A0A061IPR5_CRIGR Loading...

UDP-glucuronosyltransferase

AlphaFold DB , UniProt , Accession A0A061IPR5, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene LOC100762673, Length 534 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	52.2	Low	71.4	Confident	251 Å²	251	128.6 Å²	128.6	100%	1.236	67%	0.666	S	S	*	*				0	62.8	0	-75	178.1	-115.1	0	0	110.9
2	A	53.2	Low	71.7	Confident	82 Å²	82	122.1 Å²	122.1	68%	0.678	65%	0.645	S	S	*	*			trans	-142.5	44	178.3	0	0	0	0	0	110.7
3	S	65.9	Low	71.8	Confident	86 Å²	86	119.5 Å²	119.5	60%	0.601	64%	0.637	S	S	*	*	S	Bend	trans	-121.4	-42	-171.9	166.7	0	0	0	0	112.4	V7	S3-V7 VanDerWaalsContact O-CG2 3.3Å; S3-V7 WeakPolarHBondContact O-CG2 3.16Å; S3-V7 PolarHBondContact O-N 2.95Å
4	E	67.7	Low	71.4	Confident	164 Å²	164	118.9 Å²	118.9	77%	0.766	63%	0.628	S	S	*	*	H	α-helix	trans	-74.6	-38.6	-177.6	-71.2	175.8	152.6	0	0	114	W6 V7 M8	E4-W6 VanDerWaalsContact C-N 3.31Å; E4-W6 PolarHBondContact O-N 2.85Å; E4-V7 PolarHBondContact O-N 3.18Å; E4-M8 WeakPolarHBondContact O-CG 3.5Å; E4-M8 PolarHBondContact O-N 3.03Å
5	K	73.1	Confident	70.9	Confident	185 Å²	185	119.3 Å²	119.3	80%	0.804	63%	0.63	S	S	*	*	H	α-helix	trans	-64.9	-34.9	-178.1	-68.3	-173.6	178.2	-177.5	0	112.8	A9	K5-A9 WeakPolarHBondContact O-CB 3.12Å; K5-A9 PolarHBondContact O-N 3.19Å
6	W	78.3	Confident	70.1	Confident	184 Å²	184	118.8 Å²	118.8	70%	0.697	64%	0.638	S	S	*	*	H	α-helix	trans	-73.9	-38.8	176.9	-76.7	106.6	0	0	0	111.9	E4 A9 V10	E4-W6 VanDerWaalsContact C-N 3.31Å; E4-W6 PolarHBondContact O-N 2.85Å; W6-A9 PolarHBondContact O-N 3.17Å; W6-V10 WeakPolarHBondContact O-CB 3.45Å; W6-V10 VanDerWaalsContact O-CG2 3.28Å; W6-V10 WeakPolarHBondContact O-CG2 3.25Å; W6-V10 PolarHBondContact O-N 3.22Å
7	V	79.6	Confident	69.2	Low	81 Å²	81	117.8 Å²	117.8	49%	0.491	64%	0.641	S	S	.	*	H	α-helix	trans	-62.7	-44.4	174.6	173.3	0	0	0	0	110.7	S3 E4 V10 F11	S3-V7 VanDerWaalsContact O-CG2 3.3Å; S3-V7 WeakPolarHBondContact O-CG2 3.16Å; S3-V7 PolarHBondContact O-N 2.95Å; E4-V7 PolarHBondContact O-N 3.18Å; V7-V10 PolarHBondContact O-N 3.31Å; V7-F11 WeakPolarHBondContact O-CB 3.42Å; V7-F11 PolarHBondContact O-N 3.46Å
8	M	76.4	Confident	68.2	Low	135 Å²	135	116.8 Å²	116.8	67%	0.665	64%	0.639	S	S	*	*	H	α-helix	trans	-65.8	-37.5	176.5	-68.3	-62.2	-71.7	0	0	112.7	E4 F11 A12	E4-M8 WeakPolarHBondContact O-CG 3.5Å; E4-M8 PolarHBondContact O-N 3.03Å; M8-F11 PolarHBondContact O-N 3.44Å; M8-A12 VanDerWaalsContact O-CB 3.29Å; M8-A12 WeakPolarHBondContact O-CB 3.49Å; M8-A12 PolarHBondContact O-N 3.32Å
9	A	81.8	Confident	67.2	Low	45 Å²	45	113.7 Å²	113.7	37%	0.372	64%	0.637	S	S	.	*	H	α-helix	trans	-67.2	-40.8	175.4	0	0	0	0	0	112	K5 W6 A12 V13	K5-A9 WeakPolarHBondContact O-CB 3.12Å; K5-A9 PolarHBondContact O-N 3.19Å; W6-A9 PolarHBondContact O-N 3.17Å; A9-A12 PolarHBondContact O-N 3.17Å; A9-V13 WeakPolarHBondContact O-CB 3.36Å; A9-V13 VanDerWaalsContact O-CG2 3.24Å; A9-V13 WeakPolarHBondContact O-CG2 3.37Å; A9-V13 PolarHBondContact O-N 3.39Å
10	V	81.2	Confident	66.3	Low	80 Å²	80	119.5 Å²	119.5	49%	0.485	65%	0.65	S	S	.	*	H	α-helix	trans	-66.2	-40.7	174.9	171.7	0	0	0	0	110.9	W6 V7 V13 Q14	W6-V10 WeakPolarHBondContact O-CB 3.45Å; W6-V10 VanDerWaalsContact O-CG2 3.28Å; W6-V10 WeakPolarHBondContact O-CG2 3.25Å; W6-V10 PolarHBondContact O-N 3.22Å; V7-V10 PolarHBondContact O-N 3.31Å; V10-V13 PolarHBondContact O-N 2.86Å; V10-Q14 WeakPolarHBondContact O-CB 3.25Å; V10-Q14 WeakPolarHBondContact O-CG 3.37Å; V10-Q14 PolarHBondContact O-N 3.1Å
11	F	76.3	Confident	65.8	Low	122 Å²	122	116.4 Å²	116.4	54%	0.535	65%	0.646	S	S	.	*	H	α-helix	trans	-63.9	-41.8	174.5	-117.9	-88.4	0	0	0	112.2	V7 M8 Q14 L15	V7-F11 WeakPolarHBondContact O-CB 3.42Å; V7-F11 PolarHBondContact O-N 3.46Å; M8-F11 PolarHBondContact O-N 3.44Å; F11-Q14 PolarHBondContact O-N 3.1Å; F11-L15 HydrophobicContact CD1-CD1 4.28Å; F11-L15 WeakPolarHBondContact O-CB 3.42Å; F11-L15 PolarHBondContact O-N 3.46Å
12	A	74.6	Confident	66.4	Low	50 Å²	50	108.4 Å²	108.4	41%	0.413	61%	0.608	S	S	.	*	H	α-helix	trans	-66.5	-42.3	176.8	0	0	0	0	0	111.7	M8 A9 L15 C16	M8-A12 VanDerWaalsContact O-CB 3.29Å; M8-A12 WeakPolarHBondContact O-CB 3.49Å; M8-A12 PolarHBondContact O-N 3.32Å; A9-A12 PolarHBondContact O-N 3.17Å; A12-L15 PolarHBondContact O-N 2.87Å; A12-C16 WeakPolarHBondContact O-CB 3.41Å; A12-C16 PolarHBondContact O-N 3.44Å; A12-C16 PolarHBondContact O-SG 3.34Å
13	V	73.6	Confident	67.9	Low	89 Å²	89	109.1 Å²	109.1	54%	0.539	61%	0.607	S	S	.	*	H	α-helix	trans	-65	-40.7	174.1	171.1	0	0	0	0	110.6	A9 V10 C16 C17	A9-V13 WeakPolarHBondContact O-CB 3.36Å; A9-V13 VanDerWaalsContact O-CG2 3.24Å; A9-V13 WeakPolarHBondContact O-CG2 3.37Å; A9-V13 PolarHBondContact O-N 3.39Å; V10-V13 PolarHBondContact O-N 2.86Å; V13-C16 CarbonylContact O-C 3.42Å; V13-C16 PolarHBondContact O-N 3.15Å; V13-C17 VanDerWaalsContact O-CB 3.27Å; V13-C17 WeakPolarHBondContact O-CB 3.38Å; V13-C17 PolarHBondContact O-N 2.95Å; V13-C17 PolarHBondContact O-SG 3.29Å
14	Q	65.8	Low	69.2	Low	110 Å²	110	105.2 Å²	105.2	51%	0.514	58%	0.58	S	S	.	*	H	α-helix	trans	-62	-45.4	173	-80.4	-176.8	-23.3	0	0	111.4	V10 F11 C16 C17 V18	V10-Q14 WeakPolarHBondContact O-CB 3.25Å; V10-Q14 WeakPolarHBondContact O-CG 3.37Å; V10-Q14 PolarHBondContact O-N 3.1Å; F11-Q14 PolarHBondContact O-N 3.1Å; Q14-C16 VanDerWaalsContact C-N 3.28Å; Q14-C16 PolarHBondContact O-N 3.36Å; Q14-C17 CarbonylContact O-C 3.54Å; Q14-C17 PolarHBondContact O-N 3.36Å; Q14-C17 VanDerWaalsContact O-N 3.07Å; Q14-V18 WeakPolarHBondContact O-CG2 3.45Å; Q14-V18 PolarHBondContact O-N 2.9Å
15	L	63.3	Low	70.6	Confident	125 Å²	125	100.7 Å²	100.7	65%	0.654	56%	0.558	S	S	*	*	H	α-helix	trans	-62.1	-31.8	174.2	-88.7	151.8	0	0	0	113.2	F11 A12	F11-L15 HydrophobicContact CD1-CD1 4.28Å; F11-L15 WeakPolarHBondContact O-CB 3.42Å; F11-L15 PolarHBondContact O-N 3.46Å; A12-L15 PolarHBondContact O-N 2.87Å
16	C	59	Low	71.8	Confident	112 Å²	112	91.9 Å²	91.9	76%	0.757	52%	0.519	S	S	*	.	H	α-helix	trans	-78.8	-24.2	172.7	-67.7	0	0	0	0	113.2	A12 V13 Q14	A12-C16 WeakPolarHBondContact O-CB 3.41Å; A12-C16 PolarHBondContact O-N 3.44Å; A12-C16 PolarHBondContact O-SG 3.34Å; V13-C16 CarbonylContact O-C 3.42Å; V13-C16 PolarHBondContact O-N 3.15Å; Q14-C16 VanDerWaalsContact C-N 3.28Å; Q14-C16 PolarHBondContact O-N 3.36Å
17	C	55	Low	72.7	Confident	101 Å²	101	83.1 Å²	83.1	68%	0.682	49%	0.486	S	S	*	.	H	α-helix	trans	-92.5	-17.4	177.3	-69.4	0	0	0	0	113.4	V13 Q14 G19	V13-C17 VanDerWaalsContact O-CB 3.27Å; V13-C17 WeakPolarHBondContact O-CB 3.38Å; V13-C17 PolarHBondContact O-N 2.95Å; V13-C17 PolarHBondContact O-SG 3.29Å; Q14-C17 CarbonylContact O-C 3.54Å; Q14-C17 PolarHBondContact O-N 3.36Å; Q14-C17 VanDerWaalsContact O-N 3.07Å; C17-G19 VanDerWaalsContact C-N 3.3Å; C17-G19 PolarHBondContact O-N 3.39Å
18	V	51.1	Low	73.5	Confident	101 Å²	101	79.2 Å²	79.2	61%	0.612	46%	0.463	S	S	*	.	S	Bend	trans	-73.6	94.1	163.5	-168.7	0	0	0	0	105	Q14 Y20	Q14-V18 WeakPolarHBondContact O-CG2 3.45Å; Q14-V18 PolarHBondContact O-N 2.9Å; V18-Y20 PolarHBondContact O-N 3.18Å
19	G	48.6	Very low	74.5	Confident	58 Å²	58	73 Å²	73	60%	0.598	43%	0.432	S	S	*	.			trans	-46.7	136.9	169.6	0	0	0	0	0	108.5	C17 G21	C17-G19 VanDerWaalsContact C-N 3.3Å; C17-G19 PolarHBondContact O-N 3.39Å; G19-G21 PolarHBondContact O-N 3.33Å
20	Y	50.3	Low	75	Confident	228 Å²	228	70.9 Å²	70.9	89%	0.894	41%	0.414	S	S	*	.			trans	-54.1	89.9	177.9	-71.9	-89.7	0	0	0	109.4	V18 L22	V18-Y20 PolarHBondContact O-N 3.18Å; Y20-L22 VanDerWaalsContact C-N 3.29Å; Y20-L22 PolarHBondContact O-N 3.37Å
21	G	55	Low	75.3	Confident	56 Å²	56	67.7 Å²	67.7	58%	0.577	40%	0.396	S	S	*	.			trans	-68.3	96.2	166.2	0	0	0	0	0	105.2	G19 C23	G19-G21 PolarHBondContact O-N 3.33Å; G21-C23 VanDerWaalsContact C-N 3.26Å; G21-C23 PolarHBondContact O-N 2.93Å
22	L	64.1	Low	75.5	Confident	82 Å²	82	62.4 Å²	62.4	43%	0.429	37%	0.373	S	S	.	.			trans	-68.7	93.3	170.3	-91	108.5	0	0	0	107.4	Y20 G24 H51 R469	Y20-L22 VanDerWaalsContact C-N 3.29Å; Y20-L22 PolarHBondContact O-N 3.37Å; L22-G24 VanDerWaalsContact C-N 3.3Å; L22-G24 PolarHBondContact O-N 3.3Å; L22-H51 PolarHBondContact O-CE1 3.43Å; L22-H51 PolarHBondContact O-ND1 3.07Å; L22-R469 HydrophobicContact CD1-CG 3.8Å; L22-R469 HydrophobicContact CD2-CG 3.97Å; L22-R469 HydrophobicContact CG-CG 4.39Å
23	C	84.4	Confident	75.9	Confident	98 Å²	98	60.9 Å²	60.9	66%	0.662	36%	0.357	S	S	*	.			trans	-71.8	89.4	168	-57	0	0	0	0	108.4	G21 G50	G21-C23 VanDerWaalsContact C-N 3.26Å; G21-C23 PolarHBondContact O-N 2.93Å; C23-G50 WeakPolarHBondContact CB-O 3.25Å
24	G	93.8	Very high	76.2	Confident	3 Å²	3	58.2 Å²	58.2	3%	0.031	34%	0.343	C	S	.	.			trans	-95.9	160.1	174.2	0	0	0	0	0	113.7	L22 H51 E52 D146 M468	L22-G24 VanDerWaalsContact C-N 3.3Å; L22-G24 PolarHBondContact O-N 3.3Å; G24-H51 PolarHBondContact N-ND1 3.25Å; G24-H51 WeakPolarHBondContact O-CA 3.45Å; G24-H51 WeakPolarHBondContact O-CB 3.02Å; G24-H51 PolarHBondContact O-ND1 3.5Å; G24-E52 PolarHBondContact O-N 2.97Å; G24-E52 VanDerWaalsContact O-N 3.08Å; G24-D146 VanDerWaalsContact CA-OD2 3.31Å; G24-D146 WeakPolarHBondContact CA-OD2 3.3Å; G24-M468 VanDerWaalsContact CA-SD 3.56Å
25	K	96.9	Very high	77.4	Confident	69 Å²	69	55 Å²	55	30%	0.3	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	122.9	177.9	-61.9	-172.8	-178.4	-173.1	0	110.7	E52 T143 Y145 D146	K25-E52 CarbonylContact C-O 3.5Å; K25-E52 WeakPolarHBondContact CA-O 3.47Å; K25-E52 WeakPolarHBondContact CE-OE2 3.2Å; K25-E52 HydrophobicContact CG-CB 4.27Å; K25-T143 HydrophobicContact CD-CG2 4.01Å; K25-T143 WeakPolarHBondContact CD-O 3.28Å; K25-T143 PolarHBondContact NZ-O 3.17Å; K25-Y145 HydrophobicContact CB-CD1 3.82Å; K25-Y145 HydrophobicContact CB-CE1 4.47Å; K25-D146 PolarHBondContact N-OD2 3.11Å; K25-D146 PolarHBondContact O-N 3.34Å
26	V	98.2	Very high	78.6	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	124.6	-176.9	-175.6	0	0	0	0	109.3	V28 L46 H51 E52 V53 T54 V147 V149 M468	V26-V28 HydrophobicContact CG1-CG2 4.16Å; V26-L46 HydrophobicContact CG1-CD1 4.49Å; V26-L46 HydrophobicContact CG2-CD1 4.43Å; V26-H51 HydrophobicContact CG2-CB 4.36Å; V26-E52 PolarHBondContact N-O 3.39Å; V26-V53 HydrophobicContact CB-CG2 4.23Å; V26-T54 PolarHBondContact O-N 3.41Å; V26-V147 WeakPolarHBondContact CA-O 3.34Å; V26-V147 HydrophobicContact CB-CG1 4.46Å; V26-V147 HydrophobicContact CG1-CG1 4.26Å; V26-V147 HydrophobicContact CG2-CG1 3.94Å; V26-V149 HydrophobicContact CG1-CB 4.48Å; V26-V149 HydrophobicContact CG1-CG2 3.77Å; V26-M468 HydrophobicContact CG2-CE 3.66Å
27	L	98.2	Very high	79.9	Confident	0 Å²	0	47 Å²	47	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	135.1	170.5	178	65.3	0	0	0	109.6	T54 L56 L140 Y145 V147 M148 V149 L164	L27-T54 CarbonylContact C-O 3.54Å; L27-T54 WeakPolarHBondContact CA-O 3.37Å; L27-T54 HydrophobicContact CD1-CG2 4.35Å; L27-L56 HydrophobicContact CD1-CD1 4.08Å; L27-L56 HydrophobicContact CD1-CD2 3.78Å; L27-L56 HydrophobicContact CD1-CG 3.7Å; L27-L56 HydrophobicContact CD2-CD1 4.5Å; L27-L56 HydrophobicContact CG-CD1 4.42Å; L27-L56 HydrophobicContact CG-CG 4.48Å; L27-L140 HydrophobicContact CD1-CD2 4.26Å; L27-L140 HydrophobicContact CD2-CD1 4.43Å; L27-L140 HydrophobicContact CD2-CD2 4.49Å; L27-Y145 HydrophobicContact CB-CD1 3.62Å; L27-Y145 HydrophobicContact CB-CD2 3.8Å; L27-Y145 HydrophobicContact CB-CE1 3.89Å; L27-Y145 HydrophobicContact CB-CE2 4.04Å; L27-Y145 HydrophobicContact CB-CG 3.57Å; L27-Y145 HydrophobicContact CD1-CE1 4.33Å; L27-Y145 HydrophobicContact CD1-CE2 3.96Å; L27-Y145 HydrophobicContact CD2-CD2 3.88Å; L27-Y145 HydrophobicContact CD2-CE2 3.95Å; L27-Y145 HydrophobicContact CD2-CG 4.47Å; L27-Y145 HydrophobicContact CG-CD2 4.29Å; L27-Y145 HydrophobicContact CG-CE2 4.22Å; L27-V147 PolarHBondContact N-O 3.32Å; L27-V147 VanDerWaalsContact N-O 3.09Å; L27-M148 HydrophobicContact CB-CG 3.84Å; L27-M148 HydrophobicContact CD2-CE 3.92Å; L27-M148 HydrophobicContact CD2-CG 4.1Å; L27-M148 HydrophobicContact CD2-SD 3.93Å; L27-M148 HydrophobicContact CG-CE 4.25Å; L27-M148 HydrophobicContact CG-CG 4.18Å; L27-M148 CarbonylContact O-C 3.51Å; L27-M148 WeakPolarHBondContact O-CA 3.21Å; L27-V149 PolarHBondContact O-N 3.1Å; L27-L164 HydrophobicContact CD2-CD1 3.88Å
28	V	97.1	Very high	81.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	130.3	-173.8	-173.5	0	0	0	0	110.8	V26 P30 M39 L43 V53 T54 V55 L56 V149	V26-V28 HydrophobicContact CG1-CG2 4.16Å; V28-P30 HydrophobicContact CG1-CB 4.36Å; V28-P30 WeakPolarHBondContact O-CD 3.24Å; V28-M39 HydrophobicContact CG1-CG 4.42Å; V28-M39 HydrophobicContact CG1-SD 3.26Å; V28-M39 WeakPolarHBondContact CG1-SD 3.49Å; V28-L43 HydrophobicContact CB-CD1 4.46Å; V28-L43 HydrophobicContact CG1-CD1 4.04Å; V28-L43 HydrophobicContact CG1-CD2 4.35Å; V28-L43 HydrophobicContact CG2-CD1 3.95Å; V28-L43 HydrophobicContact CG2-CD2 3.51Å; V28-L43 HydrophobicContact CG2-CG 4.37Å; V28-V53 HydrophobicContact CG2-CG1 3.78Å; V28-T54 PolarHBondContact N-O 2.88Å; V28-V55 HydrophobicContact CB-CB 4.44Å; V28-V55 HydrophobicContact CB-CG1 4.44Å; V28-V55 HydrophobicContact CB-CG2 4.13Å; V28-V55 HydrophobicContact CG2-CG2 4.17Å; V28-L56 WeakPolarHBondContact O-CB 3.35Å; V28-L56 WeakPolarHBondContact O-CG 3.4Å; V28-L56 PolarHBondContact O-N 3.36Å; V28-V149 WeakPolarHBondContact CA-O 2.76Å
29	W	95.6	Very high	83.5	Confident	3 Å²	3	37.6 Å²	37.6	1%	0.011	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	93.9	166.9	-173.4	-91.4	0	0	0	109	L56 I76 L126 V130 V149 I150 D151 I154 C156 G157 V160	W29-L56 HydrophobicContact CE3-CD1 3.83Å; W29-L56 HydrophobicContact CZ3-CD1 4.15Å; W29-I76 HydrophobicContact CH2-CD1 4.48Å; W29-I76 HydrophobicContact CZ3-CD1 4.26Å; W29-L126 HydrophobicContact CH2-CD2 4.25Å; W29-L126 HydrophobicContact CH2-CG 4.2Å; W29-L126 HydrophobicContact CZ2-CD2 3.96Å; W29-L126 HydrophobicContact CZ2-CG 4.37Å; W29-V130 HydrophobicContact CH2-CG2 4.23Å; W29-V130 HydrophobicContact CZ3-CG1 4.45Å; W29-V130 HydrophobicContact CZ3-CG2 4.06Å; W29-V149 PolarHBondContact N-O 3.28Å; W29-I150 HydrophobicContact CB-CB 4.37Å; W29-I150 HydrophobicContact CB-CG1 4.13Å; W29-I150 HydrophobicContact CB-CG2 4.14Å; W29-I150 HydrophobicContact CG-CG2 4.35Å; W29-D151 PolarHBondContact O-N 3.19Å; W29-I154 HydrophobicContact CZ2-CG2 4.26Å; W29-I154 PolarHBondContact NE1-O 3.48Å; W29-C156 HydrophobicContact CH2-CB 3.96Å; W29-C156 HydrophobicContact CZ2-CB 3.67Å; W29-G157 VanDerWaalsContact CG-CA 3.44Å; W29-V160 HydrophobicContact CZ3-CG2 4.16Å
30	P	92.3	Very high	85.6	Confident	1 Å²	1	36.1 Å²	36.1	1%	0.006	19%	0.194	C	C	.	.			trans	-87.6	166.9	-170.3	36.8	-37.7	0	0	0	113.2	V28 W36 M39 V55 L56 M63	V28-P30 HydrophobicContact CG1-CB 4.36Å; V28-P30 WeakPolarHBondContact O-CD 3.24Å; P30-W36 HydrophobicContact CB-CE3 4.09Å; P30-W36 HydrophobicContact CB-CZ3 4.28Å; P30-M39 HydrophobicContact CB-CE 4.48Å; P30-M39 HydrophobicContact CB-SD 3.98Å; P30-V55 HydrophobicContact CB-CG1 4.28Å; P30-V55 HydrophobicContact CG-CG1 3.82Å; P30-L56 WeakPolarHBondContact CD-O 3.41Å; P30-L56 WeakPolarHBondContact CG-O 3.39Å; P30-M63 HydrophobicContact CB-CE 3.77Å; P30-M63 HydrophobicContact CG-CE 3.45Å; P30-M63 VanDerWaalsContact CG-CE 3.45Å
31	C	88.3	Confident	87.7	Confident	14 Å²	14	25.9 Å²	25.9	10%	0.095	16%	0.156	C	C	.	.			trans	-121.2	140.6	161.1	-178.8	0	0	0	0	108.3	H35 W36 D151 I154	C31-H35 HydrophobicContact CB-CB 3.75Å; C31-H35 WeakPolarHBondContact O-CB 3.13Å; C31-W36 WeakPolarHBondContact O-CA 3.44Å; C31-W36 WeakPolarHBondContact O-CB 3.41Å; C31-W36 PolarHBondContact O-N 2.88Å; C31-D151 HydrophobicContact CB-CB 3.87Å; C31-I154 HydrophobicContact CB-CD1 4.16Å; C31-I154 HydrophobicContact CB-CG1 4.28Å
32	D	81.1	Confident	89.6	Confident	10 Å²	10	23.2 Å²	23.2	5%	0.053	13%	0.128	C	C	.	.			trans	-71.1	-174.5	-174.9	-151.2	-18.4	0	0	0	112.9	H35 Y58 S59 M62	D32-H35 WeakPolarHBondContact O-CB 3.49Å; D32-H35 PolarHBondContact O-N 3.48Å; D32-Y58 PolarHBondContact N-OH 2.81Å; D32-S59 WeakPolarHBondContact OD2-CB 3.46Å; D32-S59 PolarHBondContact OD2-OG 3.06Å; D32-M62 WeakPolarHBondContact OD1-CB 3.45Å; D32-M62 PolarHBondContact OD1-N 3.1Å
33	M	81.3	Confident	91.1	Very high	18 Å²	18	19.3 Å²	19.3	9%	0.089	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	62.4	-134.4	175.9	-58.4	-60.8	115.5	0	0	113.8	H35 W36 L37 I61 M62 L89 M312	M33-H35 PolarHBondContact O-N 3.06Å; M33-W36 PolarHBondContact O-N 3.07Å; M33-L37 PolarHBondContact O-N 3.2Å; M33-I61 HydrophobicContact CE-CB 3.39Å; M33-I61 HydrophobicContact CE-CD1 4.2Å; M33-I61 HydrophobicContact CE-CG1 4.39Å; M33-I61 HydrophobicContact CE-CG2 3.28Å; M33-M62 HydrophobicContact CE-CB 4.27Å; M33-M62 HydrophobicContact CE-CG 3.65Å; M33-M62 HydrophobicContact SD-CG 3.87Å; M33-L89 HydrophobicContact CE-CD2 3.88Å; M33-L89 HydrophobicContact CG-CD1 4.48Å; M33-L89 HydrophobicContact CG-CD2 4.48Å; M33-L89 HydrophobicContact SD-CD1 4.44Å; M33-L89 HydrophobicContact SD-CD2 3.61Å; M33-M312 HydrophobicContact CB-CG 4.47Å; M33-M312 HydrophobicContact CG-CG 4.19Å; M33-M312 HydrophobicContact CG-SD 4.41Å; M33-M312 HydrophobicContact SD-CG 4.16Å
34	S	81.8	Confident	91.6	Very high	34 Å²	34	17.9 Å²	17.9	24%	0.238	9%	0.091	C	C	.	.	H	α-helix	trans	-67.6	-22.6	-177.8	52	0	0	0	0	113	N38 N378	S34-N38 PolarHBondContact O-N 2.89Å; S34-N378 PolarHBondContact O-ND2 3.38Å
35	H	89.8	Confident	91.7	Very high	43 Å²	43	20 Å²	20	20%	0.199	10%	0.1	C	C	.	.	H	α-helix	trans	-67.5	-45.9	174.9	-72.6	-120.8	0	0	0	110.2	C31 D32 M33 L37 N38 M39 D151 V153 R259	C31-H35 HydrophobicContact CB-CB 3.75Å; C31-H35 WeakPolarHBondContact O-CB 3.13Å; D32-H35 WeakPolarHBondContact O-CB 3.49Å; D32-H35 PolarHBondContact O-N 3.48Å; M33-H35 PolarHBondContact O-N 3.06Å; H35-L37 PolarHBondContact O-N 2.97Å; H35-N38 PolarHBondContact O-N 2.83Å; H35-M39 WeakPolarHBondContact O-CB 3.25Å; H35-M39 PolarHBondContact O-N 2.96Å; H35-D151 IonicContact CE1-OD2 3.73Å; H35-D151 IonicContact CG-OD2 3.77Å; H35-D151 IonicContact ND1-OD1 2.82Å; H35-D151 PolarHBondContact ND1-OD1 2.95Å; H35-D151 IonicContact ND1-OD2 3.19Å; H35-D151 PolarHBondContact ND1-OD2 2.88Å; H35-V153 VanDerWaalsContact CE1-CG2 3.49Å; H35-V153 WeakPolarHBondContact CE1-CG2 3.36Å; H35-R259 PolarHBondContact CE1-NH2 3.49Å; H35-R259 PolarHBondContact ND1-NH2 3.45Å
36	W	89	Confident	91.7	Very high	2 Å²	2	16.7 Å²	16.7	1%	0.008	9%	0.086	C	C	.	.	H	α-helix	trans	-58.8	-44.2	175.1	173.8	-114.9	0	0	0	112.3	P30 C31 M33 N38 M39 K40 L43 V55 M62 M63 L71 F73	P30-W36 HydrophobicContact CB-CE3 4.09Å; P30-W36 HydrophobicContact CB-CZ3 4.28Å; C31-W36 WeakPolarHBondContact O-CA 3.44Å; C31-W36 WeakPolarHBondContact O-CB 3.41Å; C31-W36 PolarHBondContact O-N 2.88Å; M33-W36 PolarHBondContact O-N 3.07Å; W36-N38 VanDerWaalsContact C-N 3.27Å; W36-N38 PolarHBondContact O-N 3.4Å; W36-M39 PolarHBondContact O-N 3.45Å; W36-K40 HydrophobicContact CD2-CB 4.3Å; W36-K40 HydrophobicContact CZ2-CB 4.17Å; W36-K40 HydrophobicContact CZ2-CD 4.09Å; W36-K40 HydrophobicContact CZ2-CG 4.26Å; W36-K40 WeakPolarHBondContact O-CB 3.31Å; W36-K40 PolarHBondContact O-N 3.09Å; W36-L43 HydrophobicContact CH2-CD1 4.11Å; W36-L43 HydrophobicContact CZ3-CD1 3.86Å; W36-V55 HydrophobicContact CH2-CG1 4.01Å; W36-V55 HydrophobicContact CH2-CG2 4.08Å; W36-V55 HydrophobicContact CZ3-CG1 3.74Å; W36-V55 HydrophobicContact CZ3-CG2 4.28Å; W36-M62 PolarHBondContact NE1-O 3.11Å; W36-M63 HydrophobicContact CD2-CE 4.45Å; W36-M63 HydrophobicContact CD2-CG 3.96Å; W36-M63 HydrophobicContact CE3-CE 4.15Å; W36-M63 HydrophobicContact CE3-CG 4.46Å; W36-M63 HydrophobicContact CG-CG 4.17Å; W36-M63 HydrophobicContact CZ2-CG 4.33Å; W36-L71 HydrophobicContact CH2-CD1 4.21Å; W36-L71 HydrophobicContact CZ2-CD1 4.42Å; W36-F73 AromaticContact CH2-CE1 3.8Å; W36-F73 HydrophobicContact CH2-CE1 3.8Å; W36-F73 HydrophobicContact CH2-CZ 4.06Å; W36-F73 AromaticContact CZ2-CE1 3.97Å; W36-F73 HydrophobicContact CZ2-CE1 3.97Å; W36-F73 AromaticContact CZ2-CZ 3.98Å; W36-F73 HydrophobicContact CZ2-CZ 3.98Å
37	L	86.6	Confident	91.5	Very high	67 Å²	67	18.1 Å²	18.1	35%	0.351	10%	0.095	S	C	.	.	H	α-helix	trans	-58	-39.7	179	-65.2	178.3	0	0	0	112.7	M33 H35 T41	M33-L37 PolarHBondContact O-N 3.2Å; H35-L37 PolarHBondContact O-N 2.97Å; L37-T41 PolarHBondContact O-OG1 3.41Å
38	N	89.8	Confident	91.3	Very high	4 Å²	4	23.6 Å²	23.6	2%	0.021	13%	0.128	C	C	.	.	H	α-helix	trans	-72.3	-49.3	177.8	-172.4	-88.2	0	0	0	110.9	S34 H35 W36 K40 T41 R259 L280 H281	S34-N38 PolarHBondContact O-N 2.89Å; H35-N38 PolarHBondContact O-N 2.83Å; W36-N38 VanDerWaalsContact C-N 3.27Å; W36-N38 PolarHBondContact O-N 3.4Å; N38-K40 PolarHBondContact O-N 3.48Å; N38-T41 WeakPolarHBondContact O-CB 3.16Å; N38-T41 PolarHBondContact O-N 2.59Å; N38-T41 VanDerWaalsContact O-N 3.15Å; N38-R259 VanDerWaalsContact CG-CD 3.49Å; N38-R259 WeakPolarHBondContact OD1-CD 3.46Å; N38-L280 WeakPolarHBondContact ND2-CD1 3.48Å; N38-L280 WeakPolarHBondContact O-CD1 3.42Å; N38-H281 PolarHBondContact ND2-ND1 2.59Å
39	M	92.1	Very high	91.2	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-61	-45.9	179.9	-170.7	-177.9	-60.4	0	0	112	V28 P30 H35 W36 T41 I42 L43 D151 T171	V28-M39 HydrophobicContact CG1-CG 4.42Å; V28-M39 HydrophobicContact CG1-SD 3.26Å; V28-M39 WeakPolarHBondContact CG1-SD 3.49Å; P30-M39 HydrophobicContact CB-CE 4.48Å; P30-M39 HydrophobicContact CB-SD 3.98Å; H35-M39 WeakPolarHBondContact O-CB 3.25Å; H35-M39 PolarHBondContact O-N 2.96Å; W36-M39 PolarHBondContact O-N 3.45Å; M39-T41 PolarHBondContact O-N 2.66Å; M39-T41 VanDerWaalsContact O-N 3.1Å; M39-I42 WeakPolarHBondContact O-CA 3.36Å; M39-I42 WeakPolarHBondContact O-CB 3.34Å; M39-I42 PolarHBondContact O-N 3.27Å; M39-L43 HydrophobicContact CG-CD1 4.14Å; M39-L43 HydrophobicContact CG-CD2 4.42Å; M39-L43 HydrophobicContact CG-CG 4.13Å; M39-L43 WeakPolarHBondContact O-CG 3.4Å; M39-L43 PolarHBondContact O-N 3.34Å; M39-L43 HydrophobicContact SD-CD1 4.48Å; M39-D151 HydrophobicContact CE-CB 3.42Å; M39-D151 VanDerWaalsContact CE-CB 3.42Å; M39-T171 HydrophobicContact CE-CG2 3.72Å
40	K	92.2	Very high	91.1	Very high	27 Å²	27	29.4 Å²	29.4	12%	0.117	16%	0.162	C	C	.	.	H	α-helix	trans	-51.1	-36.8	176.5	177.7	174.2	173.9	173.5	0	112.1	W36 N38 I42 L43 E44	W36-K40 HydrophobicContact CD2-CB 4.3Å; W36-K40 HydrophobicContact CZ2-CB 4.17Å; W36-K40 HydrophobicContact CZ2-CD 4.09Å; W36-K40 HydrophobicContact CZ2-CG 4.26Å; W36-K40 WeakPolarHBondContact O-CB 3.31Å; W36-K40 PolarHBondContact O-N 3.09Å; N38-K40 PolarHBondContact O-N 3.48Å; K40-I42 VanDerWaalsContact C-N 3.33Å; K40-I42 PolarHBondContact O-N 3.16Å; K40-L43 PolarHBondContact O-N 3.47Å; K40-E44 WeakPolarHBondContact CE-OE1 3.33Å; K40-E44 HydrophobicContact CG-CG 4.12Å; K40-E44 IonicContact NZ-OE1 2.63Å; K40-E44 WeakPolarHBondContact O-CB 3.27Å; K40-E44 WeakPolarHBondContact O-CG 3.39Å; K40-E44 PolarHBondContact O-N 3.36Å
41	T	93.6	Very high	91.2	Very high	13 Å²	13	30 Å²	30	8%	0.08	16%	0.164	C	C	.	.	H	α-helix	trans	-63.6	-39.5	177.3	-57.1	0	0	0	0	112.2	L37 N38 M39 E45 L280 L457	L37-T41 PolarHBondContact O-OG1 3.41Å; N38-T41 WeakPolarHBondContact O-CB 3.16Å; N38-T41 PolarHBondContact O-N 2.59Å; N38-T41 VanDerWaalsContact O-N 3.15Å; M39-T41 PolarHBondContact O-N 2.66Å; M39-T41 VanDerWaalsContact O-N 3.1Å; T41-E45 PolarHBondContact O-N 2.97Å; T41-L280 HydrophobicContact CG2-CD1 4.22Å; T41-L280 WeakPolarHBondContact CG2-O 3.49Å; T41-L457 HydrophobicContact CG2-CD1 4.05Å; T41-L457 HydrophobicContact CG2-CD2 3.89Å
42	I	96.1	Very high	91.6	Very high	0 Å²	0	33 Å²	33	0%	0	18%	0.177	C	C	.	.	H	α-helix	trans	-66.1	-46.2	173.8	-56.8	172.8	0	0	0	110.3	M39 K40 E45 L46 L280 L457 A460 V461 I464	M39-I42 WeakPolarHBondContact O-CA 3.36Å; M39-I42 WeakPolarHBondContact O-CB 3.34Å; M39-I42 PolarHBondContact O-N 3.27Å; K40-I42 VanDerWaalsContact C-N 3.33Å; K40-I42 PolarHBondContact O-N 3.16Å; I42-E45 PolarHBondContact O-N 3.13Å; I42-L46 HydrophobicContact CG2-CD1 4.13Å; I42-L46 WeakPolarHBondContact O-CG 3.42Å; I42-L46 PolarHBondContact O-N 3.4Å; I42-L280 HydrophobicContact CD1-CD2 3.85Å; I42-L280 HydrophobicContact CG1-CD1 3.99Å; I42-L280 HydrophobicContact CG1-CD2 4.05Å; I42-L457 HydrophobicContact CG1-CD1 4.21Å; I42-A460 HydrophobicContact CD1-CB 4.28Å; I42-A460 HydrophobicContact CG1-CB 4.39Å; I42-V461 HydrophobicContact CG2-CG2 4.16Å; I42-I464 HydrophobicContact CG2-CD1 3.44Å; I42-I464 VanDerWaalsContact CG2-CD1 3.44Å
43	L	95.6	Very high	92.3	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.175	C	C	.	.	H	α-helix	trans	-65.8	-41.2	-176.4	-57.2	-177.2	0	0	0	112.6	V28 W36 M39 K40 E45 L46 V47 V53 V55 L71	V28-L43 HydrophobicContact CB-CD1 4.46Å; V28-L43 HydrophobicContact CG1-CD1 4.04Å; V28-L43 HydrophobicContact CG1-CD2 4.35Å; V28-L43 HydrophobicContact CG2-CD1 3.95Å; V28-L43 HydrophobicContact CG2-CD2 3.51Å; V28-L43 HydrophobicContact CG2-CG 4.37Å; W36-L43 HydrophobicContact CH2-CD1 4.11Å; W36-L43 HydrophobicContact CZ3-CD1 3.86Å; M39-L43 HydrophobicContact CG-CD1 4.14Å; M39-L43 HydrophobicContact CG-CD2 4.42Å; M39-L43 HydrophobicContact CG-CG 4.13Å; M39-L43 WeakPolarHBondContact O-CG 3.4Å; M39-L43 PolarHBondContact O-N 3.34Å; M39-L43 HydrophobicContact SD-CD1 4.48Å; K40-L43 PolarHBondContact O-N 3.47Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 2.91Å; L43-L46 HydrophobicContact CD2-CD1 4.3Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 PolarHBondContact O-N 3.38Å; L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 2.75Å; L43-V53 HydrophobicContact CB-CG1 4.19Å; L43-V53 HydrophobicContact CD1-CG1 4.34Å; L43-V53 HydrophobicContact CD2-CG1 3.97Å; L43-V53 HydrophobicContact CG-CG1 4.36Å; L43-V55 HydrophobicContact CD1-CG2 3.79Å; L43-L71 HydrophobicContact CB-CD1 4.49Å; L43-L71 HydrophobicContact CB-CD2 3.72Å
44	E	94.4	Very high	93	Very high	67 Å²	67	32.2 Å²	32.2	31%	0.313	17%	0.174	S	C	.	.	H	α-helix	trans	-62	-40.5	175.4	-75.3	179.1	165.3	0	0	111.3	K40 V47 V48	K40-E44 WeakPolarHBondContact CE-OE1 3.33Å; K40-E44 HydrophobicContact CG-CG 4.12Å; K40-E44 IonicContact NZ-OE1 2.63Å; K40-E44 WeakPolarHBondContact O-CB 3.27Å; K40-E44 WeakPolarHBondContact O-CG 3.39Å; K40-E44 PolarHBondContact O-N 3.36Å; E44-V47 PolarHBondContact O-N 3.46Å; E44-V48 WeakPolarHBondContact O-CG2 3.35Å; E44-V48 PolarHBondContact O-N 3.36Å
45	E	95.5	Very high	93.6	Very high	47 Å²	47	30.6 Å²	30.6	22%	0.22	16%	0.162	C	C	.	.	H	α-helix	trans	-66.9	-38.6	176	-176.8	60.2	-155.6	0	0	112	T41 I42 L43 V47 V48 R49 L457 V461	T41-E45 PolarHBondContact O-N 2.97Å; I42-E45 PolarHBondContact O-N 3.13Å; L43-E45 VanDerWaalsContact C-N 3.32Å; L43-E45 PolarHBondContact O-N 2.91Å; E45-V47 VanDerWaalsContact C-N 3.33Å; E45-V47 PolarHBondContact O-N 2.83Å; E45-V48 PolarHBondContact O-N 2.91Å; E45-R49 WeakPolarHBondContact O-CG 3.35Å; E45-R49 PolarHBondContact O-N 3.19Å; E45-R49 IonicContact OE1-CZ 2.68Å; E45-R49 IonicContact OE1-NE 3.46Å; E45-R49 PolarHBondContact OE1-NE 3.48Å; E45-R49 IonicContact OE1-NH2 3.61Å; E45-R49 PolarHBondContact OE1-NH2 3.45Å; E45-L457 HydrophobicContact CB-CD1 4.12Å; E45-L457 HydrophobicContact CB-CD2 4.12Å; E45-L457 HydrophobicContact CB-CG 4.25Å; E45-L457 HydrophobicContact CG-CD1 4.45Å; E45-L457 HydrophobicContact CG-CD2 4.21Å; E45-L457 HydrophobicContact CG-CG 4.16Å; E45-V461 HydrophobicContact CB-CG2 4.07Å; E45-V461 HydrophobicContact CG-CG2 3.77Å
46	L	96.4	Very high	93.7	Very high	0 Å²	0	28.6 Å²	28.6	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-60.3	-42.8	172.8	-73.2	167.1	0	0	0	111.6	V26 I42 L43 R49 G50 H51 V53 V461 I464	V26-L46 HydrophobicContact CG1-CD1 4.49Å; V26-L46 HydrophobicContact CG2-CD1 4.43Å; I42-L46 HydrophobicContact CG2-CD1 4.13Å; I42-L46 WeakPolarHBondContact O-CG 3.42Å; I42-L46 PolarHBondContact O-N 3.4Å; L43-L46 HydrophobicContact CD2-CD1 4.3Å; L43-L46 WeakPolarHBondContact O-CB 3.49Å; L43-L46 PolarHBondContact O-N 3.38Å; L46-R49 CarbonylContact O-C 3.52Å; L46-R49 PolarHBondContact O-N 3.3Å; L46-G50 PolarHBondContact O-N 3.34Å; L46-H51 HydrophobicContact CB-CB 4.17Å; L46-H51 WeakPolarHBondContact O-CB 3.32Å; L46-H51 PolarHBondContact O-CD2 2.92Å; L46-H51 PolarHBondContact O-N 3.01Å; L46-V53 HydrophobicContact CB-CG2 4.02Å; L46-V461 HydrophobicContact CD2-CG1 3.84Å; L46-V461 HydrophobicContact CG-CG2 4.44Å; L46-I464 HydrophobicContact CD1-CD1 4.23Å; L46-I464 HydrophobicContact CD1-CG2 4.24Å; L46-I464 HydrophobicContact CD2-CG2 4.16Å
47	V	95.1	Very high	93.5	Very high	31 Å²	31	29.2 Å²	29.2	19%	0.188	16%	0.156	C	C	.	.	H	α-helix	trans	-63	-43.8	175.2	169.3	0	0	0	0	111.5	L43 E44 E45 R49 G50 V53 A70 L71	L43-V47 WeakPolarHBondContact O-CG2 3.25Å; L43-V47 PolarHBondContact O-N 2.75Å; E44-V47 PolarHBondContact O-N 3.46Å; E45-V47 VanDerWaalsContact C-N 3.33Å; E45-V47 PolarHBondContact O-N 2.83Å; V47-R49 PolarHBondContact O-N 2.94Å; V47-G50 PolarHBondContact O-N 2.91Å; V47-V53 HydrophobicContact CG2-CB 4.03Å; V47-V53 HydrophobicContact CG2-CG2 3.7Å; V47-A70 HydrophobicContact CG1-CB 3.65Å; V47-L71 HydrophobicContact CG2-CD2 3.71Å
48	V	94.1	Very high	93.1	Very high	114 Å²	114	27.7 Å²	27.7	69%	0.691	15%	0.146	S	C	*	.	H	α-helix	trans	-58	-33.6	175.5	167.6	0	0	0	0	111.5	E44 E45 G50	E44-V48 WeakPolarHBondContact O-CG2 3.35Å; E44-V48 PolarHBondContact O-N 3.36Å; E45-V48 PolarHBondContact O-N 2.91Å; V48-G50 VanDerWaalsContact C-N 3.27Å; V48-G50 PolarHBondContact O-N 2.85Å
49	R	94	Very high	92.2	Very high	87 Å²	87	27.5 Å²	27.5	33%	0.328	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.2	3.6	176.7	-67.7	173.7	179.8	-134.1	-0.2	114.5	E45 L46 V47 D458 E465	E45-R49 WeakPolarHBondContact O-CG 3.35Å; E45-R49 PolarHBondContact O-N 3.19Å; E45-R49 IonicContact OE1-CZ 2.68Å; E45-R49 IonicContact OE1-NE 3.46Å; E45-R49 PolarHBondContact OE1-NE 3.48Å; E45-R49 IonicContact OE1-NH2 3.61Å; E45-R49 PolarHBondContact OE1-NH2 3.45Å; L46-R49 CarbonylContact O-C 3.52Å; L46-R49 PolarHBondContact O-N 3.3Å; V47-R49 PolarHBondContact O-N 2.94Å; R49-D458 IonicContact NH2-OD1 3.35Å; R49-D458 PolarHBondContact NH2-OD1 2.88Å; R49-E465 WeakPolarHBondContact CD-OE1 3.12Å; R49-E465 IonicContact NH1-OE1 2.92Å; R49-E465 PolarHBondContact NH1-OE1 3.16Å; R49-E465 VanDerWaalsContact NH1-OE1 3.15Å
50	G	93.5	Very high	90.6	Very high	39 Å²	39	29.6 Å²	29.6	40%	0.402	16%	0.157	S	C	.	.	T	Hydrogen-bonded Turn	trans	92.6	11.8	172.9	0	0	0	0	0	115.2	C23 L46 V47 V48	C23-G50 WeakPolarHBondContact CB-O 3.25Å; L46-G50 PolarHBondContact O-N 3.34Å; V47-G50 PolarHBondContact O-N 2.91Å; V48-G50 VanDerWaalsContact C-N 3.27Å; V48-G50 PolarHBondContact O-N 2.85Å
51	H	95.5	Very high	89	Confident	12 Å²	12	29.9 Å²	29.9	6%	0.056	16%	0.16	C	C	.	.			trans	-79.6	143.5	175	-61.7	-74.5	0	0	0	112	L22 G24 V26 L46 V53 E465	L22-H51 PolarHBondContact O-CE1 3.43Å; L22-H51 PolarHBondContact O-ND1 3.07Å; G24-H51 PolarHBondContact N-ND1 3.25Å; G24-H51 WeakPolarHBondContact O-CA 3.45Å; G24-H51 WeakPolarHBondContact O-CB 3.02Å; G24-H51 PolarHBondContact O-ND1 3.5Å; V26-H51 HydrophobicContact CG2-CB 4.36Å; L46-H51 HydrophobicContact CB-CB 4.17Å; L46-H51 WeakPolarHBondContact O-CB 3.32Å; L46-H51 PolarHBondContact O-CD2 2.92Å; L46-H51 PolarHBondContact O-N 3.01Å; H51-V53 HydrophobicContact CB-CG2 4.4Å; H51-E465 IonicContact NE2-OE1 2.68Å
52	E	95.9	Very high	87.2	Confident	79 Å²	79	31.2 Å²	31.2	37%	0.369	17%	0.166	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	117.5	170.2	-173.3	-175	165.9	0	0	108.3	G24 K25 V26	G24-E52 PolarHBondContact O-N 2.97Å; G24-E52 VanDerWaalsContact O-N 3.08Å; K25-E52 CarbonylContact C-O 3.5Å; K25-E52 WeakPolarHBondContact CA-O 3.47Å; K25-E52 WeakPolarHBondContact CE-OE2 3.2Å; K25-E52 HydrophobicContact CG-CB 4.27Å; V26-E52 PolarHBondContact N-O 3.39Å
53	V	96.1	Very high	85.5	Confident	1 Å²	1	31.3 Å²	31.3	1%	0.006	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.6	119.7	-175.2	-177.3	0	0	0	0	110.2	V26 V28 L43 L46 V47 H51 V55 L71 H72	V26-V53 HydrophobicContact CB-CG2 4.23Å; V28-V53 HydrophobicContact CG2-CG1 3.78Å; L43-V53 HydrophobicContact CB-CG1 4.19Å; L43-V53 HydrophobicContact CD1-CG1 4.34Å; L43-V53 HydrophobicContact CD2-CG1 3.97Å; L43-V53 HydrophobicContact CG-CG1 4.36Å; L46-V53 HydrophobicContact CB-CG2 4.02Å; V47-V53 HydrophobicContact CG2-CB 4.03Å; V47-V53 HydrophobicContact CG2-CG2 3.7Å; H51-V53 HydrophobicContact CB-CG2 4.4Å; V53-V55 HydrophobicContact CG1-CG2 4.32Å; V53-L71 HydrophobicContact CB-CD2 3.84Å; V53-L71 HydrophobicContact CG1-CD2 3.76Å; V53-H72 WeakPolarHBondContact O-CB 3.29Å; V53-H72 PolarHBondContact O-N 3.21Å
54	T	95.9	Very high	83.5	Confident	10 Å²	10	36.3 Å²	36.3	6%	0.061	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	122.5	175.2	-56.8	0	0	0	0	110.6	V26 L27 V28 H72 E74 Y145	V26-T54 PolarHBondContact O-N 3.41Å; L27-T54 CarbonylContact C-O 3.54Å; L27-T54 WeakPolarHBondContact CA-O 3.37Å; L27-T54 HydrophobicContact CD1-CG2 4.35Å; V28-T54 PolarHBondContact N-O 2.88Å; T54-H72 CarbonylContact C-O 3.52Å; T54-H72 WeakPolarHBondContact CA-O 3.21Å; T54-E74 HydrophobicContact CG2-CB 3.89Å; T54-Y145 WeakPolarHBondContact CB-OH 3.23Å; T54-Y145 WeakPolarHBondContact CG2-OH 3.32Å; T54-Y145 PolarHBondContact OG1-OH 3.01Å
55	V	94.1	Very high	81.5	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	123.3	-179.6	-175.9	0	0	0	0	110.2	V28 P30 W36 L43 V53 K57 H72 F73 E74	V28-V55 HydrophobicContact CB-CB 4.44Å; V28-V55 HydrophobicContact CB-CG1 4.44Å; V28-V55 HydrophobicContact CB-CG2 4.13Å; V28-V55 HydrophobicContact CG2-CG2 4.17Å; P30-V55 HydrophobicContact CB-CG1 4.28Å; P30-V55 HydrophobicContact CG-CG1 3.82Å; W36-V55 HydrophobicContact CH2-CG1 4.01Å; W36-V55 HydrophobicContact CH2-CG2 4.08Å; W36-V55 HydrophobicContact CZ3-CG1 3.74Å; W36-V55 HydrophobicContact CZ3-CG2 4.28Å; L43-V55 HydrophobicContact CD1-CG2 3.79Å; V53-V55 HydrophobicContact CG1-CG2 4.32Å; V55-K57 PolarHBondContact O-N 3.47Å; V55-H72 PolarHBondContact N-O 3.12Å; V55-F73 HydrophobicContact CB-CD1 3.87Å; V55-F73 HydrophobicContact CB-CE1 4.01Å; V55-F73 HydrophobicContact CG1-CD1 4.16Å; V55-F73 HydrophobicContact CG1-CE1 4.12Å; V55-F73 HydrophobicContact CG2-CE1 4.37Å; V55-E74 PolarHBondContact O-N 2.89Å
56	L	91.9	Very high	79.2	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	113.2	173.1	-61.5	-176.7	0	0	0	109.6	L27 V28 W29 P30 E74 I76 F136 L140	L27-L56 HydrophobicContact CD1-CD1 4.08Å; L27-L56 HydrophobicContact CD1-CD2 3.78Å; L27-L56 HydrophobicContact CD1-CG 3.7Å; L27-L56 HydrophobicContact CD2-CD1 4.5Å; L27-L56 HydrophobicContact CG-CD1 4.42Å; L27-L56 HydrophobicContact CG-CG 4.48Å; V28-L56 WeakPolarHBondContact O-CB 3.35Å; V28-L56 WeakPolarHBondContact O-CG 3.4Å; V28-L56 PolarHBondContact O-N 3.36Å; W29-L56 HydrophobicContact CE3-CD1 3.83Å; W29-L56 HydrophobicContact CZ3-CD1 4.15Å; P30-L56 WeakPolarHBondContact CD-O 3.41Å; P30-L56 WeakPolarHBondContact CG-O 3.39Å; L56-E74 WeakPolarHBondContact CA-O 3.28Å; L56-E74 HydrophobicContact CD2-CB 4.12Å; L56-E74 HydrophobicContact CD2-CG 4.33Å; L56-I76 HydrophobicContact CB-CD1 3.99Å; L56-I76 HydrophobicContact CB-CG1 4.24Å; L56-F136 HydrophobicContact CD2-CE1 4.3Å; L56-F136 HydrophobicContact CD2-CZ 3.9Å; L56-L140 HydrophobicContact CD1-CD1 4.44Å; L56-L140 HydrophobicContact CD2-CD2 4.08Å
57	K	85.4	Confident	76.9	Confident	15 Å²	15	51.1 Å²	51.1	7%	0.065	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	124.8	-172.6	179.8	177.2	168.1	-160.8	0	110.8	V55 S59 M63 F73 E74 I76	V55-K57 PolarHBondContact O-N 3.47Å; K57-S59 WeakPolarHBondContact CE-O 3.37Å; K57-S59 WeakPolarHBondContact CG-O 3.17Å; K57-M63 HydrophobicContact CB-SD 4.33Å; K57-M63 HydrophobicContact CD-SD 4.4Å; K57-M63 HydrophobicContact CG-SD 3.9Å; K57-F73 HydrophobicContact CB-CD1 4.45Å; K57-F73 HydrophobicContact CD-CD1 4.36Å; K57-E74 PolarHBondContact N-O 3.36Å; K57-I76 PolarHBondContact O-N 2.88Å
58	Y	78.4	Confident	74.8	Confident	34 Å²	34	58 Å²	58	13%	0.133	29%	0.292	C	S	.	.	S	Bend	trans	-118.1	-16.4	172.7	68	-89.2	0	0	0	113.7	D32 L126 I154	D32-Y58 PolarHBondContact N-OH 2.81Å; Y58-L126 HydrophobicContact CD1-CD2 4.16Å; Y58-L126 HydrophobicContact CD2-CD2 4.45Å; Y58-L126 HydrophobicContact CG-CD1 4.06Å; Y58-L126 HydrophobicContact CG-CD2 4.08Å; Y58-I154 HydrophobicContact CE1-CD1 3.85Å; Y58-I154 HydrophobicContact CE2-CD1 4.29Å; Y58-I154 VanDerWaalsContact CZ-CD1 3.44Å; Y58-I154 WeakPolarHBondContact OH-CD1 3.38Å
59	S	69.8	Low	73.4	Confident	0 Å²	0	54 Å²	54	0%	0	27%	0.268	C	S	.	.			trans	-143.1	158.6	176.6	60.8	0	0	0	0	112.1	D32 K57	D32-S59 WeakPolarHBondContact OD2-CB 3.46Å; D32-S59 PolarHBondContact OD2-OG 3.06Å; K57-S59 WeakPolarHBondContact CE-O 3.37Å; K57-S59 WeakPolarHBondContact CG-O 3.17Å
60	T	59.3	Low	72.9	Confident	44 Å²	44	53 Å²	53	27%	0.27	28%	0.279	S	S	.	.			trans	-105.1	-9.4	-179.7	40.1	0	0	0	0	114.9	M62 M63 E82	T60-M62 VanDerWaalsContact C-N 3.28Å; T60-M62 PolarHBondContact O-N 3.23Å; T60-M63 PolarHBondContact O-N 2.85Å; T60-E82 VanDerWaalsContact CG2-CD 3.44Å; T60-E82 HydrophobicContact CG2-CG 4.31Å; T60-E82 WeakPolarHBondContact CG2-OE1 3.45Å; T60-E82 WeakPolarHBondContact OG1-CG 3.46Å; T60-E82 PolarHBondContact OG1-OE1 2.99Å; T60-E82 PolarHBondContact OG1-OE2 2.93Å
61	I	58.3	Low	72.7	Confident	34 Å²	34	51.7 Å²	51.7	17%	0.174	26%	0.263	C	S	.	.	S	Bend	trans	-59.1	-35.6	-156	-50.3	169.9	0	0	0	112.7	M33 A85 E86 L89	M33-I61 HydrophobicContact CE-CB 3.39Å; M33-I61 HydrophobicContact CE-CD1 4.2Å; M33-I61 HydrophobicContact CE-CG1 4.39Å; M33-I61 HydrophobicContact CE-CG2 3.28Å; I61-A85 HydrophobicContact CD1-CB 3.6Å; I61-E86 HydrophobicContact CD1-CB 4.16Å; I61-E86 HydrophobicContact CD1-CG 3.41Å; I61-E86 VanDerWaalsContact CD1-CG 3.41Å; I61-E86 HydrophobicContact CG1-CG 3.58Å; I61-L89 HydrophobicContact CG2-CD2 4.44Å
62	M	55.7	Low	72.5	Confident	40 Å²	40	56.1 Å²	56.1	20%	0.197	28%	0.283	C	S	.	.	S	Bend	trans	-129.8	4.1	170.4	-68.1	-104.9	162.3	0	0	114.2	D32 M33 W36 T60 D64	D32-M62 WeakPolarHBondContact OD1-CB 3.45Å; D32-M62 PolarHBondContact OD1-N 3.1Å; M33-M62 HydrophobicContact CE-CB 4.27Å; M33-M62 HydrophobicContact CE-CG 3.65Å; M33-M62 HydrophobicContact SD-CG 3.87Å; W36-M62 PolarHBondContact NE1-O 3.11Å; T60-M62 VanDerWaalsContact C-N 3.28Å; T60-M62 PolarHBondContact O-N 3.23Å; M62-D64 PolarHBondContact O-N 3.45Å
63	M	60.2	Low	72.2	Confident	3 Å²	3	54.9 Å²	54.9	2%	0.015	28%	0.276	C	S	.	.			trans	-77.6	64.4	169.4	-64.9	-168.2	-170.5	0	0	109.7	P30 W36 K57 T60 Q65 F73	P30-M63 HydrophobicContact CB-CE 3.77Å; P30-M63 HydrophobicContact CG-CE 3.45Å; P30-M63 VanDerWaalsContact CG-CE 3.45Å; W36-M63 HydrophobicContact CD2-CE 4.45Å; W36-M63 HydrophobicContact CD2-CG 3.96Å; W36-M63 HydrophobicContact CE3-CE 4.15Å; W36-M63 HydrophobicContact CE3-CG 4.46Å; W36-M63 HydrophobicContact CG-CG 4.17Å; W36-M63 HydrophobicContact CZ2-CG 4.33Å; K57-M63 HydrophobicContact CB-SD 4.33Å; K57-M63 HydrophobicContact CD-SD 4.4Å; K57-M63 HydrophobicContact CG-SD 3.9Å; T60-M63 PolarHBondContact O-N 2.85Å; M63-Q65 PolarHBondContact O-N 2.95Å; M63-Q65 VanDerWaalsContact O-N 3.1Å; M63-F73 HydrophobicContact SD-CE1 4.34Å
64	D	54.1	Low	72	Confident	104 Å²	104	56.9 Å²	56.9	56%	0.556	29%	0.286	S	S	*	.			trans	-58.1	117.2	179.7	-160.5	4.5	0	0	0	108.6	M62 N66	M62-D64 PolarHBondContact O-N 3.45Å; D64-N66 PolarHBondContact O-N 3.43Å
65	Q	51.6	Low	71.6	Confident	134 Å²	134	61.3 Å²	61.3	63%	0.626	31%	0.309	S	S	*	.			trans	-73	65.7	173.7	-69.4	-173.7	-17.9	0	0	108.2	M63 K67	M63-Q65 PolarHBondContact O-N 2.95Å; M63-Q65 VanDerWaalsContact O-N 3.1Å; Q65-K67 PolarHBondContact O-N 3.02Å
66	N	48.6	Very low	71.1	Confident	85 Å²	85	61.8 Å²	61.8	46%	0.455	31%	0.312	S	S	.	.			trans	-58.5	113.1	163.7	-101.5	-17.8	0	0	0	106	D64 H68 S69	D64-N66 PolarHBondContact O-N 3.43Å; N66-H68 PolarHBondContact O-N 2.96Å; N66-S69 PolarHBondContact O-N 2.88Å
67	K	48.4	Very low	70.4	Confident	207 Å²	207	64.5 Å²	64.5	90%	0.9	33%	0.329	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	-3.8	177.1	-72.8	-178.4	175.2	178.6	0	114	Q65	Q65-K67 PolarHBondContact O-N 3.02Å
68	H	50.3	Low	70	Confident	176 Å²	176	65.6 Å²	65.6	82%	0.815	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.8	-8.3	-177.6	-61.3	-70.5	0	0	0	114.7	N66	N66-H68 PolarHBondContact O-N 2.96Å
69	S	64.9	Low	69.7	Low	29 Å²	29	68.6 Å²	68.6	20%	0.203	36%	0.361	C	S	.	.			trans	-82.6	124	175.5	81	0	0	0	0	110.1	N66 L71	N66-S69 PolarHBondContact O-N 2.88Å; S69-L71 PolarHBondContact O-N 3.46Å
70	A	82.8	Confident	69.8	Low	66 Å²	66	75 Å²	75	55%	0.545	39%	0.391	S	S	.	.			trans	-75.9	22.6	172.3	0	0	0	0	0	113.3	V47	V47-A70 HydrophobicContact CG1-CB 3.65Å
71	L	89.9	Confident	70.4	Confident	12 Å²	12	73.2 Å²	73.2	6%	0.063	38%	0.381	C	S	.	.			trans	-76.6	133.8	171.1	-62.2	172.9	0	0	0	109.8	W36 L43 V47 V53 S69 F73	W36-L71 HydrophobicContact CH2-CD1 4.21Å; W36-L71 HydrophobicContact CZ2-CD1 4.42Å; L43-L71 HydrophobicContact CB-CD1 4.49Å; L43-L71 HydrophobicContact CB-CD2 3.72Å; V47-L71 HydrophobicContact CG2-CD2 3.71Å; V53-L71 HydrophobicContact CB-CD2 3.84Å; V53-L71 HydrophobicContact CG1-CD2 3.76Å; S69-L71 PolarHBondContact O-N 3.46Å; L71-F73 HydrophobicContact CB-CE2 3.83Å; L71-F73 HydrophobicContact CB-CZ 4.12Å; L71-F73 HydrophobicContact CD1-CZ 4.27Å
72	H	91.3	Very high	71.1	Confident	104 Å²	104	76.1 Å²	76.1	48%	0.481	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	134.1	170.3	-64.2	-63.6	0	0	0	109.7	V53 T54 V55	V53-H72 WeakPolarHBondContact O-CB 3.29Å; V53-H72 PolarHBondContact O-N 3.21Å; T54-H72 CarbonylContact C-O 3.52Å; T54-H72 WeakPolarHBondContact CA-O 3.21Å; V55-H72 PolarHBondContact N-O 3.12Å
73	F	90.3	Very high	72.3	Confident	53 Å²	53	79.2 Å²	79.2	23%	0.232	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.4	177	-67.7	-89.3	0	0	0	109.6	W36 V55 K57 M63 L71	W36-F73 AromaticContact CH2-CE1 3.8Å; W36-F73 HydrophobicContact CH2-CE1 3.8Å; W36-F73 HydrophobicContact CH2-CZ 4.06Å; W36-F73 AromaticContact CZ2-CE1 3.97Å; W36-F73 HydrophobicContact CZ2-CE1 3.97Å; W36-F73 AromaticContact CZ2-CZ 3.98Å; W36-F73 HydrophobicContact CZ2-CZ 3.98Å; V55-F73 HydrophobicContact CB-CD1 3.87Å; V55-F73 HydrophobicContact CB-CE1 4.01Å; V55-F73 HydrophobicContact CG1-CD1 4.16Å; V55-F73 HydrophobicContact CG1-CE1 4.12Å; V55-F73 HydrophobicContact CG2-CE1 4.37Å; K57-F73 HydrophobicContact CB-CD1 4.45Å; K57-F73 HydrophobicContact CD-CD1 4.36Å; M63-F73 HydrophobicContact SD-CE1 4.34Å; L71-F73 HydrophobicContact CB-CE2 3.83Å; L71-F73 HydrophobicContact CB-CZ 4.12Å; L71-F73 HydrophobicContact CD1-CZ 4.27Å
74	E	89.9	Confident	73.2	Confident	44 Å²	44	81.7 Å²	81.7	21%	0.206	42%	0.421	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	114.8	176.7	-174.3	68.9	-159.3	0	0	108.3	T54 V55 L56 K57 I76 F136 K139	T54-E74 HydrophobicContact CG2-CB 3.89Å; V55-E74 PolarHBondContact O-N 2.89Å; L56-E74 WeakPolarHBondContact CA-O 3.28Å; L56-E74 HydrophobicContact CD2-CB 4.12Å; L56-E74 HydrophobicContact CD2-CG 4.33Å; K57-E74 PolarHBondContact N-O 3.36Å; E74-I76 PolarHBondContact O-N 3.4Å; E74-F136 HydrophobicContact CG-CE2 3.62Å; E74-F136 HydrophobicContact CG-CZ 3.89Å; E74-K139 WeakPolarHBondContact OE1-CE 3.44Å; E74-K139 IonicContact OE1-NZ 3.26Å; E74-K139 PolarHBondContact OE1-NZ 2.82Å; E74-K139 WeakPolarHBondContact OE2-CE 3.41Å; E74-K139 IonicContact OE2-NZ 2.63Å; E74-K139 PolarHBondContact OE2-NZ 2.97Å
75	N	88	Confident	74.4	Confident	102 Å²	102	77.9 Å²	77.9	55%	0.545	40%	0.404	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	127.2	-177.5	-63.9	-38.5	0	0	0	110.3
76	I	84.9	Confident	75.8	Confident	11 Å²	11	76.4 Å²	76.4	6%	0.056	40%	0.397	C	S	.	.			trans	-70.6	132.9	167.9	-64.1	174.4	0	0	0	107.5	W29 L56 K57 E74 L78 L126 V130 F136	W29-I76 HydrophobicContact CH2-CD1 4.48Å; W29-I76 HydrophobicContact CZ3-CD1 4.26Å; L56-I76 HydrophobicContact CB-CD1 3.99Å; L56-I76 HydrophobicContact CB-CG1 4.24Å; K57-I76 PolarHBondContact O-N 2.88Å; E74-I76 PolarHBondContact O-N 3.4Å; I76-L78 PolarHBondContact O-N 3.38Å; I76-L126 HydrophobicContact CB-CD1 4.44Å; I76-L126 HydrophobicContact CD1-CD1 3.85Å; I76-L126 HydrophobicContact CG2-CD1 3.87Å; I76-V130 HydrophobicContact CB-CG2 4.35Å; I76-V130 HydrophobicContact CD1-CG2 3.67Å; I76-V130 HydrophobicContact CG1-CG2 3.87Å; I76-V130 HydrophobicContact CG2-CG2 3.55Å; I76-F136 HydrophobicContact CG1-CZ 4.32Å
77	P	77.4	Confident	77.6	Confident	57 Å²	57	76.7 Å²	76.7	37%	0.37	40%	0.398	S	S	.	.			trans	-74.3	75.6	-179.5	30.2	-34.4	0	0	0	110.6	N129 N133	P77-N129 PolarHBondContact O-OD1 2.81Å; P77-N133 WeakPolarHBondContact CG-ND2 3.43Å
78	L	75.6	Confident	79.3	Confident	38 Å²	38	68.5 Å²	68.5	20%	0.199	36%	0.363	C	S	.	.			trans	-116.9	114.6	177	-171.6	69.5	0	0	0	109.5	I76 H80 G81 L126 N129	I76-L78 PolarHBondContact O-N 3.38Å; L78-H80 PolarHBondContact O-N 3.43Å; L78-G81 PolarHBondContact O-N 2.86Å; L78-L126 HydrophobicContact CD2-CD1 4.1Å; L78-N129 WeakPolarHBondContact CD1-ND2 3.48Å
79	S	72.1	Confident	81	Confident	97 Å²	97	61.6 Å²	61.6	68%	0.678	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	127.6	174.4	-57.9	0	0	0	0	110.1	G81	S79-G81 PolarHBondContact O-N 3.32Å
80	H	71.4	Confident	82	Confident	136 Å²	136	64 Å²	64	63%	0.63	35%	0.349	S	S	*	.	T	Hydrogen-bonded Turn	trans	59.6	22.9	177.8	-47.6	88.1	0	0	0	115.5	L78 E82 E83 I84	L78-H80 PolarHBondContact O-N 3.43Å; H80-E82 PolarHBondContact O-N 2.82Å; H80-E82 VanDerWaalsContact O-N 3.17Å; H80-E83 HydrophobicContact CB-CB 4.48Å; H80-E83 IonicContact CD2-OE2 2.77Å; H80-E83 PolarHBondContact O-N 2.82Å; H80-I84 WeakPolarHBondContact O-CG1 3.22Å; H80-I84 PolarHBondContact O-N 3.23Å
