110.4
176	S	31.4	Very low	29.4	Very low	112 Å²	112	147.5 Å²	147.5	78%	0.783	79%	0.789	S	S	*	*			trans	-9.3	142.3	169.9	44.3	0	0	0	0	120.5
177	G	31	Very low	29.3	Very low	62 Å²	62	149.8 Å²	149.8	64%	0.639	80%	0.796	S	S	*	*			cis	170.1	170.8	-3.7	0	0	0	0	0	113.2
178	N	28.8	Very low	29.5	Very low	161 Å²	161	148.2 Å²	148.2	86%	0.861	80%	0.796	S	S	*	*			trans	62.5	140.2	162.8	-53.1	-19.4	0	0	0	118
179	I	31.1	Very low	29.5	Very low	161 Å²	161	148.2 Å²	148.2	83%	0.826	80%	0.796	S	S	*	*			cis	-145.6	166.6	7.7	-151.4	76.5	0	0	0	110.3
180	S	29.2	Very low	29.8	Very low	90 Å²	90	147.3 Å²	147.3	63%	0.629	80%	0.798	S	S	*	*			trans	-91	155.1	-176.7	-175.8	0	0	0	0	113.7
181	L	31.9	Very low	29.9	Very low	170 Å²	170	145.8 Å²	145.8	89%	0.89	79%	0.792	S	S	*	*				-153.1	138.2	116.5	-156.2	61.7	0	0	0	112.1
182	E	30.5	Very low	30.1	Very low	155 Å²	155	143.3 Å²	143.3	72%	0.724	79%	0.793	S	S	*	*			trans	-71	165.5	172.9	-46.6	-164.6	148.2	0	0	109.6
183	D	32.9	Very low	30.1	Very low	149 Å²	149	143.6 Å²	143.6	80%	0.797	79%	0.787	S	S	*	*				-177.5	171.8	83.7	-136.2	-29.8	0	0	0	114.6
184	I	37.8	Very low	30.2	Very low	155 Å²	155	144.8 Å²	144.8	80%	0.795	80%	0.795	S	S	*	*			trans	76.2	94	168	-39.3	-164.4	0	0	0	119
185	K	29.3	Very low	30.1	Very low	208 Å²	208	144.1 Å²	144.1	90%	0.904	79%	0.794	S	S	*	*			trans	-69.9	151.7	161.2	-63.2	154.3	-179.5	154.6	0	111.8
186	G	32.7	Very low	29.9	Very low	71 Å²	71	147.1 Å²	147.1	73%	0.732	81%	0.805	S	S	*	*			trans	-168.2	78.9	173.6	0	0	0	0	0	117.7
187	L	29.3	Very low	29.8	Very low	168 Å²	168	146.2 Å²	146.2	88%	0.88	80%	0.795	S	S	*	*			trans	45.7	106.8	146.4	-69.7	152.9	0	0	0	120.2
188	C	30.8	Very low	29.6	Very low	127 Å²	127	151.4 Å²	151.4	86%	0.858	81%	0.808	S	S	*	*				-178.9	138.6	97.3	-99.1	0	0	0	0	113.7
189	K	26.3	Very low	29.5	Very low	202 Å²	202	149.1 Å²	149.1	88%	0.878	81%	0.805	S	S	*	*			trans	-86.7	142.7	175.9	-60.9	165.9	177.8	172.2	0	110
190	I	31.9	Very low	29.4	Very low	171 Å²	171	148.8 Å²	148.8	88%	0.877	80%	0.804	S	S	*	*			trans	-159.1	112.5	143.7	-92.4	136	0	0	0	110.6
191	N	27.9	Very low	29.4	Very low	131 Å²	131	148.1 Å²	148.1	70%	0.701	80%	0.799	S	S	*	*			trans	26.6	117.1	146.7	-136.4	-21.5	0	0	0	121.7
192	P	29.1	Very low	29.2	Very low	123 Å²	123	147.9 Å²	147.9	80%	0.799	80%	0.797	S	S	*	*			trans	-96.1	110.3	170.4	35.1	-28.6	0	0	0	112.9
193	K	26.2	Very low	29.1	Very low	185 Å²	185	146.7 Å²	146.7	80%	0.804	79%	0.794	S	S	*	*			trans	-137.8	134	161.5	-74.9	-170.5	178.9	179.3	0	111.7
194	S	25.8	Very low	28.8	Very low	120 Å²	120	144.4 Å²	144.4	84%	0.839	79%	0.79	S	S	*	*			trans	76.9	151.9	178.4	85.9	0	0	0	0	117.8
195	M	28.3	Very low	28.4	Very low	147 Å²	147	146.4 Å²	146.4	72%	0.724	79%	0.793	S	S	*	*			trans	93.9	66.5	177.8	-52.2	-143.6	75.9	0	0	118.1	T197	M195-T197 HydrophobicContact CE-CG2 3.75Å; M195-T197 PolarHBondContact O-N 2.76Å
196	K	24.9	Very low	28.4	Very low	221 Å²	221	148 Å²	148	96%	0.961	79%	0.793	S	S	*	*			trans	-76.9	97.7	143.2	-79.9	-174.7	175	-177.6	0	108.9
197	T	29.8	Very low	28.1	Very low	94 Å²	94	152.6 Å²	152.6	58%	0.577	80%	0.797	S	S	*	*			trans	-135.9	127.3	165.6	47.4	0	0	0	0	108.8	M195 S199	M195-T197 HydrophobicContact CE-CG2 3.75Å; M195-T197 PolarHBondContact O-N 2.76Å; T197-S199 PolarHBondContact O-N 3.03Å
198	N	27	Very low	28.1	Very low	171 Å²	171	148.6 Å²	148.6	91%	0.914	79%	0.789	S	S	*	*			trans	-57.6	100	-176.1	-67.9	-6.1	0	0	0	111.6	L200	N198-L200 PolarHBondContact O-N 3.33Å
199	S	26.6	Very low	28	Very low	113 Å²	113	150.6 Å²	150.6	79%	0.79	79%	0.79	S	S	*	*			trans	-84.4	91.3	173.3	55.3	0	0	0	0	109.6	T197 S201	T197-S199 PolarHBondContact O-N 3.03Å; S199-S201 VanDerWaalsContact C-N 3.25Å; S199-S201 PolarHBondContact O-N 2.99Å
200	L	28.8	Very low	28.1	Very low	153 Å²	153	146 Å²	146	80%	0.801	78%	0.784	S	S	*	*			trans	-68.6	93.1	159.1	-78.1	172	0	0	0	108.5	N198	N198-L200 PolarHBondContact O-N 3.33Å
201	S	28.9	Very low	28.2	Very low	77 Å²	77	143.9 Å²	143.9	54%	0.538	78%	0.781	S	S	.	*			trans	44.1	83.5	149.5	48.5	0	0	0	0	117.8	S199 I203	S199-S201 VanDerWaalsContact C-N 3.25Å; S199-S201 PolarHBondContact O-N 2.99Å; S201-I203 PolarHBondContact O-N 3.12Å
202	I	27.3	Very low	28.5	Very low	165 Å²	165	144.4 Å²	144.4	85%	0.846	78%	0.783	S	S	*	*			trans	-72.2	80.4	142.1	-57	176.2	0	0	0	106.9	S204	I202-S204 PolarHBondContact O-N 3.08Å
203	I	29.1	Very low	28.7	Very low	129 Å²	129	141.3 Å²	141.3	66%	0.662	77%	0.773	S	S	*	*			trans	-78.5	99.6	166	-71.9	161.4	0	0	0	106.9	S201 K205	S201-I203 PolarHBondContact O-N 3.12Å; I203-K205 VanDerWaalsContact C-N 3.34Å; I203-K205 HydrophobicContact CG2-CG 4.27Å; I203-K205 PolarHBondContact O-N 2.97Å
204	S	27.1	Very low	29.2	Very low	101 Å²	101	138.2 Å²	138.2	71%	0.706	78%	0.783	S	S	*	*			trans	-62.9	93.8	166.2	-67.1	0	0	0	0	109.2	I202 R206	I202-S204 PolarHBondContact O-N 3.08Å; S204-R206 PolarHBondContact O-N 2.61Å; S204-R206 VanDerWaalsContact O-N 3.11Å
205	K	30.1	Very low	29.9	Very low	197 Å²	197	136 Å²	136	86%	0.857	77%	0.767	S	S	*	*			trans	-64	111.8	170.6	-71.7	-170.6	173.8	-172.5	0	108.5	I203	I203-K205 VanDerWaalsContact C-N 3.34Å; I203-K205 HydrophobicContact CG2-CG 4.27Å; I203-K205 PolarHBondContact O-N 2.97Å
206	R	27.9	Very low	30.4	Very low	243 Å²	243	133.3 Å²	133.3	92%	0.917	78%	0.777	S	S	*	*			trans	-60.9	149.3	175	-74.4	178	168.7	174.1	-5.1	110.1	S204	S204-R206 PolarHBondContact O-N 2.61Å; S204-R206 VanDerWaalsContact O-N 3.11Å
207	M	28	Very low	31	Very low	166 Å²	166	130.8 Å²	130.8	82%	0.818	77%	0.766	S	S	*	*			trans	-66.4	139.5	167.8	-69.6	174.6	175.3	0	0	109.9
208	A	28.5	Very low	31.1	Very low	85 Å²	85	132 Å²	132	70%	0.702	78%	0.776	S	S	*	*			trans	-118.3	127.5	159.6	0	0	0	0	0	107.4
209	L	27.5	Very low	31.4	Very low	169 Å²	169	129.1 Å²	129.1	89%	0.885	76%	0.764	S	S	*	*			trans	-102.4	123.1	168.8	-68.9	168.1	0	0	0	106.6
210	S	30	Very low	31.9	Very low	106 Å²	106	127.4 Å²	127.4	74%	0.741	75%	0.749	S	S	*	*			trans	-120.6	140.6	169	51.4	0	0	0	0	109.6
211	P	33.8	Very low	32	Very low	126 Å²	126	125 Å²	125	82%	0.818	74%	0.736	S	S	*	*			trans	-69.7	155	178	29.7	-34.4	0	0	0	111.2	G213	P211-G213 PolarHBondContact O-N 2.99Å; P211-G213 VanDerWaalsContact O-N 3.14Å
212	L	34.5	Very low	32.3	Very low	141 Å²	141	128.4 Å²	128.4	74%	0.738	74%	0.741	S	S	*	*			trans	-75.5	101.3	-175.1	-153.3	76.1	0	0	0	110.5
213	G	32.9	Very low	32.6	Very low	58 Å²	58	122.6 Å²	122.6	60%	0.598	72%	0.716	S	S	*	*			trans	-68.4	145.6	168.8	0	0	0	0	0	111.5	P211 S215	P211-G213 PolarHBondContact O-N 2.99Å; P211-G213 VanDerWaalsContact O-N 3.14Å; G213-S215 PolarHBondContact O-N 3.39Å
214	A	37.1	Very low	32.9	Very low	121 Å²	121	121.9 Å²	121.9	100%	1	72%	0.717	S	S	*	*	S	Bend	trans	-72.3	29	-164.2	0	0	0	0	0	117.1
215	S	39.1	Very low	33.2	Very low	74 Å²	74	123.1 Å²	123.1	52%	0.517	72%	0.715	S	S	.	*	S	Bend	trans	-110.8	127.3	171.9	92.8	0	0	0	0	110.3	G213 K217	G213-S215 PolarHBondContact O-N 3.39Å; S215-K217 PolarHBondContact O-N 3.18Å
216	G	40.2	Very low	33.5	Very low	90 Å²	90	119.7 Å²	119.7	93%	0.928	71%	0.713	S	S	*	*			trans	-71.4	48.3	-172.1	0	0	0	0	0	116.2
217	K	37.6	Very low	34	Very low	167 Å²	167	115.7 Å²	115.7	73%	0.726	70%	0.699	S	S	*	*			trans	-95.2	123.7	176.8	-66	179	-178.5	175.1	0	110.1	S215 V219	S215-K217 PolarHBondContact O-N 3.18Å; K217-V219 PolarHBondContact O-N 3.24Å
218	P	31.7	Very low	34.4	Very low	121 Å²	121	116 Å²	116	79%	0.786	70%	0.698	S	S	*	*			trans	-71.4	115.1	-178.9	27.8	-33.7	0	0	0	111.6
219	V	32.9	Very low	34.7	Very low	109 Å²	109	121.7 Å²	121.7	66%	0.661	70%	0.701	S	S	*	*			trans	-91.2	126.5	176.7	-179	0	0	0	0	110.1	K217 L221	K217-V219 PolarHBondContact O-N 3.24Å; V219-L221 PolarHBondContact O-N 3.35Å
220	T	36.1	Very low	35.1	Very low	78 Å²	78	122 Å²	122	48%	0.479	70%	0.696	S	S	.	*			trans	-86.1	108.3	-179.4	-58.5	0	0	0	0	111.2	F222	T220-F222 HydrophobicContact CG2-CD2 4.35Å; T220-F222 HydrophobicContact CG2-CE1 4.43Å; T220-F222 HydrophobicContact CG2-CE2 3.7Å; T220-F222 HydrophobicContact CG2-CZ 3.75Å
221	L	32.3	Very low	35.5	Very low	102 Å²	102	122.9 Å²	122.9	53%	0.534	70%	0.697	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-91.1	139	172.1	-77.9	165.2	0	0	0	111.9	V219	V219-L221 PolarHBondContact O-N 3.35Å
222	F	34.8	Very low	35.7	Very low	148 Å²	148	123.5 Å²	123.5	65%	0.649	70%	0.698	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-116.4	119.9	172.1	-65.1	-84.4	0	0	0	109.7	T220	T220-F222 HydrophobicContact CG2-CD2 4.35Å; T220-F222 HydrophobicContact CG2-CE1 4.43Å; T220-F222 HydrophobicContact CG2-CE2 3.7Å; T220-F222 HydrophobicContact CG2-CZ 3.75Å
223	S	33.5	Very low	35.5	Very low	44 Å²	44	120.7 Å²	120.7	31%	0.308	70%	0.703	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-108	139.3	171.7	62.2	0	0	0	0	111
224	V	34.9	Very low	35.6	Very low	114 Å²	114	123 Å²	123	69%	0.691	71%	0.711	S	S	*	*			trans	-116	107.5	171.7	-179.1	0	0	0	0	107.4
225	L	34.4	Very low	35.4	Very low	126 Å²	126	125.6 Å²	125.6	66%	0.66	70%	0.701	S	S	*	*	P	Polyproline II helix	trans	-80.5	123.2	-179.8	-71.6	167.9	0	0	0	110.7
226	P	35.1	Very low	35.1	Very low	125 Å²	125	131 Å²	131	81%	0.812	72%	0.716	S	S	*	*	P	Polyproline II helix	trans	-73.3	140.3	173.6	30.1	-33.3	0	0	0	111.1
227	Y	38.4	Very low	34.8	Very low	159 Å²	159	138.2 Å²	138.2	62%	0.624	72%	0.715	S	S	*	*	P	Polyproline II helix	trans	-94.6	124.5	-179.7	-177.7	-97.5	0	0	0	112.2	R229	Y227-R229 PolarHBondContact O-N 2.95Å
228	H	36.5	Very low	34.9	Very low	174 Å²	174	136.2 Å²	136.2	81%	0.806	72%	0.717	S	S	*	*			trans	-74	114.6	172.5	-154.2	-79.3	0	0	0	110.4	K230	H228-K230 PolarHBondContact O-N 3.48Å
229	R	34.9	Very low	35	Very low	204 Å²	204	133.7 Å²	133.7	77%	0.77	71%	0.713	S	S	*	*			trans	-68.4	100.9	-174.4	-171.3	-179.2	-171.7	177.9	1.5	110.9	Y227 T231	Y227-R229 PolarHBondContact O-N 2.95Å; R229-T231 PolarHBondContact O-N 3.32Å; R229-T231 VanDerWaalsContact O-N 3.09Å
230	K	37.1	Very low	35	Very low	176 Å²	176	138.7 Å²	138.7	77%	0.765	72%	0.719	S	S	*	*			trans	-63.8	108.4	163.4	-70.5	-169.6	177.4	-173.9	0	108.8	H228 T232	H228-K230 PolarHBondContact O-N 3.48Å; K230-T232 PolarHBondContact O-N 3.13Å
231	T	36.9	Very low	35.1	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	74%	0.74	S	S	*	*			trans	-77.4	100.3	177.6	37.8	0	0	0	0	110.3	R229	R229-T231 PolarHBondContact O-N 3.32Å; R229-T231 VanDerWaalsContact O-N 3.09Å
232	T	38.7	Very low	35.3	Very low	138 Å²	138	149.3 Å²	149.3	85%	0.847	75%	0.75	S	S	*	*			trans	-74.4	122.1	167.9	49.6	0	0	0	0	110.2	K230	K230-T232 PolarHBondContact O-N 3.13Å
233	G	29.7	Very low	35.7	Very low	82 Å²	82	150.1 Å²	150.1	85%	0.845	76%	0.76	S	S	*	*			trans	80.6	79.1	160.5	0	0	0	0	0	116.4
234	S	35.1	Very low	35.8	Very low	108 Å²	108	155 Å²	155	76%	0.755	78%	0.782	S	S	*	*			trans	-131.3	133.2	148.4	-176.5	0	0	0	0	108.1	F236	S234-F236 PolarHBondContact O-N 3.29Å
235	H	33	Very low	36.4	Very low	174 Å²	174	154.8 Å²	154.8	81%	0.806	78%	0.783	S	S	*	*			trans	-64.9	119.1	-174.7	-79.5	-108.9	0	0	0	111.7
236	F	33.8	Very low	36.8	Very low	187 Å²	187	155 Å²	155	82%	0.82	79%	0.791	S	S	*	*			trans	-117.8	96.7	152.3	-96.5	-86.9	0	0	0	109.1	S234 V238	S234-F236 PolarHBondContact O-N 3.29Å; F236-V238 HydrophobicContact CB-CG2 4.45Å; F236-V238 HydrophobicContact CD1-CG2 4.16Å; F236-V238 PolarHBondContact O-N 3.23Å
237	R	32.6	Very low	36.6	Very low	243 Å²	243	154.4 Å²	154.4	92%	0.917	79%	0.79	S	S	*	*			trans	-70.2	110.9	160.4	-84	-176.2	171.7	-173.2	-0.8	107.2
238	V	40.1	Very low	36.6	Very low	125 Å²	125	151.1 Å²	151.1	76%	0.758	79%	0.791	S	S	*	*			trans	-130.4	120	168.6	-178.6	0	0	0	0	110.1	F236	F236-V238 HydrophobicContact CB-CG2 4.45Å; F236-V238 HydrophobicContact CD1-CG2 4.16Å; F236-V238 PolarHBondContact O-N 3.23Å
239	G	34.4	Very low	36.8	Very low	68 Å²	68	150.8 Å²	150.8	70%	0.701	79%	0.789	S	S	*	*			trans	47.8	86.3	146.9	0	0	0	0	0	119.1	R241	G239-R241 PolarHBondContact O-N 2.94Å
240	R	32.2	Very low	37	Very low	213 Å²	213	149.2 Å²	149.2	80%	0.804	79%	0.788	S	S	*	*			trans	-64.8	108.9	156.7	-173.4	-173.5	-161.8	175.4	7.5	109	H242	R240-H242 PolarHBondContact NE-NE2 3.48Å; R240-H242 VanDerWaalsContact NE-NE2 3.2Å
241	R	37.7	Very low	36.8	Very low	241 Å²	241	148.4 Å²	148.4	91%	0.909	79%	0.791	S	S	*	*			trans	-120.4	126.6	157.5	-76.3	-170.3	178.4	178.2	0.8	108.6	G239	G239-R241 PolarHBondContact O-N 2.94Å
242	H	36.8	Very low	36.8	Very low	162 Å²	162	147 Å²	147	75%	0.75	79%	0.787	S	S	*	*			trans	-75	135.1	-179.5	-75.7	-111.9	0	0	0	110.1	R240	R240-H242 PolarHBondContact NE-NE2 3.48Å; R240-H242 VanDerWaalsContact NE-NE2 3.2Å
243	I	43.2	Very low	36.5	Very low	165 Å²	165	145.8 Å²	145.8	85%	0.846	78%	0.784	S	S	*	*			trans	-131.9	114.9	155.3	-58.9	-179.1	0	0	0	105.6
244	L	36.7	Very low	36.8	Very low	148 Å²	148	145.3 Å²	145.3	78%	0.775	78%	0.779	S	S	*	*	P	Polyproline II helix	trans	-79.9	140.5	178.5	-77	140.6	0	0	0	110.2
245	P	46.1	Very low	36.8	Very low	109 Å²	109	146.5 Å²	146.5	71%	0.708	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-78.9	145.4	155.9	33.5	-30.7	0	0	0	109.8
246	P	44	Very low	37	Very low	130 Å²	130	146.8 Å²	146.8	84%	0.844	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-74.5	152.3	177	27.6	-28.6	0	0	0	112.3
247	S	31.4	Very low	36.9	Very low	112 Å²	112	146 Å²	146	78%	0.783	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-76.8	150.5	-172.4	55.2	0	0	0	0	115.3
248	S	38.1	Very low	36.9	Very low	91 Å²	91	145 Å²	145	64%	0.636	78%	0.784	S	S	*	*			trans	-163.8	109.9	146.4	29.9	0	0	0	0	112.8
249	H	40.5	Very low	36.5	Very low	167 Å²	167	146.9 Å²	146.9	77%	0.773	79%	0.785	S	S	*	*			trans	55.7	151.3	143.2	-41.8	-52.5	0	0	0	119.5
250	K	38	Very low	36.4	Very low	170 Å²	170	148.5 Å²	148.5	74%	0.739	79%	0.785	S	S	*	*			cis	-170.8	150.3	-7	-121.2	177.7	178.5	179.2	0	106.2
251	L	34.4	Very low	36.8	Very low	160 Å²	160	143.9 Å²	143.9	84%	0.838	78%	0.783	S	S	*	*			trans	65.5	157.8	155.3	-57.8	164.7	0	0	0	117.4
252	S	35.1	Very low	36.7	Very low	95 Å²	95	136.4 Å²	136.4	66%	0.664	77%	0.772	S	S	*	*			cis	-157	152.2	-32.3	-164.7	0	0	0	0	110.2
253	S	34.3	Very low	36.4	Very low	112 Å²	112	134 Å²	134	78%	0.783	77%	0.774	S	S	*	*			trans	-2.1	137.5	156.5	58.5	0	0	0	0	121.3
254	G	35.6	Very low	35.8	Very low	72 Å²	72	131.7 Å²	131.7	74%	0.742	77%	0.773	S	S	*	*			trans	179.7	93.3	157.2	0	0	0	0	0	116.3
255	V	35.1	Very low	35.8	Very low	132 Å²	132	131.4 Å²	131.4	80%	0.8	78%	0.777	S	S	*	*			trans	35.5	121.3	137.4	-174.3	0	0	0	0	117.2
256	Q	36.3	Very low	35	Very low	181 Å²	181	136.8 Å²	136.8	85%	0.846	78%	0.783	S	S	*	*				-163.8	144.1	63.4	-145.9	149.9	48.7	0	0	112.6
257	Q	32	Very low	34.5	Very low	171 Å²	171	138.5 Å²	138.5	80%	0.799	78%	0.784	S	S	*	*			trans	-82.3	155.3	171.3	-65.4	161.8	-66.6	0	0	111.3
258	F	31.7	Very low	34.7	Very low	222 Å²	222	138.3 Å²	138.3	97%	0.974	78%	0.78	S	S	*	*				-156.2	140.6	122.5	-109.4	-72.7	0	0	0	110.3
259	Q	33.1	Very low	34.7	Very low	163 Å²	163	142.6 Å²	142.6	76%	0.762	79%	0.79	S	S	*	*			trans	-147.4	145.1	-165.5	167.5	159	-9.1	0	0	111.5
260	S	30.9	Very low	34.4	Very low	102 Å²	102	140 Å²	140	71%	0.713	79%	0.786	S	S	*	*			trans	78.7	175.1	155	78.4	0	0	0	0	117.7
261	P	42	Very low	34.2	Very low	117 Å²	117	137.3 Å²	137.3	76%	0.76	79%	0.789	S	S	*	*				-143	-155.5	-97.2	41.4	-18.7	0	0	0	114.1
262	A	35.4	Very low	34.3	Very low	83 Å²	83	137.6 Å²	137.6	69%	0.686	79%	0.789	S	S	*	*			trans	98.3	117.2	147.7	0	0	0	0	0	120.5
263	S	30.7	Very low	34	Very low	113 Å²	113	137.9 Å²	137.9	79%	0.79	79%	0.791	S	S	*	*				69.2	128.1	129.7	65	0	0	0	0	123.2
264	S	30.1	Very low	34.1	Very low	116 Å²	116	138.8 Å²	138.8	81%	0.811	79%	0.793	S	S	*	*			trans	91.2	140.6	137.5	-144.1	0	0	0	0	120
265	V	36.6	Very low	34	Very low	142 Å²	142	138.8 Å²	138.8	86%	0.861	79%	0.793	S	S	*	*			trans	138	139.1	147.8	172.7	0	0	0	0	111.8
266	R	28.7	Very low	34	Very low	221 Å²	221	138.9 Å²	138.9	83%	0.834	79%	0.793	S	S	*	*			trans	-127.4	140	-167.7	167.9	-154.1	-91.7	-168.6	-5.8	107.6
267	L	34.1	Very low	33.8	Very low	167 Å²	167	136.2 Å²	136.2	87%	0.874	79%	0.789	S	S	*	*			trans	175.1	157.1	136.6	-92.3	148.8	0	0	0	112.8
268	P	36.8	Very low	33.7	Very low	107 Å²	107	136.3 Å²	136.3	70%	0.695	79%	0.789	S	S	*	*			trans	-125.9	178.8	-166.8	45	-32.8	0	0	0	116
269	Q	36.1	Very low	33.8	Very low	182 Å²	182	133 Å²	133	85%	0.85	79%	0.787	S	S	*	*			trans	-173.4	153.5	165.7	-103.7	155.6	16	0	0	109.6
270	T	34.8	Very low	33.7	Very low	113 Å²	113	133.4 Å²	133.4	69%	0.693	79%	0.786	S	S	*	*			cis	-164.8	138.5	-22.3	6.5	0	0	0	0	111.2
271	S	34.5	Very low	33.7	Very low	113 Å²	113	136.1 Å²	136.1	79%	0.79	79%	0.793	S	S	*	*			trans	64.2	150.4	157.1	68.9	0	0	0	0	119.3
272	I	35.2	Very low	33.5	Very low	165 Å²	165	136 Å²	136	85%	0.846	79%	0.792	S	S	*	*			cis	-137.3	150.9	31	-70	171.2	0	0	0	112.8
273	S	30.7	Very low	33.2	Very low	101 Å²	101	139.8 Å²	139.8	71%	0.706	80%	0.801	S	S	*	*			trans	-84.8	161	-179.9	-160.7	0	0	0	0	112.2
274	T	36	Very low	33.2	Very low	132 Å²	132	139.5 Å²	139.5	81%	0.81	80%	0.796	S	S	*	*				-163.2	139.4	59.4	49.6	0	0	0	0	110.2
275	G	32.1	Very low	33.2	Very low	72 Å²	72	142.9 Å²	142.9	74%	0.742	80%	0.799	S	S	*	*				96.8	137.4	75.8	0	0	0	0	0	110.6
276	V	35	Very low	32.7	Very low	134 Å²	134	141.1 Å²	141.1	81%	0.812	79%	0.793	S	S	*	*			cis	-161.7	140.5	26	146.6	0	0	0	0	112.3
277	T	33.8	Very low	32.7	Very low	125 Å²	125	137 Å²	137	77%	0.767	79%	0.787	S	S	*	*			trans	46.9	116.4	157.1	60.3	0	0	0	0	126.4
278	H	28.8	Very low	32.4	Very low	173 Å²	173	138.5 Å²	138.5	80%	0.801	79%	0.787	S	S	*	*				-6.5	139.6	129.5	-82.2	-99.2	0	0	0	121.4
279	V	33.5	Very low	32	Very low	153 Å²	153	138.7 Å²	138.7	93%	0.927	79%	0.786	S	S	*	*				-139.7	158.4	117.4	176	0	0	0	0	108
280	K	31.3	Very low	32	Very low	171 Å²	171	136.9 Å²	136.9	74%	0.743	78%	0.778	S	S	*	*			trans	-131	131.5	-165.9	171.8	-174.2	179.9	-174.1	0	109.6
281	D	31.4	Very low	31.7	Very low	159 Å²	159	138.7 Å²	138.7	85%	0.85	78%	0.783	S	S	*	*			trans	-169.4	156.4	142.8	-98.5	-23.2	0	0	0	113.2
282	P	36.8	Very low	31.6	Very low	113 Å²	113	137 Å²	137	73%	0.734	77%	0.768	S	S	*	*			trans	-119.8	136.7	-168.9	37.7	-23.1	0	0	0	115.1
283	N	30.7	Very low	31.4	Very low	164 Å²	164	135 Å²	135	88%	0.877	76%	0.758	S	S	*	*			trans	-157.3	133.8	150.5	-140.5	-11.2	0	0	0	110.6
284	P	31.1	Very low	31.4	Very low	107 Å²	107	133.1 Å²	133.1	70%	0.695	75%	0.745	S	S	*	*			trans	-102.1	107.7	-168.4	35.4	-28.3	0	0	0	113.5
285	Q	28.8	Very low	31.6	Very low	187 Å²	187	128.6 Å²	128.6	87%	0.874	72%	0.716	S	S	*	*			trans	-167.8	138.4	155.2	-111	158.2	63.8	0	0	112.8
286	S	26.5	Very low	31.8	Very low	104 Å²	104	129.3 Å²	129.3	73%	0.727	71%	0.709	S	S	*	*			trans	70.3	161.6	171.1	79	0	0	0	0	119
287	N	28.6	Very low	31.9	Very low	135 Å²	135	126.3 Å²	126.3	72%	0.722	69%	0.694	S	S	*	*			trans	75.4	75.2	168.6	-55.8	-26.5	0	0	0	118.9	V289	N287-V289 HydrophobicContact CB-CG2 4.27Å; N287-V289 PolarHBondContact O-N 3.15Å
288	F	27.6	Very low	32	Very low	198 Å²	198	127 Å²	127	87%	0.868	69%	0.687	S	S	*	*			trans	-70.3	73.9	156.6	-116.6	-86.9	0	0	0	110.5	H290	F288-H290 PolarHBondContact O-N 3.16Å
289	V	29.5	Very low	32.4	Very low	111 Å²	111	126.4 Å²	126.4	67%	0.673	68%	0.678	S	S	*	*			trans	-75.5	94.8	169.9	-177.3	0	0	0	0	108	N287 N291	N287-V289 HydrophobicContact CB-CG2 4.27Å; N287-V289 PolarHBondContact O-N 3.15Å; V289-N291 PolarHBondContact O-N 3.2Å; V289-N291 VanDerWaalsContact O-N 3.11Å
290	H	35.7	Very low	32.5	Very low	145 Å²	145	123 Å²	123	67%	0.671	66%	0.659	S	S	*	*			trans	-64.8	111.2	164.2	-97.2	-86.6	0	0	0	108.4	F288 V292	F288-H290 PolarHBondContact O-N 3.16Å; H290-V292 HydrophobicContact CB-CG2 4.04Å; H290-V292 PolarHBondContact O-N 2.93Å
291	N	27.7	Very low	33	Very low	150 Å²	150	120.9 Å²	120.9	80%	0.802	66%	0.66	S	S	*	*			trans	-66.1	84	161.5	-86	-18.9	0	0	0	108.4	V289 L293	V289-N291 PolarHBondContact O-N 3.2Å; V289-N291 VanDerWaalsContact O-N 3.11Å; N291-L293 PolarHBondContact O-N 2.99Å
292	V	33.8	Very low	33.5	Very low	79 Å²	79	118.5 Å²	118.5	48%	0.479	65%	0.647	S	S	.	*			trans	-72	94	173.2	-176.5	0	0	0	0	107.7	H290 S294	H290-V292 HydrophobicContact CB-CG2 4.04Å; H290-V292 PolarHBondContact O-N 2.93Å; V292-S294 PolarHBondContact O-N 3.42Å; V292-S294 VanDerWaalsContact O-N 3.16Å
293	L	30.4	Very low	33.4	Very low	121 Å²	121	116 Å²	116	63%	0.634	64%	0.642	S	S	*	*			trans	-52.5	120.9	159.5	-74.6	168.8	0	0	0	107.4	N291 L295 F298	N291-L293 PolarHBondContact O-N 2.99Å; L293-L295 PolarHBondContact O-N 3.37Å; L293-F298 HydrophobicContact CB-CE2 4.46Å
294	S	29.7	Very low	33.5	Very low	62 Å²	62	113.6 Å²	113.6	43%	0.434	63%	0.625	S	S	.	*			trans	-55.1	127.8	-177.6	-170.9	0	0	0	0	109.5	V292 S296 S297	V292-S294 PolarHBondContact O-N 3.42Å; V292-S294 VanDerWaalsContact O-N 3.16Å; S294-S296 PolarHBondContact O-N 2.83Å; S294-S296 PolarHBondContact OG-OG 2.93Å; S294-S297 PolarHBondContact O-N 3.19Å; S294-S297 PolarHBondContact O-OG 3.38Å
295	L	41.7	Very low	33.6	Very low	37 Å²	37	112.6 Å²	112.6	19%	0.194	62%	0.617	C	S	.	*	G	3₁₀ helix	trans	-54.4	-22	-172.1	-75.6	163.4	0	0	0	113.5	L293 S297 F298 T559 D562	L293-L295 PolarHBondContact O-N 3.37Å; L295-S297 PolarHBondContact O-N 2.89Å; L295-F298 HydrophobicContact CD2-CD2 4.12Å; L295-F298 PolarHBondContact O-N 3.4Å; L295-T559 HydrophobicContact CD1-CG2 4.13Å; L295-D562 HydrophobicContact CB-CB 4.37Å; L295-D562 WeakPolarHBondContact CB-OD2 3.36Å; L295-D562 HydrophobicContact CD1-CB 4.42Å
296	S	36.4	Very low	33.8	Very low	88 Å²	88	108.2 Å²	108.2	62%	0.615	60%	0.599	S	S	*	*	G	3₁₀ helix	trans	-55.4	-8.6	166.8	58.2	0	0	0	0	116.1	S294	S294-S296 PolarHBondContact O-N 2.83Å; S294-S296 PolarHBondContact OG-OG 2.93Å
297	S	35.2	Very low	33.9	Very low	70 Å²	70	106.6 Å²	106.6	49%	0.49	59%	0.588	S	S	.	*	G	3₁₀ helix	trans	-99.7	-6.2	171.3	86	0	0	0	0	114.5	S294 L295 R299	S294-S297 PolarHBondContact O-N 3.19Å; S294-S297 PolarHBondContact O-OG 3.38Å; L295-S297 PolarHBondContact O-N 2.89Å; S297-R299 PolarHBondContact O-N 3.12Å
298	F	35.8	Very low	34.1	Very low	140 Å²	140	109.6 Å²	109.6	61%	0.614	59%	0.59	S	S	*	*			trans	-85.5	94.2	175.1	-79.3	-81.3	0	0	0	109.9	L293 L295	L293-F298 HydrophobicContact CB-CE2 4.46Å; L295-F298 HydrophobicContact CD2-CD2 4.12Å; L295-F298 PolarHBondContact O-N 3.4Å
299	R	37.8	Very low	34.4	Very low	161 Å²	161	103.6 Å²	103.6	61%	0.608	58%	0.577	S	S	*	*			trans	-66.5	154.4	167.4	-68.5	-179.1	171.4	-150	-6.7	110.4	S297 T305	S297-R299 PolarHBondContact O-N 3.12Å; R299-T305 PolarHBondContact NH1-OG1 3.26Å
300	P	36.7	Very low	34.7	Very low	82 Å²	82	105.4 Å²	105.4	53%	0.532	58%	0.578	S	S	.	*			trans	-53.3	146.2	168.2	23.7	-33.7	0	0	0	110.3	N302	P300-N302 PolarHBondContact O-N 2.86Å
301	V	41	Very low	34.7	Very low	126 Å²	126	106.7 Å²	106.7	76%	0.764	58%	0.582	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.5	2.5	-169.7	-174	0	0	0	0	113.3
302	N	41.7	Very low	35	Very low	109 Å²	109	105.2 Å²	105.2	58%	0.583	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-110.8	6.6	-166.9	-55.1	6.6	0	0	0	113.3	P300 E304	P300-N302 PolarHBondContact O-N 2.86Å; N302-E304 PolarHBondContact O-N 3.25Å; N302-E304 VanDerWaalsContact O-N 3.08Å
303	G	34.6	Very low	34.9	Very low	61 Å²	61	108.9 Å²	108.9	63%	0.629	59%	0.585	S	S	*	*			trans	77.6	-14.4	171.6	0	0	0	0	0	116.7	T305	G303-T305 PolarHBondContact O-N 3.29Å
304	E	33.9	Very low	34.9	Very low	112 Å²	112	109.1 Å²	109.1	52%	0.523	59%	0.594	S	S	.	*			trans	-65.2	118	177.8	-69.4	-177.4	164.1	0	0	111.7	N302 I306	N302-E304 PolarHBondContact O-N 3.25Å; N302-E304 VanDerWaalsContact O-N 3.08Å; E304-I306 PolarHBondContact O-N 2.84Å
