A0A077ZBQ0_TRITR Loading...

Transferrin domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZBQ0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 694 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	48.9	Very low	51	Low	209 Å²	209	129.6 Å²	129.6	100%	1.03	68%	0.682	S	S	*	*				0	-31.3	0	-75.4	-174.6	-174.5	0	0	114	S3 I4	M1-S3 PolarHBondContact O-N 3.14Å; M1-I4 PolarHBondContact O-N 3.2Å
2	I	52	Low	50	Low	138 Å²	138	125.2 Å²	125.2	71%	0.708	67%	0.669	S	S	*	*	H	α-helix	trans	-68.3	-33.2	-178.1	-63.1	165.8	0	0	0	113	I4 L5	I2-I4 VanDerWaalsContact C-N 3.3Å; I2-I4 PolarHBondContact O-N 3.22Å; I2-L5 PolarHBondContact O-N 3.47Å
3	S	52.6	Low	49.5	Very low	103 Å²	103	124.4 Å²	124.4	72%	0.72	68%	0.68	S	S	*	*	H	α-helix	trans	-70.3	-19.8	-179.1	-50.1	0	0	0	0	114.9	M1	M1-S3 PolarHBondContact O-N 3.14Å
4	I	54.5	Low	48.8	Very low	120 Å²	120	127.8 Å²	127.8	62%	0.615	69%	0.692	S	S	*	*	H	α-helix	trans	-81.5	-31	180	-60.7	174.5	0	0	0	110.7	M1 I2 A7 L8	M1-I4 PolarHBondContact O-N 3.2Å; I2-I4 VanDerWaalsContact C-N 3.3Å; I2-I4 PolarHBondContact O-N 3.22Å; I4-A7 PolarHBondContact O-N 2.9Å; I4-L8 HydrophobicContact CG2-CD1 4.47Å; I4-L8 PolarHBondContact O-N 3.36Å
5	L	51.9	Low	48.6	Very low	107 Å²	107	122.8 Å²	122.8	56%	0.56	68%	0.682	S	S	*	*	H	α-helix	trans	-69.7	-34.7	177.5	-82.8	154.9	0	0	0	112.4	I2 A7 L8 F9	I2-L5 PolarHBondContact O-N 3.47Å; L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.42Å; L5-L8 PolarHBondContact O-N 2.96Å; L5-F9 WeakPolarHBondContact O-CD2 3.45Å; L5-F9 PolarHBondContact O-N 3.33Å
6	L	51.4	Low	48.4	Very low	129 Å²	129	122.4 Å²	122.4	68%	0.675	69%	0.686	S	S	*	*	H	α-helix	trans	-69.5	-29.1	177	-79.5	159.6	0	0	0	113.2
7	A	52.7	Low	48.2	Very low	57 Å²	57	126.4 Å²	126.4	47%	0.471	70%	0.695	S	S	.	*	H	α-helix	trans	-73.2	-33.5	175	0	0	0	0	0	112.3	I4 L5 A10	I4-A7 PolarHBondContact O-N 2.9Å; L5-A7 VanDerWaalsContact C-N 3.34Å; L5-A7 PolarHBondContact O-N 3.42Å; A7-A10 PolarHBondContact O-N 2.97Å
8	L	50.7	Low	48.6	Very low	109 Å²	109	124.7 Å²	124.7	57%	0.571	69%	0.692	S	S	*	*	H	α-helix	trans	-74.3	-29.6	179.3	-73.1	167.6	0	0	0	113	I4 L5 A10	I4-L8 HydrophobicContact CG2-CD1 4.47Å; I4-L8 PolarHBondContact O-N 3.36Å; L5-L8 PolarHBondContact O-N 2.96Å; L8-A10 VanDerWaalsContact C-N 3.34Å
9	F	49.6	Very low	49.8	Very low	157 Å²	157	124.6 Å²	124.6	69%	0.689	69%	0.686	S	S	*	*	H	α-helix	trans	-76.3	-17.9	174.4	-87.4	-79.2	0	0	0	114.3	L5 W11 S12	L5-F9 WeakPolarHBondContact O-CD2 3.45Å; L5-F9 PolarHBondContact O-N 3.33Å; F9-W11 VanDerWaalsContact C-N 3.35Å; F9-S12 PolarHBondContact O-OG 2.91Å
10	A	50.4	Low	51.6	Low	75 Å²	75	119.1 Å²	119.1	62%	0.62	66%	0.656	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.2	-11.6	177	0	0	0	0	0	113.7	A7 L8	A7-A10 PolarHBondContact O-N 2.97Å; L8-A10 VanDerWaalsContact C-N 3.34Å
11	W	45.8	Very low	53.6	Low	222 Å²	222	113.4 Å²	113.4	84%	0.841	63%	0.625	S	S	*	*	S	Bend	trans	-96.8	-6.9	-179.6	-74	-7.5	0	0	0	114.7	F9 S13	F9-W11 VanDerWaalsContact C-N 3.35Å; W11-S13 PolarHBondContact O-N 3.33Å
12	S	39.5	Very low	55.8	Low	76 Å²	76	105.8 Å²	105.8	53%	0.531	59%	0.585	S	S	.	*	S	Bend	trans	-94.6	90.4	170.1	52	0	0	0	0	110.6	F9	F9-S12 PolarHBondContact O-OG 2.91Å
13	S	43	Very low	58	Low	115 Å²	115	99.3 Å²	99.3	80%	0.804	55%	0.552	S	S	*	*	S	Bend	trans	154.1	0.5	140.5	61.5	0	0	0	0	116.2	W11 G15	W11-S13 PolarHBondContact O-N 3.33Å; S13-G15 PolarHBondContact O-N 2.93Å
14	M	40.8	Very low	60.1	Low	172 Å²	172	94.5 Å²	94.5	85%	0.847	52%	0.518	S	S	*	.			trans	-81.4	65.7	168.3	-62.8	-168.5	101.7	0	0	110.3
15	G	44.6	Very low	62	Low	53 Å²	53	89.4 Å²	89.4	55%	0.546	49%	0.493	S	S	.	.			trans	-51	141.3	164.4	0	0	0	0	0	108.9	S13 K17	S13-G15 PolarHBondContact O-N 2.93Å; G15-K17 PolarHBondContact O-N 3.45Å
16	P	46.5	Very low	63.8	Low	116 Å²	116	87.5 Å²	87.5	75%	0.753	48%	0.478	S	S	*	.			trans	-53.8	116.1	-175.6	20.8	-31.5	0	0	0	108.5	C18	P16-C18 PolarHBondContact O-N 2.85Å
17	K	45.2	Very low	65.6	Low	191 Å²	191	83.7 Å²	83.7	83%	0.83	46%	0.458	S	S	*	.			trans	-49.3	110.3	176	-81.8	-177.5	176	177.7	0	107.2	G15 E19	G15-K17 PolarHBondContact O-N 3.45Å; K17-E19 PolarHBondContact O-N 2.89Å
18	C	54.4	Low	67.3	Low	96 Å²	96	82.3 Å²	82.3	65%	0.649	45%	0.445	S	S	*	.			trans	-59	108.3	173.4	-85.5	0	0	0	0	106.7	P16 S20	P16-C18 PolarHBondContact O-N 2.85Å; C18-S20 PolarHBondContact O-N 3.28Å; C18-S20 VanDerWaalsContact O-N 3.11Å