81	G	73.1	Confident	82.3	Confident	6 Å²	6	64.3 Å²	64.3	6%	0.062	34%	0.339	C	S	.	.	H	α-helix	trans	-56.1	-34.1	-178.8	0	0	0	0	0	114.6	L78 S79 A85	L78-G81 PolarHBondContact O-N 2.86Å; S79-G81 PolarHBondContact O-N 3.32Å; G81-A85 WeakPolarHBondContact O-CB 3.31Å; G81-A85 PolarHBondContact O-N 3.21Å; G81-A85 VanDerWaalsContact O-N 3.09Å
82	E	73.2	Confident	82.2	Confident	94 Å²	94	65.6 Å²	65.6	44%	0.439	35%	0.346	S	S	.	.	H	α-helix	trans	-67	-49.7	177.1	-62.9	-177.7	-169.6	0	0	112.1	T60 H80 I84 A85 E86	T60-E82 VanDerWaalsContact CG2-CD 3.44Å; T60-E82 HydrophobicContact CG2-CG 4.31Å; T60-E82 WeakPolarHBondContact CG2-OE1 3.45Å; T60-E82 WeakPolarHBondContact OG1-CG 3.46Å; T60-E82 PolarHBondContact OG1-OE1 2.99Å; T60-E82 PolarHBondContact OG1-OE2 2.93Å; H80-E82 PolarHBondContact O-N 2.82Å; H80-E82 VanDerWaalsContact O-N 3.17Å; E82-I84 VanDerWaalsContact C-N 3.34Å; E82-I84 PolarHBondContact O-N 2.74Å; E82-A85 PolarHBondContact O-N 3.04Å; E82-E86 WeakPolarHBondContact O-CG 3.38Å; E82-E86 PolarHBondContact O-N 3.07Å
83	E	80.2	Confident	82.1	Confident	106 Å²	106	61.9 Å²	61.9	50%	0.495	33%	0.33	S	S	.	.	H	α-helix	trans	-62.5	-41.4	178.6	-177.1	-178.5	175.5	0	0	111.5	H80 A85 E86 N87	H80-E83 HydrophobicContact CB-CB 4.48Å; H80-E83 IonicContact CD2-OE2 2.77Å; H80-E83 PolarHBondContact O-N 2.82Å; E83-A85 PolarHBondContact O-N 3.48Å; E83-E86 PolarHBondContact O-N 3.48Å; E83-N87 WeakPolarHBondContact O-CB 3.29Å; E83-N87 VanDerWaalsContact O-CG 3.23Å; E83-N87 PolarHBondContact O-N 3.25Å; E83-N87 PolarHBondContact O-ND2 3.37Å
84	I	80.1	Confident	82	Confident	55 Å²	55	62.8 Å²	62.8	28%	0.282	34%	0.338	S	S	.	.	H	α-helix	trans	-59.5	-47.9	175.9	-67.4	167	0	0	0	110.3	H80 E82 E86 N87 H88 V122	H80-I84 WeakPolarHBondContact O-CG1 3.22Å; H80-I84 PolarHBondContact O-N 3.23Å; E82-I84 VanDerWaalsContact C-N 3.34Å; E82-I84 PolarHBondContact O-N 2.74Å; I84-E86 PolarHBondContact O-N 3.13Å; I84-N87 PolarHBondContact O-N 3.41Å; I84-H88 PolarHBondContact O-CD2 3.14Å; I84-H88 PolarHBondContact O-N 2.99Å; I84-V122 HydrophobicContact CG2-CG1 3.68Å; I84-V122 HydrophobicContact CG2-CG2 4.16Å
85	A	78.4	Confident	82.1	Confident	23 Å²	23	61.6 Å²	61.6	19%	0.19	33%	0.333	C	S	.	.	H	α-helix	trans	-64.3	-39.5	179.1	0	0	0	0	0	112.2	I61 G81 E82 E83 L89	I61-A85 HydrophobicContact CD1-CB 3.6Å; G81-A85 WeakPolarHBondContact O-CB 3.31Å; G81-A85 PolarHBondContact O-N 3.21Å; G81-A85 VanDerWaalsContact O-N 3.09Å; E82-A85 PolarHBondContact O-N 3.04Å; E83-A85 PolarHBondContact O-N 3.48Å; A85-L89 WeakPolarHBondContact O-CB 3.47Å; A85-L89 PolarHBondContact O-N 2.81Å
86	E	81.3	Confident	82.1	Confident	103 Å²	103	57.2 Å²	57.2	48%	0.481	31%	0.31	S	S	.	.	H	α-helix	trans	-66.7	-43.9	178	-75	-170.5	163.9	0	0	111.9	I61 E82 E83 I84 L89 S90	I61-E86 HydrophobicContact CD1-CB 4.16Å; I61-E86 HydrophobicContact CD1-CG 3.41Å; I61-E86 VanDerWaalsContact CD1-CG 3.41Å; I61-E86 HydrophobicContact CG1-CG 3.58Å; E82-E86 WeakPolarHBondContact O-CG 3.38Å; E82-E86 PolarHBondContact O-N 3.07Å; E83-E86 PolarHBondContact O-N 3.48Å; I84-E86 PolarHBondContact O-N 3.13Å; E86-L89 PolarHBondContact O-N 2.87Å; E86-S90 WeakPolarHBondContact O-CB 3.34Å; E86-S90 PolarHBondContact O-N 2.93Å
87	N	85.4	Confident	82.2	Confident	92 Å²	92	57.1 Å²	57.1	49%	0.492	31%	0.31	S	S	.	.	H	α-helix	trans	-62.8	-48.2	179	-74.1	-23.2	0	0	0	111.4	E83 I84 L89 S90 E91	E83-N87 WeakPolarHBondContact O-CB 3.29Å; E83-N87 VanDerWaalsContact O-CG 3.23Å; E83-N87 PolarHBondContact O-N 3.25Å; E83-N87 PolarHBondContact O-ND2 3.37Å; I84-N87 PolarHBondContact O-N 3.41Å; N87-L89 VanDerWaalsContact C-N 3.34Å; N87-L89 PolarHBondContact O-N 3.49Å; N87-S90 PolarHBondContact O-N 3.36Å; N87-E91 WeakPolarHBondContact O-CB 3.34Å; N87-E91 PolarHBondContact O-N 3.34Å
88	H	85.9	Confident	82.6	Confident	34 Å²	34	57.2 Å²	57.2	16%	0.157	31%	0.308	C	S	.	.	H	α-helix	trans	-66.6	-34.5	178.1	-77.7	-59.9	0	0	0	113.1	I84 E91 L92 F115	I84-H88 PolarHBondContact O-CD2 3.14Å; I84-H88 PolarHBondContact O-N 2.99Å; H88-E91 IonicContact ND1-OE2 2.74Å; H88-E91 PolarHBondContact ND1-OE2 2.91Å; H88-L92 WeakPolarHBondContact O-CB 3.33Å; H88-L92 PolarHBondContact O-N 2.94Å; H88-F115 HydrophobicContact CB-CE2 4.4Å; H88-F115 HydrophobicContact CB-CZ 4.41Å; H88-F115 AromaticContact ND1-CE2 3.98Å
89	L	84.2	Confident	83.3	Confident	32 Å²	32	57.5 Å²	57.5	17%	0.168	31%	0.311	C	S	.	.	H	α-helix	trans	-63.6	-46.9	172.7	175	62.5	0	0	0	111	M33 I61 A85 E86 N87 E91 L92 V93 M312	M33-L89 HydrophobicContact CE-CD2 3.88Å; M33-L89 HydrophobicContact CG-CD1 4.48Å; M33-L89 HydrophobicContact CG-CD2 4.48Å; M33-L89 HydrophobicContact SD-CD1 4.44Å; M33-L89 HydrophobicContact SD-CD2 3.61Å; I61-L89 HydrophobicContact CG2-CD2 4.44Å; A85-L89 WeakPolarHBondContact O-CB 3.47Å; A85-L89 PolarHBondContact O-N 2.81Å; E86-L89 PolarHBondContact O-N 2.87Å; N87-L89 VanDerWaalsContact C-N 3.34Å; N87-L89 PolarHBondContact O-N 3.49Å; L89-E91 VanDerWaalsContact C-N 3.34Å; L89-L92 PolarHBondContact O-N 3.49Å; L89-V93 HydrophobicContact CD1-CG2 4.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.29Å; L89-V93 PolarHBondContact O-N 3.47Å; L89-M312 HydrophobicContact CD1-CB 4.1Å; L89-M312 HydrophobicContact CD1-CG 3.75Å; L89-M312 HydrophobicContact CD1-SD 3.74Å
90	S	86.5	Confident	84.2	Confident	80 Å²	80	55.2 Å²	55.2	56%	0.559	29%	0.291	S	S	*	.	H	α-helix	trans	-61.9	-43.9	178.3	-172.2	0	0	0	0	111.4	E86 N87 V93 D94	E86-S90 WeakPolarHBondContact O-CB 3.34Å; E86-S90 PolarHBondContact O-N 2.93Å; N87-S90 PolarHBondContact O-N 3.36Å; S90-V93 PolarHBondContact O-N 3.1Å; S90-D94 WeakPolarHBondContact O-CB 3.4Å; S90-D94 PolarHBondContact O-N 3.08Å
91	E	89.5	Confident	84.9	Confident	71 Å²	71	51.1 Å²	51.1	33%	0.332	28%	0.276	S	S	.	.	H	α-helix	trans	-61.5	-46.1	176.6	-175.7	-177.9	-167.1	0	0	111.6	N87 H88 L89 V93 D94 L95 F115	N87-E91 WeakPolarHBondContact O-CB 3.34Å; N87-E91 PolarHBondContact O-N 3.34Å; H88-E91 IonicContact ND1-OE2 2.74Å; H88-E91 PolarHBondContact ND1-OE2 2.91Å; L89-E91 VanDerWaalsContact C-N 3.34Å; E91-V93 VanDerWaalsContact C-N 3.34Å; E91-V93 PolarHBondContact O-N 2.68Å; E91-D94 PolarHBondContact O-N 3.13Å; E91-L95 HydrophobicContact CG-CD1 4.01Å; E91-L95 HydrophobicContact CG-CG 4.36Å; E91-L95 VanDerWaalsContact O-CB 3.29Å; E91-L95 WeakPolarHBondContact O-CB 3.45Å; E91-L95 VanDerWaalsContact O-CG 3.27Å; E91-L95 WeakPolarHBondContact O-CG 3.43Å; E91-L95 PolarHBondContact O-N 3.16Å; E91-F115 HydrophobicContact CB-CE2 4.22Å; E91-F115 HydrophobicContact CG-CD2 4.07Å; E91-F115 HydrophobicContact CG-CE2 4.14Å
92	L	88.6	Confident	85.6	Confident	39 Å²	39	57.2 Å²	57.2	20%	0.204	31%	0.307	C	S	.	.	H	α-helix	trans	-59.4	-45.3	176.9	179	60.5	0	0	0	111.7	H88 L89 A96 F115	H88-L92 WeakPolarHBondContact O-CB 3.33Å; H88-L92 PolarHBondContact O-N 2.94Å; L89-L92 PolarHBondContact O-N 3.49Å; L92-A96 WeakPolarHBondContact O-CB 3.36Å; L92-A96 PolarHBondContact O-N 2.9Å; L92-F115 HydrophobicContact CB-CE1 4.19Å; L92-F115 HydrophobicContact CB-CE2 4.1Å; L92-F115 HydrophobicContact CB-CZ 3.67Å; L92-F115 HydrophobicContact CD1-CD1 4.23Å; L92-F115 HydrophobicContact CD1-CE1 3.84Å; L92-F115 HydrophobicContact CD1-CZ 4.21Å; L92-F115 HydrophobicContact CD2-CE1 4.48Å; L92-F115 HydrophobicContact CG-CE1 4.39Å; L92-F115 HydrophobicContact CG-CZ 4.34Å
93	V	87.8	Confident	86.5	Confident	26 Å²	26	55.3 Å²	55.3	16%	0.158	30%	0.3	C	S	.	.	H	α-helix	trans	-65.2	-43.7	179.4	171.5	0	0	0	0	110.7	L89 S90 E91 A96 V97 M312 V313	L89-V93 HydrophobicContact CD1-CG2 4.26Å; L89-V93 WeakPolarHBondContact O-CG2 3.29Å; L89-V93 PolarHBondContact O-N 3.47Å; S90-V93 PolarHBondContact O-N 3.1Å; E91-V93 VanDerWaalsContact C-N 3.34Å; E91-V93 PolarHBondContact O-N 2.68Å; V93-A96 PolarHBondContact O-N 3.28Å; V93-V97 HydrophobicContact CG1-CG2 4.11Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.27Å; V93-V97 VanDerWaalsContact O-CG2 3.23Å; V93-V97 WeakPolarHBondContact O-CG2 3.01Å; V93-V97 PolarHBondContact O-N 3.09Å; V93-M312 HydrophobicContact CG2-CB 4.17Å; V93-V313 HydrophobicContact CG1-CG2 4.47Å
94	D	89.8	Confident	87	Confident	73 Å²	73	53.4 Å²	53.4	39%	0.39	30%	0.297	S	S	.	.	H	α-helix	trans	-64.4	-45.7	177.5	-173.1	63.7	0	0	0	111.8	S90 E91 A96 V97 N98 V99	S90-D94 WeakPolarHBondContact O-CB 3.4Å; S90-D94 PolarHBondContact O-N 3.08Å; E91-D94 PolarHBondContact O-N 3.13Å; D94-A96 VanDerWaalsContact C-N 3.29Å; D94-A96 PolarHBondContact O-N 2.98Å; D94-V97 PolarHBondContact O-N 3.41Å; D94-N98 WeakPolarHBondContact O-CA 3.44Å; D94-N98 WeakPolarHBondContact O-CB 3.33Å; D94-N98 PolarHBondContact O-N 3.41Å; D94-N98 PolarHBondContact OD1-ND2 3.37Å; D94-V99 PolarHBondContact O-N 2.87Å; D94-V99 VanDerWaalsContact O-N 3.16Å
95	L	90.4	Very high	87.2	Confident	18 Å²	18	58 Å²	58	9%	0.094	32%	0.32	C	S	.	.	I	π-helix	trans	-54.9	-47.2	174.2	-78.1	173.3	0	0	0	111.1	E91 V99 I100 F115	E91-L95 HydrophobicContact CG-CD1 4.01Å; E91-L95 HydrophobicContact CG-CG 4.36Å; E91-L95 VanDerWaalsContact O-CB 3.29Å; E91-L95 WeakPolarHBondContact O-CB 3.45Å; E91-L95 VanDerWaalsContact O-CG 3.27Å; E91-L95 WeakPolarHBondContact O-CG 3.43Å; E91-L95 PolarHBondContact O-N 3.16Å; L95-V99 HydrophobicContact CD2-CB 4.15Å; L95-V99 HydrophobicContact CD2-CG1 4.22Å; L95-V99 HydrophobicContact CD2-CG2 4.31Å; L95-V99 PolarHBondContact O-N 3.45Å; L95-I100 HydrophobicContact CB-CD1 4.4Å; L95-I100 VanDerWaalsContact O-CB 3.28Å; L95-I100 WeakPolarHBondContact O-CB 3.41Å; L95-I100 VanDerWaalsContact O-CG1 3.3Å; L95-I100 WeakPolarHBondContact O-CG1 3.33Å; L95-I100 PolarHBondContact O-N 2.78Å; L95-F115 HydrophobicContact CD1-CB 3.9Å; L95-F115 HydrophobicContact CD1-CD2 3.81Å; L95-F115 HydrophobicContact CD1-CG 4.01Å
96	A	88.2	Confident	87.5	Confident	10 Å²	10	65 Å²	65	8%	0.083	34%	0.342	C	S	.	.	I	π-helix	trans	-68.8	-42.9	-178.8	0	0	0	0	0	114.1	L92 V93 D94 P101 F396	L92-A96 WeakPolarHBondContact O-CB 3.36Å; L92-A96 PolarHBondContact O-N 2.9Å; V93-A96 PolarHBondContact O-N 3.28Å; D94-A96 VanDerWaalsContact C-N 3.29Å; D94-A96 PolarHBondContact O-N 2.98Å; A96-P101 VanDerWaalsContact O-CD 3.28Å; A96-P101 WeakPolarHBondContact O-CD 3.34Å; A96-P101 WeakPolarHBondContact O-CG 3.36Å; A96-F396 HydrophobicContact CB-CB 3.63Å; A96-F396 HydrophobicContact CB-CD1 3.69Å; A96-F396 HydrophobicContact CB-CG 3.77Å
97	V	86.9	Confident	87.9	Confident	9 Å²	9	63.3 Å²	63.3	6%	0.055	33%	0.334	C	S	.	.	I	π-helix	trans	-92.2	-35.1	-168.7	179.2	0	0	0	0	112.3	V93 D94 K320 I395	V93-V97 HydrophobicContact CG1-CG2 4.11Å; V93-V97 VanDerWaalsContact O-CB 3.3Å; V93-V97 WeakPolarHBondContact O-CB 3.27Å; V93-V97 VanDerWaalsContact O-CG2 3.23Å; V93-V97 WeakPolarHBondContact O-CG2 3.01Å; V93-V97 PolarHBondContact O-N 3.09Å; D94-V97 PolarHBondContact O-N 3.41Å; V97-K320 PolarHBondContact O-NZ 3.3Å; V97-I395 HydrophobicContact CG2-CG2 3.6Å
98	N	87	Confident	88	Confident	60 Å²	60	59.2 Å²	59.2	32%	0.321	31%	0.313	S	S	.	.	I	π-helix	trans	-118	-31.8	-167.4	-60	-39.6	0	0	0	113.4	D94 N102	D94-N98 WeakPolarHBondContact O-CA 3.44Å; D94-N98 WeakPolarHBondContact O-CB 3.33Å; D94-N98 PolarHBondContact O-N 3.41Å; D94-N98 PolarHBondContact OD1-ND2 3.37Å; N98-N102 PolarHBondContact O-ND2 2.87Å
99	V	89.7	Confident	87.9	Confident	44 Å²	44	60.3 Å²	60.3	27%	0.267	32%	0.322	S	S	.	.	I	π-helix	trans	-96.2	-66.4	-174.4	-174.7	0	0	0	0	112.4	D94 L95 P101 N102 L103	D94-V99 PolarHBondContact O-N 2.87Å; D94-V99 VanDerWaalsContact O-N 3.16Å; L95-V99 HydrophobicContact CD2-CB 4.15Å; L95-V99 HydrophobicContact CD2-CG1 4.22Å; L95-V99 HydrophobicContact CD2-CG2 4.31Å; L95-V99 PolarHBondContact O-N 3.45Å; V99-P101 VanDerWaalsContact C-CD 3.44Å; V99-N102 PolarHBondContact O-N 2.83Å; V99-L103 HydrophobicContact CG1-CD1 3.84Å
100	I	90	Very high	87.9	Confident	49 Å²	49	64.1 Å²	64.1	25%	0.251	34%	0.338	S	S	.	.	G	3₁₀ helix	trans	-54.2	-42.3	-173.9	-70	171.6	0	0	0	112.9	L95 N102 L103 L112	L95-I100 HydrophobicContact CB-CD1 4.4Å; L95-I100 VanDerWaalsContact O-CB 3.28Å; L95-I100 WeakPolarHBondContact O-CB 3.41Å; L95-I100 VanDerWaalsContact O-CG1 3.3Å; L95-I100 WeakPolarHBondContact O-CG1 3.33Å; L95-I100 PolarHBondContact O-N 2.78Å; I100-N102 PolarHBondContact O-N 3.32Å; I100-N102 VanDerWaalsContact O-N 3.1Å; I100-L103 PolarHBondContact O-N 3.02Å; I100-L112 HydrophobicContact CD1-CB 4.33Å
101	P	87.8	Confident	88	Confident	50 Å²	50	64.5 Å²	64.5	33%	0.325	33%	0.329	S	S	.	.	G	3₁₀ helix	trans	-59.8	-23	178.9	-27.6	37.7	0	0	0	114.7	A96 V99	A96-P101 VanDerWaalsContact O-CD 3.28Å; A96-P101 WeakPolarHBondContact O-CD 3.34Å; A96-P101 WeakPolarHBondContact O-CG 3.36Å; V99-P101 VanDerWaalsContact C-CD 3.44Å
102	N	87.8	Confident	87.8	Confident	133 Å²	133	63.6 Å²	63.6	71%	0.711	33%	0.327	S	S	*	.	G	3₁₀ helix	trans	-95.1	3	-179.1	-66.3	-42.1	0	0	0	112.9	N98 V99 I100	N98-N102 PolarHBondContact O-ND2 2.87Å; V99-N102 PolarHBondContact O-N 2.83Å; I100-N102 PolarHBondContact O-N 3.32Å; I100-N102 VanDerWaalsContact O-N 3.1Å
103	L	90.4	Very high	87.5	Confident	55 Å²	55	65.6 Å²	65.6	29%	0.288	34%	0.335	S	S	.	.	S	Bend	trans	-111.9	151.1	-177	-64.4	179.4	0	0	0	111.8	V99 I100 Q107 K111	V99-L103 HydrophobicContact CG1-CD1 3.84Å; I100-L103 PolarHBondContact O-N 3.02Å; L103-Q107 HydrophobicContact CB-CB 4.12Å; L103-Q107 HydrophobicContact CD1-CB 4.33Å; L103-K111 HydrophobicContact CD1-CG 4.2Å
104	P	91.3	Very high	87.5	Confident	65 Å²	65	67.5 Å²	67.5	42%	0.422	34%	0.342	S	S	.	.			trans	-54.6	145.7	162.4	-22.2	32.7	0	0	0	111.2	W106 Q107 G108	P104-W106 PolarHBondContact O-N 2.99Å; P104-W106 VanDerWaalsContact O-N 3.08Å; P104-Q107 WeakPolarHBondContact O-CB 3.29Å; P104-Q107 PolarHBondContact O-N 2.88Å; P104-G108 PolarHBondContact O-N 2.87Å
105	I	85.2	Confident	87.4	Confident	151 Å²	151	64.3 Å²	64.3	77%	0.774	33%	0.325	S	S	*	.	H	α-helix	trans	-49.2	-43.7	-174.9	-64.4	172.7	0	0	0	112.6	Q107 G108 T109	I105-Q107 PolarHBondContact O-N 3.45Å; I105-G108 PolarHBondContact O-N 3.19Å; I105-T109 WeakPolarHBondContact O-CB 3.46Å; I105-T109 PolarHBondContact O-N 3.14Å; I105-T109 PolarHBondContact O-OG1 2.83Å
106	W	83.8	Confident	87.1	Confident	170 Å²	170	67 Å²	67	64%	0.644	34%	0.335	S	S	*	.	H	α-helix	trans	-67.1	-36.5	-178.8	73.9	-97.2	0	0	0	112.7	P104 T109 K110	P104-W106 PolarHBondContact O-N 2.99Å; P104-W106 VanDerWaalsContact O-N 3.08Å; W106-T109 PolarHBondContact O-N 2.86Å; W106-K110 WeakPolarHBondContact O-CB 3.47Å; W106-K110 PolarHBondContact O-N 3Å
107	Q	89.8	Confident	86.8	Confident	69 Å²	69	69.7 Å²	69.7	32%	0.322	35%	0.346	S	S	.	.	H	α-helix	trans	-70.3	-43	176.5	-68.6	-174.4	-7.6	0	0	110.6	L103 P104 I105 T109 K110 K111	L103-Q107 HydrophobicContact CB-CB 4.12Å; L103-Q107 HydrophobicContact CD1-CB 4.33Å; P104-Q107 WeakPolarHBondContact O-CB 3.29Å; P104-Q107 PolarHBondContact O-N 2.88Å; I105-Q107 PolarHBondContact O-N 3.45Å; Q107-T109 VanDerWaalsContact C-N 3.32Å; Q107-T109 PolarHBondContact O-N 3.09Å; Q107-K110 PolarHBondContact O-N 3.03Å; Q107-K111 WeakPolarHBondContact O-CG 3.35Å; Q107-K111 PolarHBondContact O-N 3.44Å
108	G	87	Confident	86.7	Confident	5 Å²	5	73.9 Å²	73.9	5%	0.052	36%	0.364	C	S	.	.	H	α-helix	trans	-59.9	-42.9	173.7	0	0	0	0	0	112.1	P104 I105 K110 K111 L112	P104-G108 PolarHBondContact O-N 2.87Å; I105-G108 PolarHBondContact O-N 3.19Å; G108-K110 PolarHBondContact O-N 2.81Å; G108-K111 PolarHBondContact O-N 3.2Å; G108-L112 WeakPolarHBondContact O-CB 3.42Å; G108-L112 PolarHBondContact O-N 3.31Å
109	T	83.3	Confident	86.6	Confident	57 Å²	57	72.4 Å²	72.4	35%	0.35	36%	0.357	S	S	.	.	H	α-helix	trans	-61.7	-44.2	176	-55	0	0	0	0	111.2	I105 W106 Q107 L112 Q113 F219	I105-T109 WeakPolarHBondContact O-CB 3.46Å; I105-T109 PolarHBondContact O-N 3.14Å; I105-T109 PolarHBondContact O-OG1 2.83Å; W106-T109 PolarHBondContact O-N 2.86Å; Q107-T109 VanDerWaalsContact C-N 3.32Å; Q107-T109 PolarHBondContact O-N 3.09Å; T109-L112 PolarHBondContact O-N 3.18Å; T109-Q113 WeakPolarHBondContact O-CB 3.34Å; T109-Q113 PolarHBondContact O-N 2.94Å; T109-F219 HydrophobicContact CG2-CZ 3.89Å
110	K	85.9	Confident	86.4	Confident	113 Å²	113	71 Å²	71	49%	0.491	35%	0.348	S	S	.	.	H	α-helix	trans	-62.2	-44.1	176.5	-169.8	-171.8	179.1	-162.2	0	111.9	W106 Q107 G108 L112 Q113 E114	W106-K110 WeakPolarHBondContact O-CB 3.47Å; W106-K110 PolarHBondContact O-N 3Å; Q107-K110 PolarHBondContact O-N 3.03Å; G108-K110 PolarHBondContact O-N 2.81Å; K110-L112 PolarHBondContact O-N 3.28Å; K110-Q113 WeakPolarHBondContact O-CB 3.21Å; K110-Q113 PolarHBondContact O-N 3.13Å; K110-E114 WeakPolarHBondContact CE-OE1 3.36Å; K110-E114 IonicContact NZ-OE1 2.79Å; K110-E114 WeakPolarHBondContact O-CG 3.25Å; K110-E114 PolarHBondContact O-N 3.49Å
111	K	88.7	Confident	86.2	Confident	87 Å²	87	71.3 Å²	71.3	38%	0.378	36%	0.355	S	S	.	.	H	α-helix	trans	-61.3	-43.3	177	-79	-76.7	161.1	-146	0	112.3	L103 Q107 G108 Q113 E114 F115	L103-K111 HydrophobicContact CD1-CG 4.2Å; Q107-K111 WeakPolarHBondContact O-CG 3.35Å; Q107-K111 PolarHBondContact O-N 3.44Å; G108-K111 PolarHBondContact O-N 3.2Å; K111-Q113 VanDerWaalsContact C-N 3.33Å; K111-E114 IonicContact NZ-OE2 3.12Å; K111-E114 PolarHBondContact NZ-OE2 3.43Å; K111-E114 PolarHBondContact O-N 2.99Å; K111-F115 PolarHBondContact O-N 2.99Å
112	L	84.4	Confident	86.1	Confident	53 Å²	53	70.4 Å²	70.4	28%	0.277	35%	0.348	S	S	.	.	H	α-helix	trans	-65.3	-38.7	176.5	-173	63.1	0	0	0	111.7	I100 G108 T109 K110 F115 F116	I100-L112 HydrophobicContact CD1-CB 4.33Å; G108-L112 WeakPolarHBondContact O-CB 3.42Å; G108-L112 PolarHBondContact O-N 3.31Å; T109-L112 PolarHBondContact O-N 3.18Å; K110-L112 PolarHBondContact O-N 3.28Å; L112-F115 PolarHBondContact O-N 3.39Å; L112-F116 HydrophobicContact CD1-CD2 4.13Å; L112-F116 HydrophobicContact CD1-CE2 3.57Å; L112-F116 HydrophobicContact CD1-CZ 4.24Å; L112-F116 HydrophobicContact CD2-CE2 4.07Å; L112-F116 HydrophobicContact CG-CD2 3.9Å; L112-F116 HydrophobicContact CG-CE2 3.55Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 3.43Å
113	Q	83	Confident	86.1	Confident	80 Å²	80	65.4 Å²	65.4	37%	0.374	32%	0.32	S	S	.	.	H	α-helix	trans	-64.3	-44.9	174.7	-170.2	-175.2	11.7	0	0	111.9	T109 K110 K111 F115 F116 F117	T109-Q113 WeakPolarHBondContact O-CB 3.34Å; T109-Q113 PolarHBondContact O-N 2.94Å; K110-Q113 WeakPolarHBondContact O-CB 3.21Å; K110-Q113 PolarHBondContact O-N 3.13Å; K111-Q113 VanDerWaalsContact C-N 3.33Å; Q113-F115 VanDerWaalsContact C-N 3.31Å; Q113-F115 PolarHBondContact O-N 2.96Å; Q113-F116 PolarHBondContact O-N 3.32Å; Q113-F117 HydrophobicContact CG-CD2 4.05Å; Q113-F117 HydrophobicContact CG-CE2 3.46Å; Q113-F117 VanDerWaalsContact CG-CE2 3.46Å; Q113-F117 HydrophobicContact CG-CZ 3.75Å; Q113-F117 VanDerWaalsContact NE2-CZ 3.34Å; Q113-F117 VanDerWaalsContact O-CD2 3.28Å; Q113-F117 WeakPolarHBondContact O-CD2 3.41Å; Q113-F117 WeakPolarHBondContact O-CG 3.3Å; Q113-F117 PolarHBondContact O-N 2.95Å
114	E	86.3	Confident	86.1	Confident	66 Å²	66	64.4 Å²	64.4	31%	0.308	31%	0.314	S	S	.	.	H	α-helix	trans	-56.2	-44.8	174.1	-74.4	168.6	-174.8	0	0	111.3	K110 K111 F117 Q118	K110-E114 WeakPolarHBondContact CE-OE1 3.36Å; K110-E114 IonicContact NZ-OE1 2.79Å; K110-E114 WeakPolarHBondContact O-CG 3.25Å; K110-E114 PolarHBondContact O-N 3.49Å; K111-E114 IonicContact NZ-OE2 3.12Å; K111-E114 PolarHBondContact NZ-OE2 3.43Å; K111-E114 PolarHBondContact O-N 2.99Å; E114-F117 PolarHBondContact O-N 3.43Å; E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 3.39Å
115	F	87.6	Confident	85.9	Confident	7 Å²	7	65.4 Å²	65.4	3%	0.031	32%	0.316	C	S	.	.	H	α-helix	trans	-60.5	-48.7	176.1	175.5	-94	0	0	0	112.2	H88 E91 L92 L95 K111 L112 Q113 F117 Q118 L119	H88-F115 HydrophobicContact CB-CE2 4.4Å; H88-F115 HydrophobicContact CB-CZ 4.41Å; H88-F115 AromaticContact ND1-CE2 3.98Å; E91-F115 HydrophobicContact CB-CE2 4.22Å; E91-F115 HydrophobicContact CG-CD2 4.07Å; E91-F115 HydrophobicContact CG-CE2 4.14Å; L92-F115 HydrophobicContact CB-CE1 4.19Å; L92-F115 HydrophobicContact CB-CE2 4.1Å; L92-F115 HydrophobicContact CB-CZ 3.67Å; L92-F115 HydrophobicContact CD1-CD1 4.23Å; L92-F115 HydrophobicContact CD1-CE1 3.84Å; L92-F115 HydrophobicContact CD1-CZ 4.21Å; L92-F115 HydrophobicContact CD2-CE1 4.48Å; L92-F115 HydrophobicContact CG-CE1 4.39Å; L92-F115 HydrophobicContact CG-CZ 4.34Å; L95-F115 HydrophobicContact CD1-CB 3.9Å; L95-F115 HydrophobicContact CD1-CD2 3.81Å; L95-F115 HydrophobicContact CD1-CG 4.01Å; K111-F115 PolarHBondContact O-N 2.99Å; L112-F115 PolarHBondContact O-N 3.39Å; Q113-F115 VanDerWaalsContact C-N 3.31Å; Q113-F115 PolarHBondContact O-N 2.96Å; F115-F117 VanDerWaalsContact C-N 3.32Å; F115-F117 PolarHBondContact O-N 3.38Å; F115-Q118 PolarHBondContact O-N 3.46Å; F115-L119 HydrophobicContact CE1-CD2 4.29Å; F115-L119 PolarHBondContact O-N 3.4Å
116	F	84.2	Confident	86.1	Confident	73 Å²	73	58.4 Å²	58.4	32%	0.32	28%	0.28	S	S	.	.	H	α-helix	trans	-64.3	-35.4	179.4	-77.6	-59.7	0	0	0	112.7	L112 Q113 Q118 L119 T120 M176	L112-F116 HydrophobicContact CD1-CD2 4.13Å; L112-F116 HydrophobicContact CD1-CE2 3.57Å; L112-F116 HydrophobicContact CD1-CZ 4.24Å; L112-F116 HydrophobicContact CD2-CE2 4.07Å; L112-F116 HydrophobicContact CG-CD2 3.9Å; L112-F116 HydrophobicContact CG-CE2 3.55Å; L112-F116 WeakPolarHBondContact O-CD2 3.42Å; L112-F116 PolarHBondContact O-N 3.43Å; Q113-F116 PolarHBondContact O-N 3.32Å; F116-Q118 PolarHBondContact O-N 2.93Å; F116-L119 HydrophobicContact CD1-CD2 4.3Å; F116-L119 WeakPolarHBondContact O-CB 3.45Å; F116-L119 PolarHBondContact O-N 2.91Å; F116-T120 PolarHBondContact O-N 2.97Å; F116-T120 PolarHBondContact O-OG1 2.65Å; F116-M176 HydrophobicContact CE2-CE 3.67Å; F116-M176 HydrophobicContact CZ-CE 3.57Å
117	F	83.3	Confident	86.5	Confident	68 Å²	68	50.3 Å²	50.3	30%	0.298	25%	0.249	S	C	.	.	H	α-helix	trans	-63.1	-40.3	174.2	-71.2	-39.4	0	0	0	113.1	Q113 E114 F115 L119 T120 S121 Y227	Q113-F117 HydrophobicContact CG-CD2 4.05Å; Q113-F117 HydrophobicContact CG-CE2 3.46Å; Q113-F117 VanDerWaalsContact CG-CE2 3.46Å; Q113-F117 HydrophobicContact CG-CZ 3.75Å; Q113-F117 VanDerWaalsContact NE2-CZ 3.34Å; Q113-F117 VanDerWaalsContact O-CD2 3.28Å; Q113-F117 WeakPolarHBondContact O-CD2 3.41Å; Q113-F117 WeakPolarHBondContact O-CG 3.3Å; Q113-F117 PolarHBondContact O-N 2.95Å; E114-F117 PolarHBondContact O-N 3.43Å; F115-F117 VanDerWaalsContact C-N 3.32Å; F115-F117 PolarHBondContact O-N 3.38Å; F117-L119 VanDerWaalsContact C-N 3.31Å; F117-T120 PolarHBondContact O-N 3.42Å; F117-S121 PolarHBondContact O-N 3.45Å; F117-Y227 AromaticContact CD1-CD1 3.59Å; F117-Y227 HydrophobicContact CD1-CD1 3.59Å; F117-Y227 AromaticContact CD1-CE1 3.36Å; F117-Y227 HydrophobicContact CD1-CE1 3.36Å; F117-Y227 HydrophobicContact CD1-CG 4.45Å; F117-Y227 AromaticContact CE1-CD1 3.02Å; F117-Y227 HydrophobicContact CE1-CD1 3.02Å; F117-Y227 HydrophobicContact CE1-CD2 4.16Å; F117-Y227 AromaticContact CE1-CE1 3.24Å; F117-Y227 HydrophobicContact CE1-CE1 3.24Å; F117-Y227 HydrophobicContact CE1-CE2 4.35Å; F117-Y227 AromaticContact CE1-CG 3.5Å; F117-Y227 HydrophobicContact CE1-CG 3.5Å; F117-Y227 AromaticContact CE1-CZ 3.91Å; F117-Y227 HydrophobicContact CG-CE1 4.37Å; F117-Y227 AromaticContact CZ-CD1 3.89Å; F117-Y227 HydrophobicContact CZ-CD1 3.89Å; F117-Y227 HydrophobicContact CZ-CD2 4.24Å; F117-Y227 HydrophobicContact CZ-CE1 4.07Å; F117-Y227 HydrophobicContact CZ-CE2 4.43Å; F117-Y227 AromaticContact CZ-CG 3.93Å; F117-Y227 HydrophobicContact CZ-CG 3.93Å
118	Q	84.1	Confident	86.7	Confident	96 Å²	96	50.5 Å²	50.5	45%	0.449	25%	0.247	S	C	.	.	H	α-helix	trans	-63.7	-42.2	174.2	-68.7	176.5	-0.4	0	0	110.6	E114 F115 F116 T120 S121 V122	E114-Q118 WeakPolarHBondContact O-CG 3.38Å; E114-Q118 PolarHBondContact O-N 3.39Å; F115-Q118 PolarHBondContact O-N 3.46Å; F116-Q118 PolarHBondContact O-N 2.93Å; Q118-T120 VanDerWaalsContact C-N 3.34Å; Q118-T120 PolarHBondContact O-N 2.85Å; Q118-S121 PolarHBondContact O-N 2.92Å; Q118-S121 VanDerWaalsContact O-N 3.17Å; Q118-S121 PolarHBondContact O-OG 3.19Å; Q118-V122 PolarHBondContact O-N 3.15Å
119	L	84.7	Confident	86.8	Confident	30 Å²	30	53 Å²	53	16%	0.157	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-38.4	178.4	-165.1	67.1	0	0	0	112.7	F115 F116 F117 S121 V122 F123	F115-L119 HydrophobicContact CE1-CD2 4.29Å; F115-L119 PolarHBondContact O-N 3.4Å; F116-L119 HydrophobicContact CD1-CD2 4.3Å; F116-L119 WeakPolarHBondContact O-CB 3.45Å; F116-L119 PolarHBondContact O-N 2.91Å; F117-L119 VanDerWaalsContact C-N 3.31Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 PolarHBondContact O-N 3.46Å; L119-V122 PolarHBondContact O-N 2.85Å; L119-V122 VanDerWaalsContact O-N 3.15Å; L119-F123 HydrophobicContact CD1-CE1 3.97Å; L119-F123 HydrophobicContact CD1-CE2 4.44Å; L119-F123 HydrophobicContact CD1-CZ 3.85Å; L119-F123 HydrophobicContact CD2-CE2 3.72Å; L119-F123 HydrophobicContact CD2-CZ 3.62Å; L119-F123 HydrophobicContact CG-CD2 4.22Å; L119-F123 HydrophobicContact CG-CE1 4.03Å; L119-F123 HydrophobicContact CG-CE2 3.62Å; L119-F123 HydrophobicContact CG-CZ 3.5Å; L119-F123 WeakPolarHBondContact O-CG 3.42Å; L119-F123 PolarHBondContact O-N 2.86Å
120	T	86.9	Confident	87.3	Confident	15 Å²	15	50.3 Å²	50.3	9%	0.092	24%	0.243	C	C	.	.	H	α-helix	trans	-56.6	-41.1	174.6	-62.9	0	0	0	0	111.4	F116 F117 Q118 F123 E124 D228 F231 W232	F116-T120 PolarHBondContact O-N 2.97Å; F116-T120 PolarHBondContact O-OG1 2.65Å; F117-T120 PolarHBondContact O-N 3.42Å; Q118-T120 VanDerWaalsContact C-N 3.34Å; Q118-T120 PolarHBondContact O-N 2.85Å; T120-F123 PolarHBondContact O-N 3.31Å; T120-E124 PolarHBondContact O-N 3.14Å; T120-D228 WeakPolarHBondContact CG2-OD1 3.21Å; T120-D228 PolarHBondContact OG1-OD1 3.18Å; T120-F231 HydrophobicContact CG2-CD1 3.51Å; T120-F231 HydrophobicContact CG2-CE1 3.4Å; T120-F231 VanDerWaalsContact CG2-CE1 3.4Å; T120-F231 HydrophobicContact CG2-CG 4.22Å; T120-F231 HydrophobicContact CG2-CZ 4Å; T120-W232 HydrophobicContact CG2-CZ2 4.18Å
121	S	84.1	Confident	87.7	Confident	55 Å²	55	45.5 Å²	45.5	39%	0.385	22%	0.222	S	C	.	.	H	α-helix	trans	-65.9	-38	177.8	71.9	0	0	0	0	113	F117 Q118 L119 E124 D125	F117-S121 PolarHBondContact O-N 3.45Å; Q118-S121 PolarHBondContact O-N 2.92Å; Q118-S121 VanDerWaalsContact O-N 3.17Å; Q118-S121 PolarHBondContact O-OG 3.19Å; L119-S121 VanDerWaalsContact C-N 3.27Å; L119-S121 PolarHBondContact O-N 3.46Å; S121-E124 WeakPolarHBondContact O-CB 3.36Å; S121-E124 PolarHBondContact O-N 3Å; S121-D125 PolarHBondContact O-N 3.45Å
122	V	85.9	Confident	87.9	Confident	31 Å²	31	46.6 Å²	46.6	19%	0.188	23%	0.225	C	C	.	.	H	α-helix	trans	-65.3	-41.1	175.2	174.1	0	0	0	0	111.1	I84 Q118 L119 E124 D125 L126	I84-V122 HydrophobicContact CG2-CG1 3.68Å; I84-V122 HydrophobicContact CG2-CG2 4.16Å; Q118-V122 PolarHBondContact O-N 3.15Å; L119-V122 PolarHBondContact O-N 2.85Å; L119-V122 VanDerWaalsContact O-N 3.15Å; V122-E124 VanDerWaalsContact C-N 3.34Å; V122-D125 PolarHBondContact O-N 2.96Å; V122-L126 PolarHBondContact O-N 3.22Å
123	F	88.9	Confident	88.4	Confident	28 Å²	28	46.7 Å²	46.7	12%	0.123	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-34.8	175.8	-64.9	-20.8	0	0	0	112.3	L119 T120 L126 C127 I154 W232	L119-F123 HydrophobicContact CD1-CE1 3.97Å; L119-F123 HydrophobicContact CD1-CE2 4.44Å; L119-F123 HydrophobicContact CD1-CZ 3.85Å; L119-F123 HydrophobicContact CD2-CE2 3.72Å; L119-F123 HydrophobicContact CD2-CZ 3.62Å; L119-F123 HydrophobicContact CG-CD2 4.22Å; L119-F123 HydrophobicContact CG-CE1 4.03Å; L119-F123 HydrophobicContact CG-CE2 3.62Å; L119-F123 HydrophobicContact CG-CZ 3.5Å; L119-F123 WeakPolarHBondContact O-CG 3.42Å; L119-F123 PolarHBondContact O-N 2.86Å; T120-F123 PolarHBondContact O-N 3.31Å; F123-L126 PolarHBondContact O-N 3Å; F123-C127 WeakPolarHBondContact O-CB 3.31Å; F123-C127 PolarHBondContact O-N 3Å; F123-I154 HydrophobicContact CD1-CG2 3.85Å; F123-I154 HydrophobicContact CE1-CD1 4.07Å; F123-I154 HydrophobicContact CE1-CG1 3.92Å; F123-I154 HydrophobicContact CE1-CG2 4.02Å; F123-I154 HydrophobicContact CE2-CG1 4.38Å; F123-I154 HydrophobicContact CG-CG2 4.12Å; F123-I154 HydrophobicContact CZ-CB 4.49Å; F123-I154 HydrophobicContact CZ-CD1 4.33Å; F123-I154 HydrophobicContact CZ-CG1 3.79Å; F123-I154 HydrophobicContact CZ-CG2 4.42Å; F123-W232 HydrophobicContact CB-CH2 3.94Å; F123-W232 HydrophobicContact CB-CZ2 3.93Å
124	E	89.3	Confident	88.9	Confident	34 Å²	34	48.9 Å²	48.9	16%	0.159	24%	0.236	C	C	.	.	H	α-helix	trans	-60.2	-49.1	172.1	-171	-164.7	176.9	0	0	110.8	T120 S121 V122 L126 C127 R128 F231 W232 F235	T120-E124 PolarHBondContact O-N 3.14Å; S121-E124 WeakPolarHBondContact O-CB 3.36Å; S121-E124 PolarHBondContact O-N 3Å; V122-E124 VanDerWaalsContact C-N 3.34Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-L126 PolarHBondContact O-N 3.22Å; E124-C127 WeakPolarHBondContact O-CB 3.22Å; E124-C127 PolarHBondContact O-N 3.07Å; E124-C127 VanDerWaalsContact O-N 3.11Å; E124-R128 WeakPolarHBondContact O-CG 3.47Å; E124-R128 PolarHBondContact O-N 3.36Å; E124-R128 IonicContact OE1-CZ 3.5Å; E124-R128 IonicContact OE1-NE 3.42Å; E124-R128 PolarHBondContact OE1-NE 2.69Å; E124-R128 IonicContact OE1-NH2 2.66Å; E124-R128 PolarHBondContact OE1-NH2 3.35Å; E124-F231 HydrophobicContact CB-CE1 4.09Å; E124-F231 HydrophobicContact CB-CZ 3.84Å; E124-F231 VanDerWaalsContact CD-CZ 3.46Å; E124-F231 HydrophobicContact CG-CE1 4.24Å; E124-F231 HydrophobicContact CG-CZ 3.85Å; E124-F231 WeakPolarHBondContact OE2-CZ 3.34Å; E124-W232 HydrophobicContact CB-CH2 4.47Å; E124-F235 HydrophobicContact CG-CD2 4.07Å; E124-F235 HydrophobicContact CG-CE2 4.17Å
125	D	88.1	Confident	89.3	Confident	86 Å²	86	50.7 Å²	50.7	46%	0.46	25%	0.251	S	S	.	.	H	α-helix	trans	-60.7	-43.3	178.1	-79.5	-22.5	0	0	0	111.8	S121 V122 C127 R128 N129	S121-D125 PolarHBondContact O-N 3.45Å; V122-D125 PolarHBondContact O-N 2.96Å; D125-C127 VanDerWaalsContact C-N 3.29Å; D125-C127 PolarHBondContact O-N 2.85Å; D125-R128 PolarHBondContact O-N 2.96Å; D125-N129 WeakPolarHBondContact O-CB 3.49Å; D125-N129 PolarHBondContact O-N 3.19Å; D125-N129 PolarHBondContact O-ND2 3.09Å
126	L	89.4	Confident	89.6	Confident	3 Å²	3	51 Å²	51	2%	0.016	25%	0.253	C	S	.	.	H	α-helix	trans	-55.6	-47.7	173.2	178.2	66.6	0	0	0	110.9	W29 Y58 I76 L78 V122 F123 E124 N129 V130 I154	W29-L126 HydrophobicContact CH2-CD2 4.25Å; W29-L126 HydrophobicContact CH2-CG 4.2Å; W29-L126 HydrophobicContact CZ2-CD2 3.96Å; W29-L126 HydrophobicContact CZ2-CG 4.37Å; Y58-L126 HydrophobicContact CD1-CD2 4.16Å; Y58-L126 HydrophobicContact CD2-CD2 4.45Å; Y58-L126 HydrophobicContact CG-CD1 4.06Å; Y58-L126 HydrophobicContact CG-CD2 4.08Å; I76-L126 HydrophobicContact CB-CD1 4.44Å; I76-L126 HydrophobicContact CD1-CD1 3.85Å; I76-L126 HydrophobicContact CG2-CD1 3.87Å; L78-L126 HydrophobicContact CD2-CD1 4.1Å; V122-L126 PolarHBondContact O-N 3.22Å; F123-L126 PolarHBondContact O-N 3Å; E124-L126 VanDerWaalsContact C-N 3.34Å; E124-L126 PolarHBondContact O-N 3.22Å; L126-N129 PolarHBondContact O-N 3.49Å; L126-V130 PolarHBondContact O-N 3.45Å; L126-I154 HydrophobicContact CD2-CG2 3.98Å
127	C	92.5	Very high	90.2	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.24	C	C	.	.	H	α-helix	trans	-64.5	-43.3	-179.4	-167	0	0	0	0	112.5	F123 E124 D125 V130 L131 C156 F235	F123-C127 WeakPolarHBondContact O-CB 3.31Å; F123-C127 PolarHBondContact O-N 3Å; E124-C127 WeakPolarHBondContact O-CB 3.22Å; E124-C127 PolarHBondContact O-N 3.07Å; E124-C127 VanDerWaalsContact O-N 3.11Å; D125-C127 VanDerWaalsContact C-N 3.29Å; D125-C127 PolarHBondContact O-N 2.85Å; C127-V130 PolarHBondContact O-N 3.49Å; C127-L131 WeakPolarHBondContact O-CB 3.22Å; C127-L131 PolarHBondContact O-N 3.45Å; C127-L131 WeakPolarHBondContact SG-CD1 3.48Å; C127-C156 WeakPolarHBondContact CA-SG 3.13Å; C127-C156 HydrophobicContact CB-CB 3.51Å; C127-C156 WeakPolarHBondContact CB-SG 3.47Å; C127-C156 WeakPolarHBondContact SG-CB 3.48Å; C127-C156 CovalentContact SG-SG 2.02Å; C127-C156 PolarHBondContact SG-SG 2.94Å; C127-F235 HydrophobicContact CB-CE1 4.15Å; C127-F235 HydrophobicContact CB-CZ 4.25Å; C127-F235 WeakPolarHBondContact SG-CE1 3.36Å
128	R	92.6	Very high	90.8	Very high	73 Å²	73	51.5 Å²	51.5	28%	0.275	25%	0.251	S	S	.	.	H	α-helix	trans	-60.6	-44.8	175.6	-74.5	178.1	179.7	-76.6	-0.8	111.7	E124 D125 V130 L131 Y132 F235	E124-R128 WeakPolarHBondContact O-CG 3.47Å; E124-R128 PolarHBondContact O-N 3.36Å; E124-R128 IonicContact OE1-CZ 3.5Å; E124-R128 IonicContact OE1-NE 3.42Å; E124-R128 PolarHBondContact OE1-NE 2.69Å; E124-R128 IonicContact OE1-NH2 2.66Å; E124-R128 PolarHBondContact OE1-NH2 3.35Å; D125-R128 PolarHBondContact O-N 2.96Å; R128-V130 PolarHBondContact O-N 2.83Å; R128-L131 PolarHBondContact O-N 3.46Å; R128-Y132 HydrophobicContact CB-CD2 4.46Å; R128-Y132 HydrophobicContact CG-CD2 4.47Å; R128-Y132 HydrophobicContact CG-CE2 4.33Å; R128-Y132 VanDerWaalsContact NH1-CE2 3.28Å; R128-Y132 VanDerWaalsContact O-CB 3.3Å; R128-Y132 WeakPolarHBondContact O-CB 3.38Å; R128-Y132 PolarHBondContact O-N 3.48Å; R128-F235 HydrophobicContact CG-CE2 3.5Å; R128-F235 HydrophobicContact CG-CZ 3.79Å
129	N	90.1	Very high	91.3	Very high	59 Å²	59	51.6 Å²	51.6	32%	0.316	25%	0.25	S	C	.	.	H	α-helix	trans	-63.7	-29.2	179.6	-80.9	-71.8	0	0	0	112.9	P77 L78 D125 L126 N133	P77-N129 PolarHBondContact O-OD1 2.81Å; L78-N129 WeakPolarHBondContact CD1-ND2 3.48Å; D125-N129 WeakPolarHBondContact O-CB 3.49Å; D125-N129 PolarHBondContact O-N 3.19Å; D125-N129 PolarHBondContact O-ND2 3.09Å; L126-N129 PolarHBondContact O-N 3.49Å; N129-N133 WeakPolarHBondContact O-CB 3.15Å
130	V	93.1	Very high	91.9	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-77.9	-60.3	172.4	175.1	0	0	0	0	110.5	W29 I76 L126 C127 R128 Y132 N133 F136 M137 V160	W29-V130 HydrophobicContact CH2-CG2 4.23Å; W29-V130 HydrophobicContact CZ3-CG1 4.45Å; W29-V130 HydrophobicContact CZ3-CG2 4.06Å; I76-V130 HydrophobicContact CB-CG2 4.35Å; I76-V130 HydrophobicContact CD1-CG2 3.67Å; I76-V130 HydrophobicContact CG1-CG2 3.87Å; I76-V130 HydrophobicContact CG2-CG2 3.55Å; L126-V130 PolarHBondContact O-N 3.45Å; C127-V130 PolarHBondContact O-N 3.49Å; R128-V130 PolarHBondContact O-N 2.83Å; V130-Y132 PolarHBondContact O-N 3.32Å; V130-N133 PolarHBondContact O-N 2.72Å; V130-F136 HydrophobicContact CG1-CD1 4.14Å; V130-F136 HydrophobicContact CG1-CE1 4.05Å; V130-F136 HydrophobicContact CG2-CE1 4.32Å; V130-M137 HydrophobicContact CG1-SD 3.94Å; V130-M137 VanDerWaalsContact O-CG 3.22Å; V130-M137 WeakPolarHBondContact O-CG 3.44Å; V130-V160 HydrophobicContact CG1-CG2 3.81Å
131	L	94.8	Very high	92.3	Very high	12 Å²	12	56.4 Å²	56.4	6%	0.063	26%	0.264	C	S	.	.	H	α-helix	trans	-70.8	-34.3	-167.8	-70.8	171.9	0	0	0	113.7	C127 R128 M137 L159 V160 V163 F235 T239	C127-L131 WeakPolarHBondContact O-CB 3.22Å; C127-L131 PolarHBondContact O-N 3.45Å; C127-L131 WeakPolarHBondContact SG-CD1 3.48Å; R128-L131 PolarHBondContact O-N 3.46Å; L131-M137 HydrophobicContact CD2-CE 4Å; L131-M137 HydrophobicContact CD2-SD 4.21Å; L131-L159 HydrophobicContact CD1-CB 4.44Å; L131-L159 HydrophobicContact CD1-CD2 3.38Å; L131-L159 HydrophobicContact CD1-CG 3.69Å; L131-V160 HydrophobicContact CD2-CB 4.48Å; L131-V160 HydrophobicContact CD2-CG2 3.78Å; L131-V160 HydrophobicContact CG-CG2 4.19Å; L131-V163 HydrophobicContact CD2-CB 4.34Å; L131-V163 HydrophobicContact CD2-CG2 4.12Å; L131-F235 HydrophobicContact CD1-CE1 4.29Å; L131-T239 HydrophobicContact CB-CG2 4.43Å; L131-T239 HydrophobicContact CD1-CG2 3.87Å
132	Y	93.7	Very high	92.9	Very high	110 Å²	110	59 Å²	59	43%	0.431	27%	0.274	S	S	.	.	S	Bend	trans	-90.3	-10.5	-177.1	-64	-4.5	0	0	0	112.8	R128 V130 Q134 T239	R128-Y132 HydrophobicContact CB-CD2 4.46Å; R128-Y132 HydrophobicContact CG-CD2 4.47Å; R128-Y132 HydrophobicContact CG-CE2 4.33Å; R128-Y132 VanDerWaalsContact NH1-CE2 3.28Å; R128-Y132 VanDerWaalsContact O-CB 3.3Å; R128-Y132 WeakPolarHBondContact O-CB 3.38Å; R128-Y132 PolarHBondContact O-N 3.48Å; V130-Y132 PolarHBondContact O-N 3.32Å; Y132-Q134 PolarHBondContact O-N 2.93Å; Y132-Q134 VanDerWaalsContact O-N 3.08Å; Y132-T239 HydrophobicContact CE1-CG2 4.17Å
133	N	94.1	Very high	93.4	Very high	55 Å²	55	59 Å²	59	29%	0.294	27%	0.274	S	S	.	.			trans	-78.8	94.1	171.3	-170.9	-35.1	0	0	0	110.4	P77 N129 V130 T135 F136 M137	P77-N133 WeakPolarHBondContact CG-ND2 3.43Å; N129-N133 WeakPolarHBondContact O-CB 3.15Å; V130-N133 PolarHBondContact O-N 2.72Å; N133-T135 VanDerWaalsContact C-N 3.26Å; N133-T135 PolarHBondContact O-N 2.85Å; N133-T135 PolarHBondContact OD1-N 3.39Å; N133-F136 HydrophobicContact CB-CB 3.81Å; N133-F136 PolarHBondContact O-N 3.19Å; N133-F136 VanDerWaalsContact O-N 3.11Å; N133-F136 PolarHBondContact OD1-N 2.84Å; N133-M137 PolarHBondContact O-N 2.99Å
134	Q	93.6	Very high	93.7	Very high	126 Å²	126	65.5 Å²	65.5	59%	0.589	30%	0.302	S	S	*	.	H	α-helix	trans	-57.8	-36.3	-177.8	-65.3	-62.4	-29.9	0	0	113.3	Y132 R138	Y132-Q134 PolarHBondContact O-N 2.93Å; Y132-Q134 VanDerWaalsContact O-N 3.08Å; Q134-R138 WeakPolarHBondContact O-CB 3.4Å; Q134-R138 PolarHBondContact O-N 3.12Å
135	T	94.6	Very high	94.1	Very high	103 Å²	103	64.8 Å²	64.8	63%	0.632	30%	0.298	S	S	*	.	H	α-helix	trans	-67.4	-44	177.9	-56.8	0	0	0	0	110.6	N133 K139	N133-T135 VanDerWaalsContact C-N 3.26Å; N133-T135 PolarHBondContact O-N 2.85Å; N133-T135 PolarHBondContact OD1-N 3.39Å; T135-K139 PolarHBondContact O-N 2.87Å
136	F	94.4	Very high	94.6	Very high	15 Å²	15	62.7 Å²	62.7	7%	0.066	29%	0.287	C	S	.	.	H	α-helix	trans	-66.1	-49.7	178.5	-166.5	-106.7	0	0	0	111.9	L56 E74 I76 V130 N133 R138 K139 L140	L56-F136 HydrophobicContact CD2-CE1 4.3Å; L56-F136 HydrophobicContact CD2-CZ 3.9Å; E74-F136 HydrophobicContact CG-CE2 3.62Å; E74-F136 HydrophobicContact CG-CZ 3.89Å; I76-F136 HydrophobicContact CG1-CZ 4.32Å; V130-F136 HydrophobicContact CG1-CD1 4.14Å; V130-F136 HydrophobicContact CG1-CE1 4.05Å; V130-F136 HydrophobicContact CG2-CE1 4.32Å; N133-F136 HydrophobicContact CB-CB 3.81Å; N133-F136 PolarHBondContact O-N 3.19Å; N133-F136 VanDerWaalsContact O-N 3.11Å; N133-F136 PolarHBondContact OD1-N 2.84Å; F136-R138 VanDerWaalsContact C-N 3.3Å; F136-R138 PolarHBondContact O-N 3.26Å; F136-K139 WeakPolarHBondContact O-CB 3.47Å; F136-K139 PolarHBondContact O-N 2.84Å; F136-K139 VanDerWaalsContact O-N 3.13Å; F136-L140 HydrophobicContact CD1-CD1 4.02Å; F136-L140 HydrophobicContact CD1-CG 4.37Å; F136-L140 HydrophobicContact CE1-CD1 3.73Å; F136-L140 HydrophobicContact CE1-CG 4.23Å; F136-L140 HydrophobicContact CZ-CD1 4.5Å; F136-L140 WeakPolarHBondContact O-CG 3.45Å; F136-L140 PolarHBondContact O-N 3.37Å
137	M	95.5	Very high	95	Very high	8 Å²	8	62.6 Å²	62.6	4%	0.039	29%	0.286	C	S	.	.	H	α-helix	trans	-63.7	-34.5	177.7	-73.2	-57.2	-66.4	0	0	112.9	V130 L131 N133 L140 R141 V163 L164	V130-M137 HydrophobicContact CG1-SD 3.94Å; V130-M137 VanDerWaalsContact O-CG 3.22Å; V130-M137 WeakPolarHBondContact O-CG 3.44Å; L131-M137 HydrophobicContact CD2-CE 4Å; L131-M137 HydrophobicContact CD2-SD 4.21Å; N133-M137 PolarHBondContact O-N 2.99Å; M137-L140 PolarHBondContact O-N 2.96Å; M137-L140 HydrophobicContact SD-CD1 4.14Å; M137-R141 WeakPolarHBondContact O-CB 3.43Å; M137-R141 PolarHBondContact O-N 3.17Å; M137-V163 HydrophobicContact CE-CB 4.22Å; M137-V163 HydrophobicContact CE-CG1 3.63Å; M137-L164 HydrophobicContact CE-CD2 3.69Å; M137-L164 HydrophobicContact CE-CG 3.93Å
138	R	95.9	Very high	95.3	Very high	143 Å²	143	62.6 Å²	62.6	54%	0.54	29%	0.286	S	S	.	.	H	α-helix	trans	-63.7	-45.9	172.5	-171.8	-179.6	-58.7	129.5	4.9	110.9	Q134 F136 L140 R141 D142	Q134-R138 WeakPolarHBondContact O-CB 3.4Å; Q134-R138 PolarHBondContact O-N 3.12Å; F136-R138 VanDerWaalsContact C-N 3.3Å; F136-R138 PolarHBondContact O-N 3.26Å; R138-L140 PolarHBondContact O-N 2.88Å; R138-R141 PolarHBondContact O-N 3.41Å; R138-D142 WeakPolarHBondContact O-CB 3.44Å; R138-D142 PolarHBondContact O-N 2.87Å
139	K	95.6	Very high	95.6	Very high	97 Å²	97	59.1 Å²	59.1	42%	0.422	27%	0.273	S	S	.	.	H	α-helix	trans	-56.2	-48.3	174.4	-179.9	178.7	174.7	-179.8	0	111.5	E74 T135 F136 R141 D142 T143	E74-K139 WeakPolarHBondContact OE1-CE 3.44Å; E74-K139 IonicContact OE1-NZ 3.26Å; E74-K139 PolarHBondContact OE1-NZ 2.82Å; E74-K139 WeakPolarHBondContact OE2-CE 3.41Å; E74-K139 IonicContact OE2-NZ 2.63Å; E74-K139 PolarHBondContact OE2-NZ 2.97Å; T135-K139 PolarHBondContact O-N 2.87Å; F136-K139 WeakPolarHBondContact O-CB 3.47Å; F136-K139 PolarHBondContact O-N 2.84Å; F136-K139 VanDerWaalsContact O-N 3.13Å; K139-R141 VanDerWaalsContact C-N 3.32Å; K139-R141 PolarHBondContact O-N 3.19Å; K139-D142 PolarHBondContact O-N 3.4Å; K139-T143 PolarHBondContact O-N 3.11Å; K139-T143 PolarHBondContact O-OG1 3.49Å; K139-T143 VanDerWaalsContact O-OG1 3.05Å
140	L	96.4	Very high	96	Very high	3 Å²	3	56.3 Å²	56.3	2%	0.016	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-39.3	178.6	-63.6	-175.2	0	0	0	112.6	L27 L56 F136 M137 R138 Y145 L164	L27-L140 HydrophobicContact CD1-CD2 4.26Å; L27-L140 HydrophobicContact CD2-CD1 4.43Å; L27-L140 HydrophobicContact CD2-CD2 4.49Å; L56-L140 HydrophobicContact CD1-CD1 4.44Å; L56-L140 HydrophobicContact CD2-CD2 4.08Å; F136-L140 HydrophobicContact CD1-CD1 4.02Å; F136-L140 HydrophobicContact CD1-CG 4.37Å; F136-L140 HydrophobicContact CE1-CD1 3.73Å; F136-L140 HydrophobicContact CE1-CG 4.23Å; F136-L140 HydrophobicContact CZ-CD1 4.5Å; F136-L140 WeakPolarHBondContact O-CG 3.45Å; F136-L140 PolarHBondContact O-N 3.37Å; M137-L140 PolarHBondContact O-N 2.96Å; M137-L140 HydrophobicContact SD-CD1 4.14Å; R138-L140 PolarHBondContact O-N 2.88Å; L140-Y145 HydrophobicContact CD2-CE2 4.15Å; L140-Y145 WeakPolarHBondContact O-CD2 3.44Å; L140-L164 HydrophobicContact CB-CD1 4.01Å; L140-L164 HydrophobicContact CB-CD2 4.14Å; L140-L164 HydrophobicContact CD1-CD1 4.42Å
141	R	96.6	Very high	96.1	Very high	143 Å²	143	56.3 Å²	56.3	54%	0.54	26%	0.258	S	S	.	.	H	α-helix	trans	-66.8	-43.5	177.2	-172.3	176.5	-63.9	-149	-5.2	112.3	M137 R138 K139 T143 K144 V163 L164	M137-R141 WeakPolarHBondContact O-CB 3.43Å; M137-R141 PolarHBondContact O-N 3.17Å; R138-R141 PolarHBondContact O-N 3.41Å; K139-R141 VanDerWaalsContact C-N 3.32Å; K139-R141 PolarHBondContact O-N 3.19Å; R141-T143 VanDerWaalsContact C-N 3.28Å; R141-T143 PolarHBondContact O-N 3.41Å; R141-K144 PolarHBondContact O-N 2.74Å; R141-V163 PolarHBondContact NH2-O 3.02Å; R141-L164 HydrophobicContact CB-CD2 4.02Å
142	D	96.3	Very high	96	Very high	109 Å²	109	55.9 Å²	55.9	58%	0.583	26%	0.257	S	S	*	.	H	α-helix	trans	-68.6	-27.2	-177.3	-69.1	-16.7	0	0	0	112.4	R138 K139 K144	R138-D142 WeakPolarHBondContact O-CB 3.44Å; R138-D142 PolarHBondContact O-N 2.87Å; K139-D142 PolarHBondContact O-N 3.4Å; D142-K144 PolarHBondContact O-N 3.34Å
143	T	95.9	Very high	95.9	Very high	31 Å²	31	53.5 Å²	53.5	19%	0.19	25%	0.253	C	S	.	.	H	α-helix	trans	-65	-26.8	175.2	-58.1	0	0	0	0	113.1	K25 K139 R141 Y145	K25-T143 HydrophobicContact CD-CG2 4.01Å; K25-T143 WeakPolarHBondContact CD-O 3.28Å; K25-T143 PolarHBondContact NZ-O 3.17Å; K139-T143 PolarHBondContact O-N 3.11Å; K139-T143 PolarHBondContact O-OG1 3.49Å; K139-T143 VanDerWaalsContact O-OG1 3.05Å; R141-T143 VanDerWaalsContact C-N 3.28Å; R141-T143 PolarHBondContact O-N 3.41Å; T143-Y145 HydrophobicContact CG2-CD1 4.21Å; T143-Y145 HydrophobicContact CG2-CD2 4.26Å; T143-Y145 HydrophobicContact CG2-CE1 3.67Å; T143-Y145 HydrophobicContact CG2-CE2 3.74Å; T143-Y145 HydrophobicContact CG2-CG 4.49Å; T143-Y145 VanDerWaalsContact CG2-CZ 3.42Å
144	K	95.6	Very high	95.6	Very high	165 Å²	165	51 Å²	51	72%	0.717	24%	0.24	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.7	67	-179.2	-60.1	177.5	-178.2	178.7	0	113	R141 D142	R141-K144 PolarHBondContact O-N 2.74Å; D142-K144 PolarHBondContact O-N 3.34Å
145	Y	97.8	Very high	95.5	Very high	20 Å²	20	45.4 Å²	45.4	8%	0.078	22%	0.215	C	C	.	.			trans	-66.6	143.9	175.2	-63.7	-77.7	0	0	0	112	K25 L27 T54 L140 T143	K25-Y145 HydrophobicContact CB-CD1 3.82Å; K25-Y145 HydrophobicContact CB-CE1 4.47Å; L27-Y145 HydrophobicContact CB-CD1 3.62Å; L27-Y145 HydrophobicContact CB-CD2 3.8Å; L27-Y145 HydrophobicContact CB-CE1 3.89Å; L27-Y145 HydrophobicContact CB-CE2 4.04Å; L27-Y145 HydrophobicContact CB-CG 3.57Å; L27-Y145 HydrophobicContact CD1-CE1 4.33Å; L27-Y145 HydrophobicContact CD1-CE2 3.96Å; L27-Y145 HydrophobicContact CD2-CD2 3.88Å; L27-Y145 HydrophobicContact CD2-CE2 3.95Å; L27-Y145 HydrophobicContact CD2-CG 4.47Å; L27-Y145 HydrophobicContact CG-CD2 4.29Å; L27-Y145 HydrophobicContact CG-CE2 4.22Å; T54-Y145 WeakPolarHBondContact CB-OH 3.23Å; T54-Y145 WeakPolarHBondContact CG2-OH 3.32Å; T54-Y145 PolarHBondContact OG1-OH 3.01Å; L140-Y145 HydrophobicContact CD2-CE2 4.15Å; L140-Y145 WeakPolarHBondContact O-CD2 3.44Å; T143-Y145 HydrophobicContact CG2-CD1 4.21Å; T143-Y145 HydrophobicContact CG2-CD2 4.26Å; T143-Y145 HydrophobicContact CG2-CE1 3.67Å; T143-Y145 HydrophobicContact CG2-CE2 3.74Å; T143-Y145 HydrophobicContact CG2-CG 4.49Å; T143-Y145 VanDerWaalsContact CG2-CZ 3.42Å
146	D	97.8	Very high	95.5	Very high	42 Å²	42	40.5 Å²	40.5	23%	0.225	18%	0.184	C	C	.	.	S	Bend	trans	-89.8	-28.6	-179.6	-66.1	-76.4	0	0	0	113	G24 K25 P167 M468 K471	G24-D146 VanDerWaalsContact CA-OD2 3.31Å; G24-D146 WeakPolarHBondContact CA-OD2 3.3Å; K25-D146 PolarHBondContact N-OD2 3.11Å; K25-D146 PolarHBondContact O-N 3.34Å; D146-P167 WeakPolarHBondContact O-CG 3.34Å; D146-M468 HydrophobicContact CB-CG 3.63Å; D146-K471 IonicContact OD1-NZ 3.42Å; D146-K471 PolarHBondContact OD1-NZ 3.03Å