305	T	31.9	Very low	34.9	Very low	86 Å²	86	114 Å²	114	53%	0.528	62%	0.615	S	S	.	*			trans	-88.3	82.1	177.7	-53.9	0	0	0	0	109.2	R299 G303 S307	R299-T305 PolarHBondContact NH1-OG1 3.26Å; G303-T305 PolarHBondContact O-N 3.29Å; T305-S307 PolarHBondContact O-N 2.85Å
306	I	34.5	Very low	34.3	Very low	95 Å²	95	117.7 Å²	117.7	49%	0.487	64%	0.643	S	S	.	*			trans	-67.6	104.6	172	-56.7	178.5	0	0	0	108.1	E304 Y308 F311	E304-I306 PolarHBondContact O-N 2.84Å; I306-Y308 PolarHBondContact O-N 3.41Å; I306-F311 HydrophobicContact CG2-CE2 4.21Å
307	S	28.2	Very low	33.9	Very low	71 Å²	71	122.9 Å²	122.9	50%	0.497	66%	0.657	S	S	.	*			trans	-74.7	106.5	171.8	-175	0	0	0	0	108.5	T305 A309 H310	T305-S307 PolarHBondContact O-N 2.85Å; S307-A309 PolarHBondContact O-N 3.46Å; S307-H310 PolarHBondContact O-N 2.89Å
308	Y	32.2	Very low	33.7	Very low	198 Å²	198	127.4 Å²	127.4	78%	0.776	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.3	-2.5	179.3	-74.8	-85.6	0	0	0	115	I306	I306-Y308 PolarHBondContact O-N 3.41Å
309	A	33.8	Very low	33.5	Very low	72 Å²	72	126.6 Å²	126.6	60%	0.595	68%	0.684	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.5	-13.6	171.1	0	0	0	0	0	114.3	S307	S307-A309 PolarHBondContact O-N 3.46Å
310	H	35.7	Very low	33.1	Very low	148 Å²	148	128.3 Å²	128.3	69%	0.685	70%	0.696	S	S	*	*	S	Bend	trans	-88.3	-8.6	-175	-105.7	64.2	0	0	0	115.8	S307	S307-H310 PolarHBondContact O-N 2.89Å
311	F	36.6	Very low	33	Very low	173 Å²	173	132.4 Å²	132.4	76%	0.759	71%	0.713	S	S	*	*	S	Bend	trans	-107.8	9.8	-178.1	-74.1	-83.8	0	0	0	114.1	I306	I306-F311 HydrophobicContact CG2-CE2 4.21Å
312	I	33.9	Very low	32.4	Very low	119 Å²	119	132.5 Å²	132.5	61%	0.61	71%	0.714	S	S	*	*			trans	-120.4	51.9	175.5	-41.6	179.8	0	0	0	109.5
313	Q	30.8	Very low	31.9	Very low	155 Å²	155	133 Å²	133	72%	0.724	72%	0.721	S	S	*	*			trans	-124	120.7	166	-74	-170.9	-16.5	0	0	108.8
314	P	31.7	Very low	31.8	Very low	127 Å²	127	139.7 Å²	139.7	83%	0.825	73%	0.733	S	S	*	*			trans	-65.5	139.6	166.7	29.1	-32.6	0	0	0	108.9	C316	P314-C316 PolarHBondContact O-N 3.22Å
315	N	29.5	Very low	31.6	Very low	163 Å²	163	140.3 Å²	140.3	87%	0.872	74%	0.744	S	S	*	*	S	Bend	trans	-47.4	118.6	179.2	-78.8	-37.3	0	0	0	112.2
316	C	27.6	Very low	31.6	Very low	116 Å²	116	139.8 Å²	139.8	78%	0.784	76%	0.756	S	S	*	*			trans	-175.4	102.1	152.9	-100.5	0	0	0	0	112.7	P314	P314-C316 PolarHBondContact O-N 3.22Å
317	Q	29.6	Very low	31.4	Very low	197 Å²	197	143.1 Å²	143.1	92%	0.921	77%	0.769	S	S	*	*			trans	-176.9	89.7	140	-104.1	160.6	101.3	0	0	111
318	L	30.2	Very low	31.7	Very low	164 Å²	164	145.8 Å²	145.8	86%	0.859	78%	0.782	S	S	*	*	P	Polyproline II helix	trans	-79.8	141.2	155.6	-115.2	78.8	0	0	0	108.5
319	P	32.3	Very low	31.6	Very low	123 Å²	123	143.4 Å²	143.4	80%	0.799	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-69.9	134.2	-179.4	27.9	-33.3	0	0	0	111.3	N321	P319-N321 PolarHBondContact O-N 2.96Å
320	K	28.1	Very low	31.5	Very low	197 Å²	197	146.5 Å²	146.5	86%	0.857	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-67	124.9	175.1	-60.7	170.4	-178.4	175.3	0	109.5
321	N	34.6	Very low	31.4	Very low	168 Å²	168	144.8 Å²	144.8	90%	0.898	79%	0.787	S	S	*	*			trans	-134.4	115.6	152.2	-96.3	-22.1	0	0	0	109.3	P319	P319-N321 PolarHBondContact O-N 2.96Å
322	T	29.8	Very low	31.1	Very low	128 Å²	128	145.2 Å²	145.2	79%	0.785	79%	0.791	S	S	*	*			trans	-77.8	146.8	-177	-48.2	0	0	0	0	110.4
323	V	31.1	Very low	31.1	Very low	121 Å²	121	147 Å²	147	73%	0.733	80%	0.801	S	S	*	*				168.7	116.7	123.1	155.9	0	0	0	0	112.9
324	K	32.9	Very low	31	Very low	200 Å²	200	146.5 Å²	146.5	87%	0.87	80%	0.803	S	S	*	*			trans	71.1	127.9	149.9	-71.6	174.7	-175.9	-178	0	122.5
325	V	28	Very low	30.8	Very low	125 Å²	125	144.2 Å²	144.2	76%	0.758	79%	0.79	S	S	*	*			trans	-84.7	153.7	178.1	169.8	0	0	0	0	111.6
326	G	31.8	Very low	30.6	Very low	76 Å²	76	144.7 Å²	144.7	78%	0.784	79%	0.787	S	S	*	*			trans	-149.9	119.6	155	0	0	0	0	0	109.9
327	H	30.2	Very low	30.8	Very low	164 Å²	164	147.2 Å²	147.2	76%	0.759	79%	0.791	S	S	*	*			trans	-88.4	153.8	179.8	-82.1	-101.1	0	0	0	112
328	T	34.8	Very low	30.9	Very low	127 Å²	127	144.9 Å²	144.9	78%	0.779	78%	0.783	S	S	*	*				159.2	111.6	115.7	46.5	0	0	0	0	109.5
329	M	30.2	Very low	30.7	Very low	149 Å²	149	144.3 Å²	144.3	73%	0.734	78%	0.78	S	S	*	*				87	138.8	92.9	-68.8	-59.8	-77.4	0	0	114.1
330	D	32.5	Very low	30.5	Very low	136 Å²	136	145.8 Å²	145.8	73%	0.727	78%	0.782	S	S	*	*			trans	67.6	152.2	162.5	-45.5	-32.5	0	0	0	119.1
331	T	34.4	Very low	30.5	Very low	113 Å²	113	142.1 Å²	142.1	69%	0.693	78%	0.778	S	S	*	*			cis	-161.5	149.4	-30.6	-85.8	0	0	0	0	106.3
332	E	29.1	Very low	30.2	Very low	181 Å²	181	137.1 Å²	137.1	85%	0.846	77%	0.766	S	S	*	*			trans	12.2	106.3	170.7	-63	-170.7	149	0	0	119.6
333	L	33.6	Very low	30	Very low	156 Å²	156	141.3 Å²	141.3	82%	0.817	77%	0.774	S	S	*	*			trans	-136.4	114.6	148.8	-81.4	-179.4	0	0	0	112.3
334	L	29.9	Very low	29.8	Very low	145 Å²	145	145.7 Å²	145.7	76%	0.759	78%	0.777	S	S	*	*			trans	52.6	102.4	137	-64.1	173.4	0	0	0	118.9
335	S	26.4	Very low	29.6	Very low	79 Å²	79	141 Å²	141	55%	0.552	77%	0.769	S	S	*	*				37.2	136.7	117.2	62.1	0	0	0	0	120.2
336	H	26.3	Very low	29.4	Very low	174 Å²	174	140.2 Å²	140.2	81%	0.806	76%	0.761	S	S	*	*			trans	80.1	93.3	171.6	-44.7	-75.9	0	0	0	115.6
337	I	31.8	Very low	29.3	Very low	169 Å²	169	141.5 Å²	141.5	87%	0.867	76%	0.757	S	S	*	*				-156.8	137	121.1	-97.2	146.1	0	0	0	108.7
338	L	30.1	Very low	29.1	Very low	147 Å²	147	140.5 Å²	140.5	77%	0.77	76%	0.757	S	S	*	*			trans	-78.4	153.4	-175.7	-74.4	143	0	0	0	112.4
339	L	26.8	Very low	28.8	Very low	152 Å²	152	139.1 Å²	139.1	80%	0.796	75%	0.75	S	S	*	*			trans	0.9	117.8	146.8	-70.4	155.3	0	0	0	116.7
340	N	29.3	Very low	28.7	Very low	154 Å²	154	141.1 Å²	141.1	82%	0.824	76%	0.755	S	S	*	*			trans	-119	86.8	164.1	-100.6	-38.7	0	0	0	111.4	G342	N340-G342 PolarHBondContact O-N 3.14Å
341	P	28.1	Very low	28.4	Very low	121 Å²	121	140.5 Å²	140.5	79%	0.786	76%	0.756	S	S	*	*			trans	-83.4	91.3	161.1	32.5	-28.1	0	0	0	108.7
342	G	26.6	Very low	28.1	Very low	62 Å²	62	143.5 Å²	143.5	64%	0.639	76%	0.762	S	S	*	*			trans	-135	56.7	-162.9	0	0	0	0	0	116.1	N340	N340-G342 PolarHBondContact O-N 3.14Å
343	F	27.2	Very low	28	Very low	216 Å²	216	144.3 Å²	144.3	95%	0.947	76%	0.763	S	S	*	*			trans	-132.6	93	160.7	-121.7	-89.1	0	0	0	111.2	S345	F343-S345 PolarHBondContact O-N 3.44Å
344	R	25.2	Very low	27.8	Very low	213 Å²	213	145 Å²	145	80%	0.804	76%	0.762	S	S	*	*			trans	-88.8	97.6	-174.8	-147.5	-176.4	-163.3	-94.1	10	109.5	N346	R344-N346 PolarHBondContact NH1-OD1 3.05Å
345	S	28.6	Very low	27.7	Very low	102 Å²	102	146 Å²	146	71%	0.713	76%	0.763	S	S	*	*			trans	-90.5	96.3	167.5	-176.8	0	0	0	0	109.4	F343 C347	F343-S345 PolarHBondContact O-N 3.44Å; S345-C347 PolarHBondContact O-N 3.38Å; S345-C347 VanDerWaalsContact O-N 3.15Å
346	N	25	Very low	27.7	Very low	109 Å²	109	147 Å²	147	58%	0.583	78%	0.775	S	S	*	*			trans	-67.5	108.5	177.1	-66.4	-19.7	0	0	0	110.4	R344	R344-N346 PolarHBondContact NH1-OD1 3.05Å
347	C	28.6	Very low	27.9	Very low	102 Å²	102	144 Å²	144	69%	0.689	78%	0.775	S	S	*	*			trans	-139.4	66.1	173	-73.8	0	0	0	0	110.1	S345 P349	S345-C347 PolarHBondContact O-N 3.38Å; S345-C347 VanDerWaalsContact O-N 3.15Å; C347-P349 WeakPolarHBondContact O-CD 3.28Å
348	D	26.5	Very low	27.9	Very low	143 Å²	143	141.9 Å²	141.9	77%	0.765	77%	0.769	S	S	*	*			trans	-82.6	115.8	171	-65.3	-51.1	0	0	0	110.7
349	P	28.3	Very low	28.1	Very low	98 Å²	98	141.7 Å²	141.7	64%	0.636	77%	0.767	S	S	*	*			trans	-89.2	148.7	152.3	34.5	-30.6	0	0	0	109.9	C347	C347-P349 WeakPolarHBondContact O-CD 3.28Å
350	F	28.2	Very low	28.3	Very low	192 Å²	192	139.6 Å²	139.6	84%	0.842	76%	0.763	S	S	*	*			trans	87.2	47.2	173.8	-52.9	-75.5	0	0	0	119.6
351	T	27.2	Very low	28.6	Very low	122 Å²	122	139.3 Å²	139.3	75%	0.748	76%	0.761	S	S	*	*			trans	-139.5	82.7	153.7	40.6	0	0	0	0	112.8
352	H	28.2	Very low	28.7	Very low	177 Å²	177	137.9 Å²	137.9	82%	0.819	75%	0.754	S	S	*	*			trans	-147.5	149.9	156.4	-107.4	-71	0	0	0	110.6
353	F	26	Very low	29.1	Very low	198 Å²	198	141.4 Å²	141.4	87%	0.868	76%	0.758	S	S	*	*			trans	78.2	57.2	-172.5	-49.2	-68.8	0	0	0	116.4
354	H	30.2	Very low	29.5	Very low	171 Å²	171	140 Å²	140	79%	0.792	75%	0.752	S	S	*	*	S	Bend	trans	-112.6	118.4	132.4	-130	-79.3	0	0	0	109.5
355	E	27	Very low	29.8	Very low	165 Å²	165	133.7 Å²	133.7	77%	0.771	74%	0.741	S	S	*	*			trans	32.7	109.8	140.2	-146.4	149.3	-139.9	0	0	118.9	S357	E355-S357 PolarHBondContact O-N 2.86Å
356	A	27.3	Very low	30	Very low	99 Å²	99	138.8 Å²	138.8	82%	0.818	74%	0.744	S	S	*	*			trans	-71.2	98.8	173	0	0	0	0	0	111.3
357	S	30.3	Very low	30.4	Very low	113 Å²	113	143.9 Å²	143.9	79%	0.79	76%	0.755	S	S	*	*			trans	-80.5	111.9	163.4	-175.4	0	0	0	0	109.5	E355	E355-S357 PolarHBondContact O-N 2.86Å
358	V	32.2	Very low	30.7	Very low	123 Å²	123	142.7 Å²	142.7	75%	0.745	75%	0.748	S	S	*	*			trans	-87.8	114.4	174.7	175.4	0	0	0	0	108.8	P360	V358-P360 WeakPolarHBondContact O-CD 3.48Å
359	I	34.4	Very low	31.2	Very low	143 Å²	143	144.8 Å²	144.8	73%	0.733	75%	0.751	S	S	*	*			trans	-76.4	122.4	169.2	-60	171.4	0	0	0	108.1
360	P	30.9	Very low	31.5	Very low	108 Å²	108	147.1 Å²	147.1	70%	0.701	76%	0.757	S	S	*	*			trans	-87.7	130.7	174.3	33.5	-29.9	0	0	0	110.3	V358	V358-P360 WeakPolarHBondContact O-CD 3.48Å
361	N	34.2	Very low	31.8	Very low	148 Å²	148	145.1 Å²	145.1	79%	0.791	76%	0.755	S	S	*	*			trans	-130.7	108.2	157.6	-97.1	-24.5	0	0	0	110
362	S	31.6	Very low	31.9	Very low	91 Å²	91	146.4 Å²	146.4	64%	0.636	76%	0.757	S	S	*	*			trans	-4.8	122.8	153.3	46.6	0	0	0	0	117.5
363	N	33.2	Very low	32.1	Very low	136 Å²	136	143.8 Å²	143.8	73%	0.727	76%	0.759	S	S	*	*				174	161.6	94	-88.9	-51.1	0	0	0	114.2
364	F	35.6	Very low	32.3	Very low	187 Å²	187	141.4 Å²	141.4	82%	0.82	76%	0.761	S	S	*	*			trans	67.7	96.4	163.6	-77.1	-74.3	0	0	0	121.8
365	S	32.4	Very low	32.6	Very low	80 Å²	80	139.5 Å²	139.5	56%	0.559	76%	0.761	S	S	*	*				83.9	109.8	119.1	-89.3	0	0	0	0	122.5
366	R	33.8	Very low	32.9	Very low	210 Å²	210	138.9 Å²	138.9	79%	0.792	76%	0.761	S	S	*	*				100.1	118.2	122	-83.1	-169	-92.5	-127.6	3.5	120.1
367	R	33.3	Very low	33	Very low	216 Å²	216	139.6 Å²	139.6	82%	0.815	76%	0.758	S	S	*	*			trans	90.2	89.5	139.9	-71.9	-177.5	178.5	-157.7	-0.4	119.7
368	S	33.6	Very low	32.9	Very low	76 Å²	76	139.3 Å²	139.3	53%	0.531	76%	0.756	S	S	.	*				50.7	126.9	107	66.7	0	0	0	0	118.2
369	F	36.6	Very low	33.2	Very low	188 Å²	188	140.1 Å²	140.1	83%	0.825	76%	0.761	S	S	*	*				-164.5	156.4	52.6	-83.9	-77.3	0	0	0	113
370	L	35	Very low	33	Very low	147 Å²	147	140.5 Å²	140.5	77%	0.77	76%	0.764	S	S	*	*			trans	-32.9	145.5	159.2	-62.2	135.1	0	0	0	114.1
371	N	34.5	Very low	33.2	Very low	150 Å²	150	141.1 Å²	141.1	80%	0.802	77%	0.767	S	S	*	*				-171.9	167.9	56.7	-120.9	-18.9	0	0	0	113.7
372	N	28.7	Very low	33.1	Very low	149 Å²	149	139.3 Å²	139.3	80%	0.797	75%	0.753	S	S	*	*			trans	-67.4	142.6	-176.2	-72.5	-22	0	0	0	115.6
373	S	33.3	Very low	33.1	Very low	121 Å²	121	146 Å²	146	85%	0.846	77%	0.765	S	S	*	*			trans	-154.9	126.8	137	-84.3	0	0	0	0	111	V375	S373-V375 PolarHBondContact O-N 3.37Å
374	T	29.4	Very low	33	Very low	148 Å²	148	146.6 Å²	146.6	91%	0.908	76%	0.763	S	S	*	*			trans	-83.2	108.5	-164.2	-21.8	0	0	0	0	111.8
375	V	37.7	Very low	32.7	Very low	131 Å²	131	145.5 Å²	145.5	79%	0.794	76%	0.76	S	S	*	*			trans	-129.9	133.4	168.6	-177.1	0	0	0	0	109.7	S373	S373-V375 PolarHBondContact O-N 3.37Å
376	I	33.2	Very low	32.5	Very low	152 Å²	152	146.5 Å²	146.5	78%	0.779	77%	0.767	S	S	*	*			trans	-66.1	141.5	-178	-59.5	159.6	0	0	0	110.6
377	P	29.5	Very low	32.3	Very low	115 Å²	115	142.9 Å²	142.9	75%	0.747	77%	0.768	S	S	*	*			trans	-130	130.1	139.2	15.6	4.9	0	0	0	113.4	T379	P377-T379 PolarHBondContact O-N 2.81Å
378	S	28.5	Very low	32.5	Very low	107 Å²	107	138.6 Å²	138.6	75%	0.748	77%	0.766	S	S	*	*			trans	-62.4	121.2	174	-42.3	0	0	0	0	111.9	N380	S378-N380 PolarHBondContact O-N 3.49Å; S378-N380 VanDerWaalsContact O-N 3.08Å
379	T	36.9	Very low	32.4	Very low	140 Å²	140	140.2 Å²	140.2	86%	0.859	78%	0.777	S	S	*	*			trans	-78.6	95.3	173.5	43.3	0	0	0	0	111.4	P377 T381	P377-T379 PolarHBondContact O-N 2.81Å; T379-T381 PolarHBondContact O-N 3.25Å
380	N	31.7	Very low	32.1	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	78%	0.782	S	S	*	*			trans	-58.1	121.6	169	-100.1	-35.9	0	0	0	110.8	S378 H382	S378-N380 PolarHBondContact O-N 3.49Å; S378-N380 VanDerWaalsContact O-N 3.08Å; N380-H382 HydrophobicContact CB-CB 4.42Å; N380-H382 PolarHBondContact O-N 2.91Å
381	T	34.4	Very low	32	Very low	122 Å²	122	142.1 Å²	142.1	75%	0.748	79%	0.787	S	S	*	*			trans	-82.1	69.2	163.1	34.7	0	0	0	0	109.6	T379	T379-T381 PolarHBondContact O-N 3.25Å
382	H	32.3	Very low	31.8	Very low	109 Å²	109	146.1 Å²	146.1	51%	0.505	79%	0.791	S	S	.	*			trans	-91.5	98.2	176	-176.2	-98	0	0	0	109.9	N380 H384	N380-H382 HydrophobicContact CB-CB 4.42Å; N380-H382 PolarHBondContact O-N 2.91Å; H382-H384 AromaticContact CE1-CD2 3.78Å; H382-H384 AromaticContact CE1-CE1 3.51Å; H382-H384 AromaticContact CE1-CG 3.51Å; H382-H384 AromaticContact CE1-ND1 3.34Å; H382-H384 PolarHBondContact CE1-ND1 2.86Å; H382-H384 VanDerWaalsContact CE1-ND1 3.34Å; H382-H384 AromaticContact CE1-NE2 3.74Å; H382-H384 AromaticContact ND1-CD2 3.06Å; H382-H384 PolarHBondContact ND1-CD2 2.96Å; H382-H384 AromaticContact ND1-CE1 3.26Å; H382-H384 PolarHBondContact ND1-CE1 3.31Å; H382-H384 VanDerWaalsContact ND1-CE1 3.26Å; H382-H384 AromaticContact ND1-CG 3.28Å; H382-H384 VanDerWaalsContact ND1-CG 3.28Å; H382-H384 AromaticContact ND1-ND1 3.4Å; H382-H384 PolarHBondContact ND1-ND1 3.47Å; H382-H384 AromaticContact ND1-NE2 3.01Å; H382-H384 PolarHBondContact ND1-NE2 3.48Å; H382-H384 PolarHBondContact O-CD2 3.1Å; H382-H384 PolarHBondContact O-N 3.38Å; H382-H384 VanDerWaalsContact O-N 3.16Å
383	W	31	Very low	32.2	Very low	233 Å²	233	148.1 Å²	148.1	88%	0.883	80%	0.796	S	S	*	*			trans	-70.6	106.2	162.4	-76.5	103.3	0	0	0	107.9	H385	W383-H385 PolarHBondContact O-N 3.44Å; W383-H385 VanDerWaalsContact O-N 3.1Å
384	H	31.9	Very low	32.3	Very low	148 Å²	148	154 Å²	154	69%	0.685	80%	0.799	S	S	*	*			trans	-62.1	113.5	-177.7	-79.2	-100.1	0	0	0	110.8	H382 S386	H382-H384 AromaticContact CE1-CD2 3.78Å; H382-H384 AromaticContact CE1-CE1 3.51Å; H382-H384 AromaticContact CE1-CG 3.51Å; H382-H384 AromaticContact CE1-ND1 3.34Å; H382-H384 PolarHBondContact CE1-ND1 2.86Å; H382-H384 VanDerWaalsContact CE1-ND1 3.34Å; H382-H384 AromaticContact CE1-NE2 3.74Å; H382-H384 AromaticContact ND1-CD2 3.06Å; H382-H384 PolarHBondContact ND1-CD2 2.96Å; H382-H384 AromaticContact ND1-CE1 3.26Å; H382-H384 PolarHBondContact ND1-CE1 3.31Å; H382-H384 VanDerWaalsContact ND1-CE1 3.26Å; H382-H384 AromaticContact ND1-CG 3.28Å; H382-H384 VanDerWaalsContact ND1-CG 3.28Å; H382-H384 AromaticContact ND1-ND1 3.4Å; H382-H384 PolarHBondContact ND1-ND1 3.47Å; H382-H384 AromaticContact ND1-NE2 3.01Å; H382-H384 PolarHBondContact ND1-NE2 3.48Å; H382-H384 PolarHBondContact O-CD2 3.1Å; H382-H384 PolarHBondContact O-N 3.38Å; H382-H384 VanDerWaalsContact O-N 3.16Å; H384-S386 PolarHBondContact O-N 2.95Å
385	H	28.5	Very low	32.4	Very low	163 Å²	163	154.3 Å²	154.3	76%	0.755	80%	0.796	S	S	*	*			trans	-64.8	98.1	160.4	-69.6	-77.3	0	0	0	108.7	W383 T387	W383-H385 PolarHBondContact O-N 3.44Å; W383-H385 VanDerWaalsContact O-N 3.1Å; H385-T387 VanDerWaalsContact C-N 3.28Å; H385-T387 PolarHBondContact O-N 3.41Å
386	S	29.5	Very low	32.4	Very low	101 Å²	101	154.2 Å²	154.2	71%	0.706	80%	0.797	S	S	*	*			trans	-73.3	85	169.5	-66.9	0	0	0	0	109.9	H384 T388	H384-S386 PolarHBondContact O-N 2.95Å; S386-T388 VanDerWaalsContact C-N 3.32Å; S386-T388 PolarHBondContact O-N 3.14Å; S386-T388 VanDerWaalsContact O-N 3.1Å
387	T	28.8	Very low	32.3	Very low	134 Å²	134	152.1 Å²	152.1	82%	0.822	80%	0.796	S	S	*	*			trans	-73.6	87.3	161.4	44.6	0	0	0	0	108.9	H385	H385-T387 VanDerWaalsContact C-N 3.28Å; H385-T387 PolarHBondContact O-N 3.41Å
388	T	36.8	Very low	32.5	Very low	127 Å²	127	152.1 Å²	152.1	78%	0.779	80%	0.799	S	S	*	*			trans	-102.5	117.4	167.9	45.5	0	0	0	0	110	S386	S386-T388 VanDerWaalsContact C-N 3.32Å; S386-T388 PolarHBondContact O-N 3.14Å; S386-T388 VanDerWaalsContact O-N 3.1Å
389	S	32.2	Very low	32.8	Very low	109 Å²	109	152 Å²	152	76%	0.762	80%	0.799	S	S	*	*			trans	-63.4	149.9	-178.5	37.3	0	0	0	0	112.7	N391	S389-N391 PolarHBondContact O-N 3.29Å
390	F	30	Very low	32.6	Very low	210 Å²	210	150.2 Å²	150.2	92%	0.921	79%	0.792	S	S	*	*			trans	-42.9	129	167.8	-63.2	-92.8	0	0	0	112.1
391	N	33.8	Very low	32.6	Very low	166 Å²	166	149.2 Å²	149.2	89%	0.888	79%	0.791	S	S	*	*			trans	-129.8	142.3	155.4	-142.7	-20.7	0	0	0	110.6	S389	S389-N391 PolarHBondContact O-N 3.29Å
392	R	29	Very low	32.5	Very low	234 Å²	234	150.6 Å²	150.6	88%	0.883	79%	0.794	S	S	*	*			trans	-116.9	98.6	-155	-170.2	-163.7	-51.7	-126.5	4.3	109.5
393	Q	36.8	Very low	32.3	Very low	191 Å²	191	149.6 Å²	149.6	89%	0.893	80%	0.798	S	S	*	*			trans	-126.3	158.9	174.7	-87.8	-179.1	-22.6	0	0	112.7
394	R	35.3	Very low	32.6	Very low	243 Å²	243	143.7 Å²	143.7	92%	0.917	78%	0.784	S	S	*	*			trans	-93	151.2	-153.3	-59.3	167.9	-172.4	156.8	2.1	112.2
395	N	32.6	Very low	33	Very low	156 Å²	156	141.5 Å²	141.5	83%	0.834	78%	0.781	S	S	*	*			trans	-57.4	158	164.7	-67.4	-11.9	0	0	0	111.3
396	P	36.6	Very low	34.1	Very low	128 Å²	128	138.1 Å²	138.1	83%	0.831	76%	0.764	S	S	*	*				-125.9	153.9	111.6	30.5	-20.9	0	0	0	114.1
397	S	31.9	Very low	35.4	Very low	108 Å²	108	137.2 Å²	137.2	76%	0.755	77%	0.771	S	S	*	*			trans	-70.4	140.3	-175.7	46.2	0	0	0	0	115.8
398	S	33.9	Very low	37.2	Very low	115 Å²	115	134.5 Å²	134.5	80%	0.804	75%	0.746	S	S	*	*				176.5	167.8	126.1	39.3	0	0	0	0	113
399	S	34.3	Very low	38.9	Very low	106 Å²	106	132 Å²	132	74%	0.741	73%	0.732	S	S	*	*			trans	67.7	94.3	172.7	61.5	0	0	0	0	120.5
400	S	32.1	Very low	41.2	Very low	102 Å²	102	129.4 Å²	129.4	71%	0.713	71%	0.709	S	S	*	*				47.2	113.1	126.1	59	0	0	0	0	122.1
401	T	31.9	Very low	43.7	Very low	128 Å²	128	120 Å²	120	79%	0.785	67%	0.669	S	S	*	*			trans	65.2	80.5	131.2	-35.3	0	0	0	0	118.8
402	N	34	Very low	45.9	Very low	151 Å²	151	113.2 Å²	113.2	81%	0.807	63%	0.633	S	S	*	*			trans	-171	102.9	139.9	-99.2	-27.1	0	0	0	111.1	N404	N402-N404 VanDerWaalsContact C-N 3.27Å; N402-N404 PolarHBondContact O-N 2.88Å
403	C	27.1	Very low	48.3	Very low	88 Å²	88	109.1 Å²	109.1	60%	0.595	63%	0.628	S	S	*	*			trans	-84.6	49.3	-176	56.7	0	0	0	0	114	V405	C403-V405 VanDerWaalsContact C-N 3.26Å; C403-V405 PolarHBondContact O-N 2.87Å; C403-V405 VanDerWaalsContact O-N 3.08Å
404	N	37.9	Very low	50.5	Low	110 Å²	110	103.3 Å²	103.3	59%	0.588	61%	0.608	S	S	*	*			trans	-83.9	70.1	168.4	-74.9	-4.6	0	0	0	110.2	N402 F406	N402-N404 VanDerWaalsContact C-N 3.27Å; N402-N404 PolarHBondContact O-N 2.88Å; N404-F406 PolarHBondContact O-N 3.44Å; N404-F406 VanDerWaalsContact O-N 3.1Å
405	V	40.4	Very low	53	Low	101 Å²	101	92 Å²	92	61%	0.612	57%	0.566	S	S	*	*			trans	-68.4	-7.8	-174.1	178.8	0	0	0	0	113.3	C403	C403-V405 VanDerWaalsContact C-N 3.26Å; C403-V405 PolarHBondContact O-N 2.87Å; C403-V405 VanDerWaalsContact O-N 3.08Å
406	F	51.7	Low	55.7	Low	93 Å²	93	88.5 Å²	88.5	41%	0.408	55%	0.547	S	S	.	.	S	Bend	trans	-134.4	135.7	164.2	-66.2	-83.8	0	0	0	108.9	N404 Y408 S466	N404-F406 PolarHBondContact O-N 3.44Å; N404-F406 VanDerWaalsContact O-N 3.1Å; F406-Y408 HydrophobicContact CB-CD2 4.26Å; F406-Y408 HydrophobicContact CB-CE2 4.32Å; F406-Y408 PolarHBondContact O-N 2.71Å; F406-S466 WeakPolarHBondContact CD1-OG 3.43Å; F406-S466 VanDerWaalsContact CD2-OG 3.27Å; F406-S466 WeakPolarHBondContact CD2-OG 3.48Å; F406-S466 WeakPolarHBondContact CE1-OG 3.26Å; F406-S466 WeakPolarHBondContact CE2-OG 3.15Å; F406-S466 WeakPolarHBondContact CG-OG 3.25Å; F406-S466 WeakPolarHBondContact CZ-OG 3.38Å
407	G	57	Low	58.1	Low	82 Å²	82	82.9 Å²	82.9	85%	0.845	51%	0.51	S	S	*	.	S	Bend	trans	-73.8	52.8	-165.3	0	0	0	0	0	116.4
408	Y	66.2	Low	60.7	Low	77 Å²	77	82 Å²	82	30%	0.302	49%	0.493	S	S	.	.	S	Bend	trans	-116	145.7	170.3	-54.7	-68.8	0	0	0	109.4	F406 L419 R463 F464	F406-Y408 HydrophobicContact CB-CD2 4.26Å; F406-Y408 HydrophobicContact CB-CE2 4.32Å; F406-Y408 PolarHBondContact O-N 2.71Å; Y408-L419 HydrophobicContact CD1-CD1 4.23Å; Y408-L419 HydrophobicContact CD1-CD2 4.32Å; Y408-L419 HydrophobicContact CE1-CD1 4.24Å; Y408-R463 PolarHBondContact OH-O 3.12Å; Y408-F464 HydrophobicContact CD1-CE1 4.43Å; Y408-F464 HydrophobicContact CE1-CD1 4.37Å; Y408-F464 AromaticContact CE1-CE1 3.81Å; Y408-F464 HydrophobicContact CE1-CE1 3.81Å; Y408-F464 AromaticContact CE2-CD1 3.92Å; Y408-F464 HydrophobicContact CE2-CD1 3.92Å; Y408-F464 HydrophobicContact CE2-CE1 4.13Å; Y408-F464 AromaticContact CZ-CD1 3.76Å; Y408-F464 AromaticContact CZ-CE1 3.66Å
409	P	72.9	Confident	63.2	Low	74 Å²	74	77.9 Å²	77.9	48%	0.481	46%	0.462	S	S	.	.			trans	-62.1	157.1	165	30.3	-35.1	0	0	0	109.8	P411	P409-P411 WeakPolarHBondContact O-CD 3.29Å
410	D	80.4	Confident	65.7	Low	54 Å²	54	73 Å²	73	29%	0.289	43%	0.427	S	S	.	.			trans	-59.3	122	173.2	-173.9	-21.4	0	0	0	109.2	L412 L413 S414	D410-L412 PolarHBondContact O-N 2.74Å; D410-L412 VanDerWaalsContact O-N 3.08Å; D410-L412 WeakPolarHBondContact OD1-CB 3.5Å; D410-L412 PolarHBondContact OD1-N 3.42Å; D410-L413 HydrophobicContact CB-CB 4.34Å; D410-L413 HydrophobicContact CB-CD1 4.14Å; D410-L413 HydrophobicContact CB-CG 4.16Å; D410-L413 PolarHBondContact O-N 3.09Å; D410-S414 PolarHBondContact O-N 3.43Å
411	P	81.5	Confident	68.2	Low	12 Å²	12	69 Å²	69	8%	0.078	40%	0.398	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-11.4	178.2	30	-40.6	0	0	0	114	P409 Y415 K504 L507 K508	P409-P411 WeakPolarHBondContact O-CD 3.29Å; P411-Y415 WeakPolarHBondContact O-CB 3.36Å; P411-K504 HydrophobicContact CB-CB 4.41Å; P411-K504 HydrophobicContact CB-CG 4.26Å; P411-K504 VanDerWaalsContact O-CD 3.27Å; P411-K504 WeakPolarHBondContact O-CD 3.48Å; P411-K504 WeakPolarHBondContact O-CE 3.43Å; P411-K504 PolarHBondContact O-NZ 3.15Å; P411-K504 VanDerWaalsContact O-NZ 3.16Å; P411-L507 HydrophobicContact CB-CB 3.86Å; P411-L507 HydrophobicContact CB-CD1 3.87Å; P411-L507 HydrophobicContact CG-CB 3.7Å; P411-K508 HydrophobicContact CG-CD 4.39Å; P411-K508 HydrophobicContact CG-CG 3.56Å
412	L	80.3	Confident	70.3	Confident	25 Å²	25	63.9 Å²	63.9	13%	0.131	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	-32.1	169.3	-58.2	-163.5	0	0	0	112.6	D410 K504 K508 L567 E568	D410-L412 PolarHBondContact O-N 2.74Å; D410-L412 VanDerWaalsContact O-N 3.08Å; D410-L412 WeakPolarHBondContact OD1-CB 3.5Å; D410-L412 PolarHBondContact OD1-N 3.42Å; L412-K504 HydrophobicContact CD2-CB 4.49Å; L412-K504 HydrophobicContact CD2-CD 4.13Å; L412-K508 HydrophobicContact CD1-CD 4.23Å; L412-K508 HydrophobicContact CD2-CD 4.04Å; L412-K508 HydrophobicContact CG-CD 3.94Å; L412-L567 WeakPolarHBondContact CD1-O 3.21Å; L412-L567 HydrophobicContact CD2-CD2 4.13Å; L412-E568 HydrophobicContact CD1-CB 3.87Å; L412-E568 HydrophobicContact CD1-CG 4.23Å
413	L	80	Confident	71.9	Confident	147 Å²	147	59.3 Å²	59.3	77%	0.77	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-37.3	-179.4	-62.4	177.5	0	0	0	112.7	D410	D410-L413 HydrophobicContact CB-CB 4.34Å; D410-L413 HydrophobicContact CB-CD1 4.14Å; D410-L413 HydrophobicContact CB-CG 4.16Å; D410-L413 PolarHBondContact O-N 3.09Å