19	E	72.1	Confident	69.1	Low	123 Å²	123	79.8 Å²	79.8	58%	0.575	45%	0.445	S	S	*	.			trans	-67.8	111	-178.7	-170	-178.2	-173.7	0	0	109.1	K17 Q286	K17-E19 PolarHBondContact O-N 2.89Å; E19-Q286 PolarHBondContact O-NE2 2.9Å
20	S	85.7	Confident	71.1	Confident	13 Å²	13	77.6 Å²	77.6	9%	0.091	43%	0.433	C	S	.	.			trans	-40.1	139.2	176.3	-160.8	0	0	0	0	114.1	C18 R22 D50 R52	C18-S20 PolarHBondContact O-N 3.28Å; C18-S20 VanDerWaalsContact O-N 3.11Å; S20-R22 PolarHBondContact O-N 2.93Å; S20-D50 CarbonylContact C-O 3.57Å; S20-D50 WeakPolarHBondContact CA-O 3.29Å; S20-D50 VanDerWaalsContact CA-OD2 3.26Å; S20-D50 WeakPolarHBondContact CA-OD2 3.49Å; S20-D50 WeakPolarHBondContact CB-OD1 3.42Å; S20-D50 WeakPolarHBondContact CB-OD2 3.42Å; S20-D50 PolarHBondContact N-OD2 3.46Å; S20-D50 PolarHBondContact OG-O 2.03Å; S20-D50 PolarHBondContact OG-OD1 3.05Å; S20-D50 PolarHBondContact OG-OD2 3.35Å; S20-R52 WeakPolarHBondContact OG-CG 3.41Å
21	I	93	Very high	73	Confident	1 Å²	1	74.5 Å²	74.5	1%	0.005	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76	114.2	165.4	-63.5	-56.6	0	0	0	109	W23 D50 F51 R52 D72 K283 Q286 V287 T290	I21-W23 PolarHBondContact O-N 3.46Å; I21-D50 PolarHBondContact N-O 3.31Å; I21-F51 HydrophobicContact CB-CD2 4Å; I21-F51 HydrophobicContact CG2-CD2 3.88Å; I21-F51 HydrophobicContact CG2-CE2 3.99Å; I21-R52 PolarHBondContact O-N 3.35Å; I21-D72 HydrophobicContact CG2-CB 4.41Å; I21-K283 HydrophobicContact CD1-CD 4.43Å; I21-Q286 HydrophobicContact CD1-CB 4.33Å; I21-Q286 HydrophobicContact CD1-CG 3.81Å; I21-Q286 HydrophobicContact CG1-CG 4.35Å; I21-V287 HydrophobicContact CD1-CG2 3.74Å; I21-T290 HydrophobicContact CG1-CG2 4.3Å
22	R	96.1	Very high	75.3	Confident	49 Å²	49	68 Å²	68	19%	0.185	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	97.9	174.6	-62.9	171.7	-67.6	168.3	3.5	110	S20 R52 V54 G69 S70 D72 S73	S20-R22 PolarHBondContact O-N 2.93Å; R22-R52 CarbonylContact C-O 3.18Å; R22-R52 WeakPolarHBondContact CA-O 3.42Å; R22-R52 HydrophobicContact CG-CG 4.37Å; R22-R52 VanDerWaalsContact CG-CZ 3.47Å; R22-V54 HydrophobicContact CB-CG1 3.93Å; R22-V54 HydrophobicContact CB-CG2 4.36Å; R22-V54 HydrophobicContact CG-CG1 4.29Å; R22-G69 PolarHBondContact NH1-O 3.43Å; R22-G69 PolarHBondContact NH2-O 2.9Å; R22-S70 PolarHBondContact NH1-O 2.94Å; R22-D72 HydrophobicContact CB-CB 4.32Å; R22-D72 WeakPolarHBondContact CB-OD2 3.47Å; R22-D72 IonicContact CZ-OD1 2.63Å; R22-D72 PolarHBondContact N-OD2 3.16Å; R22-D72 IonicContact NE-OD1 3.81Å; R22-D72 PolarHBondContact NE-OD1 3.44Å; R22-D72 IonicContact NE-OD2 2.94Å; R22-D72 PolarHBondContact NE-OD2 2.78Å; R22-D72 VanDerWaalsContact NE-OD2 3.17Å; R22-D72 IonicContact NH2-OD1 3.91Å; R22-D72 PolarHBondContact NH2-OD1 3.11Å; R22-D72 IonicContact NH2-OD2 3.7Å; R22-D72 PolarHBondContact O-N 3.24Å; R22-S73 PolarHBondContact O-N 2.89Å
23	W	96.8	Very high	77.9	Confident	2 Å²	2	69.5 Å²	69.5	1%	0.008	38%	0.384	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	115.6	-176.9	-171.5	-104.5	0	0	0	111.9	I21 F51 R52 C53 V54 S73 N75 F273 L291 M309 V310	I21-W23 PolarHBondContact O-N 3.46Å; W23-F51 HydrophobicContact CB-CD1 4.28Å; W23-F51 HydrophobicContact CB-CE1 3.52Å; W23-F51 HydrophobicContact CB-CE2 4.06Å; W23-F51 HydrophobicContact CB-CZ 3.42Å; W23-F51 VanDerWaalsContact CB-CZ 3.42Å; W23-F51 AromaticContact CD1-CZ 3.89Å; W23-F51 HydrophobicContact CD2-CE1 4.21Å; W23-F51 AromaticContact CD2-CE2 4Å; W23-F51 HydrophobicContact CD2-CE2 4Å; W23-F51 AromaticContact CD2-CZ 3.36Å; W23-F51 HydrophobicContact CD2-CZ 3.36Å; W23-F51 AromaticContact CE3-CE2 3.73Å; W23-F51 HydrophobicContact CE3-CE2 3.73Å; W23-F51 AromaticContact CE3-CZ 3.59Å; W23-F51 HydrophobicContact CE3-CZ 3.59Å; W23-F51 AromaticContact CG-CE1 3.64Å; W23-F51 HydrophobicContact CG-CE1 3.64Å; W23-F51 HydrophobicContact CG-CE2 4.15Å; W23-F51 AromaticContact CG-CZ 3.27Å; W23-F51 HydrophobicContact CG-CZ 3.27Å; W23-F51 HydrophobicContact CZ3-CE2 4.32Å; W23-F51 HydrophobicContact CZ3-CZ 4.32Å; W23-R52 PolarHBondContact N-O 2.92Å; W23-C53 CarbonylContact O-C 3.45Å; W23-C53 VanDerWaalsContact O-CA 3.27Å; W23-C53 WeakPolarHBondContact O-CA 