147	V	98.5	Very high	95.6	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.5	148.8	179.9	67.5	0	0	0	0	110.6	V26 L27 P167 V169 I464 V467 M468	V26-V147 WeakPolarHBondContact CA-O 3.34Å; V26-V147 HydrophobicContact CB-CG1 4.46Å; V26-V147 HydrophobicContact CG1-CG1 4.26Å; V26-V147 HydrophobicContact CG2-CG1 3.94Å; L27-V147 PolarHBondContact N-O 3.32Å; L27-V147 VanDerWaalsContact N-O 3.09Å; V147-P167 CarbonylContact C-O 3.53Å; V147-P167 VanDerWaalsContact CA-O 3.31Å; V147-P167 WeakPolarHBondContact CA-O 3.37Å; V147-P167 WeakPolarHBondContact CG2-O 3.37Å; V147-V169 HydrophobicContact CG2-CG2 4.26Å; V147-I464 HydrophobicContact CG1-CG2 3.99Å; V147-V467 HydrophobicContact CG2-CB 4.39Å; V147-V467 HydrophobicContact CG2-CG1 3.83Å; V147-M468 HydrophobicContact CB-CB 4.49Å; V147-M468 HydrophobicContact CG1-CB 4.39Å; V147-M468 HydrophobicContact CG1-CE 3.57Å
148	M	98.6	Very high	95.6	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	139.9	167.8	-78	178.6	74.5	0	0	112.1	L27 I150 V160 A161 L164 V166 P167 F168 V169	L27-M148 HydrophobicContact CB-CG 3.84Å; L27-M148 HydrophobicContact CD2-CE 3.92Å; L27-M148 HydrophobicContact CD2-CG 4.1Å; L27-M148 HydrophobicContact CD2-SD 3.93Å; L27-M148 HydrophobicContact CG-CE 4.25Å; L27-M148 HydrophobicContact CG-CG 4.18Å; L27-M148 CarbonylContact O-C 3.51Å; L27-M148 WeakPolarHBondContact O-CA 3.21Å; M148-I150 HydrophobicContact CB-CD1 4.18Å; M148-I150 HydrophobicContact CB-CG1 4.13Å; M148-I150 HydrophobicContact CE-CD1 4.31Å; M148-V160 HydrophobicContact CE-CB 4.15Å; M148-V160 HydrophobicContact CE-CG1 3.84Å; M148-V160 HydrophobicContact SD-CG1 4.36Å; M148-A161 HydrophobicContact CE-CB 4.32Å; M148-A161 WeakPolarHBondContact SD-CA 3.42Å; M148-A161 HydrophobicContact SD-CB 3.53Å; M148-A161 VanDerWaalsContact SD-CB 3.53Å; M148-L164 HydrophobicContact SD-CD1 4.44Å; M148-V166 HydrophobicContact CB-CG1 4.48Å; M148-V166 HydrophobicContact CG-CB 4.4Å; M148-V166 HydrophobicContact CG-CG1 3.94Å; M148-V166 HydrophobicContact SD-CB 4.44Å; M148-P167 PolarHBondContact N-O 3.46Å; M148-F168 HydrophobicContact CB-CB 3.77Å; M148-F168 CarbonylContact O-C 3.56Å; M148-F168 VanDerWaalsContact O-CA 3.24Å; M148-F168 WeakPolarHBondContact O-CA 3.48Å; M148-V169 PolarHBondContact O-N 3.48Å
149	V	98.4	Very high	95.7	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	121.3	170.8	179.6	0	0	0	0	108.3	V26 L27 V28 W29 V169 T171 I464	V26-V149 HydrophobicContact CG1-CB 4.48Å; V26-V149 HydrophobicContact CG1-CG2 3.77Å; L27-V149 PolarHBondContact O-N 3.1Å; V28-V149 WeakPolarHBondContact CA-O 2.76Å; W29-V149 PolarHBondContact N-O 3.28Å; V149-V169 WeakPolarHBondContact CA-O 3.37Å; V149-T171 HydrophobicContact CG1-CG2 3.97Å; V149-I464 HydrophobicContact CG2-CD1 3.94Å; V149-I464 HydrophobicContact CG2-CG1 4.26Å; V149-I464 HydrophobicContact CG2-CG2 4.18Å
150	I	98	Very high	95.8	Very high	0 Å²	0	28 Å²	28	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	130.2	-164.9	-56.3	179.1	0	0	0	109.9	W29 M148 P152 G157 A161 F168 V169 N170 T171	W29-I150 HydrophobicContact CB-CB 4.37Å; W29-I150 HydrophobicContact CB-CG1 4.13Å; W29-I150 HydrophobicContact CB-CG2 4.14Å; W29-I150 HydrophobicContact CG-CG2 4.35Å; M148-I150 HydrophobicContact CB-CD1 4.18Å; M148-I150 HydrophobicContact CB-CG1 4.13Å; M148-I150 HydrophobicContact CE-CD1 4.31Å; I150-P152 WeakPolarHBondContact O-CD 3.18Å; I150-G157 VanDerWaalsContact CD1-C 3.41Å; I150-G157 WeakPolarHBondContact CD1-O 3.45Å; I150-A161 HydrophobicContact CD1-CB 4.3Å; I150-F168 HydrophobicContact CD1-CB 3.64Å; I150-F168 HydrophobicContact CD1-CD2 3.58Å; I150-F168 HydrophobicContact CD1-CE2 4.33Å; I150-F168 HydrophobicContact CD1-CG 3.74Å; I150-F168 HydrophobicContact CG1-CB 4.33Å; I150-F168 HydrophobicContact CG1-CD2 4.49Å; I150-V169 PolarHBondContact N-O 2.78Å; I150-N170 CarbonylContact O-C 3.19Å; I150-N170 WeakPolarHBondContact O-CA 3.39Å; I150-T171 WeakPolarHBondContact O-CG2 3.32Å; I150-T171 PolarHBondContact O-N 3.44Å
151	D	95.6	Very high	95.9	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	13%	0.133	C	C	.	.			trans	-93.8	109.1	161.2	-164.9	-44.9	0	0	0	109.6	W29 C31 H35 M39 V153 I154 R259	W29-D151 PolarHBondContact O-N 3.19Å; C31-D151 HydrophobicContact CB-CB 3.87Å; H35-D151 IonicContact CE1-OD2 3.73Å; H35-D151 IonicContact CG-OD2 3.77Å; H35-D151 IonicContact ND1-OD1 2.82Å; H35-D151 PolarHBondContact ND1-OD1 2.95Å; H35-D151 IonicContact ND1-OD2 3.19Å; H35-D151 PolarHBondContact ND1-OD2 2.88Å; M39-D151 HydrophobicContact CE-CB 3.42Å; M39-D151 VanDerWaalsContact CE-CB 3.42Å; D151-V153 PolarHBondContact O-N 3.43Å; D151-V153 VanDerWaalsContact O-N 3.13Å; D151-V153 WeakPolarHBondContact OD1-CB 3.41Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.45Å; D151-V153 PolarHBondContact OD1-N 3.01Å; D151-V153 VanDerWaalsContact OD1-N 3.12Å; D151-I154 PolarHBondContact O-N 3.14Å; D151-R259 IonicContact OD1-NH2 3.5Å; D151-R259 IonicContact OD2-CZ 3.81Å; D151-R259 VanDerWaalsContact OD2-CZ 3.31Å; D151-R259 IonicContact OD2-NH1 3.98Å; D151-R259 PolarHBondContact OD2-NH1 2.89Å; D151-R259 IonicContact OD2-NH2 3.84Å; D151-R259 PolarHBondContact OD2-NH2 3.35Å
152	P	93.8	Very high	95.9	Very high	4 Å²	4	23.5 Å²	23.5	3%	0.026	12%	0.119	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.5	6.7	-171.9	31.8	-34.7	0	0	0	113.7	I150 I154 N170 L172 I250	I150-P152 WeakPolarHBondContact O-CD 3.18Å; P152-I154 PolarHBondContact O-N 3.25Å; P152-N170 HydrophobicContact CG-CB 4.41Å; P152-L172 HydrophobicContact CG-CB 3.94Å; P152-L172 HydrophobicContact CG-CD1 3.87Å; P152-L172 HydrophobicContact CG-CD2 3.98Å; P152-L172 HydrophobicContact CG-CG 4.12Å; P152-I250 HydrophobicContact CB-CD1 3.44Å; P152-I250 VanDerWaalsContact CB-CD1 3.44Å; P152-I250 HydrophobicContact CB-CG1 4.4Å; P152-I250 HydrophobicContact CG-CD1 4.36Å
153	V	90.2	Very high	95.9	Very high	59 Å²	59	20.1 Å²	20.1	36%	0.358	10%	0.102	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.8	-30.5	168.8	168.6	0	0	0	0	111.5	H35 D151 L172	H35-V153 VanDerWaalsContact CE1-CG2 3.49Å; H35-V153 WeakPolarHBondContact CE1-CG2 3.36Å; D151-V153 PolarHBondContact O-N 3.43Å; D151-V153 VanDerWaalsContact O-N 3.13Å; D151-V153 WeakPolarHBondContact OD1-CB 3.41Å; D151-V153 WeakPolarHBondContact OD1-CG2 3.45Å; D151-V153 PolarHBondContact OD1-N 3.01Å; D151-V153 VanDerWaalsContact OD1-N 3.12Å; V153-L172 HydrophobicContact CG2-CD1 4.02Å
154	I	89.5	Confident	96	Very high	3 Å²	3	19.7 Å²	19.7	2%	0.015	10%	0.098	C	C	.	.	S	Bend	trans	-106.2	108.5	170.1	-57.7	-176.6	0	0	0	107	W29 C31 Y58 F123 L126 D151 P152	W29-I154 HydrophobicContact CZ2-CG2 4.26Å; W29-I154 PolarHBondContact NE1-O 3.48Å; C31-I154 HydrophobicContact CB-CD1 4.16Å; C31-I154 HydrophobicContact CB-CG1 4.28Å; Y58-I154 HydrophobicContact CE1-CD1 3.85Å; Y58-I154 HydrophobicContact CE2-CD1 4.29Å; Y58-I154 VanDerWaalsContact CZ-CD1 3.44Å; Y58-I154 WeakPolarHBondContact OH-CD1 3.38Å; F123-I154 HydrophobicContact CD1-CG2 3.85Å; F123-I154 HydrophobicContact CE1-CD1 4.07Å; F123-I154 HydrophobicContact CE1-CG1 3.92Å; F123-I154 HydrophobicContact CE1-CG2 4.02Å; F123-I154 HydrophobicContact CE2-CG1 4.38Å; F123-I154 HydrophobicContact CG-CG2 4.12Å; F123-I154 HydrophobicContact CZ-CB 4.49Å; F123-I154 HydrophobicContact CZ-CD1 4.33Å; F123-I154 HydrophobicContact CZ-CG1 3.79Å; F123-I154 HydrophobicContact CZ-CG2 4.42Å; L126-I154 HydrophobicContact CD2-CG2 3.98Å; D151-I154 PolarHBondContact O-N 3.14Å; P152-I154 PolarHBondContact O-N 3.25Å
155	P	91	Very high	96.1	Very high	9 Å²	9	20.3 Å²	20.3	6%	0.058	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	166.2	176.9	-24.8	35.7	0	0	0	112.1	W232 F246	P155-W232 HydrophobicContact CB-CD2 4.15Å; P155-W232 HydrophobicContact CB-CE3 4.45Å; P155-W232 HydrophobicContact CB-CH2 3.9Å; P155-W232 HydrophobicContact CB-CZ2 3.61Å; P155-W232 HydrophobicContact CB-CZ3 4.32Å; P155-W232 HydrophobicContact CG-CH2 4.38Å; P155-W232 HydrophobicContact CG-CZ2 3.63Å; P155-F246 HydrophobicContact CB-CE2 4.09Å
156	C	94.1	Very high	96.1	Very high	0 Å²	0	20.1 Å²	20.1	0%	0	11%	0.105	C	C	.	.	T	Hydrogen-bonded Turn	trans	101.2	-26.2	175.5	-168.2	0	0	0	0	115.5	W29 C127 E158 L159 V160 Y236	W29-C156 HydrophobicContact CH2-CB 3.96Å; W29-C156 HydrophobicContact CZ2-CB 3.67Å; C127-C156 WeakPolarHBondContact CA-SG 3.13Å; C127-C156 HydrophobicContact CB-CB 3.51Å; C127-C156 WeakPolarHBondContact CB-SG 3.47Å; C127-C156 WeakPolarHBondContact SG-CB 3.48Å; C127-C156 CovalentContact SG-SG 2.02Å; C127-C156 PolarHBondContact SG-SG 2.94Å; C156-E158 PolarHBondContact N-OE1 3.46Å; C156-E158 PolarHBondContact O-N 3.42Å; C156-L159 WeakPolarHBondContact O-CB 3.4Å; C156-L159 PolarHBondContact O-N 2.99Å; C156-V160 WeakPolarHBondContact O-CG2 3.45Å; C156-V160 PolarHBondContact O-N 3.13Å; C156-Y236 WeakPolarHBondContact CA-OH 3.5Å; C156-Y236 PolarHBondContact N-OH 2.84Å; C156-Y236 VanDerWaalsContact N-OH 3.09Å
157	G	96.2	Very high	96.1	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-55.5	-44.6	179	0	0	0	0	0	112	W29 I150 L159 V160 A161	W29-G157 VanDerWaalsContact CG-CA 3.44Å; I150-G157 VanDerWaalsContact CD1-C 3.41Å; I150-G157 WeakPolarHBondContact CD1-O 3.45Å; G157-L159 VanDerWaalsContact C-N 3.32Å; G157-L159 PolarHBondContact O-N 3.35Å; G157-V160 PolarHBondContact O-N 2.72Å; G157-A161 PolarHBondContact O-N 3.38Å
158	E	96.6	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-63.9	-34	176.9	60.1	-75.1	169.7	0	0	112.7	C156 A161 E162 F168 Y236 F246 T249 I250	C156-E158 PolarHBondContact N-OE1 3.46Å; C156-E158 PolarHBondContact O-N 3.42Å; E158-A161 WeakPolarHBondContact O-CB 3.48Å; E158-A161 PolarHBondContact O-N 2.74Å; E158-E162 PolarHBondContact O-N 2.96Å; E158-F168 HydrophobicContact CB-CE1 4.47Å; E158-F168 HydrophobicContact CB-CE2 4Å; E158-F168 HydrophobicContact CB-CZ 3.83Å; E158-Y236 HydrophobicContact CG-CE2 4.17Å; E158-Y236 PolarHBondContact OE1-OH 3.37Å; E158-F246 WeakPolarHBondContact OE1-CE2 3.23Å; E158-T249 HydrophobicContact CB-CG2 4.13Å; E158-T249 HydrophobicContact CG-CG2 3.92Å; E158-I250 HydrophobicContact CB-CB 4.4Å; E158-I250 HydrophobicContact CG-CB 3.95Å; E158-I250 HydrophobicContact CG-CG1 4.35Å
159	L	97.6	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-73.7	-40.3	176.3	-177.6	59.5	0	0	0	111	L131 C156 G157 A161 E162 V163 F235 Y236 T239 L240	L131-L159 HydrophobicContact CD1-CB 4.44Å; L131-L159 HydrophobicContact CD1-CD2 3.38Å; L131-L159 HydrophobicContact CD1-CG 3.69Å; C156-L159 WeakPolarHBondContact O-CB 3.4Å; C156-L159 PolarHBondContact O-N 2.99Å; G157-L159 VanDerWaalsContact C-N 3.32Å; G157-L159 PolarHBondContact O-N 3.35Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 2.91Å; L159-E162 PolarHBondContact O-N 2.9Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 2.95Å; L159-F235 HydrophobicContact CD2-CD1 4.14Å; L159-F235 HydrophobicContact CD2-CE1 3.84Å; L159-Y236 HydrophobicContact CB-CD2 4.31Å; L159-Y236 HydrophobicContact CB-CE1 4.37Å; L159-Y236 HydrophobicContact CB-CE2 3.81Å; L159-Y236 HydrophobicContact CD1-CD2 4.13Å; L159-Y236 HydrophobicContact CD1-CE2 4.48Å; L159-Y236 HydrophobicContact CD1-CG 4.31Å; L159-Y236 HydrophobicContact CD2-CD1 3.74Å; L159-Y236 HydrophobicContact CD2-CD2 4.3Å; L159-Y236 HydrophobicContact CD2-CE1 3.74Å; L159-Y236 HydrophobicContact CD2-CE2 4.34Å; L159-Y236 HydrophobicContact CD2-CG 3.98Å; L159-Y236 HydrophobicContact CG-CD2 4.49Å; L159-Y236 HydrophobicContact CG-CE2 4.44Å; L159-T239 HydrophobicContact CD2-CG2 4.18Å; L159-L240 HydrophobicContact CD1-CD1 4.1Å; L159-L240 HydrophobicContact CD1-CD2 3.73Å; L159-L240 HydrophobicContact CD1-CG 3.78Å
160	V	97.6	Very high	96.1	Very high	0 Å²	0	19.7 Å²	19.7	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-59.3	-43.8	170.8	173.6	0	0	0	0	110	W29 V130 L131 M148 C156 G157 E162 V163 L164	W29-V160 HydrophobicContact CZ3-CG2 4.16Å; V130-V160 HydrophobicContact CG1-CG2 3.81Å; L131-V160 HydrophobicContact CD2-CB 4.48Å; L131-V160 HydrophobicContact CD2-CG2 3.78Å; L131-V160 HydrophobicContact CG-CG2 4.19Å; M148-V160 HydrophobicContact CE-CB 4.15Å; M148-V160 HydrophobicContact CE-CG1 3.84Å; M148-V160 HydrophobicContact SD-CG1 4.36Å; C156-V160 WeakPolarHBondContact O-CG2 3.45Å; C156-V160 PolarHBondContact O-N 3.13Å; G157-V160 PolarHBondContact O-N 2.72Å; V160-E162 PolarHBondContact O-N 2.97Å; V160-V163 PolarHBondContact O-N 3.19Å; V160-L164 HydrophobicContact CG1-CD1 3.73Å; V160-L164 HydrophobicContact CG1-CG 4.27Å; V160-L164 WeakPolarHBondContact O-CB 3.46Å; V160-L164 VanDerWaalsContact O-CG 3.28Å; V160-L164 WeakPolarHBondContact O-CG 3.5Å; V160-L164 PolarHBondContact O-N 3.24Å
161	A	97.9	Very high	96	Very high	1 Å²	1	19.7 Å²	19.7	1%	0.008	10%	0.103	C	C	.	.	H	α-helix	trans	-60.4	-44.3	176	0	0	0	0	0	112.4	M148 I150 G157 E158 L159 L164 Q165 V166 F168	M148-A161 HydrophobicContact CE-CB 4.32Å; M148-A161 WeakPolarHBondContact SD-CA 3.42Å; M148-A161 HydrophobicContact SD-CB 3.53Å; M148-A161 VanDerWaalsContact SD-CB 3.53Å; I150-A161 HydrophobicContact CD1-CB 4.3Å; G157-A161 PolarHBondContact O-N 3.38Å; E158-A161 WeakPolarHBondContact O-CB 3.48Å; E158-A161 PolarHBondContact O-N 2.74Å; L159-A161 VanDerWaalsContact C-N 3.29Å; L159-A161 PolarHBondContact O-N 2.91Å; A161-L164 PolarHBondContact O-N 3Å; A161-Q165 WeakPolarHBondContact O-CA 3.04Å; A161-Q165 PolarHBondContact O-N 3.21Å; A161-V166 PolarHBondContact O-N 2.95Å; A161-F168 HydrophobicContact CB-CB 4.11Å; A161-F168 HydrophobicContact CB-CD1 3.63Å; A161-F168 HydrophobicContact CB-CE1 4.29Å; A161-F168 HydrophobicContact CB-CG 4.07Å
162	E	97.1	Very high	96	Very high	51 Å²	51	19.8 Å²	19.8	24%	0.238	10%	0.104	C	C	.	.	H	α-helix	trans	-61.4	-45.8	175.5	179.7	79.1	178.8	0	0	111.7	E158 L159 V160 L164 Q165 L240 R242 T249 K252	E158-E162 PolarHBondContact O-N 2.96Å; L159-E162 PolarHBondContact O-N 2.9Å; V160-E162 PolarHBondContact O-N 2.97Å; E162-L164 PolarHBondContact O-N 3.29Å; E162-Q165 PolarHBondContact O-N 3.27Å; E162-L240 HydrophobicContact CG-CD1 4Å; E162-L240 HydrophobicContact CG-CD2 4.04Å; E162-R242 IonicContact OE1-NH2 3.66Å; E162-R242 PolarHBondContact OE1-NH2 3.27Å; E162-T249 HydrophobicContact CB-CG2 4.34Å; E162-K252 IonicContact OE1-NZ 2.93Å; E162-K252 PolarHBondContact OE1-NZ 2.86Å; E162-K252 VanDerWaalsContact OE2-CD 3.3Å; E162-K252 WeakPolarHBondContact OE2-CD 3.31Å; E162-K252 IonicContact OE2-NZ 3.31Å; E162-K252 PolarHBondContact OE2-NZ 2.93Å
163	V	96.9	Very high	96	Very high	38 Å²	38	20.1 Å²	20.1	23%	0.23	11%	0.105	C	C	.	.	H	α-helix	trans	-67.9	-34.3	180	172.3	0	0	0	0	112.3	L131 M137 R141 L159 V160 Q165 L240	L131-V163 HydrophobicContact CD2-CB 4.34Å; L131-V163 HydrophobicContact CD2-CG2 4.12Å; M137-V163 HydrophobicContact CE-CB 4.22Å; M137-V163 HydrophobicContact CE-CG1 3.63Å; R141-V163 PolarHBondContact NH2-O 3.02Å; L159-V163 WeakPolarHBondContact O-CG2 3.45Å; L159-V163 PolarHBondContact O-N 2.95Å; V160-V163 PolarHBondContact O-N 3.19Å; V163-Q165 VanDerWaalsContact C-N 3.34Å; V163-L240 HydrophobicContact CG2-CD2 3.75Å
164	L	97.2	Very high	96.1	Very high	21 Å²	21	18.8 Å²	18.8	11%	0.11	9%	0.094	C	C	.	.	H	α-helix	trans	-82.4	-13	175	-65.4	178.4	0	0	0	113	L27 M137 L140 R141 M148 V160 A161 E162 V166	L27-L164 HydrophobicContact CD2-CD1 3.88Å; M137-L164 HydrophobicContact CE-CD2 3.69Å; M137-L164 HydrophobicContact CE-CG 3.93Å; L140-L164 HydrophobicContact CB-CD1 4.01Å; L140-L164 HydrophobicContact CB-CD2 4.14Å; L140-L164 HydrophobicContact CD1-CD1 4.42Å; R141-L164 HydrophobicContact CB-CD2 4.02Å; M148-L164 HydrophobicContact SD-CD1 4.44Å; V160-L164 HydrophobicContact CG1-CD1 3.73Å; V160-L164 HydrophobicContact CG1-CG 4.27Å; V160-L164 WeakPolarHBondContact O-CB 3.46Å; V160-L164 VanDerWaalsContact O-CG 3.28Å; V160-L164 WeakPolarHBondContact O-CG 3.5Å; V160-L164 PolarHBondContact O-N 3.24Å; A161-L164 PolarHBondContact O-N 3Å; E162-L164 PolarHBondContact O-N 3.29Å; L164-V166 VanDerWaalsContact C-N 3.31Å; L164-V166 HydrophobicContact CB-CB 4.49Å; L164-V166 HydrophobicContact CB-CG2 3.81Å
165	Q	96.7	Very high	96.1	Very high	179 Å²	179	19.2 Å²	19.2	84%	0.836	10%	0.097	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.9	41.9	-172.7	-57.5	-175.7	-20.7	0	0	113.1	A161 E162 V163	A161-Q165 WeakPolarHBondContact O-CA 3.04Å; A161-Q165 PolarHBondContact O-N 3.21Å; E162-Q165 PolarHBondContact O-N 3.27Å; V163-Q165 VanDerWaalsContact C-N 3.34Å
166	V	98.1	Very high	95.9	Very high	15 Å²	15	21.1 Å²	21.1	9%	0.091	11%	0.106	C	C	.	.			trans	-106.7	129.2	-180	178.7	0	0	0	0	108.9	M148 A161 L164	M148-V166 HydrophobicContact CB-CG1 4.48Å; M148-V166 HydrophobicContact CG-CB 4.4Å; M148-V166 HydrophobicContact CG-CG1 3.94Å; M148-V166 HydrophobicContact SD-CB 4.44Å; A161-V166 PolarHBondContact O-N 2.95Å; L164-V166 VanDerWaalsContact C-N 3.31Å; L164-V166 HydrophobicContact CB-CB 4.49Å; L164-V166 HydrophobicContact CB-CG2 3.81Å
167	P	98.3	Very high	95.7	Very high	26 Å²	26	21.4 Å²	21.4	17%	0.169	11%	0.109	C	C	.	.			trans	-64.1	148.8	174.6	28.4	-34.7	0	0	0	110.2	D146 V147 M148 E254 V467	D146-P167 WeakPolarHBondContact O-CG 3.34Å; V147-P167 CarbonylContact C-O 3.53Å; V147-P167 VanDerWaalsContact CA-O 3.31Å; V147-P167 WeakPolarHBondContact CA-O 3.37Å; V147-P167 WeakPolarHBondContact CG2-O 3.37Å; M148-P167 PolarHBondContact N-O 3.46Å; P167-E254 HydrophobicContact CB-CG 3.84Å; P167-V467 HydrophobicContact CB-CG1 3.81Å; P167-V467 HydrophobicContact CG-CG1 4.14Å
168	F	98.6	Very high	95.5	Very high	7 Å²	7	21.7 Å²	21.7	3%	0.031	11%	0.11	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	154.2	-174	68.5	-88.1	0	0	0	113.9	M148 I150 E158 A161 N170 T249 K252 A253 E254	M148-F168 HydrophobicContact CB-CB 3.77Å; M148-F168 CarbonylContact O-C 3.56Å; M148-F168 VanDerWaalsContact O-CA 3.24Å; M148-F168 WeakPolarHBondContact O-CA 3.48Å; I150-F168 HydrophobicContact CD1-CB 3.64Å; I150-F168 HydrophobicContact CD1-CD2 3.58Å; I150-F168 HydrophobicContact CD1-CE2 4.33Å; I150-F168 HydrophobicContact CD1-CG 3.74Å; I150-F168 HydrophobicContact CG1-CB 4.33Å; I150-F168 HydrophobicContact CG1-CD2 4.49Å; E158-F168 HydrophobicContact CB-CE1 4.47Å; E158-F168 HydrophobicContact CB-CE2 4Å; E158-F168 HydrophobicContact CB-CZ 3.83Å; A161-F168 HydrophobicContact CB-CB 4.11Å; A161-F168 HydrophobicContact CB-CD1 3.63Å; A161-F168 HydrophobicContact CB-CE1 4.29Å; A161-F168 HydrophobicContact CB-CG 4.07Å; F168-N170 WeakPolarHBondContact CD2-OD1 3.45Å; F168-N170 WeakPolarHBondContact CE2-OD1 3.45Å; F168-T249 WeakPolarHBondContact CZ-O 3.31Å; F168-K252 HydrophobicContact CE1-CB 3.94Å; F168-K252 HydrophobicContact CZ-CB 4.09Å; F168-A253 HydrophobicContact CD2-CB 3.85Å; F168-A253 VanDerWaalsContact CE2-CA 3.41Å; F168-A253 HydrophobicContact CE2-CB 3.41Å; F168-A253 VanDerWaalsContact CE2-CB 3.41Å; F168-A253 HydrophobicContact CZ-CB 4.03Å; F168-E254 PolarHBondContact O-N 3.02Å
169	V	98.8	Very high	95.2	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.114	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	126.7	176.6	177.3	0	0	0	0	108.4	V147 M148 V149 I150 I255 L257 I464 V467	V147-V169 HydrophobicContact CG2-CG2 4.26Å; M148-V169 PolarHBondContact O-N 3.48Å; V149-V169 WeakPolarHBondContact CA-O 3.37Å; I150-V169 PolarHBondContact N-O 2.78Å; V169-I255 WeakPolarHBondContact CA-O 3.35Å; V169-I255 HydrophobicContact CG1-CB 4.12Å; V169-I255 HydrophobicContact CG1-CG2 4.29Å; V169-I255 HydrophobicContact CG2-CB 4.22Å; V169-L257 HydrophobicContact CG1-CD1 3.71Å; V169-L257 HydrophobicContact CG1-CG 3.67Å; V169-I464 HydrophobicContact CB-CG1 4.39Å; V169-I464 HydrophobicContact CG1-CG1 4.2Å; V169-I464 HydrophobicContact CG2-CG1 4.33Å; V169-V467 HydrophobicContact CG2-CB 4.23Å; V169-V467 HydrophobicContact CG2-CG1 4.43Å; V169-V467 HydrophobicContact CG2-CG2 3.89Å
170	N	98.2	Very high	95	Very high	0 Å²	0	23.3 Å²	23.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.8	138.3	173.5	-74.3	-15.9	0	0	0	109.9	I150 P152 F168 A253 I255 W256 L257	I150-N170 CarbonylContact O-C 3.19Å; I150-N170 WeakPolarHBondContact O-CA 3.39Å; P152-N170 HydrophobicContact CG-CB 4.41Å; F168-N170 WeakPolarHBondContact CD2-OD1 3.45Å; F168-N170 WeakPolarHBondContact CE2-OD1 3.45Å; N170-A253 HydrophobicContact CB-CB 4.36Å; N170-A253 WeakPolarHBondContact ND2-CB 3.34Å; N170-I255 PolarHBondContact N-O 2.74Å; N170-W256 HydrophobicContact CB-CD2 4.12Å; N170-W256 HydrophobicContact CB-CE3 3.79Å; N170-W256 HydrophobicContact CB-CZ3 4.15Å; N170-W256 WeakPolarHBondContact ND2-CH2 3.5Å; N170-W256 WeakPolarHBondContact ND2-CZ2 3.31Å; N170-W256 VanDerWaalsContact ND2-CZ3 3.3Å; N170-W256 WeakPolarHBondContact ND2-CZ3 3.44Å; N170-L257 WeakPolarHBondContact O-CB 3.42Å; N170-L257 PolarHBondContact O-N 2.92Å
171	T	97.1	Very high	94.8	Very high	0 Å²	0	23.4 Å²	23.4	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	105.1	167.7	160.9	0	0	0	0	109.2	M39 V149 I150 L257 R259	M39-T171 HydrophobicContact CE-CG2 3.72Å; V149-T171 HydrophobicContact CG1-CG2 3.97Å; I150-T171 WeakPolarHBondContact O-CG2 3.32Å; I150-T171 PolarHBondContact O-N 3.44Å; T171-L257 WeakPolarHBondContact CA-O 3.35Å; T171-R259 PolarHBondContact O-NH1 3.47Å; T171-R259 VanDerWaalsContact O-NH1 3.16Å; T171-R259 PolarHBondContact OG1-NH1 3.46Å; T171-R259 VanDerWaalsContact OG1-NH1 3.09Å
172	L	95.1	Very high	94.6	Very high	3 Å²	3	25.8 Å²	25.8	2%	0.016	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	142.4	-171.3	-176.6	57.3	0	0	0	111.1	P152 V153 F174 E181 W256 L257 I258 R259	P152-L172 HydrophobicContact CG-CB 3.94Å; P152-L172 HydrophobicContact CG-CD1 3.87Å; P152-L172 HydrophobicContact CG-CD2 3.98Å; P152-L172 HydrophobicContact CG-CG 4.12Å; V153-L172 HydrophobicContact CG2-CD1 4.02Å; L172-F174 VanDerWaalsContact CD1-O 3.24Å; L172-F174 WeakPolarHBondContact CD1-O 3.47Å; L172-E181 HydrophobicContact CD2-CG 4.08Å; L172-W256 HydrophobicContact CD2-CZ3 4.14Å; L172-L257 PolarHBondContact N-O 2.95Å; L172-I258 HydrophobicContact CB-CD1 4.48Å; L172-I258 CarbonylContact O-C 3.58Å; L172-I258 VanDerWaalsContact O-CA 3.28Å; L172-I258 WeakPolarHBondContact O-CA 3.37Å; L172-R259 PolarHBondContact O-N 2.85Å
173	R	92.5	Very high	94.3	Very high	11 Å²	11	26 Å²	26	4%	0.042	13%	0.129	C	C	.	.	S	Bend	trans	-89	-49.9	168.4	176	42.3	-158.8	111.3	-8.6	110.7	R259 T260 E265 M377	R173-R259 HydrophobicContact CB-CB 4.23Å; R173-T260 VanDerWaalsContact NH1-CG2 3.27Å; R173-E265 IonicContact CZ-OE1 4Å; R173-E265 IonicContact NH1-OE1 2.84Å; R173-E265 PolarHBondContact NH1-OE1 3.07Å; R173-E265 IonicContact NH2-OE1 3.42Å; R173-E265 PolarHBondContact NH2-OE1 3.46Å; R173-M377 VanDerWaalsContact NE-CE 3.28Å; R173-M377 VanDerWaalsContact NH2-CE 3.32Å
174	F	92.4	Very high	94.1	Very high	31 Å²	31	24.3 Å²	24.3	14%	0.136	12%	0.119	C	C	.	.			trans	-165.1	156.9	172.9	69	-67.7	0	0	0	109.9	L172 M176 Y178 E181 I197 M198 D398	L172-F174 VanDerWaalsContact CD1-O 3.24Å; L172-F174 WeakPolarHBondContact CD1-O 3.47Å; F174-M176 HydrophobicContact CE2-SD 4.36Å; F174-Y178 HydrophobicContact CB-CD1 4.09Å; F174-Y178 HydrophobicContact CB-CE1 3.85Å; F174-E181 WeakPolarHBondContact CA-OE1 3.46Å; F174-I197 HydrophobicContact CB-CD1 3.71Å; F174-I197 HydrophobicContact CD1-CD1 4.1Å; F174-I197 HydrophobicContact CD2-CB 4.36Å; F174-I197 HydrophobicContact CD2-CD1 3.79Å; F174-I197 HydrophobicContact CD2-CG1 3.8Å; F174-I197 HydrophobicContact CD2-CG2 3.72Å; F174-I197 HydrophobicContact CE2-CD1 4.44Å; F174-I197 HydrophobicContact CE2-CG1 4.2Å; F174-I197 HydrophobicContact CE2-CG2 4.42Å; F174-I197 HydrophobicContact CG-CD1 3.6Å; F174-I197 HydrophobicContact CG-CG1 4.15Å; F174-I197 HydrophobicContact CG-CG2 4.47Å; F174-M198 HydrophobicContact CE2-SD 4.39Å; F174-D398 HydrophobicContact CE1-CB 3.73Å; F174-D398 HydrophobicContact CE2-CB 4.47Å; F174-D398 HydrophobicContact CZ-CB 3.66Å
175	S	91.1	Very high	94	Very high	11 Å²	11	23.3 Å²	23.3	8%	0.077	11%	0.114	C	C	.	.			trans	-99.2	161.7	152.4	73.9	0	0	0	0	111.1	G177 Y178 T179 I180 E181	S175-G177 PolarHBondContact O-N 3.31Å; S175-G177 VanDerWaalsContact O-N 3.16Å; S175-Y178 WeakPolarHBondContact O-CA 3.32Å; S175-Y178 PolarHBondContact O-N 2.98Å; S175-T179 PolarHBondContact OG-N 3.29Å; S175-T179 PolarHBondContact OG-OG1 3Å; S175-I180 WeakPolarHBondContact OG-CB 3.28Å; S175-I180 PolarHBondContact OG-N 3.29Å; S175-E181 VanDerWaalsContact CB-OE2 3.3Å; S175-E181 WeakPolarHBondContact CB-OE2 3.31Å; S175-E181 PolarHBondContact N-OE1 3.29Å; S175-E181 PolarHBondContact N-OE2 3.34Å; S175-E181 PolarHBondContact OG-OE2 3.23Å
176	M	86.4	Confident	93.9	Very high	49 Å²	49	16.7 Å²	16.7	24%	0.241	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	-52.4	123.3	177.1	-68.9	-62.6	-152.7	0	0	110.7	F116 F174 Y178 T179 M198 F220	F116-M176 HydrophobicContact CE2-CE 3.67Å; F116-M176 HydrophobicContact CZ-CE 3.57Å; F174-M176 HydrophobicContact CE2-SD 4.36Å; M176-Y178 PolarHBondContact O-N 3.49Å; M176-Y178 VanDerWaalsContact O-N 3.13Å; M176-T179 WeakPolarHBondContact O-CB 3.49Å; M176-T179 VanDerWaalsContact O-CG2 3.24Å; M176-T179 WeakPolarHBondContact O-CG2 3.49Å; M176-T179 PolarHBondContact O-N 3.34Å; M176-T179 VanDerWaalsContact O-N 3.15Å; M176-T179 PolarHBondContact O-OG1 3.39Å; M176-M198 HydrophobicContact CE-SD 4.29Å; M176-M198 HydrophobicContact SD-CE 4.33Å; M176-M198 HydrophobicContact SD-SD 3.39Å; M176-F220 HydrophobicContact CB-CD1 3.94Å; M176-F220 HydrophobicContact CB-CE1 4.01Å; M176-F220 HydrophobicContact SD-CE1 4.45Å
177	G	88.8	Confident	93.8	Very high	7 Å²	7	16 Å²	16	7%	0.072	8%	0.079	C	C	.	.	G	3₁₀ helix	trans	63.1	12.6	-176.8	0	0	0	0	0	115.6	S175 T179	S175-G177 PolarHBondContact O-N 3.31Å; S175-G177 VanDerWaalsContact O-N 3.16Å; G177-T179 PolarHBondContact O-N 2.85Å
178	Y	91.9	Very high	93.6	Very high	5 Å²	5	16.7 Å²	16.7	2%	0.02	8%	0.083	C	C	.	.	G	3₁₀ helix	trans	59.1	26.4	-168.5	-57.4	-59.9	0	0	0	114.7	F174 S175 M176 E181 K182 L189 I197	F174-Y178 HydrophobicContact CB-CD1 4.09Å; F174-Y178 HydrophobicContact CB-CE1 3.85Å; S175-Y178 WeakPolarHBondContact O-CA 3.32Å; S175-Y178 PolarHBondContact O-N 2.98Å; M176-Y178 PolarHBondContact O-N 3.49Å; M176-Y178 VanDerWaalsContact O-N 3.13Å; Y178-E181 VanDerWaalsContact C-OE2 3.32Å; Y178-E181 WeakPolarHBondContact CA-OE2 3.42Å; Y178-E181 PolarHBondContact O-N 2.78Å; Y178-K182 WeakPolarHBondContact O-CB 3.21Å; Y178-K182 PolarHBondContact O-N 3.45Å; Y178-L189 HydrophobicContact CD2-CD1 4.06Å; Y178-L189 HydrophobicContact CG-CD1 3.94Å; Y178-I197 HydrophobicContact CD1-CG2 4.14Å; Y178-I197 HydrophobicContact CD2-CB 4.24Å; Y178-I197 HydrophobicContact CD2-CG2 4.13Å; Y178-I197 HydrophobicContact CE1-CB 4.02Å; Y178-I197 HydrophobicContact CE1-CD1 3.97Å; Y178-I197 HydrophobicContact CE1-CG2 4.13Å; Y178-I197 HydrophobicContact CE2-CB 3.72Å; Y178-I197 HydrophobicContact CE2-CG2 4.11Å; Y178-I197 HydrophobicContact CG-CG2 4.14Å
179	T	90.9	Very high	93.3	Very high	14 Å²	14	17.2 Å²	17.2	9%	0.086	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-46.4	-173.9	48.6	0	0	0	0	113	S175 M176 G177 K182 Y183 F220 Q225	S175-T179 PolarHBondContact OG-N 3.29Å; S175-T179 PolarHBondContact OG-OG1 3Å; M176-T179 WeakPolarHBondContact O-CB 3.49Å; M176-T179 VanDerWaalsContact O-CG2 3.24Å; M176-T179 WeakPolarHBondContact O-CG2 3.49Å; M176-T179 PolarHBondContact O-N 3.34Å; M176-T179 VanDerWaalsContact O-N 3.15Å; M176-T179 PolarHBondContact O-OG1 3.39Å; G177-T179 PolarHBondContact O-N 2.85Å; T179-K182 PolarHBondContact O-N 3.47Å; T179-Y183 HydrophobicContact CG2-CE2 4.38Å; T179-Y183 WeakPolarHBondContact O-CB 3.43Å; T179-Y183 WeakPolarHBondContact O-CD2 3.42Å; T179-Y183 PolarHBondContact O-N 2.92Å; T179-F220 HydrophobicContact CG2-CB 4.02Å; T179-Q225 HydrophobicContact CG2-CB 4.35Å; T179-Q225 VanDerWaalsContact CG2-OE1 3.25Å
180	I	93	Very high	93.1	Very high	20 Å²	20	19 Å²	19	10%	0.103	10%	0.098	C	C	.	.	I	π-helix	trans	-63.6	-47.3	178.5	-63.6	-179.9	0	0	0	111	S175 K182 C184 G185 F229 F246 I250 W256	S175-I180 WeakPolarHBondContact OG-CB 3.28Å; S175-I180 PolarHBondContact OG-N 3.29Å; I180-K182 VanDerWaalsContact C-N 3.33Å; I180-K182 PolarHBondContact O-N 3.31Å; I180-C184 HydrophobicContact CG2-CB 4.23Å; I180-C184 CarbonylContact O-C 3.56Å; I180-C184 WeakPolarHBondContact O-CA 3.49Å; I180-C184 VanDerWaalsContact O-CB 3.23Å; I180-C184 WeakPolarHBondContact O-CB 3.41Å; I180-C184 PolarHBondContact O-N 3.2Å; I180-G185 PolarHBondContact O-N 3.1Å; I180-F229 HydrophobicContact CG1-CZ 4.27Å; I180-F246 HydrophobicContact CD1-CE1 4.13Å; I180-F246 HydrophobicContact CD1-CZ 4.2Å; I180-F246 HydrophobicContact CG1-CE1 4.26Å; I180-I250 HydrophobicContact CD1-CD1 4.44Å; I180-I250 HydrophobicContact CG2-CD1 3.65Å; I180-I250 HydrophobicContact CG2-CG2 4.35Å; I180-W256 HydrophobicContact CG2-CH2 3.69Å; I180-W256 HydrophobicContact CG2-CZ3 3.95Å
181	E	94.3	Very high	93	Very high	2 Å²	2	20.6 Å²	20.6	1%	0.009	11%	0.106	C	C	.	.	I	π-helix	trans	-62.8	-42.7	-179.4	-59.3	94.3	133.9	0	0	111.1	L172 F174 S175 Y178 G185 Q186 L187 F274	L172-E181 HydrophobicContact CD2-CG 4.08Å; F174-E181 WeakPolarHBondContact CA-OE1 3.46Å; S175-E181 VanDerWaalsContact CB-OE2 3.3Å; S175-E181 WeakPolarHBondContact CB-OE2 3.31Å; S175-E181 PolarHBondContact N-OE1 3.29Å; S175-E181 PolarHBondContact N-OE2 3.34Å; S175-E181 PolarHBondContact OG-OE2 3.23Å; Y178-E181 VanDerWaalsContact C-OE2 3.32Å; Y178-E181 WeakPolarHBondContact CA-OE2 3.42Å; Y178-E181 PolarHBondContact O-N 2.78Å; E181-G185 CarbonylContact O-C 3.59Å; E181-G185 VanDerWaalsContact O-CA 3.26Å; E181-G185 WeakPolarHBondContact O-CA 3.43Å; E181-G185 PolarHBondContact O-N 3.15Å; E181-Q186 PolarHBondContact O-N 3.16Å; E181-Q186 VanDerWaalsContact O-N 3.1Å; E181-L187 HydrophobicContact CB-CB 4.25Å; E181-L187 HydrophobicContact CB-CD2 4.06Å; E181-L187 VanDerWaalsContact O-CB 3.27Å; E181-L187 WeakPolarHBondContact O-CB 3.4Å; E181-L187 PolarHBondContact O-N 3.49Å; E181-F274 HydrophobicContact CB-CE1 4.22Å; E181-F274 HydrophobicContact CG-CE1 4.32Å
182	K	92.8	Very high	92.9	Very high	51 Å²	51	23.8 Å²	23.8	22%	0.222	13%	0.128	C	C	.	.	I	π-helix	trans	-69.1	-53.9	-179.7	-173.2	-178.3	173.7	-167.4	0	112.4	Y178 T179 I180 Q186 L189	Y178-K182 WeakPolarHBondContact O-CB 3.21Å; Y178-K182 PolarHBondContact O-N 3.45Å; T179-K182 PolarHBondContact O-N 3.47Å; I180-K182 VanDerWaalsContact C-N 3.33Å; I180-K182 PolarHBondContact O-N 3.31Å; K182-Q186 VanDerWaalsContact O-CA 3.23Å; K182-Q186 WeakPolarHBondContact O-CA 3.39Å; K182-Q186 PolarHBondContact O-N 3.49Å; K182-L189 HydrophobicContact CB-CD1 3.89Å; K182-L189 HydrophobicContact CG-CD1 4.37Å
183	Y	90.9	Very high	92.9	Very high	57 Å²	57	27.9 Å²	27.9	22%	0.224	14%	0.144	C	C	.	.	I	π-helix	trans	-91	-41.1	-169.2	-64.4	-70	0	0	0	112.9	T179 Q186 E221 Q225	T179-Y183 HydrophobicContact CG2-CE2 4.38Å; T179-Y183 WeakPolarHBondContact O-CB 3.43Å; T179-Y183 WeakPolarHBondContact O-CD2 3.42Å; T179-Y183 PolarHBondContact O-N 2.92Å; Y183-Q186 PolarHBondContact O-NE2 2.82Å; Y183-E221 HydrophobicContact CE2-CG 4.31Å; Y183-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y183-E221 WeakPolarHBondContact OH-CG 3.35Å; Y183-E221 PolarHBondContact OH-OE1 2.82Å; Y183-E221 PolarHBondContact OH-OE2 3.2Å; Y183-Q225 VanDerWaalsContact CD2-OE1 3.29Å; Y183-Q225 VanDerWaalsContact CE2-OE1 3.27Å
184	C	93.8	Very high	93	Very high	2 Å²	2	27.8 Å²	27.8	1%	0.014	15%	0.145	C	C	.	.	I	π-helix	trans	-88.2	-39.7	-179.3	-44.3	0	0	0	0	111.1	I180 C247 I250 G251 H481	I180-C184 HydrophobicContact CG2-CB 4.23Å; I180-C184 CarbonylContact O-C 3.56Å; I180-C184 WeakPolarHBondContact O-CA 3.49Å; I180-C184 VanDerWaalsContact O-CB 3.23Å; I180-C184 WeakPolarHBondContact O-CB 3.41Å; I180-C184 PolarHBondContact O-N 3.2Å; C184-C247 WeakPolarHBondContact CA-SG 3.49Å; C184-C247 HydrophobicContact CB-CB 3.68Å; C184-C247 WeakPolarHBondContact CB-SG 3.45Å; C184-C247 PolarHBondContact N-SG 2.89Å; C184-C247 WeakPolarHBondContact SG-CA 3.32Å; C184-C247 WeakPolarHBondContact SG-CB 3.26Å; C184-C247 CovalentContact SG-SG 2.05Å; C184-C247 PolarHBondContact SG-SG 3.45Å; C184-I250 HydrophobicContact CB-CG2 3.39Å; C184-G251 VanDerWaalsContact O-CA 3.27Å; C184-G251 WeakPolarHBondContact O-CA 3.43Å; C184-H481 PolarHBondContact O-CE1 2.93Å
185	G	94.8	Very high	93.1	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.14	C	C	.	.	S	Bend	trans	-89.6	-6.9	179.2	0	0	0	0	0	115.6	I180 E181 L187 F274	I180-G185 PolarHBondContact O-N 3.1Å; E181-G185 CarbonylContact O-C 3.59Å; E181-G185 VanDerWaalsContact O-CA 3.26Å; E181-G185 WeakPolarHBondContact O-CA 3.43Å; E181-G185 PolarHBondContact O-N 3.15Å; G185-L187 PolarHBondContact O-N 3.31Å; G185-F274 WeakPolarHBondContact O-CE2 3.22Å
186	Q	94.8	Very high	93.2	Very high	39 Å²	39	26.3 Å²	26.3	18%	0.182	14%	0.138	C	C	.	.			trans	60.2	20.3	179.9	-58.3	-65.9	-40.1	0	0	114.7	E181 K182 Y183 P188 L271 V478 A480 H481	E181-Q186 PolarHBondContact O-N 3.16Å; E181-Q186 VanDerWaalsContact O-N 3.1Å; K182-Q186 VanDerWaalsContact O-CA 3.23Å; K182-Q186 WeakPolarHBondContact O-CA 3.39Å; K182-Q186 PolarHBondContact O-N 3.49Å; Y183-Q186 PolarHBondContact O-NE2 2.82Å; Q186-P188 WeakPolarHBondContact O-CD 3.47Å; Q186-L271 HydrophobicContact CB-CD1 4.46Å; Q186-V478 HydrophobicContact CB-CG2 4.01Å; Q186-A480 HydrophobicContact CB-CB 4.05Å; Q186-A480 HydrophobicContact CG-CB 4.09Å; Q186-H481 VanDerWaalsContact CG-CE1 3.47Å; Q186-H481 WeakPolarHBondContact CG-CE1 3.33Å; Q186-H481 WeakPolarHBondContact CG-ND1 2.84Å
187	L	94.9	Very high	93.4	Very high	2 Å²	2	24 Å²	24	1%	0.01	13%	0.126	C	C	.	.			trans	-67	124.8	179.6	-174.4	67.9	0	0	0	110.4	E181 G185 L189 H270 L271 F274	E181-L187 HydrophobicContact CB-CB 4.25Å; E181-L187 HydrophobicContact CB-CD2 4.06Å; E181-L187 VanDerWaalsContact O-CB 3.27Å; E181-L187 WeakPolarHBondContact O-CB 3.4Å; E181-L187 PolarHBondContact O-N 3.49Å; G185-L187 PolarHBondContact O-N 3.31Å; L187-L189 HydrophobicContact CD2-CD2 4.1Å; L187-L189 HydrophobicContact CG-CD2 4.35Å; L187-L189 PolarHBondContact O-N 2.79Å; L187-H270 HydrophobicContact CD1-CB 4.32Å; L187-L271 HydrophobicContact CD1-CG 4.26Å; L187-F274 HydrophobicContact CB-CE1 4.05Å; L187-F274 HydrophobicContact CB-CZ 4.03Å; L187-F274 HydrophobicContact CD1-CB 4.37Å; L187-F274 HydrophobicContact CD1-CD1 3.91Å; L187-F274 HydrophobicContact CD1-CD2 4.41Å; L187-F274 HydrophobicContact CD1-CE1 4.28Å; L187-F274 HydrophobicContact CD1-CG 3.98Å; L187-F274 HydrophobicContact CD2-CD1 3.99Å; L187-F274 HydrophobicContact CD2-CE1 3.92Å; L187-F274 HydrophobicContact CG-CD1 4.37Å; L187-F274 HydrophobicContact CG-CE1 4.31Å
188	P	94.1	Very high	93.2	Very high	39 Å²	39	26.5 Å²	26.5	25%	0.253	14%	0.137	S	C	.	.			trans	-68.9	122.7	178	-19.1	31.8	0	0	0	111.9	Q186 P269 L271	Q186-P188 WeakPolarHBondContact O-CD 3.47Å; P188-P269 HydrophobicContact CB-CB 4.22Å; P188-L271 HydrophobicContact CG-CD2 4.23Å
189	L	93.6	Very high	93.1	Very high	18 Å²	18	26.3 Å²	26.3	9%	0.094	14%	0.137	C	C	.	.			trans	-126.1	80.2	176.6	-60.6	176.4	0	0	0	111.1	Y178 K182 L187 L191 V194	Y178-L189 HydrophobicContact CD2-CD1 4.06Å; Y178-L189 HydrophobicContact CG-CD1 3.94Å; K182-L189 HydrophobicContact CB-CD1 3.89Å; K182-L189 HydrophobicContact CG-CD1 4.37Å; L187-L189 HydrophobicContact CD2-CD2 4.1Å; L187-L189 HydrophobicContact CG-CD2 4.35Å; L187-L189 PolarHBondContact O-N 2.79Å; L189-L191 PolarHBondContact O-N 2.94Å; L189-V194 HydrophobicContact CD2-CG1 4.09Å
190	P	95	Very high	93.2	Very high	39 Å²	39	29.6 Å²	29.6	25%	0.253	15%	0.151	S	C	.	.			trans	-65.2	109	179.3	-22.5	35.6	0	0	0	111.6	S192 Y193 V194 P269	P190-S192 PolarHBondContact O-N 3.22Å; P190-Y193 HydrophobicContact CB-CD1 4.13Å; P190-Y193 HydrophobicContact CB-CE1 3.52Å; P190-Y193 HydrophobicContact CG-CE1 3.92Å; P190-Y193 PolarHBondContact O-N 2.83Å; P190-V194 WeakPolarHBondContact O-CB 3.33Å; P190-V194 PolarHBondContact O-N 3.48Å; P190-P269 HydrophobicContact CG-CG 4.42Å
191	L	94.8	Very high	93.3	Very high	32 Å²	32	29 Å²	29	17%	0.168	15%	0.148	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.2	-9	-176.6	-62.1	177.1	0	0	0	114.4	L189 Y193 V196 N213 M214	L189-L191 PolarHBondContact O-N 2.94Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; L191-V196 HydrophobicContact CD2-CG2 3.8Å; L191-N213 PolarHBondContact O-ND2 2.83Å; L191-M214 HydrophobicContact CB-CE 4.5Å; L191-M214 HydrophobicContact CD1-CE 3.9Å; L191-M214 HydrophobicContact CD1-SD 3.56Å; L191-M214 VanDerWaalsContact CD1-SD 3.56Å
192	S	94.6	Very high	93.2	Very high	68 Å²	68	30.9 Å²	30.9	48%	0.476	16%	0.16	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-25.9	176.1	50.5	0	0	0	0	113.5	P190 R210	P190-S192 PolarHBondContact O-N 3.22Å; S192-R210 VanDerWaalsContact O-CD 3.31Å; S192-R210 WeakPolarHBondContact O-CD 3.27Å
193	Y	94.8	Very high	93.3	Very high	89 Å²	89	30.6 Å²	30.6	35%	0.349	16%	0.161	S	C	.	.	T	Hydrogen-bonded Turn	trans	-147.3	-9.6	179.8	65.9	-91.6	0	0	0	114.2	P190 L191 P195 D203 P269	P190-Y193 HydrophobicContact CB-CD1 4.13Å; P190-Y193 HydrophobicContact CB-CE1 3.52Å; P190-Y193 HydrophobicContact CG-CE1 3.92Å; P190-Y193 PolarHBondContact O-N 2.83Å; L191-Y193 VanDerWaalsContact C-N 3.31Å; Y193-P195 VanDerWaalsContact O-CD 3.31Å; Y193-P195 WeakPolarHBondContact O-CD 3.26Å; Y193-D203 VanDerWaalsContact O-CA 3.23Å; Y193-D203 WeakPolarHBondContact O-CA 3.43Å; Y193-D203 WeakPolarHBondContact O-CB 3.45Å; Y193-P269 VanDerWaalsContact OH-CD 3.25Å; Y193-P269 WeakPolarHBondContact OH-CD 3.37Å; Y193-P269 WeakPolarHBondContact OH-CG 3.28Å
194	V	95.6	Very high	93.5	Very high	8 Å²	8	34.1 Å²	34.1	5%	0.048	18%	0.183	C	C	.	.	S	Bend	trans	-91.7	111.6	172.3	-177	0	0	0	0	108.7	L189 P190 N213 R268	L189-V194 HydrophobicContact CD2-CG1 4.09Å; P190-V194 WeakPolarHBondContact O-CB 3.33Å; P190-V194 PolarHBondContact O-N 3.48Å; V194-N213 PolarHBondContact O-ND2 3.04Å; V194-R268 HydrophobicContact CG2-CB 3.79Å
195	P	94.7	Very high	93.6	Very high	7 Å²	7	35 Å²	35	5%	0.045	19%	0.188	C	C	.	.	P	Polyproline II helix	trans	-70	135.1	176.8	29	-34	0	0	0	110.3	Y193 I197 L201 N213 Y266	Y193-P195 VanDerWaalsContact O-CD 3.31Å; Y193-P195 WeakPolarHBondContact O-CD 3.26Å; P195-I197 PolarHBondContact O-N 2.83Å; P195-L201 HydrophobicContact CB-CB 3.73Å; P195-N213 WeakPolarHBondContact CA-OD1 3.25Å; P195-Y266 HydrophobicContact CG-CD2 3.79Å; P195-Y266 HydrophobicContact CG-CE2 4.06Å
196	V	93.1	Very high	93.7	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.024	21%	0.211	C	C	.	.	P	Polyproline II helix	trans	-63.9	131.5	171.4	178	0	0	0	0	108.1	L191 G199 N213 L216 F220	L191-V196 HydrophobicContact CD2-CG2 3.8Å; V196-G199 PolarHBondContact O-N 3.06Å; V196-N213 WeakPolarHBondContact CG2-OD1 3.46Å; V196-N213 PolarHBondContact N-OD1 3.37Å; V196-L216 HydrophobicContact CB-CB 4.42Å; V196-L216 HydrophobicContact CG1-CB 4.36Å; V196-F220 HydrophobicContact CG1-CD2 3.77Å; V196-F220 HydrophobicContact CG1-CE2 3.88Å
197	I	89.9	Confident	93.8	Very high	0 Å²	0	44 Å²	44	0%	0	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.2	143.8	176	-168.5	132.4	0	0	0	110.1	F174 Y178 P195 G199	F174-I197 HydrophobicContact CB-CD1 3.71Å; F174-I197 HydrophobicContact CD1-CD1 4.1Å; F174-I197 HydrophobicContact CD2-CB 4.36Å; F174-I197 HydrophobicContact CD2-CD1 3.79Å; F174-I197 HydrophobicContact CD2-CG1 3.8Å; F174-I197 HydrophobicContact CD2-CG2 3.72Å; F174-I197 HydrophobicContact CE2-CD1 4.44Å; F174-I197 HydrophobicContact CE2-CG1 4.2Å; F174-I197 HydrophobicContact CE2-CG2 4.42Å; F174-I197 HydrophobicContact CG-CD1 3.6Å; F174-I197 HydrophobicContact CG-CG1 4.15Å; F174-I197 HydrophobicContact CG-CG2 4.47Å; Y178-I197 HydrophobicContact CD1-CG2 4.14Å; Y178-I197 HydrophobicContact CD2-CB 4.24Å; Y178-I197 HydrophobicContact CD2-CG2 4.13Å; Y178-I197 HydrophobicContact CE1-CB 4.02Å; Y178-I197 HydrophobicContact CE1-CD1 3.97Å; Y178-I197 HydrophobicContact CE1-CG2 4.13Å; Y178-I197 HydrophobicContact CE2-CB 3.72Å; Y178-I197 HydrophobicContact CE2-CG2 4.11Å; Y178-I197 HydrophobicContact CG-CG2 4.14Å; P195-I197 PolarHBondContact O-N 2.83Å; I197-G199 PolarHBondContact O-N 2.89Å
198	M	85.1	Confident	93.9	Very high	60 Å²	60	48.9 Å²	48.9	30%	0.296	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	71.5	4.4	-171.1	-46.9	175.2	69.2	0	0	115.2	F174 M176 F220	F174-M198 HydrophobicContact CE2-SD 4.39Å; M176-M198 HydrophobicContact CE-SD 4.29Å; M176-M198 HydrophobicContact SD-CE 4.33Å; M176-M198 HydrophobicContact SD-SD 3.39Å; M198-F220 HydrophobicContact SD-CZ 4.21Å
199	G	89.6	Confident	94.1	Very high	2 Å²	2	50.3 Å²	50.3	2%	0.021	27%	0.267	C	S	.	.	S	Bend	trans	-83.2	-13.5	175.8	0	0	0	0	0	115.9	V196 I197 L201 K212	V196-G199 PolarHBondContact O-N 3.06Å; I197-G199 PolarHBondContact O-N 2.89Å; G199-L201 PolarHBondContact O-N 3.25Å; G199-K212 PolarHBondContact O-NZ 3.25Å; G199-K212 VanDerWaalsContact O-NZ 3.08Å
200	E	93	Very high	94.2	Very high	83 Å²	83	54.7 Å²	54.7	39%	0.388	28%	0.282	S	S	.	.			trans	52.5	32.6	-170.4	-57.3	-168.4	-144.1	0	0	113.9	P400 A404 K414	E200-P400 HydrophobicContact CG-CB 4.15Å; E200-P400 WeakPolarHBondContact OE1-CB 3.15Å; E200-A404 HydrophobicContact CB-CB 4.14Å; E200-A404 HydrophobicContact CG-CB 4.48Å; E200-K414 VanDerWaalsContact CD-NZ 3.32Å; E200-K414 IonicContact OE1-NZ 2.78Å; E200-K414 PolarHBondContact OE1-NZ 2.96Å; E200-K414 IonicContact OE2-NZ 3.8Å; E200-K414 PolarHBondContact OE2-NZ 3.34Å
201	L	94.3	Very high	94.3	Very high	6 Å²	6	56 Å²	56	3%	0.031	29%	0.289	C	S	.	.			trans	-102.2	163.6	-179.9	-63.6	177.3	0	0	0	111.6	P195 G199 M205 E209 K212 N213	P195-L201 HydrophobicContact CB-CB 3.73Å; G199-L201 PolarHBondContact O-N 3.25Å; L201-M205 HydrophobicContact CB-CG 4.42Å; L201-M205 HydrophobicContact CB-SD 4.17Å; L201-M205 HydrophobicContact CD1-SD 3.84Å; L201-E209 HydrophobicContact CD2-CB 4.02Å; L201-E209 HydrophobicContact CD2-CG 3.92Å; L201-K212 HydrophobicContact CD2-CD 4.34Å; L201-N213 HydrophobicContact CD1-CB 3.7Å
202	T	94.1	Very high	94.4	Very high	42 Å²	42	59.5 Å²	59.5	26%	0.258	30%	0.303	S	S	.	.			trans	-104.1	177.5	173.4	76	0	0	0	0	111.3	N204 M205 Y266 A408	T202-N204 PolarHBondContact OG1-N 3.23Å; T202-N204 VanDerWaalsContact OG1-N 3.14Å; T202-N204 PolarHBondContact OG1-O 3.48Å; T202-M205 WeakPolarHBondContact O-CG 3.44Å; T202-Y266 WeakPolarHBondContact CB-OH 2.97Å; T202-Y266 WeakPolarHBondContact CG2-OH 3.36Å; T202-A408 HydrophobicContact CG2-CB 4.02Å
203	D	94.1	Very high	94.4	Very high	46 Å²	46	56.2 Å²	56.2	25%	0.246	28%	0.28	C	S	.	.	S	Bend	trans	-74.4	-15.2	169.8	60.7	-13.3	0	0	0	113.7	Y193 Y266	Y193-D203 VanDerWaalsContact O-CA 3.23Å; Y193-D203 WeakPolarHBondContact O-CA 3.43Å; Y193-D203 WeakPolarHBondContact O-CB 3.45Å; D203-Y266 HydrophobicContact CB-CD1 3.95Å; D203-Y266 HydrophobicContact CB-CD2 4.1Å; D203-Y266 HydrophobicContact CB-CG 3.68Å; D203-Y266 WeakPolarHBondContact OD1-CD1 3.44Å; D203-Y266 WeakPolarHBondContact OD2-CD1 3.45Å
204	N	94.8	Very high	94.5	Very high	130 Å²	130	56.2 Å²	56.2	70%	0.695	29%	0.285	S	S	*	.	S	Bend	trans	-102.9	77.5	176.3	-71.1	-72.3	0	0	0	110.4	T202	T202-N204 PolarHBondContact OG1-N 3.23Å; T202-N204 VanDerWaalsContact OG1-N 3.14Å; T202-N204 PolarHBondContact OG1-O 3.48Å
205	M	95.6	Very high	94.3	Very high	21 Å²	21	61.4 Å²	61.4	10%	0.103	31%	0.31	C	S	.	.			trans	-94.4	136.5	-177.8	-68.7	176.8	-82.9	0	0	112.9	L201 T202 E209 R210 N213	L201-M205 HydrophobicContact CB-CG 4.42Å; L201-M205 HydrophobicContact CB-SD 4.17Å; L201-M205 HydrophobicContact CD1-SD 3.84Å; T202-M205 WeakPolarHBondContact O-CG 3.44Å; M205-E209 HydrophobicContact CB-CB 3.8Å; M205-E209 HydrophobicContact CG-CB 4Å; M205-R210 HydrophobicContact CB-CG 3.62Å; M205-R210 HydrophobicContact CE-CG 4.44Å; M205-R210 HydrophobicContact SD-CG 4.32Å; M205-N213 HydrophobicContact SD-CB 3.78Å
206	T	97.1	Very high	94.2	Very high	81 Å²	81	63 Å²	63	50%	0.497	32%	0.318	S	S	.	.			trans	-64.8	168.4	161.7	62.7	0	0	0	0	111.4	T208 E209 R210	T206-T208 VanDerWaalsContact C-N 3.33Å; T206-T208 PolarHBondContact O-N 3.41Å; T206-E209 WeakPolarHBondContact CB-OE2 3.45Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.42Å; T206-E209 PolarHBondContact N-OE2 3.18Å; T206-E209 PolarHBondContact O-N 3.26Å; T206-E209 WeakPolarHBondContact OG1-CG 3.43Å; T206-E209 PolarHBondContact OG1-N 3.43Å; T206-E209 PolarHBondContact OG1-OE2 3Å; T206-R210 WeakPolarHBondContact O-CG 3.47Å; T206-R210 PolarHBondContact O-N 2.75Å
207	F	97.1	Very high	94.1	Very high	146 Å²	146	63.1 Å²	63.1	64%	0.64	32%	0.319	S	S	*	.	H	α-helix	trans	-56.5	-46	176.2	176.3	-101.6	0	0	0	112.5	E209 R210 V211	F207-E209 VanDerWaalsContact C-N 3.32Å; F207-E209 PolarHBondContact O-N 3.04Å; F207-R210 PolarHBondContact O-N 2.97Å; F207-R210 VanDerWaalsContact O-N 3.16Å; F207-V211 HydrophobicContact CD1-CG2 4.26Å; F207-V211 HydrophobicContact CE1-CG2 3.79Å; F207-V211 HydrophobicContact CE2-CG2 4.25Å; F207-V211 HydrophobicContact CZ-CG2 3.78Å; F207-V211 WeakPolarHBondContact O-CG2 3.4Å; F207-V211 PolarHBondContact O-N 3.29Å
208	T	97.5	Very high	94.2	Very high	106 Å²	106	66.1 Å²	66.1	65%	0.65	34%	0.335	S	S	*	.	H	α-helix	trans	-63.3	-38.9	179	-51.5	0	0	0	0	111.9	T206 V211 K212	T206-T208 VanDerWaalsContact C-N 3.33Å; T206-T208 PolarHBondContact O-N 3.41Å; T208-V211 WeakPolarHBondContact O-CB 3.1Å; T208-V211 PolarHBondContact O-N 3.32Å; T208-K212 PolarHBondContact O-N 2.78Å