414	S	81.7	Confident	73.4	Confident	69 Å²	69	61.5 Å²	61.5	48%	0.483	35%	0.346	S	S	.	.			trans	-149.5	102.4	179.3	-169.6	0	0	0	0	110.6	D410	D410-S414 PolarHBondContact O-N 3.43Å
415	Y	89.2	Confident	74.2	Confident	6 Å²	6	61.5 Å²	61.5	2%	0.024	35%	0.345	C	S	.	.			trans	-108.6	125.7	175.7	167.8	-101.4	0	0	0	111.2	P411 P417 V500 E503 K504 L507 E577 H581	P411-Y415 WeakPolarHBondContact O-CB 3.36Å; Y415-P417 HydrophobicContact CD1-CG 4.32Å; Y415-P417 HydrophobicContact CE1-CB 4.27Å; Y415-P417 HydrophobicContact CE1-CG 3.87Å; Y415-V500 HydrophobicContact CD1-CG1 3.99Å; Y415-V500 HydrophobicContact CE1-CB 4.42Å; Y415-V500 HydrophobicContact CE1-CG1 3.77Å; Y415-V500 HydrophobicContact CE1-CG2 4.16Å; Y415-E503 HydrophobicContact CE2-CB 3.83Å; Y415-E503 VanDerWaalsContact OH-CD 3.22Å; Y415-E503 PolarHBondContact OH-OE2 3.11Å; Y415-K504 HydrophobicContact CD2-CG 4.16Å; Y415-K504 HydrophobicContact CG-CG 4.26Å; Y415-L507 HydrophobicContact CD2-CD1 3.85Å; Y415-L507 HydrophobicContact CE2-CD1 4Å; Y415-E577 HydrophobicContact CD1-CB 3.88Å; Y415-E577 HydrophobicContact CD1-CG 3.8Å; Y415-E577 HydrophobicContact CE1-CB 4.24Å; Y415-H581 AromaticContact CZ-NE2 3.85Å; Y415-H581 PolarHBondContact OH-CE1 3.38Å; Y415-H581 PolarHBondContact OH-NE2 3.07Å
416	N	87.8	Confident	74.9	Confident	83 Å²	83	58.2 Å²	58.2	44%	0.444	32%	0.324	S	S	.	.			trans	-101.4	115.8	173.6	178	-19.2	0	0	0	109.6	F418 L419	N416-F418 PolarHBondContact O-N 3.43Å; N416-F418 PolarHBondContact OD1-N 3.35Å; N416-L419 HydrophobicContact CB-CB 4.2Å; N416-L419 VanDerWaalsContact O-CB 3.26Å; N416-L419 WeakPolarHBondContact O-CB 3.44Å; N416-L419 PolarHBondContact O-N 3.02Å
417	P	88.2	Confident	75.2	Confident	10 Å²	10	58 Å²	58	7%	0.065	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-15.5	179.9	-29.8	38.6	0	0	0	116.2	Y415 E577 P580 R584	Y415-P417 HydrophobicContact CD1-CG 4.32Å; Y415-P417 HydrophobicContact CE1-CB 4.27Å; Y415-P417 HydrophobicContact CE1-CG 3.87Å; P417-E577 WeakPolarHBondContact CG-O 3.18Å; P417-P580 HydrophobicContact CB-CB 3.87Å; P417-P580 HydrophobicContact CB-CG 4.07Å; P417-P580 HydrophobicContact CG-CB 4.35Å; P417-P580 HydrophobicContact CG-CG 4Å; P417-R584 VanDerWaalsContact C-NH2 3.32Å; P417-R584 PolarHBondContact O-NH1 3.06Å; P417-R584 PolarHBondContact O-NH2 2.96Å
418	F	86.2	Confident	75.1	Confident	90 Å²	90	58 Å²	58	40%	0.395	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	-1.6	179	-56.5	-88.6	0	0	0	113	N416 P580	N416-F418 PolarHBondContact O-N 3.43Å; N416-F418 PolarHBondContact OD1-N 3.35Å; F418-P580 HydrophobicContact CE2-CB 4.09Å; F418-P580 HydrophobicContact CE2-CG 4.35Å; F418-P580 HydrophobicContact CZ-CB 3.94Å
419	L	87.1	Confident	74.6	Confident	28 Å²	28	56.3 Å²	56.3	15%	0.147	32%	0.315	C	S	.	.	S	Bend	trans	-64.2	-53.3	-178.3	177.4	59.1	0	0	0	112.2	Y408 N416 R463 F464 L507	Y408-L419 HydrophobicContact CD1-CD1 4.23Å; Y408-L419 HydrophobicContact CD1-CD2 4.32Å; Y408-L419 HydrophobicContact CE1-CD1 4.24Å; N416-L419 HydrophobicContact CB-CB 4.2Å; N416-L419 VanDerWaalsContact O-CB 3.26Å; N416-L419 WeakPolarHBondContact O-CB 3.44Å; N416-L419 PolarHBondContact O-N 3.02Å; L419-R463 VanDerWaalsContact O-CZ 3.25Å; L419-R463 PolarHBondContact O-NH1 2.66Å; L419-F464 HydrophobicContact CD1-CE1 4.21Å; L419-F464 HydrophobicContact CD1-CZ 3.95Å; L419-F464 HydrophobicContact CG-CE1 4.3Å; L419-F464 HydrophobicContact CG-CZ 4.03Å; L419-F464 WeakPolarHBondContact O-CZ 3.48Å; L419-L507 HydrophobicContact CD2-CD1 4.13Å; L419-L507 HydrophobicContact CD2-CD2 4.04Å
420	L	86.2	Confident	74.1	Confident	3 Å²	3	54.4 Å²	54.4	2%	0.016	31%	0.309	C	S	.	.	S	Bend	trans	-91.9	-38.7	-168.2	-166.4	67.1	0	0	0	113.1	F460 F464 I467 L474 E503 V506 L507	L420-F460 HydrophobicContact CD1-CE2 3.74Å; L420-F460 HydrophobicContact CD1-CZ 3.77Å; L420-F460 HydrophobicContact CG-CE2 4.24Å; L420-F460 HydrophobicContact CG-CZ 4.5Å; L420-F460 WeakPolarHBondContact O-CE2 3.23Å; L420-F464 HydrophobicContact CD1-CD2 4.12Å; L420-F464 HydrophobicContact CD1-CE1 4.49Å; L420-F464 HydrophobicContact CD1-CE2 3.9Å; L420-F464 HydrophobicContact CD1-CZ 4.1Å; L420-I467 HydrophobicContact CD1-CD1 3.65Å; L420-L474 HydrophobicContact CD2-CD1 3.52Å; L420-L474 HydrophobicContact CG-CD1 4Å; L420-E503 HydrophobicContact CD2-CB 4.03Å; L420-E503 HydrophobicContact CD2-CG 3.82Å; L420-V506 HydrophobicContact CD2-CB 3.91Å; L420-V506 HydrophobicContact CD2-CG1 3.94Å; L420-V506 HydrophobicContact CD2-CG2 4.4Å; L420-L507 HydrophobicContact CD1-CD2 4.07Å
421	D	83.9	Confident	73.5	Confident	18 Å²	18	57 Å²	57	10%	0.096	32%	0.318	C	S	.	.			trans	-133.5	78.7	-177.2	-167.5	6.2	0	0	0	111.8	P423 L471 L474 R475 R584	D421-P423 WeakPolarHBondContact O-CD 3.49Å; D421-L471 HydrophobicContact CB-CD1 4.15Å; D421-L474 HydrophobicContact CB-CD2 4.37Å; D421-R475 IonicContact OD1-CZ 3.56Å; D421-R475 IonicContact OD1-NE 2.78Å; D421-R475 PolarHBondContact OD1-NE 3.4Å; D421-R475 IonicContact OD1-NH2 2.73Å; D421-R475 PolarHBondContact OD1-NH2 3.23Å; D421-R475 VanDerWaalsContact OD2-CG 3.32Å; D421-R475 WeakPolarHBondContact OD2-CG 3.35Å; D421-R475 IonicContact OD2-NE 3.63Å; D421-R584 PolarHBondContact O-NH1 2.83Å
422	D	76.7	Confident	73	Confident	21 Å²	21	65 Å²	65	11%	0.112	35%	0.346	C	S	.	.			trans	-79.3	119	172.5	-164.9	-53.3	0	0	0	110.7	E424 L425 R475	D422-E424 WeakPolarHBondContact OD1-CA 3.36Å; D422-E424 PolarHBondContact OD1-N 3.14Å; D422-L425 HydrophobicContact CB-CB 4.18Å; D422-L425 HydrophobicContact CB-CD1 4.46Å; D422-L425 HydrophobicContact CB-CG 4.46Å; D422-L425 PolarHBondContact OD1-N 3.47Å; D422-L425 VanDerWaalsContact OD2-CD1 3.25Å; D422-L425 WeakPolarHBondContact OD2-CD1 3.28Å; D422-L425 WeakPolarHBondContact OD2-CG 3.45Å; D422-R475 PolarHBondContact O-NH2 2.98Å
423	P	67.6	Low	72.7	Confident	54 Å²	54	67.3 Å²	67.3	35%	0.351	36%	0.361	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.1	-18.3	179.8	30	-31.9	0	0	0	113.9	D421 V427	D421-P423 WeakPolarHBondContact O-CD 3.49Å; P423-V427 WeakPolarHBondContact O-CG2 3.26Å
424	E	58.9	Low	72.7	Confident	134 Å²	134	64.1 Å²	64.1	63%	0.626	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.3	-41.1	-171.6	-52.1	-160	158.9	0	0	111.9	D422 L426 K587	D422-E424 WeakPolarHBondContact OD1-CA 3.36Å; D422-E424 PolarHBondContact OD1-N 3.14Å; E424-L426 PolarHBondContact O-N 3.09Å; E424-K587 IonicContact OE1-NZ 2.65Å; E424-K587 PolarHBondContact OE1-NZ 2.94Å
425	L	54.7	Low	72.7	Confident	111 Å²	111	69.7 Å²	69.7	58%	0.581	36%	0.36	S	S	*	.	G	3₁₀ helix	trans	-68.8	-29	-177.3	-67.7	-178.2	0	0	0	114.3	D422 V427	D422-L425 HydrophobicContact CB-CB 4.18Å; D422-L425 HydrophobicContact CB-CD1 4.46Å; D422-L425 HydrophobicContact CB-CG 4.46Å; D422-L425 PolarHBondContact OD1-N 3.47Å; D422-L425 VanDerWaalsContact OD2-CD1 3.25Å; D422-L425 WeakPolarHBondContact OD2-CD1 3.28Å; D422-L425 WeakPolarHBondContact OD2-CG 3.45Å; L425-V427 VanDerWaalsContact C-N 3.31Å; L425-V427 PolarHBondContact O-N 3.17Å
426	L	55.6	Low	72.4	Confident	32 Å²	32	74 Å²	74	17%	0.168	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-88.2	12.6	-174.3	-74.5	163.4	0	0	0	114.9	E424 L471	E424-L426 PolarHBondContact O-N 3.09Å; L426-L471 HydrophobicContact CD1-CD2 3.29Å
427	V	57.7	Low	71.6	Confident	87 Å²	87	75.6 Å²	75.6	53%	0.527	40%	0.398	S	S	.	.	G	3₁₀ helix	trans	-104.9	-12.7	-174.6	-177.2	0	0	0	0	113.1	P423 L425	P423-V427 WeakPolarHBondContact O-CG2 3.26Å; L425-V427 VanDerWaalsContact C-N 3.31Å; L425-V427 PolarHBondContact O-N 3.17Å
428	S	54.1	Low	71.1	Confident	82 Å²	82	82.8 Å²	82.8	57%	0.573	44%	0.436	S	S	*	.			trans	-88.2	-2.8	-165.1	63.2	0	0	0	0	116.7	G430 K431	S428-G430 PolarHBondContact O-N 2.94Å; S428-K431 PolarHBondContact O-N 3.32Å
429	T	55.4	Low	70.8	Confident	42 Å²	42	84.8 Å²	84.8	26%	0.258	44%	0.442	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	109.8	-173.8	-22.2	0	0	0	0	111.9	E455	T429-E455 HydrophobicContact CG2-CG 4.07Å
430	G	62.1	Low	70.5	Confident	34 Å²	34	87.7 Å²	87.7	35%	0.351	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	109.4	2.9	175.4	0	0	0	0	0	116.5	S428 R432 G445	S428-G430 PolarHBondContact O-N 2.94Å; G430-R432 PolarHBondContact O-N 2.96Å; G430-G445 PolarHBondContact O-N 3.04Å
431	K	68.6	Low	70.1	Confident	110 Å²	110	89 Å²	89	48%	0.478	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	112.7	170.4	-173.9	-178.3	-179	-176.9	0	109.9	S428 S442 L444	S428-K431 PolarHBondContact O-N 3.32Å; K431-S442 WeakPolarHBondContact CE-OG 3.48Å; K431-L444 HydrophobicContact CB-CD1 4.29Å
432	R	70.3	Confident	69.8	Low	178 Å²	178	88.2 Å²	88.2	67%	0.672	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.1	120.1	167.7	-67.4	-174	177.8	-166.2	-2.6	109	G430 S442 V443	G430-R432 PolarHBondContact O-N 2.96Å; R432-S442 CarbonylContact O-C 3.35Å; R432-S442 WeakPolarHBondContact O-CA 3.41Å; R432-V443 PolarHBondContact N-O 3.4Å; R432-V443 PolarHBondContact O-N 3.48Å
433	V	75.1	Confident	69.9	Low	74 Å²	74	89.4 Å²	89.4	45%	0.448	47%	0.469	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	121.5	170.6	-180	0	0	0	0	108	L440 T441	V433-L440 HydrophobicContact CG1-CD1 4.19Å; V433-L440 HydrophobicContact CG1-CD2 3.92Å; V433-L440 HydrophobicContact CG1-CG 3.84Å; V433-T441 WeakPolarHBondContact CA-O 3.44Å
434	L	79.7	Confident	70.3	Confident	81 Å²	81	90.5 Å²	90.5	42%	0.424	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	119.4	171.1	-52.4	176.3	0	0	0	107.4	T441 V443	L434-T441 HydrophobicContact CB-CG2 3.77Å; L434-T441 HydrophobicContact CD1-CG2 4.3Å; L434-T441 HydrophobicContact CG-CG2 4.43Å; L434-T441 PolarHBondContact N-O 2.55Å; L434-T441 PolarHBondContact O-N 3.33Å; L434-T441 VanDerWaalsContact O-N 3.12Å; L434-V443 HydrophobicContact CD1-CG2 3.76Å; L434-V443 HydrophobicContact CG-CG2 4.32Å
435	K	81.8	Confident	71.2	Confident	185 Å²	185	85.7 Å²	85.7	80%	0.804	46%	0.458	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.7	170.2	-63.6	-175.2	179.2	-173.6	0	107.4
436	L	82.4	Confident	72.4	Confident	98 Å²	98	87.6 Å²	87.6	51%	0.513	46%	0.458	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	154.9	170.6	-60.3	173.3	0	0	0	108.3	N438 Y439 T441	L436-N438 PolarHBondContact O-N 3.3Å; L436-N438 VanDerWaalsContact O-N 3.11Å; L436-Y439 PolarHBondContact N-O 3.17Å; L436-Y439 PolarHBondContact O-N 3.14Å; L436-Y439 VanDerWaalsContact O-O 3.05Å; L436-T441 HydrophobicContact CD1-CG2 4.18Å
437	P	70.7	Confident	73.4	Confident	115 Å²	115	88.3 Å²	88.3	75%	0.747	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	122.6	170.8	-23.2	34.1	0	0	0	109.5	Y439	P437-Y439 WeakPolarHBondContact O-CD2 3.39Å; P437-Y439 PolarHBondContact O-N 2.89Å
438	N	78.9	Confident	74.7	Confident	162 Å²	162	92.1 Å²	92.1	87%	0.866	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	2.8	-177.7	-49.1	-19.8	0	0	0	117.1	L436	L436-N438 PolarHBondContact O-N 3.3Å; L436-N438 VanDerWaalsContact O-N 3.11Å
439	Y	79.4	Confident	76.2	Confident	132 Å²	132	92.4 Å²	92.4	52%	0.518	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	123.5	177.8	-60.6	-85.7	0	0	0	113.1	L436 P437	L436-Y439 PolarHBondContact N-O 3.17Å; L436-Y439 PolarHBondContact O-N 3.14Å; L436-Y439 VanDerWaalsContact O-O 3.05Å; P437-Y439 WeakPolarHBondContact O-CD2 3.39Å; P437-Y439 PolarHBondContact O-N 2.89Å
440	L	80.4	Confident	77.7	Confident	88 Å²	88	96.3 Å²	96.3	46%	0.461	49%	0.486	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	105.5	165.3	-170.1	144.9	0	0	0	108.8	V433	V433-L440 HydrophobicContact CG1-CD1 4.19Å; V433-L440 HydrophobicContact CG1-CD2 3.92Å; V433-L440 HydrophobicContact CG1-CG 3.84Å
441	T	78.8	Confident	78.9	Confident	30 Å²	30	98.9 Å²	98.9	18%	0.184	49%	0.489	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	149.6	177.8	-174.3	0	0	0	0	110.7	V433 L434 L436	V433-T441 WeakPolarHBondContact CA-O 3.44Å; L434-T441 HydrophobicContact CB-CG2 3.77Å; L434-T441 HydrophobicContact CD1-CG2 4.3Å; L434-T441 HydrophobicContact CG-CG2 4.43Å; L434-T441 PolarHBondContact N-O 2.55Å; L434-T441 PolarHBondContact O-N 3.33Å; L434-T441 VanDerWaalsContact O-N 3.12Å; L436-T441 HydrophobicContact CD1-CG2 4.18Å
442	S	77.6	Confident	79.6	Confident	3 Å²	3	98 Å²	98	2%	0.021	48%	0.483	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.1	120.4	174.7	75	0	0	0	0	111.7	K431 R432	K431-S442 WeakPolarHBondContact CE-OG 3.48Å; R432-S442 CarbonylContact O-C 3.35Å; R432-S442 WeakPolarHBondContact O-CA 3.41Å
443	V	77.9	Confident	80.4	Confident	45 Å²	45	95 Å²	95	27%	0.273	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	113	177	-178.7	0	0	0	0	107.7	R432 L434	R432-V443 PolarHBondContact N-O 3.4Å; R432-V443 PolarHBondContact O-N 3.48Å; L434-V443 HydrophobicContact CD1-CG2 3.76Å; L434-V443 HydrophobicContact CG-CG2 4.32Å
444	L	77.3	Confident	81.1	Confident	77 Å²	77	99 Å²	99	40%	0.403	48%	0.481	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.4	111.6	171	-177	59.8	0	0	0	109.1	K431 Y446	K431-L444 HydrophobicContact CB-CD1 4.29Å; L444-Y446 PolarHBondContact O-N 3.49Å
445	G	75.9	Confident	81.4	Confident	33 Å²	33	97.3 Å²	97.3	34%	0.34	47%	0.471	S	S	.	.			trans	-59.3	126.6	175.4	0	0	0	0	0	111.3	G430 I447	G430-G445 PolarHBondContact O-N 3.04Å; G445-I447 PolarHBondContact O-N 3.5Å
446	Y	80.1	Confident	81.6	Confident	152 Å²	152	89.1 Å²	89.1	60%	0.596	44%	0.436	S	S	*	.			trans	-69.4	106.7	174.7	177.3	-93.5	0	0	0	110.3	L444 R448	L444-Y446 PolarHBondContact O-N 3.49Å; Y446-R448 HydrophobicContact CE1-CG 4.01Å
447	I	77.8	Confident	82.1	Confident	46 Å²	46	85.6 Å²	85.6	24%	0.236	42%	0.418	C	S	.	.			trans	-101	125.5	171.5	-57.1	174	0	0	0	107.9	G445 E451 R452	G445-I447 PolarHBondContact O-N 3.5Å; I447-E451 HydrophobicContact CG2-CB 3.8Å; I447-E451 HydrophobicContact CG2-CG 4.25Å; I447-R452 HydrophobicContact CB-CB 4.48Å; I447-R452 HydrophobicContact CG2-CB 3.97Å
448	R	85.3	Confident	83	Confident	167 Å²	167	85 Å²	85	63%	0.63	40%	0.401	S	S	*	.			trans	-53	140.1	176.6	-68.7	-176.6	178.6	95.9	1.1	110	Y446 N450 E451 R452	Y446-R448 HydrophobicContact CE1-CG 4.01Å; R448-N450 PolarHBondContact O-N 3.31Å; R448-N450 VanDerWaalsContact O-N 3.09Å; R448-E451 HydrophobicContact CB-CB 4.39Å; R448-E451 WeakPolarHBondContact O-CA 3.37Å; R448-E451 PolarHBondContact O-N 2.93Å; R448-R452 PolarHBondContact O-N 3.24Å
449	P	84.1	Confident	83.4	Confident	89 Å²	89	79.9 Å²	79.9	58%	0.578	37%	0.372	S	S	*	.	H	α-helix	trans	-53.5	-37.6	-175.7	-29.6	35.5	0	0	0	114.5	E451 K453	P449-E451 VanDerWaalsContact C-N 3.35Å; P449-E451 PolarHBondContact O-N 2.74Å; P449-K453 VanDerWaalsContact O-CB 3.28Å; P449-K453 WeakPolarHBondContact O-CB 3.5Å; P449-K453 PolarHBondContact O-N 2.97Å
450	N	87	Confident	83.9	Confident	123 Å²	123	74 Å²	74	66%	0.658	35%	0.349	S	S	*	.	H	α-helix	trans	-65.1	-36.2	175.4	-69.5	-13.6	0	0	0	113	R448 R454	R448-N450 PolarHBondContact O-N 3.31Å; R448-N450 VanDerWaalsContact O-N 3.09Å; N450-R454 WeakPolarHBondContact O-CG 3.35Å; N450-R454 PolarHBondContact O-N 3.05Å
451	E	87.3	Confident	84.4	Confident	88 Å²	88	75 Å²	75	41%	0.411	35%	0.351	S	S	.	.	H	α-helix	trans	-77.4	-41.9	179.7	-157.8	56.9	-122.8	0	0	110.9	I447 R448 P449 K453 R454 E455	I447-E451 HydrophobicContact CG2-CB 3.8Å; I447-E451 HydrophobicContact CG2-CG 4.25Å; R448-E451 HydrophobicContact CB-CB 4.39Å; R448-E451 WeakPolarHBondContact O-CA 3.37Å; R448-E451 PolarHBondContact O-N 2.93Å; P449-E451 VanDerWaalsContact C-N 3.35Å; P449-E451 PolarHBondContact O-N 2.74Å; E451-K453 PolarHBondContact O-N 2.82Å; E451-R454 WeakPolarHBondContact O-CB 3.48Å; E451-R454 PolarHBondContact O-N 2.84Å; E451-R454 WeakPolarHBondContact OE1-CD 3.43Å; E451-R454 IonicContact OE1-NH1 2.61Å; E451-R454 WeakPolarHBondContact OE2-CD 3.19Å; E451-R454 IonicContact OE2-CZ 2.95Å; E451-R454 IonicContact OE2-NE 2.69Å; E451-R454 IonicContact OE2-NH1 2.68Å; E451-R454 PolarHBondContact OE2-NH1 3.29Å; E451-E455 WeakPolarHBondContact O-CB 3.46Å; E451-E455 PolarHBondContact O-N 3.34Å
452	R	83.2	Confident	84.9	Confident	93 Å²	93	79 Å²	79	35%	0.351	37%	0.368	S	S	.	.	H	α-helix	trans	-55.7	-41.9	169.7	-175	-170.7	-68.3	-121.3	0.6	110.9	I447 R448 E455 V456	I447-R452 HydrophobicContact CB-CB 4.48Å; I447-R452 HydrophobicContact CG2-CB 3.97Å; R448-R452 PolarHBondContact O-N 3.24Å; R452-E455 PolarHBondContact O-N 3Å; R452-V456 HydrophobicContact CG-CG2 4.5Å; R452-V456 WeakPolarHBondContact O-CB 3.4Å; R452-V456 VanDerWaalsContact O-CG2 3.31Å; R452-V456 WeakPolarHBondContact O-CG2 3.35Å; R452-V456 PolarHBondContact O-N 3.17Å
453	K	88	Confident	85.3	Confident	115 Å²	115	84.3 Å²	84.3	50%	0.5	39%	0.387	S	S	.	.	H	α-helix	trans	-63.6	-41	175.8	-175.8	-176.9	176.1	177.5	0	112.4	P449 E451 N457 T472	P449-K453 VanDerWaalsContact O-CB 3.28Å; P449-K453 WeakPolarHBondContact O-CB 3.5Å; P449-K453 PolarHBondContact O-N 2.97Å; E451-K453 PolarHBondContact O-N 2.82Å; K453-N457 VanDerWaalsContact O-CG 3.28Å; K453-N457 PolarHBondContact O-N 3Å; K453-N457 PolarHBondContact O-ND2 3.15Å; K453-T472 WeakPolarHBondContact CE-OG1 3.41Å; K453-T472 HydrophobicContact CG-CG2 3.84Å
454	R	89.8	Confident	85.8	Confident	158 Å²	158	82.4 Å²	82.4	60%	0.596	38%	0.375	S	S	*	.	H	α-helix	trans	-62.3	-50.9	175	-74.1	164.9	178.3	175.8	-7.6	110.3	N450 E451 V456 N457 R458	N450-R454 WeakPolarHBondContact O-CG 3.35Å; N450-R454 PolarHBondContact O-N 3.05Å; E451-R454 WeakPolarHBondContact O-CB 3.48Å; E451-R454 PolarHBondContact O-N 2.84Å; E451-R454 WeakPolarHBondContact OE1-CD 3.43Å; E451-R454 IonicContact OE1-NH1 2.61Å; E451-R454 WeakPolarHBondContact OE2-CD 3.19Å; E451-R454 IonicContact OE2-CZ 2.95Å; E451-R454 IonicContact OE2-NE 2.69Å; E451-R454 IonicContact OE2-NH1 2.68Å; E451-R454 PolarHBondContact OE2-NH1 3.29Å; R454-V456 PolarHBondContact O-N 2.76Å; R454-N457 CarbonylContact O-C 3.59Å; R454-N457 PolarHBondContact O-N 2.75Å; R454-N457 VanDerWaalsContact O-N 3.13Å; R454-R458 WeakPolarHBondContact O-CB 3.31Å; R454-R458 PolarHBondContact O-N 3.18Å
455	E	86.6	Confident	86.4	Confident	45 Å²	45	82 Å²	82	21%	0.21	38%	0.377	C	S	.	.	H	α-helix	trans	-59.4	-47.3	-178.1	179	55.5	-164.3	0	0	112.9	T429 E451 R452 N457 R458 Q459	T429-E455 HydrophobicContact CG2-CG 4.07Å; E451-E455 WeakPolarHBondContact O-CB 3.46Å; E451-E455 PolarHBondContact O-N 3.34Å; R452-E455 PolarHBondContact O-N 3Å; E455-N457 VanDerWaalsContact C-N 3.32Å; E455-N457 PolarHBondContact O-N 2.94Å; E455-R458 WeakPolarHBondContact O-CB 3.36Å; E455-R458 PolarHBondContact O-N 3.48Å; E455-R458 VanDerWaalsContact O-N 3.12Å; E455-R458 IonicContact OE1-CZ 3.89Å; E455-R458 IonicContact OE1-NE 3.19Å; E455-R458 IonicContact OE1-NH2 2.69Å; E455-R458 PolarHBondContact OE1-NH2 3.13Å; E455-R458 IonicContact OE2-CZ 2.62Å; E455-R458 IonicContact OE2-NE 2.6Å; E455-R458 PolarHBondContact OE2-NE 3.12Å; E455-R458 IonicContact OE2-NH2 2.93Å; E455-R458 PolarHBondContact OE2-NH2 2.97Å; E455-Q459 WeakPolarHBondContact O-CG 3.44Å; E455-Q459 PolarHBondContact O-N 3.29Å; E455-Q459 PolarHBondContact OE1-NE2 3.19Å
456	V	85.7	Confident	87.1	Confident	12 Å²	12	82.1 Å²	82.1	7%	0.073	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-39	174.9	166.7	0	0	0	0	112	R452 R454 F460 L471	R452-V456 HydrophobicContact CG-CG2 4.5Å; R452-V456 WeakPolarHBondContact O-CB 3.4Å; R452-V456 VanDerWaalsContact O-CG2 3.31Å; R452-V456 WeakPolarHBondContact O-CG2 3.35Å; R452-V456 PolarHBondContact O-N 3.17Å; R454-V456 PolarHBondContact O-N 2.76Å; V456-F460 WeakPolarHBondContact O-CB 3.33Å; V456-F460 PolarHBondContact O-N 3.45Å; V456-F460 VanDerWaalsContact O-N 3.12Å; V456-L471 HydrophobicContact CG1-CD2 3.94Å
457	N	92	Very high	87.6	Confident	24 Å²	24	75.5 Å²	75.5	13%	0.128	35%	0.348	C	S	.	.	H	α-helix	trans	-74.5	-28.9	175.8	-67.5	-50.1	0	0	0	112.6	K453 R454 E455 H461 T470 L471 T472	K453-N457 VanDerWaalsContact O-CG 3.28Å; K453-N457 PolarHBondContact O-N 3Å; K453-N457 PolarHBondContact O-ND2 3.15Å; R454-N457 CarbonylContact O-C 3.59Å; R454-N457 PolarHBondContact O-N 2.75Å; R454-N457 VanDerWaalsContact O-N 3.13Å; E455-N457 VanDerWaalsContact C-N 3.32Å; E455-N457 PolarHBondContact O-N 2.94Å; N457-H461 WeakPolarHBondContact O-CB 3.25Å; N457-H461 PolarHBondContact O-N 2.78Å; N457-T470 WeakPolarHBondContact OD1-CB 3.41Å; N457-L471 PolarHBondContact OD1-N 2.99Å; N457-T472 VanDerWaalsContact CG-OG1 3.28Å; N457-T472 PolarHBondContact ND2-OG1 3.04Å; N457-T472 WeakPolarHBondContact OD1-CB 3.38Å; N457-T472 VanDerWaalsContact OD1-CG2 3.29Å; N457-T472 WeakPolarHBondContact OD1-CG2 3.38Å; N457-T472 PolarHBondContact OD1-N 3.15Å; N457-T472 PolarHBondContact OD1-OG1 3.25Å
458	R	90.1	Very high	88.2	Confident	103 Å²	103	77.4 Å²	77.4	39%	0.389	36%	0.356	S	S	.	.	H	α-helix	trans	-65	-54.8	174.6	-177.6	-170.9	69.8	80.8	5.5	109.7	R454 E455 F460 H461 E462	R454-R458 WeakPolarHBondContact O-CB 3.31Å; R454-R458 PolarHBondContact O-N 3.18Å; E455-R458 WeakPolarHBondContact O-CB 3.36Å; E455-R458 PolarHBondContact O-N 3.48Å; E455-R458 VanDerWaalsContact O-N 3.12Å; E455-R458 IonicContact OE1-CZ 3.89Å; E455-R458 IonicContact OE1-NE 3.19Å; E455-R458 IonicContact OE1-NH2 2.69Å; E455-R458 PolarHBondContact OE1-NH2 3.13Å; E455-R458 IonicContact OE2-CZ 2.62Å; E455-R458 IonicContact OE2-NE 2.6Å; E455-R458 PolarHBondContact OE2-NE 3.12Å; E455-R458 IonicContact OE2-NH2 2.93Å; E455-R458 PolarHBondContact OE2-NH2 2.97Å; R458-F460 VanDerWaalsContact C-N 3.27Å; R458-F460 PolarHBondContact O-N 3.48Å; R458-H461 PolarHBondContact O-N 3.36Å; R458-E462 VanDerWaalsContact CG-OE1 3.3Å; R458-E462 WeakPolarHBondContact CG-OE1 3.5Å; R458-E462 IonicContact CZ-OE1 3.47Å; R458-E462 IonicContact CZ-OE2 3.7Å; R458-E462 IonicContact NE-OE1 2.71Å; R458-E462 IonicContact NH1-OE1 3.24Å; R458-E462 PolarHBondContact NH1-OE1 3.1Å; R458-E462 IonicContact NH1-OE2 3.99Å; R458-E462 PolarHBondContact NH1-OE2 2.79Å; R458-E462 WeakPolarHBondContact O-CG 3.36Å; R458-E462 PolarHBondContact O-N 3.46Å
459	Q	87.3	Confident	88.5	Confident	54 Å²	54	69.7 Å²	69.7	25%	0.252	33%	0.327	S	S	.	.	H	α-helix	trans	-56.9	-40.6	175.8	-67.5	175	17	0	0	112	E455 E462 R463	E455-Q459 WeakPolarHBondContact O-CG 3.44Å; E455-Q459 PolarHBondContact O-N 3.29Å; E455-Q459 PolarHBondContact OE1-NE2 3.19Å; Q459-E462 PolarHBondContact O-N 3.4Å; Q459-R463 WeakPolarHBondContact O-CB 3.38Å; Q459-R463 PolarHBondContact O-N 3.26Å
460	F	90.3	Very high	88.9	Confident	9 Å²	9	68.6 Å²	68.6	4%	0.039	32%	0.319	C	S	.	.	H	α-helix	trans	-63.3	-41.5	174.5	178.7	-89.5	0	0	0	112.8	L420 V456 R458 R463 F464 I467 I469 L471	L420-F460 HydrophobicContact CD1-CE2 3.74Å; L420-F460 HydrophobicContact CD1-CZ 3.77Å; L420-F460 HydrophobicContact CG-CE2 4.24Å; L420-F460 HydrophobicContact CG-CZ 4.5Å; L420-F460 WeakPolarHBondContact O-CE2 3.23Å; V456-F460 WeakPolarHBondContact O-CB 3.33Å; V456-F460 PolarHBondContact O-N 3.45Å; V456-F460 VanDerWaalsContact O-N 3.12Å; R458-F460 VanDerWaalsContact C-N 3.27Å; R458-F460 PolarHBondContact O-N 3.48Å; F460-R463 PolarHBondContact O-N 2.88Å; F460-F464 AromaticContact CD2-CD2 3.84Å; F460-F464 HydrophobicContact CD2-CD2 3.84Å; F460-F464 HydrophobicContact CD2-CE2 4.2Å; F460-F464 HydrophobicContact CE1-CB 4.49Å; F460-F464 HydrophobicContact CE1-CD2 4.4Å; F460-F464 AromaticContact CE2-CD2 3.58Å; F460-F464 HydrophobicContact CE2-CD2 3.58Å; F460-F464 AromaticContact CE2-CE2 3.92Å; F460-F464 HydrophobicContact CE2-CE2 3.92Å; F460-F464 HydrophobicContact CG-CD2 4.39Å; F460-F464 AromaticContact CZ-CD2 3.89Å; F460-F464 HydrophobicContact CZ-CD2 3.89Å; F460-F464 PolarHBondContact O-N 3.19Å; F460-I467 HydrophobicContact CE1-CB 4.47Å; F460-I467 HydrophobicContact CE1-CG2 4.11Å; F460-I467 HydrophobicContact CZ-CD1 4.49Å; F460-I467 HydrophobicContact CZ-CG2 4.18Å; F460-I469 WeakPolarHBondContact CE1-O 3.37Å; F460-L471 HydrophobicContact CB-CB 3.95Å; F460-L471 HydrophobicContact CD1-CB 4.2Å; F460-L471 HydrophobicContact CD2-CB 3.61Å; F460-L471 HydrophobicContact CD2-CD1 4.03Å; F460-L471 HydrophobicContact CD2-CD2 4.21Å; F460-L471 HydrophobicContact CD2-CG 4.16Å; F460-L471 HydrophobicContact CE2-CB 4.12Å; F460-L471 HydrophobicContact CE2-CD1 4.02Å; F460-L471 HydrophobicContact CG-CB 3.64Å