3.21Å; W23-V54 PolarHBondContact O-N 2.97Å; W23-S73 WeakPolarHBondContact CZ3-OG 3.32Å; W23-N75 HydrophobicContact CH2-CB 4.46Å; W23-N75 HydrophobicContact CZ2-CB 3.99Å; W23-F273 AromaticContact CH2-CD1 3.42Å; W23-F273 HydrophobicContact CH2-CD1 3.42Å; W23-F273 VanDerWaalsContact CH2-CD1 3.42Å; W23-F273 AromaticContact CH2-CE1 3.58Å; W23-F273 HydrophobicContact CH2-CE1 3.58Å; W23-F273 HydrophobicContact CZ2-CD1 4.33Å; W23-F273 HydrophobicContact CZ2-CE1 4.2Å; W23-F273 HydrophobicContact CZ3-CD1 4.2Å; W23-L291 HydrophobicContact CH2-CD2 3.82Å; W23-L291 HydrophobicContact CZ3-CD2 3.89Å; W23-M309 PolarHBondContact NE1-O 2.88Å; W23-V310 HydrophobicContact CH2-CG1 4.4Å; W23-V310 HydrophobicContact CZ2-CG1 4.3Å
24	C	97.3	Very high	80.4	Confident	2 Å²	2	64.2 Å²	64.2	1%	0.014	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	126.8	-177.2	-159.4	0	0	0	0	112.4	V54 C62 A71 S73 M74	C24-V54 WeakPolarHBondContact CA-O 3.01Å; C24-V54 HydrophobicContact CB-CG2 3.82Å; C24-C62 VanDerWaalsContact C-SG 3.53Å; C24-C62 HydrophobicContact CB-CB 3.64Å; C24-C62 WeakPolarHBondContact CB-SG 3.4Å; C24-C62 WeakPolarHBondContact SG-CA 3.46Å; C24-C62 WeakPolarHBondContact SG-CB 3.45Å; C24-C62 CovalentContact SG-SG 2.04Å; C24-C62 PolarHBondContact SG-SG 2.74Å; C24-A71 HydrophobicContact CB-CB 3.77Å; C24-S73 PolarHBondContact N-O 2.87Å; C24-M74 HydrophobicContact CB-CB 4.48Å
25	V	93.9	Very high	82.9	Confident	13 Å²	13	56 Å²	56	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	157.1	172.5	-65.5	0	0	0	0	110.2	D27 C53 V54 Y55 G56 M309	V25-D27 PolarHBondContact O-N 3.16Å; V25-C53 HydrophobicContact CG2-CB 4.1Å; V25-V54 PolarHBondContact N-O 3.26Å; V25-Y55 HydrophobicContact CG2-CD1 3.93Å; V25-Y55 HydrophobicContact CG2-CE1 3.95Å; V25-Y55 WeakPolarHBondContact O-CA 3.34Å; V25-G56 PolarHBondContact O-N 3.49Å; V25-M309 HydrophobicContact CG1-SD 4.13Å
26	R	89.9	Confident	85.3	Confident	67 Å²	67	55.5 Å²	55.5	25%	0.253	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-61	136.8	175.1	-175	-179	73.8	178.2	3.8	110.2	S28 N31 G56 D617	R26-S28 PolarHBondContact O-N 2.93Å; R26-N31 WeakPolarHBondContact O-CB 3.34Å; R26-N31 PolarHBondContact O-ND2 3.26Å; R26-G56 CarbonylContact C-O 3.17Å; R26-G56 WeakPolarHBondContact CA-O 3.47Å; R26-D617 PolarHBondContact NH1-O 3.09Å
27	D	89.4	Confident	87.6	Confident	48 Å²	48	53.4 Å²	53.4	26%	0.257	28%	0.277	S	S	.	.			trans	-70.2	115.5	174.6	-161.9	3.1	0	0	0	111	V25 Q32 G56 M626	V25-D27 PolarHBondContact O-N 3.16Å; D27-Q32 PolarHBondContact OD1-NE2 3.45Å; D27-G56 PolarHBondContact N-O 3.05Å; D27-M626 HydrophobicContact CB-CE 4.4Å; D27-M626 WeakPolarHBondContact OD2-CE 3.45Å
28	S	87.9	Confident	89.9	Confident	29 Å²	29	44.3 Å²	44.3	20%	0.203	24%	0.237	C	C	.	.			trans	-158.8	150.6	168.4	74	0	0	0	0	109.2	R26 Y30 N31 Q32	R26-S28 PolarHBondContact O-N 2.93Å; S28-Y30 PolarHBondContact O-N 3.48Å; S28-Y30 VanDerWaalsContact O-N 3.12Å; S28-N31 PolarHBondContact O-N 3.07Å; S28-N31 WeakPolarHBondContact OG-CB 3.31Å; S28-N31 VanDerWaalsContact OG-CG 3.31Å; S28-N31 PolarHBondContact OG-N 3.14Å; S28-N31 VanDerWaalsContact OG-N 3.11Å; S28-Q32 WeakPolarHBondContact O-CG 3.38Å; S28-Q32 PolarHBondContact O-N 3.36Å
29	G	89.4	Confident	91.7	Very high	55 Å²	55	42.9 Å²	42.9	57%	0.567	22%	0.221	S	C	*	.	H	α-helix	trans	-53.5	-37.2	177.6	0	0	0	0	0	112.8	Q32 Q33	G29-Q32 PolarHBondContact O-N 3.37Å; G29-Q33 PolarHBondContact O-N 3.48Å
30	Y	90.5	Very high	92.6	Very high	111 Å²	111	41.5 Å²	41.5	44%	0.435	22%	0.215	S	C	.	.	H	α-helix	trans	-66.4	-42.4	175.4	-172.9	-114	0	0	0	113.4	S28 Q33 L34 R308	S28-Y30 PolarHBondContact O-N 3.48Å; S28-Y30 VanDerWaalsContact O-N 3.12Å; Y30-Q33 PolarHBondContact O-N 3.04Å; Y30-L34 HydrophobicContact CD1-CD1 3.97Å; Y30-L34 HydrophobicContact CE1-CD1 3.48Å; Y30-L34 VanDerWaalsContact CE1-CD1 3.48Å; Y30-L34 HydrophobicContact CE1-CG 4.27Å; Y30-L34 WeakPolarHBondContact O-CG 3.44Å; Y30-L34 PolarHBondContact O-N 3.48Å; Y30-R308 VanDerWaalsContact CE1-CZ 3.5Å