209	E	96.7	Very high	94.3	Very high	69 Å²	69	67.7 Å²	67.7	32%	0.322	34%	0.34	S	S	.	.	H	α-helix	trans	-66.9	-37.1	174.5	-72.4	165.6	138	0	0	112	L201 M205 T206 F207 K212 N213	L201-E209 HydrophobicContact CD2-CB 4.02Å; L201-E209 HydrophobicContact CD2-CG 3.92Å; M205-E209 HydrophobicContact CB-CB 3.8Å; M205-E209 HydrophobicContact CG-CB 4Å; T206-E209 WeakPolarHBondContact CB-OE2 3.45Å; T206-E209 WeakPolarHBondContact CG2-OE2 3.42Å; T206-E209 PolarHBondContact N-OE2 3.18Å; T206-E209 PolarHBondContact O-N 3.26Å; T206-E209 WeakPolarHBondContact OG1-CG 3.43Å; T206-E209 PolarHBondContact OG1-N 3.43Å; T206-E209 PolarHBondContact OG1-OE2 3Å; F207-E209 VanDerWaalsContact C-N 3.32Å; F207-E209 PolarHBondContact O-N 3.04Å; E209-K212 WeakPolarHBondContact O-CB 3.41Å; E209-K212 PolarHBondContact O-N 3.38Å; E209-N213 WeakPolarHBondContact O-CB 3.35Å; E209-N213 PolarHBondContact O-N 2.93Å
210	R	97.4	Very high	94.1	Very high	109 Å²	109	68.2 Å²	68.2	41%	0.411	34%	0.342	S	S	.	.	H	α-helix	trans	-65.4	-37.2	172.3	-69.3	-170.7	-60.1	-156.2	-0.1	112.6	S192 M205 T206 F207 N213 M214	S192-R210 VanDerWaalsContact O-CD 3.31Å; S192-R210 WeakPolarHBondContact O-CD 3.27Å; M205-R210 HydrophobicContact CB-CG 3.62Å; M205-R210 HydrophobicContact CE-CG 4.44Å; M205-R210 HydrophobicContact SD-CG 4.32Å; T206-R210 WeakPolarHBondContact O-CG 3.47Å; T206-R210 PolarHBondContact O-N 2.75Å; F207-R210 PolarHBondContact O-N 2.97Å; F207-R210 VanDerWaalsContact O-N 3.16Å; R210-N213 PolarHBondContact O-N 3.45Å; R210-M214 WeakPolarHBondContact O-CB 3.38Å; R210-M214 PolarHBondContact O-N 3.05Å
211	V	97.1	Very high	93.7	Very high	67 Å²	67	66.2 Å²	66.2	41%	0.406	33%	0.332	S	S	.	.	H	α-helix	trans	-61.6	-47.1	171.8	172.5	0	0	0	0	109.9	F207 T208 N213 M214 M215	F207-V211 HydrophobicContact CD1-CG2 4.26Å; F207-V211 HydrophobicContact CE1-CG2 3.79Å; F207-V211 HydrophobicContact CE2-CG2 4.25Å; F207-V211 HydrophobicContact CZ-CG2 3.78Å; F207-V211 WeakPolarHBondContact O-CG2 3.4Å; F207-V211 PolarHBondContact O-N 3.29Å; T208-V211 WeakPolarHBondContact O-CB 3.1Å; T208-V211 PolarHBondContact O-N 3.32Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 3.48Å; V211-M214 PolarHBondContact O-N 3.25Å; V211-M215 HydrophobicContact CG1-CG 4.45Å; V211-M215 WeakPolarHBondContact O-CG 3.47Å; V211-M215 PolarHBondContact O-N 3.33Å
212	K	95.3	Very high	93.1	Very high	105 Å²	105	71.9 Å²	71.9	46%	0.457	36%	0.357	S	S	.	.	H	α-helix	trans	-58	-45.3	174.3	-177.2	-173.2	175	-160.9	0	111.5	G199 L201 T208 E209 M214 M215 L216	G199-K212 PolarHBondContact O-NZ 3.25Å; G199-K212 VanDerWaalsContact O-NZ 3.08Å; L201-K212 HydrophobicContact CD2-CD 4.34Å; T208-K212 PolarHBondContact O-N 2.78Å; E209-K212 WeakPolarHBondContact O-CB 3.41Å; E209-K212 PolarHBondContact O-N 3.38Å; K212-M214 PolarHBondContact O-N 3.44Å; K212-M215 PolarHBondContact O-N 2.99Å; K212-L216 HydrophobicContact CG-CD1 4.19Å; K212-L216 WeakPolarHBondContact O-CG 3.46Å; K212-L216 PolarHBondContact O-N 3.2Å
213	N	96.1	Very high	91.9	Very high	0 Å²	0	71.5 Å²	71.5	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-60.3	-45.1	179.2	-161.8	46.6	0	0	0	111.8	L191 V194 P195 V196 L201 M205 E209 R210 V211 L216 S217	L191-N213 PolarHBondContact O-ND2 2.83Å; V194-N213 PolarHBondContact O-ND2 3.04Å; P195-N213 WeakPolarHBondContact CA-OD1 3.25Å; V196-N213 WeakPolarHBondContact CG2-OD1 3.46Å; V196-N213 PolarHBondContact N-OD1 3.37Å; L201-N213 HydrophobicContact CD1-CB 3.7Å; M205-N213 HydrophobicContact SD-CB 3.78Å; E209-N213 WeakPolarHBondContact O-CB 3.35Å; E209-N213 PolarHBondContact O-N 2.93Å; R210-N213 PolarHBondContact O-N 3.45Å; V211-N213 VanDerWaalsContact C-N 3.34Å; V211-N213 PolarHBondContact O-N 3.48Å; N213-L216 PolarHBondContact O-N 2.75Å; N213-S217 PolarHBondContact O-N 3.47Å
214	M	95.4	Very high	90.5	Very high	89 Å²	89	72.3 Å²	72.3	44%	0.438	37%	0.365	S	S	.	.	H	α-helix	trans	-61.4	-48.6	175	-179.4	64	77.5	0	0	111.3	L191 R210 V211 K212 L216 S217 L218	L191-M214 HydrophobicContact CB-CE 4.5Å; L191-M214 HydrophobicContact CD1-CE 3.9Å; L191-M214 HydrophobicContact CD1-SD 3.56Å; L191-M214 VanDerWaalsContact CD1-SD 3.56Å; R210-M214 WeakPolarHBondContact O-CB 3.38Å; R210-M214 PolarHBondContact O-N 3.05Å; V211-M214 PolarHBondContact O-N 3.25Å; K212-M214 PolarHBondContact O-N 3.44Å; M214-L216 VanDerWaalsContact C-N 3.3Å; M214-L216 PolarHBondContact O-N 3.01Å; M214-S217 WeakPolarHBondContact O-CB 3.4Å; M214-S217 PolarHBondContact O-N 3.04Å; M214-S217 VanDerWaalsContact O-N 3.15Å; M214-L218 HydrophobicContact CG-CD1 4.09Å; M214-L218 HydrophobicContact CG-CG 4.48Å; M214-L218 WeakPolarHBondContact O-CG 3.28Å; M214-L218 PolarHBondContact O-N 2.89Å; M214-L218 HydrophobicContact SD-CD1 4.45Å; M214-L218 HydrophobicContact SD-CG 4.38Å
215	M	93.2	Very high	89.2	Confident	116 Å²	116	66.8 Å²	66.8	57%	0.571	33%	0.334	S	S	*	.	H	α-helix	trans	-61	-38.8	178.9	-70.1	-55.9	-60.1	0	0	112.3	V211 K212 L218 F219	V211-M215 HydrophobicContact CG1-CG 4.45Å; V211-M215 WeakPolarHBondContact O-CG 3.47Å; V211-M215 PolarHBondContact O-N 3.33Å; K212-M215 PolarHBondContact O-N 2.99Å; M215-L218 PolarHBondContact O-N 3.28Å; M215-L218 HydrophobicContact SD-CD1 4.33Å; M215-F219 WeakPolarHBondContact O-CB 3.33Å; M215-F219 PolarHBondContact O-N 2.85Å
216	L	91.4	Very high	87.7	Confident	41 Å²	41	71 Å²	71	22%	0.215	35%	0.354	C	S	.	.	H	α-helix	trans	-64.5	-44.3	173.7	-73.5	172	0	0	0	111.7	V196 K212 N213 M214 L218 F219 F220	V196-L216 HydrophobicContact CB-CB 4.42Å; V196-L216 HydrophobicContact CG1-CB 4.36Å; K212-L216 HydrophobicContact CG-CD1 4.19Å; K212-L216 WeakPolarHBondContact O-CG 3.46Å; K212-L216 PolarHBondContact O-N 3.2Å; N213-L216 PolarHBondContact O-N 2.75Å; M214-L216 VanDerWaalsContact C-N 3.3Å; M214-L216 PolarHBondContact O-N 3.01Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.38Å; L216-F219 WeakPolarHBondContact O-CB 3.47Å; L216-F219 PolarHBondContact O-N 3.05Å; L216-F220 WeakPolarHBondContact O-CD2 3.47Å; L216-F220 PolarHBondContact O-N 3.45Å
217	S	92.2	Very high	86.1	Confident	7 Å²	7	73.5 Å²	73.5	5%	0.049	36%	0.355	C	S	.	.	H	α-helix	trans	-57.5	-47.5	175.6	-175.6	0	0	0	0	111.3	N213 M214 F219 F220 E221	N213-S217 PolarHBondContact O-N 3.47Å; M214-S217 WeakPolarHBondContact O-CB 3.4Å; M214-S217 PolarHBondContact O-N 3.04Å; M214-S217 VanDerWaalsContact O-N 3.15Å; S217-F219 VanDerWaalsContact C-N 3.32Å; S217-F219 PolarHBondContact O-N 3.46Å; S217-F220 PolarHBondContact O-N 2.73Å; S217-E221 VanDerWaalsContact O-CB 3.28Å; S217-E221 WeakPolarHBondContact O-CB 3.41Å; S217-E221 PolarHBondContact O-N 2.9Å
218	L	90.4	Very high	85	Confident	63 Å²	63	68.7 Å²	68.7	33%	0.33	34%	0.336	S	S	.	.	H	α-helix	trans	-64.3	-38.5	179.1	-64.7	170.9	0	0	0	111.3	M214 M215 L216 E221 F222	M214-L218 HydrophobicContact CG-CD1 4.09Å; M214-L218 HydrophobicContact CG-CG 4.48Å; M214-L218 WeakPolarHBondContact O-CG 3.28Å; M214-L218 PolarHBondContact O-N 2.89Å; M214-L218 HydrophobicContact SD-CD1 4.45Å; M214-L218 HydrophobicContact SD-CG 4.38Å; M215-L218 PolarHBondContact O-N 3.28Å; M215-L218 HydrophobicContact SD-CD1 4.33Å; L216-L218 VanDerWaalsContact C-N 3.33Å; L216-L218 PolarHBondContact O-N 3.38Å; L218-E221 PolarHBondContact O-N 3.42Å; L218-F222 HydrophobicContact CB-CD2 4.3Å; L218-F222 HydrophobicContact CD2-CD2 4.26Å; L218-F222 HydrophobicContact CD2-CE2 3.71Å; L218-F222 WeakPolarHBondContact O-CB 3.21Å; L218-F222 VanDerWaalsContact O-CD2 3.28Å; L218-F222 WeakPolarHBondContact O-CD2 3.37Å; L218-F222 PolarHBondContact O-N 2.86Å
219	F	87.4	Confident	84.4	Confident	93 Å²	93	64.7 Å²	64.7	41%	0.408	31%	0.31	S	S	.	.	H	α-helix	trans	-61.4	-45.8	176	172.3	-100.8	0	0	0	112.1	T109 M215 L216 S217 G223 I224	T109-F219 HydrophobicContact CG2-CZ 3.89Å; M215-F219 WeakPolarHBondContact O-CB 3.33Å; M215-F219 PolarHBondContact O-N 2.85Å; L216-F219 WeakPolarHBondContact O-CB 3.47Å; L216-F219 PolarHBondContact O-N 3.05Å; S217-F219 VanDerWaalsContact C-N 3.32Å; S217-F219 PolarHBondContact O-N 3.46Å; F219-G223 WeakPolarHBondContact O-CA 3.39Å; F219-G223 PolarHBondContact O-N 3.21Å; F219-I224 HydrophobicContact CE1-CD1 4.03Å; F219-I224 HydrophobicContact CE1-CG1 4.39Å; F219-I224 HydrophobicContact CZ-CD1 4.44Å
220	F	86.3	Confident	84	Confident	13 Å²	13	64.3 Å²	64.3	6%	0.057	32%	0.318	C	S	.	.	I	π-helix	trans	-66.8	-41.9	177	-74.8	-66.5	0	0	0	112.1	M176 T179 V196 M198 L216 S217 I224 Q225	M176-F220 HydrophobicContact CB-CD1 3.94Å; M176-F220 HydrophobicContact CB-CE1 4.01Å; M176-F220 HydrophobicContact SD-CE1 4.45Å; T179-F220 HydrophobicContact CG2-CB 4.02Å; V196-F220 HydrophobicContact CG1-CD2 3.77Å; V196-F220 HydrophobicContact CG1-CE2 3.88Å; M198-F220 HydrophobicContact SD-CZ 4.21Å; L216-F220 WeakPolarHBondContact O-CD2 3.47Å; L216-F220 PolarHBondContact O-N 3.45Å; S217-F220 PolarHBondContact O-N 2.73Å; F220-I224 HydrophobicContact CD1-CD1 3.84Å; F220-I224 HydrophobicContact CE1-CD1 3.94Å; F220-I224 PolarHBondContact O-N 3.31Å; F220-Q225 WeakPolarHBondContact O-CB 3.33Å; F220-Q225 PolarHBondContact O-N 3.3Å; F220-Q225 VanDerWaalsContact O-N 3.1Å
221	E	83.8	Confident	83.6	Confident	40 Å²	40	61.9 Å²	61.9	19%	0.187	31%	0.311	C	S	.	.	I	π-helix	trans	-64.6	-43.1	-179.4	176	170.8	-154.7	0	0	113.5	Y183 S217 L218 Q225	Y183-E221 HydrophobicContact CE2-CG 4.31Å; Y183-E221 VanDerWaalsContact CZ-OE1 3.3Å; Y183-E221 WeakPolarHBondContact OH-CG 3.35Å; Y183-E221 PolarHBondContact OH-OE1 2.82Å; Y183-E221 PolarHBondContact OH-OE2 3.2Å; S217-E221 VanDerWaalsContact O-CB 3.28Å; S217-E221 WeakPolarHBondContact O-CB 3.41Å; S217-E221 PolarHBondContact O-N 2.9Å; L218-E221 PolarHBondContact O-N 3.42Å; E221-Q225 WeakPolarHBondContact O-CB 3.29Å
222	F	81.6	Confident	83.4	Confident	126 Å²	126	58.8 Å²	58.8	55%	0.553	29%	0.292	S	S	*	.	I	π-helix	trans	-102.3	-29.4	-175.3	-64.2	-67.4	0	0	0	113.7	L218	L218-F222 HydrophobicContact CB-CD2 4.3Å; L218-F222 HydrophobicContact CD2-CD2 4.26Å; L218-F222 HydrophobicContact CD2-CE2 3.71Å; L218-F222 WeakPolarHBondContact O-CB 3.21Å; L218-F222 VanDerWaalsContact O-CD2 3.28Å; L218-F222 WeakPolarHBondContact O-CD2 3.37Å; L218-F222 PolarHBondContact O-N 2.86Å
223	G	69.3	Low	83.4	Confident	33 Å²	33	55.8 Å²	55.8	34%	0.34	28%	0.281	S	S	.	.	I	π-helix	trans	-87.6	-38.5	-174	0	0	0	0	0	114.5	F219	F219-G223 WeakPolarHBondContact O-CA 3.39Å; F219-G223 PolarHBondContact O-N 3.21Å
224	I	65.8	Low	83.3	Confident	64 Å²	64	62.2 Å²	62.2	33%	0.328	31%	0.309	S	S	.	.	I	π-helix	trans	-107.5	-47.2	-174.9	-60.1	-172.6	0	0	0	111	F219 F220	F219-I224 HydrophobicContact CE1-CD1 4.03Å; F219-I224 HydrophobicContact CE1-CG1 4.39Å; F219-I224 HydrophobicContact CZ-CD1 4.44Å; F220-I224 HydrophobicContact CD1-CD1 3.84Å; F220-I224 HydrophobicContact CE1-CD1 3.94Å; F220-I224 PolarHBondContact O-N 3.31Å
225	Q	67.8	Low	83.3	Confident	13 Å²	13	58.2 Å²	58.2	6%	0.061	29%	0.289	C	S	.	.	H	α-helix	trans	-67.7	-39.8	-170.8	-174.9	-177	-9.8	0	0	114.1	T179 Y183 F220 E221 Y227 F229	T179-Q225 HydrophobicContact CG2-CB 4.35Å; T179-Q225 VanDerWaalsContact CG2-OE1 3.25Å; Y183-Q225 VanDerWaalsContact CD2-OE1 3.29Å; Y183-Q225 VanDerWaalsContact CE2-OE1 3.27Å; F220-Q225 WeakPolarHBondContact O-CB 3.33Å; F220-Q225 PolarHBondContact O-N 3.3Å; F220-Q225 VanDerWaalsContact O-N 3.1Å; E221-Q225 WeakPolarHBondContact O-CB 3.29Å; Q225-Y227 PolarHBondContact O-N 2.63Å; Q225-F229 HydrophobicContact CG-CD1 4.15Å; Q225-F229 HydrophobicContact CG-CD2 3.63Å; Q225-F229 HydrophobicContact CG-CE1 4Å; Q225-F229 HydrophobicContact CG-CE2 3.47Å; Q225-F229 VanDerWaalsContact CG-CE2 3.47Å; Q225-F229 HydrophobicContact CG-CG 3.98Å; Q225-F229 HydrophobicContact CG-CZ 3.66Å; Q225-F229 VanDerWaalsContact O-CB 3.31Å; Q225-F229 WeakPolarHBondContact O-CB 3.47Å; Q225-F229 WeakPolarHBondContact O-CG 3.48Å; Q225-F229 PolarHBondContact O-N 3.26Å
226	Q	63.1	Low	83.4	Confident	109 Å²	109	52.7 Å²	52.7	51%	0.509	26%	0.262	S	S	.	.	H	α-helix	trans	-65.2	-36.6	-172.2	-67.7	-63.1	-50.4	0	0	113.6	A230	Q226-A230 WeakPolarHBondContact O-CB 3.38Å; Q226-A230 PolarHBondContact O-N 2.76Å
227	Y	63.8	Low	83.7	Confident	135 Å²	135	52.2 Å²	52.2	53%	0.529	26%	0.262	S	S	.	.	H	α-helix	trans	-73.6	-49	-179.2	-176.4	-80.9	0	0	0	111.4	F117 Q225 F229 A230 F231	F117-Y227 AromaticContact CD1-CD1 3.59Å; F117-Y227 HydrophobicContact CD1-CD1 3.59Å; F117-Y227 AromaticContact CD1-CE1 3.36Å; F117-Y227 HydrophobicContact CD1-CE1 3.36Å; F117-Y227 HydrophobicContact CD1-CG 4.45Å; F117-Y227 AromaticContact CE1-CD1 3.02Å; F117-Y227 HydrophobicContact CE1-CD1 3.02Å; F117-Y227 HydrophobicContact CE1-CD2 4.16Å; F117-Y227 AromaticContact CE1-CE1 3.24Å; F117-Y227 HydrophobicContact CE1-CE1 3.24Å; F117-Y227 HydrophobicContact CE1-CE2 4.35Å; F117-Y227 AromaticContact CE1-CG 3.5Å; F117-Y227 HydrophobicContact CE1-CG 3.5Å; F117-Y227 AromaticContact CE1-CZ 3.91Å; F117-Y227 HydrophobicContact CG-CE1 4.37Å; F117-Y227 AromaticContact CZ-CD1 3.89Å; F117-Y227 HydrophobicContact CZ-CD1 3.89Å; F117-Y227 HydrophobicContact CZ-CD2 4.24Å; F117-Y227 HydrophobicContact CZ-CE1 4.07Å; F117-Y227 HydrophobicContact CZ-CE2 4.43Å; F117-Y227 AromaticContact CZ-CG 3.93Å; F117-Y227 HydrophobicContact CZ-CG 3.93Å; Q225-Y227 PolarHBondContact O-N 2.63Å; Y227-F229 PolarHBondContact O-N 3.03Å; Y227-A230 PolarHBondContact O-N 3.33Å; Y227-F231 PolarHBondContact O-N 3.23Å
228	D	74.1	Confident	83.9	Confident	44 Å²	44	56.8 Å²	56.8	24%	0.235	28%	0.283	C	S	.	.	H	α-helix	trans	-66.9	-40.1	-175.5	-161.5	44.2	0	0	0	110.6	T120 F231 W232	T120-D228 WeakPolarHBondContact CG2-OD1 3.21Å; T120-D228 PolarHBondContact OG1-OD1 3.18Å; D228-F231 PolarHBondContact O-N 2.84Å; D228-W232 PolarHBondContact O-N 3.37Å; D228-W232 PolarHBondContact OD1-NE1 3.04Å
229	F	85.6	Confident	84.1	Confident	23 Å²	23	55.3 Å²	55.3	10%	0.101	28%	0.276	C	S	.	.	H	α-helix	trans	-68.1	-42.4	178.8	-75.3	15.2	0	0	0	112.2	I180 Q225 Y227 F231 W232 D233 F246 C247	I180-F229 HydrophobicContact CG1-CZ 4.27Å; Q225-F229 HydrophobicContact CG-CD1 4.15Å; Q225-F229 HydrophobicContact CG-CD2 3.63Å; Q225-F229 HydrophobicContact CG-CE1 4Å; Q225-F229 HydrophobicContact CG-CE2 3.47Å; Q225-F229 VanDerWaalsContact CG-CE2 3.47Å; Q225-F229 HydrophobicContact CG-CG 3.98Å; Q225-F229 HydrophobicContact CG-CZ 3.66Å; Q225-F229 VanDerWaalsContact O-CB 3.31Å; Q225-F229 WeakPolarHBondContact O-CB 3.47Å; Q225-F229 WeakPolarHBondContact O-CG 3.48Å; Q225-F229 PolarHBondContact O-N 3.26Å; Y227-F229 PolarHBondContact O-N 3.03Å; F229-F231 PolarHBondContact O-N 2.8Å; F229-W232 PolarHBondContact O-N 2.74Å; F229-D233 VanDerWaalsContact O-CB 3.24Å; F229-D233 WeakPolarHBondContact O-CB 3.39Å; F229-D233 PolarHBondContact O-N 3.01Å; F229-F246 AromaticContact CD1-CD1 3.79Å; F229-F246 HydrophobicContact CD1-CD1 3.79Å; F229-F246 HydrophobicContact CD1-CE1 4.24Å; F229-F246 AromaticContact CE1-CD1 3.55Å; F229-F246 HydrophobicContact CE1-CD1 3.55Å; F229-F246 AromaticContact CE1-CE1 3.6Å; F229-F246 HydrophobicContact CE1-CE1 3.6Å; F229-F246 HydrophobicContact CE2-CD1 4.34Å; F229-F246 HydrophobicContact CG-CD1 4.3Å; F229-F246 AromaticContact CZ-CD1 3.86Å; F229-F246 HydrophobicContact CZ-CD1 3.86Å; F229-F246 AromaticContact CZ-CE1 3.94Å; F229-F246 HydrophobicContact CZ-CE1 3.94Å; F229-C247 WeakPolarHBondContact CE2-SG 3.31Å
230	A	87.6	Confident	84.5	Confident	60 Å²	60	52.8 Å²	52.8	50%	0.496	27%	0.267	S	S	.	.	H	α-helix	trans	-61.4	-36.1	178.1	0	0	0	0	0	112.3	Q226 Y227 K234	Q226-A230 WeakPolarHBondContact O-CB 3.38Å; Q226-A230 PolarHBondContact O-N 2.76Å; Y227-A230 PolarHBondContact O-N 3.33Å; A230-K234 PolarHBondContact O-N 2.73Å
231	F	89.6	Confident	85	Confident	59 Å²	59	55.6 Å²	55.6	26%	0.259	30%	0.299	S	S	.	.	H	α-helix	trans	-64.2	-51.7	174.2	173.6	-89.9	0	0	0	111.5	T120 E124 Y227 D228 F229 K234 F235	T120-F231 HydrophobicContact CG2-CD1 3.51Å; T120-F231 HydrophobicContact CG2-CE1 3.4Å; T120-F231 VanDerWaalsContact CG2-CE1 3.4Å; T120-F231 HydrophobicContact CG2-CG 4.22Å; T120-F231 HydrophobicContact CG2-CZ 4Å; E124-F231 HydrophobicContact CB-CE1 4.09Å; E124-F231 HydrophobicContact CB-CZ 3.84Å; E124-F231 VanDerWaalsContact CD-CZ 3.46Å; E124-F231 HydrophobicContact CG-CE1 4.24Å; E124-F231 HydrophobicContact CG-CZ 3.85Å; E124-F231 WeakPolarHBondContact OE2-CZ 3.34Å; Y227-F231 PolarHBondContact O-N 3.23Å; D228-F231 PolarHBondContact O-N 2.84Å; F229-F231 PolarHBondContact O-N 2.8Å; F231-K234 PolarHBondContact O-N 2.92Å; F231-F235 PolarHBondContact O-N 3.02Å; F231-F235 VanDerWaalsContact O-N 3.14Å
232	W	92.7	Very high	85.6	Confident	1 Å²	1	58 Å²	58	0%	0.004	31%	0.307	C	S	.	.	H	α-helix	trans	-67.4	-38.9	179.9	-70.7	116.2	0	0	0	112.8	T120 F123 E124 P155 D228 F229 K234 F235 Y236 F246	T120-W232 HydrophobicContact CG2-CZ2 4.18Å; F123-W232 HydrophobicContact CB-CH2 3.94Å; F123-W232 HydrophobicContact CB-CZ2 3.93Å; E124-W232 HydrophobicContact CB-CH2 4.47Å; P155-W232 HydrophobicContact CB-CD2 4.15Å; P155-W232 HydrophobicContact CB-CE3 4.45Å; P155-W232 HydrophobicContact CB-CH2 3.9Å; P155-W232 HydrophobicContact CB-CZ2 3.61Å; P155-W232 HydrophobicContact CB-CZ3 4.32Å; P155-W232 HydrophobicContact CG-CH2 4.38Å; P155-W232 HydrophobicContact CG-CZ2 3.63Å; D228-W232 PolarHBondContact O-N 3.37Å; D228-W232 PolarHBondContact OD1-NE1 3.04Å; F229-W232 PolarHBondContact O-N 2.74Å; W232-K234 VanDerWaalsContact C-N 3.26Å; W232-K234 PolarHBondContact O-N 3.21Å; W232-F235 HydrophobicContact CE3-CB 4.47Å; W232-F235 HydrophobicContact CE3-CD1 4.19Å; W232-F235 HydrophobicContact CZ3-CD1 4.18Å; W232-F235 PolarHBondContact O-N 3.08Å; W232-F235 VanDerWaalsContact O-N 3.17Å; W232-Y236 HydrophobicContact CB-CD1 4.35Å; W232-Y236 HydrophobicContact CB-CE1 4.29Å; W232-Y236 HydrophobicContact CD2-CE1 4.28Å; W232-Y236 HydrophobicContact CE3-CD1 4.17Å; W232-Y236 AromaticContact CE3-CE1 3.5Å; W232-Y236 HydrophobicContact CE3-CE1 3.5Å; W232-Y236 HydrophobicContact CZ3-CE1 4.16Å; W232-Y236 VanDerWaalsContact O-CB 3.3Å; W232-Y236 WeakPolarHBondContact O-CB 3.44Å; W232-Y236 WeakPolarHBondContact O-CD1 3.25Å; W232-Y236 PolarHBondContact O-N 3.49Å; W232-F246 HydrophobicContact CB-CB 3.91Å; W232-F246 HydrophobicContact CB-CD2 4.13Å; W232-F246 HydrophobicContact CB-CG 4.2Å; W232-F246 HydrophobicContact CG-CD2 4.41Å
233	D	94.4	Very high	86.3	Confident	43 Å²	43	57.7 Å²	57.7	23%	0.23	32%	0.317	C	S	.	.	H	α-helix	trans	-54.9	-44.2	175.8	-73.1	-7	0	0	0	111.3	F229 S237 T245 F246	F229-D233 VanDerWaalsContact O-CB 3.24Å; F229-D233 WeakPolarHBondContact O-CB 3.39Å; F229-D233 PolarHBondContact O-N 3.01Å; D233-S237 VanDerWaalsContact O-CB 3.29Å; D233-S237 WeakPolarHBondContact O-CB 3.41Å; D233-S237 PolarHBondContact O-N 3.35Å; D233-S237 PolarHBondContact O-OG 3.05Å; D233-T245 WeakPolarHBondContact OD1-CA 3.32Å; D233-T245 VanDerWaalsContact OD1-CB 3.25Å; D233-T245 WeakPolarHBondContact OD1-CB 3.29Å; D233-F246 PolarHBondContact OD1-N 3.28Å
234	K	94.7	Very high	87.6	Confident	135 Å²	135	56.5 Å²	56.5	59%	0.587	30%	0.303	S	S	*	.	H	α-helix	trans	-63.5	-53	175.6	-178.4	-178.1	172.8	-173.6	0	110.9	A230 F231 W232 Y236 S237 E238	A230-K234 PolarHBondContact O-N 2.73Å; F231-K234 PolarHBondContact O-N 2.92Å; W232-K234 VanDerWaalsContact C-N 3.26Å; W232-K234 PolarHBondContact O-N 3.21Å; K234-Y236 VanDerWaalsContact C-N 3.26Å; K234-Y236 PolarHBondContact O-N 3.48Å; K234-S237 PolarHBondContact O-N 3.45Å; K234-E238 WeakPolarHBondContact CE-OE1 3.45Å; K234-E238 IonicContact NZ-OE1 3.97Å; K234-E238 WeakPolarHBondContact O-CG 3.03Å; K234-E238 PolarHBondContact O-N 2.92Å
235	F	94.8	Very high	88.9	Confident	4 Å²	4	56 Å²	56	2%	0.018	30%	0.303	C	S	.	.	H	α-helix	trans	-58	-40.1	-179.6	-179.2	-95.4	0	0	0	112.2	E124 C127 R128 L131 L159 F231 W232 T239	E124-F235 HydrophobicContact CG-CD2 4.07Å; E124-F235 HydrophobicContact CG-CE2 4.17Å; C127-F235 HydrophobicContact CB-CE1 4.15Å; C127-F235 HydrophobicContact CB-CZ 4.25Å; C127-F235 WeakPolarHBondContact SG-CE1 3.36Å; R128-F235 HydrophobicContact CG-CE2 3.5Å; R128-F235 HydrophobicContact CG-CZ 3.79Å; L131-F235 HydrophobicContact CD1-CE1 4.29Å; L159-F235 HydrophobicContact CD2-CD1 4.14Å; L159-F235 HydrophobicContact CD2-CE1 3.84Å; F231-F235 PolarHBondContact O-N 3.02Å; F231-F235 VanDerWaalsContact O-N 3.14Å; W232-F235 HydrophobicContact CE3-CB 4.47Å; W232-F235 HydrophobicContact CE3-CD1 4.19Å; W232-F235 HydrophobicContact CZ3-CD1 4.18Å; W232-F235 PolarHBondContact O-N 3.08Å; W232-F235 VanDerWaalsContact O-N 3.17Å; F235-T239 WeakPolarHBondContact O-CB 3.35Å; F235-T239 PolarHBondContact O-N 2.8Å; F235-T239 PolarHBondContact O-OG1 3.36Å
236	Y	96.3	Very high	90.2	Very high	0 Å²	0	55.5 Å²	55.5	0%	0	30%	0.301	C	S	.	.	H	α-helix	trans	-71.8	-43.1	-176.9	-79.1	37.6	0	0	0	110.4	C156 E158 L159 W232 K234 T239 L240 F246 T249	C156-Y236 WeakPolarHBondContact CA-OH 3.5Å; C156-Y236 PolarHBondContact N-OH 2.84Å; C156-Y236 VanDerWaalsContact N-OH 3.09Å; E158-Y236 HydrophobicContact CG-CE2 4.17Å; E158-Y236 PolarHBondContact OE1-OH 3.37Å; L159-Y236 HydrophobicContact CB-CD2 4.31Å; L159-Y236 HydrophobicContact CB-CE1 4.37Å; L159-Y236 HydrophobicContact CB-CE2 3.81Å; L159-Y236 HydrophobicContact CD1-CD2 4.13Å; L159-Y236 HydrophobicContact CD1-CE2 4.48Å; L159-Y236 HydrophobicContact CD1-CG 4.31Å; L159-Y236 HydrophobicContact CD2-CD1 3.74Å; L159-Y236 HydrophobicContact CD2-CD2 4.3Å; L159-Y236 HydrophobicContact CD2-CE1 3.74Å; L159-Y236 HydrophobicContact CD2-CE2 4.34Å; L159-Y236 HydrophobicContact CD2-CG 3.98Å; L159-Y236 HydrophobicContact CG-CD2 4.49Å; L159-Y236 HydrophobicContact CG-CE2 4.44Å; W232-Y236 HydrophobicContact CB-CD1 4.35Å; W232-Y236 HydrophobicContact CB-CE1 4.29Å; W232-Y236 HydrophobicContact CD2-CE1 4.28Å; W232-Y236 HydrophobicContact CE3-CD1 4.17Å; W232-Y236 AromaticContact CE3-CE1 3.5Å; W232-Y236 HydrophobicContact CE3-CE1 3.5Å; W232-Y236 HydrophobicContact CZ3-CE1 4.16Å; W232-Y236 VanDerWaalsContact O-CB 3.3Å; W232-Y236 WeakPolarHBondContact O-CB 3.44Å; W232-Y236 WeakPolarHBondContact O-CD1 3.25Å; W232-Y236 PolarHBondContact O-N 3.49Å; K234-Y236 VanDerWaalsContact C-N 3.26Å; K234-Y236 PolarHBondContact O-N 3.48Å; Y236-T239 PolarHBondContact O-N 2.84Å; Y236-L240 WeakPolarHBondContact O-CB 3.47Å; Y236-L240 WeakPolarHBondContact O-CG 3.48Å; Y236-L240 PolarHBondContact O-N 3.04Å; Y236-F246 AromaticContact CE2-CD2 3.98Å; Y236-F246 HydrophobicContact CE2-CD2 3.98Å; Y236-F246 AromaticContact CZ-CD2 3.95Å; Y236-T249 HydrophobicContact CD2-CG2 4.07Å; Y236-T249 HydrophobicContact CE2-CG2 3.94Å
237	S	96.9	Very high	91.6	Very high	32 Å²	32	51.5 Å²	51.5	22%	0.224	29%	0.285	C	S	.	.	H	α-helix	trans	-62.8	-42.9	176.3	-65.7	0	0	0	0	112.2	D233 K234 G241 R242 T244	D233-S237 VanDerWaalsContact O-CB 3.29Å; D233-S237 WeakPolarHBondContact O-CB 3.41Å; D233-S237 PolarHBondContact O-N 3.35Å; D233-S237 PolarHBondContact O-OG 3.05Å; K234-S237 PolarHBondContact O-N 3.45Å; S237-G241 WeakPolarHBondContact O-CA 3.3Å; S237-G241 PolarHBondContact O-N 3.01Å; S237-R242 VanDerWaalsContact CA-O 3.27Å; S237-R242 WeakPolarHBondContact CA-O 3.31Å; S237-R242 PolarHBondContact O-N 2.76Å; S237-T244 PolarHBondContact OG-N 2.86Å; S237-T244 VanDerWaalsContact OG-N 3.07Å; S237-T244 PolarHBondContact OG-O 2.98Å
238	E	96.1	Very high	93.1	Very high	103 Å²	103	48.6 Å²	48.6	48%	0.481	28%	0.276	S	S	.	.	H	α-helix	trans	-62.6	-44.4	175.5	-73.7	176.3	-178	0	0	111.4	K234 G241	K234-E238 WeakPolarHBondContact CE-OE1 3.45Å; K234-E238 IonicContact NZ-OE1 3.97Å; K234-E238 WeakPolarHBondContact O-CG 3.03Å; K234-E238 PolarHBondContact O-N 2.92Å; E238-G241 PolarHBondContact O-N 3.26Å
239	T	95.3	Very high	94.1	Very high	31 Å²	31	46.5 Å²	46.5	19%	0.19	27%	0.265	C	S	.	.	H	α-helix	trans	-68.8	-39.4	-177.7	-58	0	0	0	0	112.8	L131 Y132 L159 F235 Y236	L131-T239 HydrophobicContact CB-CG2 4.43Å; L131-T239 HydrophobicContact CD1-CG2 3.87Å; Y132-T239 HydrophobicContact CE1-CG2 4.17Å; L159-T239 HydrophobicContact CD2-CG2 4.18Å; F235-T239 WeakPolarHBondContact O-CB 3.35Å; F235-T239 PolarHBondContact O-N 2.8Å; F235-T239 PolarHBondContact O-OG1 3.36Å; Y236-T239 PolarHBondContact O-N 2.84Å
240	L	95.9	Very high	94.6	Very high	40 Å²	40	45.4 Å²	45.4	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-83.2	-14.3	178.4	-63.9	-176.1	0	0	0	113.5	L159 E162 V163 Y236 R242 T244	L159-L240 HydrophobicContact CD1-CD1 4.1Å; L159-L240 HydrophobicContact CD1-CD2 3.73Å; L159-L240 HydrophobicContact CD1-CG 3.78Å; E162-L240 HydrophobicContact CG-CD1 4Å; E162-L240 HydrophobicContact CG-CD2 4.04Å; V163-L240 HydrophobicContact CG2-CD2 3.75Å; Y236-L240 WeakPolarHBondContact O-CB 3.47Å; Y236-L240 WeakPolarHBondContact O-CG 3.48Å; Y236-L240 PolarHBondContact O-N 3.04Å; L240-R242 HydrophobicContact CB-CG 4.02Å; L240-R242 PolarHBondContact O-N 3.45Å; L240-T244 HydrophobicContact CD1-CG2 3.74Å
241	G	96.2	Very high	95	Very high	72 Å²	72	42.5 Å²	42.5	74%	0.742	24%	0.236	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.4	18.9	-175.2	0	0	0	0	0	114.1	S237 E238	S237-G241 WeakPolarHBondContact O-CA 3.3Å; S237-G241 PolarHBondContact O-N 3.01Å; E238-G241 PolarHBondContact O-N 3.26Å
242	R	96.8	Very high	95.3	Very high	91 Å²	91	42.4 Å²	42.4	34%	0.343	24%	0.236	S	C	.	.	S	Bend	trans	-144.7	152.3	177.3	66.5	175.6	-177.8	85.5	-2.2	110.2	E162 S237 L240 T244 E248	E162-R242 IonicContact OE1-NH2 3.66Å; E162-R242 PolarHBondContact OE1-NH2 3.27Å; S237-R242 VanDerWaalsContact CA-O 3.27Å; S237-R242 WeakPolarHBondContact CA-O 3.31Å; S237-R242 PolarHBondContact O-N 2.76Å; L240-R242 HydrophobicContact CB-CG 4.02Å; L240-R242 PolarHBondContact O-N 3.45Å; R242-T244 PolarHBondContact O-N 3.28Å; R242-E248 IonicContact NH1-OE1 3.86Å; R242-E248 PolarHBondContact NH1-OE1 3.31Å; R242-E248 IonicContact NH2-OE1 2.76Å
243	P	96.8	Very high	95.5	Very high	119 Å²	119	42.5 Å²	42.5	77%	0.773	24%	0.237	S	C	*	.			trans	-55.8	128.5	170.8	-23.3	34.1	0	0	0	111
244	T	95.6	Very high	95.7	Very high	8 Å²	8	41.4 Å²	41.4	5%	0.049	23%	0.23	C	C	.	.			trans	-154.4	165.9	172.6	-170.1	0	0	0	0	109.1	S237 L240 R242 E248 T249	S237-T244 PolarHBondContact OG-N 2.86Å; S237-T244 VanDerWaalsContact OG-N 3.07Å; S237-T244 PolarHBondContact OG-O 2.98Å; L240-T244 HydrophobicContact CD1-CG2 3.74Å; R242-T244 PolarHBondContact O-N 3.28Å; T244-E248 PolarHBondContact OG1-OE2 3.25Å; T244-T249 PolarHBondContact OG1-OG1 3.32Å
245	T	94.1	Very high	95.9	Very high	54 Å²	54	35 Å²	35	33%	0.331	20%	0.202	S	C	.	.			trans	-117.7	159.7	169.5	62.7	0	0	0	0	111.3	D233 C247 E248 T249	D233-T245 WeakPolarHBondContact OD1-CA 3.32Å; D233-T245 VanDerWaalsContact OD1-CB 3.25Å; D233-T245 WeakPolarHBondContact OD1-CB 3.29Å; T245-C247 VanDerWaalsContact C-N 3.29Å; T245-C247 PolarHBondContact O-N 2.93Å; T245-E248 PolarHBondContact O-N 3.09Å; T245-E248 VanDerWaalsContact OG1-CB 3.23Å; T245-E248 WeakPolarHBondContact OG1-CB 3.2Å; T245-E248 PolarHBondContact OG1-N 3.28Å; T245-T249 PolarHBondContact O-N 3.4Å; T245-T249 VanDerWaalsContact O-N 3.08Å; T245-T249 PolarHBondContact O-OG1 3.35Å
246	F	93.6	Very high	96.1	Very high	3 Å²	3	34.8 Å²	34.8	1%	0.013	20%	0.201	C	C	.	.	H	α-helix	trans	-53.2	-49.3	167.1	173.1	-105.1	0	0	0	110	P155 E158 I180 F229 W232 D233 Y236 E248 T249 I250	P155-F246 HydrophobicContact CB-CE2 4.09Å; E158-F246 WeakPolarHBondContact OE1-CE2 3.23Å; I180-F246 HydrophobicContact CD1-CE1 4.13Å; I180-F246 HydrophobicContact CD1-CZ 4.2Å; I180-F246 HydrophobicContact CG1-CE1 4.26Å; F229-F246 AromaticContact CD1-CD1 3.79Å; F229-F246 HydrophobicContact CD1-CD1 3.79Å; F229-F246 HydrophobicContact CD1-CE1 4.24Å; F229-F246 AromaticContact CE1-CD1 3.55Å; F229-F246 HydrophobicContact CE1-CD1 3.55Å; F229-F246 AromaticContact CE1-CE1 3.6Å; F229-F246 HydrophobicContact CE1-CE1 3.6Å; F229-F246 HydrophobicContact CE2-CD1 4.34Å; F229-F246 HydrophobicContact CG-CD1 4.3Å; F229-F246 AromaticContact CZ-CD1 3.86Å; F229-F246 HydrophobicContact CZ-CD1 3.86Å; F229-F246 AromaticContact CZ-CE1 3.94Å; F229-F246 HydrophobicContact CZ-CE1 3.94Å; W232-F246 HydrophobicContact CB-CB 3.91Å; W232-F246 HydrophobicContact CB-CD2 4.13Å; W232-F246 HydrophobicContact CB-CG 4.2Å; W232-F246 HydrophobicContact CG-CD2 4.41Å; D233-F246 PolarHBondContact OD1-N 3.28Å; Y236-F246 AromaticContact CE2-CD2 3.98Å; Y236-F246 HydrophobicContact CE2-CD2 3.98Å; Y236-F246 AromaticContact CZ-CD2 3.95Å; F246-E248 PolarHBondContact O-N 2.95Å; F246-T249 PolarHBondContact O-N 3.44Å; F246-T249 VanDerWaalsContact O-N 3.08Å; F246-I250 HydrophobicContact CD1-CG2 4.42Å; F246-I250 HydrophobicContact CE1-CD1 4.41Å; F246-I250 HydrophobicContact CE1-CG2 4.11Å; F246-I250 HydrophobicContact CE2-CD1 4.46Å; F246-I250 HydrophobicContact CZ-CB 4.38Å; F246-I250 HydrophobicContact CZ-CD1 3.82Å; F246-I250 HydrophobicContact CZ-CG2 4.28Å; F246-I250 WeakPolarHBondContact O-CG2 3.38Å; F246-I250 PolarHBondContact O-N 3.02Å
247	C	93.1	Very high	96.2	Very high	24 Å²	24	34.9 Å²	34.9	16%	0.162	20%	0.202	C	C	.	.	H	α-helix	trans	-63	-39.7	178.9	-94.6	0	0	0	0	113.8	C184 F229 T245 T249 G251	C184-C247 WeakPolarHBondContact CA-SG 3.49Å; C184-C247 HydrophobicContact CB-CB 3.68Å; C184-C247 WeakPolarHBondContact CB-SG 3.45Å; C184-C247 PolarHBondContact N-SG 2.89Å; C184-C247 WeakPolarHBondContact SG-CA 3.32Å; C184-C247 WeakPolarHBondContact SG-CB 3.26Å; C184-C247 CovalentContact SG-SG 2.05Å; C184-C247 PolarHBondContact SG-SG 3.45Å; F229-C247 WeakPolarHBondContact CE2-SG 3.31Å; T245-C247 VanDerWaalsContact C-N 3.29Å; T245-C247 PolarHBondContact O-N 2.93Å; C247-T249 PolarHBondContact O-N 3.36Å; C247-G251 VanDerWaalsContact O-CA 3.31Å; C247-G251 WeakPolarHBondContact O-CA 3.24Å; C247-G251 PolarHBondContact O-N 2.79Å
248	E	94.3	Very high	96.2	Very high	74 Å²	74	33.4 Å²	33.4	35%	0.346	19%	0.191	S	C	.	.	H	α-helix	trans	-58.5	-41.7	173.4	-179.8	-170.1	147.2	0	0	110.5	R242 T244 T245 F246 K252	R242-E248 IonicContact NH1-OE1 3.86Å; R242-E248 PolarHBondContact NH1-OE1 3.31Å; R242-E248 IonicContact NH2-OE1 2.76Å; T244-E248 PolarHBondContact OG1-OE2 3.25Å; T245-E248 PolarHBondContact O-N 3.09Å; T245-E248 VanDerWaalsContact OG1-CB 3.23Å; T245-E248 WeakPolarHBondContact OG1-CB 3.2Å; T245-E248 PolarHBondContact OG1-N 3.28Å; F246-E248 PolarHBondContact O-N 2.95Å; E248-K252 WeakPolarHBondContact O-CG 3.33Å; E248-K252 IonicContact OE1-NZ 3.78Å
249	T	95.9	Very high	96.2	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-74.9	-55.8	-174.4	-49.4	0	0	0	0	111.4	E158 E162 F168 Y236 T244 T245 F246 C247 G251 K252	E158-T249 HydrophobicContact CB-CG2 4.13Å; E158-T249 HydrophobicContact CG-CG2 3.92Å; E162-T249 HydrophobicContact CB-CG2 4.34Å; F168-T249 WeakPolarHBondContact CZ-O 3.31Å; Y236-T249 HydrophobicContact CD2-CG2 4.07Å; Y236-T249 HydrophobicContact CE2-CG2 3.94Å; T244-T249 PolarHBondContact OG1-OG1 3.32Å; T245-T249 PolarHBondContact O-N 3.4Å; T245-T249 VanDerWaalsContact O-N 3.08Å; T245-T249 PolarHBondContact O-OG1 3.35Å; F246-T249 PolarHBondContact O-N 3.44Å; F246-T249 VanDerWaalsContact O-N 3.08Å; C247-T249 PolarHBondContact O-N 3.36Å; T249-G251 PolarHBondContact O-N 3.27Å; T249-K252 WeakPolarHBondContact O-CB 3.12Å; T249-K252 PolarHBondContact O-N 2.74Å; T249-K252 VanDerWaalsContact O-N 3.13Å
250	I	95.6	Very high	96.2	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-65.3	-31.3	178.4	-164.4	174	0	0	0	111.9	P152 E158 I180 C184 F246 K252 A253 W256	P152-I250 HydrophobicContact CB-CD1 3.44Å; P152-I250 VanDerWaalsContact CB-CD1 3.44Å; P152-I250 HydrophobicContact CB-CG1 4.4Å; P152-I250 HydrophobicContact CG-CD1 4.36Å; E158-I250 HydrophobicContact CB-CB 4.4Å; E158-I250 HydrophobicContact CG-CB 3.95Å; E158-I250 HydrophobicContact CG-CG1 4.35Å; I180-I250 HydrophobicContact CD1-CD1 4.44Å; I180-I250 HydrophobicContact CG2-CD1 3.65Å; I180-I250 HydrophobicContact CG2-CG2 4.35Å; C184-I250 HydrophobicContact CB-CG2 3.39Å; F246-I250 HydrophobicContact CD1-CG2 4.42Å; F246-I250 HydrophobicContact CE1-CD1 4.41Å; F246-I250 HydrophobicContact CE1-CG2 4.11Å; F246-I250 HydrophobicContact CE2-CD1 4.46Å; F246-I250 HydrophobicContact CZ-CB 4.38Å; F246-I250 HydrophobicContact CZ-CD1 3.82Å; F246-I250 HydrophobicContact CZ-CG2 4.28Å; F246-I250 WeakPolarHBondContact O-CG2 3.38Å; F246-I250 PolarHBondContact O-N 3.02Å; I250-K252 PolarHBondContact O-N 3.26Å; I250-A253 PolarHBondContact O-N 2.93Å; I250-W256 HydrophobicContact CD1-CH2 4.13Å; I250-W256 HydrophobicContact CG1-CH2 3.88Å; I250-W256 HydrophobicContact CG1-CZ2 4.48Å; I250-W256 WeakPolarHBondContact O-CZ2 3.46Å
251	G	95.5	Very high	96.1	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-20.2	176.6	0	0	0	0	0	113	C184 C247 T249 A253 R477	C184-G251 VanDerWaalsContact O-CA 3.27Å; C184-G251 WeakPolarHBondContact O-CA 3.43Å; C247-G251 VanDerWaalsContact O-CA 3.31Å; C247-G251 WeakPolarHBondContact O-CA 3.24Å; C247-G251 PolarHBondContact O-N 2.79Å; T249-G251 PolarHBondContact O-N 3.27Å; G251-A253 PolarHBondContact O-N 3.23Å; G251-R477 PolarHBondContact O-NH1 3.37Å
252	K	96.3	Very high	96	Very high	56 Å²	56	27.5 Å²	27.5	24%	0.243	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-2.9	176.5	-73.9	165.5	178.5	176.4	0	114.6	E162 F168 E248 T249 I250 E254	E162-K252 IonicContact OE1-NZ 2.93Å; E162-K252 PolarHBondContact OE1-NZ 2.86Å; E162-K252 VanDerWaalsContact OE2-CD 3.3Å; E162-K252 WeakPolarHBondContact OE2-CD 3.31Å; E162-K252 IonicContact OE2-NZ 3.31Å; E162-K252 PolarHBondContact OE2-NZ 2.93Å; F168-K252 HydrophobicContact CE1-CB 3.94Å; F168-K252 HydrophobicContact CZ-CB 4.09Å; E248-K252 WeakPolarHBondContact O-CG 3.33Å; E248-K252 IonicContact OE1-NZ 3.78Å; T249-K252 WeakPolarHBondContact O-CB 3.12Å; T249-K252 PolarHBondContact O-N 2.74Å; T249-K252 VanDerWaalsContact O-N 3.13Å; I250-K252 PolarHBondContact O-N 3.26Å; K252-E254 PolarHBondContact O-N 3.16Å
253	A	97.9	Very high	95.9	Very high	3 Å²	3	23.2 Å²	23.2	3%	0.025	12%	0.12	C	C	.	.			trans	-51.5	130.9	175.1	0	0	0	0	0	111	F168 N170 I250 G251 W256	F168-A253 HydrophobicContact CD2-CB 3.85Å; F168-A253 VanDerWaalsContact CE2-CA 3.41Å; F168-A253 HydrophobicContact CE2-CB 3.41Å; F168-A253 VanDerWaalsContact CE2-CB 3.41Å; F168-A253 HydrophobicContact CZ-CB 4.03Å; N170-A253 HydrophobicContact CB-CB 4.36Å; N170-A253 WeakPolarHBondContact ND2-CB 3.34Å; I250-A253 PolarHBondContact O-N 2.93Å; G251-A253 PolarHBondContact O-N 3.23Å; A253-W256 HydrophobicContact CB-CD2 4.47Å; A253-W256 HydrophobicContact CB-CZ2 4.18Å
254	E	98.2	Very high	95.8	Very high	21 Å²	21	17.5 Å²	17.5	10%	0.098	8%	0.083	C	C	.	.	S	Bend	trans	-73.5	-37.2	-177.8	-60.1	-68.4	-176	0	0	110.5	P167 F168 K252 V467 G472 A473 K474	P167-E254 HydrophobicContact CB-CG 3.84Å; F168-E254 PolarHBondContact O-N 3.02Å; K252-E254 PolarHBondContact O-N 3.16Å; E254-V467 HydrophobicContact CB-CB 4.46Å; E254-V467 HydrophobicContact CB-CG1 3.93Å; E254-V467 HydrophobicContact CB-CG2 3.62Å; E254-V467 HydrophobicContact CG-CG1 3.96Å; E254-G472 VanDerWaalsContact CD-CA 3.5Å; E254-A473 HydrophobicContact CB-CB 4.04Å; E254-A473 WeakPolarHBondContact OE2-CA 3.39Å; E254-A473 PolarHBondContact OE2-N 3.04Å; E254-K474 PolarHBondContact OE2-N 3.28Å
255	I	98.6	Very high	95.7	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	8%	0.082	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	144.1	173.9	-62.1	-67.6	0	0	0	109.6	V169 N170 L257 N273 E275 W463 V467 A473 L476	V169-I255 WeakPolarHBondContact CA-O 3.35Å; V169-I255 HydrophobicContact CG1-CB 4.12Å; V169-I255 HydrophobicContact CG1-CG2 4.29Å; V169-I255 HydrophobicContact CG2-CB 4.22Å; N170-I255 PolarHBondContact N-O 2.74Å; I255-L257 HydrophobicContact CG2-CD2 3.95Å; I255-L257 HydrophobicContact CG2-CG 4.25Å; I255-N273 CarbonylContact C-O 3.58Å; I255-N273 WeakPolarHBondContact CA-O 3.36Å; I255-N273 HydrophobicContact CD1-CB 4.19Å; I255-E275 HydrophobicContact CG2-CB 4.32Å; I255-E275 HydrophobicContact CG2-CG 4.26Å; I255-W463 HydrophobicContact CD1-CD2 4Å; I255-W463 HydrophobicContact CD1-CE3 3.48Å; I255-W463 VanDerWaalsContact CD1-CE3 3.48Å; I255-W463 HydrophobicContact CD1-CZ3 3.79Å; I255-W463 HydrophobicContact CG1-CB 4.3Å; I255-W463 HydrophobicContact CG1-CD2 4.34Å; I255-W463 HydrophobicContact CG1-CE3 3.88Å; I255-W463 HydrophobicContact CG2-CB 4.07Å; I255-W463 HydrophobicContact CG2-CG 4.3Å; I255-V467 HydrophobicContact CG1-CG2 3.79Å; I255-A473 HydrophobicContact CD1-CB 4.43Å; I255-L476 HydrophobicContact CD1-CD1 3.86Å
256	W	98.4	Very high	95.7	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	102.7	169.2	-65.7	78.3	0	0	0	109.4	N170 L172 I180 I250 A253 I258 N273 F274 E275	N170-W256 HydrophobicContact CB-CD2 4.12Å; N170-W256 HydrophobicContact CB-CE3 3.79Å; N170-W256 HydrophobicContact CB-CZ3 4.15Å; N170-W256 WeakPolarHBondContact ND2-CH2 3.5Å; N170-W256 WeakPolarHBondContact ND2-CZ2 3.31Å; N170-W256 VanDerWaalsContact ND2-CZ3 3.3Å; N170-W256 WeakPolarHBondContact ND2-CZ3 3.44Å; L172-W256 HydrophobicContact CD2-CZ3 4.14Å; I180-W256 HydrophobicContact CG2-CH2 3.69Å; I180-W256 HydrophobicContact CG2-CZ3 3.95Å; I250-W256 HydrophobicContact CD1-CH2 4.13Å; I250-W256 HydrophobicContact CG1-CH2 3.88Å; I250-W256 HydrophobicContact CG1-CZ2 4.48Å; I250-W256 WeakPolarHBondContact O-CZ2 3.46Å; A253-W256 HydrophobicContact CB-CD2 4.47Å; A253-W256 HydrophobicContact CB-CZ2 4.18Å; W256-I258 HydrophobicContact CB-CD1 4.2Å; W256-I258 PolarHBondContact O-N 3.42Å; W256-N273 PolarHBondContact N-O 3.47Å; W256-F274 HydrophobicContact CB-CD1 3.74Å; W256-F274 HydrophobicContact CB-CD2 4.05Å; W256-F274 HydrophobicContact CB-CE1 3.76Å; W256-F274 HydrophobicContact CB-CE2 4.08Å; W256-F274 HydrophobicContact CB-CG 3.89Å; W256-F274 HydrophobicContact CB-CZ 3.94Å; W256-F274 AromaticContact CD1-CD2 3.85Å; W256-F274 AromaticContact CD1-CE2 3.37Å; W256-F274 AromaticContact CD1-CZ 3.67Å; W256-F274 HydrophobicContact CD2-CE1 4.04Å; W256-F274 HydrophobicContact CD2-CE2 4.18Å; W256-F274 AromaticContact CD2-CZ 3.65Å; W256-F274 HydrophobicContact CD2-CZ 3.65Å; W256-F274 AromaticContact CE2-CZ 3.95Å; W256-F274 HydrophobicContact CE3-CE1 4.34Å; W256-F274 HydrophobicContact CE3-CZ 4.26Å; W256-F274 HydrophobicContact CG-CD1 4.22Å; W256-F274 HydrophobicContact CG-CD2 4.05Å; W256-F274 AromaticContact CG-CE1 3.8Å; W256-F274 HydrophobicContact CG-CE1 3.8Å; W256-F274 AromaticContact CG-CE2 3.62Å; W256-F274 HydrophobicContact CG-CE2 3.62Å; W256-F274 HydrophobicContact CG-CG 4.34Å; W256-F274 AromaticContact CG-CZ 3.48Å; W256-F274 HydrophobicContact CG-CZ 3.48Å; W256-F274 VanDerWaalsContact CG-CZ 3.48Å; W256-F274 AromaticContact NE1-CE2 3.78Å; W256-F274 AromaticContact NE1-CZ 3.93Å; W256-E275 PolarHBondContact O-N 2.96Å
257	L	98.4	Very high	95.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	101.4	169.9	-62.5	178.8	0	0	0	109.1	V169 N170 T171 L172 I255 E275 V277 A460 W463 I464	V169-L257 HydrophobicContact CG1-CD1 3.71Å; V169-L257 HydrophobicContact CG1-CG 3.67Å; N170-L257 WeakPolarHBondContact O-CB 3.42Å; N170-L257 PolarHBondContact O-N 2.92Å; T171-L257 WeakPolarHBondContact CA-O 3.35Å; L172-L257 PolarHBondContact N-O 2.95Å; I255-L257 HydrophobicContact CG2-CD2 3.95Å; I255-L257 HydrophobicContact CG2-CG 4.25Å; L257-E275 CarbonylContact C-O 3.46Å; L257-E275 WeakPolarHBondContact CA-O 3.34Å; L257-E275 HydrophobicContact CD2-CB 4.08Å; L257-V277 HydrophobicContact CB-CG2 3.99Å; L257-V277 HydrophobicContact CD2-CG1 4.13Å; L257-V277 HydrophobicContact CD2-CG2 4.46Å; L257-A460 HydrophobicContact CD1-CB 3.96Å; L257-A460 HydrophobicContact CD2-CB 4.34Å; L257-W463 HydrophobicContact CD2-CB 4.28Å; L257-I464 HydrophobicContact CD1-CD1 4.06Å; L257-I464 HydrophobicContact CD1-CG1 4.18Å
258	I	97.3	Very high	95.7	Very high	1 Å²	1	20 Å²	20	1%	0.005	9%	0.094	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	121.2	178.3	-55.5	-55.5	0	0	0	109.3	L172 W256 T260 F274 E275 F276 V277	L172-I258 HydrophobicContact CB-CD1 4.48Å; L172-I258 CarbonylContact O-C 3.58Å; L172-I258 VanDerWaalsContact O-CA 3.28Å; L172-I258 WeakPolarHBondContact O-CA 3.37Å; W256-I258 HydrophobicContact CB-CD1 4.2Å; W256-I258 PolarHBondContact O-N 3.42Å; I258-T260 PolarHBondContact O-N 2.82Å; I258-F274 HydrophobicContact CD1-CD1 3.93Å; I258-F274 HydrophobicContact CD1-CE1 4.02Å; I258-F274 HydrophobicContact CG1-CD1 3.75Å; I258-F274 HydrophobicContact CG1-CE1 4.35Å; I258-E275 PolarHBondContact N-O 2.92Å; I258-F276 HydrophobicContact CB-CD1 3.93Å; I258-F276 HydrophobicContact CB-CE1 4Å; I258-F276 HydrophobicContact CB-CG 4.4Å; I258-F276 HydrophobicContact CG1-CE1 4.45Å; I258-F276 HydrophobicContact CG2-CD1 3.83Å; I258-F276 HydrophobicContact CG2-CE1 3.69Å; I258-F276 HydrophobicContact CG2-CZ 4.49Å; I258-F276 WeakPolarHBondContact O-CA 3.39Å; I258-V277 WeakPolarHBondContact O-CG2 3.2Å; I258-V277 PolarHBondContact O-N 2.96Å
259	R	95.9	Very high	95.7	Very high	12 Å²	12	18.9 Å²	18.9	5%	0.045	9%	0.093	C	C	.	.	S	Bend	trans	-77.5	40.9	-174.8	-61.7	-174.7	-72.3	-126.7	-3.4	113.7	H35 N38 D151 T171 L172 R173	H35-R259 PolarHBondContact CE1-NH2 3.49Å; H35-R259 PolarHBondContact ND1-NH2 3.45Å; N38-R259 VanDerWaalsContact CG-CD 3.49Å; N38-R259 WeakPolarHBondContact OD1-CD 3.46Å; D151-R259 IonicContact OD1-NH2 3.5Å; D151-R259 IonicContact OD2-CZ 3.81Å; D151-R259 VanDerWaalsContact OD2-CZ 3.31Å; D151-R259 IonicContact OD2-NH1 3.98Å; D151-R259 PolarHBondContact OD2-NH1 2.89Å; D151-R259 IonicContact OD2-NH2 3.84Å; D151-R259 PolarHBondContact OD2-NH2 3.35Å; T171-R259 PolarHBondContact O-NH1 3.47Å; T171-R259 VanDerWaalsContact O-NH1 3.16Å; T171-R259 PolarHBondContact OG1-NH1 3.46Å; T171-R259 VanDerWaalsContact OG1-NH1 3.09Å; L172-R259 PolarHBondContact O-N 2.85Å; R173-R259 HydrophobicContact CB-CB 4.23Å
260	T	95.1	Very high	95.7	Very high	0 Å²	0	23.5 Å²	23.5	0%	0	12%	0.115	C	C	.	.			trans	-138.6	171.4	171.2	58.4	0	0	0	0	113	R173 I258 F264 E265 F276 V277 G278 M377 Y381	R173-T260 VanDerWaalsContact NH1-CG2 3.27Å; I258-T260 PolarHBondContact O-N 2.82Å; T260-F264 HydrophobicContact CG2-CD1 4.46Å; T260-E265 HydrophobicContact CG2-CG 4.11Å; T260-E265 WeakPolarHBondContact CG2-OE1 3.45Å; T260-E265 WeakPolarHBondContact OG1-CG 3.43Å; T260-F276 CarbonylContact O-C 3.58Å; T260-F276 WeakPolarHBondContact O-CA 3.27Å; T260-F276 VanDerWaalsContact O-CB 3.25Å; T260-F276 WeakPolarHBondContact O-CB 3.19Å; T260-V277 PolarHBondContact O-N 2.79Å; T260-G278 VanDerWaalsContact C-CA 3.49Å; T260-G278 PolarHBondContact O-N 3.08Å; T260-M377 HydrophobicContact CG2-CE 4.42Å; T260-Y381 WeakPolarHBondContact CA-OH 3.13Å
261	Y	95.6	Very high	95.7	Very high	35 Å²	35	24.3 Å²	24.3	14%	0.137	12%	0.119	C	C	.	.			trans	-150.4	172.4	175.6	-157.7	-107.9	0	0	0	111.4	D263 F264 E265 F276 Y381 Q452	Y261-D263 VanDerWaalsContact C-N 3.31Å; Y261-D263 WeakPolarHBondContact CB-OD1 3.42Å; Y261-D263 PolarHBondContact O-N 3.21Å; Y261-F264 PolarHBondContact O-N 3.42Å; Y261-E265 WeakPolarHBondContact O-CB 3.49Å; Y261-E265 PolarHBondContact O-N 3.32Å; Y261-F276 HydrophobicContact CD2-CB 3.97Å; Y261-Y381 PolarHBondContact N-OH 3.06Å; Y261-Q452 HydrophobicContact CD1-CG 4.09Å; Y261-Q452 HydrophobicContact CE1-CG 3.42Å; Y261-Q452 VanDerWaalsContact CE1-CG 3.42Å; Y261-Q452 VanDerWaalsContact CZ-OE1 3.27Å
262	W	94.1	Very high	95.8	Very high	75 Å²	75	27.6 Å²	27.6	28%	0.284	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.5	-14.6	-168.5	-52.1	115.2	0	0	0	115	F264 E265 Y266 R268 H270 F276	W262-F264 VanDerWaalsContact C-N 3.27Å; W262-E265 HydrophobicContact CE3-CB 4.47Å; W262-Y266 WeakPolarHBondContact CZ3-O 3.43Å; W262-R268 HydrophobicContact CH2-CG 4.14Å; W262-R268 WeakPolarHBondContact CH2-O 3.35Å; W262-R268 HydrophobicContact CZ3-CG 4.11Å; W262-H270 AromaticContact CZ2-CD2 3.97Å; W262-F276 HydrophobicContact CH2-CE2 4.4Å; W262-F276 HydrophobicContact CH2-CZ 4.37Å; W262-F276 HydrophobicContact CZ2-CD2 4.16Å; W262-F276 HydrophobicContact CZ2-CE2 4.28Å; W262-F276 HydrophobicContact CZ2-CG 4.45Å
263	D	93.9	Very high	95.8	Very high	1 Å²	1	25 Å²	25	1%	0.005	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-38.1	167.1	50.9	3.7	0	0	0	111.2	Y261 K409 L445 I448 H449	Y261-D263 VanDerWaalsContact C-N 3.31Å; Y261-D263 WeakPolarHBondContact CB-OD1 3.42Å; Y261-D263 PolarHBondContact O-N 3.21Å; D263-K409 VanDerWaalsContact O-CD 3.31Å; D263-K409 WeakPolarHBondContact O-CD 3.4Å; D263-K409 WeakPolarHBondContact O-CE 3.38Å; D263-K409 PolarHBondContact O-NZ 2.92Å; D263-L445 WeakPolarHBondContact O-CD2 3.38Å; D263-I448 HydrophobicContact CB-CB 4.47Å; D263-I448 HydrophobicContact CB-CG2 4.02Å; D263-H449 VanDerWaalsContact OD2-CB 3.3Å; D263-H449 WeakPolarHBondContact OD2-CB 3.3Å; D263-H449 IonicContact OD2-CE1 3.86Å; D263-H449 IonicContact OD2-CG 3.85Å; D263-H449 IonicContact OD2-ND1 3.43Å; D263-H449 PolarHBondContact OD2-ND1 3.32Å
264	F	95.5	Very high	95.8	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.8	-43.1	179.2	172.7	-92.2	0	0	0	114.1	T260 Y261 W262 M377 I380 Y381 I384 N402 H405 L406 K409	T260-F264 HydrophobicContact CG2-CD1 4.46Å; Y261-F264 PolarHBondContact O-N 3.42Å; W262-F264 VanDerWaalsContact C-N 3.27Å; F264-M377 HydrophobicContact CD1-CE 3.73Å; F264-M377 HydrophobicContact CD1-SD 4.19Å; F264-M377 HydrophobicContact CD2-CE 4.42Å; F264-M377 HydrophobicContact CE1-CE 3.25Å; F264-M377 HydrophobicContact CE1-SD 4.27Å; F264-M377 HydrophobicContact CE2-CE 3.98Å; F264-M377 HydrophobicContact CG-CE 4.31Å; F264-M377 HydrophobicContact CG-SD 4.35Å; F264-M377 HydrophobicContact CZ-CE 3.39Å; F264-M377 HydrophobicContact CZ-SD 4.46Å; F264-I380 HydrophobicContact CD2-CG2 3.91Å; F264-I380 HydrophobicContact CE2-CD1 4.42Å; F264-I380 HydrophobicContact CE2-CG2 4.25Å; F264-Y381 HydrophobicContact CB-CE1 4.36Å; F264-I384 HydrophobicContact CB-CD1 4.16Å; F264-N402 HydrophobicContact CE2-CB 4.22Å; F264-N402 HydrophobicContact CZ-CB 3.98Å; F264-N402 WeakPolarHBondContact CZ-OD1 3.41Å; F264-H405 AromaticContact CE1-ND1 3.65Å; F264-H405 HydrophobicContact CE2-CB 3.86Å; F264-H405 HydrophobicContact CZ-CB 3.89Å; F264-H405 AromaticContact CZ-ND1 3.6Å; F264-L406 HydrophobicContact CD2-CD2 4.24Å; F264-L406 HydrophobicContact CD2-CG 4.35Å; F264-L406 HydrophobicContact CE2-CG 4.23Å; F264-K409 WeakPolarHBondContact O-CE 3.09Å; F264-K409 PolarHBondContact O-NZ 3.19Å