461	H	90.4	Very high	89.2	Confident	109 Å²	109	62.8 Å²	62.8	51%	0.505	29%	0.288	S	S	.	.	H	α-helix	trans	-72.6	-32.6	179.1	-173.9	44.1	0	0	0	112.5	N457 R458 F464 P465	N457-H461 WeakPolarHBondContact O-CB 3.25Å; N457-H461 PolarHBondContact O-N 2.78Å; R458-H461 PolarHBondContact O-N 3.36Å; H461-F464 CarbonylContact O-C 3.56Å; H461-F464 PolarHBondContact O-N 3.37Å; H461-P465 PolarHBondContact CE1-O 3.26Å; H461-P465 VanDerWaalsContact CE1-O 3.26Å; H461-P465 VanDerWaalsContact O-CA 3.3Å; H461-P465 WeakPolarHBondContact O-CA 3.39Å; H461-P465 VanDerWaalsContact O-N 3.09Å
462	E	88.6	Confident	89.4	Confident	115 Å²	115	60.3 Å²	60.3	54%	0.537	28%	0.278	S	S	.	.	H	α-helix	trans	-66.5	-39.2	171.3	-74.7	166.5	-174.7	0	0	111.6	R458 Q459	R458-E462 VanDerWaalsContact CG-OE1 3.3Å; R458-E462 WeakPolarHBondContact CG-OE1 3.5Å; R458-E462 IonicContact CZ-OE1 3.47Å; R458-E462 IonicContact CZ-OE2 3.7Å; R458-E462 IonicContact NE-OE1 2.71Å; R458-E462 IonicContact NH1-OE1 3.24Å; R458-E462 PolarHBondContact NH1-OE1 3.1Å; R458-E462 IonicContact NH1-OE2 3.99Å; R458-E462 PolarHBondContact NH1-OE2 2.79Å; R458-E462 WeakPolarHBondContact O-CG 3.36Å; R458-E462 PolarHBondContact O-N 3.46Å; Q459-E462 PolarHBondContact O-N 3.4Å
463	R	86.6	Confident	89.9	Confident	113 Å²	113	59 Å²	59	43%	0.426	28%	0.275	S	S	.	.	H	α-helix	trans	-68.3	-40.3	171.4	-167.6	174.9	-174.4	-171.4	3.9	111.6	Y408 L419 Q459 F460	Y408-R463 PolarHBondContact OH-O 3.12Å; L419-R463 VanDerWaalsContact O-CZ 3.25Å; L419-R463 PolarHBondContact O-NH1 2.66Å; Q459-R463 WeakPolarHBondContact O-CB 3.38Å; Q459-R463 PolarHBondContact O-N 3.26Å; F460-R463 PolarHBondContact O-N 2.88Å
464	F	89.1	Confident	90.2	Very high	5 Å²	5	53.5 Å²	53.5	2%	0.022	25%	0.251	C	S	.	.			trans	-129.6	78.9	-175.5	-56.4	-73.5	0	0	0	112.8	Y408 L419 L420 F460 H461 S466 I467 L507	Y408-F464 HydrophobicContact CD1-CE1 4.43Å; Y408-F464 HydrophobicContact CE1-CD1 4.37Å; Y408-F464 AromaticContact CE1-CE1 3.81Å; Y408-F464 HydrophobicContact CE1-CE1 3.81Å; Y408-F464 AromaticContact CE2-CD1 3.92Å; Y408-F464 HydrophobicContact CE2-CD1 3.92Å; Y408-F464 HydrophobicContact CE2-CE1 4.13Å; Y408-F464 AromaticContact CZ-CD1 3.76Å; Y408-F464 AromaticContact CZ-CE1 3.66Å; L419-F464 HydrophobicContact CD1-CE1 4.21Å; L419-F464 HydrophobicContact CD1-CZ 3.95Å; L419-F464 HydrophobicContact CG-CE1 4.3Å; L419-F464 HydrophobicContact CG-CZ 4.03Å; L419-F464 WeakPolarHBondContact O-CZ 3.48Å; L420-F464 HydrophobicContact CD1-CD2 4.12Å; L420-F464 HydrophobicContact CD1-CE1 4.49Å; L420-F464 HydrophobicContact CD1-CE2 3.9Å; L420-F464 HydrophobicContact CD1-CZ 4.1Å; F460-F464 AromaticContact CD2-CD2 3.84Å; F460-F464 HydrophobicContact CD2-CD2 3.84Å; F460-F464 HydrophobicContact CD2-CE2 4.2Å; F460-F464 HydrophobicContact CE1-CB 4.49Å; F460-F464 HydrophobicContact CE1-CD2 4.4Å; F460-F464 AromaticContact CE2-CD2 3.58Å; F460-F464 HydrophobicContact CE2-CD2 3.58Å; F460-F464 AromaticContact CE2-CE2 3.92Å; F460-F464 HydrophobicContact CE2-CE2 3.92Å; F460-F464 HydrophobicContact CG-CD2 4.39Å; F460-F464 AromaticContact CZ-CD2 3.89Å; F460-F464 HydrophobicContact CZ-CD2 3.89Å; F460-F464 PolarHBondContact O-N 3.19Å; H461-F464 CarbonylContact O-C 3.56Å; H461-F464 PolarHBondContact O-N 3.37Å; F464-S466 VanDerWaalsContact C-N 3.3Å; F464-S466 PolarHBondContact O-N 3.26Å; F464-I467 HydrophobicContact CB-CB 4.07Å; F464-I467 HydrophobicContact CB-CD1 3.52Å; F464-I467 HydrophobicContact CB-CG1 3.84Å; F464-I467 HydrophobicContact CD1-CD1 3.79Å; F464-I467 HydrophobicContact CD2-CD1 4.38Å; F464-I467 HydrophobicContact CG-CD1 3.66Å; F464-I467 PolarHBondContact O-N 2.98Å; F464-L507 HydrophobicContact CE1-CD2 4.39Å
465	P	89.5	Confident	90.4	Very high	69 Å²	69	49.4 Å²	49.4	45%	0.448	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-36.4	-175.6	-26.7	36.3	0	0	0	113.8	H461	H461-P465 PolarHBondContact CE1-O 3.26Å; H461-P465 VanDerWaalsContact CE1-O 3.26Å; H461-P465 VanDerWaalsContact O-CA 3.3Å; H461-P465 WeakPolarHBondContact O-CA 3.39Å; H461-P465 VanDerWaalsContact O-N 3.09Å
466	S	89.2	Confident	90.7	Very high	35 Å²	35	49 Å²	49	25%	0.245	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.6	-17.1	-172.7	-39.1	0	0	0	0	113.8	F406 F464 Q468	F406-S466 WeakPolarHBondContact CD1-OG 3.43Å; F406-S466 VanDerWaalsContact CD2-OG 3.27Å; F406-S466 WeakPolarHBondContact CD2-OG 3.48Å; F406-S466 WeakPolarHBondContact CE1-OG 3.26Å; F406-S466 WeakPolarHBondContact CE2-OG 3.15Å; F406-S466 WeakPolarHBondContact CG-OG 3.25Å; F406-S466 WeakPolarHBondContact CZ-OG 3.38Å; F464-S466 VanDerWaalsContact C-N 3.3Å; F464-S466 PolarHBondContact O-N 3.26Å; S466-Q468 PolarHBondContact O-N 3.01Å
467	I	91.4	Very high	91.3	Very high	14 Å²	14	48.6 Å²	48.6	7%	0.072	24%	0.236	C	C	.	.			trans	-80.3	114.4	-173.9	-64.4	-178	0	0	0	110.2	L420 F460 F464 I469 V506 L507 L509	L420-I467 HydrophobicContact CD1-CD1 3.65Å; F460-I467 HydrophobicContact CE1-CB 4.47Å; F460-I467 HydrophobicContact CE1-CG2 4.11Å; F460-I467 HydrophobicContact CZ-CD1 4.49Å; F460-I467 HydrophobicContact CZ-CG2 4.18Å; F464-I467 HydrophobicContact CB-CB 4.07Å; F464-I467 HydrophobicContact CB-CD1 3.52Å; F464-I467 HydrophobicContact CB-CG1 3.84Å; F464-I467 HydrophobicContact CD1-CD1 3.79Å; F464-I467 HydrophobicContact CD2-CD1 4.38Å; F464-I467 HydrophobicContact CG-CD1 3.66Å; F464-I467 PolarHBondContact O-N 2.98Å; I467-I469 HydrophobicContact CG2-CG2 3.58Å; I467-I469 PolarHBondContact O-N 3.46Å; I467-I469 VanDerWaalsContact O-N 3.12Å; I467-V506 HydrophobicContact CD1-CG1 4.16Å; I467-V506 HydrophobicContact CG2-CG1 3.53Å; I467-L507 HydrophobicContact CD1-CD2 4.39Å; I467-L509 HydrophobicContact CG1-CD2 3.78Å
468	Q	90	Very high	91.4	Very high	86 Å²	86	48 Å²	48	40%	0.402	23%	0.232	S	C	.	.			trans	-76.2	4.5	-174.3	-56.4	-169.7	10.5	0	0	115.3	S466	S466-Q468 PolarHBondContact O-N 3.01Å
469	I	92.7	Very high	91.7	Very high	5 Å²	5	47.8 Å²	47.8	3%	0.026	24%	0.238	C	C	.	.	S	Bend	trans	-118.6	129.8	179.8	-173.7	169.4	0	0	0	110.6	F460 I467 K473 L474 I477 V506	F460-I469 WeakPolarHBondContact CE1-O 3.37Å; I467-I469 HydrophobicContact CG2-CG2 3.58Å; I467-I469 PolarHBondContact O-N 3.46Å; I467-I469 VanDerWaalsContact O-N 3.12Å; I469-K473 HydrophobicContact CD1-CB 4.33Å; I469-K473 HydrophobicContact CD1-CG 4.08Å; I469-K473 HydrophobicContact CG1-CB 3.92Å; I469-K473 HydrophobicContact CG1-CG 4.06Å; I469-L474 HydrophobicContact CD1-CB 4.19Å; I469-L474 HydrophobicContact CG1-CB 4.43Å; I469-I477 HydrophobicContact CD1-CD1 3.91Å; I469-V506 HydrophobicContact CG2-CG1 3.81Å
470	T	92.8	Very high	92.1	Very high	66 Å²	66	46.9 Å²	46.9	41%	0.405	24%	0.236	S	C	.	.			trans	-74	146	174.7	60.4	0	0	0	0	111.1	N457 T472 K473 L474	N457-T470 WeakPolarHBondContact OD1-CB 3.41Å; T470-T472 VanDerWaalsContact C-N 3.27Å; T470-T472 PolarHBondContact O-N 3.35Å; T470-K473 CarbonylContact O-C 3.57Å; T470-K473 WeakPolarHBondContact O-CA 3.4Å; T470-K473 WeakPolarHBondContact O-CB 3.44Å; T470-K473 PolarHBondContact O-N 3.01Å; T470-K473 WeakPolarHBondContact OG1-CB 3.39Å; T470-L474 PolarHBondContact O-N 3.07Å
471	L	91.9	Very high	92.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-51.7	-44.8	179.5	-177	61.3	0	0	0	113.3	D421 L426 V456 N457 F460 K473 L474 R475	D421-L471 HydrophobicContact CB-CD1 4.15Å; L426-L471 HydrophobicContact CD1-CD2 3.29Å; V456-L471 HydrophobicContact CG1-CD2 3.94Å; N457-L471 PolarHBondContact OD1-N 2.99Å; F460-L471 HydrophobicContact CB-CB 3.95Å; F460-L471 HydrophobicContact CD1-CB 4.2Å; F460-L471 HydrophobicContact CD2-CB 3.61Å; F460-L471 HydrophobicContact CD2-CD1 4.03Å; F460-L471 HydrophobicContact CD2-CD2 4.21Å; F460-L471 HydrophobicContact CD2-CG 4.16Å; F460-L471 HydrophobicContact CE2-CB 4.12Å; F460-L471 HydrophobicContact CE2-CD1 4.02Å; F460-L471 HydrophobicContact CG-CB 3.64Å; L471-K473 PolarHBondContact O-N 2.91Å; L471-L474 HydrophobicContact CD1-CD2 4.42Å; L471-L474 WeakPolarHBondContact O-CB 3.24Å; L471-L474 PolarHBondContact O-N 3.14Å; L471-L474 VanDerWaalsContact O-N 3.08Å; L471-R475 HydrophobicContact CD1-CG 4.28Å; L471-R475 HydrophobicContact CG-CG 4.39Å; L471-R475 PolarHBondContact O-N 3.39Å
472	T	91.4	Very high	92.7	Very high	36 Å²	36	41.6 Å²	41.6	22%	0.221	21%	0.212	C	C	.	.	H	α-helix	trans	-65	-23.6	179.5	57	0	0	0	0	112.6	K453 N457 T470 S476	K453-T472 WeakPolarHBondContact CE-OG1 3.41Å; K453-T472 HydrophobicContact CG-CG2 3.84Å; N457-T472 VanDerWaalsContact CG-OG1 3.28Å; N457-T472 PolarHBondContact ND2-OG1 3.04Å; N457-T472 WeakPolarHBondContact OD1-CB 3.38Å; N457-T472 VanDerWaalsContact OD1-CG2 3.29Å; N457-T472 WeakPolarHBondContact OD1-CG2 3.38Å; N457-T472 PolarHBondContact OD1-N 3.15Å; N457-T472 PolarHBondContact OD1-OG1 3.25Å; T470-T472 VanDerWaalsContact C-N 3.27Å; T470-T472 PolarHBondContact O-N 3.35Å; T472-S476 WeakPolarHBondContact O-CB 3.48Å; T472-S476 PolarHBondContact O-N 3.06Å
473	K	94.3	Very high	93	Very high	65 Å²	65	40.5 Å²	40.5	28%	0.283	21%	0.207	S	C	.	.	H	α-helix	trans	-80.4	-40.4	170.1	-172.2	69.6	-152.8	141	0	111.8	I469 T470 L471 S476 I477	I469-K473 HydrophobicContact CD1-CB 4.33Å; I469-K473 HydrophobicContact CD1-CG 4.08Å; I469-K473 HydrophobicContact CG1-CB 3.92Å; I469-K473 HydrophobicContact CG1-CG 4.06Å; T470-K473 CarbonylContact O-C 3.57Å; T470-K473 WeakPolarHBondContact O-CA 3.4Å; T470-K473 WeakPolarHBondContact O-CB 3.44Å; T470-K473 PolarHBondContact O-N 3.01Å; T470-K473 WeakPolarHBondContact OG1-CB 3.39Å; L471-K473 PolarHBondContact O-N 2.91Å; K473-S476 WeakPolarHBondContact CA-OG 3.32Å; K473-S476 WeakPolarHBondContact CD-OG 3.47Å; K473-S476 WeakPolarHBondContact CE-OG 3.16Å; K473-S476 PolarHBondContact NZ-OG 3.35Å; K473-S476 PolarHBondContact O-N 2.79Å; K473-S476 PolarHBondContact O-OG 3.06Å; K473-I477 HydrophobicContact CG-CD1 4.38Å; K473-I477 WeakPolarHBondContact O-CG1 3.44Å; K473-I477 PolarHBondContact O-N 3.2Å
474	L	94.5	Very high	93.5	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-55.9	-55	173.2	-178	153.1	0	0	0	110.7	L420 D421 I469 T470 L471 S476 I477 K478 F502 V506	L420-L474 HydrophobicContact CD2-CD1 3.52Å; L420-L474 HydrophobicContact CG-CD1 4Å; D421-L474 HydrophobicContact CB-CD2 4.37Å; I469-L474 HydrophobicContact CD1-CB 4.19Å; I469-L474 HydrophobicContact CG1-CB 4.43Å; T470-L474 PolarHBondContact O-N 3.07Å; L471-L474 HydrophobicContact CD1-CD2 4.42Å; L471-L474 WeakPolarHBondContact O-CB 3.24Å; L471-L474 PolarHBondContact O-N 3.14Å; L471-L474 VanDerWaalsContact O-N 3.08Å; L474-S476 VanDerWaalsContact C-N 3.27Å; L474-S476 PolarHBondContact O-N 3.21Å; L474-I477 PolarHBondContact O-N 3.49Å; L474-K478 HydrophobicContact CD2-CD 3.87Å; L474-K478 HydrophobicContact CD2-CG 4.33Å; L474-K478 PolarHBondContact O-N 2.91Å; L474-F502 HydrophobicContact CG-CE1 4.39Å; L474-V506 HydrophobicContact CD1-CG1 4.37Å; L474-V506 HydrophobicContact CD1-CG2 4.23Å
475	R	93.2	Very high	93.7	Very high	72 Å²	72	34.9 Å²	34.9	27%	0.272	19%	0.186	S	C	.	.	H	α-helix	trans	-52.9	-42.7	173.5	-72.7	179.4	176.6	177.6	-0.3	112.1	D421 D422 L471 I477 K478 L479	D421-R475 IonicContact OD1-CZ 3.56Å; D421-R475 IonicContact OD1-NE 2.78Å; D421-R475 PolarHBondContact OD1-NE 3.4Å; D421-R475 IonicContact OD1-NH2 2.73Å; D421-R475 PolarHBondContact OD1-NH2 3.23Å; D421-R475 VanDerWaalsContact OD2-CG 3.32Å; D421-R475 WeakPolarHBondContact OD2-CG 3.35Å; D421-R475 IonicContact OD2-NE 3.63Å; D422-R475 PolarHBondContact O-NH2 2.98Å; L471-R475 HydrophobicContact CD1-CG 4.28Å; L471-R475 HydrophobicContact CG-CG 4.39Å; L471-R475 PolarHBondContact O-N 3.39Å; R475-I477 VanDerWaalsContact C-N 3.33Å; R475-I477 PolarHBondContact O-N 2.99Å; R475-K478 PolarHBondContact O-N 3.3Å; R475-L479 WeakPolarHBondContact O-CB 3.46Å; R475-L479 VanDerWaalsContact O-CG 3.31Å; R475-L479 WeakPolarHBondContact O-CG 3.3Å; R475-L479 PolarHBondContact O-N 3.41Å
476	S	94.4	Very high	93.9	Very high	38 Å²	38	36.2 Å²	36.2	27%	0.266	19%	0.186	S	C	.	.	H	α-helix	trans	-65.5	-30.6	177.6	78.9	0	0	0	0	114.2	T472 K473 L474 V480	T472-S476 WeakPolarHBondContact O-CB 3.48Å; T472-S476 PolarHBondContact O-N 3.06Å; K473-S476 WeakPolarHBondContact CA-OG 3.32Å; K473-S476 WeakPolarHBondContact CD-OG 3.47Å; K473-S476 WeakPolarHBondContact CE-OG 3.16Å; K473-S476 PolarHBondContact NZ-OG 3.35Å; K473-S476 PolarHBondContact O-N 2.79Å; K473-S476 PolarHBondContact O-OG 3.06Å; L474-S476 VanDerWaalsContact C-N 3.27Å; L474-S476 PolarHBondContact O-N 3.21Å; S476-V480 VanDerWaalsContact O-CG2 3.31Å; S476-V480 WeakPolarHBondContact O-CG2 3.25Å; S476-V480 PolarHBondContact O-N 3.25Å
477	I	96.5	Very high	94.1	Very high	2 Å²	2	40.9 Å²	40.9	1%	0.01	20%	0.198	C	C	.	.	H	α-helix	trans	-78.1	-45.9	177.7	-69.2	174.9	0	0	0	109.4	I469 K473 L474 R475 L479 V480 L481 F502 R516 A520 F549	I469-I477 HydrophobicContact CD1-CD1 3.91Å; K473-I477 HydrophobicContact CG-CD1 4.38Å; K473-I477 WeakPolarHBondContact O-CG1 3.44Å; K473-I477 PolarHBondContact O-N 3.2Å; L474-I477 PolarHBondContact O-N 3.49Å; R475-I477 VanDerWaalsContact C-N 3.33Å; R475-I477 PolarHBondContact O-N 2.99Å; I477-L479 VanDerWaalsContact C-N 3.32Å; I477-L479 PolarHBondContact O-N 3.27Å; I477-V480 WeakPolarHBondContact O-CB 3.45Å; I477-V480 PolarHBondContact O-N 3.38Å; I477-L481 PolarHBondContact O-N 3.15Å; I477-F502 HydrophobicContact CD1-CZ 4.43Å; I477-F502 HydrophobicContact CG2-CE1 4.17Å; I477-F502 HydrophobicContact CG2-CZ 3.95Å; I477-R516 HydrophobicContact CD1-CB 4.34Å; I477-R516 HydrophobicContact CD1-CG 4.19Å; I477-A520 HydrophobicContact CG2-CB 3.41Å; I477-A520 VanDerWaalsContact CG2-CB 3.41Å; I477-F549 HydrophobicContact CG2-CE1 4.33Å; I477-F549 HydrophobicContact CG2-CZ 4.37Å
478	K	95.9	Very high	94.1	Very high	11 Å²	11	42.5 Å²	42.5	5%	0.048	21%	0.207	C	C	.	.	H	α-helix	trans	-51.8	-47.8	173.3	-81.8	-169.9	163.8	-158.8	0	112.5	L474 R475 V480 L481 V482 H499 E503 H581	L474-K478 HydrophobicContact CD2-CD 3.87Å; L474-K478 HydrophobicContact CD2-CG 4.33Å; L474-K478 PolarHBondContact O-N 2.91Å; R475-K478 PolarHBondContact O-N 3.3Å; K478-V480 VanDerWaalsContact C-N 3.29Å; K478-V480 PolarHBondContact O-N 3.34Å; K478-L481 WeakPolarHBondContact O-CB 3.37Å; K478-L481 PolarHBondContact O-N 3.15Å; K478-V482 WeakPolarHBondContact O-CG2 3.23Å; K478-V482 PolarHBondContact O-N 3.37Å; K478-V482 VanDerWaalsContact O-N 3.14Å; K478-H499 WeakPolarHBondContact CD-ND1 3.2Å; K478-H499 WeakPolarHBondContact CE-ND1 3.44Å; K478-H499 PolarHBondContact O-NE2 3.12Å; K478-E503 VanDerWaalsContact CE-OE1 3.28Å; K478-E503 WeakPolarHBondContact CE-OE1 3.42Å; K478-E503 IonicContact NZ-OE1 3.82Å; K478-E503 PolarHBondContact NZ-OE1 3.07Å; K478-H581 PolarHBondContact NZ-CE1 3Å; K478-H581 PolarHBondContact NZ-ND1 3.37Å
479	L	94.6	Very high	94.3	Very high	100 Å²	100	43.7 Å²	43.7	52%	0.524	22%	0.224	S	C	.	.	H	α-helix	trans	-61.7	-33.9	176.7	-73	170.1	0	0	0	113.2	R475 I477 V482 Q483	R475-L479 WeakPolarHBondContact O-CB 3.46Å; R475-L479 VanDerWaalsContact O-CG 3.31Å; R475-L479 WeakPolarHBondContact O-CG 3.3Å; R475-L479 PolarHBondContact O-N 3.41Å; I477-L479 VanDerWaalsContact C-N 3.32Å; I477-L479 PolarHBondContact O-N 3.27Å; L479-V482 PolarHBondContact O-N 3.13Å; L479-Q483 WeakPolarHBondContact O-CG 3.45Å; L479-Q483 PolarHBondContact O-N 2.91Å
480	V	96.8	Very high	94.2	Very high	35 Å²	35	44.4 Å²	44.4	21%	0.212	23%	0.228	C	C	.	.	H	α-helix	trans	-69	-38.1	175.1	168.9	0	0	0	0	111.3	S476 I477 K478 V482 Q483 I484 T548 F549	S476-V480 VanDerWaalsContact O-CG2 3.31Å; S476-V480 WeakPolarHBondContact O-CG2 3.25Å; S476-V480 PolarHBondContact O-N 3.25Å; I477-V480 WeakPolarHBondContact O-CB 3.45Å; I477-V480 PolarHBondContact O-N 3.38Å; K478-V480 VanDerWaalsContact C-N 3.29Å; K478-V480 PolarHBondContact O-N 3.34Å; V480-V482 VanDerWaalsContact C-N 3.33Å; V480-V482 PolarHBondContact O-N 3.01Å; V480-Q483 PolarHBondContact O-N 3.07Å; V480-I484 HydrophobicContact CG1-CD1 4.1Å; V480-I484 WeakPolarHBondContact O-CG1 3.37Å; V480-I484 PolarHBondContact O-N 3.37Å; V480-T548 HydrophobicContact CG1-CG2 3.44Å; V480-T548 VanDerWaalsContact CG1-CG2 3.44Å; V480-F549 HydrophobicContact CB-CE1 4.48Å; V480-F549 HydrophobicContact CB-CZ 4.18Å; V480-F549 HydrophobicContact CG1-CE1 3.9Å; V480-F549 HydrophobicContact CG1-CE2 3.99Å; V480-F549 HydrophobicContact CG1-CZ 3.52Å
481	L	97.1	Very high	94.1	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.219	C	C	.	.	H	α-helix	trans	-61.7	-41.1	173.7	-59.1	-179.1	0	0	0	111.7	I477 K478 I484 A485 A520 L524 F549	I477-L481 PolarHBondContact O-N 3.15Å; K478-L481 WeakPolarHBondContact O-CB 3.37Å; K478-L481 PolarHBondContact O-N 3.15Å; L481-I484 PolarHBondContact O-N 3.43Å; L481-A485 PolarHBondContact O-N 3.18Å; L481-A485 VanDerWaalsContact O-N 3.09Å; L481-A520 HydrophobicContact CD1-CB 4.42Å; L481-A520 HydrophobicContact CD2-CB 4.39Å; L481-L524 HydrophobicContact CB-CD2 4.35Å; L481-L524 HydrophobicContact CD2-CB 4.13Å; L481-L524 HydrophobicContact CD2-CD2 3.97Å; L481-F549 HydrophobicContact CD2-CE2 3.78Å; L481-F549 HydrophobicContact CD2-CZ 3.8Å
482	V	95.9	Very high	94.2	Very high	6 Å²	6	44.2 Å²	44.2	4%	0.036	22%	0.224	C	C	.	.	H	α-helix	trans	-59.6	-46.5	173.7	-179.4	0	0	0	0	110.9	K478 L479 V480 I484 A485 Q486 V495 L585 L589	K478-V482 WeakPolarHBondContact O-CG2 3.23Å; K478-V482 PolarHBondContact O-N 3.37Å; K478-V482 VanDerWaalsContact O-N 3.14Å; L479-V482 PolarHBondContact O-N 3.13Å; V480-V482 VanDerWaalsContact C-N 3.33Å; V480-V482 PolarHBondContact O-N 3.01Å; V482-I484 VanDerWaalsContact C-N 3.34Å; V482-I484 PolarHBondContact O-N 2.89Å; V482-A485 PolarHBondContact O-N 3.15Å; V482-Q486 HydrophobicContact CG1-CG 4.36Å; V482-Q486 WeakPolarHBondContact O-CG 3.43Å; V482-Q486 PolarHBondContact O-N 3.34Å; V482-V495 HydrophobicContact CG2-CG1 3.77Å; V482-L585 HydrophobicContact CG2-CD2 3.39Å; V482-L589 HydrophobicContact CG1-CD1 4.12Å; V482-L589 HydrophobicContact CG1-CD2 4.18Å
483	Q	95.4	Very high	94.4	Very high	93 Å²	93	43 Å²	43	44%	0.435	22%	0.216	S	C	.	.	H	α-helix	trans	-62.1	-38.2	179.3	-72.7	173.1	6.6	0	0	113	L479 V480 R487	L479-Q483 WeakPolarHBondContact O-CG 3.45Å; L479-Q483 PolarHBondContact O-N 2.91Å; V480-Q483 PolarHBondContact O-N 3.07Å; Q483-R487 WeakPolarHBondContact O-CG 3.43Å; Q483-R487 PolarHBondContact O-N 3.1Å; Q483-R487 VanDerWaalsContact O-N 3.13Å
484	I	96.1	Very high	94.5	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-65.1	-48.4	176.8	-69.5	171	0	0	0	110.3	V480 L481 V482 Q486 R487 L488 L524 L541 E544 L545 T548 F549	V480-I484 HydrophobicContact CG1-CD1 4.1Å; V480-I484 WeakPolarHBondContact O-CG1 3.37Å; V480-I484 PolarHBondContact O-N 3.37Å; L481-I484 PolarHBondContact O-N 3.43Å; V482-I484 VanDerWaalsContact C-N 3.34Å; V482-I484 PolarHBondContact O-N 2.89Å; I484-Q486 VanDerWaalsContact C-N 3.32Å; I484-Q486 PolarHBondContact O-N 3.22Å; I484-R487 PolarHBondContact O-N 3.18Å; I484-L488 HydrophobicContact CG2-CD1 3.9Å; I484-L488 WeakPolarHBondContact O-CG 3.42Å; I484-L488 PolarHBondContact O-N 3.37Å; I484-L524 HydrophobicContact CG2-CD2 4.21Å; I484-L541 HydrophobicContact CG2-CD1 3.89Å; I484-E544 HydrophobicContact CG2-CB 3.93Å; I484-L545 HydrophobicContact CD1-CD2 3.91Å; I484-T548 HydrophobicContact CD1-CG2 3.86Å; I484-T548 HydrophobicContact CG1-CG2 4.14Å; I484-F549 HydrophobicContact CD1-CD2 4.21Å; I484-F549 HydrophobicContact CD1-CE2 3.76Å
485	A	94	Very high	94.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-61	-39.1	177.2	0	0	0	0	0	112.8	L481 V482 L488 S489 M490 V495	L481-A485 PolarHBondContact O-N 3.18Å; L481-A485 VanDerWaalsContact O-N 3.09Å; V482-A485 PolarHBondContact O-N 3.15Å; A485-L488 CarbonylContact O-C 3.6Å; A485-L488 PolarHBondContact O-N 3.28Å; A485-S489 PolarHBondContact O-N 3.22Å; A485-M490 HydrophobicContact CB-CB 4.17Å; A485-M490 HydrophobicContact CB-CE 3.84Å; A485-M490 PolarHBondContact O-N 3.41Å; A485-V495 HydrophobicContact CB-CG2 3.23Å
486	Q	92.8	Very high	94.7	Very high	97 Å²	97	36.5 Å²	36.5	45%	0.453	19%	0.19	S	C	.	.	H	α-helix	trans	-63.8	-39.8	175.7	-74.9	-178.9	-50.9	0	0	113.1	V482 I484 L488 S489 L589	V482-Q486 HydrophobicContact CG1-CG 4.36Å; V482-Q486 WeakPolarHBondContact O-CG 3.43Å; V482-Q486 PolarHBondContact O-N 3.34Å; I484-Q486 VanDerWaalsContact C-N 3.32Å; I484-Q486 PolarHBondContact O-N 3.22Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 2.93Å; Q486-S489 PolarHBondContact O-N 3.23Å; Q486-L589 VanDerWaalsContact NE2-CD2 3.3Å
487	R	93.7	Very high	94.8	Very high	133 Å²	133	34.8 Å²	34.8	50%	0.502	18%	0.177	S	C	.	.	H	α-helix	trans	-64.3	-37.5	175.7	-69.8	170.9	-160	157	8.7	112.2	Q483 I484 S489 E544 T548	Q483-R487 WeakPolarHBondContact O-CG 3.43Å; Q483-R487 PolarHBondContact O-N 3.1Å; Q483-R487 VanDerWaalsContact O-N 3.13Å; I484-R487 PolarHBondContact O-N 3.18Å; R487-S489 VanDerWaalsContact C-N 3.33Å; R487-E544 WeakPolarHBondContact CD-OE2 3.45Å; R487-E544 IonicContact CZ-OE2 3.09Å; R487-E544 IonicContact NE-OE2 3.57Å; R487-E544 IonicContact NH1-OE2 3.98Å; R487-E544 PolarHBondContact NH1-OE2 2.97Å; R487-T548 PolarHBondContact NH1-OG1 2.86Å
488	L	93.1	Very high	94.8	Very high	48 Å²	48	34.7 Å²	34.7	25%	0.251	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.6	-1.4	-178.8	-64.1	168.1	0	0	0	113.2	I484 A485 Q486 M490 L541 E544	I484-L488 HydrophobicContact CG2-CD1 3.9Å; I484-L488 WeakPolarHBondContact O-CG 3.42Å; I484-L488 PolarHBondContact O-N 3.37Å; A485-L488 CarbonylContact O-C 3.6Å; A485-L488 PolarHBondContact O-N 3.28Å; Q486-L488 VanDerWaalsContact C-N 3.31Å; Q486-L488 PolarHBondContact O-N 2.93Å; L488-M490 HydrophobicContact CB-CG 3.85Å; L488-M490 HydrophobicContact CD1-SD 4.47Å; L488-M490 PolarHBondContact O-N 3.08Å; L488-L541 HydrophobicContact CD1-CB 3.98Å; L488-L541 HydrophobicContact CD1-CD1 3.73Å; L488-L541 HydrophobicContact CD1-CG 4.48Å; L488-E544 HydrophobicContact CD1-CB 4.14Å; L488-E544 HydrophobicContact CD1-CG 4.16Å; L488-E544 HydrophobicContact CD2-CG 3.97Å; L488-E544 HydrophobicContact CG-CG 4.11Å
489	S	92.2	Very high	94.8	Very high	110 Å²	110	34.6 Å²	34.6	77%	0.769	18%	0.177	S	C	*	.	T	Hydrogen-bonded Turn	trans	54.5	34.1	-175.3	-53.7	0	0	0	0	114	A485 Q486 R487	A485-S489 PolarHBondContact O-N 3.22Å; Q486-S489 PolarHBondContact O-N 3.23Å; R487-S489 VanDerWaalsContact C-N 3.33Å
490	M	91.1	Very high	94.9	Very high	20 Å²	20	29.9 Å²	29.9	10%	0.099	15%	0.152	C	C	.	.			trans	-79.3	155.7	175.1	-59.5	-164.4	-46.1	0	0	111.6	A485 L488 I494 L524 L541	A485-M490 HydrophobicContact CB-CB 4.17Å; A485-M490 HydrophobicContact CB-CE 3.84Å; A485-M490 PolarHBondContact O-N 3.41Å; L488-M490 HydrophobicContact CB-CG 3.85Å; L488-M490 HydrophobicContact CD1-SD 4.47Å; L488-M490 PolarHBondContact O-N 3.08Å; M490-I494 HydrophobicContact CB-CD1 4.45Å; M490-I494 HydrophobicContact CE-CG2 4.47Å; M490-L524 HydrophobicContact CE-CD1 4.13Å; M490-L524 HydrophobicContact CE-CD2 4.4Å; M490-L524 HydrophobicContact CE-CG 4.43Å; M490-L541 HydrophobicContact CE-CD1 3.85Å; M490-L541 HydrophobicContact CE-CD2 4.36Å; M490-L541 HydrophobicContact SD-CD1 4.23Å; M490-L541 HydrophobicContact SD-CD2 4.18Å