31	N	91.8	Very high	93	Very high	11 Å²	11	42.7 Å²	42.7	6%	0.059	22%	0.22	C	C	.	.	H	α-helix	trans	-70.8	-35.1	178.1	-74	-3.4	0	0	0	111.7	R26 S28 L34 C35 M309	R26-N31 WeakPolarHBondContact O-CB 3.34Å; R26-N31 PolarHBondContact O-ND2 3.26Å; S28-N31 PolarHBondContact O-N 3.07Å; S28-N31 WeakPolarHBondContact OG-CB 3.31Å; S28-N31 VanDerWaalsContact OG-CG 3.31Å; S28-N31 PolarHBondContact OG-N 3.14Å; S28-N31 VanDerWaalsContact OG-N 3.11Å; N31-L34 PolarHBondContact O-N 3.47Å; N31-C35 WeakPolarHBondContact O-CB 3.35Å; N31-C35 PolarHBondContact O-N 2.97Å; N31-M309 HydrophobicContact CB-CE 4Å; N31-M309 WeakPolarHBondContact OD1-CE 3.25Å
32	Q	93.5	Very high	92.9	Very high	84 Å²	84	43 Å²	43	39%	0.393	22%	0.221	S	C	.	.	H	α-helix	trans	-61.3	-44.3	173	-68.2	175.6	8.4	0	0	111.1	D27 S28 G29 C35 A36 Y55	D27-Q32 PolarHBondContact OD1-NE2 3.45Å; S28-Q32 WeakPolarHBondContact O-CG 3.38Å; S28-Q32 PolarHBondContact O-N 3.36Å; G29-Q32 PolarHBondContact O-N 3.37Å; Q32-C35 PolarHBondContact O-N 3.3Å; Q32-A36 PolarHBondContact O-N 3.34Å; Q32-Y55 HydrophobicContact CB-CE1 4.44Å; Q32-Y55 HydrophobicContact CG-CD1 4.28Å; Q32-Y55 HydrophobicContact CG-CE1 3.68Å
33	Q	94.9	Very high	92.5	Very high	109 Å²	109	47.7 Å²	47.7	51%	0.509	25%	0.246	S	C	.	.	H	α-helix	trans	-61.5	-48.4	175.6	-173.8	-176.3	12.3	0	0	112	G29 Y30 C35 A36 Q37	G29-Q33 PolarHBondContact O-N 3.48Å; Y30-Q33 PolarHBondContact O-N 3.04Å; Q33-C35 VanDerWaalsContact C-N 3.28Å; Q33-C35 PolarHBondContact O-N 3.28Å; Q33-A36 PolarHBondContact O-N 3.46Å; Q33-Q37 WeakPolarHBondContact O-CG 3.23Å; Q33-Q37 PolarHBondContact O-N 3.41Å
34	L	94.5	Very high	92.2	Very high	3 Å²	3	56 Å²	56	2%	0.016	28%	0.277	C	S	.	.	H	α-helix	trans	-63.1	-35.8	177.6	-73	178.8	0	0	0	112.2	Y30 N31 Q37 M38 A304 W305 R308 M309	Y30-L34 HydrophobicContact CD1-CD1 3.97Å; Y30-L34 HydrophobicContact CE1-CD1 3.48Å; Y30-L34 VanDerWaalsContact CE1-CD1 3.48Å; Y30-L34 HydrophobicContact CE1-CG 4.27Å; Y30-L34 WeakPolarHBondContact O-CG 3.44Å; Y30-L34 PolarHBondContact O-N 3.48Å; N31-L34 PolarHBondContact O-N 3.47Å; L34-Q37 PolarHBondContact O-N 2.75Å; L34-M38 WeakPolarHBondContact O-CB 3.3Å; L34-M38 PolarHBondContact O-N 2.91Å; L34-A304 HydrophobicContact CD2-CB 4.2Å; L34-W305 HydrophobicContact CB-CB 4.2Å; L34-W305 HydrophobicContact CD2-CB 4.26Å; L34-R308 HydrophobicContact CD1-CB 4.16Å; L34-R308 HydrophobicContact CD1-CG 4.19Å; L34-M309 HydrophobicContact CB-CE 4.05Å; L34-M309 HydrophobicContact CB-CG 3.93Å; L34-M309 HydrophobicContact CB-SD 3.93Å; L34-M309 HydrophobicContact CD1-CE 3.93Å
35	C	94.7	Very high	91.6	Very high	0 Å²	0	62 Å²	62	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.8	-45.7	175	-176	0	0	0	0	111.9	N31 Q32 Q33 Q37 M38 Q39 C53	N31-C35 WeakPolarHBondContact O-CB 3.35Å; N31-C35 PolarHBondContact O-N 2.97Å; Q32-C35 PolarHBondContact O-N 3.3Å; Q33-C35 VanDerWaalsContact C-N 3.28Å; Q33-C35 PolarHBondContact O-N 3.28Å; C35-Q37 VanDerWaalsContact C-N 3.31Å; C35-Q37 PolarHBondContact O-N 3.18Å; C35-M38 WeakPolarHBondContact O-CB 3.48Å; C35-M38 PolarHBondContact O-N 3.27Å; C35-Q39 WeakPolarHBondContact O-CG 3.45Å; C35-Q39 PolarHBondContact O-N 3.4Å; C35-C53 HydrophobicContact CB-CB 3.91Å; C35-C53 WeakPolarHBondContact CB-SG 3.36Å; C35-C53 WeakPolarHBondContact SG-CB 3Å; C35-C53 CovalentContact SG-SG 2.01Å; C35-C53 PolarHBondContact SG-SG 3.45Å
36	A	94.2	Very high	90.8	Very high	42 Å²	42	68 Å²	68	35%	0.347	33%	0.331	S	S	.	.	H	α-helix	trans	-59.8	-42.7	176.6	0	0	0	0	0	111.7	Q32 Q33 Q39 Q40	Q32-A36 PolarHBondContact O-N 3.34Å; Q33-A36 PolarHBondContact O-N 3.46Å; A36-Q39 PolarHBondContact O-N 3.48Å; A36-Q40 WeakPolarHBondContact O-CG 3.44Å; A36-Q40 PolarHBondContact O-N 2.94Å; A36-Q40 VanDerWaalsContact O-N 3.12Å
37	Q	93.9	Very high	89.9	Confident	72 Å²	72	66 Å²	66	34%	0.336	33%	0.326	S	S	.	.	H	α-helix	trans	-60.6	-47.3	174.3	-70.4	173.6	6.7	0	0	111.8	Q33 L34 C35 Q39 Q40 D41	Q33-Q37 WeakPolarHBondContact O-CG 3.23Å; Q33-Q37 PolarHBondContact O-N 3.41Å; L34-Q37 PolarHBondContact O-N 2.75Å; C35-Q37 VanDerWaalsContact C-N 3.31Å; C35-Q37 PolarHBondContact O-N 3.18Å; Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-Q39 PolarHBondContact O-N 3.49Å; Q37-Q40 PolarHBondContact O-N 2.92Å; Q37-D41 PolarHBondContact O-N 3.23Å