265	E	93.4	Very high	95.8	Very high	5 Å²	5	25 Å²	25	2%	0.023	13%	0.129	C	C	.	.	S	Bend	trans	-78.7	172.3	-177.6	-73.2	-66.8	175.5	0	0	112.6	R173 T260 Y261 W262 H405 K409	R173-E265 IonicContact CZ-OE1 4Å; R173-E265 IonicContact NH1-OE1 2.84Å; R173-E265 PolarHBondContact NH1-OE1 3.07Å; R173-E265 IonicContact NH2-OE1 3.42Å; R173-E265 PolarHBondContact NH2-OE1 3.46Å; T260-E265 HydrophobicContact CG2-CG 4.11Å; T260-E265 WeakPolarHBondContact CG2-OE1 3.45Å; T260-E265 WeakPolarHBondContact OG1-CG 3.43Å; Y261-E265 WeakPolarHBondContact O-CB 3.49Å; Y261-E265 PolarHBondContact O-N 3.32Å; W262-E265 HydrophobicContact CE3-CB 4.47Å; E265-H405 IonicContact OE2-CE1 2.75Å; E265-H405 IonicContact OE2-ND1 2.81Å; E265-K409 PolarHBondContact O-NZ 3.24Å
266	Y	94.2	Very high	95.7	Very high	21 Å²	21	25.2 Å²	25.2	8%	0.082	13%	0.13	C	C	.	.	P	Polyproline II helix	trans	-91.7	144.1	164.6	-59.9	-63.3	0	0	0	110.9	P195 T202 D203 W262 R268 H405 A408	P195-Y266 HydrophobicContact CG-CD2 3.79Å; P195-Y266 HydrophobicContact CG-CE2 4.06Å; T202-Y266 WeakPolarHBondContact CB-OH 2.97Å; T202-Y266 WeakPolarHBondContact CG2-OH 3.36Å; D203-Y266 HydrophobicContact CB-CD1 3.95Å; D203-Y266 HydrophobicContact CB-CD2 4.1Å; D203-Y266 HydrophobicContact CB-CG 3.68Å; D203-Y266 WeakPolarHBondContact OD1-CD1 3.44Å; D203-Y266 WeakPolarHBondContact OD2-CD1 3.45Å; W262-Y266 WeakPolarHBondContact CZ3-O 3.43Å; Y266-R268 PolarHBondContact O-N 2.99Å; Y266-H405 AromaticContact CD2-CE1 3.75Å; Y266-H405 AromaticContact CD2-NE2 3.56Å; Y266-H405 AromaticContact CE2-CD2 3.36Å; Y266-H405 WeakPolarHBondContact CE2-CD2 3.42Å; Y266-H405 AromaticContact CE2-CE1 3.61Å; Y266-H405 AromaticContact CE2-NE2 3.03Å; Y266-H405 WeakPolarHBondContact CE2-NE2 3.48Å; Y266-H405 AromaticContact CZ-CD2 3.79Å; Y266-H405 AromaticContact CZ-NE2 3.94Å; Y266-A408 WeakPolarHBondContact OH-CB 3.24Å
267	P	92.6	Very high	95.6	Very high	91 Å²	91	25.2 Å²	25.2	59%	0.591	13%	0.13	S	C	*	.	P	Polyproline II helix	trans	-55.4	131.2	177.4	-25.4	34.9	0	0	0	112.6
268	R	93.7	Very high	95.5	Very high	23 Å²	23	25.2 Å²	25.2	9%	0.087	13%	0.13	C	C	.	.			trans	-150.8	159	177	67.2	-174.2	-178	-175.9	2.9	111.7	V194 W262 Y266	V194-R268 HydrophobicContact CG2-CB 3.79Å; W262-R268 HydrophobicContact CH2-CG 4.14Å; W262-R268 WeakPolarHBondContact CH2-O 3.35Å; W262-R268 HydrophobicContact CZ3-CG 4.11Å; Y266-R268 PolarHBondContact O-N 2.99Å
269	P	94.3	Very high	95.4	Very high	51 Å²	51	25.3 Å²	25.3	33%	0.331	13%	0.132	S	C	.	.			trans	-59.5	143.3	174.8	-19.5	32.9	0	0	0	110.4	P188 P190 Y193	P188-P269 HydrophobicContact CB-CB 4.22Å; P190-P269 HydrophobicContact CG-CG 4.42Å; Y193-P269 VanDerWaalsContact OH-CD 3.25Å; Y193-P269 WeakPolarHBondContact OH-CD 3.37Å; Y193-P269 WeakPolarHBondContact OH-CG 3.28Å
270	H	94.4	Very high	95.4	Very high	97 Å²	97	25 Å²	25	45%	0.449	13%	0.13	S	C	.	.			trans	-137.8	159.6	173	71.6	90.8	0	0	0	111.4	L187 W262 F276	L187-H270 HydrophobicContact CD1-CB 4.32Å; W262-H270 AromaticContact CZ2-CD2 3.97Å; H270-F276 HydrophobicContact CB-CE2 3.63Å; H270-F276 HydrophobicContact CB-CZ 4.36Å
271	L	96.4	Very high	95.4	Very high	17 Å²	17	25.8 Å²	25.8	9%	0.089	13%	0.134	C	C	.	.			trans	-92.4	157.9	179.2	-58.2	-175	0	0	0	111.2	Q186 L187 P188 N273 F274 V478	Q186-L271 HydrophobicContact CB-CD1 4.46Å; L187-L271 HydrophobicContact CD1-CG 4.26Å; P188-L271 HydrophobicContact CG-CD2 4.23Å; L271-N273 WeakPolarHBondContact CB-OD1 3.39Å; L271-N273 PolarHBondContact O-N 3.06Å; L271-F274 HydrophobicContact CB-CB 4.44Å; L271-F274 HydrophobicContact CB-CD2 3.92Å; L271-F274 HydrophobicContact CD1-CD2 4.22Å; L271-F274 HydrophobicContact CD1-CE2 4.22Å; L271-F274 HydrophobicContact CG-CD2 4.4Å; L271-F274 PolarHBondContact O-N 3.34Å; L271-V478 HydrophobicContact CD1-CG1 4.11Å; L271-V478 HydrophobicContact CD1-CG2 3.72Å; L271-V478 HydrophobicContact CD2-CG1 3.69Å; L271-V478 HydrophobicContact CG-CG1 4.33Å
272	P	96.9	Very high	95.4	Very high	70 Å²	70	24.9 Å²	24.9	46%	0.455	13%	0.133	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-25.1	178.4	-23.6	34.9	0	0	0	114.5	L476	P272-L476 HydrophobicContact CB-CB 4.28Å; P272-L476 HydrophobicContact CB-CD2 4.01Å
273	N	97.3	Very high	95.4	Very high	1 Å²	1	25.4 Å²	25.4	1%	0.005	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6.3	175.1	68.8	-38	0	0	0	113.3	I255 W256 L271 L476	I255-N273 CarbonylContact C-O 3.58Å; I255-N273 WeakPolarHBondContact CA-O 3.36Å; I255-N273 HydrophobicContact CD1-CB 4.19Å; W256-N273 PolarHBondContact N-O 3.47Å; L271-N273 WeakPolarHBondContact CB-OD1 3.39Å; L271-N273 PolarHBondContact O-N 3.06Å; N273-L476 HydrophobicContact CB-CB 3.87Å
274	F	97.8	Very high	95.5	Very high	0 Å²	0	29.7 Å²	29.7	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	112.9	175.3	-87.6	-108.6	0	0	0	110.1	E181 G185 L187 W256 I258 L271	E181-F274 HydrophobicContact CB-CE1 4.22Å; E181-F274 HydrophobicContact CG-CE1 4.32Å; G185-F274 WeakPolarHBondContact O-CE2 3.22Å; L187-F274 HydrophobicContact CB-CE1 4.05Å; L187-F274 HydrophobicContact CB-CZ 4.03Å; L187-F274 HydrophobicContact CD1-CB 4.37Å; L187-F274 HydrophobicContact CD1-CD1 3.91Å; L187-F274 HydrophobicContact CD1-CD2 4.41Å; L187-F274 HydrophobicContact CD1-CE1 4.28Å; L187-F274 HydrophobicContact CD1-CG 3.98Å; L187-F274 HydrophobicContact CD2-CD1 3.99Å; L187-F274 HydrophobicContact CD2-CE1 3.92Å; L187-F274 HydrophobicContact CG-CD1 4.37Å; L187-F274 HydrophobicContact CG-CE1 4.31Å; W256-F274 HydrophobicContact CB-CD1 3.74Å; W256-F274 HydrophobicContact CB-CD2 4.05Å; W256-F274 HydrophobicContact CB-CE1 3.76Å; W256-F274 HydrophobicContact CB-CE2 4.08Å; W256-F274 HydrophobicContact CB-CG 3.89Å; W256-F274 HydrophobicContact CB-CZ 3.94Å; W256-F274 AromaticContact CD1-CD2 3.85Å; W256-F274 AromaticContact CD1-CE2 3.37Å; W256-F274 AromaticContact CD1-CZ 3.67Å; W256-F274 HydrophobicContact CD2-CE1 4.04Å; W256-F274 HydrophobicContact CD2-CE2 4.18Å; W256-F274 AromaticContact CD2-CZ 3.65Å; W256-F274 HydrophobicContact CD2-CZ 3.65Å; W256-F274 AromaticContact CE2-CZ 3.95Å; W256-F274 HydrophobicContact CE3-CE1 4.34Å; W256-F274 HydrophobicContact CE3-CZ 4.26Å; W256-F274 HydrophobicContact CG-CD1 4.22Å; W256-F274 HydrophobicContact CG-CD2 4.05Å; W256-F274 AromaticContact CG-CE1 3.8Å; W256-F274 HydrophobicContact CG-CE1 3.8Å; W256-F274 AromaticContact CG-CE2 3.62Å; W256-F274 HydrophobicContact CG-CE2 3.62Å; W256-F274 HydrophobicContact CG-CG 4.34Å; W256-F274 AromaticContact CG-CZ 3.48Å; W256-F274 HydrophobicContact CG-CZ 3.48Å; W256-F274 VanDerWaalsContact CG-CZ 3.48Å; W256-F274 AromaticContact NE1-CE2 3.78Å; W256-F274 AromaticContact NE1-CZ 3.93Å; I258-F274 HydrophobicContact CD1-CD1 3.93Å; I258-F274 HydrophobicContact CD1-CE1 4.02Å; I258-F274 HydrophobicContact CG1-CD1 3.75Å; I258-F274 HydrophobicContact CG1-CE1 4.35Å; L271-F274 HydrophobicContact CB-CB 4.44Å; L271-F274 HydrophobicContact CB-CD2 3.92Å; L271-F274 HydrophobicContact CD1-CD2 4.22Å; L271-F274 HydrophobicContact CD1-CE2 4.22Å; L271-F274 HydrophobicContact CG-CD2 4.4Å; L271-F274 PolarHBondContact O-N 3.34Å
275	E	97.3	Very high	95.6	Very high	24 Å²	24	32.2 Å²	32.2	11%	0.112	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	110.5	-169.2	-69.6	-68.6	179.4	0	0	111.2	I255 W256 L257 I258 V277 K459 W463	I255-E275 HydrophobicContact CG2-CB 4.32Å; I255-E275 HydrophobicContact CG2-CG 4.26Å; W256-E275 PolarHBondContact O-N 2.96Å; L257-E275 CarbonylContact C-O 3.46Å; L257-E275 WeakPolarHBondContact CA-O 3.34Å; L257-E275 HydrophobicContact CD2-CB 4.08Å; I258-E275 PolarHBondContact N-O 2.92Å; E275-V277 PolarHBondContact O-N 2.97Å; E275-K459 WeakPolarHBondContact OE2-CE 3.44Å; E275-K459 IonicContact OE2-NZ 3.15Å; E275-K459 PolarHBondContact OE2-NZ 3.2Å; E275-W463 HydrophobicContact CG-CD2 4.2Å; E275-W463 HydrophobicContact CG-CG 4.17Å; E275-W463 HydrophobicContact CG-CZ2 4.19Å; E275-W463 VanDerWaalsContact CG-NE1 3.25Å; E275-W463 WeakPolarHBondContact OE1-CZ2 3.35Å; E275-W463 PolarHBondContact OE1-NE1 3.44Å
276	F	96.7	Very high	95.8	Very high	4 Å²	4	38.9 Å²	38.9	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	119.2	-178.7	-69.3	-93.5	0	0	0	109.7	I258 T260 Y261 W262 H270 K459	I258-F276 HydrophobicContact CB-CD1 3.93Å; I258-F276 HydrophobicContact CB-CE1 4Å; I258-F276 HydrophobicContact CB-CG 4.4Å; I258-F276 HydrophobicContact CG1-CE1 4.45Å; I258-F276 HydrophobicContact CG2-CD1 3.83Å; I258-F276 HydrophobicContact CG2-CE1 3.69Å; I258-F276 HydrophobicContact CG2-CZ 4.49Å; I258-F276 WeakPolarHBondContact O-CA 3.39Å; T260-F276 CarbonylContact O-C 3.58Å; T260-F276 WeakPolarHBondContact O-CA 3.27Å; T260-F276 VanDerWaalsContact O-CB 3.25Å; T260-F276 WeakPolarHBondContact O-CB 3.19Å; Y261-F276 HydrophobicContact CD2-CB 3.97Å; W262-F276 HydrophobicContact CH2-CE2 4.4Å; W262-F276 HydrophobicContact CH2-CZ 4.37Å; W262-F276 HydrophobicContact CZ2-CD2 4.16Å; W262-F276 HydrophobicContact CZ2-CE2 4.28Å; W262-F276 HydrophobicContact CZ2-CG 4.45Å; H270-F276 HydrophobicContact CB-CE2 3.63Å; H270-F276 HydrophobicContact CB-CZ 4.36Å; F276-K459 PolarHBondContact O-NZ 3.45Å
277	V	97.3	Very high	95.9	Very high	1 Å²	1	44 Å²	44	1%	0.006	25%	0.247	C	C	.	.			trans	-132.6	33.8	-171.7	-65.9	0	0	0	0	112.2	L257 I258 T260 E275 L280 K459 A460	L257-V277 HydrophobicContact CB-CG2 3.99Å; L257-V277 HydrophobicContact CD2-CG1 4.13Å; L257-V277 HydrophobicContact CD2-CG2 4.46Å; I258-V277 WeakPolarHBondContact O-CG2 3.2Å; I258-V277 PolarHBondContact O-N 2.96Å; T260-V277 PolarHBondContact O-N 2.79Å; E275-V277 PolarHBondContact O-N 2.97Å; V277-L280 HydrophobicContact CB-CD2 4.27Å; V277-L280 HydrophobicContact CG2-CD2 3.9Å; V277-L280 PolarHBondContact O-N 2.92Å; V277-K459 HydrophobicContact CG1-CB 4.26Å; V277-K459 HydrophobicContact CG1-CD 4.13Å; V277-K459 HydrophobicContact CG1-CG 4.15Å; V277-A460 HydrophobicContact CB-CB 4.38Å; V277-A460 HydrophobicContact CG1-CB 4.08Å; V277-A460 HydrophobicContact CG2-CB 4.5Å
278	G	96.1	Very high	96.1	Very high	0 Å²	0	40.3 Å²	40.3	0%	0	22%	0.223	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55	138	175.9	0	0	0	0	0	113.4	T260 P456	T260-G278 VanDerWaalsContact C-CA 3.49Å; T260-G278 PolarHBondContact O-N 3.08Å; G278-P456 WeakPolarHBondContact O-CB 3.23Å; G278-P456 WeakPolarHBondContact O-CG 3.34Å
279	G	95.6	Very high	96.3	Very high	4 Å²	4	43.1 Å²	43.1	4%	0.041	24%	0.244	C	C	.	.	T	Hydrogen-bonded Turn	trans	76	17.5	179	0	0	0	0	0	116	H281 C282	G279-H281 PolarHBondContact O-N 3.33Å; G279-H281 VanDerWaalsContact O-N 3.07Å; G279-C282 VanDerWaalsContact O-CB 3.32Å; G279-C282 WeakPolarHBondContact O-CB 3.4Å; G279-C282 PolarHBondContact O-N 3.43Å
280	L	95.8	Very high	96.4	Very high	4 Å²	4	48.2 Å²	48.2	2%	0.021	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-20.4	176.3	66.2	81.1	0	0	0	115.1	N38 T41 I42 V277 P456 L457	N38-L280 WeakPolarHBondContact ND2-CD1 3.48Å; N38-L280 WeakPolarHBondContact O-CD1 3.42Å; T41-L280 HydrophobicContact CG2-CD1 4.22Å; T41-L280 WeakPolarHBondContact CG2-O 3.49Å; I42-L280 HydrophobicContact CD1-CD2 3.85Å; I42-L280 HydrophobicContact CG1-CD1 3.99Å; I42-L280 HydrophobicContact CG1-CD2 4.05Å; V277-L280 HydrophobicContact CB-CD2 4.27Å; V277-L280 HydrophobicContact CG2-CD2 3.9Å; V277-L280 PolarHBondContact O-N 2.92Å; L280-P456 HydrophobicContact CB-CB 3.99Å; L280-L457 HydrophobicContact CB-CB 4.23Å
281	H	94.8	Very high	96.4	Very high	18 Å²	18	51 Å²	51	8%	0.083	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89	-11.8	177.6	62.1	-76.2	0	0	0	113.3	N38 G279 N378 E382	N38-H281 PolarHBondContact ND2-ND1 2.59Å; G279-H281 PolarHBondContact O-N 3.33Å; G279-H281 VanDerWaalsContact O-N 3.07Å; H281-N378 WeakPolarHBondContact NE2-CA 3.38Å; H281-N378 PolarHBondContact NE2-O 2.9Å; H281-E382 IonicContact CD2-OE1 2.69Å; H281-E382 PolarHBondContact CD2-OE1 2.78Å; H281-E382 IonicContact NE2-OE1 2.85Å
282	C	95.3	Very high	96.5	Very high	15 Å²	15	50.9 Å²	50.9	10%	0.101	27%	0.273	C	S	.	.			trans	-71.7	137	-176.9	-59.6	0	0	0	0	111.1	G279 Y381 Y385	G279-C282 VanDerWaalsContact O-CB 3.32Å; G279-C282 WeakPolarHBondContact O-CB 3.4Å; G279-C282 PolarHBondContact O-N 3.43Å; C282-Y381 PolarHBondContact SG-O 2.9Å; C282-Y385 HydrophobicContact CB-CD1 4.38Å; C282-Y385 HydrophobicContact CB-CD2 3.3Å; C282-Y385 HydrophobicContact CB-CE2 3.88Å; C282-Y385 HydrophobicContact CB-CG 3.6Å
283	K	94.4	Very high	96.5	Very high	86 Å²	86	50.3 Å²	50.3	37%	0.374	26%	0.264	S	S	.	.			trans	-139.4	154.5	-175.7	-64.7	178.9	-174	-180	0	109.9	N360 Y385 H386	K283-N360 PolarHBondContact N-OD1 3.16Å; K283-N360 PolarHBondContact O-ND2 3.39Å; K283-N360 PolarHBondContact O-OD1 2.92Å; K283-Y385 WeakPolarHBondContact O-CE1 3.37Å; K283-H386 PolarHBondContact O-CE1 2.91Å; K283-H386 PolarHBondContact O-NE2 3.25Å
284	P	96.8	Very high	96.5	Very high	92 Å²	92	55.6 Å²	55.6	60%	0.597	29%	0.289	S	S	*	.	P	Polyproline II helix	trans	-52.7	145.5	167	-24.2	34.6	0	0	0	110.8	Y385	P284-Y385 WeakPolarHBondContact CD-OH 3.45Å
285	S	96.6	Very high	96.5	Very high	53 Å²	53	55.8 Å²	55.8	37%	0.371	29%	0.29	S	S	.	.	P	Polyproline II helix	trans	-65.7	140.5	178.6	46.2	0	0	0	0	111.2	D361 G364	S285-D361 WeakPolarHBondContact CA-OD1 3.4Å; S285-G364 PolarHBondContact OG-O 3.3Å; S285-G364 VanDerWaalsContact OG-O 3.07Å
286	K	96.8	Very high	96.6	Very high	144 Å²	144	54.7 Å²	54.7	63%	0.626	29%	0.285	S	S	*	.	P	Polyproline II helix	trans	-97.9	159.5	169.9	-64.6	-179.5	-178.6	179.6	0	110.5	L288 D361	K286-L288 PolarHBondContact O-N 3.43Å; K286-D361 PolarHBondContact N-OD1 2.92Å
287	P	97.2	Very high	96.6	Very high	128 Å²	128	58.5 Å²	58.5	83%	0.831	30%	0.303	S	S	*	.	P	Polyproline II helix	trans	-55.8	137.5	172.9	-25.1	34.9	0	0	0	112.1
288	L	97.5	Very high	96.6	Very high	15 Å²	15	61.8 Å²	61.8	8%	0.079	33%	0.325	C	S	.	.	P	Polyproline II helix	trans	-75.8	156.6	178.4	-58.3	175.7	0	0	0	111.1	K286 K290 M292 E293 V296 P358 D361 L362	K286-L288 PolarHBondContact O-N 3.43Å; L288-K290 PolarHBondContact O-N 2.77Å; L288-M292 HydrophobicContact CB-CB 4.44Å; L288-M292 HydrophobicContact CB-CG 4.5Å; L288-M292 HydrophobicContact CD1-CG 4.32Å; L288-M292 HydrophobicContact CD2-SD 4.23Å; L288-E293 HydrophobicContact CB-CB 4.31Å; L288-E293 WeakPolarHBondContact CB-OE2 3.42Å; L288-E293 WeakPolarHBondContact CD1-OE2 3.44Å; L288-V296 HydrophobicContact CD1-CG2 3.98Å; L288-P358 HydrophobicContact CD2-CG 3.9Å; L288-D361 HydrophobicContact CD2-CB 3.74Å; L288-L362 HydrophobicContact CD1-CD2 3.62Å; L288-L362 HydrophobicContact CD2-CD2 4.01Å; L288-L362 HydrophobicContact CD2-CG 4.05Å
289	P	96.7	Very high	96.7	Very high	81 Å²	81	62.1 Å²	62.1	53%	0.526	33%	0.328	S	S	.	.	P	Polyproline II helix	trans	-54.8	140.2	167.8	-24.2	34.3	0	0	0	111	E291 M292 E293	P289-E291 VanDerWaalsContact C-N 3.32Å; P289-E291 PolarHBondContact O-N 3.09Å; P289-E291 VanDerWaalsContact O-N 3.13Å; P289-M292 HydrophobicContact CB-CB 4.47Å; P289-M292 WeakPolarHBondContact O-CA 3.45Å; P289-M292 WeakPolarHBondContact O-CB 3.14Å; P289-M292 PolarHBondContact O-N 3.36Å; P289-E293 PolarHBondContact O-N 2.89Å
290	K	96.6	Very high	96.8	Very high	159 Å²	159	63.9 Å²	63.9	69%	0.691	35%	0.346	S	S	*	.	H	α-helix	trans	-48.6	-47.2	-171.1	-173.4	179.5	175.1	-174.8	0	114.1	L288 M292 E293 E294	L288-K290 PolarHBondContact O-N 2.77Å; K290-M292 VanDerWaalsContact C-N 3.29Å; K290-M292 PolarHBondContact O-N 2.8Å; K290-E293 WeakPolarHBondContact O-CB 3.41Å; K290-E293 PolarHBondContact O-N 2.91Å; K290-E294 WeakPolarHBondContact CE-OE1 3.38Å; K290-E294 WeakPolarHBondContact O-CG 3.45Å; K290-E294 PolarHBondContact O-N 3.35Å
291	E	95.3	Very high	96.8	Very high	155 Å²	155	72.5 Å²	72.5	72%	0.724	39%	0.386	S	S	*	.	H	α-helix	trans	-66.2	-30.7	-179.9	-62.9	-177.9	178.6	0	0	113.6	P289 F295 R352	P289-E291 VanDerWaalsContact C-N 3.32Å; P289-E291 PolarHBondContact O-N 3.09Å; P289-E291 VanDerWaalsContact O-N 3.13Å; E291-F295 PolarHBondContact O-N 2.72Å; E291-R352 PolarHBondContact O-NH1 2.87Å
292	M	97.6	Very high	96.9	Very high	14 Å²	14	76.5 Å²	76.5	7%	0.069	41%	0.405	C	S	.	.	H	α-helix	trans	-74.9	-44.6	175.6	-173.4	174.1	-72.9	0	0	110	L288 P289 K290 E294 F295 V296 L336 F354 P358 L362	L288-M292 HydrophobicContact CB-CB 4.44Å; L288-M292 HydrophobicContact CB-CG 4.5Å; L288-M292 HydrophobicContact CD1-CG 4.32Å; L288-M292 HydrophobicContact CD2-SD 4.23Å; P289-M292 HydrophobicContact CB-CB 4.47Å; P289-M292 WeakPolarHBondContact O-CA 3.45Å; P289-M292 WeakPolarHBondContact O-CB 3.14Å; P289-M292 PolarHBondContact O-N 3.36Å; K290-M292 VanDerWaalsContact C-N 3.29Å; K290-M292 PolarHBondContact O-N 2.8Å; M292-E294 PolarHBondContact O-N 2.84Å; M292-F295 WeakPolarHBondContact O-CB 3.44Å; M292-F295 PolarHBondContact O-N 2.92Å; M292-F295 VanDerWaalsContact O-N 3.17Å; M292-V296 WeakPolarHBondContact O-CG2 3.38Å; M292-V296 PolarHBondContact O-N 2.86Å; M292-L336 HydrophobicContact CE-CD2 4.24Å; M292-L336 HydrophobicContact CG-CD2 3.56Å; M292-L336 HydrophobicContact SD-CD2 3.9Å; M292-F354 HydrophobicContact CE-CD1 3.87Å; M292-F354 HydrophobicContact CE-CE1 3.56Å; M292-F354 HydrophobicContact CE-CE2 4.41Å; M292-F354 HydrophobicContact CE-CG 4.41Å; M292-F354 HydrophobicContact CE-CZ 3.86Å; M292-P358 HydrophobicContact CE-CG 4.36Å; M292-P358 HydrophobicContact SD-CG 3.74Å; M292-L362 HydrophobicContact CG-CD2 4.39Å; M292-L362 HydrophobicContact SD-CD1 4.08Å; M292-L362 HydrophobicContact SD-CD2 3.92Å; M292-L362 HydrophobicContact SD-CG 4.18Å
293	E	97.8	Very high	97.1	Very high	59 Å²	59	75.9 Å²	75.9	28%	0.276	40%	0.4	S	S	.	.	H	α-helix	trans	-57	-47.9	175.1	-171	65.7	-161.6	0	0	111.4	L288 P289 K290 F295 V296 E297 H365	L288-E293 HydrophobicContact CB-CB 4.31Å; L288-E293 WeakPolarHBondContact CB-OE2 3.42Å; L288-E293 WeakPolarHBondContact CD1-OE2 3.44Å; P289-E293 PolarHBondContact O-N 2.89Å; K290-E293 WeakPolarHBondContact O-CB 3.41Å; K290-E293 PolarHBondContact O-N 2.91Å; E293-F295 VanDerWaalsContact C-N 3.25Å; E293-F295 PolarHBondContact O-N 2.83Å; E293-V296 PolarHBondContact O-N 2.86Å; E293-V296 VanDerWaalsContact O-N 3.1Å; E293-E297 PolarHBondContact O-N 2.78Å; E293-H365 IonicContact OE1-NE2 2.85Å; E293-H365 PolarHBondContact OE1-NE2 2.76Å; E293-H365 IonicContact OE2-NE2 3.72Å
294	E	97.6	Very high	97.3	Very high	112 Å²	112	71.8 Å²	71.8	52%	0.523	38%	0.383	S	S	.	.	H	α-helix	trans	-58.2	-37.5	177.2	-74.6	172.5	-172.9	0	0	112.4	K290 M292 S298	K290-E294 WeakPolarHBondContact CE-OE1 3.38Å; K290-E294 WeakPolarHBondContact O-CG 3.45Å; K290-E294 PolarHBondContact O-N 3.35Å; M292-E294 PolarHBondContact O-N 2.84Å; E294-S298 WeakPolarHBondContact O-CB 3.5Å; E294-S298 PolarHBondContact O-N 3.1Å
295	F	97.9	Very high	97.4	Very high	4 Å²	4	67.4 Å²	67.4	2%	0.018	35%	0.354	C	S	.	.	H	α-helix	trans	-69.3	-43.7	175.1	-176.4	-119	0	0	0	112.5	E291 M292 E293 E297 S298 K334 L336 N350 R352	E291-F295 PolarHBondContact O-N 2.72Å; M292-F295 WeakPolarHBondContact O-CB 3.44Å; M292-F295 PolarHBondContact O-N 2.92Å; M292-F295 VanDerWaalsContact O-N 3.17Å; E293-F295 VanDerWaalsContact C-N 3.25Å; E293-F295 PolarHBondContact O-N 2.83Å; F295-E297 VanDerWaalsContact C-N 3.3Å; F295-E297 PolarHBondContact O-N 3.27Å; F295-S298 PolarHBondContact O-N 3.05Å; F295-S298 PolarHBondContact O-OG 2.91Å; F295-K334 HydrophobicContact CD1-CB 4.46Å; F295-K334 HydrophobicContact CD2-CD 4.44Å; F295-K334 HydrophobicContact CE1-CB 3.87Å; F295-K334 HydrophobicContact CE2-CB 4.35Å; F295-K334 HydrophobicContact CE2-CD 3.7Å; F295-K334 HydrophobicContact CE2-CG 4.18Å; F295-K334 HydrophobicContact CZ-CB 3.83Å; F295-K334 HydrophobicContact CZ-CD 3.85Å; F295-K334 HydrophobicContact CZ-CG 4.15Å; F295-L336 HydrophobicContact CD1-CD1 4.1Å; F295-L336 HydrophobicContact CD1-CD2 4.4Å; F295-L336 HydrophobicContact CD1-CG 4.02Å; F295-L336 HydrophobicContact CE1-CD1 4.13Å; F295-L336 HydrophobicContact CE1-CG 4.04Å; F295-N350 WeakPolarHBondContact CZ-O 3.44Å; F295-R352 HydrophobicContact CD1-CB 4.38Å; F295-R352 HydrophobicContact CD1-CG 4.25Å; F295-R352 HydrophobicContact CD2-CG 4.15Å; F295-R352 HydrophobicContact CE1-CB 3.84Å; F295-R352 HydrophobicContact CE1-CG 3.82Å; F295-R352 HydrophobicContact CE2-CG 3.69Å; F295-R352 HydrophobicContact CG-CG 4.38Å; F295-R352 HydrophobicContact CZ-CB 3.93Å; F295-R352 HydrophobicContact CZ-CG 3.5Å; F295-R352 VanDerWaalsContact CZ-CG 3.5Å
296	V	98.1	Very high	97.5	Very high	0 Å²	0	64.9 Å²	64.9	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-60.3	-43.7	176.2	170	0	0	0	0	110.1	L288 M292 E293 S298 S299 I304 L336 L362 H365 K367	L288-V296 HydrophobicContact CD1-CG2 3.98Å; M292-V296 WeakPolarHBondContact O-CG2 3.38Å; M292-V296 PolarHBondContact O-N 2.86Å; E293-V296 PolarHBondContact O-N 2.86Å; E293-V296 VanDerWaalsContact O-N 3.1Å; V296-S298 VanDerWaalsContact C-N 3.35Å; V296-S298 PolarHBondContact O-N 3.12Å; V296-S299 VanDerWaalsContact O-CB 3.25Å; V296-S299 WeakPolarHBondContact O-CB 3.32Å; V296-S299 PolarHBondContact O-N 3.2Å; V296-S299 PolarHBondContact O-OG 2.92Å; V296-I304 HydrophobicContact CB-CG2 4.27Å; V296-I304 HydrophobicContact CG1-CD1 4.06Å; V296-I304 HydrophobicContact CG1-CG2 3.91Å; V296-I304 HydrophobicContact CG2-CD1 3.89Å; V296-I304 HydrophobicContact CG2-CG2 4.24Å; V296-L336 HydrophobicContact CG2-CD1 4.02Å; V296-L336 HydrophobicContact CG2-CD2 4.32Å; V296-L362 HydrophobicContact CG2-CD2 4.21Å; V296-H365 WeakPolarHBondContact CG1-CE1 3.34Å; V296-H365 WeakPolarHBondContact CG1-ND1 3.32Å; V296-K367 HydrophobicContact CG1-CB 4.2Å; V296-K367 HydrophobicContact CG1-CD 4.35Å
297	E	97.7	Very high	97.6	Very high	85 Å²	85	58 Å²	58	40%	0.397	31%	0.307	S	S	.	.	H	α-helix	trans	-66.9	-35.3	179.4	-76.2	-51.8	120.6	0	0	113.1	E293 F295 S299 G300 H365 K367	E293-E297 PolarHBondContact O-N 2.78Å; F295-E297 VanDerWaalsContact C-N 3.3Å; F295-E297 PolarHBondContact O-N 3.27Å; E297-S299 PolarHBondContact O-N 3.29Å; E297-G300 PolarHBondContact O-N 2.84Å; E297-G300 VanDerWaalsContact O-N 3.17Å; E297-H365 IonicContact OE1-CE1 2.76Å; E297-K367 PolarHBondContact O-NZ 2.93Å; E297-K367 WeakPolarHBondContact OE1-CE 3.42Å; E297-K367 IonicContact OE1-NZ 2.74Å; E297-K367 WeakPolarHBondContact OE2-CE 3.28Å; E297-K367 IonicContact OE2-NZ 3.65Å; E297-K367 PolarHBondContact OE2-NZ 2.58Å
298	S	97.7	Very high	97.6	Very high	69 Å²	69	52.2 Å²	52.2	48%	0.483	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-7.9	174.5	81.2	0	0	0	0	114.8	E294 F295 V296 G300 K334	E294-S298 WeakPolarHBondContact O-CB 3.5Å; E294-S298 PolarHBondContact O-N 3.1Å; F295-S298 PolarHBondContact O-N 3.05Å; F295-S298 PolarHBondContact O-OG 2.91Å; V296-S298 VanDerWaalsContact C-N 3.35Å; V296-S298 PolarHBondContact O-N 3.12Å; S298-G300 VanDerWaalsContact C-N 3.26Å; S298-G300 PolarHBondContact O-N 2.87Å; S298-K334 WeakPolarHBondContact OG-CE 3.35Å
299	S	97.7	Very high	97.5	Very high	7 Å²	7	51.9 Å²	51.9	5%	0.049	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-12	174.6	68.6	0	0	0	0	114.9	V296 E297 E301 H302 G303 K367	V296-S299 VanDerWaalsContact O-CB 3.25Å; V296-S299 WeakPolarHBondContact O-CB 3.32Å; V296-S299 PolarHBondContact O-N 3.2Å; V296-S299 PolarHBondContact O-OG 2.92Å; E297-S299 PolarHBondContact O-N 3.29Å; S299-E301 PolarHBondContact O-N 2.96Å; S299-H302 PolarHBondContact O-N 2.92Å; S299-G303 WeakPolarHBondContact CB-O 3.48Å; S299-G303 WeakPolarHBondContact OG-CA 3.31Å; S299-K367 WeakPolarHBondContact OG-CD 3.34Å
300	G	96.2	Very high	97.2	Very high	41 Å²	41	48.6 Å²	48.6	42%	0.423	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.9	-134.3	-178.7	0	0	0	0	0	112.3	E297 S298 K367	E297-G300 PolarHBondContact O-N 2.84Å; E297-G300 VanDerWaalsContact O-N 3.17Å; S298-G300 VanDerWaalsContact C-N 3.26Å; S298-G300 PolarHBondContact O-N 2.87Å; G300-K367 PolarHBondContact O-NZ 3.1Å
301	E	96.2	Very high	96.6	Very high	186 Å²	186	41.5 Å²	41.5	87%	0.869	22%	0.219	S	C	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-22	179.9	-61.3	-171.4	169.5	0	0	113.4	S299 G303	S299-E301 PolarHBondContact O-N 2.96Å; E301-G303 VanDerWaalsContact C-N 3.28Å; E301-G303 PolarHBondContact O-N 2.79Å
302	H	97.9	Very high	96	Very high	102 Å²	102	36.2 Å²	36.2	47%	0.472	20%	0.195	S	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-31.2	-177.5	-62.2	-55.3	0	0	0	112.1	S299 P332 Q333 K369	S299-H302 PolarHBondContact O-N 2.92Å; H302-P332 HydrophobicContact CB-CB 4.29Å; H302-P332 HydrophobicContact CB-CG 4.45Å; H302-Q333 HydrophobicContact CB-CG 4.46Å; H302-Q333 WeakPolarHBondContact O-CG 3.5Å; H302-Q333 PolarHBondContact O-NE2 2.95Å; H302-K369 WeakPolarHBondContact O-CG 3.48Å
303	G	98.4	Very high	95.5	Very high	1 Å²	1	35.9 Å²	35.9	1%	0.01	19%	0.193	C	C	.	.			trans	74.3	-162.1	-179.5	0	0	0	0	0	113.5	S299 E301 Q333 K334 K367	S299-G303 WeakPolarHBondContact CB-O 3.48Å; S299-G303 WeakPolarHBondContact OG-CA 3.31Å; E301-G303 VanDerWaalsContact C-N 3.28Å; E301-G303 PolarHBondContact O-N 2.79Å; G303-Q333 WeakPolarHBondContact O-CA 3.34Å; G303-Q333 WeakPolarHBondContact O-CB 3.24Å; G303-K334 PolarHBondContact O-N 3.29Å; G303-K367 CarbonylContact C-O 3.59Å; G303-K367 VanDerWaalsContact CA-O 3.25Å; G303-K367 WeakPolarHBondContact CA-O 3.36Å
304	I	98.8	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	155.2	-171.3	70.8	170.8	0	0	0	113.6	V296 V306 K334 L336 L362 K367 T368 K369	V296-I304 HydrophobicContact CB-CG2 4.27Å; V296-I304 HydrophobicContact CG1-CD1 4.06Å; V296-I304 HydrophobicContact CG1-CG2 3.91Å; V296-I304 HydrophobicContact CG2-CD1 3.89Å; V296-I304 HydrophobicContact CG2-CG2 4.24Å; I304-V306 HydrophobicContact CD1-CG2 4.39Å; I304-K334 CarbonylContact C-O 3.54Å; I304-K334 WeakPolarHBondContact CA-O 3.48Å; I304-K334 HydrophobicContact CG2-CB 4.16Å; I304-L336 HydrophobicContact CB-CD1 4.15Å; I304-L336 HydrophobicContact CD1-CD1 3.93Å; I304-L336 HydrophobicContact CG2-CD1 4.31Å; I304-L362 HydrophobicContact CD1-CD2 4.1Å; I304-K367 PolarHBondContact N-O 3.24Å; I304-T368 WeakPolarHBondContact CD1-OG1 3.37Å; I304-T368 WeakPolarHBondContact CG1-OG1 3.38Å; I304-K369 PolarHBondContact O-N 3.2Å
305	V	98.9	Very high	94.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	128.6	166	176.8	0	0	0	0	108.5	I331 Q333 K334 V335 L336 A370 I372 L429 I433	V305-I331 HydrophobicContact CG2-CD1 3.93Å; V305-Q333 HydrophobicContact CG2-CB 3.94Å; V305-Q333 HydrophobicContact CG2-CG 4.09Å; V305-K334 PolarHBondContact N-O 2.98Å; V305-V335 HydrophobicContact CB-CG1 4.46Å; V305-V335 HydrophobicContact CB-CG2 4.28Å; V305-V335 WeakPolarHBondContact O-CA 3.34Å; V305-L336 PolarHBondContact O-N 3.28Å; V305-A370 HydrophobicContact CG2-CB 4.38Å; V305-I372 HydrophobicContact CG1-CD1 3.79Å; V305-I372 HydrophobicContact CG1-CG1 3.77Å; V305-L429 HydrophobicContact CG1-CD2 4.28Å; V305-I433 HydrophobicContact CG2-CD1 3.96Å
306	V	98.9	Very high	94.1	Very high	0 Å²	0	37.7 Å²	37.7	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	135.7	172.4	-175.9	0	0	0	0	107.8	I304 I357 L362 L363 T368 A370 F371 I372	I304-V306 HydrophobicContact CD1-CG2 4.39Å; V306-I357 HydrophobicContact CG1-CD1 3.65Å; V306-L362 HydrophobicContact CG1-CB 4.49Å; V306-L362 HydrophobicContact CG1-CD1 4.46Å; V306-L362 HydrophobicContact CG2-CB 3.77Å; V306-L363 HydrophobicContact CB-CD2 4.19Å; V306-L363 HydrophobicContact CG2-CD2 4.23Å; V306-T368 HydrophobicContact CG2-CG2 4.11Å; V306-A370 PolarHBondContact N-O 3.32Å; V306-A370 VanDerWaalsContact N-O 3.14Å; V306-F371 HydrophobicContact CB-CD2 4.01Å; V306-F371 HydrophobicContact CG1-CD2 4.05Å; V306-F371 HydrophobicContact CG1-CE2 4.14Å; V306-F371 WeakPolarHBondContact O-CA 3.5Å; V306-F371 WeakPolarHBondContact O-CD2 3.17Å; V306-I372 PolarHBondContact O-N 3.18Å
307	F	98.6	Very high	93.9	Very high	0 Å²	0	40.4 Å²	40.4	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	118.9	177.5	-179.4	-163.2	0	0	0	111.6	L309 I324 L328 V335 L336 W337 R338 I372	F307-L309 HydrophobicContact CE2-CD1 4.36Å; F307-L309 HydrophobicContact CE2-CD2 3.68Å; F307-L309 HydrophobicContact CE2-CG 3.74Å; F307-L309 HydrophobicContact CZ-CD1 4.35Å; F307-L309 HydrophobicContact CZ-CD2 4.36Å; F307-L309 HydrophobicContact CZ-CG 4.21Å; F307-I324 HydrophobicContact CD1-CG2 4.33Å; F307-I324 HydrophobicContact CE1-CG2 3.45Å; F307-I324 VanDerWaalsContact CE1-CG2 3.45Å; F307-I324 HydrophobicContact CZ-CD1 4.27Å; F307-I324 HydrophobicContact CZ-CG2 4.1Å; F307-L328 HydrophobicContact CD1-CD1 3.97Å; F307-L328 HydrophobicContact CE1-CD1 4.34Å; F307-V335 HydrophobicContact CB-CG1 4.4Å; F307-L336 PolarHBondContact N-O 3.32Å; F307-W337 HydrophobicContact CB-CB 4.25Å; F307-W337 HydrophobicContact CB-CG 4.25Å; F307-W337 HydrophobicContact CD1-CB 4.14Å; F307-W337 AromaticContact CD1-CD1 3.24Å; F307-W337 AromaticContact CD1-CD2 3.54Å; F307-W337 HydrophobicContact CD1-CD2 3.54Å; F307-W337 AromaticContact CD1-CE2 3.55Å; F307-W337 HydrophobicContact CD1-CE3 4.3Å; F307-W337 AromaticContact CD1-CG 3.41Å; F307-W337 HydrophobicContact CD1-CG 3.41Å; F307-W337 VanDerWaalsContact CD1-CG 3.41Å; F307-W337 HydrophobicContact CD1-CZ2 4.32Å; F307-W337 AromaticContact CD1-NE1 3.35Å; F307-W337 AromaticContact CE1-CD1 3.62Å; F307-W337 AromaticContact CE1-CD2 3.65Å; F307-W337 HydrophobicContact CE1-CD2 3.65Å; F307-W337 AromaticContact CE1-CE2 3.17Å; F307-W337 HydrophobicContact CE1-CE3 4.34Å; F307-W337 AromaticContact CE1-CG 3.96Å; F307-W337 HydrophobicContact CE1-CG 3.96Å; F307-W337 HydrophobicContact CE1-CH2 4.25Å; F307-W337 AromaticContact CE1-CZ2 3.54Å; F307-W337 HydrophobicContact CE1-CZ2 3.54Å; F307-W337 AromaticContact CE1-NE1 3.15Å; F307-W337 AromaticContact CG-CD1 3.6Å; F307-W337 HydrophobicContact CG-CG 4.04Å; F307-W337 AromaticContact CG-NE1 3.97Å; F307-W337 AromaticContact CZ-CE2 3.97Å; F307-W337 HydrophobicContact CZ-CZ2 4.2Å; F307-W337 AromaticContact CZ-NE1 3.65Å; F307-W337 WeakPolarHBondContact O-CA 3.26Å; F307-R338 PolarHBondContact O-N 2.76Å; F307-I372 WeakPolarHBondContact CA-O 3.17Å; F307-I372 HydrophobicContact CB-CB 3.99Å; F307-I372 HydrophobicContact CB-CD1 4.27Å; F307-I372 HydrophobicContact CD1-CD1 4.41Å; F307-I372 HydrophobicContact CD2-CB 3.5Å; F307-I372 VanDerWaalsContact CD2-CB 3.5Å; F307-I372 HydrophobicContact CD2-CG2 3.35Å; F307-I372 WeakPolarHBondContact CD2-O 3.42Å; F307-I372 HydrophobicContact CE2-CB 4.19Å; F307-I372 HydrophobicContact CE2-CG2 3.5Å; F307-I372 VanDerWaalsContact CE2-CG2 3.5Å; F307-I372 HydrophobicContact CG-CB 3.83Å; F307-I372 HydrophobicContact CG-CD1 4.19Å; F307-I372 HydrophobicContact CG-CG2 3.98Å; F307-I372 HydrophobicContact CZ-CG2 4.22Å
308	S	97.6	Very high	93.7	Very high	6 Å²	6	41 Å²	41	4%	0.042	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	132.1	177.5	178.6	0	0	0	0	112.4	G310 Q359 I372 T373 H374	S308-G310 VanDerWaalsContact C-N 3.33Å; S308-G310 PolarHBondContact OG-N 3.12Å; S308-Q359 PolarHBondContact OG-OE1 2.9Å; S308-Q359 VanDerWaalsContact OG-OE1 3.06Å; S308-I372 PolarHBondContact N-O 3.12Å; S308-T373 WeakPolarHBondContact O-CA 3.24Å; S308-H374 PolarHBondContact O-N 3.42Å
309	L	95.4	Very high	93.5	Very high	9 Å²	9	44 Å²	44	5%	0.047	23%	0.234	C	C	.	.			trans	-97.6	22.2	171.5	-61.3	178	0	0	0	112.7	F307 V313 L316 H374 I395	F307-L309 HydrophobicContact CE2-CD1 4.36Å; F307-L309 HydrophobicContact CE2-CD2 3.68Å; F307-L309 HydrophobicContact CE2-CG 3.74Å; F307-L309 HydrophobicContact CZ-CD1 4.35Å; F307-L309 HydrophobicContact CZ-CD2 4.36Å; F307-L309 HydrophobicContact CZ-CG 4.21Å; L309-V313 HydrophobicContact CB-CB 4.08Å; L309-V313 HydrophobicContact CB-CG1 4.18Å; L309-V313 HydrophobicContact CD1-CG1 4.16Å; L309-L316 HydrophobicContact CD1-CD1 3.91Å; L309-L316 HydrophobicContact CD1-CD2 4.05Å; L309-L316 HydrophobicContact CD1-CG 4.18Å; L309-H374 HydrophobicContact CB-CB 4.27Å; L309-H374 HydrophobicContact CD2-CB 3.83Å; L309-H374 PolarHBondContact O-CD2 3.13Å; L309-I395 HydrophobicContact CB-CD1 4.26Å; L309-I395 HydrophobicContact CD1-CD1 4.2Å; L309-I395 HydrophobicContact CD2-CD1 4.24Å; L309-I395 HydrophobicContact CG-CD1 4.47Å
310	G	90.8	Very high	93.4	Very high	11 Å²	11	45.4 Å²	45.4	11%	0.113	24%	0.239	C	C	.	.	T	Hydrogen-bonded Turn	trans	83.7	-165.2	176.7	0	0	0	0	0	113.9	S308 R338	S308-G310 VanDerWaalsContact C-N 3.33Å; S308-G310 PolarHBondContact OG-N 3.12Å; G310-R338 PolarHBondContact O-NH1 3.35Å
311	S	83.4	Confident	93.4	Very high	11 Å²	11	43.5 Å²	43.5	8%	0.077	22%	0.219	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.4	-33.2	-174.2	52.3	0	0	0	0	113.5
312	M	83.9	Confident	93.5	Very high	44 Å²	44	36.2 Å²	36.2	22%	0.217	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.5	-39.7	-172.7	-63	-174.7	-86.6	0	0	112.9	M33 L89 V93 K314 F396	M33-M312 HydrophobicContact CB-CG 4.47Å; M33-M312 HydrophobicContact CG-CG 4.19Å; M33-M312 HydrophobicContact CG-SD 4.41Å; M33-M312 HydrophobicContact SD-CG 4.16Å; L89-M312 HydrophobicContact CD1-CB 4.1Å; L89-M312 HydrophobicContact CD1-CG 3.75Å; L89-M312 HydrophobicContact CD1-SD 3.74Å; V93-M312 HydrophobicContact CG2-CB 4.17Å; M312-K314 PolarHBondContact O-N 3.29Å; M312-F396 HydrophobicContact CE-CE2 3.85Å; M312-F396 HydrophobicContact CE-CZ 3.64Å; M312-F396 HydrophobicContact SD-CE2 4.43Å; M312-F396 HydrophobicContact SD-CZ 4.1Å
313	V	86.9	Confident	93.5	Very high	7 Å²	7	33.9 Å²	33.9	4%	0.042	18%	0.177	C	C	.	.			trans	-89.3	97.4	-178.1	-178.5	0	0	0	0	109.9	V93 L309 N315 L316 R338 I395 F396	V93-V313 HydrophobicContact CG1-CG2 4.47Å; L309-V313 HydrophobicContact CB-CB 4.08Å; L309-V313 HydrophobicContact CB-CG1 4.18Å; L309-V313 HydrophobicContact CD1-CG1 4.16Å; V313-N315 WeakPolarHBondContact CG1-O 3.41Å; V313-L316 HydrophobicContact CG1-CD2 4.11Å; V313-R338 PolarHBondContact O-NH1 3.37Å; V313-I395 HydrophobicContact CB-CD1 4.3Å; V313-I395 HydrophobicContact CG1-CD1 4.22Å; V313-I395 HydrophobicContact CG2-CD1 3.77Å; V313-F396 HydrophobicContact CG2-CE1 4.06Å
314	K	84.9	Confident	93.5	Very high	108 Å²	108	33.9 Å²	33.9	47%	0.47	18%	0.176	S	C	.	.			trans	-82.5	-30.7	-177.7	-61	-176.1	179.7	172.4	0	113.5	M312 S340	M312-K314 PolarHBondContact O-N 3.29Å; K314-S340 PolarHBondContact O-N 3.44Å
315	N	88	Confident	93.4	Very high	91 Å²	91	33.9 Å²	33.9	49%	0.487	18%	0.176	S	C	.	.			trans	-149.2	175.8	-177	62.2	-4.4	0	0	0	111	V313 Y339 G341	V313-N315 WeakPolarHBondContact CG1-O 3.41Å; N315-Y339 HydrophobicContact CB-CE2 4.18Å; N315-G341 VanDerWaalsContact CB-CA 3.44Å
316	L	91.2	Very high	93.4	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.073	19%	0.189	C	C	.	.			trans	-132.6	169	174	-64.7	174.3	0	0	0	108.2	L309 V313 K320 A321 I324 Y339 L417	L309-L316 HydrophobicContact CD1-CD1 3.91Å; L309-L316 HydrophobicContact CD1-CD2 4.05Å; L309-L316 HydrophobicContact CD1-CG 4.18Å; V313-L316 HydrophobicContact CG1-CD2 4.11Å; L316-K320 HydrophobicContact CB-CB 4.17Å; L316-K320 HydrophobicContact CD1-CB 4.41Å; L316-A321 HydrophobicContact CB-CB 4.44Å; L316-I324 HydrophobicContact CD1-CD1 3.56Å; L316-Y339 HydrophobicContact CB-CE2 4.49Å; L316-L417 HydrophobicContact CD1-CD1 4.44Å; L316-L417 HydrophobicContact CD2-CD2 4.36Å
317	T	91.9	Very high	93.4	Very high	56 Å²	56	35.6 Å²	35.6	34%	0.344	19%	0.189	S	C	.	.			trans	-58.4	150.8	167.9	61.3	0	0	0	0	110.4	D319 K320 A321	T317-D319 PolarHBondContact O-N 3.1Å; T317-K320 PolarHBondContact O-N 3.18Å; T317-K320 WeakPolarHBondContact OG1-CG 3.46Å; T317-A321 WeakPolarHBondContact O-CB 3.47Å; T317-A321 PolarHBondContact O-N 3.45Å
318	E	94.4	Very high	93.4	Very high	97 Å²	97	35.6 Å²	35.6	45%	0.453	19%	0.189	S	C	.	.	H	α-helix	trans	-56.2	-40.2	-178	-65.4	-166.2	-158.1	0	0	111.6	A321 N322 K342	E318-A321 PolarHBondContact O-N 2.93Å; E318-N322 VanDerWaalsContact O-CB 3.29Å; E318-N322 WeakPolarHBondContact O-CB 3.37Å; E318-N322 VanDerWaalsContact O-CG 3.26Å; E318-N322 PolarHBondContact O-N 3.27Å; E318-N322 PolarHBondContact O-ND2 2.95Å; E318-K342 VanDerWaalsContact CD-CD 3.48Å; E318-K342 HydrophobicContact CG-CD 4.24Å; E318-K342 WeakPolarHBondContact OE1-CD 3.2Å; E318-K342 IonicContact OE1-NZ 3Å; E318-K342 PolarHBondContact OE1-NZ 3.29Å; E318-K342 IonicContact OE2-NZ 3.18Å; E318-K342 PolarHBondContact OE2-NZ 2.85Å
319	D	93.9	Very high	93.4	Very high	134 Å²	134	37.3 Å²	37.3	72%	0.717	20%	0.203	S	C	*	.	H	α-helix	trans	-61.2	-49.1	178.3	-62.6	-23.9	0	0	0	112.3	T317 A321 N322 L323	T317-D319 PolarHBondContact O-N 3.1Å; D319-A321 VanDerWaalsContact C-N 3.34Å; D319-A321 PolarHBondContact O-N 3.45Å; D319-N322 PolarHBondContact O-N 3.03Å; D319-L323 VanDerWaalsContact O-CB 3.31Å; D319-L323 WeakPolarHBondContact O-CB 3.44Å; D319-L323 PolarHBondContact O-N 3.15Å
320	K	94.8	Very high	93.6	Very high	36 Å²	36	42 Å²	42	16%	0.157	22%	0.224	C	C	.	.	H	α-helix	trans	-63.7	-41.8	177.8	-74.2	177.1	173.7	176.6	0	110.9	V97 L316 T317 L323 I324 L417 N418	V97-K320 PolarHBondContact O-NZ 3.3Å; L316-K320 HydrophobicContact CB-CB 4.17Å; L316-K320 HydrophobicContact CD1-CB 4.41Å; T317-K320 PolarHBondContact O-N 3.18Å; T317-K320 WeakPolarHBondContact OG1-CG 3.46Å; K320-L323 PolarHBondContact O-N 3.29Å; K320-I324 WeakPolarHBondContact O-CD1 3.41Å; K320-I324 VanDerWaalsContact O-CG1 3.3Å; K320-I324 WeakPolarHBondContact O-CG1 3.33Å; K320-I324 PolarHBondContact O-N 3.4Å; K320-L417 HydrophobicContact CD-CD1 4.35Å; K320-L417 HydrophobicContact CD-CG 4.28Å; K320-N418 PolarHBondContact NZ-OD1 2.9Å
321	A	96.7	Very high	93.9	Very high	1 Å²	1	41.8 Å²	41.8	1%	0.008	22%	0.221	C	C	.	.	H	α-helix	trans	-67	-40.7	-180	0	0	0	0	0	112	L316 T317 E318 D319 A325 W337 Y339 P344	L316-A321 HydrophobicContact CB-CB 4.44Å; T317-A321 WeakPolarHBondContact O-CB 3.47Å; T317-A321 PolarHBondContact O-N 3.45Å; E318-A321 PolarHBondContact O-N 2.93Å; D319-A321 VanDerWaalsContact C-N 3.34Å; D319-A321 PolarHBondContact O-N 3.45Å; A321-A325 WeakPolarHBondContact O-CB 3.42Å; A321-A325 PolarHBondContact O-N 2.51Å; A321-W337 HydrophobicContact CB-CH2 4.5Å; A321-Y339 HydrophobicContact CB-CE2 4.27Å; A321-Y339 WeakPolarHBondContact CB-OH 3.33Å; A321-P344 HydrophobicContact CB-CG 4Å
322	N	97.8	Very high	94.6	Very high	33 Å²	33	44.9 Å²	44.9	18%	0.176	24%	0.24	C	C	.	.	H	α-helix	trans	-66.6	-42.4	174.4	-75.8	-44.1	0	0	0	111.8	E318 D319 I324 A325 S326 P344 A345 T346	E318-N322 VanDerWaalsContact O-CB 3.29Å; E318-N322 WeakPolarHBondContact O-CB 3.37Å; E318-N322 VanDerWaalsContact O-CG 3.26Å; E318-N322 PolarHBondContact O-N 3.27Å; E318-N322 PolarHBondContact O-ND2 2.95Å; D319-N322 PolarHBondContact O-N 3.03Å; N322-I324 PolarHBondContact O-N 2.85Å; N322-A325 PolarHBondContact O-N 3.48Å; N322-S326 WeakPolarHBondContact O-CB 3.44Å; N322-S326 PolarHBondContact O-N 3.16Å; N322-S326 PolarHBondContact O-OG 2.97Å; N322-P344 WeakPolarHBondContact OD1-CA 3.35Å; N322-P344 WeakPolarHBondContact OD1-CB 3.3Å; N322-A345 PolarHBondContact OD1-N 3.41Å; N322-T346 WeakPolarHBondContact CA-OG1 3.44Å; N322-T346 PolarHBondContact O-OG1 2.84Å; N322-T346 PolarHBondContact OD1-N 3.45Å
323	L	97.8	Very high	95.3	Very high	53 Å²	53	43.4 Å²	43.4	28%	0.277	23%	0.233	S	C	.	.	H	α-helix	trans	-59.2	-47	176.8	-176.8	154.6	0	0	0	111.4	D319 K320 S326 A327 M420	D319-L323 VanDerWaalsContact O-CB 3.31Å; D319-L323 WeakPolarHBondContact O-CB 3.44Å; D319-L323 PolarHBondContact O-N 3.15Å; K320-L323 PolarHBondContact O-N 3.29Å; L323-S326 PolarHBondContact O-N 2.76Å; L323-A327 PolarHBondContact O-N 3.37Å; L323-M420 WeakPolarHBondContact CD1-O 3.47Å; L323-M420 HydrophobicContact CD2-CE 4.01Å; L323-M420 HydrophobicContact CD2-CG 4.17Å
324	I	98.3	Very high	95.9	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.2	-46.2	177	-65.3	162.9	0	0	0	110.8	F307 L316 K320 N322 S326 A327 L328 W337 L417 M420 L425	F307-I324 HydrophobicContact CD1-CG2 4.33Å; F307-I324 HydrophobicContact CE1-CG2 3.45Å; F307-I324 VanDerWaalsContact CE1-CG2 3.45Å; F307-I324 HydrophobicContact CZ-CD1 4.27Å; F307-I324 HydrophobicContact CZ-CG2 4.1Å; L316-I324 HydrophobicContact CD1-CD1 3.56Å; K320-I324 WeakPolarHBondContact O-CD1 3.41Å; K320-I324 VanDerWaalsContact O-CG1 3.3Å; K320-I324 WeakPolarHBondContact O-CG1 3.33Å; K320-I324 PolarHBondContact O-N 3.4Å; N322-I324 PolarHBondContact O-N 2.85Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.13Å; I324-A327 WeakPolarHBondContact O-CB 3.2Å; I324-A327 PolarHBondContact O-N 2.86Å; I324-A327 VanDerWaalsContact O-N 3.11Å; I324-L328 HydrophobicContact CG2-CD1 3.77Å; I324-L328 HydrophobicContact CG2-CG 4.14Å; I324-L328 VanDerWaalsContact O-CG 3.31Å; I324-L328 WeakPolarHBondContact O-CG 3.34Å; I324-L328 PolarHBondContact O-N 2.96Å; I324-W337 HydrophobicContact CB-CH2 4.21Å; I324-W337 HydrophobicContact CG2-CH2 4.04Å; I324-W337 HydrophobicContact CG2-CZ2 4.36Å; I324-W337 HydrophobicContact CG2-CZ3 4.38Å; I324-L417 HydrophobicContact CD1-CD1 4.41Å; I324-M420 HydrophobicContact CD1-CE 3.76Å; I324-M420 HydrophobicContact CG1-CE 3.43Å; I324-M420 VanDerWaalsContact CG1-CE 3.43Å; I324-L425 HydrophobicContact CB-CD2 4.24Å; I324-L425 HydrophobicContact CG1-CD2 4.14Å; I324-L425 HydrophobicContact CG2-CD2 3.77Å
325	A	98.4	Very high	96.6	Very high	0 Å²	0	40.1 Å²	40.1	0%	0	22%	0.218	C	C	.	.	H	α-helix	trans	-58.3	-38.9	178.6	0	0	0	0	0	112.6	A321 N322 A327 L328 A329 W337 P344 T346 L347	A321-A325 WeakPolarHBondContact O-CB 3.42Å; A321-A325 PolarHBondContact O-N 2.51Å; N322-A325 PolarHBondContact O-N 3.48Å; A325-A327 PolarHBondContact O-N 3.37Å; A325-L328 PolarHBondContact O-N 3.15Å; A325-A329 WeakPolarHBondContact O-CB 3.49Å; A325-A329 PolarHBondContact O-N 3.27Å; A325-W337 HydrophobicContact CB-CZ3 4.16Å; A325-P344 HydrophobicContact CB-CB 3.56Å; A325-P344 HydrophobicContact CB-CG 4.03Å; A325-T346 WeakPolarHBondContact CB-OG1 3.49Å; A325-L347 HydrophobicContact CB-CD1 4.25Å
326	S	98.4	Very high	97.1	Very high	37 Å²	37	35.8 Å²	35.8	26%	0.259	20%	0.195	S	C	.	.	H	α-helix	trans	-62.7	-38.4	175.5	-64.8	0	0	0	0	112.8	N322 L323 I324 Q330 T346	N322-S326 WeakPolarHBondContact O-CB 3.44Å; N322-S326 PolarHBondContact O-N 3.16Å; N322-S326 PolarHBondContact O-OG 2.97Å; L323-S326 PolarHBondContact O-N 2.76Å; I324-S326 VanDerWaalsContact C-N 3.27Å; I324-S326 PolarHBondContact O-N 3.13Å; S326-Q330 WeakPolarHBondContact O-CG 3.46Å; S326-Q330 PolarHBondContact O-NE2 2.74Å; S326-T346 WeakPolarHBondContact OG-CB 3.3Å; S326-T346 WeakPolarHBondContact OG-CG2 3.43Å; S326-T346 PolarHBondContact OG-OG1 3.1Å
327	A	98.5	Very high	97.4	Very high	0 Å²	0	35.1 Å²	35.1	0%	0	19%	0.192	C	C	.	.	H	α-helix	trans	-69	-44.8	175.8	0	0	0	0	0	111.1	L323 I324 A325 A329 Q330 S422 L425 L426	L323-A327 PolarHBondContact O-N 3.37Å; I324-A327 WeakPolarHBondContact O-CB 3.2Å; I324-A327 PolarHBondContact O-N 2.86Å; I324-A327 VanDerWaalsContact O-N 3.11Å; A325-A327 PolarHBondContact O-N 3.37Å; A327-A329 VanDerWaalsContact C-N 3.3Å; A327-A329 PolarHBondContact O-N 2.88Å; A327-Q330 PolarHBondContact O-N 3.14Å; A327-S422 VanDerWaalsContact CA-OG 3.31Å; A327-S422 WeakPolarHBondContact CA-OG 3.45Å; A327-S422 VanDerWaalsContact CB-O 3.28Å; A327-S422 WeakPolarHBondContact CB-O 3.39Å; A327-S422 WeakPolarHBondContact CB-OG 3.36Å; A327-S422 PolarHBondContact N-OG 3.44Å; A327-S422 VanDerWaalsContact N-OG 3.1Å; A327-L425 HydrophobicContact CB-CB 4.04Å; A327-L425 HydrophobicContact CB-CD2 4Å; A327-L425 HydrophobicContact CB-CG 4.08Å; A327-L426 HydrophobicContact CB-CB 4.42Å
328	L	98.7	Very high	97.7	Very high	0 Å²	0	33.2 Å²	33.2	0%	0	18%	0.178	C	C	.	.	H	α-helix	trans	-64.8	-32.6	179.6	-63.6	175	0	0	0	112.4	F307 I324 A325 Q330 I331 V335 W337 N350 T351 I372 L429	F307-L328 HydrophobicContact CD1-CD1 3.97Å; F307-L328 HydrophobicContact CE1-CD1 4.34Å; I324-L328 HydrophobicContact CG2-CD1 3.77Å; I324-L328 HydrophobicContact CG2-CG 4.14Å; I324-L328 VanDerWaalsContact O-CG 3.31Å; I324-L328 WeakPolarHBondContact O-CG 3.34Å; I324-L328 PolarHBondContact O-N 2.96Å; A325-L328 PolarHBondContact O-N 3.15Å; L328-Q330 PolarHBondContact O-N 3.41Å; L328-I331 VanDerWaalsContact O-CG1 3.22Å; L328-I331 WeakPolarHBondContact O-CG1 3.47Å; L328-I331 PolarHBondContact O-N 3.5Å; L328-V335 HydrophobicContact CB-CG2 4.43Å; L328-V335 HydrophobicContact CD1-CG1 4.12Å; L328-V335 HydrophobicContact CD2-CG1 4.18Å; L328-V335 HydrophobicContact CD2-CG2 4.25Å; L328-W337 HydrophobicContact CD1-CD2 4.47Å; L328-W337 HydrophobicContact CD1-CE3 3.88Å; L328-W337 HydrophobicContact CD1-CZ3 4.14Å; L328-N350 PolarHBondContact O-ND2 3.1Å; L328-T351 HydrophobicContact CD1-CG2 4.47Å; L328-I372 HydrophobicContact CD2-CD1 3.65Å; L328-L429 HydrophobicContact CD2-CD1 3.97Å
329	A	98.4	Very high	97.8	Very high	42 Å²	42	29.1 Å²	29.1	35%	0.347	16%	0.159	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-18.7	177.2	0	0	0	0	0	113.6	A325 A327	A325-A329 WeakPolarHBondContact O-CB 3.49Å; A325-A329 PolarHBondContact O-N 3.27Å; A327-A329 VanDerWaalsContact C-N 3.3Å; A327-A329 PolarHBondContact O-N 2.88Å
330	Q	98.3	Very high	97.7	Very high	106 Å²	106	25.1 Å²	25.1	50%	0.495	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-94.3	-8	-174.9	-66.5	177.4	67	0	0	114	S326 A327 L328 L426	S326-Q330 WeakPolarHBondContact O-CG 3.46Å; S326-Q330 PolarHBondContact O-NE2 2.74Å; A327-Q330 PolarHBondContact O-N 3.14Å; L328-Q330 PolarHBondContact O-N 3.41Å; Q330-L426 HydrophobicContact CB-CD1 3.98Å; Q330-L426 HydrophobicContact CB-CD2 4.04Å; Q330-L426 VanDerWaalsContact OE1-CD2 3.31Å