491	D	92.1	Very high	94.8	Very high	41 Å²	41	28.2 Å²	28.2	22%	0.219	14%	0.142	C	C	.	.			trans	-63.8	141.1	178.4	-61.8	-54.9	0	0	0	113.3	S87 W493 I494	S87-D491 VanDerWaalsContact CB-OD1 3.25Å; S87-D491 WeakPolarHBondContact CB-OD1 3.31Å; S87-D491 VanDerWaalsContact CB-OD2 3.23Å; S87-D491 WeakPolarHBondContact CB-OD2 3.49Å; S87-D491 VanDerWaalsContact OG-CG 3.31Å; S87-D491 PolarHBondContact OG-OD1 2.62Å; S87-D491 PolarHBondContact OG-OD2 3.21Å; D491-W493 PolarHBondContact O-N 3.34Å; D491-I494 HydrophobicContact CB-CD1 4.35Å; D491-I494 HydrophobicContact CB-CG1 4.24Å; D491-I494 WeakPolarHBondContact O-CB 3.44Å; D491-I494 PolarHBondContact O-N 3.23Å; D491-I494 VanDerWaalsContact O-N 3.15Å
492	L	93.8	Very high	94.8	Very high	21 Å²	21	28.2 Å²	28.2	11%	0.11	14%	0.142	C	C	.	.	H	α-helix	trans	-65.1	-18.1	174.1	-66.6	173.9	0	0	0	112.7	V495 A496 Y582 L585 Y586 L589 L591	L492-V495 PolarHBondContact O-N 3.46Å; L492-A496 WeakPolarHBondContact O-CB 3.45Å; L492-A496 PolarHBondContact O-N 3.37Å; L492-Y582 HydrophobicContact CB-CD2 4.36Å; L492-Y582 HydrophobicContact CB-CE2 4.11Å; L492-L585 HydrophobicContact CB-CD1 4.43Å; L492-L585 WeakPolarHBondContact O-CD1 3.48Å; L492-Y586 HydrophobicContact CB-CE2 3.93Å; L492-Y586 HydrophobicContact CD1-CD2 3.89Å; L492-Y586 HydrophobicContact CD1-CE1 4.43Å; L492-Y586 HydrophobicContact CD1-CE2 3.46Å; L492-Y586 VanDerWaalsContact CD1-CE2 3.46Å; L492-Y586 HydrophobicContact CG-CE2 4.32Å; L492-L589 HydrophobicContact CD1-CD1 3.87Å; L492-L589 HydrophobicContact CD2-CD1 3.74Å; L492-L589 HydrophobicContact CG-CD1 4.49Å; L492-L591 HydrophobicContact CD1-CD1 3.73Å
493	W	94.6	Very high	94.8	Very high	10 Å²	10	27.9 Å²	27.9	4%	0.038	14%	0.14	C	C	.	.	H	α-helix	trans	-65.7	-42.7	172.5	-171.4	-85.5	0	0	0	112	Y95 D491 V495 A496 H497 E575 I578 Y582	Y95-W493 AromaticContact CD2-NE1 3.74Å; Y95-W493 AromaticContact CE2-CD1 3.73Å; Y95-W493 AromaticContact CE2-NE1 3.04Å; Y95-W493 AromaticContact CZ-NE1 3.39Å; Y95-W493 PolarHBondContact OH-NE1 2.92Å; D491-W493 PolarHBondContact O-N 3.34Å; W493-V495 PolarHBondContact O-N 2.97Å; W493-A496 PolarHBondContact O-N 3.07Å; W493-A496 VanDerWaalsContact O-N 3.13Å; W493-H497 WeakPolarHBondContact O-CB 3.39Å; W493-H497 PolarHBondContact O-N 3.11Å; W493-E575 HydrophobicContact CH2-CB 4.43Å; W493-E575 HydrophobicContact CH2-CG 4.33Å; W493-E575 HydrophobicContact CZ2-CG 4.42Å; W493-I578 HydrophobicContact CD2-CG2 4.03Å; W493-I578 HydrophobicContact CE3-CG2 4.23Å; W493-I578 HydrophobicContact CH2-CB 4.29Å; W493-I578 HydrophobicContact CH2-CG2 4.04Å; W493-I578 HydrophobicContact CZ2-CB 4.13Å; W493-I578 HydrophobicContact CZ2-CD1 3.92Å; W493-I578 HydrophobicContact CZ2-CG2 3.81Å; W493-I578 HydrophobicContact CZ3-CG2 4.23Å; W493-Y582 HydrophobicContact CB-CD2 4.22Å; W493-Y582 HydrophobicContact CB-CE2 4.01Å; W493-Y582 AromaticContact CE3-CD2 3.87Å; W493-Y582 HydrophobicContact CE3-CD2 3.87Å; W493-Y582 HydrophobicContact CE3-CE2 4.08Å; W493-Y582 HydrophobicContact CE3-CG 4.11Å
494	I	95.9	Very high	94.7	Very high	2 Å²	2	23.6 Å²	23.6	1%	0.01	12%	0.12	C	C	.	.	H	α-helix	trans	-57.8	-38.5	175.5	-57.9	177.4	0	0	0	110	M490 D491 A498 L524 S527 A528 N531 V533	M490-I494 HydrophobicContact CB-CD1 4.45Å; M490-I494 HydrophobicContact CE-CG2 4.47Å; D491-I494 HydrophobicContact CB-CD1 4.35Å; D491-I494 HydrophobicContact CB-CG1 4.24Å; D491-I494 WeakPolarHBondContact O-CB 3.44Å; D491-I494 PolarHBondContact O-N 3.23Å; D491-I494 VanDerWaalsContact O-N 3.15Å; I494-A498 VanDerWaalsContact O-CB 3.3Å; I494-A498 WeakPolarHBondContact O-CB 3.5Å; I494-A498 PolarHBondContact O-N 3.04Å; I494-L524 HydrophobicContact CG2-CD1 4.15Å; I494-S527 WeakPolarHBondContact O-CB 3.45Å; I494-A528 HydrophobicContact CG2-CB 4.15Å; I494-N531 HydrophobicContact CD1-CB 3.87Å; I494-N531 HydrophobicContact CG1-CB 3.67Å; I494-V533 HydrophobicContact CD1-CG2 3.68Å
495	V	96.6	Very high	94.6	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-73	-40.7	177.6	-171.1	0	0	0	0	112.2	V482 A485 L492 W493 A498 H499 L585	V482-V495 HydrophobicContact CG2-CG1 3.77Å; A485-V495 HydrophobicContact CB-CG2 3.23Å; L492-V495 PolarHBondContact O-N 3.46Å; W493-V495 PolarHBondContact O-N 2.97Å; V495-A498 PolarHBondContact O-N 2.9Å; V495-H499 PolarHBondContact O-CD2 3.09Å; V495-H499 PolarHBondContact O-N 3.26Å; V495-L585 HydrophobicContact CB-CD1 3.88Å; V495-L585 HydrophobicContact CG1-CD1 3.93Å
496	A	96.2	Very high	94.6	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	12%	0.12	C	C	.	.	H	α-helix	trans	-62.8	-44.6	176	0	0	0	0	0	111.3	L492 W493 H499 V500 I578 H581 Y582 L585	L492-A496 WeakPolarHBondContact O-CB 3.45Å; L492-A496 PolarHBondContact O-N 3.37Å; W493-A496 PolarHBondContact O-N 3.07Å; W493-A496 VanDerWaalsContact O-N 3.13Å; A496-H499 WeakPolarHBondContact O-CB 3.15Å; A496-H499 PolarHBondContact O-N 3.06Å; A496-V500 PolarHBondContact O-N 3.3Å; A496-V500 VanDerWaalsContact O-N 3.12Å; A496-I578 HydrophobicContact CB-CG2 3.69Å; A496-H581 HydrophobicContact CB-CB 4.16Å; A496-Y582 HydrophobicContact CB-CD2 4.32Å; A496-L585 HydrophobicContact CB-CD1 4.08Å
497	H	96.2	Very high	94.6	Very high	1 Å²	1	20.3 Å²	20.3	1%	0.005	11%	0.105	C	C	.	.	H	α-helix	trans	-58.5	-49.1	172.3	176.8	-136.3	0	0	0	111.6	Y95 W493 H499 V500 L501 S527 L571 P573 I578	Y95-H497 WeakPolarHBondContact OH-CB 3.23Å; Y95-H497 PolarHBondContact OH-CD2 3.45Å; Y95-H497 PolarHBondContact OH-CE1 2.95Å; Y95-H497 PolarHBondContact OH-ND1 3.14Å; Y95-H497 PolarHBondContact OH-NE2 2.87Å; W493-H497 WeakPolarHBondContact O-CB 3.39Å; W493-H497 PolarHBondContact O-N 3.11Å; H497-H499 PolarHBondContact O-N 3.07Å; H497-V500 PolarHBondContact O-N 3.14Å; H497-L501 PolarHBondContact O-N 2.94Å; H497-S527 PolarHBondContact CE1-OG 2.88Å; H497-S527 WeakPolarHBondContact ND1-CA 3.47Å; H497-S527 WeakPolarHBondContact ND1-CB 3.24Å; H497-S527 PolarHBondContact ND1-OG 2.93Å; H497-L571 PolarHBondContact CE1-O 2.92Å; H497-L571 PolarHBondContact NE2-O 2.98Å; H497-P573 VanDerWaalsContact NE2-CD 3.35Å; H497-P573 WeakPolarHBondContact NE2-CD 3.5Å; H497-I578 HydrophobicContact CB-CD1 4.37Å
498	A	97.3	Very high	94.5	Very high	0 Å²	0	16.7 Å²	16.7	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-60.4	-32.6	176.6	0	0	0	0	0	112.8	I494 V495 F502 L524 S527	I494-A498 VanDerWaalsContact O-CB 3.3Å; I494-A498 WeakPolarHBondContact O-CB 3.5Å; I494-A498 PolarHBondContact O-N 3.04Å; V495-A498 PolarHBondContact O-N 2.9Å; A498-F502 WeakPolarHBondContact O-CB 3.23Å; A498-F502 PolarHBondContact O-N 3.12Å; A498-L524 HydrophobicContact CB-CB 4.19Å; A498-L524 HydrophobicContact CB-CD1 3.86Å; A498-S527 VanDerWaalsContact CA-OG 3.25Å; A498-S527 WeakPolarHBondContact CA-OG 3.33Å; A498-S527 PolarHBondContact N-OG 3.33Å; A498-S527 VanDerWaalsContact N-OG 3.14Å
499	H	96	Very high	94.4	Very high	10 Å²	10	18 Å²	18	5%	0.046	10%	0.1	C	C	.	.	H	α-helix	trans	-66.5	-42.1	173.9	-79	-156.1	0	0	0	111.7	K478 V495 A496 H497 F502 E503 H581	K478-H499 WeakPolarHBondContact CD-ND1 3.2Å; K478-H499 WeakPolarHBondContact CE-ND1 3.44Å; K478-H499 PolarHBondContact O-NE2 3.12Å; V495-H499 PolarHBondContact O-CD2 3.09Å; V495-H499 PolarHBondContact O-N 3.26Å; A496-H499 WeakPolarHBondContact O-CB 3.15Å; A496-H499 PolarHBondContact O-N 3.06Å; H497-H499 PolarHBondContact O-N 3.07Å; H499-F502 PolarHBondContact O-N 3.41Å; H499-E503 WeakPolarHBondContact O-CG 3.46Å; H499-E503 PolarHBondContact O-N 2.91Å; H499-H581 HydrophobicContact CB-CB 4.49Å
500	V	95.6	Very high	94.3	Very high	0 Å²	0	15.9 Å²	15.9	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.9	-51.6	175.6	177.8	0	0	0	0	110.7	Y415 A496 H497 F502 E503 K504 P573 E577 I578	Y415-V500 HydrophobicContact CD1-CG1 3.99Å; Y415-V500 HydrophobicContact CE1-CB 4.42Å; Y415-V500 HydrophobicContact CE1-CG1 3.77Å; Y415-V500 HydrophobicContact CE1-CG2 4.16Å; A496-V500 PolarHBondContact O-N 3.3Å; A496-V500 VanDerWaalsContact O-N 3.12Å; H497-V500 PolarHBondContact O-N 3.14Å; V500-F502 VanDerWaalsContact C-N 3.27Å; V500-F502 PolarHBondContact O-N 3.5Å; V500-E503 PolarHBondContact O-N 2.99Å; V500-E503 VanDerWaalsContact O-N 3.12Å; V500-K504 HydrophobicContact CG1-CD 4.34Å; V500-K504 HydrophobicContact CG1-CG 4.36Å; V500-K504 WeakPolarHBondContact O-CG 3.27Å; V500-K504 PolarHBondContact O-N 2.98Å; V500-P573 HydrophobicContact CB-CB 4.47Å; V500-P573 HydrophobicContact CB-CG 4.11Å; V500-P573 HydrophobicContact CG1-CB 3.78Å; V500-P573 HydrophobicContact CG1-CG 3.55Å; V500-E577 HydrophobicContact CG1-CB 4.22Å; V500-E577 HydrophobicContact CG2-CB 4.44Å; V500-E577 WeakPolarHBondContact CG2-O 3.4Å; V500-I578 HydrophobicContact CG2-CG1 4.18Å
501	L	96	Very high	94.3	Very high	0 Å²	0	15.2 Å²	15.2	0%	0	7%	0.074	C	C	.	.	H	α-helix	trans	-56.6	-43	178.2	-60.7	-171.1	0	0	0	111.5	H497 K504 L505 I526 L567 P573	H497-L501 PolarHBondContact O-N 2.94Å; L501-K504 PolarHBondContact O-N 3.39Å; L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.04Å; L501-L505 VanDerWaalsContact O-N 3.12Å; L501-I526 HydrophobicContact CD1-CG2 4.11Å; L501-L567 HydrophobicContact CB-CD1 4.04Å; L501-L567 HydrophobicContact CD2-CD1 4.1Å; L501-L567 HydrophobicContact CG-CD1 4.47Å; L501-P573 HydrophobicContact CD2-CG 3.74Å
502	F	96.3	Very high	94.2	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.078	C	C	.	.	H	α-helix	trans	-66.1	-39.7	177.9	-174.8	-113.5	0	0	0	112.7	L474 I477 A498 H499 V500 L505 V506 L511 A520	L474-F502 HydrophobicContact CG-CE1 4.39Å; I477-F502 HydrophobicContact CD1-CZ 4.43Å; I477-F502 HydrophobicContact CG2-CE1 4.17Å; I477-F502 HydrophobicContact CG2-CZ 3.95Å; A498-F502 WeakPolarHBondContact O-CB 3.23Å; A498-F502 PolarHBondContact O-N 3.12Å; H499-F502 PolarHBondContact O-N 3.41Å; V500-F502 VanDerWaalsContact C-N 3.27Å; V500-F502 PolarHBondContact O-N 3.5Å; F502-L505 PolarHBondContact O-N 3.38Å; F502-V506 HydrophobicContact CD1-CG2 4.42Å; F502-V506 HydrophobicContact CE1-CG2 4.3Å; F502-V506 HydrophobicContact CZ-CG2 4.48Å; F502-V506 WeakPolarHBondContact O-CG2 3.42Å; F502-V506 PolarHBondContact O-N 3.49Å; F502-V506 VanDerWaalsContact O-N 3.12Å; F502-L511 HydrophobicContact CD2-CD2 4.45Å; F502-L511 HydrophobicContact CE2-CD2 3.56Å; F502-L511 HydrophobicContact CE2-CG 4.47Å; F502-L511 HydrophobicContact CZ-CD2 3.61Å; F502-A520 HydrophobicContact CD2-CB 3.83Å; F502-A520 HydrophobicContact CE2-CB 3.49Å; F502-A520 VanDerWaalsContact CE2-CB 3.49Å; F502-A520 HydrophobicContact CZ-CB 4.01Å
503	E	94.9	Very high	94.1	Very high	0 Å²	0	21 Å²	21	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-68.1	-40.9	175.2	-72.7	-158.8	-171.2	0	0	112.9	Y415 L420 K478 H499 V500 L505 V506 L507 H581	Y415-E503 HydrophobicContact CE2-CB 3.83Å; Y415-E503 VanDerWaalsContact OH-CD 3.22Å; Y415-E503 PolarHBondContact OH-OE2 3.11Å; L420-E503 HydrophobicContact CD2-CB 4.03Å; L420-E503 HydrophobicContact CD2-CG 3.82Å; K478-E503 VanDerWaalsContact CE-OE1 3.28Å; K478-E503 WeakPolarHBondContact CE-OE1 3.42Å; K478-E503 IonicContact NZ-OE1 3.82Å; K478-E503 PolarHBondContact NZ-OE1 3.07Å; H499-E503 WeakPolarHBondContact O-CG 3.46Å; H499-E503 PolarHBondContact O-N 2.91Å; V500-E503 PolarHBondContact O-N 2.99Å; V500-E503 VanDerWaalsContact O-N 3.12Å; E503-L505 VanDerWaalsContact C-N 3.31Å; E503-L505 PolarHBondContact O-N 2.71Å; E503-V506 WeakPolarHBondContact O-CB 3.37Å; E503-V506 PolarHBondContact O-N 2.95Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.2Å; E503-H581 IonicContact OE1-CE1 3.76Å; E503-H581 PolarHBondContact OE1-CE1 2.85Å
504	K	94.4	Very high	93.9	Very high	3 Å²	3	28.1 Å²	28.1	1%	0.013	14%	0.138	C	C	.	.	H	α-helix	trans	-58	-44	174.5	-68.4	-167.1	179.9	-156.1	0	110.9	P411 L412 Y415 V500 L501 V506 L507 K508 L567 E577	P411-K504 HydrophobicContact CB-CB 4.41Å; P411-K504 HydrophobicContact CB-CG 4.26Å; P411-K504 VanDerWaalsContact O-CD 3.27Å; P411-K504 WeakPolarHBondContact O-CD 3.48Å; P411-K504 WeakPolarHBondContact O-CE 3.43Å; P411-K504 PolarHBondContact O-NZ 3.15Å; P411-K504 VanDerWaalsContact O-NZ 3.16Å; L412-K504 HydrophobicContact CD2-CB 4.49Å; L412-K504 HydrophobicContact CD2-CD 4.13Å; Y415-K504 HydrophobicContact CD2-CG 4.16Å; Y415-K504 HydrophobicContact CG-CG 4.26Å; V500-K504 HydrophobicContact CG1-CD 4.34Å; V500-K504 HydrophobicContact CG1-CG 4.36Å; V500-K504 WeakPolarHBondContact O-CG 3.27Å; V500-K504 PolarHBondContact O-N 2.98Å; L501-K504 PolarHBondContact O-N 3.39Å; K504-V506 VanDerWaalsContact C-N 3.33Å; K504-V506 PolarHBondContact O-N 2.85Å; K504-L507 PolarHBondContact O-N 3.12Å; K504-K508 WeakPolarHBondContact O-CG 3.37Å; K504-K508 PolarHBondContact O-N 2.92Å; K504-L567 HydrophobicContact CB-CD2 3.65Å; K504-E577 WeakPolarHBondContact CE-OE2 3.47Å; K504-E577 IonicContact NZ-OE1 2.66Å; K504-E577 PolarHBondContact NZ-OE1 3.27Å; K504-E577 IonicContact NZ-OE2 3.65Å; K504-E577 PolarHBondContact NZ-OE2 3.07Å
505	L	94.3	Very high	93.9	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-60.2	-37.7	172.4	-70.3	171.2	0	0	0	113.7	L501 F502 E503 L509 F510 L511 C519 V563 L567	L501-L505 WeakPolarHBondContact O-CG 3.3Å; L501-L505 PolarHBondContact O-N 3.04Å; L501-L505 VanDerWaalsContact O-N 3.12Å; F502-L505 PolarHBondContact O-N 3.38Å; E503-L505 VanDerWaalsContact C-N 3.31Å; E503-L505 PolarHBondContact O-N 2.71Å; L505-L509 PolarHBondContact O-N 3.02Å; L505-F510 HydrophobicContact CD2-CB 4.22Å; L505-F510 HydrophobicContact CD2-CD1 3.95Å; L505-F510 HydrophobicContact CD2-CG 4.18Å; L505-F510 WeakPolarHBondContact O-CB 3.18Å; L505-F510 PolarHBondContact O-N 3.44Å; L505-F510 VanDerWaalsContact O-N 3.11Å; L505-L511 HydrophobicContact CB-CD1 3.53Å; L505-C519 HydrophobicContact CD1-CB 4.3Å; L505-V563 HydrophobicContact CD1-CB 4.39Å; L505-V563 HydrophobicContact CD1-CG1 3.79Å; L505-V563 HydrophobicContact CD1-CG2 3.84Å; L505-V563 HydrophobicContact CD2-CG1 4.35Å; L505-L567 HydrophobicContact CD2-CD1 4.36Å; L505-L567 HydrophobicContact CD2-CD2 4.04Å; L505-L567 HydrophobicContact CD2-CG 3.77Å; L505-L567 HydrophobicContact CG-CD1 4.28Å; L505-L567 HydrophobicContact CG-CD2 4.02Å; L505-L567 HydrophobicContact CG-CG 4.05Å
506	V	94	Very high	93.8	Very high	2 Å²	2	31.3 Å²	31.3	1%	0.012	15%	0.151	C	C	.	.	H	α-helix	trans	-67.1	-42.8	178.7	-175.2	0	0	0	0	110.1	L420 I467 I469 L474 F502 E503 K504 L509 L511	L420-V506 HydrophobicContact CD2-CB 3.91Å; L420-V506 HydrophobicContact CD2-CG1 3.94Å; L420-V506 HydrophobicContact CD2-CG2 4.4Å; I467-V506 HydrophobicContact CD1-CG1 4.16Å; I467-V506 HydrophobicContact CG2-CG1 3.53Å; I469-V506 HydrophobicContact CG2-CG1 3.81Å; L474-V506 HydrophobicContact CD1-CG1 4.37Å; L474-V506 HydrophobicContact CD1-CG2 4.23Å; F502-V506 HydrophobicContact CD1-CG2 4.42Å; F502-V506 HydrophobicContact CE1-CG2 4.3Å; F502-V506 HydrophobicContact CZ-CG2 4.48Å; F502-V506 WeakPolarHBondContact O-CG2 3.42Å; F502-V506 PolarHBondContact O-N 3.49Å; F502-V506 VanDerWaalsContact O-N 3.12Å; E503-V506 WeakPolarHBondContact O-CB 3.37Å; E503-V506 PolarHBondContact O-N 2.95Å; K504-V506 VanDerWaalsContact C-N 3.33Å; K504-V506 PolarHBondContact O-N 2.85Å; V506-L509 PolarHBondContact O-N 3.45Å; V506-L509 VanDerWaalsContact O-N 3.14Å; V506-L511 HydrophobicContact CG2-CD1 4.21Å; V506-L511 HydrophobicContact CG2-CD2 3.53Å; V506-L511 HydrophobicContact CG2-CG 4.43Å
507	L	92.3	Very high	93.8	Very high	26 Å²	26	36.5 Å²	36.5	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-68.2	-36.5	178.6	-69.7	168.7	0	0	0	112.1	P411 Y415 L419 L420 F464 I467 E503 K504 L509	P411-L507 HydrophobicContact CB-CB 3.86Å; P411-L507 HydrophobicContact CB-CD1 3.87Å; P411-L507 HydrophobicContact CG-CB 3.7Å; Y415-L507 HydrophobicContact CD2-CD1 3.85Å; Y415-L507 HydrophobicContact CE2-CD1 4Å; L419-L507 HydrophobicContact CD2-CD1 4.13Å; L419-L507 HydrophobicContact CD2-CD2 4.04Å; L420-L507 HydrophobicContact CD1-CD2 4.07Å; F464-L507 HydrophobicContact CE1-CD2 4.39Å; I467-L507 HydrophobicContact CD1-CD2 4.39Å; E503-L507 WeakPolarHBondContact O-CG 3.47Å; E503-L507 PolarHBondContact O-N 3.2Å; K504-L507 PolarHBondContact O-N 3.12Å; L507-L509 PolarHBondContact O-N 2.91Å; L507-L509 VanDerWaalsContact O-N 3.14Å
508	K	90.5	Very high	93.7	Very high	56 Å²	56	37.9 Å²	37.9	24%	0.243	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.9	7.8	170.2	-63.5	-167.5	79.2	168.9	0	114.5	P411 L412 K504 F510 G566 E568	P411-K508 HydrophobicContact CG-CD 4.39Å; P411-K508 HydrophobicContact CG-CG 3.56Å; L412-K508 HydrophobicContact CD1-CD 4.23Å; L412-K508 HydrophobicContact CD2-CD 4.04Å; L412-K508 HydrophobicContact CG-CD 3.94Å; K504-K508 WeakPolarHBondContact O-CG 3.37Å; K504-K508 PolarHBondContact O-N 2.92Å; K508-F510 PolarHBondContact O-N 3.29Å; K508-F510 VanDerWaalsContact O-N 3.07Å; K508-G566 WeakPolarHBondContact CD-O 3.2Å; K508-G566 PolarHBondContact NZ-O 3.37Å; K508-E568 VanDerWaalsContact NZ-CD 3.25Å; K508-E568 IonicContact NZ-OE1 3.47Å; K508-E568 PolarHBondContact NZ-OE1 2.73Å; K508-E568 IonicContact NZ-OE2 3.62Å
509	L	91.2	Very high	93.7	Very high	77 Å²	77	37.9 Å²	37.9	40%	0.403	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.5	21.1	179.1	-50.9	-179.3	0	0	0	114.8	I467 L505 V506 L507 L511	I467-L509 HydrophobicContact CG1-CD2 3.78Å; L505-L509 PolarHBondContact O-N 3.02Å; V506-L509 PolarHBondContact O-N 3.45Å; V506-L509 VanDerWaalsContact O-N 3.14Å; L507-L509 PolarHBondContact O-N 2.91Å; L507-L509 VanDerWaalsContact O-N 3.14Å; L509-L511 PolarHBondContact O-N 3.19Å
510	F	90.3	Very high	93.8	Very high	64 Å²	64	37.4 Å²	37.4	28%	0.281	18%	0.175	S	C	.	.			trans	-71.2	-17.1	-179.6	-163	-100.2	0	0	0	112.8	L505 K508 N515 D562	L505-F510 HydrophobicContact CD2-CB 4.22Å; L505-F510 HydrophobicContact CD2-CD1 3.95Å; L505-F510 HydrophobicContact CD2-CG 4.18Å; L505-F510 WeakPolarHBondContact O-CB 3.18Å; L505-F510 PolarHBondContact O-N 3.44Å; L505-F510 VanDerWaalsContact O-N 3.11Å; K508-F510 PolarHBondContact O-N 3.29Å; K508-F510 VanDerWaalsContact O-N 3.07Å; F510-N515 PolarHBondContact O-ND2 2.85Å; F510-D562 HydrophobicContact CZ-CB 4.24Å; F510-D562 WeakPolarHBondContact CZ-O 3.03Å
511	L	91.9	Very high	93.9	Very high	6 Å²	6	37.4 Å²	37.4	3%	0.031	18%	0.175	C	C	.	.			trans	-89	125.2	-177.1	-86.1	70.6	0	0	0	113.4	F502 L505 V506 L509 N515 R516 C519	F502-L511 HydrophobicContact CD2-CD2 4.45Å; F502-L511 HydrophobicContact CE2-CD2 3.56Å; F502-L511 HydrophobicContact CE2-CG 4.47Å; F502-L511 HydrophobicContact CZ-CD2 3.61Å; L505-L511 HydrophobicContact CB-CD1 3.53Å; V506-L511 HydrophobicContact CG2-CD1 4.21Å; V506-L511 HydrophobicContact CG2-CD2 3.53Å; V506-L511 HydrophobicContact CG2-CG 4.43Å; L509-L511 PolarHBondContact O-N 3.19Å; L511-N515 WeakPolarHBondContact CA-OD1 3.39Å; L511-R516 HydrophobicContact CD2-CB 4Å; L511-R516 HydrophobicContact CG-CB 4.34Å; L511-C519 HydrophobicContact CD1-CB 4.35Å
512	T	90.8	Very high	93.9	Very high	49 Å²	49	37.4 Å²	37.4	30%	0.301	18%	0.175	S	C	.	.			trans	-104.5	168.2	165.6	67.5	0	0	0	0	111	L514 N515 R516	T512-L514 PolarHBondContact O-N 2.84Å; T512-L514 VanDerWaalsContact O-N 3.12Å; T512-L514 PolarHBondContact OG1-N 2.89Å; T512-N515 PolarHBondContact N-OD1 2.8Å; T512-N515 PolarHBondContact O-OD1 3.03Å; T512-N515 VanDerWaalsContact OG1-CG 3.24Å; T512-N515 PolarHBondContact OG1-N 3.04Å; T512-N515 VanDerWaalsContact OG1-N 3.16Å; T512-N515 PolarHBondContact OG1-OD1 2.78Å; T512-R516 WeakPolarHBondContact O-CB 3.45Å; T512-R516 PolarHBondContact O-N 3.09Å
513	K	90.4	Very high	93.9	Very high	136 Å²	136	37.4 Å²	37.4	59%	0.591	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-21.5	175.5	-66.7	175.3	-175.1	169.4	0	113.6	R516	K513-R516 VanDerWaalsContact O-CZ 3.28Å; K513-R516 PolarHBondContact O-NE 3.08Å; K513-R516 PolarHBondContact O-NH2 3.2Å
514	L	91.6	Very high	94	Very high	159 Å²	159	37.4 Å²	37.4	83%	0.832	18%	0.175	S	C	*	.	T	Hydrogen-bonded Turn	trans	-91	-55.6	-179.4	-59.2	177.3	0	0	0	111.6	T512 R516	T512-L514 PolarHBondContact O-N 2.84Å; T512-L514 VanDerWaalsContact O-N 3.12Å; T512-L514 PolarHBondContact OG1-N 2.89Å; L514-R516 PolarHBondContact O-N 2.6Å
515	N	94.1	Very high	94.1	Very high	11 Å²	11	37.2 Å²	37.2	6%	0.059	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-74.2	-20.3	-172.5	73.8	1.7	0	0	0	114.4	F510 L511 T512 R517 L518 C519	F510-N515 PolarHBondContact O-ND2 2.85Å; L511-N515 WeakPolarHBondContact CA-OD1 3.39Å; T512-N515 PolarHBondContact N-OD1 2.8Å; T512-N515 PolarHBondContact O-OD1 3.03Å; T512-N515 VanDerWaalsContact OG1-CG 3.24Å; T512-N515 PolarHBondContact OG1-N 3.04Å; T512-N515 VanDerWaalsContact OG1-N 3.16Å; T512-N515 PolarHBondContact OG1-OD1 2.78Å; N515-R517 CarbonylContact O-C 3.53Å; N515-R517 PolarHBondContact O-N 3.44Å; N515-L518 WeakPolarHBondContact O-CA 3.43Å; N515-L518 WeakPolarHBondContact O-CB 3.47Å; N515-L518 PolarHBondContact O-N 3.35Å; N515-C519 PolarHBondContact O-N 3.12Å
516	R	95	Very high	94.1	Very high	57 Å²	57	37.4 Å²	37.4	22%	0.215	18%	0.176	C	C	.	.	H	α-helix	trans	-49.7	-23.6	-174.6	62.4	-176.6	169.6	-174.8	-3.1	116.7	I477 L511 T512 K513 L514 A520	I477-R516 HydrophobicContact CD1-CB 4.34Å; I477-R516 HydrophobicContact CD1-CG 4.19Å; L511-R516 HydrophobicContact CD2-CB 4Å; L511-R516 HydrophobicContact CG-CB 4.34Å; T512-R516 WeakPolarHBondContact O-CB 3.45Å; T512-R516 PolarHBondContact O-N 3.09Å; K513-R516 VanDerWaalsContact O-CZ 3.28Å; K513-R516 PolarHBondContact O-NE 3.08Å; K513-R516 PolarHBondContact O-NH2 3.2Å; L514-R516 PolarHBondContact O-N 2.6Å; R516-A520 WeakPolarHBondContact O-CB 3.37Å; R516-A520 PolarHBondContact O-N 3.2Å
517	R	95.8	Very high	94.2	Very high	110 Å²	110	37.3 Å²	37.3	42%	0.415	18%	0.175	S	C	.	.	H	α-helix	trans	-80.3	-47.5	172.7	-67.5	-173.8	-176.3	-175.8	5.9	111.8	N515 A520 S521 F549 I551	N515-R517 CarbonylContact O-C 3.53Å; N515-R517 PolarHBondContact O-N 3.44Å; R517-A520 PolarHBondContact O-N 3.27Å; R517-S521 WeakPolarHBondContact O-CB 3.29Å; R517-S521 PolarHBondContact O-N 3.32Å; R517-S521 PolarHBondContact O-OG 3.12Å; R517-F549 HydrophobicContact CB-CB 4.3Å; R517-F549 HydrophobicContact CB-CD1 3.85Å; R517-F549 HydrophobicContact CB-CG 4.32Å; R517-F549 WeakPolarHBondContact CD-O 3.19Å; R517-F549 HydrophobicContact CG-CD1 3.81Å; R517-F549 HydrophobicContact CG-CE1 4.45Å; R517-F549 PolarHBondContact NH1-O 3.02Å; R517-I551 HydrophobicContact CB-CG2 4.47Å
518	L	95.9	Very high	94.3	Very high	29 Å²	29	36 Å²	36	15%	0.152	17%	0.169	C	C	.	.	H	α-helix	trans	-59.7	-47.8	175.4	-69.5	166.1	0	0	0	110.3	N515 A520 S521 A522 I551 D555 T559	N515-L518 WeakPolarHBondContact O-CA 3.43Å; N515-L518 WeakPolarHBondContact O-CB 3.47Å; N515-L518 PolarHBondContact O-N 3.35Å; L518-A520 PolarHBondContact O-N 2.76Å; L518-S521 PolarHBondContact O-N 3.13Å; L518-A522 VanDerWaalsContact O-CB 3.28Å; L518-A522 WeakPolarHBondContact O-CB 3.32Å; L518-A522 PolarHBondContact O-N 3.17Å; L518-I551 HydrophobicContact CD2-CB 3.69Å; L518-I551 HydrophobicContact CD2-CD1 4Å; L518-I551 HydrophobicContact CD2-CG1 4.41Å; L518-I551 HydrophobicContact CD2-CG2 3.66Å; L518-I551 HydrophobicContact CG-CG2 4.03Å; L518-D555 HydrophobicContact CD1-CB 4.42Å; L518-D555 HydrophobicContact CD2-CB 3.83Å; L518-T559 HydrophobicContact CB-CG2 3.9Å