38	M	93.6	Very high	88.5	Confident	0 Å²	0	68.2 Å²	68.2	0%	0	35%	0.346	C	S	.	.	H	α-helix	trans	-57.8	-45.5	177.1	176.6	-179.3	66.9	0	0	111.8	L34 C35 Q40 D41 L42 F51 C53 W305 M309 V310	L34-M38 WeakPolarHBondContact O-CB 3.3Å; L34-M38 PolarHBondContact O-N 2.91Å; C35-M38 WeakPolarHBondContact O-CB 3.48Å; C35-M38 PolarHBondContact O-N 3.27Å; M38-Q40 VanDerWaalsContact C-N 3.34Å; M38-Q40 PolarHBondContact O-N 3.4Å; M38-D41 PolarHBondContact O-N 3.49Å; M38-L42 HydrophobicContact CG-CD1 3.94Å; M38-L42 HydrophobicContact CG-CG 4.34Å; M38-L42 WeakPolarHBondContact O-CB 3.31Å; M38-L42 VanDerWaalsContact O-CG 3.23Å; M38-L42 WeakPolarHBondContact O-CG 3.5Å; M38-L42 PolarHBondContact O-N 3.5Å; M38-F51 HydrophobicContact CE-CD1 3.75Å; M38-F51 HydrophobicContact CE-CE1 3.46Å; M38-F51 VanDerWaalsContact CE-CE1 3.46Å; M38-F51 HydrophobicContact SD-CD1 4.3Å; M38-F51 HydrophobicContact SD-CE1 3.84Å; M38-C53 VanDerWaalsContact CE-SG 3.6Å; M38-W305 HydrophobicContact CB-CB 4.08Å; M38-W305 HydrophobicContact CB-CD2 3.55Å; M38-W305 HydrophobicContact CB-CE3 3.89Å; M38-W305 HydrophobicContact CB-CG 3.64Å; M38-W305 HydrophobicContact CG-CD2 3.63Å; M38-W305 HydrophobicContact CG-CE3 3.45Å; M38-W305 VanDerWaalsContact CG-CE3 3.45Å; M38-W305 HydrophobicContact CG-CG 4.26Å; M38-W305 HydrophobicContact CG-CH2 4.07Å; M38-W305 HydrophobicContact CG-CZ2 4.19Å; M38-W305 HydrophobicContact CG-CZ3 3.71Å; M38-W305 HydrophobicContact SD-CD2 4.31Å; M38-W305 HydrophobicContact SD-CE3 3.64Å; M38-W305 HydrophobicContact SD-CZ3 3.95Å; M38-M309 HydrophobicContact CE-CB 4.4Å; M38-M309 HydrophobicContact SD-CB 3.88Å; M38-M309 HydrophobicContact SD-CG 4.45Å; M38-V310 HydrophobicContact SD-CG2 3.47Å; M38-V310 WeakPolarHBondContact SD-CG2 3.48Å
39	Q	91.9	Very high	87.6	Confident	66 Å²	66	67.6 Å²	67.6	31%	0.308	34%	0.341	S	S	.	.	H	α-helix	trans	-62.6	-41	179.8	-72.1	179.8	-48.8	0	0	112.1	C35 A36 Q37 Q43	C35-Q39 WeakPolarHBondContact O-CG 3.45Å; C35-Q39 PolarHBondContact O-N 3.4Å; A36-Q39 PolarHBondContact O-N 3.48Å; Q37-Q39 VanDerWaalsContact C-N 3.34Å; Q37-Q39 PolarHBondContact O-N 3.49Å; Q39-Q43 VanDerWaalsContact O-CG 3.31Å; Q39-Q43 WeakPolarHBondContact O-CG 3.06Å; Q39-Q43 PolarHBondContact O-N 2.85Å; Q39-Q43 VanDerWaalsContact O-N 3.11Å
40	Q	92	Very high	87.1	Confident	95 Å²	95	68.8 Å²	68.8	44%	0.444	33%	0.334	S	S	.	.	H	α-helix	trans	-63.6	-43.3	174.6	-69.2	174.9	11.1	0	0	111.8	A36 Q37 M38 Q43 R44	A36-Q40 WeakPolarHBondContact O-CG 3.44Å; A36-Q40 PolarHBondContact O-N 2.94Å; A36-Q40 VanDerWaalsContact O-N 3.12Å; Q37-Q40 PolarHBondContact O-N 2.92Å; M38-Q40 VanDerWaalsContact C-N 3.34Å; M38-Q40 PolarHBondContact O-N 3.4Å; Q40-Q43 PolarHBondContact O-N 3.05Å; Q40-R44 WeakPolarHBondContact O-CG 3.19Å; Q40-R44 PolarHBondContact O-N 3.12Å
41	D	93.2	Very high	87.1	Confident	38 Å²	38	63.9 Å²	63.9	20%	0.203	32%	0.315	C	S	.	.	H	α-helix	trans	-66.2	-39.2	179.9	-73.9	-11.8	0	0	0	112.4	Q37 M38 R44 R45 F298 W305	Q37-D41 PolarHBondContact O-N 3.23Å; M38-D41 PolarHBondContact O-N 3.49Å; D41-R44 PolarHBondContact O-N 3.3Å; D41-R44 IonicContact OD1-NH1 2.73Å; D41-R44 PolarHBondContact OD1-NH1 3.28Å; D41-R44 VanDerWaalsContact OD1-NH1 3.07Å; D41-R45 PolarHBondContact O-N 2.89Å; D41-F298 HydrophobicContact CB-CE1 3.91Å; D41-F298 HydrophobicContact CB-CZ 3.84Å; D41-W305 HydrophobicContact CB-CZ2 4.17Å; D41-W305 PolarHBondContact OD2-NE1 3.21Å
42	L	91.6	Very high	87.1	Confident	6 Å²	6	68.3 Å²	68.3	3%	0.031	33%	0.331	C	S	.	.	H	α-helix	trans	-62.2	-42.4	174.6	-70.2	172.5	0	0	0	111.7	M38 N46 T47 F51 I294 F298	M38-L42 HydrophobicContact CG-CD1 3.94Å; M38-L42 HydrophobicContact CG-CG 4.34Å; M38-L42 WeakPolarHBondContact O-CB 3.31Å; M38-L42 VanDerWaalsContact O-CG 3.23Å; M38-L42 WeakPolarHBondContact O-CG 3.5Å; M38-L42 PolarHBondContact O-N 3.5Å; L42-N46 PolarHBondContact O-N 2.96Å; L42-T47 WeakPolarHBondContact CA-OG1 3.35Å; L42-T47 WeakPolarHBondContact CD2-OG1 3.48Å; L42-T47 PolarHBondContact O-N 2.89Å; L42-T47 PolarHBondContact O-OG1 2.85Å; L42-F51 HydrophobicContact CD1-CB 4.01Å; L42-F51 HydrophobicContact CD1-CD1 4.19Å; L42-F51 HydrophobicContact CD1-CG 4.34Å; L42-I294 HydrophobicContact CD2-CD1 4.24Å; L42-I294 HydrophobicContact CD2-CG1 3.73Å; L42-I294 HydrophobicContact CD2-CG2 4.39Å; L42-F298 HydrophobicContact CD2-CE2 3.85Å