331	I	98.4	Very high	97.6	Very high	8 Å²	8	24.4 Å²	24.4	4%	0.041	14%	0.144	C	C	.	.	S	Bend	trans	-94.5	145.8	177.3	62.6	168.1	0	0	0	111.1	V305 L328 Q333 V335 N350 L426 L429	V305-I331 HydrophobicContact CG2-CD1 3.93Å; L328-I331 VanDerWaalsContact O-CG1 3.22Å; L328-I331 WeakPolarHBondContact O-CG1 3.47Å; L328-I331 PolarHBondContact O-N 3.5Å; I331-Q333 VanDerWaalsContact C-N 3.26Å; I331-Q333 HydrophobicContact CD1-CB 4.09Å; I331-Q333 PolarHBondContact O-N 3.36Å; I331-V335 HydrophobicContact CD1-CG2 3.87Å; I331-V335 HydrophobicContact CG1-CG2 4.37Å; I331-N350 PolarHBondContact O-ND2 2.98Å; I331-L426 HydrophobicContact CG2-CD1 3.46Å; I331-L426 VanDerWaalsContact CG2-CD1 3.46Å; I331-L429 HydrophobicContact CD1-CD1 4.38Å
332	P	97.9	Very high	97.5	Very high	75 Å²	75	30.7 Å²	30.7	49%	0.487	17%	0.171	S	C	.	.	S	Bend	trans	-74.9	-15.2	-179.3	31.1	-37	0	0	0	113.4	H302	H302-P332 HydrophobicContact CB-CB 4.29Å; H302-P332 HydrophobicContact CB-CG 4.45Å
333	Q	98.7	Very high	97.5	Very high	14 Å²	14	36.1 Å²	36.1	7%	0.065	19%	0.193	C	C	.	.	S	Bend	trans	-65.9	151.2	177.6	-70.9	72.3	24.4	0	0	111.9	H302 G303 V305 I331 N350 I433	H302-Q333 HydrophobicContact CB-CG 4.46Å; H302-Q333 WeakPolarHBondContact O-CG 3.5Å; H302-Q333 PolarHBondContact O-NE2 2.95Å; G303-Q333 WeakPolarHBondContact O-CA 3.34Å; G303-Q333 WeakPolarHBondContact O-CB 3.24Å; V305-Q333 HydrophobicContact CG2-CB 3.94Å; V305-Q333 HydrophobicContact CG2-CG 4.09Å; I331-Q333 VanDerWaalsContact C-N 3.26Å; I331-Q333 HydrophobicContact CD1-CB 4.09Å; I331-Q333 PolarHBondContact O-N 3.36Å; Q333-N350 PolarHBondContact O-ND2 2.91Å; Q333-I433 HydrophobicContact CG-CD1 4.36Å
334	K	98.8	Very high	97.4	Very high	45 Å²	45	34 Å²	34	20%	0.196	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-76.6	140.3	161.9	-63.1	-58.4	-169	-175.9	0	109.8	F295 S298 G303 I304 V305 N350	F295-K334 HydrophobicContact CD1-CB 4.46Å; F295-K334 HydrophobicContact CD2-CD 4.44Å; F295-K334 HydrophobicContact CE1-CB 3.87Å; F295-K334 HydrophobicContact CE2-CB 4.35Å; F295-K334 HydrophobicContact CE2-CD 3.7Å; F295-K334 HydrophobicContact CE2-CG 4.18Å; F295-K334 HydrophobicContact CZ-CB 3.83Å; F295-K334 HydrophobicContact CZ-CD 3.85Å; F295-K334 HydrophobicContact CZ-CG 4.15Å; S298-K334 WeakPolarHBondContact OG-CE 3.35Å; G303-K334 PolarHBondContact O-N 3.29Å; I304-K334 CarbonylContact C-O 3.54Å; I304-K334 WeakPolarHBondContact CA-O 3.48Å; I304-K334 HydrophobicContact CG2-CB 4.16Å; V305-K334 PolarHBondContact N-O 2.98Å; K334-N350 CarbonylContact C-O 3.54Å; K334-N350 VanDerWaalsContact CA-O 3.29Å; K334-N350 WeakPolarHBondContact CA-O 3.45Å; K334-N350 HydrophobicContact CD-CB 4.21Å
335	V	98.8	Very high	97.4	Very high	0 Å²	0	38.6 Å²	38.6	0%	0	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	125.8	-177.8	-172	0	0	0	0	110	V305 F307 L328 I331 N350 T351 R352	V305-V335 HydrophobicContact CB-CG1 4.46Å; V305-V335 HydrophobicContact CB-CG2 4.28Å; V305-V335 WeakPolarHBondContact O-CA 3.34Å; F307-V335 HydrophobicContact CB-CG1 4.4Å; L328-V335 HydrophobicContact CB-CG2 4.43Å; L328-V335 HydrophobicContact CD1-CG1 4.12Å; L328-V335 HydrophobicContact CD2-CG1 4.18Å; L328-V335 HydrophobicContact CD2-CG2 4.25Å; I331-V335 HydrophobicContact CD1-CG2 3.87Å; I331-V335 HydrophobicContact CG1-CG2 4.37Å; V335-N350 PolarHBondContact N-O 2.92Å; V335-T351 HydrophobicContact CB-CG2 3.93Å; V335-T351 HydrophobicContact CG1-CG2 4.15Å; V335-T351 WeakPolarHBondContact O-CA 3.26Å; V335-R352 PolarHBondContact O-N 3.48Å
336	L	98.7	Very high	97.4	Very high	0 Å²	0	41.3 Å²	41.3	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	107.2	171.1	-66.4	92.3	0	0	0	108.2	M292 F295 V296 I304 V305 F307 F354 L362	M292-L336 HydrophobicContact CE-CD2 4.24Å; M292-L336 HydrophobicContact CG-CD2 3.56Å; M292-L336 HydrophobicContact SD-CD2 3.9Å; F295-L336 HydrophobicContact CD1-CD1 4.1Å; F295-L336 HydrophobicContact CD1-CD2 4.4Å; F295-L336 HydrophobicContact CD1-CG 4.02Å; F295-L336 HydrophobicContact CE1-CD1 4.13Å; F295-L336 HydrophobicContact CE1-CG 4.04Å; V296-L336 HydrophobicContact CG2-CD1 4.02Å; V296-L336 HydrophobicContact CG2-CD2 4.32Å; I304-L336 HydrophobicContact CB-CD1 4.15Å; I304-L336 HydrophobicContact CD1-CD1 3.93Å; I304-L336 HydrophobicContact CG2-CD1 4.31Å; V305-L336 PolarHBondContact O-N 3.28Å; F307-L336 PolarHBondContact N-O 3.32Å; L336-F354 HydrophobicContact CB-CD2 4.42Å; L336-F354 HydrophobicContact CB-CE2 4.11Å; L336-F354 HydrophobicContact CD2-CE2 3.82Å; L336-F354 HydrophobicContact CD2-CZ 4.16Å; L336-F354 HydrophobicContact CG-CE2 4.01Å; L336-L362 HydrophobicContact CB-CD1 4.43Å; L336-L362 HydrophobicContact CD1-CD2 4.44Å; L336-L362 HydrophobicContact CD2-CD1 4.05Å; L336-L362 HydrophobicContact CD2-CD2 3.71Å
337	W	98.4	Very high	97.4	Very high	1 Å²	1	41.2 Å²	41.2	0%	0.004	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.4	-173.5	-178.4	9.9	0	0	0	110.9	F307 A321 I324 A325 L328 Y339 P344 L347 T351 R352 L353 F354	F307-W337 HydrophobicContact CB-CB 4.25Å; F307-W337 HydrophobicContact CB-CG 4.25Å; F307-W337 HydrophobicContact CD1-CB 4.14Å; F307-W337 AromaticContact CD1-CD1 3.24Å; F307-W337 AromaticContact CD1-CD2 3.54Å; F307-W337 HydrophobicContact CD1-CD2 3.54Å; F307-W337 AromaticContact CD1-CE2 3.55Å; F307-W337 HydrophobicContact CD1-CE3 4.3Å; F307-W337 AromaticContact CD1-CG 3.41Å; F307-W337 HydrophobicContact CD1-CG 3.41Å; F307-W337 VanDerWaalsContact CD1-CG 3.41Å; F307-W337 HydrophobicContact CD1-CZ2 4.32Å; F307-W337 AromaticContact CD1-NE1 3.35Å; F307-W337 AromaticContact CE1-CD1 3.62Å; F307-W337 AromaticContact CE1-CD2 3.65Å; F307-W337 HydrophobicContact CE1-CD2 3.65Å; F307-W337 AromaticContact CE1-CE2 3.17Å; F307-W337 HydrophobicContact CE1-CE3 4.34Å; F307-W337 AromaticContact CE1-CG 3.96Å; F307-W337 HydrophobicContact CE1-CG 3.96Å; F307-W337 HydrophobicContact CE1-CH2 4.25Å; F307-W337 AromaticContact CE1-CZ2 3.54Å; F307-W337 HydrophobicContact CE1-CZ2 3.54Å; F307-W337 AromaticContact CE1-NE1 3.15Å; F307-W337 AromaticContact CG-CD1 3.6Å; F307-W337 HydrophobicContact CG-CG 4.04Å; F307-W337 AromaticContact CG-NE1 3.97Å; F307-W337 AromaticContact CZ-CE2 3.97Å; F307-W337 HydrophobicContact CZ-CZ2 4.2Å; F307-W337 AromaticContact CZ-NE1 3.65Å; F307-W337 WeakPolarHBondContact O-CA 3.26Å; A321-W337 HydrophobicContact CB-CH2 4.5Å; I324-W337 HydrophobicContact CB-CH2 4.21Å; I324-W337 HydrophobicContact CG2-CH2 4.04Å; I324-W337 HydrophobicContact CG2-CZ2 4.36Å; I324-W337 HydrophobicContact CG2-CZ3 4.38Å; A325-W337 HydrophobicContact CB-CZ3 4.16Å; L328-W337 HydrophobicContact CD1-CD2 4.47Å; L328-W337 HydrophobicContact CD1-CE3 3.88Å; L328-W337 HydrophobicContact CD1-CZ3 4.14Å; W337-Y339 AromaticContact CE2-CD2 3.98Å; W337-Y339 AromaticContact CZ2-CD2 3.79Å; W337-Y339 HydrophobicContact CZ2-CD2 3.79Å; W337-Y339 HydrophobicContact CZ2-CE2 4.24Å; W337-Y339 HydrophobicContact CZ2-CG 4.17Å; W337-Y339 PolarHBondContact O-N 2.93Å; W337-P344 HydrophobicContact CH2-CG 4.15Å; W337-P344 HydrophobicContact CZ3-CG 4.06Å; W337-L347 HydrophobicContact CE3-CD1 4.25Å; W337-L347 HydrophobicContact CZ3-CD1 4.25Å; W337-T351 HydrophobicContact CB-CG2 4.22Å; W337-T351 HydrophobicContact CE3-CG2 4.17Å; W337-R352 PolarHBondContact N-O 3.38Å; W337-L353 HydrophobicContact CB-CD2 4.03Å; W337-L353 HydrophobicContact CD2-CD2 3.82Å; W337-L353 HydrophobicContact CE3-CD2 3.53Å; W337-L353 HydrophobicContact CG-CD2 4.07Å; W337-L353 HydrophobicContact CZ3-CD2 4.28Å; W337-L353 CarbonylContact O-C 3.58Å; W337-L353 WeakPolarHBondContact O-CA 3.13Å; W337-F354 PolarHBondContact O-N 2.94Å
338	R	96.9	Very high	97.3	Very high	15 Å²	15	42 Å²	42	6%	0.057	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.7	109.8	167.7	-170.9	-90	161.7	169.5	-0.3	109.7	F307 G310 V313 F354 N355 I357	F307-R338 PolarHBondContact O-N 2.76Å; G310-R338 PolarHBondContact O-NH1 3.35Å; V313-R338 PolarHBondContact O-NH1 3.37Å; R338-F354 CarbonylContact C-O 3.51Å; R338-F354 VanDerWaalsContact CA-O 3.27Å; R338-F354 WeakPolarHBondContact CA-O 3.24Å; R338-N355 PolarHBondContact NE-O 3.23Å; R338-I357 HydrophobicContact CB-CD1 4.05Å; R338-I357 HydrophobicContact CB-CG1 4.07Å; R338-I357 HydrophobicContact CB-CG2 4.27Å
339	Y	96.3	Very high	97.3	Very high	12 Å²	12	47.7 Å²	47.7	5%	0.047	28%	0.281	C	S	.	.			trans	-161.4	128.4	-176.9	-177.6	-100.2	0	0	0	110.8	N315 L316 A321 W337 G341 K342 L353 F354	N315-Y339 HydrophobicContact CB-CE2 4.18Å; L316-Y339 HydrophobicContact CB-CE2 4.49Å; A321-Y339 HydrophobicContact CB-CE2 4.27Å; A321-Y339 WeakPolarHBondContact CB-OH 3.33Å; W337-Y339 AromaticContact CE2-CD2 3.98Å; W337-Y339 AromaticContact CZ2-CD2 3.79Å; W337-Y339 HydrophobicContact CZ2-CD2 3.79Å; W337-Y339 HydrophobicContact CZ2-CE2 4.24Å; W337-Y339 HydrophobicContact CZ2-CG 4.17Å; W337-Y339 PolarHBondContact O-N 2.93Å; Y339-G341 VanDerWaalsContact CE1-CA 3.43Å; Y339-G341 WeakPolarHBondContact CE1-O 3.1Å; Y339-K342 VanDerWaalsContact CE1-O 3.22Å; Y339-K342 WeakPolarHBondContact CE1-O 3.23Å; Y339-K342 PolarHBondContact OH-O 2.88Å; Y339-K342 VanDerWaalsContact OH-O 3.06Å; Y339-L353 HydrophobicContact CD1-CD1 4.11Å; Y339-L353 HydrophobicContact CD1-CD2 4.38Å; Y339-F354 PolarHBondContact N-O 3.42Å
340	S	92.6	Very high	97.2	Very high	50 Å²	50	46.4 Å²	46.4	35%	0.35	27%	0.268	S	S	.	.			trans	-115.5	10.5	-178.8	-63.9	0	0	0	0	113.2	K314 N355	K314-S340 PolarHBondContact O-N 3.44Å; S340-N355 WeakPolarHBondContact OG-CA 3.23Å; S340-N355 PolarHBondContact OG-OD1 3.44Å
341	G	91.9	Very high	97.3	Very high	20 Å²	20	41.8 Å²	41.8	21%	0.206	25%	0.247	C	C	.	.	S	Bend	trans	-82.6	-174.9	175.9	0	0	0	0	0	113.4	N315 Y339 K343	N315-G341 VanDerWaalsContact CB-CA 3.44Å; Y339-G341 VanDerWaalsContact CE1-CA 3.43Å; Y339-G341 WeakPolarHBondContact CE1-O 3.1Å; G341-K343 PolarHBondContact O-N 3.3Å
342	K	95.3	Very high	97.2	Very high	133 Å²	133	46.6 Å²	46.6	58%	0.578	27%	0.265	S	S	*	.	S	Bend	trans	-59.4	129.9	171.3	-172.9	-169.8	-177.2	-172.8	0	109.8	E318 Y339	E318-K342 VanDerWaalsContact CD-CD 3.48Å; E318-K342 HydrophobicContact CG-CD 4.24Å; E318-K342 WeakPolarHBondContact OE1-CD 3.2Å; E318-K342 IonicContact OE1-NZ 3Å; E318-K342 PolarHBondContact OE1-NZ 3.29Å; E318-K342 IonicContact OE2-NZ 3.18Å; E318-K342 PolarHBondContact OE2-NZ 2.85Å; Y339-K342 VanDerWaalsContact CE1-O 3.22Å; Y339-K342 WeakPolarHBondContact CE1-O 3.23Å; Y339-K342 PolarHBondContact OH-O 2.88Å; Y339-K342 VanDerWaalsContact OH-O 3.06Å
343	K	97	Very high	97.2	Very high	148 Å²	148	45.4 Å²	45.4	64%	0.643	25%	0.254	S	S	*	.	P	Polyproline II helix	trans	-52.4	125.2	178.6	-178.7	-178.6	176.3	-177.3	0	110.2	G341 L347 L353	G341-K343 PolarHBondContact O-N 3.3Å; K343-L347 HydrophobicContact CD-CD2 4.46Å; K343-L347 HydrophobicContact CG-CD2 4.16Å; K343-L353 HydrophobicContact CB-CD1 4.31Å; K343-L353 HydrophobicContact CG-CD1 4.04Å
344	P	97.6	Very high	97.1	Very high	7 Å²	7	46.9 Å²	46.9	5%	0.045	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-60.3	140.1	176.2	-23	34.3	0	0	0	111.7	A321 N322 A325 W337 T346 L347	A321-P344 HydrophobicContact CB-CG 4Å; N322-P344 WeakPolarHBondContact OD1-CA 3.35Å; N322-P344 WeakPolarHBondContact OD1-CB 3.3Å; A325-P344 HydrophobicContact CB-CB 3.56Å; A325-P344 HydrophobicContact CB-CG 4.03Å; W337-P344 HydrophobicContact CH2-CG 4.15Å; W337-P344 HydrophobicContact CZ3-CG 4.06Å; P344-T346 VanDerWaalsContact C-N 3.27Å; P344-T346 PolarHBondContact O-N 3.45Å; P344-L347 HydrophobicContact CB-CB 4.39Å; P344-L347 HydrophobicContact CG-CD1 4.5Å; P344-L347 WeakPolarHBondContact O-CB 3.22Å; P344-L347 PolarHBondContact O-N 3.27Å
345	A	97.7	Very high	96.8	Very high	97 Å²	97	50.3 Å²	50.3	80%	0.802	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-29.7	177.1	0	0	0	0	0	112.2	N322 L347	N322-A345 PolarHBondContact OD1-N 3.41Å; A345-L347 VanDerWaalsContact C-N 3.34Å
346	T	97.9	Very high	96.5	Very high	57 Å²	57	57.2 Å²	57.2	35%	0.35	31%	0.307	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	15.5	-179.5	54.8	0	0	0	0	113.4	N322 A325 S326 P344 G348	N322-T346 WeakPolarHBondContact CA-OG1 3.44Å; N322-T346 PolarHBondContact O-OG1 2.84Å; N322-T346 PolarHBondContact OD1-N 3.45Å; A325-T346 WeakPolarHBondContact CB-OG1 3.49Å; S326-T346 WeakPolarHBondContact OG-CB 3.3Å; S326-T346 WeakPolarHBondContact OG-CG2 3.43Å; S326-T346 PolarHBondContact OG-OG1 3.1Å; P344-T346 VanDerWaalsContact C-N 3.27Å; P344-T346 PolarHBondContact O-N 3.45Å; T346-G348 PolarHBondContact O-N 3.49Å
347	L	98.2	Very high	96.4	Very high	35 Å²	35	57.5 Å²	57.5	18%	0.183	31%	0.309	C	S	.	.			trans	-66.1	114.3	-179.1	-166.8	78.5	0	0	0	111.8	A325 W337 K343 P344 A345 T351 L353	A325-L347 HydrophobicContact CB-CD1 4.25Å; W337-L347 HydrophobicContact CE3-CD1 4.25Å; W337-L347 HydrophobicContact CZ3-CD1 4.25Å; K343-L347 HydrophobicContact CD-CD2 4.46Å; K343-L347 HydrophobicContact CG-CD2 4.16Å; P344-L347 HydrophobicContact CB-CB 4.39Å; P344-L347 HydrophobicContact CG-CD1 4.5Å; P344-L347 WeakPolarHBondContact O-CB 3.22Å; P344-L347 PolarHBondContact O-N 3.27Å; A345-L347 VanDerWaalsContact C-N 3.34Å; L347-T351 HydrophobicContact CD1-CG2 3.66Å; L347-L353 HydrophobicContact CD1-CD2 3.94Å; L347-L353 HydrophobicContact CD1-CG 4.38Å; L347-L353 HydrophobicContact CD2-CD1 4Å; L347-L353 HydrophobicContact CD2-CD2 4.41Å; L347-L353 HydrophobicContact CD2-CG 3.94Å
348	G	97.6	Very high	96.3	Very high	16 Å²	16	59.1 Å²	59.1	17%	0.165	32%	0.32	C	S	.	.			trans	-68.8	156	175.6	0	0	0	0	0	113.8	T346 N350 T351	T346-G348 PolarHBondContact O-N 3.49Å; G348-N350 PolarHBondContact O-N 3.33Å; G348-T351 PolarHBondContact O-N 2.87Å; G348-T351 VanDerWaalsContact O-N 3.09Å
349	S	96.8	Very high	96.3	Very high	120 Å²	120	60 Å²	60	84%	0.839	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-13	178.7	61.6	0	0	0	0	114.1	T351	S349-T351 VanDerWaalsContact C-N 3.34Å
350	N	98.2	Very high	96.3	Very high	15 Å²	15	60.4 Å²	60.4	8%	0.08	33%	0.327	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-9.3	173.6	70.8	-47.8	0	0	0	113.2	F295 L328 I331 Q333 K334 V335 G348	F295-N350 WeakPolarHBondContact CZ-O 3.44Å; L328-N350 PolarHBondContact O-ND2 3.1Å; I331-N350 PolarHBondContact O-ND2 2.98Å; Q333-N350 PolarHBondContact O-ND2 2.91Å; K334-N350 CarbonylContact C-O 3.54Å; K334-N350 VanDerWaalsContact CA-O 3.29Å; K334-N350 WeakPolarHBondContact CA-O 3.45Å; K334-N350 HydrophobicContact CD-CB 4.21Å; V335-N350 PolarHBondContact N-O 2.92Å; G348-N350 PolarHBondContact O-N 3.33Å
351	T	98.5	Very high	96.6	Very high	9 Å²	9	59.5 Å²	59.5	6%	0.055	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.5	131.5	-176.7	-56.7	0	0	0	0	111.5	L328 V335 W337 L347 G348 S349	L328-T351 HydrophobicContact CD1-CG2 4.47Å; V335-T351 HydrophobicContact CB-CG2 3.93Å; V335-T351 HydrophobicContact CG1-CG2 4.15Å; V335-T351 WeakPolarHBondContact O-CA 3.26Å; W337-T351 HydrophobicContact CB-CG2 4.22Å; W337-T351 HydrophobicContact CE3-CG2 4.17Å; L347-T351 HydrophobicContact CD1-CG2 3.66Å; G348-T351 PolarHBondContact O-N 2.87Å; G348-T351 VanDerWaalsContact O-N 3.09Å; S349-T351 VanDerWaalsContact C-N 3.34Å
352	R	98.2	Very high	96.9	Very high	109 Å²	109	58.5 Å²	58.5	41%	0.411	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	137.1	170.6	-76.3	-174.4	-173.1	-178.2	8.5	110.7	E291 F295 V335 W337 F354	E291-R352 PolarHBondContact O-NH1 2.87Å; F295-R352 HydrophobicContact CD1-CB 4.38Å; F295-R352 HydrophobicContact CD1-CG 4.25Å; F295-R352 HydrophobicContact CD2-CG 4.15Å; F295-R352 HydrophobicContact CE1-CB 3.84Å; F295-R352 HydrophobicContact CE1-CG 3.82Å; F295-R352 HydrophobicContact CE2-CG 3.69Å; F295-R352 HydrophobicContact CG-CG 4.38Å; F295-R352 HydrophobicContact CZ-CB 3.93Å; F295-R352 HydrophobicContact CZ-CG 3.5Å; F295-R352 VanDerWaalsContact CZ-CG 3.5Å; V335-R352 PolarHBondContact O-N 3.48Å; W337-R352 PolarHBondContact N-O 3.38Å; R352-F354 HydrophobicContact CB-CD2 4.49Å; R352-F354 HydrophobicContact CB-CE2 3.67Å; R352-F354 HydrophobicContact CB-CZ 4.1Å
353	L	97.9	Very high	97.1	Very high	50 Å²	50	52.2 Å²	52.2	26%	0.262	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	140	178.1	-55.1	179.7	0	0	0	110.3	W337 Y339 K343 L347	W337-L353 HydrophobicContact CB-CD2 4.03Å; W337-L353 HydrophobicContact CD2-CD2 3.82Å; W337-L353 HydrophobicContact CE3-CD2 3.53Å; W337-L353 HydrophobicContact CG-CD2 4.07Å; W337-L353 HydrophobicContact CZ3-CD2 4.28Å; W337-L353 CarbonylContact O-C 3.58Å; W337-L353 WeakPolarHBondContact O-CA 3.13Å; Y339-L353 HydrophobicContact CD1-CD1 4.11Å; Y339-L353 HydrophobicContact CD1-CD2 4.38Å; K343-L353 HydrophobicContact CB-CD1 4.31Å; K343-L353 HydrophobicContact CG-CD1 4.04Å; L347-L353 HydrophobicContact CD1-CD2 3.94Å; L347-L353 HydrophobicContact CD1-CG 4.38Å; L347-L353 HydrophobicContact CD2-CD1 4Å; L347-L353 HydrophobicContact CD2-CD2 4.41Å; L347-L353 HydrophobicContact CD2-CG 3.94Å
354	F	95.9	Very high	97.1	Very high	46 Å²	46	46 Å²	46	20%	0.202	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	142.1	177.4	-63.8	-89.9	0	0	0	110.4	M292 L336 W337 R338 Y339 R352 W356 I357	M292-F354 HydrophobicContact CE-CD1 3.87Å; M292-F354 HydrophobicContact CE-CE1 3.56Å; M292-F354 HydrophobicContact CE-CE2 4.41Å; M292-F354 HydrophobicContact CE-CG 4.41Å; M292-F354 HydrophobicContact CE-CZ 3.86Å; L336-F354 HydrophobicContact CB-CD2 4.42Å; L336-F354 HydrophobicContact CB-CE2 4.11Å; L336-F354 HydrophobicContact CD2-CE2 3.82Å; L336-F354 HydrophobicContact CD2-CZ 4.16Å; L336-F354 HydrophobicContact CG-CE2 4.01Å; W337-F354 PolarHBondContact O-N 2.94Å; R338-F354 CarbonylContact C-O 3.51Å; R338-F354 VanDerWaalsContact CA-O 3.27Å; R338-F354 WeakPolarHBondContact CA-O 3.24Å; Y339-F354 PolarHBondContact N-O 3.42Å; R352-F354 HydrophobicContact CB-CD2 4.49Å; R352-F354 HydrophobicContact CB-CE2 3.67Å; R352-F354 HydrophobicContact CB-CZ 4.1Å; F354-W356 VanDerWaalsContact C-N 3.29Å; F354-W356 PolarHBondContact O-N 3.4Å; F354-I357 HydrophobicContact CB-CG2 3.55Å; F354-I357 HydrophobicContact CD2-CG2 3.97Å; F354-I357 HydrophobicContact CG-CG2 3.87Å
355	N	92.3	Very high	97.2	Very high	117 Å²	117	46.9 Å²	46.9	63%	0.626	26%	0.262	S	S	*	.	S	Bend	trans	-66.6	-36.4	172.2	-74.3	-32.4	0	0	0	112	R338 S340	R338-N355 PolarHBondContact NE-O 3.23Å; S340-N355 WeakPolarHBondContact OG-CA 3.23Å; S340-N355 PolarHBondContact OG-OD1 3.44Å
356	W	93	Very high	97.1	Very high	145 Å²	145	47.9 Å²	47.9	55%	0.549	26%	0.26	S	S	.	.	S	Bend	trans	-146.1	147.6	176	-163.8	-102.3	0	0	0	109.9	F354	F354-W356 VanDerWaalsContact C-N 3.29Å; F354-W356 PolarHBondContact O-N 3.4Å
357	I	95.6	Very high	97.2	Very high	5 Å²	5	47.1 Å²	47.1	3%	0.026	25%	0.252	C	S	.	.			trans	-126.9	146	178.5	61.6	176.4	0	0	0	110.1	V306 R338 F354 Q359 L362	V306-I357 HydrophobicContact CG1-CD1 3.65Å; R338-I357 HydrophobicContact CB-CD1 4.05Å; R338-I357 HydrophobicContact CB-CG1 4.07Å; R338-I357 HydrophobicContact CB-CG2 4.27Å; F354-I357 HydrophobicContact CB-CG2 3.55Å; F354-I357 HydrophobicContact CD2-CG2 3.97Å; F354-I357 HydrophobicContact CG-CG2 3.87Å; I357-Q359 HydrophobicContact CD1-CB 4.48Å; I357-Q359 HydrophobicContact CG1-CB 4.24Å; I357-Q359 PolarHBondContact O-N 3.36Å; I357-L362 HydrophobicContact CB-CD1 3.82Å; I357-L362 HydrophobicContact CD1-CD1 4.14Å; I357-L362 HydrophobicContact CG1-CD1 4.36Å; I357-L362 HydrophobicContact CG2-CD1 4.39Å
358	P	95.9	Very high	97.2	Very high	36 Å²	36	45.7 Å²	45.7	23%	0.234	25%	0.245	C	C	.	.			trans	-73.7	74.9	169.1	32.7	-34.1	0	0	0	109.3	L288 M292 N360 D361 L362	L288-P358 HydrophobicContact CD2-CG 3.9Å; M292-P358 HydrophobicContact CE-CG 4.36Å; M292-P358 HydrophobicContact SD-CG 3.74Å; P358-N360 PolarHBondContact O-N 3.26Å; P358-D361 HydrophobicContact CB-CB 4.16Å; P358-D361 PolarHBondContact O-N 3.48Å; P358-D361 VanDerWaalsContact O-N 3.08Å; P358-L362 HydrophobicContact CG-CD1 4.46Å; P358-L362 HydrophobicContact CG-CG 4.38Å; P358-L362 PolarHBondContact O-N 2.93Å
359	Q	97.4	Very high	97.3	Very high	32 Å²	32	49 Å²	49	15%	0.15	26%	0.255	C	S	.	.	H	α-helix	trans	-56.5	-48	-168	-172.1	177	-82.9	0	0	112.7	S308 I357 D361 L362 L363 F371 E382	S308-Q359 PolarHBondContact OG-OE1 2.9Å; S308-Q359 VanDerWaalsContact OG-OE1 3.06Å; I357-Q359 HydrophobicContact CD1-CB 4.48Å; I357-Q359 HydrophobicContact CG1-CB 4.24Å; I357-Q359 PolarHBondContact O-N 3.36Å; Q359-D361 VanDerWaalsContact C-N 3.29Å; Q359-D361 PolarHBondContact O-N 3.47Å; Q359-L362 PolarHBondContact O-N 3.29Å; Q359-L363 HydrophobicContact CG-CD1 3.9Å; Q359-L363 HydrophobicContact CG-CG 4.3Å; Q359-L363 WeakPolarHBondContact O-CB 3.3Å; Q359-L363 VanDerWaalsContact O-CG 3.25Å; Q359-L363 WeakPolarHBondContact O-CG 3.36Å; Q359-L363 PolarHBondContact O-N 3.05Å; Q359-F371 HydrophobicContact CG-CZ 4.32Å; Q359-E382 WeakPolarHBondContact CG-OE2 3.11Å; Q359-E382 PolarHBondContact NE2-OE2 2.81Å
360	N	97.1	Very high	97.3	Very high	21 Å²	21	43.2 Å²	43.2	11%	0.112	22%	0.215	C	C	.	.	H	α-helix	trans	-54.6	-45.6	176.1	177.4	81.1	0	0	0	112.2	K283 P358 L363 G364 H386	K283-N360 PolarHBondContact N-OD1 3.16Å; K283-N360 PolarHBondContact O-ND2 3.39Å; K283-N360 PolarHBondContact O-OD1 2.92Å; P358-N360 PolarHBondContact O-N 3.26Å; N360-L363 PolarHBondContact O-N 3.31Å; N360-G364 PolarHBondContact O-N 3.12Å; N360-H386 PolarHBondContact O-NE2 3.1Å; N360-H386 VanDerWaalsContact O-NE2 3.13Å; N360-H386 PolarHBondContact OD1-NE2 3.42Å; N360-H386 VanDerWaalsContact OD1-NE2 3.14Å
361	D	98.1	Very high	97.4	Very high	31 Å²	31	42.5 Å²	42.5	17%	0.166	21%	0.211	C	C	.	.	H	α-helix	trans	-71.8	-40	-175.2	-56.2	-40.4	0	0	0	111.4	S285 K286 L288 P358 Q359 G364 H365	S285-D361 WeakPolarHBondContact CA-OD1 3.4Å; K286-D361 PolarHBondContact N-OD1 2.92Å; L288-D361 HydrophobicContact CD2-CB 3.74Å; P358-D361 HydrophobicContact CB-CB 4.16Å; P358-D361 PolarHBondContact O-N 3.48Å; P358-D361 VanDerWaalsContact O-N 3.08Å; Q359-D361 VanDerWaalsContact C-N 3.29Å; Q359-D361 PolarHBondContact O-N 3.47Å; D361-G364 CarbonylContact O-C 3.53Å; D361-G364 PolarHBondContact O-N 3Å; D361-H365 PolarHBondContact O-N 3.22Å; D361-H365 VanDerWaalsContact O-N 3.1Å
362	L	98.6	Very high	97.4	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-63.4	-44	172.4	-74.9	168.2	0	0	0	111.8	L288 M292 V296 I304 V306 L336 I357 P358 Q359 G364 H365 T368	L288-L362 HydrophobicContact CD1-CD2 3.62Å; L288-L362 HydrophobicContact CD2-CD2 4.01Å; L288-L362 HydrophobicContact CD2-CG 4.05Å; M292-L362 HydrophobicContact CG-CD2 4.39Å; M292-L362 HydrophobicContact SD-CD1 4.08Å; M292-L362 HydrophobicContact SD-CD2 3.92Å; M292-L362 HydrophobicContact SD-CG 4.18Å; V296-L362 HydrophobicContact CG2-CD2 4.21Å; I304-L362 HydrophobicContact CD1-CD2 4.1Å; V306-L362 HydrophobicContact CG1-CB 4.49Å; V306-L362 HydrophobicContact CG1-CD1 4.46Å; V306-L362 HydrophobicContact CG2-CB 3.77Å; L336-L362 HydrophobicContact CB-CD1 4.43Å; L336-L362 HydrophobicContact CD1-CD2 4.44Å; L336-L362 HydrophobicContact CD2-CD1 4.05Å; L336-L362 HydrophobicContact CD2-CD2 3.71Å; I357-L362 HydrophobicContact CB-CD1 3.82Å; I357-L362 HydrophobicContact CD1-CD1 4.14Å; I357-L362 HydrophobicContact CG1-CD1 4.36Å; I357-L362 HydrophobicContact CG2-CD1 4.39Å; P358-L362 HydrophobicContact CG-CD1 4.46Å; P358-L362 HydrophobicContact CG-CG 4.38Å; P358-L362 PolarHBondContact O-N 2.93Å; Q359-L362 PolarHBondContact O-N 3.29Å; L362-G364 VanDerWaalsContact C-N 3.27Å; L362-G364 PolarHBondContact O-N 3.04Å; L362-H365 VanDerWaalsContact O-CB 3.27Å; L362-H365 WeakPolarHBondContact O-CB 3.46Å; L362-H365 PolarHBondContact O-N 2.89Å; L362-H365 VanDerWaalsContact O-N 3.09Å; L362-T368 PolarHBondContact O-OG1 2.67Å
363	L	98.7	Very high	97.4	Very high	1 Å²	1	36.9 Å²	36.9	1%	0.005	19%	0.189	C	C	.	.	H	α-helix	trans	-64.2	-35.1	177.8	-69.7	176.7	0	0	0	111.9	V306 Q359 N360 H365 T368 F371 E382 A383 H386 I388	V306-L363 HydrophobicContact CB-CD2 4.19Å; V306-L363 HydrophobicContact CG2-CD2 4.23Å; Q359-L363 HydrophobicContact CG-CD1 3.9Å; Q359-L363 HydrophobicContact CG-CG 4.3Å; Q359-L363 WeakPolarHBondContact O-CB 3.3Å; Q359-L363 VanDerWaalsContact O-CG 3.25Å; Q359-L363 WeakPolarHBondContact O-CG 3.36Å; Q359-L363 PolarHBondContact O-N 3.05Å; N360-L363 PolarHBondContact O-N 3.31Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 3.35Å; L363-T368 HydrophobicContact CD2-CG2 4.35Å; L363-F371 HydrophobicContact CD1-CD1 4.24Å; L363-F371 HydrophobicContact CD1-CE1 4.25Å; L363-F371 HydrophobicContact CD2-CB 3.71Å; L363-F371 HydrophobicContact CD2-CD1 4.16Å; L363-F371 HydrophobicContact CD2-CD2 4.03Å; L363-F371 HydrophobicContact CD2-CG 3.73Å; L363-E382 HydrophobicContact CD1-CB 3.69Å; L363-A383 HydrophobicContact CD1-CB 4.43Å; L363-H386 HydrophobicContact CB-CB 4.37Å; L363-H386 WeakPolarHBondContact O-CB 3.28Å; L363-I388 HydrophobicContact CB-CG1 4.46Å; L363-I388 HydrophobicContact CD2-CB 4.45Å; L363-I388 HydrophobicContact CD2-CG1 4.38Å; L363-I388 HydrophobicContact CD2-CG2 4.22Å; L363-I388 WeakPolarHBondContact O-CD1 3.44Å; L363-I388 WeakPolarHBondContact O-CG1 3.21Å
364	G	98.3	Very high	97.4	Very high	16 Å²	16	35.6 Å²	35.6	17%	0.165	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	5.7	173.7	0	0	0	0	0	115.2	S285 N360 D361 L362 H386	S285-G364 PolarHBondContact OG-O 3.3Å; S285-G364 VanDerWaalsContact OG-O 3.07Å; N360-G364 PolarHBondContact O-N 3.12Å; D361-G364 CarbonylContact O-C 3.53Å; D361-G364 PolarHBondContact O-N 3Å; L362-G364 VanDerWaalsContact C-N 3.27Å; L362-G364 PolarHBondContact O-N 3.04Å; G364-H386 VanDerWaalsContact CA-CE1 3.49Å; G364-H386 WeakPolarHBondContact CA-CE1 3.42Å; G364-H386 VanDerWaalsContact CA-CG 3.4Å; G364-H386 WeakPolarHBondContact CA-ND1 3.47Å
365	H	98.5	Very high	97.4	Very high	26 Å²	26	33.4 Å²	33.4	12%	0.12	17%	0.172	C	C	.	.	S	Bend	trans	-77.7	135.1	176.4	-166.7	-90.7	0	0	0	110.9	E293 V296 E297 D361 L362 L363 K367 T368	E293-H365 IonicContact OE1-NE2 2.85Å; E293-H365 PolarHBondContact OE1-NE2 2.76Å; E293-H365 IonicContact OE2-NE2 3.72Å; V296-H365 WeakPolarHBondContact CG1-CE1 3.34Å; V296-H365 WeakPolarHBondContact CG1-ND1 3.32Å; E297-H365 IonicContact OE1-CE1 2.76Å; D361-H365 PolarHBondContact O-N 3.22Å; D361-H365 VanDerWaalsContact O-N 3.1Å; L362-H365 VanDerWaalsContact O-CB 3.27Å; L362-H365 WeakPolarHBondContact O-CB 3.46Å; L362-H365 PolarHBondContact O-N 2.89Å; L362-H365 VanDerWaalsContact O-N 3.09Å; L363-H365 VanDerWaalsContact C-N 3.27Å; L363-H365 PolarHBondContact O-N 3.35Å; H365-K367 WeakPolarHBondContact ND1-CB 3.46Å; H365-K367 PolarHBondContact ND1-N 3.26Å; H365-K367 VanDerWaalsContact ND1-N 3.19Å; H365-K367 PolarHBondContact O-N 3.37Å; H365-T368 WeakPolarHBondContact O-CB 3.33Å; H365-T368 PolarHBondContact O-N 3Å; H365-T368 PolarHBondContact O-OG1 3.49Å
366	P	97.5	Very high	97.6	Very high	118 Å²	118	28.3 Å²	28.3	77%	0.766	15%	0.147	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-25.4	-177.4	-27.2	35.1	0	0	0	115.2	T368	P366-T368 VanDerWaalsContact C-N 3.33Å
367	K	98.4	Very high	97.7	Very high	41 Å²	41	22 Å²	22	18%	0.178	12%	0.124	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-6.4	177.8	-65.5	-160.5	177.9	-164.4	0	114.4	V296 E297 S299 G300 G303 I304 H365 K369	V296-K367 HydrophobicContact CG1-CB 4.2Å; V296-K367 HydrophobicContact CG1-CD 4.35Å; E297-K367 PolarHBondContact O-NZ 2.93Å; E297-K367 WeakPolarHBondContact OE1-CE 3.42Å; E297-K367 IonicContact OE1-NZ 2.74Å; E297-K367 WeakPolarHBondContact OE2-CE 3.28Å; E297-K367 IonicContact OE2-NZ 3.65Å; E297-K367 PolarHBondContact OE2-NZ 2.58Å; S299-K367 WeakPolarHBondContact OG-CD 3.34Å; G300-K367 PolarHBondContact O-NZ 3.1Å; G303-K367 CarbonylContact C-O 3.59Å; G303-K367 VanDerWaalsContact CA-O 3.25Å; G303-K367 WeakPolarHBondContact CA-O 3.36Å; I304-K367 PolarHBondContact N-O 3.24Å; H365-K367 WeakPolarHBondContact ND1-CB 3.46Å; H365-K367 PolarHBondContact ND1-N 3.26Å; H365-K367 VanDerWaalsContact ND1-N 3.19Å; H365-K367 PolarHBondContact O-N 3.37Å; K367-K369 PolarHBondContact O-N 3.13Å
368	T	98.8	Very high	97.6	Very high	6 Å²	6	23.3 Å²	23.3	4%	0.037	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	122.2	-177.1	-63	0	0	0	0	111.6	I304 V306 L362 L363 H365 P366 I388	I304-T368 WeakPolarHBondContact CD1-OG1 3.37Å; I304-T368 WeakPolarHBondContact CG1-OG1 3.38Å; V306-T368 HydrophobicContact CG2-CG2 4.11Å; L362-T368 PolarHBondContact O-OG1 2.67Å; L363-T368 HydrophobicContact CD2-CG2 4.35Å; H365-T368 WeakPolarHBondContact O-CB 3.33Å; H365-T368 PolarHBondContact O-N 3Å; H365-T368 PolarHBondContact O-OG1 3.49Å; P366-T368 VanDerWaalsContact C-N 3.33Å; T368-I388 HydrophobicContact CG2-CD1 3.94Å; T368-I388 HydrophobicContact CG2-CG1 4.12Å; T368-I388 HydrophobicContact CG2-CG2 3.95Å
369	K	98.7	Very high	97.6	Very high	84 Å²	84	21.8 Å²	21.8	37%	0.365	12%	0.122	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-39	-178.3	-58.9	-56.4	-175	176.8	0	112.5	H302 I304 K367 I433	H302-K369 WeakPolarHBondContact O-CG 3.48Å; I304-K369 PolarHBondContact O-N 3.2Å; K367-K369 PolarHBondContact O-N 3.13Å; K369-I433 HydrophobicContact CB-CG1 4.3Å; K369-I433 HydrophobicContact CB-CG2 4.4Å
370	A	98.8	Very high	97.7	Very high	0 Å²	0	20.3 Å²	20.3	0%	0	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.6	156.2	-175.7	0	0	0	0	0	112	V305 V306 P389 I432 I433	V305-A370 HydrophobicContact CG2-CB 4.38Å; V306-A370 PolarHBondContact N-O 3.32Å; V306-A370 VanDerWaalsContact N-O 3.14Å; A370-P389 WeakPolarHBondContact CA-O 3.47Å; A370-I432 HydrophobicContact CB-CG2 3.68Å; A370-I433 HydrophobicContact CB-CD1 4.41Å; A370-I433 HydrophobicContact CB-CG1 3.89Å
371	F	98.9	Very high	97.7	Very high	0 Å²	0	19.3 Å²	19.3	0%	0	11%	0.109	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	118.9	172.6	-179.4	-147.7	0	0	0	110.9	V306 Q359 L363 T373 A383 I388 P389 M390 V391	V306-F371 HydrophobicContact CB-CD2 4.01Å; V306-F371 HydrophobicContact CG1-CD2 4.05Å; V306-F371 HydrophobicContact CG1-CE2 4.14Å; V306-F371 WeakPolarHBondContact O-CA 3.5Å; V306-F371 WeakPolarHBondContact O-CD2 3.17Å; Q359-F371 HydrophobicContact CG-CZ 4.32Å; L363-F371 HydrophobicContact CD1-CD1 4.24Å; L363-F371 HydrophobicContact CD1-CE1 4.25Å; L363-F371 HydrophobicContact CD2-CB 3.71Å; L363-F371 HydrophobicContact CD2-CD1 4.16Å; L363-F371 HydrophobicContact CD2-CD2 4.03Å; L363-F371 HydrophobicContact CD2-CG 3.73Å; F371-T373 HydrophobicContact CD1-CG2 4.04Å; F371-T373 VanDerWaalsContact CE1-CB 3.41Å; F371-T373 HydrophobicContact CE1-CG2 4.09Å; F371-A383 HydrophobicContact CD1-CB 3.91Å; F371-I388 HydrophobicContact CB-CG2 3.93Å; F371-P389 PolarHBondContact N-O 2.64Å; F371-M390 HydrophobicContact CB-CG 4.04Å; F371-M390 HydrophobicContact CD1-CG 4.01Å; F371-M390 HydrophobicContact CD1-SD 4.35Å; F371-M390 HydrophobicContact CG-CG 4.45Å; F371-M390 CarbonylContact O-C 3.56Å; F371-M390 VanDerWaalsContact O-CA 3.22Å; F371-M390 WeakPolarHBondContact O-CA 3.31Å; F371-V391 PolarHBondContact O-N 2.9Å
372	I	98.8	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.3	121.3	167.5	-53.3	174.1	0	0	0	107.6	V305 V306 F307 S308 L328 V391 I393 L429	V305-I372 HydrophobicContact CG1-CD1 3.79Å; V305-I372 HydrophobicContact CG1-CG1 3.77Å; V306-I372 PolarHBondContact O-N 3.18Å; F307-I372 WeakPolarHBondContact CA-O 3.17Å; F307-I372 HydrophobicContact CB-CB 3.99Å; F307-I372 HydrophobicContact CB-CD1 4.27Å; F307-I372 HydrophobicContact CD1-CD1 4.41Å; F307-I372 HydrophobicContact CD2-CB 3.5Å; F307-I372 VanDerWaalsContact CD2-CB 3.5Å; F307-I372 HydrophobicContact CD2-CG2 3.35Å; F307-I372 WeakPolarHBondContact CD2-O 3.42Å; F307-I372 HydrophobicContact CE2-CB 4.19Å; F307-I372 HydrophobicContact CE2-CG2 3.5Å; F307-I372 VanDerWaalsContact CE2-CG2 3.5Å; F307-I372 HydrophobicContact CG-CB 3.83Å; F307-I372 HydrophobicContact CG-CD1 4.19Å; F307-I372 HydrophobicContact CG-CG2 3.98Å; F307-I372 HydrophobicContact CZ-CG2 4.22Å; S308-I372 PolarHBondContact N-O 3.12Å; L328-I372 HydrophobicContact CD2-CD1 3.65Å; I372-V391 WeakPolarHBondContact CA-O 3.27Å; I372-V391 HydrophobicContact CG1-CB 4.44Å; I372-I393 HydrophobicContact CG2-CD1 3.5Å; I372-I393 VanDerWaalsContact CG2-CD1 3.5Å; I372-I393 HydrophobicContact CG2-CG1 4.08Å; I372-L429 HydrophobicContact CD1-CD1 3.99Å; I372-L429 HydrophobicContact CD1-CD2 3.83Å; I372-L429 HydrophobicContact CD1-CG 4.39Å; I372-L429 HydrophobicContact CG1-CD2 3.82Å
373	T	98.5	Very high	97.7	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.107	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	146.3	-170.7	-177.1	0	0	0	0	112.8	S308 F371 G375 M390 V391 G392 I393 I403	S308-T373 WeakPolarHBondContact O-CA 3.24Å; F371-T373 HydrophobicContact CD1-CG2 4.04Å; F371-T373 VanDerWaalsContact CE1-CB 3.41Å; F371-T373 HydrophobicContact CE1-CG2 4.09Å; T373-G375 PolarHBondContact O-N 3.09Å; T373-G375 PolarHBondContact OG1-N 3.37Å; T373-M390 HydrophobicContact CG2-CB 4.18Å; T373-M390 HydrophobicContact CG2-CG 4.09Å; T373-M390 HydrophobicContact CG2-SD 4.11Å; T373-V391 PolarHBondContact N-O 3.42Å; T373-G392 CarbonylContact O-C 3.55Å; T373-G392 WeakPolarHBondContact O-CA 3.25Å; T373-I393 PolarHBondContact O-N 3.39Å; T373-I403 HydrophobicContact CG2-CD1 4.3Å
374	H	97.1	Very high	97.7	Very high	23 Å²	23	19.2 Å²	19.2	11%	0.106	11%	0.108	C	C	.	.			trans	-65.3	-13.4	165.2	70	-48	0	0	0	113.9	S308 L309 G376 I393 P394 I395 Q399	S308-H374 PolarHBondContact O-N 3.42Å; L309-H374 HydrophobicContact CB-CB 4.27Å; L309-H374 HydrophobicContact CD2-CB 3.83Å; L309-H374 PolarHBondContact O-CD2 3.13Å; H374-G376 PolarHBondContact CE1-N 3.3Å; H374-G376 WeakPolarHBondContact NE2-CA 3.49Å; H374-G376 PolarHBondContact NE2-N 3.09Å; H374-I393 WeakPolarHBondContact CA-O 3.3Å; H374-P394 WeakPolarHBondContact O-CA 3.44Å; H374-I395 HydrophobicContact CB-CD1 4.1Å; H374-I395 HydrophobicContact CB-CG1 4.24Å; H374-Q399 PolarHBondContact CD2-NE2 2.92Å; H374-Q399 WeakPolarHBondContact O-CB 3.38Å; H374-Q399 WeakPolarHBondContact O-CG 3.33Å; H374-Q399 PolarHBondContact O-OE1 3.46Å
375	G	96.9	Very high	97.7	Very high	0 Å²	0	20.2 Å²	20.2	0%	0	11%	0.107	C	C	.	.			trans	84.9	19.1	-179.4	0	0	0	0	0	115.2	T373 I380 N402 I403	T373-G375 PolarHBondContact O-N 3.09Å; T373-G375 PolarHBondContact OG1-N 3.37Å; G375-I380 VanDerWaalsContact O-CD1 3.29Å; G375-I380 WeakPolarHBondContact O-CD1 3.46Å; G375-N402 WeakPolarHBondContact O-CB 3.32Å; G375-N402 PolarHBondContact O-ND2 3.25Å; G375-I403 VanDerWaalsContact CA-CD1 3.49Å
376	G	95.5	Very high	97.7	Very high	10 Å²	10	20.5 Å²	20.5	10%	0.103	11%	0.108	C	C	.	.			trans	-65.5	141.9	167.6	0	0	0	0	0	111.9	H374 N378 G379 I380	H374-G376 PolarHBondContact CE1-N 3.3Å; H374-G376 WeakPolarHBondContact NE2-CA 3.49Å; H374-G376 PolarHBondContact NE2-N 3.09Å; G376-N378 VanDerWaalsContact C-N 3.35Å; G376-N378 PolarHBondContact O-N 2.05Å; G376-G379 PolarHBondContact O-N 2.9Å; G376-I380 PolarHBondContact O-N 3.24Å; G376-I380 VanDerWaalsContact O-N 3.12Å
377	M	94.8	Very high	97.8	Very high	13 Å²	13	14.9 Å²	14.9	6%	0.064	7%	0.072	C	C	.	.	H	α-helix	trans	-58.1	-39.8	-169	-170.4	51.4	66.3	0	0	114.4	R173 T260 F264 G379 I380 Y381 N402	R173-M377 VanDerWaalsContact NE-CE 3.28Å; R173-M377 VanDerWaalsContact NH2-CE 3.32Å; T260-M377 HydrophobicContact CG2-CE 4.42Å; F264-M377 HydrophobicContact CD1-CE 3.73Å; F264-M377 HydrophobicContact CD1-SD 4.19Å; F264-M377 HydrophobicContact CD2-CE 4.42Å; F264-M377 HydrophobicContact CE1-CE 3.25Å; F264-M377 HydrophobicContact CE1-SD 4.27Å; F264-M377 HydrophobicContact CE2-CE 3.98Å; F264-M377 HydrophobicContact CG-CE 4.31Å; F264-M377 HydrophobicContact CG-SD 4.35Å; F264-M377 HydrophobicContact CZ-CE 3.39Å; F264-M377 HydrophobicContact CZ-SD 4.46Å; M377-G379 PolarHBondContact O-N 2.93Å; M377-I380 PolarHBondContact O-N 3.02Å; M377-I380 HydrophobicContact SD-CG2 4.42Å; M377-Y381 HydrophobicContact CG-CD2 3.79Å; M377-Y381 HydrophobicContact CG-CE2 3.65Å; M377-Y381 WeakPolarHBondContact O-CD2 3.42Å; M377-Y381 PolarHBondContact O-N 3.44Å; M377-Y381 HydrophobicContact SD-CD2 3.66Å; M377-Y381 HydrophobicContact SD-CE2 3.28Å; M377-Y381 WeakPolarHBondContact SD-CE2 3.36Å; M377-N402 WeakPolarHBondContact CE-OD1 3.38Å
378	N	94.6	Very high	97.8	Very high	31 Å²	31	13.1 Å²	13.1	17%	0.166	6%	0.064	C	C	.	.	H	α-helix	trans	-62	-47	-179.4	-68.4	-15.2	0	0	0	111.8	S34 H281 G376 I380 Y381 E382	S34-N378 PolarHBondContact O-ND2 3.38Å; H281-N378 WeakPolarHBondContact NE2-CA 3.38Å; H281-N378 PolarHBondContact NE2-O 2.9Å; G376-N378 VanDerWaalsContact C-N 3.35Å; G376-N378 PolarHBondContact O-N 2.05Å; N378-I380 VanDerWaalsContact C-N 3.3Å; N378-I380 PolarHBondContact O-N 3.5Å; N378-Y381 PolarHBondContact O-N 3.44Å; N378-E382 WeakPolarHBondContact O-CG 3.49Å; N378-E382 PolarHBondContact O-N 2.91Å; N378-E382 VanDerWaalsContact O-N 3.09Å
379	G	96.4	Very high	97.8	Very high	5 Å²	5	12.9 Å²	12.9	5%	0.052	6%	0.063	C	C	.	.	H	α-helix	trans	-67.7	-31.5	177.9	0	0	0	0	0	112.8	G376 M377 E382 A383	G376-G379 PolarHBondContact O-N 2.9Å; M377-G379 PolarHBondContact O-N 2.93Å; G379-E382 PolarHBondContact O-N 3.37Å; G379-A383 WeakPolarHBondContact O-CB 3.48Å; G379-A383 PolarHBondContact O-N 2.82Å
380	I	97.9	Very high	97.8	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-63	-48.1	172.9	-74.8	175.3	0	0	0	111	F264 G375 G376 M377 N378 E382 A383 I384 M390 N402 L406	F264-I380 HydrophobicContact CD2-CG2 3.91Å; F264-I380 HydrophobicContact CE2-CD1 4.42Å; F264-I380 HydrophobicContact CE2-CG2 4.25Å; G375-I380 VanDerWaalsContact O-CD1 3.29Å; G375-I380 WeakPolarHBondContact O-CD1 3.46Å; G376-I380 PolarHBondContact O-N 3.24Å; G376-I380 VanDerWaalsContact O-N 3.12Å; M377-I380 PolarHBondContact O-N 3.02Å; M377-I380 HydrophobicContact SD-CG2 4.42Å; N378-I380 VanDerWaalsContact C-N 3.3Å; N378-I380 PolarHBondContact O-N 3.5Å; I380-E382 VanDerWaalsContact C-N 3.34Å; I380-E382 PolarHBondContact O-N 2.84Å; I380-A383 PolarHBondContact O-N 3.35Å; I380-I384 HydrophobicContact CG2-CD1 3.74Å; I380-I384 HydrophobicContact CG2-CG1 4.33Å; I380-I384 WeakPolarHBondContact O-CG1 3.33Å; I380-I384 PolarHBondContact O-N 3.42Å; I380-M390 HydrophobicContact CG1-SD 4.23Å; I380-N402 HydrophobicContact CD1-CB 3.52Å; I380-L406 HydrophobicContact CB-CD1 4.32Å; I380-L406 HydrophobicContact CD1-CD1 3.66Å; I380-L406 HydrophobicContact CG1-CD1 3.7Å; I380-L406 HydrophobicContact CG2-CD1 3.79Å; I380-L406 HydrophobicContact CG2-CD2 4.29Å; I380-L406 HydrophobicContact CG2-CG 4.36Å
381	Y	98	Very high	97.8	Very high	1 Å²	1	9 Å²	9	0%	0.004	5%	0.046	C	C	.	.	H	α-helix	trans	-64.5	-37.6	178.3	-86.2	-65.5	0	0	0	112.5	T260 Y261 F264 C282 M377 N378 A383 I384 Y385 H449	T260-Y381 WeakPolarHBondContact CA-OH 3.13Å; Y261-Y381 PolarHBondContact N-OH 3.06Å; F264-Y381 HydrophobicContact CB-CE1 4.36Å; C282-Y381 PolarHBondContact SG-O 2.9Å; M377-Y381 HydrophobicContact CG-CD2 3.79Å; M377-Y381 HydrophobicContact CG-CE2 3.65Å; M377-Y381 WeakPolarHBondContact O-CD2 3.42Å; M377-Y381 PolarHBondContact O-N 3.44Å; M377-Y381 HydrophobicContact SD-CD2 3.66Å; M377-Y381 HydrophobicContact SD-CE2 3.28Å; M377-Y381 WeakPolarHBondContact SD-CE2 3.36Å; N378-Y381 PolarHBondContact O-N 3.44Å; Y381-A383 VanDerWaalsContact C-N 3.31Å; Y381-A383 PolarHBondContact O-N 2.88Å; Y381-I384 PolarHBondContact O-N 2.93Å; Y381-Y385 WeakPolarHBondContact O-CB 2.96Å; Y381-Y385 PolarHBondContact O-N 2.76Å; Y381-H449 AromaticContact CD1-CE1 3.98Å
382	E	98.3	Very high	97.8	Very high	26 Å²	26	9 Å²	9	12%	0.121	5%	0.046	C	C	.	.	H	α-helix	trans	-61.7	-41.1	173.6	-69.2	168.4	-172.8	0	0	111.4	H281 Q359 L363 N378 G379 I380 Y385 H386	H281-E382 IonicContact CD2-OE1 2.69Å; H281-E382 PolarHBondContact CD2-OE1 2.78Å; H281-E382 IonicContact NE2-OE1 2.85Å; Q359-E382 WeakPolarHBondContact CG-OE2 3.11Å; Q359-E382 PolarHBondContact NE2-OE2 2.81Å; L363-E382 HydrophobicContact CD1-CB 3.69Å; N378-E382 WeakPolarHBondContact O-CG 3.49Å; N378-E382 PolarHBondContact O-N 2.91Å; N378-E382 VanDerWaalsContact O-N 3.09Å; G379-E382 PolarHBondContact O-N 3.37Å; I380-E382 VanDerWaalsContact C-N 3.34Å; I380-E382 PolarHBondContact O-N 2.84Å; E382-Y385 PolarHBondContact O-N 2.88Å; E382-H386 PolarHBondContact O-CD2 2.88Å; E382-H386 PolarHBondContact O-N 3.31Å; E382-H386 VanDerWaalsContact O-N 3.09Å
383	A	98.6	Very high	97.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.046	C	C	.	.	H	α-helix	trans	-67.7	-40.7	176	0	0	0	0	0	112.5	L363 F371 G379 I380 Y381 G387 I388 M390	L363-A383 HydrophobicContact CD1-CB 4.43Å; F371-A383 HydrophobicContact CD1-CB 3.91Å; G379-A383 WeakPolarHBondContact O-CB 3.48Å; G379-A383 PolarHBondContact O-N 2.82Å; I380-A383 PolarHBondContact O-N 3.35Å; Y381-A383 VanDerWaalsContact C-N 3.31Å; Y381-A383 PolarHBondContact O-N 2.88Å; A383-G387 CarbonylContact O-C 3.54Å; A383-G387 WeakPolarHBondContact O-CA 2.94Å; A383-G387 PolarHBondContact O-N 3.32Å; A383-I388 HydrophobicContact CB-CB 4.45Å; A383-I388 PolarHBondContact O-N 3.23Å; A383-M390 HydrophobicContact CB-CE 3.85Å; A383-M390 HydrophobicContact CB-CG 4.04Å; A383-M390 HydrophobicContact CB-SD 3.6Å; A383-M390 VanDerWaalsContact CB-SD 3.6Å
384	I	98.6	Very high	97.6	Very high	3 Å²	3	9.7 Å²	9.7	2%	0.015	5%	0.05	C	C	.	.	H	α-helix	trans	-61.2	-49.6	172.8	-71.1	170.6	0	0	0	109.9	F264 I380 Y381 H386 G387 L406 L445 S446 H449	F264-I384 HydrophobicContact CB-CD1 4.16Å; I380-I384 HydrophobicContact CG2-CD1 3.74Å; I380-I384 HydrophobicContact CG2-CG1 4.33Å; I380-I384 WeakPolarHBondContact O-CG1 3.33Å; I380-I384 PolarHBondContact O-N 3.42Å; Y381-I384 PolarHBondContact O-N 2.93Å; I384-H386 VanDerWaalsContact C-N 3.29Å; I384-H386 PolarHBondContact O-N 3.11Å; I384-G387 PolarHBondContact O-N 2.8Å; I384-L406 HydrophobicContact CD1-CD2 4.23Å; I384-L406 HydrophobicContact CG1-CD2 4.49Å; I384-L445 HydrophobicContact CG2-CB 4.07Å; I384-S446 WeakPolarHBondContact O-CA 3.39Å; I384-S446 WeakPolarHBondContact O-CB 3.28Å; I384-S446 PolarHBondContact O-OG 2.63Å; I384-H449 HydrophobicContact CG2-CB 3.82Å
385	Y	98.5	Very high	97.3	Very high	37 Å²	37	9.8 Å²	9.8	15%	0.145	5%	0.051	C	C	.	.	H	α-helix	trans	-53.9	-45.7	-179.3	-177.2	-83.3	0	0	0	111.5	C282 K283 P284 Y381 E382 S446 H449 H450	C282-Y385 HydrophobicContact CB-CD1 4.38Å; C282-Y385 HydrophobicContact CB-CD2 3.3Å; C282-Y385 HydrophobicContact CB-CE2 3.88Å; C282-Y385 HydrophobicContact CB-CG 3.6Å; K283-Y385 WeakPolarHBondContact O-CE1 3.37Å; P284-Y385 WeakPolarHBondContact CD-OH 3.45Å; Y381-Y385 WeakPolarHBondContact O-CB 2.96Å; Y381-Y385 PolarHBondContact O-N 2.76Å; E382-Y385 PolarHBondContact O-N 2.88Å; Y385-S446 PolarHBondContact O-OG 3.32Å; Y385-H449 AromaticContact CD2-CD2 3.55Å; Y385-H449 AromaticContact CD2-NE2 3.6Å; Y385-H450 AromaticContact CD2-CE1 3.62Å; Y385-H450 AromaticContact CE1-CE1 3.76Å; Y385-H450 AromaticContact CE2-CE1 3.29Å; Y385-H450 WeakPolarHBondContact CE2-CE1 3.34Å; Y385-H450 AromaticContact CE2-ND1 3.95Å; Y385-H450 AromaticContact CG-CE1 3.99Å; Y385-H450 AromaticContact CZ-CE1 3.37Å; Y385-H450 PolarHBondContact O-NE2 2.97Å
386	H	98.7	Very high	96.9	Very high	32 Å²	32	11 Å²	11	15%	0.148	6%	0.057	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.8	2	179.4	-63.6	-63.6	0	0	0	114.3	K283 N360 L363 G364 E382 I384 I388	K283-H386 PolarHBondContact O-CE1 2.91Å; K283-H386 PolarHBondContact O-NE2 3.25Å; N360-H386 PolarHBondContact O-NE2 3.1Å; N360-H386 VanDerWaalsContact O-NE2 3.13Å; N360-H386 PolarHBondContact OD1-NE2 3.42Å; N360-H386 VanDerWaalsContact OD1-NE2 3.14Å; L363-H386 HydrophobicContact CB-CB 4.37Å; L363-H386 WeakPolarHBondContact O-CB 3.28Å; G364-H386 VanDerWaalsContact CA-CE1 3.49Å; G364-H386 WeakPolarHBondContact CA-CE1 3.42Å; G364-H386 VanDerWaalsContact CA-CG 3.4Å; G364-H386 WeakPolarHBondContact CA-ND1 3.47Å; E382-H386 PolarHBondContact O-CD2 2.88Å; E382-H386 PolarHBondContact O-N 3.31Å; E382-H386 VanDerWaalsContact O-N 3.09Å; I384-H386 VanDerWaalsContact C-N 3.29Å; I384-H386 PolarHBondContact O-N 3.11Å; H386-I388 HydrophobicContact CB-CG1 3.99Å; H386-I388 PolarHBondContact O-N 3.18Å
387	G	98.6	Very high	96.6	Very high	0 Å²	0	12.5 Å²	12.5	0%	0	7%	0.068	C	C	.	.	T	Hydrogen-bonded Turn	trans	63.2	37.7	178.5	0	0	0	0	0	114.2	A383 I384 K439	A383-G387 CarbonylContact O-C 3.54Å; A383-G387 WeakPolarHBondContact O-CA 2.94Å; A383-G387 PolarHBondContact O-N 3.32Å; I384-G387 PolarHBondContact O-N 2.8Å; G387-K439 PolarHBondContact O-NZ 3.49Å
388	I	98.8	Very high	96.4	Very high	5 Å²	5	12.9 Å²	12.9	3%	0.026	7%	0.07	C	C	.	.			trans	-97.8	123.5	-178	-55.1	-54.2	0	0	0	110.5	L363 T368 F371 A383 H386	L363-I388 HydrophobicContact CB-CG1 4.46Å; L363-I388 HydrophobicContact CD2-CB 4.45Å; L363-I388 HydrophobicContact CD2-CG1 4.38Å; L363-I388 HydrophobicContact CD2-CG2 4.22Å; L363-I388 WeakPolarHBondContact O-CD1 3.44Å; L363-I388 WeakPolarHBondContact O-CG1 3.21Å; T368-I388 HydrophobicContact CG2-CD1 3.94Å; T368-I388 HydrophobicContact CG2-CG1 4.12Å; T368-I388 HydrophobicContact CG2-CG2 3.95Å; F371-I388 HydrophobicContact CB-CG2 3.93Å; A383-I388 HydrophobicContact CB-CB 4.45Å; A383-I388 PolarHBondContact O-N 3.23Å; H386-I388 HydrophobicContact CB-CG1 3.99Å; H386-I388 PolarHBondContact O-N 3.18Å
389	P	98.7	Very high	96.5	Very high	1 Å²	1	11.6 Å²	11.6	1%	0.006	6%	0.063	C	C	.	.			trans	-73.6	156.5	174.8	32.8	-36	0	0	0	111.6	A370 F371 A411 I432 K439 A442	A370-P389 WeakPolarHBondContact CA-O 3.47Å; F371-P389 PolarHBondContact N-O 2.64Å; P389-A411 WeakPolarHBondContact CA-O 3.44Å; P389-I432 HydrophobicContact CB-CG2 3.97Å; P389-I432 HydrophobicContact CG-CG2 3.91Å; P389-K439 HydrophobicContact CG-CD 4.45Å; P389-A442 HydrophobicContact CB-CB 4.2Å