519	C	96.7	Very high	94.4	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.3	-44.3	177.3	-59.5	0	0	0	0	112.3	L505 L511 N515 S521 A522 S523 V563	L505-C519 HydrophobicContact CD1-CB 4.3Å; L511-C519 HydrophobicContact CD1-CB 4.35Å; N515-C519 PolarHBondContact O-N 3.12Å; C519-S521 VanDerWaalsContact C-N 3.34Å; C519-S521 PolarHBondContact O-N 3.49Å; C519-A522 PolarHBondContact O-N 3.46Å; C519-S523 PolarHBondContact O-N 2.88Å; C519-S523 PolarHBondContact O-OG 3.2Å; C519-S523 VanDerWaalsContact O-OG 3.05Å; C519-V563 HydrophobicContact CB-CG2 4.15Å
520	A	97.2	Very high	94.5	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-63.1	-39.6	176.4	0	0	0	0	0	113	I477 L481 F502 R516 R517 L518 L524	I477-A520 HydrophobicContact CG2-CB 3.41Å; I477-A520 VanDerWaalsContact CG2-CB 3.41Å; L481-A520 HydrophobicContact CD1-CB 4.42Å; L481-A520 HydrophobicContact CD2-CB 4.39Å; F502-A520 HydrophobicContact CD2-CB 3.83Å; F502-A520 HydrophobicContact CE2-CB 3.49Å; F502-A520 VanDerWaalsContact CE2-CB 3.49Å; F502-A520 HydrophobicContact CZ-CB 4.01Å; R516-A520 WeakPolarHBondContact O-CB 3.37Å; R516-A520 PolarHBondContact O-N 3.2Å; R517-A520 PolarHBondContact O-N 3.27Å; L518-A520 PolarHBondContact O-N 2.76Å; A520-L524 PolarHBondContact O-N 2.84Å; A520-L524 VanDerWaalsContact O-N 3.14Å
521	S	97.2	Very high	94.5	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-67.9	-42.6	177.6	-56.1	0	0	0	0	111.2	R517 L518 C519 L524 L525 F549 I551	R517-S521 WeakPolarHBondContact O-CB 3.29Å; R517-S521 PolarHBondContact O-N 3.32Å; R517-S521 PolarHBondContact O-OG 3.12Å; L518-S521 PolarHBondContact O-N 3.13Å; C519-S521 VanDerWaalsContact C-N 3.34Å; C519-S521 PolarHBondContact O-N 3.49Å; S521-L524 PolarHBondContact O-N 3.48Å; S521-L525 WeakPolarHBondContact O-CB 3.36Å; S521-L525 PolarHBondContact O-N 3.33Å; S521-F549 WeakPolarHBondContact OG-CD2 3.44Å; S521-I551 VanDerWaalsContact OG-CD1 3.3Å; S521-I551 WeakPolarHBondContact OG-CD1 3.48Å
522	A	96.7	Very high	94.3	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-64.8	-41.3	175.1	0	0	0	0	0	111.9	L518 C519 L524 L525 I526 L556 T559 V563	L518-A522 VanDerWaalsContact O-CB 3.28Å; L518-A522 WeakPolarHBondContact O-CB 3.32Å; L518-A522 PolarHBondContact O-N 3.17Å; C519-A522 PolarHBondContact O-N 3.46Å; A522-L524 PolarHBondContact O-N 3.42Å; A522-L525 PolarHBondContact O-N 3.27Å; A522-I526 WeakPolarHBondContact O-CB 3.48Å; A522-I526 VanDerWaalsContact O-CG1 3.26Å; A522-I526 WeakPolarHBondContact O-CG1 3.36Å; A522-I526 PolarHBondContact O-N 3.48Å; A522-L556 HydrophobicContact CB-CD1 4.25Å; A522-T559 HydrophobicContact CB-CG2 4.21Å; A522-V563 HydrophobicContact CB-CB 4.23Å; A522-V563 HydrophobicContact CB-CG2 3.85Å
523	S	97.1	Very high	94.2	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-58.1	-47.1	172.6	-62.2	0	0	0	0	111.7	C519 L525 I526 S527	C519-S523 PolarHBondContact O-N 2.88Å; C519-S523 PolarHBondContact O-OG 3.2Å; C519-S523 VanDerWaalsContact O-OG 3.05Å; S523-L525 PolarHBondContact O-N 3.11Å; S523-I526 PolarHBondContact O-N 3.45Å; S523-S527 WeakPolarHBondContact O-CB 3.36Å; S523-S527 PolarHBondContact O-N 2.98Å; S523-S527 PolarHBondContact O-OG 3.13Å; S523-S527 VanDerWaalsContact O-OG 3.1Å
524	L	97	Very high	94.1	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-65.9	-37	176.9	-176.2	62.7	0	0	0	112.5	L481 I484 M490 I494 A498 A520 S521 A522 A528 L541 L545	L481-L524 HydrophobicContact CB-CD2 4.35Å; L481-L524 HydrophobicContact CD2-CB 4.13Å; L481-L524 HydrophobicContact CD2-CD2 3.97Å; I484-L524 HydrophobicContact CG2-CD2 4.21Å; M490-L524 HydrophobicContact CE-CD1 4.13Å; M490-L524 HydrophobicContact CE-CD2 4.4Å; M490-L524 HydrophobicContact CE-CG 4.43Å; I494-L524 HydrophobicContact CG2-CD1 4.15Å; A498-L524 HydrophobicContact CB-CB 4.19Å; A498-L524 HydrophobicContact CB-CD1 3.86Å; A520-L524 PolarHBondContact O-N 2.84Å; A520-L524 VanDerWaalsContact O-N 3.14Å; S521-L524 PolarHBondContact O-N 3.48Å; A522-L524 PolarHBondContact O-N 3.42Å; L524-A528 WeakPolarHBondContact O-CB 3.28Å; L524-A528 PolarHBondContact O-N 3.23Å; L524-L541 HydrophobicContact CD2-CD1 3.97Å; L524-L541 HydrophobicContact CG-CD1 4.31Å; L524-L545 HydrophobicContact CD2-CD2 4.22Å
525	L	95.7	Very high	94	Very high	0 Å²	0	23 Å²	23	0%	0	12%	0.116	C	C	.	.	H	α-helix	trans	-65.1	-45.7	177	-178.8	62.7	0	0	0	111.9	S521 A522 S523 A528 K529 L538 L541 L542 L545 L556 I557 E560	S521-L525 WeakPolarHBondContact O-CB 3.36Å; S521-L525 PolarHBondContact O-N 3.33Å; A522-L525 PolarHBondContact O-N 3.27Å; S523-L525 PolarHBondContact O-N 3.11Å; L525-A528 PolarHBondContact O-N 3.41Å; L525-K529 HydrophobicContact CG-CD 4.37Å; L525-K529 VanDerWaalsContact O-CG 3.28Å; L525-K529 WeakPolarHBondContact O-CG 3.49Å; L525-K529 PolarHBondContact O-N 3.17Å; L525-L538 HydrophobicContact CD1-CD1 3.65Å; L525-L541 HydrophobicContact CD1-CD2 4.34Å; L525-L542 HydrophobicContact CD1-CD2 3.81Å; L525-L542 HydrophobicContact CD1-CG 4.31Å; L525-L542 HydrophobicContact CD2-CD2 3.87Å; L525-L545 HydrophobicContact CB-CD1 4.38Å; L525-L556 HydrophobicContact CD2-CD1 4.29Å; L525-L556 HydrophobicContact CD2-CD2 4.35Å; L525-L556 HydrophobicContact CD2-CG 4.02Å; L525-I557 HydrophobicContact CD2-CD1 4.11Å; L525-E560 HydrophobicContact CD2-CG 4.46Å
526	I	95.2	Very high	93.7	Very high	3 Å²	3	27.5 Å²	27.5	2%	0.015	15%	0.148	C	C	.	.	H	α-helix	trans	-62.4	-46.8	175.7	-70.1	164.2	0	0	0	110.1	L501 A522 S523 A528 K529 L530 E560 V563 L571	L501-I526 HydrophobicContact CD1-CG2 4.11Å; A522-I526 WeakPolarHBondContact O-CB 3.48Å; A522-I526 VanDerWaalsContact O-CG1 3.26Å; A522-I526 WeakPolarHBondContact O-CG1 3.36Å; A522-I526 PolarHBondContact O-N 3.48Å; S523-I526 PolarHBondContact O-N 3.45Å; I526-A528 PolarHBondContact O-N 3.49Å; I526-K529 PolarHBondContact O-N 3.01Å; I526-L530 HydrophobicContact CG2-CD1 3.67Å; I526-L530 HydrophobicContact CG2-CG 4.41Å; I526-L530 WeakPolarHBondContact O-CB 3.41Å; I526-L530 WeakPolarHBondContact O-CG 3.28Å; I526-L530 PolarHBondContact O-N 2.98Å; I526-E560 HydrophobicContact CD1-CG 3.99Å; I526-E560 HydrophobicContact CG1-CG 3.63Å; I526-V563 HydrophobicContact CD1-CB 4.12Å; I526-V563 HydrophobicContact CD1-CG1 3.57Å; I526-L571 HydrophobicContact CG2-CD1 3.98Å; I526-L571 HydrophobicContact CG2-CD2 4.15Å; I526-L571 HydrophobicContact CG2-CG 4.46Å
527	S	95.7	Very high	93.5	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.165	C	C	.	.	H	α-helix	trans	-57.6	-46.3	174.7	-68.5	0	0	0	0	112	I494 H497 A498 S523 K529 L530 N531	I494-S527 WeakPolarHBondContact O-CB 3.45Å; H497-S527 PolarHBondContact CE1-OG 2.88Å; H497-S527 WeakPolarHBondContact ND1-CA 3.47Å; H497-S527 WeakPolarHBondContact ND1-CB 3.24Å; H497-S527 PolarHBondContact ND1-OG 2.93Å; A498-S527 VanDerWaalsContact CA-OG 3.25Å; A498-S527 WeakPolarHBondContact CA-OG 3.33Å; A498-S527 PolarHBondContact N-OG 3.33Å; A498-S527 VanDerWaalsContact N-OG 3.14Å; S523-S527 WeakPolarHBondContact O-CB 3.36Å; S523-S527 PolarHBondContact O-N 2.98Å; S523-S527 PolarHBondContact O-OG 3.13Å; S523-S527 VanDerWaalsContact O-OG 3.1Å; S527-K529 PolarHBondContact O-N 3.18Å; S527-L530 PolarHBondContact O-N 3.26Å; S527-N531 WeakPolarHBondContact O-CB 3.46Å; S527-N531 PolarHBondContact O-N 3.22Å; S527-N531 VanDerWaalsContact O-N 3.09Å; S527-N531 PolarHBondContact O-ND2 2.65Å
528	A	94.8	Very high	93.3	Very high	0 Å²	0	25.8 Å²	25.8	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-60.6	-45.4	178.8	0	0	0	0	0	112	I494 L524 L525 I526 N531 D532 V533 L541	I494-A528 HydrophobicContact CG2-CB 4.15Å; L524-A528 WeakPolarHBondContact O-CB 3.28Å; L524-A528 PolarHBondContact O-N 3.23Å; L525-A528 PolarHBondContact O-N 3.41Å; I526-A528 PolarHBondContact O-N 3.49Å; A528-N531 CarbonylContact O-C 3.59Å; A528-N531 PolarHBondContact O-N 2.84Å; A528-N531 VanDerWaalsContact O-N 3.15Å; A528-D532 PolarHBondContact O-N 2.91Å; A528-V533 HydrophobicContact CB-CB 3.93Å; A528-V533 HydrophobicContact CB-CG1 4.38Å; A528-V533 HydrophobicContact CB-CG2 4.01Å; A528-V533 VanDerWaalsContact O-CB 3.26Å; A528-V533 WeakPolarHBondContact O-CB 3.2Å; A528-V533 WeakPolarHBondContact O-CG2 3.43Å; A528-V533 PolarHBondContact O-N 3.16Å; A528-L541 HydrophobicContact CB-CD2 3.3Å
529	K	92.7	Very high	93.2	Very high	6 Å²	6	28.6 Å²	28.6	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-62.1	-44.7	178.1	-71	174.2	-176.9	-168.4	0	113	I19 S20 L525 I526 S527 N531 D532 L538 E560	I19-K529 HydrophobicContact CG2-CB 3.76Å; I19-K529 WeakPolarHBondContact CG2-O 3.44Å; S20-K529 VanDerWaalsContact CB-NZ 3.26Å; S20-K529 WeakPolarHBondContact OG-CE 3.46Å; S20-K529 PolarHBondContact OG-NZ 2.95Å; L525-K529 HydrophobicContact CG-CD 4.37Å; L525-K529 VanDerWaalsContact O-CG 3.28Å; L525-K529 WeakPolarHBondContact O-CG 3.49Å; L525-K529 PolarHBondContact O-N 3.17Å; I526-K529 PolarHBondContact O-N 3.01Å; S527-K529 PolarHBondContact O-N 3.18Å; K529-N531 PolarHBondContact O-N 3.38Å; K529-D532 PolarHBondContact O-N 3.28Å; K529-D532 VanDerWaalsContact O-N 3.14Å; K529-L538 HydrophobicContact CG-CD1 4.05Å; K529-L538 HydrophobicContact CG-CD2 4.4Å; K529-E560 WeakPolarHBondContact CD-OE1 3.36Å; K529-E560 IonicContact NZ-OE1 2.7Å; K529-E560 PolarHBondContact NZ-OE1 3.01Å; K529-E560 IonicContact NZ-OE2 2.66Å; K529-E560 PolarHBondContact NZ-OE2 3.34Å
530	L	92	Very high	93	Very high	36 Å²	36	29.5 Å²	29.5	19%	0.188	17%	0.166	C	C	.	.	H	α-helix	trans	-66.4	-20.8	176.4	-71.5	168.3	0	0	0	113.1	I19 I526 S527 L571	I19-L530 HydrophobicContact CD1-CD2 3.99Å; I19-L530 HydrophobicContact CG2-CD2 4.3Å; I526-L530 HydrophobicContact CG2-CD1 3.67Å; I526-L530 HydrophobicContact CG2-CG 4.41Å; I526-L530 WeakPolarHBondContact O-CB 3.41Å; I526-L530 WeakPolarHBondContact O-CG 3.28Å; I526-L530 PolarHBondContact O-N 2.98Å; S527-L530 PolarHBondContact O-N 3.26Å; L530-L571 HydrophobicContact CD1-CB 3.74Å; L530-L571 HydrophobicContact CD1-CD1 4.44Å
531	N	90.2	Very high	92.9	Very high	17 Å²	17	29.5 Å²	29.5	9%	0.091	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	29.7	174.1	-68.6	-71.5	0	0	0	112.4	C91 Y95 I494 S527 A528 K529 V533	C91-N531 PolarHBondContact SG-OD1 3.08Å; Y95-N531 VanDerWaalsContact CE2-OD1 3.23Å; Y95-N531 WeakPolarHBondContact CE2-OD1 3.42Å; I494-N531 HydrophobicContact CD1-CB 3.87Å; I494-N531 HydrophobicContact CG1-CB 3.67Å; S527-N531 WeakPolarHBondContact O-CB 3.46Å; S527-N531 PolarHBondContact O-N 3.22Å; S527-N531 VanDerWaalsContact O-N 3.09Å; S527-N531 PolarHBondContact O-ND2 2.65Å; A528-N531 CarbonylContact O-C 3.59Å; A528-N531 PolarHBondContact O-N 2.84Å; A528-N531 VanDerWaalsContact O-N 3.15Å; K529-N531 PolarHBondContact O-N 3.38Å; N531-V533 PolarHBondContact O-N 2.69Å; N531-V533 VanDerWaalsContact O-N 3.12Å
532	D	88.3	Confident	92.8	Very high	76 Å²	76	30.6 Å²	30.6	41%	0.406	17%	0.172	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.3	20.1	175.3	-81.6	-31.7	0	0	0	116.7	N94 A528 K529 K534	N94-D532 PolarHBondContact ND2-OD2 2.93Å; A528-D532 PolarHBondContact O-N 2.91Å; K529-D532 PolarHBondContact O-N 3.28Å; K529-D532 VanDerWaalsContact O-N 3.14Å; D532-K534 WeakPolarHBondContact O-CG 3.17Å; D532-K534 PolarHBondContact O-N 3.19Å; D532-K534 VanDerWaalsContact O-N 3.08Å; D532-K534 WeakPolarHBondContact OD1-CE 3.01Å; D532-K534 IonicContact OD1-NZ 3.5Å; D532-K534 PolarHBondContact OD1-NZ 2.99Å
533	V	89.2	Confident	92.8	Very high	8 Å²	8	35.1 Å²	35.1	5%	0.048	19%	0.193	C	C	.	.			trans	-70.2	108	172.4	-178.4	0	0	0	0	109.6	I494 A528 N531 Q537 L538	I494-V533 HydrophobicContact CD1-CG2 3.68Å; A528-V533 HydrophobicContact CB-CB 3.93Å; A528-V533 HydrophobicContact CB-CG1 4.38Å; A528-V533 HydrophobicContact CB-CG2 4.01Å; A528-V533 VanDerWaalsContact O-CB 3.26Å; A528-V533 WeakPolarHBondContact O-CB 3.2Å; A528-V533 WeakPolarHBondContact O-CG2 3.43Å; A528-V533 PolarHBondContact O-N 3.16Å; N531-V533 PolarHBondContact O-N 2.69Å; N531-V533 VanDerWaalsContact O-N 3.12Å; V533-Q537 HydrophobicContact CG1-CB 3.75Å; V533-L538 HydrophobicContact CG1-CB 4.35Å
534	K	88.4	Confident	92.7	Very high	88 Å²	88	37.5 Å²	37.5	38%	0.383	20%	0.204	S	C	.	.			trans	-128.4	167.6	-172.5	-68.3	168.1	-169.6	168.6	0	111.7	D532 S536	D532-K534 WeakPolarHBondContact O-CG 3.17Å; D532-K534 PolarHBondContact O-N 3.19Å; D532-K534 VanDerWaalsContact O-N 3.08Å; D532-K534 WeakPolarHBondContact OD1-CE 3.01Å; D532-K534 IonicContact OD1-NZ 3.5Å; D532-K534 PolarHBondContact OD1-NZ 2.99Å; K534-S536 PolarHBondContact O-N 2.8Å
535	G	88.2	Confident	92.7	Very high	42 Å²	42	37.5 Å²	37.5	43%	0.433	20%	0.204	S	C	.	.	H	α-helix	trans	58.5	-133.2	173.6	0	0	0	0	0	114.2	Q537 L538 Y539	G535-Q537 VanDerWaalsContact C-N 3.29Å; G535-Q537 PolarHBondContact O-N 3.03Å; G535-L538 PolarHBondContact O-N 3.12Å; G535-L538 VanDerWaalsContact O-N 3.12Å; G535-Y539 PolarHBondContact O-N 2.8Å
536	S	89.2	Confident	92.7	Very high	106 Å²	106	40.1 Å²	40.1	74%	0.741	22%	0.216	S	C	*	.	H	α-helix	trans	-60.4	-32.4	-174.6	57.1	0	0	0	0	114.2	K534 Y539 G540	K534-S536 PolarHBondContact O-N 2.8Å; S536-Y539 PolarHBondContact O-N 3.41Å; S536-G540 PolarHBondContact O-N 2.89Å
537	Q	90.8	Very high	92.7	Very high	119 Å²	119	43.9 Å²	43.9	56%	0.556	24%	0.239	S	C	*	.	H	α-helix	trans	-67.7	-41.4	175.7	-65.7	-171.2	6.7	0	0	111.7	V533 G535 G540 L541	V533-Q537 HydrophobicContact CG1-CB 3.75Å; G535-Q537 VanDerWaalsContact C-N 3.29Å; G535-Q537 PolarHBondContact O-N 3.03Å; Q537-G540 PolarHBondContact O-N 3.45Å; Q537-L541 PolarHBondContact O-N 3.13Å
538	L	92.2	Very high	92.7	Very high	12 Å²	12	45.9 Å²	45.9	6%	0.063	25%	0.252	C	S	.	.	H	α-helix	trans	-66.8	-38.1	176.6	-173.8	62.5	0	0	0	111.5	S20 L525 K529 V533 G535 L541 L542	S20-L538 WeakPolarHBondContact O-CD2 3.21Å; L525-L538 HydrophobicContact CD1-CD1 3.65Å; K529-L538 HydrophobicContact CG-CD1 4.05Å; K529-L538 HydrophobicContact CG-CD2 4.4Å; V533-L538 HydrophobicContact CG1-CB 4.35Å; G535-L538 PolarHBondContact O-N 3.12Å; G535-L538 VanDerWaalsContact O-N 3.12Å; L538-L541 HydrophobicContact CD1-CD2 4.44Å; L538-L541 PolarHBondContact O-N 2.57Å; L538-L542 WeakPolarHBondContact O-CG 3.45Å; L538-L542 PolarHBondContact O-N 3.06Å
539	Y	92.5	Very high	92.7	Very high	88 Å²	88	46.3 Å²	46.3	35%	0.345	25%	0.254	S	S	.	.	H	α-helix	trans	-61.8	-46.8	172.5	-175.2	-89.5	0	0	0	111.8	F66 G535 S536 L541 L542 Q543	F66-Y539 HydrophobicContact CD1-CD2 4.41Å; F66-Y539 AromaticContact CE1-CD2 3.91Å; F66-Y539 HydrophobicContact CE1-CD2 3.91Å; F66-Y539 HydrophobicContact CE1-CE2 4.25Å; G535-Y539 PolarHBondContact O-N 2.8Å; S536-Y539 PolarHBondContact O-N 3.41Å; Y539-L541 VanDerWaalsContact C-N 3.31Å; Y539-L541 PolarHBondContact O-N 2.7Å; Y539-L542 PolarHBondContact O-N 3.04Å; Y539-Q543 PolarHBondContact O-N 3.22Å
540	G	93.8	Very high	92.8	Very high	18 Å²	18	56.5 Å²	56.5	19%	0.186	29%	0.292	C	S	.	.	H	α-helix	trans	-59.2	-39.8	174.6	0	0	0	0	0	112.8	S536 Q537 Q543 E544	S536-G540 PolarHBondContact O-N 2.89Å; Q537-G540 PolarHBondContact O-N 3.45Å; G540-Q543 PolarHBondContact O-N 3.37Å; G540-E544 PolarHBondContact O-N 2.7Å
541	L	95.1	Very high	92.9	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-61.8	-46.5	174	-179.9	61.5	0	0	0	112.5	I484 L488 M490 L524 L525 A528 Q537 L538 Y539 Q543 E544 L545	I484-L541 HydrophobicContact CG2-CD1 3.89Å; L488-L541 HydrophobicContact CD1-CB 3.98Å; L488-L541 HydrophobicContact CD1-CD1 3.73Å; L488-L541 HydrophobicContact CD1-CG 4.48Å; M490-L541 HydrophobicContact CE-CD1 3.85Å; M490-L541 HydrophobicContact CE-CD2 4.36Å; M490-L541 HydrophobicContact SD-CD1 4.23Å; M490-L541 HydrophobicContact SD-CD2 4.18Å; L524-L541 HydrophobicContact CD2-CD1 3.97Å; L524-L541 HydrophobicContact CG-CD1 4.31Å; L525-L541 HydrophobicContact CD1-CD2 4.34Å; A528-L541 HydrophobicContact CB-CD2 3.3Å; Q537-L541 PolarHBondContact O-N 3.13Å; L538-L541 HydrophobicContact CD1-CD2 4.44Å; L538-L541 PolarHBondContact O-N 2.57Å; Y539-L541 VanDerWaalsContact C-N 3.31Å; Y539-L541 PolarHBondContact O-N 2.7Å; L541-Q543 VanDerWaalsContact C-N 3.31Å; L541-Q543 PolarHBondContact O-N 2.95Å; L541-E544 PolarHBondContact O-N 3.48Å; L541-L545 HydrophobicContact CD1-CD1 4.04Å; L541-L545 HydrophobicContact CD1-CG 4.08Å; L541-L545 HydrophobicContact CG-CD1 3.94Å; L541-L545 HydrophobicContact CG-CG 4.41Å; L541-L545 WeakPolarHBondContact O-CB 3.03Å; L541-L545 VanDerWaalsContact O-CG 3.23Å; L541-L545 WeakPolarHBondContact O-CG 3.27Å; L541-L545 PolarHBondContact O-N 2.96Å
542	L	95	Very high	93.1	Very high	24 Å²	24	57 Å²	57	13%	0.126	30%	0.298	C	S	.	.	H	α-helix	trans	-59.6	-42.3	176.5	-72.6	169.4	0	0	0	111.6	L525 L538 Y539 E546 L556 I557	L525-L542 HydrophobicContact CD1-CD2 3.81Å; L525-L542 HydrophobicContact CD1-CG 4.31Å; L525-L542 HydrophobicContact CD2-CD2 3.87Å; L538-L542 WeakPolarHBondContact O-CG 3.45Å; L538-L542 PolarHBondContact O-N 3.06Å; Y539-L542 PolarHBondContact O-N 3.04Å; L542-E546 WeakPolarHBondContact O-CB 3.41Å; L542-E546 PolarHBondContact O-N 3.47Å; L542-L556 HydrophobicContact CD2-CD2 3.72Å; L542-L556 HydrophobicContact CD2-CG 4.47Å; L542-I557 HydrophobicContact CD2-CD1 4.22Å
543	Q	94.9	Very high	93.2	Very high	94 Å²	94	57 Å²	57	44%	0.439	29%	0.292	S	S	.	.	H	α-helix	trans	-68.2	-41.2	178.9	-173	172.7	-3.2	0	0	113	Y539 G540 L541 T547	Y539-Q543 PolarHBondContact O-N 3.22Å; G540-Q543 PolarHBondContact O-N 3.37Å; L541-Q543 VanDerWaalsContact C-N 3.31Å; L541-Q543 PolarHBondContact O-N 2.95Å; Q543-T547 WeakPolarHBondContact O-CB 3.49Å; Q543-T547 WeakPolarHBondContact O-CG2 3.3Å; Q543-T547 PolarHBondContact O-N 3.35Å; Q543-T547 PolarHBondContact O-OG1 2.66Å
544	E	96	Very high	93.4	Very high	50 Å²	50	65.9 Å²	65.9	23%	0.234	33%	0.325	C	S	.	.	H	α-helix	trans	-68	-36.5	175.3	-82.3	-67.6	126.6	0	0	112.6	I484 R487 L488 G540 L541 T547 T548	I484-E544 HydrophobicContact CG2-CB 3.93Å; R487-E544 WeakPolarHBondContact CD-OE2 3.45Å; R487-E544 IonicContact CZ-OE2 3.09Å; R487-E544 IonicContact NE-OE2 3.57Å; R487-E544 IonicContact NH1-OE2 3.98Å; R487-E544 PolarHBondContact NH1-OE2 2.97Å; L488-E544 HydrophobicContact CD1-CB 4.14Å; L488-E544 HydrophobicContact CD1-CG 4.16Å; L488-E544 HydrophobicContact CD2-CG 3.97Å; L488-E544 HydrophobicContact CG-CG 4.11Å; G540-E544 PolarHBondContact O-N 2.7Å; L541-E544 PolarHBondContact O-N 3.48Å; E544-T547 WeakPolarHBondContact CA-OG1 3.41Å; E544-T547 PolarHBondContact O-OG1 3.27Å; E544-T548 WeakPolarHBondContact O-CB 3.45Å; E544-T548 PolarHBondContact O-N 3.05Å; E544-T548 PolarHBondContact O-OG1 2.78Å
545	L	96.6	Very high	93.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	32%	0.316	C	S	.	.	H	α-helix	trans	-65.2	-48.3	174.3	-74.6	172.4	0	0	0	111.6	I484 L524 L525 L541 F549 L556	I484-L545 HydrophobicContact CD1-CD2 3.91Å; L524-L545 HydrophobicContact CD2-CD2 4.22Å; L525-L545 HydrophobicContact CB-CD1 4.38Å; L541-L545 HydrophobicContact CD1-CD1 4.04Å; L541-L545 HydrophobicContact CD1-CG 4.08Å; L541-L545 HydrophobicContact CG-CD1 3.94Å; L541-L545 HydrophobicContact CG-CG 4.41Å; L541-L545 WeakPolarHBondContact O-CB 3.03Å; L541-L545 VanDerWaalsContact O-CG 3.23Å; L541-L545 WeakPolarHBondContact O-CG 3.27Å; L541-L545 PolarHBondContact O-N 2.96Å; L545-F549 HydrophobicContact CD2-CD2 4.07Å; L545-F549 HydrophobicContact CD2-CE2 4Å; L545-F549 WeakPolarHBondContact O-CB 3.18Å; L545-F549 PolarHBondContact O-N 3.23Å; L545-L556 HydrophobicContact CB-CD2 4.08Å; L545-L556 HydrophobicContact CD1-CD2 3.95Å
546	E	95.2	Very high	93.9	Very high	55 Å²	55	61.6 Å²	61.6	26%	0.257	30%	0.296	S	S	.	.	H	α-helix	trans	-56.5	-51.8	177.8	173.7	149.3	-124.4	0	0	111.5	L542 R550 I551 R553	L542-E546 WeakPolarHBondContact O-CB 3.41Å; L542-E546 PolarHBondContact O-N 3.47Å; E546-R550 WeakPolarHBondContact O-CA 2.98Å; E546-R550 PolarHBondContact O-N 2.97Å; E546-I551 WeakPolarHBondContact CG-O 3.39Å; E546-I551 PolarHBondContact O-N 3.23Å; E546-R553 PolarHBondContact OE1-N 3.36Å; E546-R553 IonicContact OE2-CZ 3.19Å; E546-R553 IonicContact OE2-NE 3.17Å; E546-R553 PolarHBondContact OE2-NE 3.29Å; E546-R553 IonicContact OE2-NH2 2.7Å; E546-R553 PolarHBondContact OE2-NH2 3.2Å
547	T	95.5	Very high	94	Very high	82 Å²	82	59.8 Å²	59.8	50%	0.503	28%	0.277	S	S	.	.	H	α-helix	trans	-68.7	-45.5	179	53.1	0	0	0	0	113.3	Q543 E544	Q543-T547 WeakPolarHBondContact O-CB 3.49Å; Q543-T547 WeakPolarHBondContact O-CG2 3.3Å; Q543-T547 PolarHBondContact O-N 3.35Å; Q543-T547 PolarHBondContact O-OG1 2.66Å; E544-T547 WeakPolarHBondContact CA-OG1 3.41Å; E544-T547 PolarHBondContact O-OG1 3.27Å
548	T	96	Very high	94	Very high	43 Å²	43	58 Å²	58	26%	0.264	27%	0.272	S	S	.	.	H	α-helix	trans	-73.1	-41.1	-173.6	-62	0	0	0	0	112.5	V480 I484 R487 E544	V480-T548 HydrophobicContact CG1-CG2 3.44Å; V480-T548 VanDerWaalsContact CG1-CG2 3.44Å; I484-T548 HydrophobicContact CD1-CG2 3.86Å; I484-T548 HydrophobicContact CG1-CG2 4.14Å; R487-T548 PolarHBondContact NH1-OG1 2.86Å; E544-T548 WeakPolarHBondContact O-CB 3.45Å; E544-T548 PolarHBondContact O-N 3.05Å; E544-T548 PolarHBondContact O-OG1 2.78Å
549	F	94.8	Very high	94	Very high	9 Å²	9	57.6 Å²	57.6	4%	0.039	27%	0.27	C	S	.	.	H	α-helix	trans	-90.7	-13.9	179.1	-73.9	-71.8	0	0	0	114.2	I477 V480 L481 I484 R517 S521 L545 I551	I477-F549 HydrophobicContact CG2-CE1 4.33Å; I477-F549 HydrophobicContact CG2-CZ 4.37Å; V480-F549 HydrophobicContact CB-CE1 4.48Å; V480-F549 HydrophobicContact CB-CZ 4.18Å; V480-F549 HydrophobicContact CG1-CE1 3.9Å; V480-F549 HydrophobicContact CG1-CE2 3.99Å; V480-F549 HydrophobicContact CG1-CZ 3.52Å; L481-F549 HydrophobicContact CD2-CE2 3.78Å; L481-F549 HydrophobicContact CD2-CZ 3.8Å; I484-F549 HydrophobicContact CD1-CD2 4.21Å; I484-F549 HydrophobicContact CD1-CE2 3.76Å; R517-F549 HydrophobicContact CB-CB 4.3Å; R517-F549 HydrophobicContact CB-CD1 3.85Å; R517-F549 HydrophobicContact CB-CG 4.32Å; R517-F549 WeakPolarHBondContact CD-O 3.19Å; R517-F549 HydrophobicContact CG-CD1 3.81Å; R517-F549 HydrophobicContact CG-CE1 4.45Å; R517-F549 PolarHBondContact NH1-O 3.02Å; S521-F549 WeakPolarHBondContact OG-CD2 3.44Å; L545-F549 HydrophobicContact CD2-CD2 4.07Å; L545-F549 HydrophobicContact CD2-CE2 4Å; L545-F549 WeakPolarHBondContact O-CB 3.18Å; L545-F549 PolarHBondContact O-N 3.23Å; F549-I551 HydrophobicContact CB-CD1 4.11Å; F549-I551 HydrophobicContact CB-CG1 4.06Å; F549-I551 HydrophobicContact CB-CG2 4.11Å
550	R	94.8	Very high	94.1	Very high	220 Å²	220	53.7 Å²	53.7	83%	0.83	26%	0.255	S	S	*	.	T	Hydrogen-bonded Turn	trans	57.2	59.9	-172.5	-55.5	-175.9	-177.1	-174.8	-2.4	111.4	E546	E546-R550 WeakPolarHBondContact O-CA 2.98Å; E546-R550 PolarHBondContact O-N 2.97Å
551	I	94.4	Very high	94	Very high	22 Å²	22	53 Å²	53	11%	0.113	25%	0.246	C	C	.	.			trans	-126.5	147.2	-178.9	55.1	174.4	0	0	0	108.9	R517 L518 S521 E546 F549 L556	R517-I551 HydrophobicContact CB-CG2 4.47Å; L518-I551 HydrophobicContact CD2-CB 3.69Å; L518-I551 HydrophobicContact CD2-CD1 4Å; L518-I551 HydrophobicContact CD2-CG1 4.41Å; L518-I551 HydrophobicContact CD2-CG2 3.66Å; L518-I551 HydrophobicContact CG-CG2 4.03Å; S521-I551 VanDerWaalsContact OG-CD1 3.3Å; S521-I551 WeakPolarHBondContact OG-CD1 3.48Å; E546-I551 WeakPolarHBondContact CG-O 3.39Å; E546-I551 PolarHBondContact O-N 3.23Å; F549-I551 HydrophobicContact CB-CD1 4.11Å; F549-I551 HydrophobicContact CB-CG1 4.06Å; F549-I551 HydrophobicContact CB-CG2 4.11Å; I551-L556 HydrophobicContact CD1-CB 4.36Å; I551-L556 HydrophobicContact CD1-CD1 4.28Å; I551-L556 HydrophobicContact CD1-CD2 4.35Å