43	Q	88.5	Confident	87.2	Confident	149 Å²	149	64.9 Å²	64.9	70%	0.696	32%	0.316	S	S	*	.	H	α-helix	trans	-62.8	-45.8	175	-72.8	172.3	-9.8	0	0	111.5	Q39 Q40 R45 N46	Q39-Q43 VanDerWaalsContact O-CG 3.31Å; Q39-Q43 WeakPolarHBondContact O-CG 3.06Å; Q39-Q43 PolarHBondContact O-N 2.85Å; Q39-Q43 VanDerWaalsContact O-N 3.11Å; Q40-Q43 PolarHBondContact O-N 3.05Å; Q43-R45 VanDerWaalsContact C-N 3.35Å; Q43-R45 PolarHBondContact O-N 3.47Å; Q43-N46 PolarHBondContact O-N 2.69Å
44	R	89.3	Confident	87.3	Confident	175 Å²	175	60.6 Å²	60.6	66%	0.66	30%	0.297	S	S	*	.	H	α-helix	trans	-61.5	-38.6	179.6	-74.4	177.3	-174.4	128.8	2.5	113.4	Q40 D41 N46	Q40-R44 WeakPolarHBondContact O-CG 3.19Å; Q40-R44 PolarHBondContact O-N 3.12Å; D41-R44 PolarHBondContact O-N 3.3Å; D41-R44 IonicContact OD1-NH1 2.73Å; D41-R44 PolarHBondContact OD1-NH1 3.28Å; D41-R44 VanDerWaalsContact OD1-NH1 3.07Å; R44-N46 PolarHBondContact O-N 2.87Å
45	R	85.9	Confident	87.2	Confident	128 Å²	128	64.6 Å²	64.6	48%	0.483	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.2	6.6	177.6	-68.4	-155.8	-179.9	-134	-10.1	113.6	D41 Q43 T47 A297 F298	D41-R45 PolarHBondContact O-N 2.89Å; Q43-R45 VanDerWaalsContact C-N 3.35Å; Q43-R45 PolarHBondContact O-N 3.47Å; R45-T47 HydrophobicContact CB-CG2 4.22Å; R45-T47 PolarHBondContact O-N 2.77Å; R45-A297 VanDerWaalsContact CZ-O 3.26Å; R45-A297 PolarHBondContact NH1-O 2.85Å; R45-F298 HydrophobicContact CB-CZ 4.33Å; R45-F298 VanDerWaalsContact CD-CZ 3.49Å; R45-F298 HydrophobicContact CG-CE1 4.32Å; R45-F298 HydrophobicContact CG-CE2 4.48Å; R45-F298 HydrophobicContact CG-CZ 3.84Å
46	N	76.9	Confident	87.1	Confident	141 Å²	141	64.6 Å²	64.6	75%	0.754	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	45.9	35.7	-175.2	-161.4	17.2	0	0	0	112.2	L42 Q43 R44 S48	L42-N46 PolarHBondContact O-N 2.96Å; Q43-N46 PolarHBondContact O-N 2.69Å; R44-N46 PolarHBondContact O-N 2.87Å; N46-S48 VanDerWaalsContact C-N 3.34Å; N46-S48 PolarHBondContact O-N 2.95Å
47	T	70.2	Confident	86.7	Confident	23 Å²	23	66.1 Å²	66.1	14%	0.141	32%	0.315	C	S	.	.			trans	-69.3	103.4	167.2	55.5	0	0	0	0	104.2	L42 R45 T49 A297	L42-T47 WeakPolarHBondContact CA-OG1 3.35Å; L42-T47 WeakPolarHBondContact CD2-OG1 3.48Å; L42-T47 PolarHBondContact O-N 2.89Å; L42-T47 PolarHBondContact O-OG1 2.85Å; R45-T47 HydrophobicContact CB-CG2 4.22Å; R45-T47 PolarHBondContact O-N 2.77Å; T47-T49 WeakPolarHBondContact CB-OG1 3.39Å; T47-T49 PolarHBondContact O-N 3.14Å; T47-T49 PolarHBondContact O-OG1 3.47Å; T47-T49 PolarHBondContact OG1-OG1 3.49Å; T47-A297 HydrophobicContact CG2-CB 3.84Å
48	S	60.9	Low	86.4	Confident	96 Å²	96	63.1 Å²	63.1	67%	0.671	30%	0.301	S	S	*	.			trans	-63.8	22.8	178.6	68.4	0	0	0	0	114	N46 D50	N46-S48 VanDerWaalsContact C-N 3.34Å; N46-S48 PolarHBondContact O-N 2.95Å; S48-D50 PolarHBondContact O-N 3.29Å
49	T	68.8	Low	86.3	Confident	16 Å²	16	65.1 Å²	65.1	10%	0.098	31%	0.31	C	S	.	.			trans	-85.9	105.3	178.8	51	0	0	0	0	109	T47 F51 T290 K293	T47-T49 WeakPolarHBondContact CB-OG1 3.39Å; T47-T49 PolarHBondContact O-N 3.14Å; T47-T49 PolarHBondContact O-OG1 3.47Å; T47-T49 PolarHBondContact OG1-OG1 3.49Å; T49-F51 PolarHBondContact O-N 3.36Å; T49-T290 HydrophobicContact CG2-CG2 3.88Å; T49-K293 HydrophobicContact CG2-CB 4.02Å; T49-K293 HydrophobicContact CG2-CD 3.58Å; T49-K293 HydrophobicContact CG2-CG 4.46Å
50	D	79.3	Confident	86.3	Confident	80 Å²	80	62.2 Å²	62.2	43%	0.428	30%	0.297	S	S	.	.			trans	-67.6	103.1	165.8	-170.9	0.5	0	0	0	108.2	S20 I21 S48	S20-D50 CarbonylContact C-O 3.57Å; S20-D50 WeakPolarHBondContact CA-O 3.29Å; S20-D50 VanDerWaalsContact CA-OD2 3.26Å; S20-D50 WeakPolarHBondContact CA-OD2 3.49Å; S20-D50 WeakPolarHBondContact CB-OD1 3.42Å; S20-D50 WeakPolarHBondContact CB-OD2 3.42Å; S20-D50 PolarHBondContact N-OD2 3.46Å; S20-D50 PolarHBondContact OG-O 2.03Å; S20-D50 PolarHBondContact OG-OD1 3.05Å; S20-D50 PolarHBondContact OG-OD2 3.35Å; I21-D50 PolarHBondContact N-O 3.31Å; S48-D50 PolarHBondContact O-N 3.29Å