390	M	98.7	Very high	96.4	Very high	1 Å²	1	12.7 Å²	12.7	1%	0.005	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	143.9	-165.5	-72.8	164.7	-85.6	0	0	114.3	F371 T373 I380 A383 L406 A411 A412 L413 I432	F371-M390 HydrophobicContact CB-CG 4.04Å; F371-M390 HydrophobicContact CD1-CG 4.01Å; F371-M390 HydrophobicContact CD1-SD 4.35Å; F371-M390 HydrophobicContact CG-CG 4.45Å; F371-M390 CarbonylContact O-C 3.56Å; F371-M390 VanDerWaalsContact O-CA 3.22Å; F371-M390 WeakPolarHBondContact O-CA 3.31Å; T373-M390 HydrophobicContact CG2-CB 4.18Å; T373-M390 HydrophobicContact CG2-CG 4.09Å; T373-M390 HydrophobicContact CG2-SD 4.11Å; I380-M390 HydrophobicContact CG1-SD 4.23Å; A383-M390 HydrophobicContact CB-CE 3.85Å; A383-M390 HydrophobicContact CB-CG 4.04Å; A383-M390 HydrophobicContact CB-SD 3.6Å; A383-M390 VanDerWaalsContact CB-SD 3.6Å; M390-L406 HydrophobicContact CE-CD1 3.42Å; M390-L406 VanDerWaalsContact CE-CD1 3.42Å; M390-L406 HydrophobicContact CE-CD2 4.02Å; M390-L406 HydrophobicContact CE-CG 4.29Å; M390-L406 HydrophobicContact SD-CD1 3.71Å; M390-A411 PolarHBondContact N-O 2.94Å; M390-A412 HydrophobicContact CB-CB 4Å; M390-A412 CarbonylContact O-C 3.56Å; M390-A412 WeakPolarHBondContact O-CA 3.14Å; M390-L413 PolarHBondContact O-N 3.43Å; M390-I432 WeakPolarHBondContact O-CD1 3.31Å
391	V	98.8	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	109.6	156.7	-179	0	0	0	0	107.6	F371 I372 T373 V415 L425 A428 L429 I432	F371-V391 PolarHBondContact O-N 2.9Å; I372-V391 WeakPolarHBondContact CA-O 3.27Å; I372-V391 HydrophobicContact CG1-CB 4.44Å; T373-V391 PolarHBondContact N-O 3.42Å; V391-V415 HydrophobicContact CG1-CG2 3.83Å; V391-L425 HydrophobicContact CG1-CD1 3.94Å; V391-A428 HydrophobicContact CG1-CB 4.04Å; V391-A428 HydrophobicContact CG2-CB 4.25Å; V391-L429 HydrophobicContact CG2-CD2 3.94Å; V391-L429 HydrophobicContact CG2-CG 4.26Å; V391-I432 HydrophobicContact CG2-CB 4.09Å; V391-I432 HydrophobicContact CG2-CG1 3.62Å; V391-I432 HydrophobicContact CG2-CG2 4.46Å
392	G	98.4	Very high	96.2	Very high	0 Å²	0	12.7 Å²	12.7	0%	0	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	124.6	178.4	0	0	0	0	0	112.2	T373 P394 L413 K414 V415	T373-G392 CarbonylContact O-C 3.55Å; T373-G392 WeakPolarHBondContact O-CA 3.25Å; G392-P394 VanDerWaalsContact C-CD 3.45Å; G392-P394 WeakPolarHBondContact O-CD 3.33Å; G392-L413 PolarHBondContact N-O 3.35Å; G392-K414 WeakPolarHBondContact O-CA 3.34Å; G392-V415 PolarHBondContact O-N 2.98Å
393	I	97.8	Very high	96.1	Very high	0 Å²	0	11.4 Å²	11.4	0%	0	6%	0.064	C	C	.	.			trans	-118.1	72.2	172.7	-51.9	-179.8	0	0	0	107.9	I372 T373 H374 L417 M420 L425	I372-I393 HydrophobicContact CG2-CD1 3.5Å; I372-I393 VanDerWaalsContact CG2-CD1 3.5Å; I372-I393 HydrophobicContact CG2-CG1 4.08Å; T373-I393 PolarHBondContact O-N 3.39Å; H374-I393 WeakPolarHBondContact CA-O 3.3Å; I393-L417 HydrophobicContact CG2-CB 3.74Å; I393-L417 HydrophobicContact CG2-CD1 3.83Å; I393-L417 HydrophobicContact CG2-CG 4.29Å; I393-M420 HydrophobicContact CG2-SD 4.43Å; I393-L425 HydrophobicContact CD1-CD1 4.08Å
394	P	95.6	Very high	96	Very high	15 Å²	15	12.4 Å²	12.4	10%	0.097	7%	0.072	C	C	.	.			trans	-67.7	145.2	-173.6	28.5	-33.7	0	0	0	112	H374 G392 Q399 P400 I403 K414	H374-P394 WeakPolarHBondContact O-CA 3.44Å; G392-P394 VanDerWaalsContact C-CD 3.45Å; G392-P394 WeakPolarHBondContact O-CD 3.33Å; P394-Q399 HydrophobicContact CB-CB 3.87Å; P394-P400 HydrophobicContact CB-CB 4.19Å; P394-P400 HydrophobicContact CB-CG 3.99Å; P394-P400 HydrophobicContact CG-CB 4.42Å; P394-I403 HydrophobicContact CB-CG1 4.35Å; P394-I403 HydrophobicContact CG-CG1 4.48Å; P394-K414 HydrophobicContact CG-CD 4.38Å; P394-K414 HydrophobicContact CG-CG 4.14Å
395	I	91.4	Very high	95.9	Very high	25 Å²	25	12.2 Å²	12.2	13%	0.128	7%	0.071	C	C	.	.			trans	-116.5	-57.9	-174.4	-46.2	-179.9	0	0	0	110.3	V97 L309 V313 H374 Q399 L417	V97-I395 HydrophobicContact CG2-CG2 3.6Å; L309-I395 HydrophobicContact CB-CD1 4.26Å; L309-I395 HydrophobicContact CD1-CD1 4.2Å; L309-I395 HydrophobicContact CD2-CD1 4.24Å; L309-I395 HydrophobicContact CG-CD1 4.47Å; V313-I395 HydrophobicContact CB-CD1 4.3Å; V313-I395 HydrophobicContact CG1-CD1 4.22Å; V313-I395 HydrophobicContact CG2-CD1 3.77Å; H374-I395 HydrophobicContact CB-CD1 4.1Å; H374-I395 HydrophobicContact CB-CG1 4.24Å; I395-Q399 VanDerWaalsContact CB-OE1 3.29Å; I395-L417 HydrophobicContact CD1-CD2 4.41Å; I395-L417 HydrophobicContact CG1-CD2 4.09Å; I395-L417 HydrophobicContact CG2-CD2 4.31Å
396	F	88.7	Confident	95.8	Very high	26 Å²	26	10.5 Å²	10.5	11%	0.114	6%	0.064	C	C	.	.	S	Bend	trans	-154.9	178.1	-175	63.2	-92.4	0	0	0	114	A96 M312 V313 D398 Q399	A96-F396 HydrophobicContact CB-CB 3.63Å; A96-F396 HydrophobicContact CB-CD1 3.69Å; A96-F396 HydrophobicContact CB-CG 3.77Å; M312-F396 HydrophobicContact CE-CE2 3.85Å; M312-F396 HydrophobicContact CE-CZ 3.64Å; M312-F396 HydrophobicContact SD-CE2 4.43Å; M312-F396 HydrophobicContact SD-CZ 4.1Å; V313-F396 HydrophobicContact CG2-CE1 4.06Å; F396-D398 PolarHBondContact O-N 2.8Å; F396-Q399 WeakPolarHBondContact O-CB 3.47Å; F396-Q399 WeakPolarHBondContact O-CG 3.36Å; F396-Q399 PolarHBondContact O-N 3.34Å; F396-Q399 PolarHBondContact O-NE2 3.16Å
397	A	88.6	Confident	95.8	Very high	41 Å²	41	14.7 Å²	14.7	34%	0.339	8%	0.082	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.2	-127	179.8	0	0	0	0	0	112.7	Q399 P400	A397-Q399 VanDerWaalsContact C-N 3.32Å; A397-P400 WeakPolarHBondContact O-CD 3.23Å
398	D	91.4	Very high	95.7	Very high	21 Å²	21	17.4 Å²	17.4	11%	0.112	10%	0.104	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-12.3	-177.9	61.6	-40.9	0	0	0	113.6	F174 F396 H401 N402	F174-D398 HydrophobicContact CE1-CB 3.73Å; F174-D398 HydrophobicContact CE2-CB 4.47Å; F174-D398 HydrophobicContact CZ-CB 3.66Å; F396-D398 PolarHBondContact O-N 2.8Å; D398-H401 WeakPolarHBondContact O-CB 3.16Å; D398-H401 PolarHBondContact O-N 2.77Å; D398-N402 PolarHBondContact O-N 2.86Å; D398-N402 PolarHBondContact OD2-ND2 3.43Å
399	Q	95.1	Very high	95.6	Very high	4 Å²	4	18.8 Å²	18.8	2%	0.019	11%	0.11	C	C	.	.	H	α-helix	trans	-54.5	-46.7	-173.1	-66.1	162.6	30.8	0	0	114	H374 P394 I395 F396 A397 H401 N402 I403	H374-Q399 PolarHBondContact CD2-NE2 2.92Å; H374-Q399 WeakPolarHBondContact O-CB 3.38Å; H374-Q399 WeakPolarHBondContact O-CG 3.33Å; H374-Q399 PolarHBondContact O-OE1 3.46Å; P394-Q399 HydrophobicContact CB-CB 3.87Å; I395-Q399 VanDerWaalsContact CB-OE1 3.29Å; F396-Q399 WeakPolarHBondContact O-CB 3.47Å; F396-Q399 WeakPolarHBondContact O-CG 3.36Å; F396-Q399 PolarHBondContact O-N 3.34Å; F396-Q399 PolarHBondContact O-NE2 3.16Å; A397-Q399 VanDerWaalsContact C-N 3.32Å; Q399-H401 VanDerWaalsContact C-N 3.29Å; Q399-H401 PolarHBondContact O-N 3.45Å; Q399-N402 PolarHBondContact O-N 2.95Å; Q399-I403 WeakPolarHBondContact O-CG1 3.16Å; Q399-I403 PolarHBondContact O-N 2.94Å
400	P	94.9	Very high	95.5	Very high	28 Å²	28	18.8 Å²	18.8	18%	0.182	11%	0.111	C	C	.	.	H	α-helix	trans	-61.4	-39.6	178.1	-20	32.4	0	0	0	112.4	E200 P394 A397 A404	E200-P400 HydrophobicContact CG-CB 4.15Å; E200-P400 WeakPolarHBondContact OE1-CB 3.15Å; P394-P400 HydrophobicContact CB-CB 4.19Å; P394-P400 HydrophobicContact CB-CG 3.99Å; P394-P400 HydrophobicContact CG-CB 4.42Å; A397-P400 WeakPolarHBondContact O-CD 3.23Å; P400-A404 WeakPolarHBondContact O-CB 3.33Å; P400-A404 PolarHBondContact O-N 3.28Å
401	H	94.6	Very high	95.5	Very high	1 Å²	1	18.8 Å²	18.8	1%	0.005	11%	0.111	C	C	.	.	H	α-helix	trans	-66.4	-43.1	177.5	174.8	82.3	0	0	0	111.4	D398 Q399 I403 A404 H405	D398-H401 WeakPolarHBondContact O-CB 3.16Å; D398-H401 PolarHBondContact O-N 2.77Å; Q399-H401 VanDerWaalsContact C-N 3.29Å; Q399-H401 PolarHBondContact O-N 3.45Å; H401-I403 PolarHBondContact O-N 3.45Å; H401-A404 WeakPolarHBondContact O-CB 3.47Å; H401-A404 PolarHBondContact O-N 3.47Å; H401-H405 AromaticContact CE1-CD2 3.95Å; H401-H405 AromaticContact CE1-CE1 3.81Å; H401-H405 AromaticContact CE1-NE2 3.25Å; H401-H405 PolarHBondContact CE1-NE2 2.92Å; H401-H405 VanDerWaalsContact CE1-NE2 3.25Å; H401-H405 AromaticContact NE2-CE1 3.44Å; H401-H405 PolarHBondContact NE2-CE1 3.23Å; H401-H405 AromaticContact NE2-NE2 3.37Å; H401-H405 PolarHBondContact NE2-NE2 3.44Å; H401-H405 PolarHBondContact O-N 2.86Å
402	N	96.6	Very high	95.5	Very high	0 Å²	0	18.9 Å²	18.9	0%	0	11%	0.111	C	C	.	.	H	α-helix	trans	-63.8	-42.7	178.6	-64.4	-22.3	0	0	0	112.7	F264 G375 M377 I380 D398 Q399 A404 H405 L406	F264-N402 HydrophobicContact CE2-CB 4.22Å; F264-N402 HydrophobicContact CZ-CB 3.98Å; F264-N402 WeakPolarHBondContact CZ-OD1 3.41Å; G375-N402 WeakPolarHBondContact O-CB 3.32Å; G375-N402 PolarHBondContact O-ND2 3.25Å; M377-N402 WeakPolarHBondContact CE-OD1 3.38Å; I380-N402 HydrophobicContact CD1-CB 3.52Å; D398-N402 PolarHBondContact O-N 2.86Å; D398-N402 PolarHBondContact OD2-ND2 3.43Å; Q399-N402 PolarHBondContact O-N 2.95Å; N402-A404 VanDerWaalsContact C-N 3.32Å; N402-H405 WeakPolarHBondContact O-CB 3.41Å; N402-H405 PolarHBondContact O-N 3.35Å; N402-L406 PolarHBondContact O-N 3.47Å; N402-L406 VanDerWaalsContact O-N 3.11Å
403	I	97.6	Very high	95.5	Very high	0 Å²	0	20.4 Å²	20.4	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-66.3	-36.9	175.5	-63.5	-54.2	0	0	0	110.9	T373 G375 P394 Q399 H401 H405 L406 K407 K414	T373-I403 HydrophobicContact CG2-CD1 4.3Å; G375-I403 VanDerWaalsContact CA-CD1 3.49Å; P394-I403 HydrophobicContact CB-CG1 4.35Å; P394-I403 HydrophobicContact CG-CG1 4.48Å; Q399-I403 WeakPolarHBondContact O-CG1 3.16Å; Q399-I403 PolarHBondContact O-N 2.94Å; H401-I403 PolarHBondContact O-N 3.45Å; I403-H405 PolarHBondContact O-N 2.9Å; I403-L406 PolarHBondContact O-N 2.95Å; I403-K407 VanDerWaalsContact O-CB 3.32Å; I403-K407 WeakPolarHBondContact O-CB 3.42Å; I403-K407 PolarHBondContact O-N 2.85Å; I403-K414 HydrophobicContact CG2-CB 3.67Å; I403-K414 HydrophobicContact CG2-CD 4.41Å; I403-K414 HydrophobicContact CG2-CG 3.86Å
404	A	96.1	Very high	95.5	Very high	20 Å²	20	24.1 Å²	24.1	17%	0.165	14%	0.135	C	C	.	.	H	α-helix	trans	-61	-42.2	174.5	0	0	0	0	0	112.1	E200 P400 H401 N402 K407 A408	E200-A404 HydrophobicContact CB-CB 4.14Å; E200-A404 HydrophobicContact CG-CB 4.48Å; P400-A404 WeakPolarHBondContact O-CB 3.33Å; P400-A404 PolarHBondContact O-N 3.28Å; H401-A404 WeakPolarHBondContact O-CB 3.47Å; H401-A404 PolarHBondContact O-N 3.47Å; N402-A404 VanDerWaalsContact C-N 3.32Å; A404-K407 PolarHBondContact O-N 3.41Å; A404-A408 WeakPolarHBondContact O-CB 3.3Å; A404-A408 PolarHBondContact O-N 3.49Å
405	H	95.9	Very high	95.6	Very high	0 Å²	0	24 Å²	24	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-49.4	173	-86.7	-162.4	0	0	0	112.4	F264 E265 Y266 H401 N402 I403 K407 A408 K409	F264-H405 AromaticContact CE1-ND1 3.65Å; F264-H405 HydrophobicContact CE2-CB 3.86Å; F264-H405 HydrophobicContact CZ-CB 3.89Å; F264-H405 AromaticContact CZ-ND1 3.6Å; E265-H405 IonicContact OE2-CE1 2.75Å; E265-H405 IonicContact OE2-ND1 2.81Å; Y266-H405 AromaticContact CD2-CE1 3.75Å; Y266-H405 AromaticContact CD2-NE2 3.56Å; Y266-H405 AromaticContact CE2-CD2 3.36Å; Y266-H405 WeakPolarHBondContact CE2-CD2 3.42Å; Y266-H405 AromaticContact CE2-CE1 3.61Å; Y266-H405 AromaticContact CE2-NE2 3.03Å; Y266-H405 WeakPolarHBondContact CE2-NE2 3.48Å; Y266-H405 AromaticContact CZ-CD2 3.79Å; Y266-H405 AromaticContact CZ-NE2 3.94Å; H401-H405 AromaticContact CE1-CD2 3.95Å; H401-H405 AromaticContact CE1-CE1 3.81Å; H401-H405 AromaticContact CE1-NE2 3.25Å; H401-H405 PolarHBondContact CE1-NE2 2.92Å; H401-H405 VanDerWaalsContact CE1-NE2 3.25Å; H401-H405 AromaticContact NE2-CE1 3.44Å; H401-H405 PolarHBondContact NE2-CE1 3.23Å; H401-H405 AromaticContact NE2-NE2 3.37Å; H401-H405 PolarHBondContact NE2-NE2 3.44Å; H401-H405 PolarHBondContact O-N 2.86Å; N402-H405 WeakPolarHBondContact O-CB 3.41Å; N402-H405 PolarHBondContact O-N 3.35Å; I403-H405 PolarHBondContact O-N 2.9Å; H405-K407 VanDerWaalsContact C-N 3.3Å; H405-K407 PolarHBondContact O-N 3.02Å; H405-A408 WeakPolarHBondContact O-CB 3.45Å; H405-A408 PolarHBondContact O-N 3.47Å; H405-K409 WeakPolarHBondContact O-CG 3.47Å; H405-K409 PolarHBondContact O-N 3.04Å
406	L	97.4	Very high	95.7	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	15%	0.147	C	C	.	.	H	α-helix	trans	-66.2	-34.3	-179.9	-73.5	172.8	0	0	0	112.8	F264 I380 I384 M390 N402 I403 K409 G410 A411 A412 L445	F264-L406 HydrophobicContact CD2-CD2 4.24Å; F264-L406 HydrophobicContact CD2-CG 4.35Å; F264-L406 HydrophobicContact CE2-CG 4.23Å; I380-L406 HydrophobicContact CB-CD1 4.32Å; I380-L406 HydrophobicContact CD1-CD1 3.66Å; I380-L406 HydrophobicContact CG1-CD1 3.7Å; I380-L406 HydrophobicContact CG2-CD1 3.79Å; I380-L406 HydrophobicContact CG2-CD2 4.29Å; I380-L406 HydrophobicContact CG2-CG 4.36Å; I384-L406 HydrophobicContact CD1-CD2 4.23Å; I384-L406 HydrophobicContact CG1-CD2 4.49Å; M390-L406 HydrophobicContact CE-CD1 3.42Å; M390-L406 VanDerWaalsContact CE-CD1 3.42Å; M390-L406 HydrophobicContact CE-CD2 4.02Å; M390-L406 HydrophobicContact CE-CG 4.29Å; M390-L406 HydrophobicContact SD-CD1 3.71Å; N402-L406 PolarHBondContact O-N 3.47Å; N402-L406 VanDerWaalsContact O-N 3.11Å; I403-L406 PolarHBondContact O-N 2.95Å; L406-K409 CarbonylContact O-C 3.5Å; L406-K409 PolarHBondContact O-N 3.1Å; L406-G410 PolarHBondContact O-N 3.43Å; L406-G410 VanDerWaalsContact O-N 3.13Å; L406-A411 HydrophobicContact CD2-CB 4.49Å; L406-A411 PolarHBondContact O-N 3.21Å; L406-A412 HydrophobicContact CB-CB 3.63Å; L406-A412 PolarHBondContact O-N 2.72Å; L406-L445 HydrophobicContact CD2-CD1 4.31Å
407	K	97.3	Very high	96	Very high	120 Å²	120	25.4 Å²	25.4	52%	0.522	14%	0.143	S	C	.	.	H	α-helix	trans	-63	-45.6	172.1	-176.9	-178.3	175.9	-176.4	0	110.9	I403 A404 H405 K409 G410 A412	I403-K407 VanDerWaalsContact O-CB 3.32Å; I403-K407 WeakPolarHBondContact O-CB 3.42Å; I403-K407 PolarHBondContact O-N 2.85Å; A404-K407 PolarHBondContact O-N 3.41Å; H405-K407 VanDerWaalsContact C-N 3.3Å; H405-K407 PolarHBondContact O-N 3.02Å; K407-K409 PolarHBondContact O-N 3Å; K407-G410 PolarHBondContact O-N 3.47Å; K407-A412 WeakPolarHBondContact CA-O 3.3Å
408	A	96.4	Very high	96.1	Very high	57 Å²	57	27.2 Å²	27.2	47%	0.471	15%	0.147	S	C	.	.	H	α-helix	trans	-60.9	-32	175.6	0	0	0	0	0	112.3	T202 Y266 A404 H405 G410	T202-A408 HydrophobicContact CG2-CB 4.02Å; Y266-A408 WeakPolarHBondContact OH-CB 3.24Å; A404-A408 WeakPolarHBondContact O-CB 3.3Å; A404-A408 PolarHBondContact O-N 3.49Å; H405-A408 WeakPolarHBondContact O-CB 3.45Å; H405-A408 PolarHBondContact O-N 3.47Å; A408-G410 VanDerWaalsContact C-N 3.29Å; A408-G410 PolarHBondContact O-N 3.05Å
409	K	96.6	Very high	96.2	Very high	35 Å²	35	31.1 Å²	31.1	15%	0.152	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-83	1.8	173.6	-65	-175.8	-169.8	-121.5	0	114.4	D263 F264 E265 H405 L406 K407 A411 L445	D263-K409 VanDerWaalsContact O-CD 3.31Å; D263-K409 WeakPolarHBondContact O-CD 3.4Å; D263-K409 WeakPolarHBondContact O-CE 3.38Å; D263-K409 PolarHBondContact O-NZ 2.92Å; F264-K409 WeakPolarHBondContact O-CE 3.09Å; F264-K409 PolarHBondContact O-NZ 3.19Å; E265-K409 PolarHBondContact O-NZ 3.24Å; H405-K409 WeakPolarHBondContact O-CG 3.47Å; H405-K409 PolarHBondContact O-N 3.04Å; L406-K409 CarbonylContact O-C 3.5Å; L406-K409 PolarHBondContact O-N 3.1Å; K407-K409 PolarHBondContact O-N 3Å; K409-A411 VanDerWaalsContact C-N 3.29Å; K409-A411 PolarHBondContact O-N 3.07Å; K409-L445 HydrophobicContact CB-CD1 4.25Å; K409-L445 HydrophobicContact CD-CD1 4.31Å; K409-L445 HydrophobicContact CD-CD2 4.09Å
410	G	97.8	Very high	96.3	Very high	1 Å²	1	31.5 Å²	31.5	1%	0.01	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	71.8	16.5	177.8	0	0	0	0	0	115	L406 K407 A408 Y438 N441	L406-G410 PolarHBondContact O-N 3.43Å; L406-G410 VanDerWaalsContact O-N 3.13Å; K407-G410 PolarHBondContact O-N 3.47Å; A408-G410 VanDerWaalsContact C-N 3.29Å; A408-G410 PolarHBondContact O-N 3.05Å; G410-Y438 WeakPolarHBondContact O-CA 3.49Å; G410-Y438 VanDerWaalsContact O-CD1 3.28Å; G410-Y438 WeakPolarHBondContact O-CD1 3.28Å; G410-N441 WeakPolarHBondContact O-CB 3.24Å
411	A	98.3	Very high	96.4	Very high	1 Å²	1	33 Å²	33	1%	0.008	18%	0.182	C	C	.	.	S	Bend	trans	-105.8	-1.4	-177.3	0	0	0	0	0	113.6	P389 M390 L406 K409 A442 L445	P389-A411 WeakPolarHBondContact CA-O 3.44Å; M390-A411 PolarHBondContact N-O 2.94Å; L406-A411 HydrophobicContact CD2-CB 4.49Å; L406-A411 PolarHBondContact O-N 3.21Å; K409-A411 VanDerWaalsContact C-N 3.29Å; K409-A411 PolarHBondContact O-N 3.07Å; A411-A442 HydrophobicContact CB-CB 4.43Å; A411-L445 HydrophobicContact CB-CD1 3.82Å
412	A	98.4	Very high	96.5	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.008	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	155.7	179.5	0	0	0	0	0	114.4	M390 L406 K407	M390-A412 HydrophobicContact CB-CB 4Å; M390-A412 CarbonylContact O-C 3.56Å; M390-A412 WeakPolarHBondContact O-CA 3.14Å; L406-A412 HydrophobicContact CB-CB 3.63Å; L406-A412 PolarHBondContact O-N 2.72Å; K407-A412 WeakPolarHBondContact CA-O 3.3Å
413	L	98.5	Very high	96.6	Very high	33 Å²	33	38.9 Å²	38.9	17%	0.173	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	149.6	161.9	-73.7	179	0	0	0	110.2	M390 G392 A428 A431 I432 Y438	M390-L413 PolarHBondContact O-N 3.43Å; G392-L413 PolarHBondContact N-O 3.35Å; L413-A428 HydrophobicContact CB-CB 4.45Å; L413-A428 HydrophobicContact CD1-CB 4.13Å; L413-A431 HydrophobicContact CD1-CB 3.75Å; L413-I432 HydrophobicContact CB-CD1 4.25Å; L413-I432 HydrophobicContact CB-CG1 4.23Å; L413-I432 HydrophobicContact CD1-CD1 4.2Å; L413-I432 HydrophobicContact CD1-CG1 3.97Å; L413-I432 HydrophobicContact CG-CD1 3.87Å; L413-I432 HydrophobicContact CG-CG1 4.08Å; L413-Y438 HydrophobicContact CD2-CE1 4.09Å; L413-Y438 WeakPolarHBondContact CD2-OH 3.34Å; L413-Y438 HydrophobicContact CG-CE1 4.02Å
414	K	97.9	Very high	96.6	Very high	77 Å²	77	42.6 Å²	42.6	34%	0.335	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.4	177	-173.9	-178.9	178.5	-176.7	0	109.4	E200 G392 P394 I403	E200-K414 VanDerWaalsContact CD-NZ 3.32Å; E200-K414 IonicContact OE1-NZ 2.78Å; E200-K414 PolarHBondContact OE1-NZ 2.96Å; E200-K414 IonicContact OE2-NZ 3.8Å; E200-K414 PolarHBondContact OE2-NZ 3.34Å; G392-K414 WeakPolarHBondContact O-CA 3.34Å; P394-K414 HydrophobicContact CG-CD 4.38Å; P394-K414 HydrophobicContact CG-CG 4.14Å; I403-K414 HydrophobicContact CG2-CB 3.67Å; I403-K414 HydrophobicContact CG2-CD 4.41Å; I403-K414 HydrophobicContact CG2-CG 3.86Å
415	V	97.7	Very high	96.7	Very high	12 Å²	12	41.6 Å²	41.6	7%	0.073	22%	0.223	C	C	.	.			trans	-123	137.4	171.8	-176.2	0	0	0	0	108.5	V391 G392 M420 D424 A428	V391-V415 HydrophobicContact CG1-CG2 3.83Å; G392-V415 PolarHBondContact O-N 2.98Å; V415-M420 HydrophobicContact CB-SD 4.45Å; V415-M420 HydrophobicContact CG1-CB 3.37Å; V415-M420 HydrophobicContact CG1-CG 3.98Å; V415-M420 HydrophobicContact CG1-SD 3.43Å; V415-M420 WeakPolarHBondContact CG1-SD 3.38Å; V415-D424 HydrophobicContact CG1-CB 4.43Å; V415-A428 HydrophobicContact CG2-CB 3.63Å
416	N	95	Very high	96.8	Very high	75 Å²	75	42.2 Å²	42.2	40%	0.401	23%	0.226	S	C	.	.			trans	-90.2	113.8	-175.9	-177.5	-29.6	0	0	0	110.9	N418 T419 M420	N416-N418 PolarHBondContact O-N 3.48Å; N416-N418 PolarHBondContact OD1-N 2.88Å; N416-T419 WeakPolarHBondContact CB-OG1 3.28Å; N416-T419 PolarHBondContact O-N 2.9Å; N416-M420 WeakPolarHBondContact O-CB 3.43Å; N416-M420 VanDerWaalsContact O-CG 3.24Å; N416-M420 WeakPolarHBondContact O-CG 3.47Å; N416-M420 PolarHBondContact O-N 3.32Å
417	L	94	Very high	96.9	Very high	6 Å²	6	45.6 Å²	45.6	3%	0.031	25%	0.25	C	S	.	.	T	Hydrogen-bonded Turn	trans	-52.1	-31.8	-178.5	-176.4	62.1	0	0	0	114.3	L316 K320 I324 I393 I395 M420	L316-L417 HydrophobicContact CD1-CD1 4.44Å; L316-L417 HydrophobicContact CD2-CD2 4.36Å; K320-L417 HydrophobicContact CD-CD1 4.35Å; K320-L417 HydrophobicContact CD-CG 4.28Å; I324-L417 HydrophobicContact CD1-CD1 4.41Å; I393-L417 HydrophobicContact CG2-CB 3.74Å; I393-L417 HydrophobicContact CG2-CD1 3.83Å; I393-L417 HydrophobicContact CG2-CG 4.29Å; I395-L417 HydrophobicContact CD1-CD2 4.41Å; I395-L417 HydrophobicContact CG1-CD2 4.09Å; I395-L417 HydrophobicContact CG2-CD2 4.31Å; L417-M420 HydrophobicContact CD1-CE 3.86Å
418	N	90.8	Very high	97	Very high	80 Å²	80	40.3 Å²	40.3	43%	0.428	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.7	-20.9	-172.7	-60.6	-48.6	0	0	0	113.4	K320 N416	K320-N418 PolarHBondContact NZ-OD1 2.9Å; N416-N418 PolarHBondContact O-N 3.48Å; N416-N418 PolarHBondContact OD1-N 2.88Å
419	T	93.9	Very high	97.1	Very high	103 Å²	103	37.6 Å²	37.6	63%	0.632	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-122.8	-9.9	-175.1	67.7	0	0	0	0	113.6	N416	N416-T419 WeakPolarHBondContact CB-OG1 3.28Å; N416-T419 PolarHBondContact O-N 2.9Å
420	M	96.1	Very high	97.2	Very high	12 Å²	12	41 Å²	41	6%	0.059	22%	0.221	C	C	.	.			trans	-66.5	143.4	-178.2	68.4	-174.5	-169.9	0	0	112	L323 I324 I393 V415 N416 L417 D424	L323-M420 WeakPolarHBondContact CD1-O 3.47Å; L323-M420 HydrophobicContact CD2-CE 4.01Å; L323-M420 HydrophobicContact CD2-CG 4.17Å; I324-M420 HydrophobicContact CD1-CE 3.76Å; I324-M420 HydrophobicContact CG1-CE 3.43Å; I324-M420 VanDerWaalsContact CG1-CE 3.43Å; I393-M420 HydrophobicContact CG2-SD 4.43Å; V415-M420 HydrophobicContact CB-SD 4.45Å; V415-M420 HydrophobicContact CG1-CB 3.37Å; V415-M420 HydrophobicContact CG1-CG 3.98Å; V415-M420 HydrophobicContact CG1-SD 3.43Å; V415-M420 WeakPolarHBondContact CG1-SD 3.38Å; N416-M420 WeakPolarHBondContact O-CB 3.43Å; N416-M420 VanDerWaalsContact O-CG 3.24Å; N416-M420 WeakPolarHBondContact O-CG 3.47Å; N416-M420 PolarHBondContact O-N 3.32Å; L417-M420 HydrophobicContact CD1-CE 3.86Å; M420-D424 HydrophobicContact CB-CB 4.23Å
421	T	97.3	Very high	97.2	Very high	58 Å²	58	41.8 Å²	41.8	36%	0.356	23%	0.227	S	C	.	.			trans	-91.7	170.1	165.1	62	0	0	0	0	110.8	E423 D424 L425	T421-E423 PolarHBondContact O-N 2.92Å; T421-D424 PolarHBondContact N-OD2 2.93Å; T421-D424 PolarHBondContact O-N 3.15Å; T421-D424 PolarHBondContact OG1-N 3.37Å; T421-D424 VanDerWaalsContact OG1-N 3.13Å; T421-D424 PolarHBondContact OG1-OD2 3.44Å; T421-L425 PolarHBondContact O-N 2.8Å
422	S	97.2	Very high	97.2	Very high	13 Å²	13	41.8 Å²	41.8	9%	0.091	23%	0.227	C	C	.	.	H	α-helix	trans	-60.4	-36.2	171.8	179	0	0	0	0	110.7	A327 L426	A327-S422 VanDerWaalsContact CA-OG 3.31Å; A327-S422 WeakPolarHBondContact CA-OG 3.45Å; A327-S422 VanDerWaalsContact CB-O 3.28Å; A327-S422 WeakPolarHBondContact CB-O 3.39Å; A327-S422 WeakPolarHBondContact CB-OG 3.36Å; A327-S422 PolarHBondContact N-OG 3.44Å; A327-S422 VanDerWaalsContact N-OG 3.1Å; S422-L426 WeakPolarHBondContact O-CB 3.26Å; S422-L426 PolarHBondContact O-N 3.29Å
423	E	97.9	Very high	97.2	Very high	112 Å²	112	43.5 Å²	43.5	52%	0.523	24%	0.236	S	C	.	.	H	α-helix	trans	-67.4	-38	179.9	-68.5	65.1	-147	0	0	111.9	T421 L426 S427	T421-E423 PolarHBondContact O-N 2.92Å; E423-L426 PolarHBondContact O-N 3.32Å; E423-S427 VanDerWaalsContact O-CB 3.23Å; E423-S427 WeakPolarHBondContact O-CB 3.5Å; E423-S427 PolarHBondContact O-N 2.87Å; E423-S427 PolarHBondContact O-OG 3.31Å
424	D	98.3	Very high	97.2	Very high	78 Å²	78	47.4 Å²	47.4	42%	0.417	26%	0.257	S	S	.	.	H	α-helix	trans	-62.4	-47.5	176.6	-66.2	-45.8	0	0	0	111.3	V415 M420 T421 S427 A428	V415-D424 HydrophobicContact CG1-CB 4.43Å; M420-D424 HydrophobicContact CB-CB 4.23Å; T421-D424 PolarHBondContact N-OD2 2.93Å; T421-D424 PolarHBondContact O-N 3.15Å; T421-D424 PolarHBondContact OG1-N 3.37Å; T421-D424 VanDerWaalsContact OG1-N 3.13Å; T421-D424 PolarHBondContact OG1-OD2 3.44Å; D424-S427 PolarHBondContact O-N 2.72Å; D424-A428 WeakPolarHBondContact O-CB 3.37Å; D424-A428 PolarHBondContact O-N 2.89Å
425	L	98.5	Very high	97.2	Very high	0 Å²	0	48 Å²	48	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-66.5	-43.1	178.3	179.5	57	0	0	0	111.4	I324 A327 V391 I393 T421 S427 A428 L429	I324-L425 HydrophobicContact CB-CD2 4.24Å; I324-L425 HydrophobicContact CG1-CD2 4.14Å; I324-L425 HydrophobicContact CG2-CD2 3.77Å; A327-L425 HydrophobicContact CB-CB 4.04Å; A327-L425 HydrophobicContact CB-CD2 4Å; A327-L425 HydrophobicContact CB-CG 4.08Å; V391-L425 HydrophobicContact CG1-CD1 3.94Å; I393-L425 HydrophobicContact CD1-CD1 4.08Å; T421-L425 PolarHBondContact O-N 2.8Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 2.88Å; L425-A428 PolarHBondContact O-N 2.89Å; L425-L429 HydrophobicContact CD1-CD1 4.13Å; L425-L429 HydrophobicContact CD1-CG 4.32Å; L425-L429 HydrophobicContact CG-CD1 4.05Å; L425-L429 WeakPolarHBondContact O-CB 3.38Å; L425-L429 WeakPolarHBondContact O-CG 3.5Å; L425-L429 PolarHBondContact O-N 3.17Å
426	L	98.6	Very high	97.2	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.063	28%	0.284	C	S	.	.	H	α-helix	trans	-60	-43.7	176.2	178.4	60.9	0	0	0	111.7	A327 Q330 I331 S422 E423 L429 K430	A327-L426 HydrophobicContact CB-CB 4.42Å; Q330-L426 HydrophobicContact CB-CD1 3.98Å; Q330-L426 HydrophobicContact CB-CD2 4.04Å; Q330-L426 VanDerWaalsContact OE1-CD2 3.31Å; I331-L426 HydrophobicContact CG2-CD1 3.46Å; I331-L426 VanDerWaalsContact CG2-CD1 3.46Å; S422-L426 WeakPolarHBondContact O-CB 3.26Å; S422-L426 PolarHBondContact O-N 3.29Å; E423-L426 PolarHBondContact O-N 3.32Å; L426-L429 PolarHBondContact O-N 2.86Å; L426-K430 HydrophobicContact CD1-CD 4.41Å; L426-K430 HydrophobicContact CD1-CG 4.44Å; L426-K430 HydrophobicContact CG-CD 4.34Å; L426-K430 WeakPolarHBondContact O-CG 3.4Å; L426-K430 PolarHBondContact O-N 2.85Å
427	S	98.6	Very high	97.4	Very high	72 Å²	72	53.8 Å²	53.8	50%	0.503	29%	0.287	S	S	.	.	H	α-helix	trans	-65.4	-44.7	179.2	-60.2	0	0	0	0	111.2	E423 D424 L425 L429 K430 A431	E423-S427 VanDerWaalsContact O-CB 3.23Å; E423-S427 WeakPolarHBondContact O-CB 3.5Å; E423-S427 PolarHBondContact O-N 2.87Å; E423-S427 PolarHBondContact O-OG 3.31Å; D424-S427 PolarHBondContact O-N 2.72Å; L425-S427 VanDerWaalsContact C-N 3.33Å; L425-S427 PolarHBondContact O-N 2.88Å; S427-L429 VanDerWaalsContact C-N 3.33Å; S427-L429 PolarHBondContact O-N 2.86Å; S427-K430 PolarHBondContact O-N 2.95Å; S427-A431 WeakPolarHBondContact O-CB 3.31Å; S427-A431 PolarHBondContact O-N 3.42Å
428	A	98.6	Very high	97.6	Very high	8 Å²	8	54.9 Å²	54.9	7%	0.066	29%	0.291	C	S	.	.	H	α-helix	trans	-60.8	-41.1	175.5	0	0	0	0	0	112.2	V391 L413 V415 D424 L425 A431 I432	V391-A428 HydrophobicContact CG1-CB 4.04Å; V391-A428 HydrophobicContact CG2-CB 4.25Å; L413-A428 HydrophobicContact CB-CB 4.45Å; L413-A428 HydrophobicContact CD1-CB 4.13Å; V415-A428 HydrophobicContact CG2-CB 3.63Å; D424-A428 WeakPolarHBondContact O-CB 3.37Å; D424-A428 PolarHBondContact O-N 2.89Å; L425-A428 PolarHBondContact O-N 2.89Å; A428-A431 PolarHBondContact O-N 3.23Å; A428-I432 WeakPolarHBondContact O-CB 3.5Å; A428-I432 WeakPolarHBondContact O-CG1 3.33Å; A428-I432 PolarHBondContact O-N 2.91Å
429	L	98.6	Very high	98	Very high	0 Å²	0	54.8 Å²	54.8	0%	0	29%	0.287	C	S	.	.	H	α-helix	trans	-65.5	-44.9	176.4	-78.2	165.6	0	0	0	112.2	V305 L328 I331 I372 V391 L425 L426 S427 A431 I432 I433	V305-L429 HydrophobicContact CG1-CD2 4.28Å; L328-L429 HydrophobicContact CD2-CD1 3.97Å; I331-L429 HydrophobicContact CD1-CD1 4.38Å; I372-L429 HydrophobicContact CD1-CD1 3.99Å; I372-L429 HydrophobicContact CD1-CD2 3.83Å; I372-L429 HydrophobicContact CD1-CG 4.39Å; I372-L429 HydrophobicContact CG1-CD2 3.82Å; V391-L429 HydrophobicContact CG2-CD2 3.94Å; V391-L429 HydrophobicContact CG2-CG 4.26Å; L425-L429 HydrophobicContact CD1-CD1 4.13Å; L425-L429 HydrophobicContact CD1-CG 4.32Å; L425-L429 HydrophobicContact CG-CD1 4.05Å; L425-L429 WeakPolarHBondContact O-CB 3.38Å; L425-L429 WeakPolarHBondContact O-CG 3.5Å; L425-L429 PolarHBondContact O-N 3.17Å; L426-L429 PolarHBondContact O-N 2.86Å; S427-L429 VanDerWaalsContact C-N 3.33Å; S427-L429 PolarHBondContact O-N 2.86Å; L429-A431 VanDerWaalsContact C-N 3.31Å; L429-A431 PolarHBondContact O-N 3.47Å; L429-I432 PolarHBondContact O-N 2.91Å; L429-I433 VanDerWaalsContact O-CB 3.31Å; L429-I433 WeakPolarHBondContact O-CB 3.27Å; L429-I433 WeakPolarHBondContact O-CD1 3.34Å; L429-I433 VanDerWaalsContact O-CG1 3.22Å; L429-I433 WeakPolarHBondContact O-CG1 3.41Å; L429-I433 PolarHBondContact O-N 3.46Å
430	K	98.6	Very high	98.2	Very high	108 Å²	108	56 Å²	56	47%	0.47	29%	0.286	S	S	.	.	H	α-helix	trans	-60	-41.9	175.9	-76.8	177.6	176.9	176.1	0	111.5	L426 S427 N434	L426-K430 HydrophobicContact CD1-CD 4.41Å; L426-K430 HydrophobicContact CD1-CG 4.44Å; L426-K430 HydrophobicContact CG-CD 4.34Å; L426-K430 WeakPolarHBondContact O-CG 3.4Å; L426-K430 PolarHBondContact O-N 2.85Å; S427-K430 PolarHBondContact O-N 2.95Å; K430-N434 VanDerWaalsContact O-CB 3.25Å; K430-N434 WeakPolarHBondContact O-CB 3.29Å; K430-N434 PolarHBondContact O-N 2.89Å; K430-N434 PolarHBondContact O-ND2 3.34Å
431	A	98.6	Very high	98.3	Very high	16 Å²	16	56.7 Å²	56.7	13%	0.132	29%	0.29	C	S	.	.	H	α-helix	trans	-64.7	-54.2	176.7	0	0	0	0	0	111.6	L413 S427 A428 L429 I433 N434 E435 Y438	L413-A431 HydrophobicContact CD1-CB 3.75Å; S427-A431 WeakPolarHBondContact O-CB 3.31Å; S427-A431 PolarHBondContact O-N 3.42Å; A428-A431 PolarHBondContact O-N 3.23Å; L429-A431 VanDerWaalsContact C-N 3.31Å; L429-A431 PolarHBondContact O-N 3.47Å; A431-I433 VanDerWaalsContact C-N 3.26Å; A431-I433 PolarHBondContact O-N 2.91Å; A431-N434 PolarHBondContact O-N 3.47Å; A431-E435 WeakPolarHBondContact CB-OE1 3.43Å; A431-E435 VanDerWaalsContact O-CB 3.29Å; A431-E435 WeakPolarHBondContact O-CB 3.21Å; A431-E435 PolarHBondContact O-N 3.33Å; A431-Y438 HydrophobicContact CB-CE2 4.38Å
432	I	98.3	Very high	98.4	Very high	2 Å²	2	54 Å²	54	1%	0.01	27%	0.274	C	S	.	.	H	α-helix	trans	-57.1	-38.2	-179.3	-77.5	-57.3	0	0	0	112.7	A370 P389 M390 V391 L413 A428 L429 Y438	A370-I432 HydrophobicContact CB-CG2 3.68Å; P389-I432 HydrophobicContact CB-CG2 3.97Å; P389-I432 HydrophobicContact CG-CG2 3.91Å; M390-I432 WeakPolarHBondContact O-CD1 3.31Å; V391-I432 HydrophobicContact CG2-CB 4.09Å; V391-I432 HydrophobicContact CG2-CG1 3.62Å; V391-I432 HydrophobicContact CG2-CG2 4.46Å; L413-I432 HydrophobicContact CB-CD1 4.25Å; L413-I432 HydrophobicContact CB-CG1 4.23Å; L413-I432 HydrophobicContact CD1-CD1 4.2Å; L413-I432 HydrophobicContact CD1-CG1 3.97Å; L413-I432 HydrophobicContact CG-CD1 3.87Å; L413-I432 HydrophobicContact CG-CG1 4.08Å; A428-I432 WeakPolarHBondContact O-CB 3.5Å; A428-I432 WeakPolarHBondContact O-CG1 3.33Å; A428-I432 PolarHBondContact O-N 2.91Å; L429-I432 PolarHBondContact O-N 2.91Å; I432-Y438 HydrophobicContact CD1-CD1 3.49Å; I432-Y438 VanDerWaalsContact CD1-CD1 3.49Å; I432-Y438 HydrophobicContact CD1-CD2 3.86Å; I432-Y438 HydrophobicContact CD1-CE1 3.94Å; I432-Y438 HydrophobicContact CD1-CE2 4.27Å; I432-Y438 HydrophobicContact CD1-CG 3.46Å; I432-Y438 VanDerWaalsContact CD1-CG 3.46Å
433	I	98.2	Very high	98.4	Very high	37 Å²	37	56.9 Å²	56.9	19%	0.19	29%	0.286	C	S	.	.	H	α-helix	trans	-80.2	-40	-176	-68.1	169	0	0	0	111.8	V305 Q333 K369 A370 L429 A431	V305-I433 HydrophobicContact CG2-CD1 3.96Å; Q333-I433 HydrophobicContact CG-CD1 4.36Å; K369-I433 HydrophobicContact CB-CG1 4.3Å; K369-I433 HydrophobicContact CB-CG2 4.4Å; A370-I433 HydrophobicContact CB-CD1 4.41Å; A370-I433 HydrophobicContact CB-CG1 3.89Å; L429-I433 VanDerWaalsContact O-CB 3.31Å; L429-I433 WeakPolarHBondContact O-CB 3.27Å; L429-I433 WeakPolarHBondContact O-CD1 3.34Å; L429-I433 VanDerWaalsContact O-CG1 3.22Å; L429-I433 WeakPolarHBondContact O-CG1 3.41Å; L429-I433 PolarHBondContact O-N 3.46Å; A431-I433 VanDerWaalsContact C-N 3.26Å; A431-I433 PolarHBondContact O-N 2.91Å
434	N	97.8	Very high	98.5	Very high	115 Å²	115	56.2 Å²	56.2	62%	0.615	28%	0.279	S	S	*	.	H	α-helix	trans	-100.3	-22.4	-168.1	-59.2	-51.7	0	0	0	114.1	K430 A431 P436	K430-N434 VanDerWaalsContact O-CB 3.25Å; K430-N434 WeakPolarHBondContact O-CB 3.29Å; K430-N434 PolarHBondContact O-N 2.89Å; K430-N434 PolarHBondContact O-ND2 3.34Å; A431-N434 PolarHBondContact O-N 3.47Å; N434-P436 WeakPolarHBondContact O-CD 3.31Å
435	E	98.4	Very high	98.5	Very high	90 Å²	90	52.6 Å²	52.6	42%	0.421	26%	0.259	S	S	.	.			trans	-86.4	116.6	178.2	-65.4	175.2	-146.5	0	0	110.4	A431 Y437 Y438	A431-E435 WeakPolarHBondContact CB-OE1 3.43Å; A431-E435 VanDerWaalsContact O-CB 3.29Å; A431-E435 WeakPolarHBondContact O-CB 3.21Å; A431-E435 PolarHBondContact O-N 3.33Å; E435-Y437 PolarHBondContact O-N 3.03Å; E435-Y437 VanDerWaalsContact O-N 3.1Å; E435-Y438 HydrophobicContact CB-CD2 3.88Å; E435-Y438 HydrophobicContact CB-CE2 3.94Å; E435-Y438 HydrophobicContact CG-CE2 4.49Å; E435-Y438 PolarHBondContact O-N 2.96Å; E435-Y438 WeakPolarHBondContact OE2-CE2 3.22Å
436	P	97.9	Very high	98.5	Very high	84 Å²	84	53.1 Å²	53.1	55%	0.545	26%	0.263	S	S	.	.	H	α-helix	trans	-58.1	-30.4	-176.3	-26.2	35.3	0	0	0	113.7	N434 Y438 K439 E440	N434-P436 WeakPolarHBondContact O-CD 3.31Å; P436-Y438 VanDerWaalsContact C-N 3.26Å; P436-Y438 PolarHBondContact O-N 3.45Å; P436-Y438 VanDerWaalsContact O-N 3.15Å; P436-K439 PolarHBondContact O-N 3.43Å; P436-K439 VanDerWaalsContact O-N 3.1Å; P436-E440 WeakPolarHBondContact O-CB 3.22Å; P436-E440 WeakPolarHBondContact O-CG 3.33Å; P436-E440 PolarHBondContact O-N 2.93Å
437	Y	98.5	Very high	98.5	Very high	123 Å²	123	58.7 Å²	58.7	48%	0.482	28%	0.283	S	S	.	.	H	α-helix	trans	-47.1	-44.8	-179.7	174.3	-100.4	0	0	0	113.3	E435 N441	E435-Y437 PolarHBondContact O-N 3.03Å; E435-Y437 VanDerWaalsContact O-N 3.1Å; Y437-N441 WeakPolarHBondContact CD2-ND2 3.49Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.42Å; Y437-N441 VanDerWaalsContact CZ-ND2 3.32Å; Y437-N441 WeakPolarHBondContact O-CB 3.39Å; Y437-N441 PolarHBondContact O-N 3.33Å; Y437-N441 VanDerWaalsContact O-N 3.12Å; Y437-N441 PolarHBondContact O-ND2 3.35Å
438	Y	98.7	Very high	98.4	Very high	30 Å²	30	58.2 Å²	58.2	12%	0.118	27%	0.274	C	S	.	.	H	α-helix	trans	-71.9	-43.2	-177.7	-60.4	-75.1	0	0	0	112.2	G410 L413 A431 I432 E435 P436 N441 A442	G410-Y438 WeakPolarHBondContact O-CA 3.49Å; G410-Y438 VanDerWaalsContact O-CD1 3.28Å; G410-Y438 WeakPolarHBondContact O-CD1 3.28Å; L413-Y438 HydrophobicContact CD2-CE1 4.09Å; L413-Y438 WeakPolarHBondContact CD2-OH 3.34Å; L413-Y438 HydrophobicContact CG-CE1 4.02Å; A431-Y438 HydrophobicContact CB-CE2 4.38Å; I432-Y438 HydrophobicContact CD1-CD1 3.49Å; I432-Y438 VanDerWaalsContact CD1-CD1 3.49Å; I432-Y438 HydrophobicContact CD1-CD2 3.86Å; I432-Y438 HydrophobicContact CD1-CE1 3.94Å; I432-Y438 HydrophobicContact CD1-CE2 4.27Å; I432-Y438 HydrophobicContact CD1-CG 3.46Å; I432-Y438 VanDerWaalsContact CD1-CG 3.46Å; E435-Y438 HydrophobicContact CB-CD2 3.88Å; E435-Y438 HydrophobicContact CB-CE2 3.94Å; E435-Y438 HydrophobicContact CG-CE2 4.49Å; E435-Y438 PolarHBondContact O-N 2.96Å; E435-Y438 WeakPolarHBondContact OE2-CE2 3.22Å; P436-Y438 VanDerWaalsContact C-N 3.26Å; P436-Y438 PolarHBondContact O-N 3.45Å; P436-Y438 VanDerWaalsContact O-N 3.15Å; Y438-N441 PolarHBondContact O-N 3.21Å; Y438-A442 WeakPolarHBondContact O-CB 3.32Å; Y438-A442 PolarHBondContact O-N 2.87Å
439	K	98.4	Very high	98.4	Very high	77 Å²	77	58.1 Å²	58.1	34%	0.335	27%	0.273	S	S	.	.	H	α-helix	trans	-66.9	-41.6	178.8	-178.5	60.5	178.2	178.9	0	111.1	G387 P389 P436 N441 A442 M443	G387-K439 PolarHBondContact O-NZ 3.49Å; P389-K439 HydrophobicContact CG-CD 4.45Å; P436-K439 PolarHBondContact O-N 3.43Å; P436-K439 VanDerWaalsContact O-N 3.1Å; K439-N441 PolarHBondContact O-N 3.05Å; K439-A442 PolarHBondContact O-N 3.35Å; K439-M443 HydrophobicContact CD-CG 4.18Å; K439-M443 HydrophobicContact CG-CG 4.42Å; K439-M443 WeakPolarHBondContact O-CB 3.48Å; K439-M443 VanDerWaalsContact O-CG 3.25Å; K439-M443 WeakPolarHBondContact O-CG 3.46Å; K439-M443 PolarHBondContact O-N 3.39Å
440	E	98.7	Very high	98.3	Very high	130 Å²	130	62.7 Å²	62.7	61%	0.607	29%	0.294	S	S	*	.	H	α-helix	trans	-61.1	-44.5	176.9	-73.9	174.9	-170.3	0	0	111.8	P436 M443 R444	P436-E440 WeakPolarHBondContact O-CB 3.22Å; P436-E440 WeakPolarHBondContact O-CG 3.33Å; P436-E440 PolarHBondContact O-N 2.93Å; E440-M443 PolarHBondContact O-N 3.46Å; E440-R444 WeakPolarHBondContact O-CB 3.31Å; E440-R444 PolarHBondContact O-N 3.38Å
441	N	98.8	Very high	98.1	Very high	26 Å²	26	64.6 Å²	64.6	14%	0.139	31%	0.305	C	S	.	.	H	α-helix	trans	-66.7	-42.6	175.6	-80.6	-58.2	0	0	0	112.4	G410 Y437 Y438 K439 M443 R444 L445	G410-N441 WeakPolarHBondContact O-CB 3.24Å; Y437-N441 WeakPolarHBondContact CD2-ND2 3.49Å; Y437-N441 WeakPolarHBondContact CE2-ND2 3.42Å; Y437-N441 VanDerWaalsContact CZ-ND2 3.32Å; Y437-N441 WeakPolarHBondContact O-CB 3.39Å; Y437-N441 PolarHBondContact O-N 3.33Å; Y437-N441 VanDerWaalsContact O-N 3.12Å; Y437-N441 PolarHBondContact O-ND2 3.35Å; Y438-N441 PolarHBondContact O-N 3.21Å; K439-N441 PolarHBondContact O-N 3.05Å; N441-M443 VanDerWaalsContact C-N 3.34Å; N441-M443 PolarHBondContact O-N 3.18Å; N441-R444 WeakPolarHBondContact O-CB 3.43Å; N441-R444 PolarHBondContact O-N 3.41Å; N441-R444 VanDerWaalsContact O-N 3.16Å; N441-L445 WeakPolarHBondContact O-CG 3.44Å; N441-L445 PolarHBondContact O-N 2.97Å
442	A	98.7	Very high	97.8	Very high	2 Å²	2	64.9 Å²	64.9	2%	0.017	30%	0.303	C	S	.	.	H	α-helix	trans	-60.3	-43.3	175.1	0	0	0	0	0	111.8	P389 A411 Y438 K439 R444 L445 S446	P389-A442 HydrophobicContact CB-CB 4.2Å; A411-A442 HydrophobicContact CB-CB 4.43Å; Y438-A442 WeakPolarHBondContact O-CB 3.32Å; Y438-A442 PolarHBondContact O-N 2.87Å; K439-A442 PolarHBondContact O-N 3.35Å; A442-R444 VanDerWaalsContact C-N 3.34Å; A442-R444 PolarHBondContact O-N 3.2Å; A442-L445 PolarHBondContact O-N 3.43Å; A442-S446 PolarHBondContact O-N 3.44Å
443	M	98.6	Very high	97.6	Very high	72 Å²	72	70.6 Å²	70.6	36%	0.355	34%	0.34	S	S	.	.	H	α-helix	trans	-65.9	-34.7	174.6	-70.2	-60.3	-59.8	0	0	112.5	K439 E440 N441 S446 R447	K439-M443 HydrophobicContact CD-CG 4.18Å; K439-M443 HydrophobicContact CG-CG 4.42Å; K439-M443 WeakPolarHBondContact O-CB 3.48Å; K439-M443 VanDerWaalsContact O-CG 3.25Å; K439-M443 WeakPolarHBondContact O-CG 3.46Å; K439-M443 PolarHBondContact O-N 3.39Å; E440-M443 PolarHBondContact O-N 3.46Å; N441-M443 VanDerWaalsContact C-N 3.34Å; N441-M443 PolarHBondContact O-N 3.18Å; M443-S446 WeakPolarHBondContact O-CB 3.37Å; M443-S446 PolarHBondContact O-N 2.96Å; M443-R447 WeakPolarHBondContact O-CG 3.35Å; M443-R447 PolarHBondContact O-N 3.2Å
444	R	98.6	Very high	97.4	Very high	98 Å²	98	72.3 Å²	72.3	37%	0.37	35%	0.352	S	S	.	.	H	α-helix	trans	-62.6	-45.8	173.1	-174.8	-175.9	70.5	83.4	-0.6	111.2	E440 N441 A442 S446 R447 I448	E440-R444 WeakPolarHBondContact O-CB 3.31Å; E440-R444 PolarHBondContact O-N 3.38Å; N441-R444 WeakPolarHBondContact O-CB 3.43Å; N441-R444 PolarHBondContact O-N 3.41Å; N441-R444 VanDerWaalsContact O-N 3.16Å; A442-R444 VanDerWaalsContact C-N 3.34Å; A442-R444 PolarHBondContact O-N 3.2Å; R444-S446 VanDerWaalsContact C-N 3.34Å; R444-R447 PolarHBondContact O-N 2.85Å; R444-I448 HydrophobicContact CG-CD1 4.34Å; R444-I448 WeakPolarHBondContact O-CG1 3.44Å; R444-I448 PolarHBondContact O-N 2.85Å; R444-I448 VanDerWaalsContact O-N 3.16Å
445	L	98.4	Very high	97.3	Very high	2 Å²	2	73.9 Å²	73.9	1%	0.01	35%	0.353	C	S	.	.	H	α-helix	trans	-63.5	-41	175.8	-62.6	-178.9	0	0	0	111.4	D263 I384 L406 K409 A411 N441 A442 R447 I448 H449	D263-L445 WeakPolarHBondContact O-CD2 3.38Å; I384-L445 HydrophobicContact CG2-CB 4.07Å; L406-L445 HydrophobicContact CD2-CD1 4.31Å; K409-L445 HydrophobicContact CB-CD1 4.25Å; K409-L445 HydrophobicContact CD-CD1 4.31Å; K409-L445 HydrophobicContact CD-CD2 4.09Å; A411-L445 HydrophobicContact CB-CD1 3.82Å; N441-L445 WeakPolarHBondContact O-CG 3.44Å; N441-L445 PolarHBondContact O-N 2.97Å; A442-L445 PolarHBondContact O-N 3.43Å; L445-R447 PolarHBondContact O-N 3.45Å; L445-I448 PolarHBondContact O-N 3.49Å; L445-H449 WeakPolarHBondContact O-CB 3.48Å; L445-H449 PolarHBondContact O-N 2.91Å
446	S	98.5	Very high	97.2	Very high	11 Å²	11	70.2 Å²	70.2	8%	0.077	34%	0.337	C	S	.	.	H	α-helix	trans	-56.3	-48.7	173.6	-178.7	0	0	0	0	112	I384 Y385 A442 M443 R444 I448 H449 H450	I384-S446 WeakPolarHBondContact O-CA 3.39Å; I384-S446 WeakPolarHBondContact O-CB 3.28Å; I384-S446 PolarHBondContact O-OG 2.63Å; Y385-S446 PolarHBondContact O-OG 3.32Å; A442-S446 PolarHBondContact O-N 3.44Å; M443-S446 WeakPolarHBondContact O-CB 3.37Å; M443-S446 PolarHBondContact O-N 2.96Å; R444-S446 VanDerWaalsContact C-N 3.34Å; S446-I448 PolarHBondContact O-N 3.42Å; S446-H449 WeakPolarHBondContact O-CB 3.49Å; S446-H449 PolarHBondContact O-N 2.68Å; S446-H449 VanDerWaalsContact O-N 3.13Å; S446-H450 PolarHBondContact O-CD2 3.29Å; S446-H450 PolarHBondContact O-N 2.95Å
447	R	98.3	Very high	97.2	Very high	130 Å²	130	67.6 Å²	67.6	49%	0.491	32%	0.319	S	S	.	.	H	α-helix	trans	-57.2	-48.5	176.6	-71.9	-170.2	-59.3	-92	3.7	111.8	M443 R444 L445 H449 H450 E451	M443-R447 WeakPolarHBondContact O-CG 3.35Å; M443-R447 PolarHBondContact O-N 3.2Å; R444-R447 PolarHBondContact O-N 2.85Å; L445-R447 PolarHBondContact O-N 3.45Å; R447-H449 VanDerWaalsContact C-N 3.27Å; R447-H449 PolarHBondContact O-N 2.83Å; R447-H450 PolarHBondContact O-N 3.49Å; R447-E451 VanDerWaalsContact O-CB 3.31Å; R447-E451 WeakPolarHBondContact O-CB 2.94Å; R447-E451 VanDerWaalsContact O-CG 3.25Å; R447-E451 WeakPolarHBondContact O-CG 3.37Å; R447-E451 PolarHBondContact O-N 3.47Å
448	I	97.4	Very high	97.2	Very high	61 Å²	61	64.3 Å²	64.3	31%	0.313	31%	0.309	S	S	.	.	H	α-helix	trans	-59.7	-39.9	177.5	-64.1	165.8	0	0	0	111.1	D263 R444 L445 S446 E451	D263-I448 HydrophobicContact CB-CB 4.47Å; D263-I448 HydrophobicContact CB-CG2 4.02Å; R444-I448 HydrophobicContact CG-CD1 4.34Å; R444-I448 WeakPolarHBondContact O-CG1 3.44Å; R444-I448 PolarHBondContact O-N 2.85Å; R444-I448 VanDerWaalsContact O-N 3.16Å; L445-I448 PolarHBondContact O-N 3.49Å; S446-I448 PolarHBondContact O-N 3.42Å; I448-E451 PolarHBondContact O-N 3.45Å
449	H	97.4	Very high	97.1	Very high	7 Å²	7	64.9 Å²	64.9	3%	0.032	31%	0.313	C	S	.	.	H	α-helix	trans	-62.8	-42.4	178.1	-174.3	75.1	0	0	0	112.4	D263 Y381 I384 Y385 L445 S446 R447 Q452	D263-H449 VanDerWaalsContact OD2-CB 3.3Å; D263-H449 WeakPolarHBondContact OD2-CB 3.3Å; D263-H449 IonicContact OD2-CE1 3.86Å; D263-H449 IonicContact OD2-CG 3.85Å; D263-H449 IonicContact OD2-ND1 3.43Å; D263-H449 PolarHBondContact OD2-ND1 3.32Å; Y381-H449 AromaticContact CD1-CE1 3.98Å; I384-H449 HydrophobicContact CG2-CB 3.82Å; Y385-H449 AromaticContact CD2-CD2 3.55Å; Y385-H449 AromaticContact CD2-NE2 3.6Å; L445-H449 WeakPolarHBondContact O-CB 3.48Å; L445-H449 PolarHBondContact O-N 2.91Å; S446-H449 WeakPolarHBondContact O-CB 3.49Å; S446-H449 PolarHBondContact O-N 2.68Å; S446-H449 VanDerWaalsContact O-N 3.13Å; R447-H449 VanDerWaalsContact C-N 3.27Å; R447-H449 PolarHBondContact O-N 2.83Å; H449-Q452 WeakPolarHBondContact O-CG 3.39Å; H449-Q452 PolarHBondContact O-NE2 3.33Å
450	H	96.8	Very high	97.1	Very high	96 Å²	96	61.2 Å²	61.2	44%	0.444	30%	0.297	S	S	.	.	H	α-helix	trans	-78	-28.4	179.5	-74	-73	0	0	0	113.3	Y385 S446 R447 Q452	Y385-H450 AromaticContact CD2-CE1 3.62Å; Y385-H450 AromaticContact CE1-CE1 3.76Å; Y385-H450 AromaticContact CE2-CE1 3.29Å; Y385-H450 WeakPolarHBondContact CE2-CE1 3.34Å; Y385-H450 AromaticContact CE2-ND1 3.95Å; Y385-H450 AromaticContact CG-CE1 3.99Å; Y385-H450 AromaticContact CZ-CE1 3.37Å; Y385-H450 PolarHBondContact O-NE2 2.97Å; S446-H450 PolarHBondContact O-CD2 3.29Å; S446-H450 PolarHBondContact O-N 2.95Å; R447-H450 PolarHBondContact O-N 3.49Å; H450-Q452 PolarHBondContact O-N 2.91Å; H450-Q452 VanDerWaalsContact O-N 3.07Å
451	E	95.2	Very high	97.1	Very high	148 Å²	148	55 Å²	55	69%	0.692	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	27.4	179.6	-71.8	174.3	-179.6	0	0	113.5	R447 I448	R447-E451 VanDerWaalsContact O-CB 3.31Å; R447-E451 WeakPolarHBondContact O-CB 2.94Å; R447-E451 VanDerWaalsContact O-CG 3.25Å; R447-E451 WeakPolarHBondContact O-CG 3.37Å; R447-E451 PolarHBondContact O-N 3.47Å; I448-E451 PolarHBondContact O-N 3.45Å
452	Q	92.7	Very high	97	Very high	22 Å²	22	58.3 Å²	58.3	10%	0.103	28%	0.281	C	S	.	.			trans	-77.5	140.7	172.3	-68.9	-176.8	60.7	0	0	110.9	Y261 H449 H450 V454	Y261-Q452 HydrophobicContact CD1-CG 4.09Å; Y261-Q452 HydrophobicContact CE1-CG 3.42Å; Y261-Q452 VanDerWaalsContact CE1-CG 3.42Å; Y261-Q452 VanDerWaalsContact CZ-OE1 3.27Å; H449-Q452 WeakPolarHBondContact O-CG 3.39Å; H449-Q452 PolarHBondContact O-NE2 3.33Å; H450-Q452 PolarHBondContact O-N 2.91Å; H450-Q452 VanDerWaalsContact O-N 3.07Å; Q452-V454 PolarHBondContact O-N 2.88Å
453	P	92.8	Very high	97	Very high	121 Å²	121	59.8 Å²	59.8	79%	0.786	29%	0.286	S	S	*	.	S	Bend	trans	-64.6	-28.1	-178.1	25.8	-34.7	0	0	0	113
454	V	95.5	Very high	97	Very high	73 Å²	73	56.4 Å²	56.4	44%	0.442	27%	0.269	S	S	.	.	S	Bend	trans	-135.9	138.2	176.3	-175.8	0	0	0	0	107.4	Q452 D458 K459	Q452-V454 PolarHBondContact O-N 2.88Å; V454-D458 HydrophobicContact CG1-CB 3.99Å; V454-K459 HydrophobicContact CG1-CB 4.03Å
455	K	95.6	Very high	97	Very high	148 Å²	148	52.9 Å²	52.9	64%	0.643	26%	0.257	S	S	*	.			trans	-61.3	142	176.6	-63.5	179.6	-179	171.3	0	110	L457 D458 K459	K455-L457 VanDerWaalsContact C-N 3.3Å; K455-L457 PolarHBondContact O-N 2.81Å; K455-D458 HydrophobicContact CB-CB 4.32Å; K455-D458 WeakPolarHBondContact CB-OD2 3.35Å; K455-D458 PolarHBondContact O-N 3.27Å; K455-D458 VanDerWaalsContact O-N 3.14Å; K455-K459 PolarHBondContact O-N 3.25Å
456	P	96.7	Very high	96.9	Very high	13 Å²	13	54.5 Å²	54.5	8%	0.084	26%	0.264	C	S	.	.	H	α-helix	trans	-56.3	-39.7	-175.9	-27.5	33.8	0	0	0	114.4	G278 L280 K459 A460	G278-P456 WeakPolarHBondContact O-CB 3.23Å; G278-P456 WeakPolarHBondContact O-CG 3.34Å; L280-P456 HydrophobicContact CB-CB 3.99Å; P456-K459 PolarHBondContact O-N 3.48Å; P456-A460 PolarHBondContact O-N 2.75Å