552	S	93.3	Very high	93.9	Very high	41 Å²	41	53.5 Å²	53.5	29%	0.287	25%	0.249	S	C	.	.			trans	-76.4	143.6	176.2	86.8	0	0	0	0	110.9	R554 D555 L556	S552-R554 PolarHBondContact O-N 2.94Å; S552-D555 WeakPolarHBondContact CB-OD2 3.41Å; S552-D555 PolarHBondContact O-N 3.5Å; S552-D555 VanDerWaalsContact O-N 3.14Å; S552-D555 PolarHBondContact OG-N 2.84Å; S552-D555 VanDerWaalsContact OG-N 3.07Å; S552-D555 PolarHBondContact OG-OD2 3.32Å; S552-L556 PolarHBondContact O-N 3.35Å
553	R	91.8	Very high	93.9	Very high	76 Å²	76	52.4 Å²	52.4	29%	0.287	24%	0.243	S	C	.	.	H	α-helix	trans	-53	-37.5	171.9	-167.4	174	-57.7	-173.9	0.6	113	E546 L556 I557	E546-R553 PolarHBondContact OE1-N 3.36Å; E546-R553 IonicContact OE2-CZ 3.19Å; E546-R553 IonicContact OE2-NE 3.17Å; E546-R553 PolarHBondContact OE2-NE 3.29Å; E546-R553 IonicContact OE2-NH2 2.7Å; E546-R553 PolarHBondContact OE2-NH2 3.2Å; R553-L556 PolarHBondContact O-N 3.03Å; R553-I557 WeakPolarHBondContact O-CG1 2.86Å; R553-I557 PolarHBondContact O-N 3.17Å
554	R	92	Very high	93.8	Very high	194 Å²	194	47.9 Å²	47.9	73%	0.732	22%	0.223	S	C	*	.	H	α-helix	trans	-62.9	-44.4	178	-174.9	-179.3	-68.2	110.8	-1.3	111.8	S552 L556 N558	S552-R554 PolarHBondContact O-N 2.94Å; R554-L556 VanDerWaalsContact C-N 3.35Å; R554-N558 PolarHBondContact O-N 2.95Å; R554-N558 VanDerWaalsContact O-N 3.11Å; R554-N558 PolarHBondContact O-ND2 2.97Å; R554-N558 VanDerWaalsContact O-ND2 3.08Å
555	D	93.6	Very high	93.6	Very high	39 Å²	39	49.3 Å²	49.3	21%	0.209	23%	0.231	C	C	.	.	H	α-helix	trans	-69.6	-35.4	178.6	-59.7	-42.7	0	0	0	111.6	L518 S552 N558 T559	L518-D555 HydrophobicContact CD1-CB 4.42Å; L518-D555 HydrophobicContact CD2-CB 3.83Å; S552-D555 WeakPolarHBondContact CB-OD2 3.41Å; S552-D555 PolarHBondContact O-N 3.5Å; S552-D555 VanDerWaalsContact O-N 3.14Å; S552-D555 PolarHBondContact OG-N 2.84Å; S552-D555 VanDerWaalsContact OG-N 3.07Å; S552-D555 PolarHBondContact OG-OD2 3.32Å; D555-N558 PolarHBondContact O-N 2.87Å; D555-T559 VanDerWaalsContact O-CB 3.28Å; D555-T559 WeakPolarHBondContact O-CB 3.06Å; D555-T559 PolarHBondContact O-N 3Å; D555-T559 PolarHBondContact O-OG1 3.17Å
556	L	94	Very high	93.4	Very high	1 Å²	1	49.8 Å²	49.8	1%	0.005	24%	0.236	C	C	.	.	H	α-helix	trans	-61.6	-51.2	175.5	178.1	55.6	0	0	0	111.8	A522 L525 L542 L545 I551 S552 R553 R554 N558 T559 E560	A522-L556 HydrophobicContact CB-CD1 4.25Å; L525-L556 HydrophobicContact CD2-CD1 4.29Å; L525-L556 HydrophobicContact CD2-CD2 4.35Å; L525-L556 HydrophobicContact CD2-CG 4.02Å; L542-L556 HydrophobicContact CD2-CD2 3.72Å; L542-L556 HydrophobicContact CD2-CG 4.47Å; L545-L556 HydrophobicContact CB-CD2 4.08Å; L545-L556 HydrophobicContact CD1-CD2 3.95Å; I551-L556 HydrophobicContact CD1-CB 4.36Å; I551-L556 HydrophobicContact CD1-CD1 4.28Å; I551-L556 HydrophobicContact CD1-CD2 4.35Å; S552-L556 PolarHBondContact O-N 3.35Å; R553-L556 PolarHBondContact O-N 3.03Å; R554-L556 VanDerWaalsContact C-N 3.35Å; L556-N558 VanDerWaalsContact C-N 3.33Å; L556-N558 PolarHBondContact O-N 3.25Å; L556-T559 PolarHBondContact O-N 3.48Å; L556-E560 PolarHBondContact O-N 3.09Å
557	I	91.6	Very high	93.2	Very high	68 Å²	68	47.2 Å²	47.2	35%	0.349	22%	0.224	S	C	.	.	H	α-helix	trans	-65.1	-35.3	178.9	-62.4	-62.5	0	0	0	111.9	L525 L542 R553 E560	L525-I557 HydrophobicContact CD2-CD1 4.11Å; L542-I557 HydrophobicContact CD2-CD1 4.22Å; R553-I557 WeakPolarHBondContact O-CG1 2.86Å; R553-I557 PolarHBondContact O-N 3.17Å; I557-E560 WeakPolarHBondContact O-CB 3.48Å
558	N	91	Very high	93	Very high	83 Å²	83	49.4 Å²	49.4	44%	0.444	23%	0.229	S	C	.	.	H	α-helix	trans	-65.9	-46	172.1	-74.5	-38.9	0	0	0	111.7	R554 D555 L556 E560 L561 D562	R554-N558 PolarHBondContact O-N 2.95Å; R554-N558 VanDerWaalsContact O-N 3.11Å; R554-N558 PolarHBondContact O-ND2 2.97Å; R554-N558 VanDerWaalsContact O-ND2 3.08Å; D555-N558 PolarHBondContact O-N 2.87Å; L556-N558 VanDerWaalsContact C-N 3.33Å; L556-N558 PolarHBondContact O-N 3.25Å; N558-E560 PolarHBondContact O-N 3.27Å; N558-L561 PolarHBondContact O-N 3.35Å; N558-D562 PolarHBondContact O-N 3.01Å
559	T	93.2	Very high	92.8	Very high	3 Å²	3	51.2 Å²	51.2	2%	0.018	23%	0.233	C	C	.	.	H	α-helix	trans	-67.6	-24.4	-178.5	-52.6	0	0	0	0	112.4	L295 L518 A522 D555 L556 L561 D562 V563	L295-T559 HydrophobicContact CD1-CG2 4.13Å; L518-T559 HydrophobicContact CB-CG2 3.9Å; A522-T559 HydrophobicContact CB-CG2 4.21Å; D555-T559 VanDerWaalsContact O-CB 3.28Å; D555-T559 WeakPolarHBondContact O-CB 3.06Å; D555-T559 PolarHBondContact O-N 3Å; D555-T559 PolarHBondContact O-OG1 3.17Å; L556-T559 PolarHBondContact O-N 3.48Å; T559-L561 VanDerWaalsContact C-N 3.32Å; T559-L561 PolarHBondContact O-N 2.86Å; T559-D562 PolarHBondContact O-N 3.12Å; T559-V563 HydrophobicContact CG2-CG2 4.13Å; T559-V563 WeakPolarHBondContact O-CB 3.44Å; T559-V563 WeakPolarHBondContact O-CG2 3.43Å; T559-V563 PolarHBondContact O-N 3.11Å
560	E	94	Very high	92.6	Very high	6 Å²	6	52.7 Å²	52.7	3%	0.028	25%	0.245	C	C	.	.	H	α-helix	trans	-53.4	-49.8	172.7	-167.6	-173.5	160.8	0	0	111.7	L16 L525 I526 K529 L556 I557 N558 V563 A564	L16-E560 HydrophobicContact CD1-CG 4.29Å; L525-E560 HydrophobicContact CD2-CG 4.46Å; I526-E560 HydrophobicContact CD1-CG 3.99Å; I526-E560 HydrophobicContact CG1-CG 3.63Å; K529-E560 WeakPolarHBondContact CD-OE1 3.36Å; K529-E560 IonicContact NZ-OE1 2.7Å; K529-E560 PolarHBondContact NZ-OE1 3.01Å; K529-E560 IonicContact NZ-OE2 2.66Å; K529-E560 PolarHBondContact NZ-OE2 3.34Å; L556-E560 PolarHBondContact O-N 3.09Å; I557-E560 WeakPolarHBondContact O-CB 3.48Å; N558-E560 PolarHBondContact O-N 3.27Å; E560-V563 PolarHBondContact O-N 3.05Å; E560-A564 PolarHBondContact O-N 3.08Å
561	L	91.5	Very high	92.4	Very high	2 Å²	2	42.4 Å²	42.4	1%	0.01	21%	0.206	C	C	.	.	H	α-helix	trans	-64.6	-43.8	175.6	178	70.9	0	0	0	111.7	K9 A12 L13 L16 N558 T559 V563 A564 L565	K9-L561 HydrophobicContact CD-CD2 3.95Å; K9-L561 HydrophobicContact CG-CD2 3.82Å; A12-L561 HydrophobicContact CB-CD1 3.46Å; A12-L561 VanDerWaalsContact CB-CD1 3.46Å; L13-L561 HydrophobicContact CD2-CB 4.26Å; L13-L561 HydrophobicContact CD2-CD2 3.95Å; L13-L561 HydrophobicContact CD2-CG 4.49Å; L13-L561 HydrophobicContact CG-CD2 3.97Å; L16-L561 HydrophobicContact CD1-CB 3.98Å; L16-L561 HydrophobicContact CD1-CD1 3.87Å; N558-L561 PolarHBondContact O-N 3.35Å; T559-L561 VanDerWaalsContact C-N 3.32Å; T559-L561 PolarHBondContact O-N 2.86Å; L561-V563 VanDerWaalsContact C-N 3.26Å; L561-V563 PolarHBondContact O-N 3.1Å; L561-A564 PolarHBondContact O-N 2.79Å; L561-L565 HydrophobicContact CD1-CD1 4.21Å; L561-L565 HydrophobicContact CD1-CG 4.26Å; L561-L565 HydrophobicContact CD2-CD1 4.28Å; L561-L565 HydrophobicContact CG-CD1 3.84Å; L561-L565 HydrophobicContact CG-CG 4.31Å; L561-L565 WeakPolarHBondContact O-CB 3.42Å; L561-L565 VanDerWaalsContact O-CG 3.29Å; L561-L565 WeakPolarHBondContact O-CG 3.41Å; L561-L565 PolarHBondContact O-N 2.93Å
562	D	92.6	Very high	92.3	Very high	12 Å²	12	43.2 Å²	43.2	6%	0.064	21%	0.211	C	C	.	.	H	α-helix	trans	-64.5	-33.3	-178.1	-58.8	-44.2	0	0	0	111.4	L295 F510 N558 T559 G566	L295-D562 HydrophobicContact CB-CB 4.37Å; L295-D562 WeakPolarHBondContact CB-OD2 3.36Å; L295-D562 HydrophobicContact CD1-CB 4.42Å; F510-D562 HydrophobicContact CZ-CB 4.24Å; F510-D562 WeakPolarHBondContact CZ-O 3.03Å; N558-D562 PolarHBondContact O-N 3.01Å; T559-D562 PolarHBondContact O-N 3.12Å; D562-G566 PolarHBondContact O-N 3.25Å
563	V	94.6	Very high	92.1	Very high	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.198	C	C	.	.	H	α-helix	trans	-69.2	-45.5	171.1	160.9	0	0	0	0	111.9	L505 C519 A522 I526 T559 E560 L561 L565 G566 L567	L505-V563 HydrophobicContact CD1-CB 4.39Å; L505-V563 HydrophobicContact CD1-CG1 3.79Å; L505-V563 HydrophobicContact CD1-CG2 3.84Å; L505-V563 HydrophobicContact CD2-CG1 4.35Å; C519-V563 HydrophobicContact CB-CG2 4.15Å; A522-V563 HydrophobicContact CB-CB 4.23Å; A522-V563 HydrophobicContact CB-CG2 3.85Å; I526-V563 HydrophobicContact CD1-CB 4.12Å; I526-V563 HydrophobicContact CD1-CG1 3.57Å; T559-V563 HydrophobicContact CG2-CG2 4.13Å; T559-V563 WeakPolarHBondContact O-CB 3.44Å; T559-V563 WeakPolarHBondContact O-CG2 3.43Å; T559-V563 PolarHBondContact O-N 3.11Å; E560-V563 PolarHBondContact O-N 3.05Å; L561-V563 VanDerWaalsContact C-N 3.26Å; L561-V563 PolarHBondContact O-N 3.1Å; V563-L565 VanDerWaalsContact C-N 3.26Å; V563-L565 PolarHBondContact O-N 2.63Å; V563-G566 PolarHBondContact O-N 3.46Å; V563-G566 VanDerWaalsContact O-N 3.17Å; V563-L567 HydrophobicContact CG1-CD1 4.02Å; V563-L567 PolarHBondContact O-N 2.83Å
564	A	93.2	Very high	92	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-38.1	177.7	0	0	0	0	0	112	L16 E560 L561 E568 F569 L571	L16-A564 HydrophobicContact CD1-CB 4.25Å; L16-A564 HydrophobicContact CD2-CB 4.32Å; E560-A564 PolarHBondContact O-N 3.08Å; L561-A564 PolarHBondContact O-N 2.79Å; A564-E568 PolarHBondContact O-N 2.94Å; A564-F569 HydrophobicContact CB-CD1 4.14Å; A564-F569 HydrophobicContact CB-CE1 3.74Å; A564-F569 HydrophobicContact CB-CZ 4.28Å; A564-F569 PolarHBondContact O-N 2.78Å; A564-L571 HydrophobicContact CB-CD1 4.28Å; A564-L571 HydrophobicContact CB-CD2 4.46Å
565	L	92.1	Very high	91.9	Very high	79 Å²	79	34.6 Å²	34.6	41%	0.414	18%	0.181	S	C	.	.	H	α-helix	trans	-68.2	-41.6	172.4	-70.2	169.5	0	0	0	112.6	L561 V563 L567 E568 F569	L561-L565 HydrophobicContact CD1-CD1 4.21Å; L561-L565 HydrophobicContact CD1-CG 4.26Å; L561-L565 HydrophobicContact CD2-CD1 4.28Å; L561-L565 HydrophobicContact CG-CD1 3.84Å; L561-L565 HydrophobicContact CG-CG 4.31Å; L561-L565 WeakPolarHBondContact O-CB 3.42Å; L561-L565 VanDerWaalsContact O-CG 3.29Å; L561-L565 WeakPolarHBondContact O-CG 3.41Å; L561-L565 PolarHBondContact O-N 2.93Å; V563-L565 VanDerWaalsContact C-N 3.26Å; V563-L565 PolarHBondContact O-N 2.63Å; L565-L567 PolarHBondContact O-N 2.73Å; L565-E568 PolarHBondContact O-N 2.87Å; L565-F569 HydrophobicContact CD2-CE2 3.76Å; L565-F569 HydrophobicContact CD2-CZ 4.02Å; L565-F569 HydrophobicContact CG-CZ 4.46Å
566	G	91.4	Very high	91.7	Very high	11 Å²	11	39.8 Å²	39.8	11%	0.113	20%	0.199	C	C	.	.	H	α-helix	trans	-62.5	-30.6	176.4	0	0	0	0	0	113.4	K508 D562 V563	K508-G566 WeakPolarHBondContact CD-O 3.2Å; K508-G566 PolarHBondContact NZ-O 3.37Å; D562-G566 PolarHBondContact O-N 3.25Å; V563-G566 PolarHBondContact O-N 3.46Å; V563-G566 VanDerWaalsContact O-N 3.17Å
567	L	92.7	Very high	91.6	Very high	0 Å²	0	40 Å²	40	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	2.9	173.1	-67	170	0	0	0	113.7	L412 L501 K504 L505 V563 L565 F569 S570 L571	L412-L567 WeakPolarHBondContact CD1-O 3.21Å; L412-L567 HydrophobicContact CD2-CD2 4.13Å; L501-L567 HydrophobicContact CB-CD1 4.04Å; L501-L567 HydrophobicContact CD2-CD1 4.1Å; L501-L567 HydrophobicContact CG-CD1 4.47Å; K504-L567 HydrophobicContact CB-CD2 3.65Å; L505-L567 HydrophobicContact CD2-CD1 4.36Å; L505-L567 HydrophobicContact CD2-CD2 4.04Å; L505-L567 HydrophobicContact CD2-CG 3.77Å; L505-L567 HydrophobicContact CG-CD1 4.28Å; L505-L567 HydrophobicContact CG-CD2 4.02Å; L505-L567 HydrophobicContact CG-CG 4.05Å; V563-L567 HydrophobicContact CG1-CD1 4.02Å; V563-L567 PolarHBondContact O-N 2.83Å; L565-L567 PolarHBondContact O-N 2.73Å; L567-F569 PolarHBondContact O-N 2.95Å; L567-F569 VanDerWaalsContact O-N 3.15Å; L567-S570 VanDerWaalsContact O-CB 3.23Å; L567-S570 WeakPolarHBondContact O-CB 3.46Å; L567-S570 PolarHBondContact O-N 3.31Å; L567-L571 HydrophobicContact CB-CD2 4.12Å; L567-L571 HydrophobicContact CD1-CD2 3.8Å
568	E	91.5	Very high	91.7	Very high	128 Å²	128	36.7 Å²	36.7	60%	0.598	18%	0.183	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.1	-179	-66.2	162.5	-149.9	0	0	113.2	L412 K508 A564 L565 S570	L412-E568 HydrophobicContact CD1-CB 3.87Å; L412-E568 HydrophobicContact CD1-CG 4.23Å; K508-E568 VanDerWaalsContact NZ-CD 3.25Å; K508-E568 IonicContact NZ-OE1 3.47Å; K508-E568 PolarHBondContact NZ-OE1 2.73Å; K508-E568 IonicContact NZ-OE2 3.62Å; A564-E568 PolarHBondContact O-N 2.94Å; L565-E568 PolarHBondContact O-N 2.87Å; E568-S570 PolarHBondContact O-N 3.41Å; E568-S570 VanDerWaalsContact O-N 3.15Å
569	F	89.9	Confident	91.8	Very high	81 Å²	81	35.6 Å²	35.6	36%	0.355	18%	0.177	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.7	12.8	-172.2	-59.9	-85.4	0	0	0	116.1	A12 F15 A564 L565 L567 L571	A12-F569 HydrophobicContact CB-CE1 4.27Å; A12-F569 HydrophobicContact CB-CE2 4.5Å; A12-F569 HydrophobicContact CB-CZ 3.62Å; F15-F569 HydrophobicContact CD1-CD1 4.21Å; F15-F569 HydrophobicContact CD1-CE1 4.21Å; F15-F569 HydrophobicContact CE1-CD1 4.1Å; A564-F569 HydrophobicContact CB-CD1 4.14Å; A564-F569 HydrophobicContact CB-CE1 3.74Å; A564-F569 HydrophobicContact CB-CZ 4.28Å; A564-F569 PolarHBondContact O-N 2.78Å; L565-F569 HydrophobicContact CD2-CE2 3.76Å; L565-F569 HydrophobicContact CD2-CZ 4.02Å; L565-F569 HydrophobicContact CG-CZ 4.46Å; L567-F569 PolarHBondContact O-N 2.95Å; L567-F569 VanDerWaalsContact O-N 3.15Å; F569-L571 HydrophobicContact CD1-CD1 4.39Å; F569-L571 PolarHBondContact O-N 3.12Å
570	S	90.9	Very high	91.7	Very high	41 Å²	41	36.3 Å²	36.3	29%	0.287	18%	0.182	S	C	.	.			trans	-71.6	67.2	163.9	-168.8	0	0	0	0	110.2	L567 E568	L567-S570 VanDerWaalsContact O-CB 3.23Å; L567-S570 WeakPolarHBondContact O-CB 3.46Å; L567-S570 PolarHBondContact O-N 3.31Å; E568-S570 PolarHBondContact O-N 3.41Å; E568-S570 VanDerWaalsContact O-N 3.15Å
571	L	92.1	Very high	91.7	Very high	4 Å²	4	36.2 Å²	36.2	2%	0.021	18%	0.181	C	C	.	.			trans	-95.5	-7.1	-174.8	-58.9	-178.1	0	0	0	113.3	F15 H497 I526 L530 A564 L567 F569 P573	F15-L571 HydrophobicContact CE1-CD1 4.39Å; H497-L571 PolarHBondContact CE1-O 2.92Å; H497-L571 PolarHBondContact NE2-O 2.98Å; I526-L571 HydrophobicContact CG2-CD1 3.98Å; I526-L571 HydrophobicContact CG2-CD2 4.15Å; I526-L571 HydrophobicContact CG2-CG 4.46Å; L530-L571 HydrophobicContact CD1-CB 3.74Å; L530-L571 HydrophobicContact CD1-CD1 4.44Å; A564-L571 HydrophobicContact CB-CD1 4.28Å; A564-L571 HydrophobicContact CB-CD2 4.46Å; L567-L571 HydrophobicContact CB-CD2 4.12Å; L567-L571 HydrophobicContact CD1-CD2 3.8Å; F569-L571 HydrophobicContact CD1-CD1 4.39Å; F569-L571 PolarHBondContact O-N 3.12Å; L571-P573 VanDerWaalsContact C-CD 3.43Å; L571-P573 VanDerWaalsContact O-CD 3.24Å; L571-P573 WeakPolarHBondContact O-CD 3.31Å
572	I	91.2	Very high	91.8	Very high	39 Å²	39	36.4 Å²	36.4	20%	0.2	18%	0.182	C	C	.	.			trans	-117.5	82.4	179.6	-49.6	166	0	0	0	108	Y95 C98 N99 V102	Y95-I572 HydrophobicContact CD1-CG2 3.65Å; Y95-I572 HydrophobicContact CE1-CG2 3.73Å; C98-I572 HydrophobicContact CB-CD1 3.88Å; C98-I572 WeakPolarHBondContact SG-CD1 3.31Å; N99-I572 WeakPolarHBondContact OD1-CG2 3.22Å; V102-I572 HydrophobicContact CG2-CD1 4.11Å
573	P	89.4	Confident	91.7	Very high	3 Å²	3	40.1 Å²	40.1	2%	0.019	20%	0.198	C	C	.	.			trans	-53.8	148.2	164.3	-26.3	37	0	0	0	111.2	H497 V500 L501 L571 E577 I578	H497-P573 VanDerWaalsContact NE2-CD 3.35Å; H497-P573 WeakPolarHBondContact NE2-CD 3.5Å; V500-P573 HydrophobicContact CB-CB 4.47Å; V500-P573 HydrophobicContact CB-CG 4.11Å; V500-P573 HydrophobicContact CG1-CB 3.78Å; V500-P573 HydrophobicContact CG1-CG 3.55Å; L501-P573 HydrophobicContact CD2-CG 3.74Å; L571-P573 VanDerWaalsContact C-CD 3.43Å; L571-P573 VanDerWaalsContact O-CD 3.24Å; L571-P573 WeakPolarHBondContact O-CD 3.31Å; P573-E577 HydrophobicContact CB-CB 4.19Å; P573-E577 WeakPolarHBondContact CB-OE2 3.5Å; P573-I578 HydrophobicContact CB-CD1 4.11Å; P573-I578 HydrophobicContact CB-CG1 3.93Å
574	S	89.6	Confident	91.5	Very high	33 Å²	33	42.2 Å²	42.2	23%	0.231	21%	0.206	C	C	.	.			trans	-65.4	158.5	169.2	58.5	0	0	0	0	111.8	Y576 E577 I578	S574-Y576 VanDerWaalsContact CB-CE1 3.41Å; S574-Y576 PolarHBondContact O-N 2.99Å; S574-Y576 WeakPolarHBondContact OG-CD1 3.38Å; S574-Y576 WeakPolarHBondContact OG-CE1 3.21Å; S574-E577 PolarHBondContact O-N 3.39Å; S574-E577 WeakPolarHBondContact OG-CG 3.46Å; S574-I578 PolarHBondContact O-N 3.36Å
575	E	89.7	Confident	91.4	Very high	93 Å²	93	42.6 Å²	42.6	44%	0.435	21%	0.208	S	C	.	.	H	α-helix	trans	-60.9	-32.1	179.4	-59.8	-171.7	165.6	0	0	112.8	W493 E577 I578 L579	W493-E575 HydrophobicContact CH2-CB 4.43Å; W493-E575 HydrophobicContact CH2-CG 4.33Å; W493-E575 HydrophobicContact CZ2-CG 4.42Å; E575-E577 PolarHBondContact O-N 2.75Å; E575-I578 PolarHBondContact O-N 3.39Å; E575-L579 WeakPolarHBondContact O-CB 3.3Å; E575-L579 PolarHBondContact O-N 2.9Å
576	Y	90.1	Very high	91.3	Very high	148 Å²	148	40 Å²	40	58%	0.58	19%	0.193	S	C	*	.	H	α-helix	trans	-64.2	-25.5	177	73.4	-107.5	0	0	0	113	S574 P580	S574-Y576 VanDerWaalsContact CB-CE1 3.41Å; S574-Y576 PolarHBondContact O-N 2.99Å; S574-Y576 WeakPolarHBondContact OG-CD1 3.38Å; S574-Y576 WeakPolarHBondContact OG-CE1 3.21Å; Y576-P580 WeakPolarHBondContact O-CD 3.46Å
577	E	92.2	Very high	91.1	Very high	5 Å²	5	46.7 Å²	46.7	2%	0.023	22%	0.219	C	C	.	.	H	α-helix	trans	-81.8	-36.4	175.3	-64.7	-176.6	168.8	0	0	111.8	Y415 P417 V500 K504 P573 S574 E575 H581	Y415-E577 HydrophobicContact CD1-CB 3.88Å; Y415-E577 HydrophobicContact CD1-CG 3.8Å; Y415-E577 HydrophobicContact CE1-CB 4.24Å; P417-E577 WeakPolarHBondContact CG-O 3.18Å; V500-E577 HydrophobicContact CG1-CB 4.22Å; V500-E577 HydrophobicContact CG2-CB 4.44Å; V500-E577 WeakPolarHBondContact CG2-O 3.4Å; K504-E577 WeakPolarHBondContact CE-OE2 3.47Å; K504-E577 IonicContact NZ-OE1 2.66Å; K504-E577 PolarHBondContact NZ-OE1 3.27Å; K504-E577 IonicContact NZ-OE2 3.65Å; K504-E577 PolarHBondContact NZ-OE2 3.07Å; P573-E577 HydrophobicContact CB-CB 4.19Å; P573-E577 WeakPolarHBondContact CB-OE2 3.5Å; S574-E577 PolarHBondContact O-N 3.39Å; S574-E577 WeakPolarHBondContact OG-CG 3.46Å; E575-E577 PolarHBondContact O-N 2.75Å; E577-H581 PolarHBondContact O-CD2 3.05Å
578	I	93.8	Very high	90.7	Very high	0 Å²	0	49.9 Å²	49.9	0%	0	24%	0.242	C	C	.	.	H	α-helix	trans	-80.2	-43.3	-175.7	-58.7	172.1	0	0	0	111.5	Y95 W493 A496 H497 V500 P573 S574 E575 H581 Y582	Y95-I578 HydrophobicContact CE1-CD1 3.75Å; W493-I578 HydrophobicContact CD2-CG2 4.03Å; W493-I578 HydrophobicContact CE3-CG2 4.23Å; W493-I578 HydrophobicContact CH2-CB 4.29Å; W493-I578 HydrophobicContact CH2-CG2 4.04Å; W493-I578 HydrophobicContact CZ2-CB 4.13Å; W493-I578 HydrophobicContact CZ2-CD1 3.92Å; W493-I578 HydrophobicContact CZ2-CG2 3.81Å; W493-I578 HydrophobicContact CZ3-CG2 4.23Å; A496-I578 HydrophobicContact CB-CG2 3.69Å; H497-I578 HydrophobicContact CB-CD1 4.37Å; V500-I578 HydrophobicContact CG2-CG1 4.18Å; P573-I578 HydrophobicContact CB-CD1 4.11Å; P573-I578 HydrophobicContact CB-CG1 3.93Å; S574-I578 PolarHBondContact O-N 3.36Å; E575-I578 PolarHBondContact O-N 3.39Å; I578-H581 PolarHBondContact O-N 2.88Å; I578-Y582 PolarHBondContact O-N 3.42Å
579	L	92.2	Very high	90.5	Very high	59 Å²	59	45.8 Å²	45.8	31%	0.309	22%	0.224	S	C	.	.	H	α-helix	trans	-56.2	-41.9	-170.7	-178.5	65.1	0	0	0	113.8	E575 H581 Y582 Q583 L596	E575-L579 WeakPolarHBondContact O-CB 3.3Å; E575-L579 PolarHBondContact O-N 2.9Å; L579-H581 VanDerWaalsContact C-N 3.31Å; L579-H581 PolarHBondContact O-N 3.06Å; L579-Y582 HydrophobicContact CD1-CD1 4.4Å; L579-Y582 WeakPolarHBondContact O-CB 3.26Å; L579-Y582 PolarHBondContact O-N 3.43Å; L579-Q583 HydrophobicContact CD1-CG 4.22Å; L579-Q583 HydrophobicContact CG-CG 4.38Å; L579-Q583 WeakPolarHBondContact O-CB 3.5Å; L579-Q583 VanDerWaalsContact O-CG 3.31Å; L579-Q583 WeakPolarHBondContact O-CG 3.4Å; L579-Q583 PolarHBondContact O-N 2.78Å; L579-L596 HydrophobicContact CD1-CD1 4.39Å
580	P	91.6	Very high	90.1	Very high	19 Å²	19	48.8 Å²	48.8	12%	0.123	24%	0.244	C	C	.	.	H	α-helix	trans	-65.9	-29.5	177.4	-25.4	38.2	0	0	0	113.8	P417 F418 Y576 R584	P417-P580 HydrophobicContact CB-CB 3.87Å; P417-P580 HydrophobicContact CB-CG 4.07Å; P417-P580 HydrophobicContact CG-CB 4.35Å; P417-P580 HydrophobicContact CG-CG 4Å; F418-P580 HydrophobicContact CE2-CB 4.09Å; F418-P580 HydrophobicContact CE2-CG 4.35Å; F418-P580 HydrophobicContact CZ-CB 3.94Å; Y576-P580 WeakPolarHBondContact O-CD 3.46Å; P580-R584 WeakPolarHBondContact O-CG 3.25Å; P580-R584 PolarHBondContact O-N 2.87Å; P580-R584 PolarHBondContact O-NE 3.41Å
581	H	93.1	Very high	89.6	Confident	3 Å²	3	50.9 Å²	50.9	1%	0.014	25%	0.251	C	S	.	.	H	α-helix	trans	-74.4	-41.8	172.1	-66.1	-75.7	0	0	0	110.8	Y415 K478 A496 H499 E503 E577 I578 L579 Q583 R584 L585	Y415-H581 AromaticContact CZ-NE2 3.85Å; Y415-H581 PolarHBondContact OH-CE1 3.38Å; Y415-H581 PolarHBondContact OH-NE2 3.07Å; K478-H581 PolarHBondContact NZ-CE1 3Å; K478-H581 PolarHBondContact NZ-ND1 3.37Å; A496-H581 HydrophobicContact CB-CB 4.16Å; H499-H581 HydrophobicContact CB-CB 4.49Å; E503-H581 IonicContact OE1-CE1 3.76Å; E503-H581 PolarHBondContact OE1-CE1 2.85Å; E577-H581 PolarHBondContact O-CD2 3.05Å; I578-H581 PolarHBondContact O-N 2.88Å; L579-H581 VanDerWaalsContact C-N 3.31Å; L579-H581 PolarHBondContact O-N 3.06Å; H581-Q583 PolarHBondContact O-N 3.31Å; H581-R584 WeakPolarHBondContact O-CB 3.38Å; H581-R584 PolarHBondContact O-N 3.47Å; H581-L585 WeakPolarHBondContact O-CG 3.39Å; H581-L585 PolarHBondContact O-N 2.87Å
582	Y	93.3	Very high	88.7	Confident	7 Å²	7	57 Å²	57	3%	0.027	29%	0.289	C	S	.	.	H	α-helix	trans	-57	-48.1	175	-174.3	-101.2	0	0	0	111.7	L492 W493 A496 I578 L579 R584 L585 Y586 L593 P594	L492-Y582 HydrophobicContact CB-CD2 4.36Å; L492-Y582 HydrophobicContact CB-CE2 4.11Å; W493-Y582 HydrophobicContact CB-CD2 4.22Å; W493-Y582 HydrophobicContact CB-CE2 4.01Å; W493-Y582 AromaticContact CE3-CD2 3.87Å; W493-Y582 HydrophobicContact CE3-CD2 3.87Å; W493-Y582 HydrophobicContact CE3-CE2 4.08Å; W493-Y582 HydrophobicContact CE3-CG 4.11Å; A496-Y582 HydrophobicContact CB-CD2 4.32Å; I578-Y582 PolarHBondContact O-N 3.42Å; L579-Y582 HydrophobicContact CD1-CD1 4.4Å; L579-Y582 WeakPolarHBondContact O-CB 3.26Å; L579-Y582 PolarHBondContact O-N 3.43Å; Y582-R584 PolarHBondContact O-N 3.24Å; Y582-L585 WeakPolarHBondContact O-CB 3.35Å; Y582-L585 PolarHBondContact O-N 3.39Å; Y582-L585 VanDerWaalsContact O-N 3.13Å; Y582-Y586 HydrophobicContact CD1-CD2 4.23Å; Y582-Y586 HydrophobicContact CD1-CE2 4.26Å; Y582-Y586 HydrophobicContact CD2-CE2 4.16Å; Y582-Y586 HydrophobicContact CE1-CD2 4.01Å; Y582-Y586 AromaticContact CE1-CE2 3.66Å; Y582-Y586 HydrophobicContact CE1-CE2 3.66Å; Y582-Y586 HydrophobicContact CE2-CD2 4.33Å; Y582-Y586 AromaticContact CE2-CE2 3.58Å; Y582-Y586 HydrophobicContact CE2-CE2 3.58Å; Y582-Y586 HydrophobicContact CG-CD2 4.49Å; Y582-Y586 HydrophobicContact CG-CE2 4.49Å; Y582-Y586 AromaticContact CZ-CE2 3.3Å; Y582-Y586 AromaticContact CZ-CZ 3.93Å; Y582-Y586 WeakPolarHBondContact O-CD2 3.42Å; Y582-Y586 PolarHBondContact O-N 3.2Å; Y582-Y586 VanDerWaalsContact O-N 3.12Å; Y582-Y586 WeakPolarHBondContact OH-CE2 3.14Å; Y582-Y586 PolarHBondContact OH-OH 3.1Å; Y582-L593 HydrophobicContact CD1-CD2 3.9Å; Y582-L593 HydrophobicContact CE1-CD2 3.82Å; Y582-P594 HydrophobicContact CE1-CG 4.43Å; Y582-P594 WeakPolarHBondContact OH-CG 3.46Å
583	Q	91.1	Very high	87.8	Confident	89 Å²	89	58.7 Å²	58.7	42%	0.416	30%	0.298	S	S	.	.	H	α-helix	trans	-58.9	-42.9	174.1	-70.1	172.4	-14.2	0	0	112.7	L579 H581 L585 Y586 K587 L593	L579-Q583 HydrophobicContact CD1-CG 4.22Å; L579-Q583 HydrophobicContact CG-CG 4.38Å; L579-Q583 WeakPolarHBondContact O-CB 3.5Å; L579-Q583 VanDerWaalsContact O-CG 3.31Å; L579-Q583 WeakPolarHBondContact O-CG 3.4Å; L579-Q583 PolarHBondContact O-N 2.78Å; H581-Q583 PolarHBondContact O-N 3.31Å; Q583-L585 VanDerWaalsContact C-N 3.34Å; Q583-L585 PolarHBondContact O-N 3.09Å; Q583-Y586 PolarHBondContact O-N 3.35Å; Q583-K587 WeakPolarHBondContact O-CB 3.41Å; Q583-K587 PolarHBondContact O-N 2.71Å; Q583-L593 HydrophobicContact CB-CD1 4.41Å; Q583-L593 HydrophobicContact CG-CD1 4Å; Q583-L593 HydrophobicContact CG-CD2 4.4Å