51	F	89.4	Confident	86.4	Confident	8 Å²	8	59.3 Å²	59.3	4%	0.035	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	119.3	-176.1	-169.3	-84.8	0	0	0	108.7	I21 W23 M38 L42 T49 T290 I294 V310	I21-F51 HydrophobicContact CB-CD2 4Å; I21-F51 HydrophobicContact CG2-CD2 3.88Å; I21-F51 HydrophobicContact CG2-CE2 3.99Å; W23-F51 HydrophobicContact CB-CD1 4.28Å; W23-F51 HydrophobicContact CB-CE1 3.52Å; W23-F51 HydrophobicContact CB-CE2 4.06Å; W23-F51 HydrophobicContact CB-CZ 3.42Å; W23-F51 VanDerWaalsContact CB-CZ 3.42Å; W23-F51 AromaticContact CD1-CZ 3.89Å; W23-F51 HydrophobicContact CD2-CE1 4.21Å; W23-F51 AromaticContact CD2-CE2 4Å; W23-F51 HydrophobicContact CD2-CE2 4Å; W23-F51 AromaticContact CD2-CZ 3.36Å; W23-F51 HydrophobicContact CD2-CZ 3.36Å; W23-F51 AromaticContact CE3-CE2 3.73Å; W23-F51 HydrophobicContact CE3-CE2 3.73Å; W23-F51 AromaticContact CE3-CZ 3.59Å; W23-F51 HydrophobicContact CE3-CZ 3.59Å; W23-F51 AromaticContact CG-CE1 3.64Å; W23-F51 HydrophobicContact CG-CE1 3.64Å; W23-F51 HydrophobicContact CG-CE2 4.15Å; W23-F51 AromaticContact CG-CZ 3.27Å; W23-F51 HydrophobicContact CG-CZ 3.27Å; W23-F51 HydrophobicContact CZ3-CE2 4.32Å; W23-F51 HydrophobicContact CZ3-CZ 4.32Å; M38-F51 HydrophobicContact CE-CD1 3.75Å; M38-F51 HydrophobicContact CE-CE1 3.46Å; M38-F51 VanDerWaalsContact CE-CE1 3.46Å; M38-F51 HydrophobicContact SD-CD1 4.3Å; M38-F51 HydrophobicContact SD-CE1 3.84Å; L42-F51 HydrophobicContact CD1-CB 4.01Å; L42-F51 HydrophobicContact CD1-CD1 4.19Å; L42-F51 HydrophobicContact CD1-CG 4.34Å; T49-F51 PolarHBondContact O-N 3.36Å; F51-T290 HydrophobicContact CD2-CG2 3.63Å; F51-T290 HydrophobicContact CE2-CG2 4.3Å; F51-I294 HydrophobicContact CD2-CD1 3.77Å; F51-I294 HydrophobicContact CE2-CD1 3.84Å; F51-I294 HydrophobicContact CG-CD1 4.13Å; F51-I294 HydrophobicContact CZ-CD1 4.28Å; F51-V310 HydrophobicContact CE1-CG2 4.3Å; F51-V310 HydrophobicContact CZ-CG2 4.11Å
52	R	92.7	Very high	86.5	Confident	104 Å²	104	57.6 Å²	57.6	39%	0.392	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.3	145.8	-177.4	71	-175.1	-177.2	87.1	-11.7	111.7	S20 I21 R22 W23	S20-R52 WeakPolarHBondContact OG-CG 3.41Å; I21-R52 PolarHBondContact O-N 3.35Å; R22-R52 CarbonylContact C-O 3.18Å; R22-R52 WeakPolarHBondContact CA-O 3.42Å; R22-R52 HydrophobicContact CG-CG 4.37Å; R22-R52 VanDerWaalsContact CG-CZ 3.47Å; W23-R52 PolarHBondContact N-O 2.92Å
53	C	95	Very high	86.7	Confident	12 Å²	12	57.3 Å²	57.3	8%	0.081	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77	145.5	174	-55	0	0	0	0	111.7	W23 V25 C35 M38 Y55	W23-C53 CarbonylContact O-C 3.45Å; W23-C53 VanDerWaalsContact O-CA 3.27Å; W23-C53 WeakPolarHBondContact O-CA 3.21Å; V25-C53 HydrophobicContact CG2-CB 4.1Å; C35-C53 HydrophobicContact CB-CB 3.91Å; C35-C53 WeakPolarHBondContact CB-SG 3.36Å; C35-C53 WeakPolarHBondContact SG-CB 3Å; C35-C53 CovalentContact SG-SG 2.01Å; C35-C53 PolarHBondContact SG-SG 3.45Å; M38-C53 VanDerWaalsContact CE-SG 3.6Å; C53-Y55 HydrophobicContact CB-CE1 4.13Å
54	V	96	Very high	87.1	Confident	18 Å²	18	52.7 Å²	52.7	11%	0.109	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	151.8	159	-63.4	0	0	0	0	107.8	R22 W23 C24 V25 A71	R22-V54 HydrophobicContact CB-CG1 3.93Å; R22-V54 HydrophobicContact CB-CG2 4.36Å; R22-V54 HydrophobicContact CG-CG1 4.29Å; W23-V54 PolarHBondContact O-N 2.97Å; C24-V54 WeakPolarHBondContact CA-O 3.01Å; C24-V54 HydrophobicContact CB-CG2 3.82Å; V25-V54 PolarHBondContact N-O 3.26Å; V54-A71 HydrophobicContact CG2-CB 3.6Å
55	Y	93.7	Very high	87.4	Confident	87 Å²	87	45.9 Å²	45.9	34%	0.341	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.2	126.1	-167.6	-58.7	-74.6	0	0	0	110.5	V25 Q32 C53 Q65	V25-Y55 HydrophobicContact CG2-CD1 3.93Å; V25-Y55 HydrophobicContact CG2-CE1 3.95Å; V25-Y55 WeakPolarHBondContact O-CA 3.34Å; Q32-Y55 HydrophobicContact CB-CE1 4.44Å; Q32-Y55 HydrophobicContact CG-CD1 4.28Å; Q32-Y55 HydrophobicContact CG-CE1 3.68Å; C53-Y55 HydrophobicContact CB-CE1 4.13Å; Y55-Q65 PolarHBondContact O-NE2 3.38Å; Y55-Q65 VanDerWaalsContact O-NE2 3.1Å
56	G	91.7	Very high	88	Confident	1 Å²	1	39.8 Å²	39.8	1%	0.01	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	151.7	173.9	0	0	0	0	0	112.3	V25 R26 D27 N58 D61 Q65	V25-G56 PolarHBondContact O-N 3.49Å; R26-G56 CarbonylContact C-O 3.17Å; R26-G56 WeakPolarHBondContact CA-O 3.47Å; D27-G56 PolarHBondContact N-O 3.05Å; G56-N58 PolarHBondContact O-N 2.81Å; G56-D61 WeakPolarHBondContact CA-OD2 3.5Å; G56-Q65 VanDerWaalsContact CA-NE2 3.35Å
57	L	86.8	Confident	89	Confident	73 Å²	73	37.8 Å²	37.8	38%	0.382	19%	0.187	S	C	.	.	S	Bend	trans	-59.7	-34.3	179.6	-66.1	168.8	0	0	0	111.9	D61 M626 E627	L57-D61 HydrophobicContact CB-CB 4.13Å; L57-D61 PolarHBondContact N-OD2 3.11Å; L57-M626 HydrophobicContact CD2-CB 3.88Å; L57-M626 HydrophobicContact CD2-CE 4.37Å; L57-E627 HydrophobicContact CD1-CG 4.06Å