457	L	97.5	Very high	96.9	Very high	30 Å²	30	54 Å²	54	16%	0.157	26%	0.261	C	S	.	.	H	α-helix	trans	-66	-46.7	177.1	-180	57.2	0	0	0	112.2	T41 I42 E45 L280 K455 K459 A460 V461	T41-L457 HydrophobicContact CG2-CD1 4.05Å; T41-L457 HydrophobicContact CG2-CD2 3.89Å; I42-L457 HydrophobicContact CG1-CD1 4.21Å; E45-L457 HydrophobicContact CB-CD1 4.12Å; E45-L457 HydrophobicContact CB-CD2 4.12Å; E45-L457 HydrophobicContact CB-CG 4.25Å; E45-L457 HydrophobicContact CG-CD1 4.45Å; E45-L457 HydrophobicContact CG-CD2 4.21Å; E45-L457 HydrophobicContact CG-CG 4.16Å; L280-L457 HydrophobicContact CB-CB 4.23Å; K455-L457 VanDerWaalsContact C-N 3.3Å; K455-L457 PolarHBondContact O-N 2.81Å; L457-K459 PolarHBondContact O-N 2.84Å; L457-A460 PolarHBondContact O-N 3.47Å; L457-V461 HydrophobicContact CD1-CG2 4.19Å; L457-V461 WeakPolarHBondContact O-CG2 3.41Å; L457-V461 PolarHBondContact O-N 3.01Å
458	D	97.4	Very high	96.8	Very high	53 Å²	53	47.9 Å²	47.9	28%	0.283	24%	0.238	S	C	.	.	H	α-helix	trans	-60.5	-38.8	177.4	-69.6	-41.3	0	0	0	111.2	R49 V454 K455 F462	R49-D458 IonicContact NH2-OD1 3.35Å; R49-D458 PolarHBondContact NH2-OD1 2.88Å; V454-D458 HydrophobicContact CG1-CB 3.99Å; K455-D458 HydrophobicContact CB-CB 4.32Å; K455-D458 WeakPolarHBondContact CB-OD2 3.35Å; K455-D458 PolarHBondContact O-N 3.27Å; K455-D458 VanDerWaalsContact O-N 3.14Å; D458-F462 WeakPolarHBondContact O-CB 3.48Å; D458-F462 PolarHBondContact O-N 3.09Å
459	K	97.7	Very high	96.7	Very high	43 Å²	43	49.4 Å²	49.4	19%	0.187	24%	0.239	C	C	.	.	H	α-helix	trans	-64.7	-45.4	176.1	-172.7	179.6	-179.2	-163.6	0	112.1	E275 F276 V277 V454 K455 P456 L457 F462 W463	E275-K459 WeakPolarHBondContact OE2-CE 3.44Å; E275-K459 IonicContact OE2-NZ 3.15Å; E275-K459 PolarHBondContact OE2-NZ 3.2Å; F276-K459 PolarHBondContact O-NZ 3.45Å; V277-K459 HydrophobicContact CG1-CB 4.26Å; V277-K459 HydrophobicContact CG1-CD 4.13Å; V277-K459 HydrophobicContact CG1-CG 4.15Å; V454-K459 HydrophobicContact CG1-CB 4.03Å; K455-K459 PolarHBondContact O-N 3.25Å; P456-K459 PolarHBondContact O-N 3.48Å; L457-K459 PolarHBondContact O-N 2.84Å; K459-F462 PolarHBondContact O-N 3.08Å; K459-W463 PolarHBondContact O-N 2.88Å
460	A	98.2	Very high	96.7	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	26%	0.261	C	S	.	.	H	α-helix	trans	-59.4	-49.4	176.7	0	0	0	0	0	111.5	I42 L257 V277 P456 L457 W463 I464	I42-A460 HydrophobicContact CD1-CB 4.28Å; I42-A460 HydrophobicContact CG1-CB 4.39Å; L257-A460 HydrophobicContact CD1-CB 3.96Å; L257-A460 HydrophobicContact CD2-CB 4.34Å; V277-A460 HydrophobicContact CB-CB 4.38Å; V277-A460 HydrophobicContact CG1-CB 4.08Å; V277-A460 HydrophobicContact CG2-CB 4.5Å; P456-A460 PolarHBondContact O-N 2.75Å; L457-A460 PolarHBondContact O-N 3.47Å; A460-W463 PolarHBondContact O-N 2.83Å; A460-I464 WeakPolarHBondContact O-CG1 3.35Å; A460-I464 PolarHBondContact O-N 2.95Å
461	V	97.9	Very high	96.5	Very high	0 Å²	0	55 Å²	55	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-66.1	-41.2	-179.5	172.6	0	0	0	0	111.6	I42 E45 L46 L457 W463 I464 E465	I42-V461 HydrophobicContact CG2-CG2 4.16Å; E45-V461 HydrophobicContact CB-CG2 4.07Å; E45-V461 HydrophobicContact CG-CG2 3.77Å; L46-V461 HydrophobicContact CD2-CG1 3.84Å; L46-V461 HydrophobicContact CG-CG2 4.44Å; L457-V461 HydrophobicContact CD1-CG2 4.19Å; L457-V461 WeakPolarHBondContact O-CG2 3.41Å; L457-V461 PolarHBondContact O-N 3.01Å; V461-W463 VanDerWaalsContact C-N 3.28Å; V461-W463 PolarHBondContact O-N 3.42Å; V461-I464 PolarHBondContact O-N 3.17Å; V461-E465 HydrophobicContact CG1-CG 4.23Å; V461-E465 WeakPolarHBondContact CG1-OE1 3.16Å; V461-E465 WeakPolarHBondContact O-CG 3.31Å; V461-E465 PolarHBondContact O-N 3.41Å
462	F	97.8	Very high	96.6	Very high	94 Å²	94	48.3 Å²	48.3	41%	0.412	24%	0.238	S	C	.	.	H	α-helix	trans	-53.3	-46.1	175	168.8	-94.4	0	0	0	112.1	D458 K459 E465 F466 R469	D458-F462 WeakPolarHBondContact O-CB 3.48Å; D458-F462 PolarHBondContact O-N 3.09Å; K459-F462 PolarHBondContact O-N 3.08Å; F462-E465 PolarHBondContact O-N 3.08Å; F462-F466 HydrophobicContact CE1-CB 4.5Å; F462-F466 HydrophobicContact CZ-CD2 4.25Å; F462-F466 VanDerWaalsContact O-CB 3.26Å; F462-F466 WeakPolarHBondContact O-CB 3.27Å; F462-F466 PolarHBondContact O-N 3.5Å; F462-R469 PolarHBondContact O-NH2 3.3Å
463	W	98.3	Very high	96.8	Very high	34 Å²	34	47.3 Å²	47.3	13%	0.129	23%	0.233	C	C	.	.	H	α-helix	trans	-71	-34.8	-178.5	-79.6	116.7	0	0	0	113.2	I255 L257 E275 K459 A460 V461 F466 V467 L476	I255-W463 HydrophobicContact CD1-CD2 4Å; I255-W463 HydrophobicContact CD1-CE3 3.48Å; I255-W463 VanDerWaalsContact CD1-CE3 3.48Å; I255-W463 HydrophobicContact CD1-CZ3 3.79Å; I255-W463 HydrophobicContact CG1-CB 4.3Å; I255-W463 HydrophobicContact CG1-CD2 4.34Å; I255-W463 HydrophobicContact CG1-CE3 3.88Å; I255-W463 HydrophobicContact CG2-CB 4.07Å; I255-W463 HydrophobicContact CG2-CG 4.3Å; L257-W463 HydrophobicContact CD2-CB 4.28Å; E275-W463 HydrophobicContact CG-CD2 4.2Å; E275-W463 HydrophobicContact CG-CG 4.17Å; E275-W463 HydrophobicContact CG-CZ2 4.19Å; E275-W463 VanDerWaalsContact CG-NE1 3.25Å; E275-W463 WeakPolarHBondContact OE1-CZ2 3.35Å; E275-W463 PolarHBondContact OE1-NE1 3.44Å; K459-W463 PolarHBondContact O-N 2.88Å; A460-W463 PolarHBondContact O-N 2.83Å; V461-W463 VanDerWaalsContact C-N 3.28Å; V461-W463 PolarHBondContact O-N 3.42Å; W463-F466 HydrophobicContact CE3-CB 4.05Å; W463-F466 AromaticContact CE3-CD1 3.88Å; W463-F466 HydrophobicContact CE3-CD1 3.88Å; W463-F466 AromaticContact CE3-CG 3.96Å; W463-F466 HydrophobicContact CE3-CG 3.96Å; W463-F466 AromaticContact CZ3-CD1 3.78Å; W463-F466 HydrophobicContact CZ3-CD1 3.78Å; W463-F466 HydrophobicContact CZ3-CD2 4.38Å; W463-F466 HydrophobicContact CZ3-CE1 4.01Å; W463-F466 AromaticContact CZ3-CG 3.98Å; W463-F466 HydrophobicContact CZ3-CG 3.98Å; W463-F466 HydrophobicContact CZ3-CZ 4.4Å; W463-F466 WeakPolarHBondContact O-CB 3.29Å; W463-F466 PolarHBondContact O-N 3.35Å; W463-V467 WeakPolarHBondContact O-CG2 3.39Å; W463-V467 PolarHBondContact O-N 3.09Å; W463-L476 HydrophobicContact CH2-CD1 3.73Å; W463-L476 HydrophobicContact CZ3-CD1 3.54Å
464	I	98.5	Very high	96.9	Very high	0 Å²	0	49.4 Å²	49.4	0%	0	23%	0.23	C	C	.	.	H	α-helix	trans	-63.2	-49.1	172.5	-66.6	165.6	0	0	0	110.1	I42 L46 V147 V149 V169 L257 A460 V461 F466 V467 M468	I42-I464 HydrophobicContact CG2-CD1 3.44Å; I42-I464 VanDerWaalsContact CG2-CD1 3.44Å; L46-I464 HydrophobicContact CD1-CD1 4.23Å; L46-I464 HydrophobicContact CD1-CG2 4.24Å; L46-I464 HydrophobicContact CD2-CG2 4.16Å; V147-I464 HydrophobicContact CG1-CG2 3.99Å; V149-I464 HydrophobicContact CG2-CD1 3.94Å; V149-I464 HydrophobicContact CG2-CG1 4.26Å; V149-I464 HydrophobicContact CG2-CG2 4.18Å; V169-I464 HydrophobicContact CB-CG1 4.39Å; V169-I464 HydrophobicContact CG1-CG1 4.2Å; V169-I464 HydrophobicContact CG2-CG1 4.33Å; L257-I464 HydrophobicContact CD1-CD1 4.06Å; L257-I464 HydrophobicContact CD1-CG1 4.18Å; A460-I464 WeakPolarHBondContact O-CG1 3.35Å; A460-I464 PolarHBondContact O-N 2.95Å; V461-I464 PolarHBondContact O-N 3.17Å; I464-F466 VanDerWaalsContact C-N 3.28Å; I464-F466 PolarHBondContact O-N 2.65Å; I464-V467 PolarHBondContact O-N 2.91Å; I464-M468 WeakPolarHBondContact O-CB 3.08Å; I464-M468 PolarHBondContact O-N 3.45Å
465	E	97.9	Very high	96.9	Very high	25 Å²	25	52.4 Å²	52.4	12%	0.117	24%	0.238	C	C	.	.	H	α-helix	trans	-64.8	-32.9	176	-65.1	173.3	-173	0	0	112	R49 H51 V461 F462 M468 R469	R49-E465 WeakPolarHBondContact CD-OE1 3.12Å; R49-E465 IonicContact NH1-OE1 2.92Å; R49-E465 PolarHBondContact NH1-OE1 3.16Å; R49-E465 VanDerWaalsContact NH1-OE1 3.15Å; H51-E465 IonicContact NE2-OE1 2.68Å; V461-E465 HydrophobicContact CG1-CG 4.23Å; V461-E465 WeakPolarHBondContact CG1-OE1 3.16Å; V461-E465 WeakPolarHBondContact O-CG 3.31Å; V461-E465 PolarHBondContact O-N 3.41Å; F462-E465 PolarHBondContact O-N 3.08Å; E465-M468 WeakPolarHBondContact O-CB 3.4Å; E465-M468 PolarHBondContact O-N 2.91Å; E465-R469 VanDerWaalsContact CB-NH1 3.27Å; E465-R469 WeakPolarHBondContact O-CB 3.24Å; E465-R469 VanDerWaalsContact O-CG 3.26Å; E465-R469 WeakPolarHBondContact O-CG 3.47Å; E465-R469 PolarHBondContact O-N 3.37Å; E465-R469 PolarHBondContact O-NE 3.31Å; E465-R469 IonicContact OE2-CZ 3.85Å; E465-R469 IonicContact OE2-NH1 3.73Å; E465-R469 PolarHBondContact OE2-NH1 3.04Å; E465-R469 IonicContact OE2-NH2 3.48Å
466	F	97.8	Very high	96.9	Very high	36 Å²	36	46.8 Å²	46.8	16%	0.158	22%	0.215	C	C	.	.	H	α-helix	trans	-61.9	-48.6	176.5	178.4	-85.5	0	0	0	110.9	F462 W463 I464 M468 R469 N470 A473 H475	F462-F466 HydrophobicContact CE1-CB 4.5Å; F462-F466 HydrophobicContact CZ-CD2 4.25Å; F462-F466 VanDerWaalsContact O-CB 3.26Å; F462-F466 WeakPolarHBondContact O-CB 3.27Å; F462-F466 PolarHBondContact O-N 3.5Å; W463-F466 HydrophobicContact CE3-CB 4.05Å; W463-F466 AromaticContact CE3-CD1 3.88Å; W463-F466 HydrophobicContact CE3-CD1 3.88Å; W463-F466 AromaticContact CE3-CG 3.96Å; W463-F466 HydrophobicContact CE3-CG 3.96Å; W463-F466 AromaticContact CZ3-CD1 3.78Å; W463-F466 HydrophobicContact CZ3-CD1 3.78Å; W463-F466 HydrophobicContact CZ3-CD2 4.38Å; W463-F466 HydrophobicContact CZ3-CE1 4.01Å; W463-F466 AromaticContact CZ3-CG 3.98Å; W463-F466 HydrophobicContact CZ3-CG 3.98Å; W463-F466 HydrophobicContact CZ3-CZ 4.4Å; W463-F466 WeakPolarHBondContact O-CB 3.29Å; W463-F466 PolarHBondContact O-N 3.35Å; I464-F466 VanDerWaalsContact C-N 3.28Å; I464-F466 PolarHBondContact O-N 2.65Å; F466-M468 VanDerWaalsContact C-N 3.3Å; F466-M468 PolarHBondContact O-N 2.91Å; F466-R469 PolarHBondContact O-N 3.49Å; F466-N470 WeakPolarHBondContact O-CB 3.47Å; F466-N470 PolarHBondContact O-N 2.96Å; F466-N470 PolarHBondContact O-ND2 3.26Å; F466-A473 HydrophobicContact CD1-CB 4.26Å; F466-A473 HydrophobicContact CE1-CB 3.89Å; F466-H475 AromaticContact CE1-CE1 3.84Å; F466-H475 AromaticContact CZ-CE1 3.68Å; F466-H475 AromaticContact CZ-NE2 3.81Å
467	V	98.2	Very high	96.8	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-60.5	-43.4	176.2	170.3	0	0	0	0	110.5	V147 P167 V169 E254 I255 W463 I464 N470 K471 G472 A473	V147-V467 HydrophobicContact CG2-CB 4.39Å; V147-V467 HydrophobicContact CG2-CG1 3.83Å; P167-V467 HydrophobicContact CB-CG1 3.81Å; P167-V467 HydrophobicContact CG-CG1 4.14Å; V169-V467 HydrophobicContact CG2-CB 4.23Å; V169-V467 HydrophobicContact CG2-CG1 4.43Å; V169-V467 HydrophobicContact CG2-CG2 3.89Å; E254-V467 HydrophobicContact CB-CB 4.46Å; E254-V467 HydrophobicContact CB-CG1 3.93Å; E254-V467 HydrophobicContact CB-CG2 3.62Å; E254-V467 HydrophobicContact CG-CG1 3.96Å; I255-V467 HydrophobicContact CG1-CG2 3.79Å; W463-V467 WeakPolarHBondContact O-CG2 3.39Å; W463-V467 PolarHBondContact O-N 3.09Å; I464-V467 PolarHBondContact O-N 2.91Å; V467-N470 PolarHBondContact O-N 3.42Å; V467-K471 WeakPolarHBondContact O-CA 3.15Å; V467-K471 PolarHBondContact O-N 3.2Å; V467-G472 PolarHBondContact O-N 3.06Å; V467-A473 HydrophobicContact CG2-CB 4.22Å
468	M	96	Very high	96.7	Very high	2 Å²	2	50.2 Å²	50.2	1%	0.01	23%	0.229	C	C	.	.	H	α-helix	trans	-60.9	-45.9	177.9	-175.8	-170.2	-72.8	0	0	113	G24 V26 D146 V147 I464 E465 F466 K471	G24-M468 VanDerWaalsContact CA-SD 3.56Å; V26-M468 HydrophobicContact CG2-CE 3.66Å; D146-M468 HydrophobicContact CB-CG 3.63Å; V147-M468 HydrophobicContact CB-CB 4.49Å; V147-M468 HydrophobicContact CG1-CB 4.39Å; V147-M468 HydrophobicContact CG1-CE 3.57Å; I464-M468 WeakPolarHBondContact O-CB 3.08Å; I464-M468 PolarHBondContact O-N 3.45Å; E465-M468 WeakPolarHBondContact O-CB 3.4Å; E465-M468 PolarHBondContact O-N 2.91Å; F466-M468 VanDerWaalsContact C-N 3.3Å; F466-M468 PolarHBondContact O-N 2.91Å; M468-K471 PolarHBondContact O-NZ 3.38Å
469	R	95.4	Very high	96.6	Very high	92 Å²	92	50.9 Å²	50.9	35%	0.347	24%	0.242	S	C	.	.	H	α-helix	trans	-66.7	-40.8	179.6	-77.4	-176.9	-65.8	-105.5	-2.9	112.5	L22 F462 E465 F466	L22-R469 HydrophobicContact CD1-CG 3.8Å; L22-R469 HydrophobicContact CD2-CG 3.97Å; L22-R469 HydrophobicContact CG-CG 4.39Å; F462-R469 PolarHBondContact O-NH2 3.3Å; E465-R469 VanDerWaalsContact CB-NH1 3.27Å; E465-R469 WeakPolarHBondContact O-CB 3.24Å; E465-R469 VanDerWaalsContact O-CG 3.26Å; E465-R469 WeakPolarHBondContact O-CG 3.47Å; E465-R469 PolarHBondContact O-N 3.37Å; E465-R469 PolarHBondContact O-NE 3.31Å; E465-R469 IonicContact OE2-CZ 3.85Å; E465-R469 IonicContact OE2-NH1 3.73Å; E465-R469 PolarHBondContact OE2-NH1 3.04Å; E465-R469 IonicContact OE2-NH2 3.48Å; F466-R469 PolarHBondContact O-N 3.49Å
470	N	95.9	Very high	96.4	Very high	92 Å²	92	49.8 Å²	49.8	49%	0.492	24%	0.24	S	C	.	.	H	α-helix	trans	-96.5	1.2	-173.6	-64.5	-77.7	0	0	0	113.4	F466 V467 G472	F466-N470 WeakPolarHBondContact O-CB 3.47Å; F466-N470 PolarHBondContact O-N 2.96Å; F466-N470 PolarHBondContact O-ND2 3.26Å; V467-N470 PolarHBondContact O-N 3.42Å; N470-G472 WeakPolarHBondContact CB-O 3.39Å; N470-G472 PolarHBondContact O-N 2.84Å
471	K	94.4	Very high	96.2	Very high	130 Å²	130	51.5 Å²	51.5	57%	0.565	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	53.7	43.3	-176.1	-54	-56.9	-179.3	-167.6	0	111.8	D146 V467 M468	D146-K471 IonicContact OD1-NZ 3.42Å; D146-K471 PolarHBondContact OD1-NZ 3.03Å; V467-K471 WeakPolarHBondContact O-CA 3.15Å; V467-K471 PolarHBondContact O-N 3.2Å; M468-K471 PolarHBondContact O-NZ 3.38Å
472	G	95.9	Very high	96	Very high	7 Å²	7	57.8 Å²	57.8	7%	0.072	28%	0.282	C	S	.	.			trans	125	179	-175.9	0	0	0	0	0	113.5	E254 V467 N470	E254-G472 VanDerWaalsContact CD-CA 3.5Å; V467-G472 PolarHBondContact O-N 3.06Å; N470-G472 WeakPolarHBondContact CB-O 3.39Å; N470-G472 PolarHBondContact O-N 2.84Å
473	A	97.4	Very high	95.8	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.008	28%	0.283	C	S	.	.			trans	-143.9	29.3	-179.9	0	0	0	0	0	112.2	E254 I255 F466 V467 H475 L476	E254-A473 HydrophobicContact CB-CB 4.04Å; E254-A473 WeakPolarHBondContact OE2-CA 3.39Å; E254-A473 PolarHBondContact OE2-N 3.04Å; I255-A473 HydrophobicContact CD1-CB 4.43Å; F466-A473 HydrophobicContact CD1-CB 4.26Å; F466-A473 HydrophobicContact CE1-CB 3.89Å; V467-A473 HydrophobicContact CG2-CB 4.22Å; A473-H475 PolarHBondContact O-N 3.1Å; A473-L476 HydrophobicContact CB-CD1 4.14Å; A473-L476 WeakPolarHBondContact O-CB 3.47Å; A473-L476 PolarHBondContact O-N 3.45Å
474	K	94.3	Very high	95.6	Very high	164 Å²	164	58.1 Å²	58.1	71%	0.713	29%	0.292	S	S	*	.	G	3₁₀ helix	trans	-51	-26.9	-175.9	-64.3	-174.4	-179.9	-179.8	0	115.8	E254 L476 R477	E254-K474 PolarHBondContact OE2-N 3.28Å; K474-L476 PolarHBondContact O-N 2.92Å; K474-R477 VanDerWaalsContact O-CB 3.24Å; K474-R477 WeakPolarHBondContact O-CB 3.45Å; K474-R477 PolarHBondContact O-N 3.4Å; K474-R477 VanDerWaalsContact O-N 3.12Å
475	H	95.8	Very high	95.3	Very high	136 Å²	136	66.8 Å²	66.8	63%	0.63	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-67.7	-15	176.3	62.4	-83.4	0	0	0	113.8	F466 A473	F466-H475 AromaticContact CE1-CE1 3.84Å; F466-H475 AromaticContact CZ-CE1 3.68Å; F466-H475 AromaticContact CZ-NE2 3.81Å; A473-H475 PolarHBondContact O-N 3.1Å
476	L	96.8	Very high	95.2	Very high	30 Å²	30	69.5 Å²	69.5	16%	0.157	34%	0.337	C	S	.	.	G	3₁₀ helix	trans	-91.7	-8.4	173.9	-57.1	179.7	0	0	0	112.7	I255 P272 N273 W463 A473 K474	I255-L476 HydrophobicContact CD1-CD1 3.86Å; P272-L476 HydrophobicContact CB-CB 4.28Å; P272-L476 HydrophobicContact CB-CD2 4.01Å; N273-L476 HydrophobicContact CB-CB 3.87Å; W463-L476 HydrophobicContact CH2-CD1 3.73Å; W463-L476 HydrophobicContact CZ3-CD1 3.54Å; A473-L476 HydrophobicContact CB-CD1 4.14Å; A473-L476 WeakPolarHBondContact O-CB 3.47Å; A473-L476 PolarHBondContact O-N 3.45Å; K474-L476 PolarHBondContact O-N 2.92Å
477	R	94.2	Very high	95.1	Very high	77 Å²	77	71.5 Å²	71.5	29%	0.291	35%	0.347	S	S	.	.	S	Bend	trans	-76.2	131.1	178.1	-171.9	-170.9	-177.3	87.2	-3.6	109.8	G251 K474 H481	G251-R477 PolarHBondContact O-NH1 3.37Å; K474-R477 VanDerWaalsContact O-CB 3.24Å; K474-R477 WeakPolarHBondContact O-CB 3.45Å; K474-R477 PolarHBondContact O-N 3.4Å; K474-R477 VanDerWaalsContact O-N 3.12Å; R477-H481 VanDerWaalsContact CZ-CG 3.44Å; R477-H481 PolarHBondContact NE-CD2 3.26Å; R477-H481 PolarHBondContact NH2-ND1 3.5Å
478	V	94.8	Very high	94.9	Very high	38 Å²	38	76.2 Å²	76.2	23%	0.23	37%	0.365	C	S	.	.			trans	-76.7	151.3	177.6	-67.4	0	0	0	0	112.6	Q186 L271 A480 H481	Q186-V478 HydrophobicContact CB-CG2 4.01Å; L271-V478 HydrophobicContact CD1-CG1 4.11Å; L271-V478 HydrophobicContact CD1-CG2 3.72Å; L271-V478 HydrophobicContact CD2-CG1 3.69Å; L271-V478 HydrophobicContact CG-CG1 4.33Å; V478-A480 HydrophobicContact CG2-CB 3.94Å; V478-A480 PolarHBondContact O-N 3.38Å; V478-A480 VanDerWaalsContact O-N 3.12Å; V478-H481 PolarHBondContact O-CD2 3.31Å
479	A	95	Very high	94.9	Very high	68 Å²	68	81.5 Å²	81.5	56%	0.562	39%	0.389	S	S	*	.	G	3₁₀ helix	trans	-64.5	-14.9	177.4	0	0	0	0	0	114	H481 D482	A479-H481 PolarHBondContact O-N 2.95Å; A479-H481 VanDerWaalsContact O-N 3.09Å; A479-D482 PolarHBondContact O-N 2.81Å
480	A	94.4	Very high	95	Very high	19 Å²	19	79.9 Å²	79.9	16%	0.157	39%	0.392	C	S	.	.	G	3₁₀ helix	trans	-56.4	-26.8	-179.8	0	0	0	0	0	113.5	Q186 V478 D482 Y488	Q186-A480 HydrophobicContact CB-CB 4.05Å; Q186-A480 HydrophobicContact CG-CB 4.09Å; V478-A480 HydrophobicContact CG2-CB 3.94Å; V478-A480 PolarHBondContact O-N 3.38Å; V478-A480 VanDerWaalsContact O-N 3.12Å; A480-D482 PolarHBondContact O-N 2.92Å; A480-Y488 HydrophobicContact CB-CD2 3.84Å; A480-Y488 HydrophobicContact CB-CE2 3.67Å
481	H	93.8	Very high	95	Very high	37 Å²	37	78.5 Å²	78.5	17%	0.171	39%	0.387	C	S	.	.	G	3₁₀ helix	trans	-65.5	-21.8	175.2	-69.3	-86.8	0	0	0	114	C184 Q186 R477 V478 A479	C184-H481 PolarHBondContact O-CE1 2.93Å; Q186-H481 VanDerWaalsContact CG-CE1 3.47Å; Q186-H481 WeakPolarHBondContact CG-CE1 3.33Å; Q186-H481 WeakPolarHBondContact CG-ND1 2.84Å; R477-H481 VanDerWaalsContact CZ-CG 3.44Å; R477-H481 PolarHBondContact NE-CD2 3.26Å; R477-H481 PolarHBondContact NH2-ND1 3.5Å; V478-H481 PolarHBondContact O-CD2 3.31Å; A479-H481 PolarHBondContact O-N 2.95Å; A479-H481 VanDerWaalsContact O-N 3.09Å
482	D	93.5	Very high	95.2	Very high	131 Å²	131	75.6 Å²	75.6	70%	0.701	38%	0.378	S	S	*	.	G	3₁₀ helix	trans	-108.3	0.2	-174.3	-54.5	-45.8	0	0	0	112.6	A479 A480	A479-D482 PolarHBondContact O-N 2.81Å; A480-D482 PolarHBondContact O-N 2.92Å
483	L	94.4	Very high	95.3	Very high	81 Å²	81	78.9 Å²	78.9	42%	0.424	40%	0.396	S	S	.	.	S	Bend	trans	-92.3	145.8	-179.8	-64.2	-179.8	0	0	0	111.7	Q487	L483-Q487 HydrophobicContact CB-CB 4.22Å; L483-Q487 HydrophobicContact CD2-CB 4.25Å
484	T	94.1	Very high	95.3	Very high	55 Å²	55	83.3 Å²	83.3	34%	0.337	42%	0.419	S	S	.	.			trans	-70.4	159.2	165	70.5	0	0	0	0	110.5	F486 Q487 Y488	T484-F486 HydrophobicContact CG2-CE1 3.94Å; T484-F486 HydrophobicContact CG2-CZ 4.06Å; T484-F486 PolarHBondContact O-N 3.49Å; T484-F486 VanDerWaalsContact OG1-CD1 3.24Å; T484-F486 WeakPolarHBondContact OG1-CD1 3.28Å; T484-F486 WeakPolarHBondContact OG1-CE1 3.21Å; T484-F486 WeakPolarHBondContact OG1-CE2 3.49Å; T484-F486 WeakPolarHBondContact OG1-CG 3.48Å; T484-F486 WeakPolarHBondContact OG1-CZ 3.48Å; T484-Q487 PolarHBondContact O-N 3.48Å; T484-Q487 VanDerWaalsContact O-N 3.1Å; T484-Q487 VanDerWaalsContact OG1-CG 3.3Å; T484-Q487 WeakPolarHBondContact OG1-CG 3.49Å; T484-Q487 PolarHBondContact OG1-N 3.48Å; T484-Q487 PolarHBondContact OG1-OE1 3.01Å; T484-Y488 WeakPolarHBondContact O-CB 3.15Å; T484-Y488 PolarHBondContact O-N 2.91Å
485	W	92.2	Very high	95.5	Very high	181 Å²	181	77 Å²	77	69%	0.686	40%	0.401	S	S	*	.	H	α-helix	trans	-56	-37.4	-179.9	79.3	-91.8	0	0	0	113	H489 V491	W485-H489 PolarHBondContact O-CD2 3.28Å; W485-H489 VanDerWaalsContact O-CD2 3.23Å; W485-H489 PolarHBondContact O-N 3.08Å; W485-H489 VanDerWaalsContact O-N 3.11Å; W485-V491 HydrophobicContact CZ3-CG2 4.07Å
486	F	95.1	Very high	95.6	Very high	82 Å²	82	77.1 Å²	77.1	36%	0.36	40%	0.4	S	S	.	.	H	α-helix	trans	-77	-30.5	-179	63.2	-97.6	0	0	0	112.1	T484 S490 V491 D492	T484-F486 HydrophobicContact CG2-CE1 3.94Å; T484-F486 HydrophobicContact CG2-CZ 4.06Å; T484-F486 PolarHBondContact O-N 3.49Å; T484-F486 VanDerWaalsContact OG1-CD1 3.24Å; T484-F486 WeakPolarHBondContact OG1-CD1 3.28Å; T484-F486 WeakPolarHBondContact OG1-CE1 3.21Å; T484-F486 WeakPolarHBondContact OG1-CE2 3.49Å; T484-F486 WeakPolarHBondContact OG1-CG 3.48Å; T484-F486 WeakPolarHBondContact OG1-CZ 3.48Å; F486-S490 CarbonylContact O-C 3.54Å; F486-S490 PolarHBondContact O-N 3.36Å; F486-S490 VanDerWaalsContact O-N 3.1Å; F486-V491 HydrophobicContact CB-CB 4.02Å; F486-V491 PolarHBondContact O-N 2.98Å; F486-D492 HydrophobicContact CD2-CB 4.11Å
487	Q	96.6	Very high	95.7	Very high	78 Å²	78	80.3 Å²	80.3	36%	0.364	42%	0.417	S	S	.	.	H	α-helix	trans	-69.7	-46.5	170.9	-73	172.9	-39.1	0	0	110.8	L483 T484 H489 S490	L483-Q487 HydrophobicContact CB-CB 4.22Å; L483-Q487 HydrophobicContact CD2-CB 4.25Å; T484-Q487 PolarHBondContact O-N 3.48Å; T484-Q487 VanDerWaalsContact O-N 3.1Å; T484-Q487 VanDerWaalsContact OG1-CG 3.3Å; T484-Q487 WeakPolarHBondContact OG1-CG 3.49Å; T484-Q487 PolarHBondContact OG1-N 3.48Å; T484-Q487 PolarHBondContact OG1-OE1 3.01Å; Q487-H489 VanDerWaalsContact C-N 3.27Å; Q487-H489 PolarHBondContact O-N 3.13Å; Q487-S490 PolarHBondContact O-N 2.97Å
488	Y	94	Very high	95.9	Very high	99 Å²	99	81.7 Å²	81.7	39%	0.388	43%	0.429	S	S	.	.	H	α-helix	trans	-56.4	-41.7	178.1	179	-97.3	0	0	0	112	A480 T484	A480-Y488 HydrophobicContact CB-CD2 3.84Å; A480-Y488 HydrophobicContact CB-CE2 3.67Å; T484-Y488 WeakPolarHBondContact O-CB 3.15Å; T484-Y488 PolarHBondContact O-N 2.91Å
489	H	94.3	Very high	96.1	Very high	113 Å²	113	84.2 Å²	84.2	52%	0.523	44%	0.444	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.6	6.6	176.6	-68.9	-61.8	0	0	0	114.5	W485 Q487 V491	W485-H489 PolarHBondContact O-CD2 3.28Å; W485-H489 VanDerWaalsContact O-CD2 3.23Å; W485-H489 PolarHBondContact O-N 3.08Å; W485-H489 VanDerWaalsContact O-N 3.11Å; Q487-H489 VanDerWaalsContact C-N 3.27Å; Q487-H489 PolarHBondContact O-N 3.13Å; H489-V491 HydrophobicContact CB-CG2 3.88Å; H489-V491 PolarHBondContact O-N 3.03Å; H489-V491 VanDerWaalsContact O-N 3.14Å
490	S	97.3	Very high	96.2	Very high	58 Å²	58	83.2 Å²	83.2	41%	0.406	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	53.5	29.6	-179	-57.6	0	0	0	0	114.3	F486 Q487 D492 V493 I494	F486-S490 CarbonylContact O-C 3.54Å; F486-S490 PolarHBondContact O-N 3.36Å; F486-S490 VanDerWaalsContact O-N 3.1Å; Q487-S490 PolarHBondContact O-N 2.97Å; S490-D492 VanDerWaalsContact C-N 3.29Å; S490-D492 PolarHBondContact O-N 3.11Å; S490-V493 PolarHBondContact O-N 2.8Å; S490-I494 VanDerWaalsContact O-CG1 3.26Å; S490-I494 WeakPolarHBondContact O-CG1 3.49Å; S490-I494 PolarHBondContact O-N 3.31Å
491	V	97.9	Very high	96.4	Very high	63 Å²	63	86.8 Å²	86.8	38%	0.382	45%	0.452	S	S	.	.	H	α-helix	trans	-66.9	-34.8	-178.8	175.4	0	0	0	0	110.9	W485 F486 H489 G495	W485-V491 HydrophobicContact CZ3-CG2 4.07Å; F486-V491 HydrophobicContact CB-CB 4.02Å; F486-V491 PolarHBondContact O-N 2.98Å; H489-V491 HydrophobicContact CB-CG2 3.88Å; H489-V491 PolarHBondContact O-N 3.03Å; H489-V491 VanDerWaalsContact O-N 3.14Å; V491-G495 PolarHBondContact O-N 2.98Å
492	D	97.5	Very high	96.6	Very high	70 Å²	70	89.7 Å²	89.7	37%	0.374	47%	0.473	S	S	.	.	H	α-helix	trans	-60.7	-46.8	171.8	54.3	-10.1	0	0	0	112.1	F486 S490 G495 F496	F486-D492 HydrophobicContact CD2-CB 4.11Å; S490-D492 VanDerWaalsContact C-N 3.29Å; S490-D492 PolarHBondContact O-N 3.11Å; D492-G495 PolarHBondContact O-N 3.26Å; D492-F496 WeakPolarHBondContact O-CB 3.44Å; D492-F496 PolarHBondContact O-N 2.88Å
493	V	98.2	Very high	96.8	Very high	75 Å²	75	86.9 Å²	86.9	46%	0.455	46%	0.46	S	S	.	.	H	α-helix	trans	-65.8	-47.3	177.1	-180	0	0	0	0	111.2	S490 G495 F496 L497	S490-V493 PolarHBondContact O-N 2.8Å; V493-G495 VanDerWaalsContact C-N 3.31Å; V493-G495 PolarHBondContact O-N 3.46Å; V493-F496 PolarHBondContact O-N 2.89Å; V493-L497 HydrophobicContact CG1-CD1 4.16Å; V493-L497 HydrophobicContact CG1-CG 4.47Å; V493-L497 WeakPolarHBondContact O-CG 3.22Å; V493-L497 PolarHBondContact O-N 3.47Å
494	I	98.3	Very high	96.9	Very high	94 Å²	94	88.4 Å²	88.4	48%	0.482	47%	0.468	S	S	.	.	H	α-helix	trans	-59.3	-45.6	177.2	-68.6	164.9	0	0	0	110	S490 F496 L497 L498	S490-I494 VanDerWaalsContact O-CG1 3.26Å; S490-I494 WeakPolarHBondContact O-CG1 3.49Å; S490-I494 PolarHBondContact O-N 3.31Å; I494-F496 PolarHBondContact O-N 3.27Å; I494-L497 PolarHBondContact O-N 3.22Å; I494-L498 HydrophobicContact CG2-CD1 3.98Å; I494-L498 HydrophobicContact CG2-CG 4.4Å; I494-L498 WeakPolarHBondContact O-CB 3.44Å; I494-L498 VanDerWaalsContact O-CG 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.47Å; I494-L498 PolarHBondContact O-N 3.37Å
495	G	98	Very high	97	Very high	33 Å²	33	88.2 Å²	88.2	34%	0.34	47%	0.472	S	S	.	.	H	α-helix	trans	-58.1	-47.4	176.2	0	0	0	0	0	112.3	V491 D492 V493 L498 V499	V491-G495 PolarHBondContact O-N 2.98Å; D492-G495 PolarHBondContact O-N 3.26Å; V493-G495 VanDerWaalsContact C-N 3.31Å; V493-G495 PolarHBondContact O-N 3.46Å; G495-L498 PolarHBondContact O-N 3.19Å; G495-V499 WeakPolarHBondContact O-CG2 3.47Å; G495-V499 PolarHBondContact O-N 2.83Å
496	F	98.3	Very high	97.2	Very high	137 Å²	137	85.5 Å²	85.5	60%	0.601	47%	0.466	S	S	*	.	H	α-helix	trans	-59.2	-47.6	176.4	175	-103.1	0	0	0	112.3	D492 V493 I494 L498 V499 C500	D492-F496 WeakPolarHBondContact O-CB 3.44Å; D492-F496 PolarHBondContact O-N 2.88Å; V493-F496 PolarHBondContact O-N 2.89Å; I494-F496 PolarHBondContact O-N 3.27Å; F496-L498 VanDerWaalsContact C-N 3.35Å; F496-L498 PolarHBondContact O-N 2.02Å; F496-V499 WeakPolarHBondContact O-CB 3.37Å; F496-V499 PolarHBondContact O-N 3.34Å; F496-C500 PolarHBondContact O-N 3.11Å; F496-C500 PolarHBondContact O-SG 3.4Å
497	L	98.3	Very high	97.3	Very high	98 Å²	98	85.7 Å²	85.7	51%	0.513	47%	0.469	S	S	.	.	H	α-helix	trans	-63	-39.7	179	-69	176	0	0	0	112.3	V493 I494 V499 C500 V501	V493-L497 HydrophobicContact CG1-CD1 4.16Å; V493-L497 HydrophobicContact CG1-CG 4.47Å; V493-L497 WeakPolarHBondContact O-CG 3.22Å; V493-L497 PolarHBondContact O-N 3.47Å; I494-L497 PolarHBondContact O-N 3.22Å; L497-V499 VanDerWaalsContact C-N 3.35Å; L497-V499 PolarHBondContact O-N 3.3Å; L497-C500 WeakPolarHBondContact O-CB 3.38Å; L497-C500 PolarHBondContact O-N 3.23Å; L497-V501 WeakPolarHBondContact O-CG2 3Å; L497-V501 PolarHBondContact O-N 3.48Å
498	L	98	Very high	97.3	Very high	105 Å²	105	87.6 Å²	87.6	55%	0.55	48%	0.48	S	S	.	.	H	α-helix	trans	-61.9	-42.2	175	-73.6	172.4	0	0	0	111.6	I494 G495 F496 C500 V501 V502	I494-L498 HydrophobicContact CG2-CD1 3.98Å; I494-L498 HydrophobicContact CG2-CG 4.4Å; I494-L498 WeakPolarHBondContact O-CB 3.44Å; I494-L498 VanDerWaalsContact O-CG 3.31Å; I494-L498 WeakPolarHBondContact O-CG 3.47Å; I494-L498 PolarHBondContact O-N 3.37Å; G495-L498 PolarHBondContact O-N 3.19Å; F496-L498 VanDerWaalsContact C-N 3.35Å; F496-L498 PolarHBondContact O-N 2.02Å; L498-C500 VanDerWaalsContact C-N 3.34Å; L498-C500 PolarHBondContact O-N 2.95Å; L498-V501 PolarHBondContact O-N 3.44Å; L498-V502 VanDerWaalsContact O-CG2 3.31Å; L498-V502 WeakPolarHBondContact O-CG2 3.4Å; L498-V502 PolarHBondContact O-N 3.41Å
499	V	98.3	Very high	97.3	Very high	91 Å²	91	86.6 Å²	86.6	55%	0.552	48%	0.484	S	S	*	.	H	α-helix	trans	-61	-43	175.2	171.2	0	0	0	0	111.3	G495 F496 L497 V502 T503	G495-V499 WeakPolarHBondContact O-CG2 3.47Å; G495-V499 PolarHBondContact O-N 2.83Å; F496-V499 WeakPolarHBondContact O-CB 3.37Å; F496-V499 PolarHBondContact O-N 3.34Å; L497-V499 VanDerWaalsContact C-N 3.35Å; L497-V499 PolarHBondContact O-N 3.3Å; V499-V502 PolarHBondContact O-N 3.27Å; V499-T503 WeakPolarHBondContact O-CB 3.35Å; V499-T503 PolarHBondContact O-N 3.07Å; V499-T503 PolarHBondContact O-OG1 3.17Å
500	C	98.1	Very high	97.3	Very high	47 Å²	47	86.8 Å²	86.8	32%	0.318	48%	0.483	S	S	.	.	H	α-helix	trans	-59.7	-47.4	175	-67.6	0	0	0	0	111.9	F496 L497 L498 T503 L504	F496-C500 PolarHBondContact O-N 3.11Å; F496-C500 PolarHBondContact O-SG 3.4Å; L497-C500 WeakPolarHBondContact O-CB 3.38Å; L497-C500 PolarHBondContact O-N 3.23Å; L498-C500 VanDerWaalsContact C-N 3.34Å; L498-C500 PolarHBondContact O-N 2.95Å; C500-T503 PolarHBondContact O-N 2.81Å; C500-L504 WeakPolarHBondContact O-CB 3.4Å; C500-L504 WeakPolarHBondContact O-CG 3.32Å; C500-L504 PolarHBondContact O-N 2.91Å
501	V	97.9	Very high	97	Very high	94 Å²	94	87.2 Å²	87.2	57%	0.57	49%	0.485	S	S	*	.	H	α-helix	trans	-62.1	-45.6	178.7	171.3	0	0	0	0	111.3	L497 L498 T503 L504 A505	L497-V501 WeakPolarHBondContact O-CG2 3Å; L497-V501 PolarHBondContact O-N 3.48Å; L498-V501 PolarHBondContact O-N 3.44Å; V501-T503 VanDerWaalsContact C-N 3.32Å; V501-T503 PolarHBondContact O-N 2.98Å; V501-L504 PolarHBondContact O-N 3.44Å; V501-A505 WeakPolarHBondContact O-CB 3.44Å; V501-A505 PolarHBondContact O-N 3.04Å
502	V	97.8	Very high	96.7	Very high	99 Å²	99	87.3 Å²	87.3	60%	0.6	49%	0.488	S	S	*	.	H	α-helix	trans	-62.7	-41.1	178.3	170.5	0	0	0	0	111	L498 V499 A505 F506	L498-V502 VanDerWaalsContact O-CG2 3.31Å; L498-V502 WeakPolarHBondContact O-CG2 3.4Å; L498-V502 PolarHBondContact O-N 3.41Å; V499-V502 PolarHBondContact O-N 3.27Å; V502-A505 PolarHBondContact O-N 3.03Å; V502-F506 VanDerWaalsContact O-CB 3.29Å; V502-F506 WeakPolarHBondContact O-CB 3Å; V502-F506 PolarHBondContact O-N 3.31Å
503	T	97.4	Very high	96.3	Very high	72 Å²	72	88.2 Å²	88.2	44%	0.442	49%	0.493	S	S	.	.	H	α-helix	trans	-67.5	-43.3	178.8	-60.9	0	0	0	0	111.3	V499 C500 V501 F506 I507	V499-T503 WeakPolarHBondContact O-CB 3.35Å; V499-T503 PolarHBondContact O-N 3.07Å; V499-T503 PolarHBondContact O-OG1 3.17Å; C500-T503 PolarHBondContact O-N 2.81Å; V501-T503 VanDerWaalsContact C-N 3.32Å; V501-T503 PolarHBondContact O-N 2.98Å; T503-F506 PolarHBondContact O-N 3.3Å; T503-I507 HydrophobicContact CG2-CD1 3.94Å; T503-I507 VanDerWaalsContact O-CG1 3.27Å; T503-I507 WeakPolarHBondContact O-CG1 3.18Å; T503-I507 PolarHBondContact O-N 3.3Å
504	L	97.3	Very high	95.7	Very high	112 Å²	112	90.5 Å²	90.5	59%	0.586	50%	0.497	S	S	*	.	H	α-helix	trans	-61.9	-46.1	174.2	-73.6	171.5	0	0	0	111.7	C500 V501 F506 I507 M508	C500-L504 WeakPolarHBondContact O-CB 3.4Å; C500-L504 WeakPolarHBondContact O-CG 3.32Å; C500-L504 PolarHBondContact O-N 2.91Å; V501-L504 PolarHBondContact O-N 3.44Å; L504-F506 VanDerWaalsContact C-N 3.3Å; L504-F506 PolarHBondContact O-N 3.28Å; L504-I507 PolarHBondContact O-N 3.32Å; L504-M508 WeakPolarHBondContact O-CB 3.24Å; L504-M508 VanDerWaalsContact O-CG 3.28Å; L504-M508 WeakPolarHBondContact O-CG 3.33Å; L504-M508 PolarHBondContact O-N 3.38Å
505	A	96.8	Very high	95	Very high	52 Å²	52	89.2 Å²	89.2	43%	0.43	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-39.5	176.5	0	0	0	0	0	111.9	V501 V502 T509	V501-A505 WeakPolarHBondContact O-CB 3.44Å; V501-A505 PolarHBondContact O-N 3.04Å; V502-A505 PolarHBondContact O-N 3.03Å; A505-T509 VanDerWaalsContact O-CB 3.31Å; A505-T509 WeakPolarHBondContact O-CB 3.3Å; A505-T509 PolarHBondContact O-N 2.98Å; A505-T509 PolarHBondContact O-OG1 3.15Å
506	F	97	Very high	94.1	Very high	124 Å²	124	91.1 Å²	91.1	54%	0.544	50%	0.5	S	S	.	.	H	α-helix	trans	-63.8	-48.5	174.8	178.4	-96.9	0	0	0	111.9	V502 T503 L504 T509 K510	V502-F506 VanDerWaalsContact O-CB 3.29Å; V502-F506 WeakPolarHBondContact O-CB 3Å; V502-F506 PolarHBondContact O-N 3.31Å; T503-F506 PolarHBondContact O-N 3.3Å; L504-F506 VanDerWaalsContact C-N 3.3Å; L504-F506 PolarHBondContact O-N 3.28Å; F506-T509 PolarHBondContact O-N 2.69Å; F506-K510 HydrophobicContact CD1-CG 4.27Å; F506-K510 HydrophobicContact CE1-CG 3.94Å; F506-K510 VanDerWaalsContact CE2-CE 3.46Å; F506-K510 HydrophobicContact CE2-CG 4.34Å; F506-K510 HydrophobicContact CZ-CD 4.31Å; F506-K510 HydrophobicContact CZ-CG 4Å; F506-K510 WeakPolarHBondContact O-CG 3.4Å; F506-K510 PolarHBondContact O-N 2.75Å
507	I	96.4	Very high	93.1	Very high	85 Å²	85	93.1 Å²	93.1	44%	0.436	50%	0.504	S	S	.	.	H	α-helix	trans	-59.1	-49.6	176.7	-68.7	167.1	0	0	0	110	T503 L504 T509 K510 C511	T503-I507 HydrophobicContact CG2-CD1 3.94Å; T503-I507 VanDerWaalsContact O-CG1 3.27Å; T503-I507 WeakPolarHBondContact O-CG1 3.18Å; T503-I507 PolarHBondContact O-N 3.3Å; L504-I507 PolarHBondContact O-N 3.32Å; I507-T509 VanDerWaalsContact C-N 3.32Å; I507-T509 PolarHBondContact O-N 3.22Å; I507-K510 PolarHBondContact O-N 3.06Å; I507-K510 VanDerWaalsContact O-N 3.15Å; I507-C511 WeakPolarHBondContact O-CB 3.25Å; I507-C511 PolarHBondContact O-N 3.37Å; I507-C511 PolarHBondContact O-SG 2.92Å
508	M	95.3	Very high	92	Very high	119 Å²	119	94.8 Å²	94.8	59%	0.586	51%	0.507	S	S	*	.	H	α-helix	trans	-58.1	-44.2	177.8	-74.2	-60	-64.4	0	0	111.8	L504 K510 C511 C512	L504-M508 WeakPolarHBondContact O-CB 3.24Å; L504-M508 VanDerWaalsContact O-CG 3.28Å; L504-M508 WeakPolarHBondContact O-CG 3.33Å; L504-M508 PolarHBondContact O-N 3.38Å; M508-K510 PolarHBondContact O-N 3.26Å; M508-C511 PolarHBondContact O-N 2.96Å; M508-C512 WeakPolarHBondContact O-CB 3.4Å; M508-C512 PolarHBondContact O-N 3.22Å; M508-C512 PolarHBondContact O-SG 3.3Å
509	T	94.8	Very high	90.8	Very high	78 Å²	78	97.2 Å²	97.2	48%	0.479	51%	0.514	S	S	.	.	H	α-helix	trans	-62.6	-43.9	176.7	-57.7	0	0	0	0	111.3	A505 F506 I507 C512 L513	A505-T509 VanDerWaalsContact O-CB 3.31Å; A505-T509 WeakPolarHBondContact O-CB 3.3Å; A505-T509 PolarHBondContact O-N 2.98Å; A505-T509 PolarHBondContact O-OG1 3.15Å; F506-T509 PolarHBondContact O-N 2.69Å; I507-T509 VanDerWaalsContact C-N 3.32Å; I507-T509 PolarHBondContact O-N 3.22Å; T509-C512 PolarHBondContact O-N 3.01Å; T509-L513 HydrophobicContact CG2-CD1 3.97Å; T509-L513 HydrophobicContact CG2-CG 4.38Å; T509-L513 WeakPolarHBondContact O-CB 3.43Å; T509-L513 WeakPolarHBondContact O-CG 3.28Å; T509-L513 PolarHBondContact O-N 3.18Å
510	K	93.9	Very high	89.3	Confident	116 Å²	116	96.4 Å²	96.4	50%	0.504	51%	0.511	S	S	.	.	H	α-helix	trans	-65.3	-41.2	176.6	-70	-65.6	-176.1	-178.4	0	112	F506 I507 M508 L513 F514	F506-K510 HydrophobicContact CD1-CG 4.27Å; F506-K510 HydrophobicContact CE1-CG 3.94Å; F506-K510 VanDerWaalsContact CE2-CE 3.46Å; F506-K510 HydrophobicContact CE2-CG 4.34Å; F506-K510 HydrophobicContact CZ-CD 4.31Å; F506-K510 HydrophobicContact CZ-CG 4Å; F506-K510 WeakPolarHBondContact O-CG 3.4Å; F506-K510 PolarHBondContact O-N 2.75Å; I507-K510 PolarHBondContact O-N 3.06Å; I507-K510 VanDerWaalsContact O-N 3.15Å; M508-K510 PolarHBondContact O-N 3.26Å; K510-L513 PolarHBondContact O-N 3.33Å; K510-F514 WeakPolarHBondContact O-CB 3.3Å; K510-F514 PolarHBondContact O-N 3.17Å
511	C	92	Very high	87.7	Confident	67 Å²	67	100.7 Å²	100.7	45%	0.453	53%	0.528	S	S	.	.	H	α-helix	trans	-61.7	-48.5	174.5	-72.4	0	0	0	0	111.3	I507 M508 F514 T515	I507-C511 WeakPolarHBondContact O-CB 3.25Å; I507-C511 PolarHBondContact O-N 3.37Å; I507-C511 PolarHBondContact O-SG 2.92Å; M508-C511 PolarHBondContact O-N 2.96Å; C511-F514 PolarHBondContact O-N 3.44Å; C511-T515 WeakPolarHBondContact O-CG2 3.49Å; C511-T515 PolarHBondContact O-N 3.42Å; C511-T515 PolarHBondContact O-OG1 3.43Å
512	C	90.5	Very high	85.9	Confident	65 Å²	65	99.1 Å²	99.1	44%	0.439	52%	0.521	S	S	.	.	H	α-helix	trans	-62	-44.1	176	-71.1	0	0	0	0	112.3	M508 T509 F514 T515 C516	M508-C512 WeakPolarHBondContact O-CB 3.4Å; M508-C512 PolarHBondContact O-N 3.22Å; M508-C512 PolarHBondContact O-SG 3.3Å; T509-C512 PolarHBondContact O-N 3.01Å; C512-F514 VanDerWaalsContact C-N 3.3Å; C512-F514 PolarHBondContact O-N 2.64Å; C512-T515 WeakPolarHBondContact CA-OG1 3.5Å; C512-T515 PolarHBondContact O-N 3.49Å; C512-T515 PolarHBondContact O-OG1 3.43Å; C512-C516 VanDerWaalsContact O-CB 3.25Å; C512-C516 WeakPolarHBondContact O-CB 3.2Å; C512-C516 PolarHBondContact O-N 3.03Å; C512-C516 PolarHBondContact O-SG 3.47Å
513	L	88.9	Confident	84.1	Confident	90 Å²	90	99.8 Å²	99.8	47%	0.471	52%	0.518	S	S	.	.	H	α-helix	trans	-63.9	-37.2	175.5	-72.9	172.4	0	0	0	111.7	T509 K510 R517	T509-L513 HydrophobicContact CG2-CD1 3.97Å; T509-L513 HydrophobicContact CG2-CG 4.38Å; T509-L513 WeakPolarHBondContact O-CB 3.43Å; T509-L513 WeakPolarHBondContact O-CG 3.28Å; T509-L513 PolarHBondContact O-N 3.18Å; K510-L513 PolarHBondContact O-N 3.33Å; L513-R517 VanDerWaalsContact O-CB 3.31Å; L513-R517 WeakPolarHBondContact O-CB 3.37Å; L513-R517 VanDerWaalsContact O-CG 3.22Å; L513-R517 WeakPolarHBondContact O-CG 3.14Å; L513-R517 PolarHBondContact O-N 3.49Å
514	F	86.8	Confident	82.3	Confident	123 Å²	123	104.2 Å²	104.2	54%	0.539	53%	0.531	S	S	.	.	H	α-helix	trans	-68.7	-44.7	177.1	-177.4	-99.2	0	0	0	112.2	K510 C511 C512 R517 K518	K510-F514 WeakPolarHBondContact O-CB 3.3Å; K510-F514 PolarHBondContact O-N 3.17Å; C511-F514 PolarHBondContact O-N 3.44Å; C512-F514 VanDerWaalsContact C-N 3.3Å; C512-F514 PolarHBondContact O-N 2.64Å; F514-R517 PolarHBondContact O-N 3.23Å; F514-K518 HydrophobicContact CE1-CD 3.95Å; F514-K518 HydrophobicContact CE1-CG 4.38Å; F514-K518 HydrophobicContact CZ-CD 4.19Å; F514-K518 HydrophobicContact CZ-CG 4.46Å; F514-K518 PolarHBondContact O-N 3.19Å
515	T	82.4	Confident	80.4	Confident	66 Å²	66	106.5 Å²	106.5	41%	0.405	54%	0.536	S	S	.	.	H	α-helix	trans	-64.3	-47.5	175.2	54.3	0	0	0	0	110.6	C511 C512 R517 K518 F519	C511-T515 WeakPolarHBondContact O-CG2 3.49Å; C511-T515 PolarHBondContact O-N 3.42Å; C511-T515 PolarHBondContact O-OG1 3.43Å; C512-T515 WeakPolarHBondContact CA-OG1 3.5Å; C512-T515 PolarHBondContact O-N 3.49Å; C512-T515 PolarHBondContact O-OG1 3.43Å; T515-R517 VanDerWaalsContact C-N 3.35Å; T515-R517 PolarHBondContact O-N 3Å; T515-K518 PolarHBondContact O-N 3.4Å; T515-K518 VanDerWaalsContact O-N 3.1Å; T515-F519 WeakPolarHBondContact O-CD2 3.4Å; T515-F519 PolarHBondContact O-N 3.39Å
516	C	80.7	Confident	78.6	Confident	73 Å²	73	113.3 Å²	113.3	49%	0.493	55%	0.551	S	S	.	*	H	α-helix	trans	-56.6	-45	174.9	-72.6	0	0	0	0	112.1	C512 K518 F519 C520	C512-C516 VanDerWaalsContact O-CB 3.25Å; C512-C516 WeakPolarHBondContact O-CB 3.2Å; C512-C516 PolarHBondContact O-N 3.03Å; C512-C516 PolarHBondContact O-SG 3.47Å; C516-K518 PolarHBondContact O-N 2.88Å; C516-F519 PolarHBondContact O-N 3.25Å; C516-C520 WeakPolarHBondContact O-CB 3.48Å; C516-C520 PolarHBondContact O-N 3.39Å; C516-C520 PolarHBondContact O-SG 2.82Å; C516-C520 VanDerWaalsContact O-SG 3.34Å
517	R	77.4	Confident	76.7	Confident	180 Å²	180	116 Å²	116	68%	0.679	56%	0.558	S	S	*	*	H	α-helix	trans	-60.2	-44.2	174.2	-78.9	175.8	179.9	-171.8	-0	112.1	L513 F514 T515 M521	L513-R517 VanDerWaalsContact O-CB 3.31Å; L513-R517 WeakPolarHBondContact O-CB 3.37Å; L513-R517 VanDerWaalsContact O-CG 3.22Å; L513-R517 WeakPolarHBondContact O-CG 3.14Å; L513-R517 PolarHBondContact O-N 3.49Å; F514-R517 PolarHBondContact O-N 3.23Å; T515-R517 VanDerWaalsContact C-N 3.35Å; T515-R517 PolarHBondContact O-N 3Å; R517-M521 VanDerWaalsContact O-CG 3.24Å; R517-M521 WeakPolarHBondContact O-CB 3.29Å; R517-M521 PolarHBondContact O-N 2.95Å; R517-M521 WeakPolarHBondContact O-CG 3.37Å
518	K	75.4	Confident	74.9	Confident	133 Å²	133	113.8 Å²	113.8	58%	0.578	56%	0.555	S	S	*	*	H	α-helix	trans	-63.6	-42.8	176.9	-88.6	-159.8	171.4	-177.4	0	112.7	F514 T515 C516 M521 S522	F514-K518 HydrophobicContact CE1-CD 3.95Å; F514-K518 HydrophobicContact CE1-CG 4.38Å; F514-K518 HydrophobicContact CZ-CD 4.19Å; F514-K518 HydrophobicContact CZ-CG 4.46Å; F514-K518 PolarHBondContact O-N 3.19Å; T515-K518 PolarHBondContact O-N 3.4Å; T515-K518 VanDerWaalsContact O-N 3.1Å; C516-K518 PolarHBondContact O-N 2.88Å; K518-M521 PolarHBondContact O-N 3.22Å; K518-S522 VanDerWaalsContact O-CB 3.3Å; K518-S522 WeakPolarHBondContact O-CB 3.37Å; K518-S522 PolarHBondContact O-N 2.76Å
519	F	71.3	Confident	73.1	Confident	156 Å²	156	113.1 Å²	113.1	68%	0.684	55%	0.554	S	S	*	*	H	α-helix	trans	-66.1	-45.7	176.9	-79	-71.9	0	0	0	111.7	T515 C516 M521 S522 E523	T515-F519 WeakPolarHBondContact O-CD2 3.4Å; T515-F519 PolarHBondContact O-N 3.39Å; C516-F519 PolarHBondContact O-N 3.25Å; F519-M521 VanDerWaalsContact C-N 3.35Å; F519-M521 PolarHBondContact O-N 3.08Å; F519-S522 PolarHBondContact O-N 3.46Å; F519-E523 WeakPolarHBondContact O-CB 3.27Å; F519-E523 PolarHBondContact O-N 2.91Å
520	C	67.1	Low	71.3	Confident	73 Å²	73	119.1 Å²	119.1	49%	0.493	57%	0.568	S	S	.	*	H	α-helix	trans	-62.4	-37.7	175.1	-70.3	0	0	0	0	113	C516 K524	C516-C520 WeakPolarHBondContact O-CB 3.48Å; C516-C520 PolarHBondContact O-N 3.39Å; C516-C520 PolarHBondContact O-SG 2.82Å; C516-C520 VanDerWaalsContact O-SG 3.34Å; C520-K524 WeakPolarHBondContact O-CG 3.14Å; C520-K524 PolarHBondContact O-N 3.42Å
521	M	64.2	Low	69.5	Low	137 Å²	137	122.2 Å²	122.2	68%	0.675	58%	0.581	S	S	*	*	H	α-helix	trans	-69.8	-39.5	175.4	-75	-178.2	69.6	0	0	112.3	R517 K518 F519 E523 K524 K525	R517-M521 VanDerWaalsContact O-CG 3.24Å; R517-M521 WeakPolarHBondContact O-CB 3.29Å; R517-M521 PolarHBondContact O-N 2.95Å; R517-M521 WeakPolarHBondContact O-CG 3.37Å; K518-M521 PolarHBondContact O-N 3.22Å; F519-M521 VanDerWaalsContact C-N 3.35Å; F519-M521 PolarHBondContact O-N 3.08Å; M521-E523 VanDerWaalsContact C-N 3.33Å; M521-K524 PolarHBondContact O-N 2.97Å; M521-K525 WeakPolarHBondContact O-CB 2.91Å; M521-K525 PolarHBondContact O-N 2.95Å
522	S	60.5	Low	67.7	Low	62 Å²	62	127.7 Å²	127.7	43%	0.434	60%	0.597	S	S	.	*	H	α-helix	trans	-62.8	-40.2	174.9	-172.9	0	0	0	0	111.7	K518 F519 K525 R526	K518-S522 VanDerWaalsContact O-CB 3.3Å; K518-S522 WeakPolarHBondContact O-CB 3.37Å; K518-S522 PolarHBondContact O-N 2.76Å; F519-S522 PolarHBondContact O-N 3.46Å; S522-K525 PolarHBondContact O-N 3.33Å; S522-R526 PolarHBondContact O-N 3.34Å
523	E	59.5	Low	65.9	Low	112 Å²	112	133.6 Å²	133.6	52%	0.523	62%	0.616	S	S	.	*	H	α-helix	trans	-68.3	-41.5	176.8	-157.9	178.4	-172	0	0	112.6	F519 M521 K525 R526 R527	F519-E523 WeakPolarHBondContact O-CB 3.27Å; F519-E523 PolarHBondContact O-N 2.91Å; M521-E523 VanDerWaalsContact C-N 3.33Å; E523-K525 VanDerWaalsContact C-N 3.33Å; E523-K525 PolarHBondContact O-N 3.34Å; E523-R526 PolarHBondContact O-N 2.8Å; E523-R527 PolarHBondContact O-N 2.79Å
524	K	59.4	Low	63.9	Low	166 Å²	166	139 Å²	139	72%	0.722	65%	0.645	S	S	*	*	H	α-helix	trans	-59.5	-41.3	170.3	-80.3	-177.3	178.4	-179.1	0	112	C520 M521 R527 G528	C520-K524 WeakPolarHBondContact O-CG 3.14Å; C520-K524 PolarHBondContact O-N 3.42Å; M521-K524 PolarHBondContact O-N 2.97Å; K524-R527 PolarHBondContact O-N 2.93Å; K524-G528 PolarHBondContact O-N 2.9Å
525	K	59.1	Low	62.7	Low	160 Å²	160	139.9 Å²	139.9	70%	0.696	65%	0.65	S	S	*	*	H	α-helix	trans	-67.3	-39.6	177.8	-148.2	174.3	-173.9	-179.4	0	111.9	M521 S522 E523 G528 N529	M521-K525 WeakPolarHBondContact O-CB 2.91Å; M521-K525 PolarHBondContact O-N 2.95Å; S522-K525 PolarHBondContact O-N 3.33Å; E523-K525 VanDerWaalsContact C-N 3.33Å; E523-K525 PolarHBondContact O-N 3.34Å; K525-G528 PolarHBondContact O-N 2.98Å; K525-N529 PolarHBondContact O-N 2.98Å
526	R	57.8	Low	61.7	Low	195 Å²	195	143.7 Å²	143.7	74%	0.736	66%	0.663	S	S	*	*	H	α-helix	trans	-63.9	-43	172.1	-87.3	-178.9	161.7	178.3	-4.3	112.8	S522 E523 R530	S522-R526 PolarHBondContact O-N 3.34Å; E523-R526 PolarHBondContact O-N 2.8Å; R526-R530 PolarHBondContact O-N 2.99Å; R526-R530 VanDerWaalsContact O-N 3.12Å
527	R	57.6	Low	60.7	Low	181 Å²	181	147.7 Å²	147.7	68%	0.683	67%	0.673	S	S	*	*	H	α-helix	trans	-66.4	-38.8	175.3	-79.1	-177.6	173.5	-175.5	-0.8	112.7	E523 K524 R530 K531	E523-R527 PolarHBondContact O-N 2.79Å; K524-R527 PolarHBondContact O-N 2.93Å; R527-R530 PolarHBondContact O-N 3.31Å; R527-K531 PolarHBondContact O-N 3.38Å
528	G	59.3	Low	59.7	Low	37 Å²	37	145.8 Å²	145.8	38%	0.381	67%	0.672	S	S	.	*	H	α-helix	trans	-64.7	-40.7	175.1	0	0	0	0	0	113.5	K524 K525 K531 K532	K524-G528 PolarHBondContact O-N 2.9Å; K525-G528 PolarHBondContact O-N 2.98Å; G528-K531 PolarHBondContact O-N 3.3Å; G528-K532 PolarHBondContact O-N 3.23Å
529	N	57.3	Low	58.7	Low	105 Å²	105	146.6 Å²	146.6	56%	0.561	68%	0.678	S	S	*	*	H	α-helix	trans	-70.8	-29.6	175.4	-81.1	-1.1	0	0	0	113.3	K525 K532	K525-N529 PolarHBondContact O-N 2.98Å; N529-K532 PolarHBondContact O-N 3.32Å
530	R	55.9	Low	57.9	Low	205 Å²	205	145.9 Å²	145.9	77%	0.774	68%	0.678	S	S	*	*	H	α-helix	trans	-66.9	-34.9	170.7	-92.3	-177.7	174	171.9	-2.1	112.7	R526 R527 K532 K533	R526-R530 PolarHBondContact O-N 2.99Å; R526-R530 VanDerWaalsContact O-N 3.12Å; R527-R530 PolarHBondContact O-N 3.31Å; R530-K532 VanDerWaalsContact C-N 3.33Å; R530-K532 PolarHBondContact O-N 3.14Å; R530-K533 PolarHBondContact O-N 2.66Å
531	K	55.9	Low	57.2	Low	180 Å²	180	151.1 Å²	151.1	78%	0.783	69%	0.691	S	S	*	*	H	α-helix	trans	-73.5	-16.1	176	-82	-171	173.4	-171.9	0	114.9	R527 G528	R527-K531 PolarHBondContact O-N 3.38Å; G528-K531 PolarHBondContact O-N 3.3Å
532	K	56	Low	56.7	Low	183 Å²	183	152.2 Å²	152.2	80%	0.796	69%	0.692	S	S	*	*	T	Hydrogen-bonded Turn	trans	-93.4	-5	175.5	-81.3	-172.3	173.6	-173.4	0	113.9	G528 N529 R530	G528-K532 PolarHBondContact O-N 3.23Å; N529-K532 PolarHBondContact O-N 3.32Å; R530-K532 VanDerWaalsContact C-N 3.33Å; R530-K532 PolarHBondContact O-N 3.14Å
533	K	52.4	Low	56.3	Low	189 Å²	189	159.8 Å²	159.8	82%	0.822	71%	0.714	S	S	*	*			trans	-108.1	-0.9	-177.9	-93.8	-169.6	172.3	-169.6	0	114	R530	R530-K533 PolarHBondContact O-N 2.66Å
534	N	46	Very low	56	Low	204 Å²	204	164.1 Å²	164.1	100%	1.091	73%	0.731	S	S	*	*			trans	-110.4	0	161	-70.7	2.9	0	0	0	107

Retrieved 534 of 534 residues in 346.7 ms (Link to these results)

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