584	R	89.8	Confident	86.7	Confident	45 Å²	45	60.3 Å²	60.3	17%	0.17	31%	0.308	C	S	.	.	H	α-helix	trans	-62.3	-38.7	174.1	-74.5	172.6	-140	171.9	11	112.3	P417 D421 P580 H581 Y582 K587 S588	P417-R584 VanDerWaalsContact C-NH2 3.32Å; P417-R584 PolarHBondContact O-NH1 3.06Å; P417-R584 PolarHBondContact O-NH2 2.96Å; D421-R584 PolarHBondContact O-NH1 2.83Å; P580-R584 WeakPolarHBondContact O-CG 3.25Å; P580-R584 PolarHBondContact O-N 2.87Å; P580-R584 PolarHBondContact O-NE 3.41Å; H581-R584 WeakPolarHBondContact O-CB 3.38Å; H581-R584 PolarHBondContact O-N 3.47Å; Y582-R584 PolarHBondContact O-N 3.24Å; R584-K587 PolarHBondContact O-N 3.06Å; R584-S588 VanDerWaalsContact O-CB 3.24Å; R584-S588 WeakPolarHBondContact O-CB 3.35Å; R584-S588 PolarHBondContact O-N 3.01Å; R584-S588 PolarHBondContact O-OG 3.46Å
585	L	92.3	Very high	84.9	Confident	8 Å²	8	68.9 Å²	68.9	4%	0.042	34%	0.342	C	S	.	.	H	α-helix	trans	-61.6	-51.8	177.7	-71.2	178.7	0	0	0	110.8	V482 L492 V495 A496 H581 Y582 Q583 K587 S588 L589	V482-L585 HydrophobicContact CG2-CD2 3.39Å; L492-L585 HydrophobicContact CB-CD1 4.43Å; L492-L585 WeakPolarHBondContact O-CD1 3.48Å; V495-L585 HydrophobicContact CB-CD1 3.88Å; V495-L585 HydrophobicContact CG1-CD1 3.93Å; A496-L585 HydrophobicContact CB-CD1 4.08Å; H581-L585 WeakPolarHBondContact O-CG 3.39Å; H581-L585 PolarHBondContact O-N 2.87Å; Y582-L585 WeakPolarHBondContact O-CB 3.35Å; Y582-L585 PolarHBondContact O-N 3.39Å; Y582-L585 VanDerWaalsContact O-N 3.13Å; Q583-L585 VanDerWaalsContact C-N 3.34Å; Q583-L585 PolarHBondContact O-N 3.09Å; L585-K587 PolarHBondContact O-N 3.3Å; L585-S588 PolarHBondContact O-N 3.15Å; L585-S588 VanDerWaalsContact O-N 3.13Å; L585-S588 PolarHBondContact O-OG 3.12Å; L585-L589 WeakPolarHBondContact O-CB 3.48Å; L585-L589 WeakPolarHBondContact O-CG 3.48Å; L585-L589 PolarHBondContact O-N 3.17Å
586	Y	89.3	Confident	82.9	Confident	24 Å²	24	68.6 Å²	68.6	9%	0.094	34%	0.343	C	S	.	.	H	α-helix	trans	-57.3	-48.8	176.2	-86.1	-100.1	0	0	0	112.4	L492 Y582 Q583 S588 L589 N590 L591 T592 L593 P594	L492-Y586 HydrophobicContact CB-CE2 3.93Å; L492-Y586 HydrophobicContact CD1-CD2 3.89Å; L492-Y586 HydrophobicContact CD1-CE1 4.43Å; L492-Y586 HydrophobicContact CD1-CE2 3.46Å; L492-Y586 VanDerWaalsContact CD1-CE2 3.46Å; L492-Y586 HydrophobicContact CG-CE2 4.32Å; Y582-Y586 HydrophobicContact CD1-CD2 4.23Å; Y582-Y586 HydrophobicContact CD1-CE2 4.26Å; Y582-Y586 HydrophobicContact CD2-CE2 4.16Å; Y582-Y586 HydrophobicContact CE1-CD2 4.01Å; Y582-Y586 AromaticContact CE1-CE2 3.66Å; Y582-Y586 HydrophobicContact CE1-CE2 3.66Å; Y582-Y586 HydrophobicContact CE2-CD2 4.33Å; Y582-Y586 AromaticContact CE2-CE2 3.58Å; Y582-Y586 HydrophobicContact CE2-CE2 3.58Å; Y582-Y586 HydrophobicContact CG-CD2 4.49Å; Y582-Y586 HydrophobicContact CG-CE2 4.49Å; Y582-Y586 AromaticContact CZ-CE2 3.3Å; Y582-Y586 AromaticContact CZ-CZ 3.93Å; Y582-Y586 WeakPolarHBondContact O-CD2 3.42Å; Y582-Y586 PolarHBondContact O-N 3.2Å; Y582-Y586 VanDerWaalsContact O-N 3.12Å; Y582-Y586 WeakPolarHBondContact OH-CE2 3.14Å; Y582-Y586 PolarHBondContact OH-OH 3.1Å; Q583-Y586 PolarHBondContact O-N 3.35Å; Y586-S588 VanDerWaalsContact C-N 3.29Å; Y586-S588 PolarHBondContact O-N 3.1Å; Y586-L589 PolarHBondContact O-N 2.97Å; Y586-N590 PolarHBondContact O-N 2.85Å; Y586-N590 VanDerWaalsContact O-N 3.11Å; Y586-L591 HydrophobicContact CD1-CB 3.43Å; Y586-L591 VanDerWaalsContact CD1-CB 3.43Å; Y586-L591 HydrophobicContact CD1-CD1 4.38Å; Y586-L591 HydrophobicContact CE1-CB 3.92Å; Y586-L591 HydrophobicContact CE1-CD1 4.35Å; Y586-L591 HydrophobicContact CG-CB 4.23Å; Y586-L591 PolarHBondContact O-N 2.83Å; Y586-T592 WeakPolarHBondContact CD1-O 3.44Å; Y586-T592 WeakPolarHBondContact CE1-O 3.46Å; Y586-L593 HydrophobicContact CD1-CD2 4.12Å; Y586-L593 HydrophobicContact CD1-CG 4.3Å; Y586-L593 HydrophobicContact CD2-CD2 3.75Å; Y586-L593 HydrophobicContact CE2-CD2 4.44Å; Y586-L593 HydrophobicContact CG-CD2 3.57Å; Y586-L593 HydrophobicContact CG-CG 4.01Å; Y586-P594 VanDerWaalsContact CE1-CD 3.46Å
587	K	86.9	Confident	80.3	Confident	151 Å²	151	66.9 Å²	66.9	66%	0.657	35%	0.349	S	S	*	.	H	α-helix	trans	-58.1	-38.4	175.3	-173.3	174.4	179.4	178.4	0	112.3	E424 Q583 R584 L585	E424-K587 IonicContact OE1-NZ 2.65Å; E424-K587 PolarHBondContact OE1-NZ 2.94Å; Q583-K587 WeakPolarHBondContact O-CB 3.41Å; Q583-K587 PolarHBondContact O-N 2.71Å; R584-K587 PolarHBondContact O-N 3.06Å; L585-K587 PolarHBondContact O-N 3.3Å
588	S	84.7	Confident	77.7	Confident	68 Å²	68	70.8 Å²	70.8	48%	0.476	38%	0.383	S	S	.	.	H	α-helix	trans	-75.3	-24.9	179.6	75.3	0	0	0	0	114.2	R584 L585 Y586	R584-S588 VanDerWaalsContact O-CB 3.24Å; R584-S588 WeakPolarHBondContact O-CB 3.35Å; R584-S588 PolarHBondContact O-N 3.01Å; R584-S588 PolarHBondContact O-OG 3.46Å; L585-S588 PolarHBondContact O-N 3.15Å; L585-S588 VanDerWaalsContact O-N 3.13Å; L585-S588 PolarHBondContact O-OG 3.12Å; Y586-S588 VanDerWaalsContact C-N 3.29Å; Y586-S588 PolarHBondContact O-N 3.1Å
589	L	86.5	Confident	74.6	Confident	42 Å²	42	76.7 Å²	76.7	22%	0.22	42%	0.418	C	S	.	.	H	α-helix	trans	-95.8	-0.7	179.8	-65.9	178.8	0	0	0	113	V482 Q486 L492 L585 Y586 L591	V482-L589 HydrophobicContact CG1-CD1 4.12Å; V482-L589 HydrophobicContact CG1-CD2 4.18Å; Q486-L589 VanDerWaalsContact NE2-CD2 3.3Å; L492-L589 HydrophobicContact CD1-CD1 3.87Å; L492-L589 HydrophobicContact CD2-CD1 3.74Å; L492-L589 HydrophobicContact CG-CD1 4.49Å; L585-L589 WeakPolarHBondContact O-CB 3.48Å; L585-L589 WeakPolarHBondContact O-CG 3.48Å; L585-L589 PolarHBondContact O-N 3.17Å; Y586-L589 PolarHBondContact O-N 2.97Å; L589-L591 HydrophobicContact CB-CD1 3.82Å; L589-L591 HydrophobicContact CB-CG 3.84Å; L589-L591 HydrophobicContact CD1-CD1 3.99Å; L589-L591 PolarHBondContact O-N 3.46Å
590	N	82.5	Confident	71.5	Confident	144 Å²	144	81 Å²	81	77%	0.77	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.5	35.9	-171.4	-49.8	-68.1	0	0	0	112.9	Y586	Y586-N590 PolarHBondContact O-N 2.85Å; Y586-N590 VanDerWaalsContact O-N 3.11Å
591	L	79.4	Confident	68.7	Low	85 Å²	85	85.4 Å²	85.4	45%	0.445	47%	0.468	S	S	.	.	P	Polyproline II helix	trans	-96	142.4	176	-64.4	173.1	0	0	0	110	L492 Y586 L589 L593	L492-L591 HydrophobicContact CD1-CD1 3.73Å; Y586-L591 HydrophobicContact CD1-CB 3.43Å; Y586-L591 VanDerWaalsContact CD1-CB 3.43Å; Y586-L591 HydrophobicContact CD1-CD1 4.38Å; Y586-L591 HydrophobicContact CE1-CB 3.92Å; Y586-L591 HydrophobicContact CE1-CD1 4.35Å; Y586-L591 HydrophobicContact CG-CB 4.23Å; Y586-L591 PolarHBondContact O-N 2.83Å; L589-L591 HydrophobicContact CB-CD1 3.82Å; L589-L591 HydrophobicContact CB-CG 3.84Å; L589-L591 HydrophobicContact CD1-CD1 3.99Å; L589-L591 PolarHBondContact O-N 3.46Å; L591-L593 PolarHBondContact O-N 3.43Å
592	T	73.6	Confident	65.6	Low	132 Å²	132	91.2 Å²	91.2	81%	0.81	50%	0.504	S	S	*	.	P	Polyproline II helix	trans	-68	128.7	166.1	43.4	0	0	0	0	109.2	Y586	Y586-T592 WeakPolarHBondContact CD1-O 3.44Å; Y586-T592 WeakPolarHBondContact CE1-O 3.46Å
593	L	72.8	Confident	62.8	Low	75 Å²	75	95.7 Å²	95.7	39%	0.393	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-59.8	133.5	171.4	-83.6	161.5	0	0	0	108.7	Y582 Q583 Y586 L591 F595	Y582-L593 HydrophobicContact CD1-CD2 3.9Å; Y582-L593 HydrophobicContact CE1-CD2 3.82Å; Q583-L593 HydrophobicContact CB-CD1 4.41Å; Q583-L593 HydrophobicContact CG-CD1 4Å; Q583-L593 HydrophobicContact CG-CD2 4.4Å; Y586-L593 HydrophobicContact CD1-CD2 4.12Å; Y586-L593 HydrophobicContact CD1-CG 4.3Å; Y586-L593 HydrophobicContact CD2-CD2 3.75Å; Y586-L593 HydrophobicContact CE2-CD2 4.44Å; Y586-L593 HydrophobicContact CG-CD2 3.57Å; Y586-L593 HydrophobicContact CG-CG 4.01Å; L591-L593 PolarHBondContact O-N 3.43Å; L593-F595 PolarHBondContact O-N 3.41Å
594	P	66.9	Low	59.8	Low	36 Å²	36	98.8 Å²	98.8	23%	0.234	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-59.8	133.9	168.1	27.2	-33.1	0	0	0	107.7	Y582 Y586 L596	Y582-P594 HydrophobicContact CE1-CG 4.43Å; Y582-P594 WeakPolarHBondContact OH-CG 3.46Å; Y586-P594 VanDerWaalsContact CE1-CD 3.46Å; P594-L596 VanDerWaalsContact C-N 3.33Å; P594-L596 PolarHBondContact O-N 3.34Å
595	F	50.1	Low	57	Low	214 Å²	214	102.3 Å²	102.3	94%	0.939	58%	0.582	S	S	*	*			trans	-62.9	98.1	171.5	-74.8	-86.3	0	0	0	108.3	L593	L593-F595 PolarHBondContact O-N 3.41Å
596	L	48.6	Very low	53.9	Low	87 Å²	87	109.8 Å²	109.8	46%	0.455	62%	0.62	S	S	.	*			trans	-66.8	125.7	163.2	-68.2	174.5	0	0	0	106.7	L579 P594 A598	L579-L596 HydrophobicContact CD1-CD1 4.39Å; P594-L596 VanDerWaalsContact C-N 3.33Å; P594-L596 PolarHBondContact O-N 3.34Å; L596-A598 PolarHBondContact O-N 3.26Å
597	P	35.3	Very low	50.9	Low	111 Å²	111	112.1 Å²	112.1	72%	0.721	65%	0.652	S	S	*	*			trans	-62.4	115.2	172.8	25.8	-31.9	0	0	0	107.8	V599	P597-V599 PolarHBondContact O-N 2.78Å
598	A	37.2	Very low	48.2	Very low	88 Å²	88	111.4 Å²	111.4	73%	0.727	66%	0.66	S	S	*	*			trans	-65.5	104.2	171.7	0	0	0	0	0	107.8	L596 L600	L596-A598 PolarHBondContact O-N 3.26Å; A598-L600 VanDerWaalsContact C-N 3.27Å; A598-L600 PolarHBondContact O-N 3.34Å
599	V	30.4	Very low	45.4	Very low	123 Å²	123	114.9 Å²	114.9	75%	0.745	67%	0.673	S	S	*	*			trans	-68.1	93.1	171	-178.3	0	0	0	0	107.1	P597 T601	P597-V599 PolarHBondContact O-N 2.78Å; V599-T601 HydrophobicContact CG1-CG2 4.17Å; V599-T601 PolarHBondContact O-N 3.4Å
600	L	27	Very low	42.6	Very low	151 Å²	151	118.4 Å²	118.4	79%	0.791	70%	0.7	S	S	*	*			trans	-66.4	86.9	168.2	-88.2	131.8	0	0	0	108.4	A598 T602	A598-L600 VanDerWaalsContact C-N 3.27Å; A598-L600 PolarHBondContact O-N 3.34Å; L600-T602 PolarHBondContact O-N 3.41Å
601	T	31.7	Very low	40	Very low	110 Å²	110	121.1 Å²	121.1	68%	0.675	70%	0.701	S	S	*	*			trans	-65.7	103.5	163.3	52.3	0	0	0	0	107.8	V599 S603	V599-T601 HydrophobicContact CG1-CG2 4.17Å; V599-T601 PolarHBondContact O-N 3.4Å; T601-S603 PolarHBondContact O-N 3.06Å
602	T	28.8	Very low	37.4	Very low	126 Å²	126	122.8 Å²	122.8	77%	0.773	71%	0.714	S	S	*	*			trans	-74.5	67.9	179.2	54.4	0	0	0	0	111.3	L600 N604	L600-T602 PolarHBondContact O-N 3.41Å; T602-N604 PolarHBondContact O-N 3.16Å
603	S	35	Very low	35.2	Very low	100 Å²	100	122.6 Å²	122.6	70%	0.699	71%	0.713	S	S	*	*			trans	-86	99.1	163.2	56.7	0	0	0	0	108.7	T601 T605	T601-S603 PolarHBondContact O-N 3.06Å; S603-T605 PolarHBondContact O-N 3.01Å
604	N	27.2	Very low	33.1	Very low	154 Å²	154	124 Å²	124	82%	0.824	72%	0.724	S	S	*	*			trans	-62.4	99.6	174.3	-73.8	-24.4	0	0	0	110.5	T602	T602-N604 PolarHBondContact O-N 3.16Å
605	T	30	Very low	31.2	Very low	119 Å²	119	128 Å²	128	73%	0.73	75%	0.753	S	S	*	*			trans	-176.7	113.1	142.5	17.3	0	0	0	0	112.2	S603	S603-T605 PolarHBondContact O-N 3.01Å
606	I	28.9	Very low	30.2	Very low	166 Å²	166	123.8 Å²	123.8	85%	0.851	75%	0.745	S	S	*	*			trans	51.5	97	140.8	-49.7	171.5	0	0	0	117.7
607	G	25.1	Very low	29.4	Very low	73 Å²	73	127 Å²	127	75%	0.753	76%	0.763	S	S	*	*			trans	84.2	80.3	132.1	0	0	0	0	0	119.5
608	V	30.8	Very low	29.3	Very low	136 Å²	136	129 Å²	129	82%	0.824	77%	0.766	S	S	*	*			trans	-147.3	137.3	155.1	-112.1	0	0	0	0	111.5	C610	V608-C610 PolarHBondContact O-N 3.3Å; V608-C610 VanDerWaalsContact O-N 3.12Å
609	N	26.5	Very low	28.9	Very low	140 Å²	140	131.1 Å²	131.1	75%	0.749	77%	0.765	S	S	*	*			trans	-70.7	100.6	-175.7	-74.6	-23.6	0	0	0	112.5	Y611	N609-Y611 HydrophobicContact CB-CE2 4.32Å; N609-Y611 PolarHBondContact O-N 3.04Å
610	C	26.3	Very low	29	Very low	117 Å²	117	132.8 Å²	132.8	79%	0.791	77%	0.77	S	S	*	*			trans	-83.5	107.3	167.9	-72.2	0	0	0	0	111	V608 V612	V608-C610 PolarHBondContact O-N 3.3Å; V608-C610 VanDerWaalsContact O-N 3.12Å; C610-V612 PolarHBondContact O-N 2.85Å; C610-V612 VanDerWaalsContact O-N 3.09Å
611	Y	27.8	Very low	29.1	Very low	200 Å²	200	131.7 Å²	131.7	78%	0.784	77%	0.765	S	S	*	*			trans	-74.8	95.2	173.5	-68.5	-82.3	0	0	0	111.3	N609 V613	N609-Y611 HydrophobicContact CB-CE2 4.32Å; N609-Y611 PolarHBondContact O-N 3.04Å; Y611-V613 PolarHBondContact O-N 3.12Å
612	V	26.1	Very low	29.3	Very low	120 Å²	120	134.2 Å²	134.2	73%	0.727	77%	0.772	S	S	*	*			trans	-76.4	107.2	168.7	-175	0	0	0	0	109	C610 T614	C610-V612 PolarHBondContact O-N 2.85Å; C610-V612 VanDerWaalsContact O-N 3.09Å; V612-T614 HydrophobicContact CG1-CG2 4.02Å; V612-T614 PolarHBondContact O-N 3.24Å
613	V	26.6	Very low	29.5	Very low	129 Å²	129	134.6 Å²	134.6	78%	0.782	77%	0.77	S	S	*	*			trans	-84.8	84.6	173	-176	0	0	0	0	109.2	Y611	Y611-V613 PolarHBondContact O-N 3.12Å
614	T	28.5	Very low	29.7	Very low	103 Å²	103	137.7 Å²	137.7	63%	0.632	78%	0.778	S	S	*	*			trans	-70.9	129.4	164.5	49.7	0	0	0	0	109.3	V612 T616	V612-T614 HydrophobicContact CG1-CG2 4.02Å; V612-T614 PolarHBondContact O-N 3.24Å; T614-T616 PolarHBondContact O-N 3.14Å
615	S	27.3	Very low	30.2	Very low	120 Å²	120	137 Å²	137	84%	0.839	77%	0.774	S	S	*	*			trans	-78.4	99.4	169.1	-64.3	0	0	0	0	107.9
616	T	30.4	Very low	30.5	Very low	127 Å²	127	137.3 Å²	137.3	78%	0.779	77%	0.772	S	S	*	*	P	Polyproline II helix	trans	-69.7	138.6	-179.5	41.2	0	0	0	0	111.7	T614	T614-T616 PolarHBondContact O-N 3.14Å
617	N	29.8	Very low	30.8	Very low	154 Å²	154	135.6 Å²	135.6	82%	0.824	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-74.5	159.3	-171.3	-155.1	-8.2	0	0	0	111.8
618	I	33.7	Very low	31.2	Very low	154 Å²	154	138.5 Å²	138.5	79%	0.79	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-74	135.4	-179.3	-67	172	0	0	0	109.8	N620	I618-N620 PolarHBondContact O-N 3.08Å
619	N	28.3	Very low	31.2	Very low	132 Å²	132	139.4 Å²	139.4	71%	0.706	76%	0.763	S	S	*	*	P	Polyproline II helix	trans	-51.9	130.7	177.3	-65.4	5.1	0	0	0	112.5
620	N	33.6	Very low	31.4	Very low	158 Å²	158	136 Å²	136	85%	0.845	76%	0.755	S	S	*	*			trans	-110.3	116	145.6	-78	-21	0	0	0	107.2	I618	I618-N620 PolarHBondContact O-N 3.08Å
621	N	29.1	Very low	31.7	Very low	128 Å²	128	137.4 Å²	137.4	68%	0.684	75%	0.754	S	S	*	*			trans	-74	128	167.8	-69.4	7.8	0	0	0	108.3
622	I	35.2	Very low	31.8	Very low	163 Å²	163	134.5 Å²	134.5	84%	0.836	75%	0.752	S	S	*	*			trans	-132	112.7	146.5	-63.3	-176.7	0	0	0	104.8
623	D	32.5	Very low	32.1	Very low	134 Å²	134	136.1 Å²	136.1	72%	0.717	76%	0.756	S	S	*	*			trans	-70.4	140.1	167.4	-56.2	-76.1	0	0	0	108.4
624	D	40	Very low	32.1	Very low	164 Å²	164	137.6 Å²	137.6	88%	0.877	76%	0.76	S	S	*	*			trans	-164.8	157.2	143	-104.4	-32.5	0	0	0	111.6
625	D	37.7	Very low	32.2	Very low	139 Å²	139	139.4 Å²	139.4	74%	0.743	77%	0.771	S	S	*	*			trans	-92.8	153.1	-150.2	-103	-45.1	0	0	0	116.8
626	N	35.9	Very low	32	Very low	126 Å²	126	141.3 Å²	141.3	67%	0.674	77%	0.772	S	S	*	*			trans	55.7	130.3	143.6	-70.4	-55.4	0	0	0	123.7
627	N	34.8	Very low	31.7	Very low	131 Å²	131	141.1 Å²	141.1	70%	0.701	78%	0.775	S	S	*	*			trans	79.1	119.4	136.7	-89.5	-20.1	0	0	0	122.3
628	N	34.3	Very low	31.5	Very low	134 Å²	134	139.6 Å²	139.6	72%	0.717	77%	0.771	S	S	*	*				70.3	100	128.2	-65.2	-21.5	0	0	0	120.9
629	N	31.1	Very low	31.1	Very low	155 Å²	155	137.9 Å²	137.9	83%	0.829	77%	0.767	S	S	*	*				90.8	136.8	109.1	-157.8	23.1	0	0	0	119
630	A	30.8	Very low	31.2	Very low	69 Å²	69	139.5 Å²	139.5	57%	0.57	78%	0.776	S	S	*	*			trans	69.4	121.3	157.2	0	0	0	0	0	121.3
631	N	31.5	Very low	30.8	Very low	146 Å²	146	141.7 Å²	141.7	78%	0.781	77%	0.773	S	S	*	*			trans	71	115.5	138.4	-65.3	-13	0	0	0	121.5
632	N	30.1	Very low	30.7	Very low	138 Å²	138	145.2 Å²	145.2	74%	0.738	79%	0.785	S	S	*	*				20.1	115.1	125.3	-62.2	-3	0	0	0	117.4
633	N	31.9	Very low	30.3	Very low	154 Å²	154	143.9 Å²	143.9	82%	0.824	78%	0.779	S	S	*	*				-172.9	154.5	99.8	-90.2	-32.5	0	0	0	112.7
634	N	27.7	Very low	30	Very low	160 Å²	160	146.4 Å²	146.4	86%	0.856	79%	0.787	S	S	*	*			trans	-56.3	132.3	-178.7	-57.4	-31.9	0	0	0	113
635	T	29.4	Very low	29.3	Very low	141 Å²	141	144.2 Å²	144.2	87%	0.865	78%	0.781	S	S	*	*			trans	-152.1	143.5	147.7	24.9	0	0	0	0	110.6
636	N	24.3	Very low	28.7	Very low	161 Å²	161	143.3 Å²	143.3	86%	0.861	79%	0.785	S	S	*	*			trans	-76	144.8	-177.9	-61.9	-45.2	0	0	0	111.8
637	C	24.6	Very low	28.2	Very low	123 Å²	123	143.6 Å²	143.6	83%	0.831	79%	0.786	S	S	*	*			trans	-163.8	95.6	146.1	-106.8	0	0	0	0	113.2
638	T	24.9	Very low	27.7	Very low	121 Å²	121	143.3 Å²	143.3	74%	0.742	79%	0.789	S	S	*	*			trans	29	119.4	139.6	52.1	0	0	0	0	123.1
639	V	26	Very low	27.2	Very low	119 Å²	119	146.3 Å²	146.3	72%	0.721	79%	0.791	S	S	*	*				64.1	109.1	127.9	-172.9	0	0	0	0	119.5
640	N	28.9	Very low	26.9	Very low	166 Å²	166	144.9 Å²	144.9	89%	0.888	79%	0.788	S	S	*	*				-153	157.6	113.9	-105.1	-34.6	0	0	0	112
641	R	25.2	Very low	26.7	Very low	204 Å²	204	146.1 Å²	146.1	77%	0.77	80%	0.798	S	S	*	*			trans	-137.2	114.1	-145.2	174.3	-161.6	-168.3	-176.3	6.3	112.3
642	E	28.5	Very low	26.3	Very low	201 Å²	201	144.4 Å²	144.4	94%	0.939	80%	0.798	S	S	*	*			trans	-138.4	123.6	154.7	-79.3	-163.8	156.7	0	0	110.8
643	N	26	Very low	26.2	Very low	135 Å²	135	142.8 Å²	142.8	72%	0.722	80%	0.797	S	S	*	*			trans	-93	136.5	-174.8	-70.5	-11.8	0	0	0	111.2
644	Q	27.3	Very low	25.9	Very low	187 Å²	187	143 Å²	143	87%	0.874	80%	0.799	S	S	*	*			trans	-131	136.4	144.9	-77.9	-150.8	3.8	0	0	110.6
645	P	25	Very low	25.9	Very low	118 Å²	118	141.9 Å²	141.9	77%	0.766	79%	0.791	S	S	*	*			trans	-84.4	123.5	-174.8	32.4	-33.1	0	0	0	111.9	L647	P645-L647 PolarHBondContact O-N 3.43Å
646	C	25	Very low	25.7	Very low	121 Å²	121	146 Å²	146	82%	0.818	79%	0.792	S	S	*	*			trans	-77.3	101	164.9	-68	0	0	0	0	109.6	V648	C646-V648 PolarHBondContact O-N 2.91Å; C646-V648 VanDerWaalsContact O-N 3.12Å
647	L	24.9	Very low	25.8	Very low	132 Å²	132	142.8 Å²	142.8	69%	0.691	78%	0.783	S	S	*	*			trans	-71.9	100	171	-83.9	167	0	0	0	110.4	P645 Y649	P645-L647 PolarHBondContact O-N 3.43Å; L647-Y649 HydrophobicContact CB-CD2 4.35Å; L647-Y649 HydrophobicContact CB-CE2 4.21Å; L647-Y649 HydrophobicContact CD1-CE2 4.3Å; L647-Y649 HydrophobicContact CD2-CE2 3.99Å; L647-Y649 HydrophobicContact CG-CE2 4.41Å
648	V	24.2	Very low	26	Very low	125 Å²	125	142.4 Å²	142.4	76%	0.758	78%	0.778	S	S	*	*			trans	-90.2	104.3	168.4	-178.8	0	0	0	0	108.5	C646	C646-V648 PolarHBondContact O-N 2.91Å; C646-V648 VanDerWaalsContact O-N 3.12Å
649	Y	25.1	Very low	26.1	Very low	197 Å²	197	145.3 Å²	145.3	77%	0.773	78%	0.784	S	S	*	*			trans	-92.2	114.8	170	-83.3	-80.6	0	0	0	110.5	L647 A651	L647-Y649 HydrophobicContact CB-CD2 4.35Å; L647-Y649 HydrophobicContact CB-CE2 4.21Å; L647-Y649 HydrophobicContact CD1-CE2 4.3Å; L647-Y649 HydrophobicContact CD2-CE2 3.99Å; L647-Y649 HydrophobicContact CG-CE2 4.41Å; Y649-A651 PolarHBondContact O-N 3.2Å
650	T	22.8	Very low	26.3	Very low	124 Å²	124	147.9 Å²	147.9	76%	0.761	79%	0.793	S	S	*	*			trans	-81.6	108.5	167.2	43.4	0	0	0	0	109.6
651	A	27.1	Very low	26.1	Very low	95 Å²	95	146.3 Å²	146.3	79%	0.785	78%	0.784	S	S	*	*			trans	-90.5	104.1	172.3	0	0	0	0	0	109.9	Y649 S653	Y649-A651 PolarHBondContact O-N 3.2Å; A651-S653 PolarHBondContact O-N 3.11Å
652	S	23.1	Very low	26.4	Very low	110 Å²	110	144.9 Å²	144.9	77%	0.769	79%	0.786	S	S	*	*			trans	-73.9	106.2	176	-58.2	0	0	0	0	111.1	N654	S652-N654 PolarHBondContact O-N 3.05Å
653	S	29.1	Very low	26.3	Very low	104 Å²	104	140 Å²	140	73%	0.727	77%	0.774	S	S	*	*			trans	-73.7	104.9	174	-55	0	0	0	0	111.1	A651 I655	A651-S653 PolarHBondContact O-N 3.11Å; S653-I655 PolarHBondContact O-N 2.77Å
654	N	24.6	Very low	26.5	Very low	160 Å²	160	139.9 Å²	139.9	86%	0.856	78%	0.778	S	S	*	*			trans	-69.1	92.6	167.5	-84.4	-17.8	0	0	0	110.1	S652	S652-N654 PolarHBondContact O-N 3.05Å
655	I	28.7	Very low	26.6	Very low	136 Å²	136	136.2 Å²	136.2	70%	0.697	77%	0.768	S	S	*	*			trans	-89	105.4	168.1	-61.1	177.7	0	0	0	108.1	S653 S657	S653-I655 PolarHBondContact O-N 2.77Å; I655-S657 PolarHBondContact O-N 2.82Å
656	Y	24.1	Very low	26.7	Very low	226 Å²	226	137.5 Å²	137.5	89%	0.886	77%	0.769	S	S	*	*			trans	-75.6	111.3	164.7	-118.5	-93.4	0	0	0	108.6
657	S	27.4	Very low	27	Very low	95 Å²	95	140 Å²	140	66%	0.664	77%	0.773	S	S	*	*			trans	-131.9	113	168.7	-70.5	0	0	0	0	108.5	I655	I655-S657 PolarHBondContact O-N 2.82Å
658	P	28.1	Very low	27.2	Very low	114 Å²	114	138.8 Å²	138.8	74%	0.74	77%	0.773	S	S	*	*			trans	-78.1	131.3	179.1	30.9	-32.2	0	0	0	110.9
659	Q	26.8	Very low	27.3	Very low	183 Å²	183	141 Å²	141	86%	0.855	78%	0.78	S	S	*	*			trans	56.2	108.2	157.3	-55	-172.1	9.7	0	0	118.3
660	L	30.1	Very low	27.4	Very low	173 Å²	173	138.9 Å²	138.9	91%	0.906	78%	0.782	S	S	*	*				-155.4	132.5	118.4	-110.8	155.8	0	0	0	110.4
661	N	25.9	Very low	27.7	Very low	133 Å²	133	140.7 Å²	140.7	71%	0.711	79%	0.786	S	S	*	*			trans	-71.8	139.6	179.8	-61.6	-45.7	0	0	0	110.2
662	H	31.2	Very low	27.7	Very low	173 Å²	173	142.3 Å²	142.3	80%	0.801	79%	0.79	S	S	*	*				170.6	127.2	108.4	-90.3	-72	0	0	0	111.9
663	S	26.5	Very low	28.1	Very low	99 Å²	99	144.6 Å²	144.6	69%	0.692	79%	0.794	S	S	*	*			trans	7.2	127.9	152.4	52.9	0	0	0	0	120.1
664	V	30.2	Very low	27.9	Very low	133 Å²	133	149.4 Å²	149.4	81%	0.806	80%	0.796	S	S	*	*				-169	106.5	107.7	148.5	0	0	0	0	111.2
665	T	28	Very low	28	Very low	109 Å²	109	148.3 Å²	148.3	67%	0.669	80%	0.795	S	S	*	*			trans	9.1	135.6	149.8	52.5	0	0	0	0	124
666	N	28.3	Very low	27.8	Very low	145 Å²	145	148.2 Å²	148.2	78%	0.775	79%	0.792	S	S	*	*			trans	76.7	109.2	133.9	-60.6	-12.3	0	0	0	121.8
667	L	30.1	Very low	28.1	Very low	173 Å²	173	149 Å²	149	91%	0.906	81%	0.808	S	S	*	*				-169.2	146.9	106.2	-98.6	143.2	0	0	0	110.4
668	P	30.5	Very low	28.2	Very low	108 Å²	108	151.7 Å²	151.7	70%	0.701	82%	0.816	S	S	*	*			trans	-101.2	154.5	-161.6	37.2	-31.6	0	0	0	115.5
669	L	25.7	Very low	28.2	Very low	171 Å²	171	153.7 Å²	153.7	90%	0.895	82%	0.82	S	S	*	*			trans	-63.6	131.5	166.9	-74.4	152.6	0	0	0	111.4
670	N	28.2	Very low	28.3	Very low	152 Å²	152	152.1 Å²	152.1	81%	0.813	82%	0.818	S	S	*	*			trans	-161.3	90.9	159.9	-105	-28	0	0	0	111.7
671	L	28.9	Very low	28.2	Very low	163 Å²	163	150.8 Å²	150.8	85%	0.853	81%	0.812	S	S	*	*				-179.7	88.5	129.8	-120.4	68.7	0	0	0	109.8
672	C	25.9	Very low	28.3	Very low	129 Å²	129	151.9 Å²	151.9	87%	0.872	82%	0.819	S	S	*	*			trans	-101.3	112	159.2	-86.4	0	0	0	0	108
673	N	32.1	Very low	28.1	Very low	158 Å²	158	150.5 Å²	150.5	85%	0.845	82%	0.82	S	S	*	*			trans	-103.5	103.8	160.4	-92.1	-7.2	0	0	0	109.1
674	R	24.4	Very low	28.2	Very low	205 Å²	205	154.2 Å²	154.2	77%	0.774	83%	0.829	S	S	*	*			trans	-73.3	128.7	172	169.5	-176.9	173.8	179.3	-1.5	109	E676	R674-E676 HydrophobicContact CG-CG 4.48Å; R674-E676 IonicContact CZ-OE1 2.63Å; R674-E676 IonicContact NE-OE1 3.42Å; R674-E676 PolarHBondContact NE-OE1 3.05Å; R674-E676 IonicContact NH2-OE1 3.99Å; R674-E676 PolarHBondContact NH2-OE1 3.39Å
675	V	28	Very low	28.1	Very low	137 Å²	137	155.8 Å²	155.8	83%	0.83	83%	0.831	S	S	*	*			trans	-133.4	128.7	159.6	-179.4	0	0	0	0	107.6
676	E	23	Very low	28.1	Very low	134 Å²	134	159.8 Å²	159.8	63%	0.626	84%	0.844	S	S	*	*			trans	-92.5	130.2	-178.1	-66.1	163.6	169.4	0	0	110.2	R674	R674-E676 HydrophobicContact CG-CG 4.48Å; R674-E676 IonicContact CZ-OE1 2.63Å; R674-E676 IonicContact NE-OE1 3.42Å; R674-E676 PolarHBondContact NE-OE1 3.05Å; R674-E676 IonicContact NH2-OE1 3.99Å; R674-E676 PolarHBondContact NH2-OE1 3.39Å
677	I	31.9	Very low	28.1	Very low	242 Å²	242	161.1 Å²	161.1	100%	1.241	85%	0.851	S	S	*	*			trans	-145.8	0	144	-53.3	-174.9	0	0	0	107.1

Retrieved 677 of 677 residues in 485.6 ms (Link to these results)

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