58	N	87.3	Confident	90.2	Very high	9 Å²	9	40.6 Å²	40.6	5%	0.048	21%	0.207	C	C	.	.	S	Bend	trans	-161.8	-179.5	179.1	61.7	52.5	0	0	0	109.1	G56 I60 D61 C62 K618 E627	G56-N58 PolarHBondContact O-N 2.81Å; N58-I60 VanDerWaalsContact C-N 3.31Å; N58-I60 PolarHBondContact O-N 3.2Å; N58-I60 WeakPolarHBondContact OD1-CA 3.27Å; N58-I60 WeakPolarHBondContact OD1-CB 3.22Å; N58-I60 PolarHBondContact OD1-N 2.92Å; N58-D61 PolarHBondContact O-N 3.09Å; N58-D61 PolarHBondContact OD1-N 2.96Å; N58-C62 PolarHBondContact O-N 3.24Å; N58-K618 WeakPolarHBondContact CB-O 3.45Å; N58-E627 PolarHBondContact ND2-OE1 3.14Å; N58-E627 VanDerWaalsContact ND2-OE1 3.09Å
59	Q	90.6	Very high	91.8	Very high	43 Å²	43	37.4 Å²	37.4	20%	0.201	19%	0.19	C	C	.	.	H	α-helix	trans	-64.8	-35.5	-177.6	-75	172.3	-39.9	0	0	112.9	D61 C62 M63 M74 E80 K618	Q59-D61 VanDerWaalsContact C-N 3.35Å; Q59-C62 WeakPolarHBondContact O-CB 3.36Å; Q59-C62 PolarHBondContact O-N 3.03Å; Q59-M63 HydrophobicContact CB-CE 4.48Å; Q59-M63 WeakPolarHBondContact O-CG 3.45Å; Q59-M63 PolarHBondContact O-N 3.39Å; Q59-M74 HydrophobicContact CB-CE 4.36Å; Q59-M74 HydrophobicContact CG-CE 4.38Å; Q59-E80 PolarHBondContact NE2-OE1 3.09Å; Q59-E80 PolarHBondContact NE2-OE2 3.02Å; Q59-E80 PolarHBondContact OE1-OE1 3.39Å; Q59-K618 PolarHBondContact N-O 2.97Å
60	I	92.9	Very high	93.1	Very high	5 Å²	5	39.7 Å²	39.7	3%	0.026	21%	0.206	C	C	.	.	H	α-helix	trans	-64.8	-41.8	177.8	-60.6	-56.4	0	0	0	110.7	N58 C62 M63 Q64 V83 M371 F619	N58-I60 VanDerWaalsContact C-N 3.31Å; N58-I60 PolarHBondContact O-N 3.2Å; N58-I60 WeakPolarHBondContact OD1-CA 3.27Å; N58-I60 WeakPolarHBondContact OD1-CB 3.22Å; N58-I60 PolarHBondContact OD1-N 2.92Å; I60-C62 VanDerWaalsContact C-N 3.34Å; I60-M63 HydrophobicContact CD1-CE 4.15Å; I60-M63 HydrophobicContact CD1-SD 3.93Å; I60-M63 PolarHBondContact O-N 3.33Å; I60-Q64 WeakPolarHBondContact O-CG 3.28Å; I60-Q64 PolarHBondContact O-N 2.84Å; I60-V83 HydrophobicContact CD1-CG1 4.36Å; I60-M371 HydrophobicContact CD1-CB 3.92Å; I60-M371 HydrophobicContact CG2-CB 4.28Å; I60-M371 HydrophobicContact CG2-CE 3.37Å; I60-M371 HydrophobicContact CG2-SD 4.16Å; I60-F619 HydrophobicContact CG1-CD2 4.21Å
61	D	92.8	Very high	94	Very high	34 Å²	34	35.9 Å²	35.9	18%	0.182	19%	0.186	C	C	.	.	H	α-helix	trans	-61.2	-42.9	173.3	-177.4	59.4	0	0	0	111.1	G56 L57 N58 Q59 M63 Q64 Q65	G56-D61 WeakPolarHBondContact CA-OD2 3.5Å; L57-D61 HydrophobicContact CB-CB 4.13Å; L57-D61 PolarHBondContact N-OD2 3.11Å; N58-D61 PolarHBondContact O-N 3.09Å; N58-D61 PolarHBondContact OD1-N 2.96Å; Q59-D61 VanDerWaalsContact C-N 3.35Å; D61-M63 VanDerWaalsContact C-N 3.35Å; D61-M63 PolarHBondContact O-N 2.88Å; D61-Q64 CarbonylContact O-C 3.46Å; D61-Q64 WeakPolarHBondContact O-CB 3.4Å; D61-Q64 PolarHBondContact O-N 3.45Å; D61-Q64 VanDerWaalsContact O-N 3.09Å; D61-Q65 WeakPolarHBondContact O-CG 3.47Å; D61-Q65 PolarHBondContact O-N 3.45Å; D61-Q65 PolarHBondContact OD2-NE2 3.32Å
62	C	95.6	Very high	94.4	Very high	1 Å²	1	36.2 Å²	36.2	1%	0.007	19%	0.188	C	C	.	.	H	α-helix	trans	-59.2	-42.3	173.2	-87.2	0	0	0	0	113.2	C24 N58 Q59 I60 Q64 Q65 I66 M74	C24-C62 VanDerWaalsContact C-SG 3.53Å; C24-C62 HydrophobicContact CB-CB 3.64Å; C24-C62 WeakPolarHBondContact CB-SG 3.4Å; C24-C62 WeakPolarHBondContact SG-CA 3.46Å; C24-C62 WeakPolarHBondContact SG-CB 3.45Å; C24-C62 CovalentContact SG-SG 2.04Å; C24-C62 PolarHBondContact SG-SG 2.74Å; N58-C62 PolarHBondContact O-N 3.24Å; Q59-C62 WeakPolarHBondContact O-CB 3.36Å; Q59-C62 PolarHBondContact O-N 3.03Å; I60-C62 VanDerWaalsContact C-N 3.34Å; C62-Q64 VanDerWaalsContact C-N 3.3Å; C62-Q64 PolarHBondContact O-N 2.94Å; C62-Q65 PolarHBondContact O-N 3.44Å; C62-I66 WeakPolarHBondContact O-CG1 3.44Å; C62-I66 PolarHBondContact O-N 3.17Å; C62-M74 HydrophobicContact CB-CE 3.53Å; C62-M74 HydrophobicContact CB-SD 3.6Å; C62-M74 VanDerWaalsContact CB-SD 3.6Å
63	M	97.2	Very high	94.6	Very high	0 Å²	0	31.2 Å²	31.2	0%	0	17%	0.17	C	C	.	.	H	α-helix	trans	-62.1	-39.4	174.6	-61.5	170.5	-165.7	0	0	111.6	Q59 I60 D61 I66 R67 M74 L76 E80 A84 L88 L90	Q59-M63 HydrophobicContact CB-CE 4.48Å; Q59-M63 WeakPolarHBondContact O-CG 3.45Å; Q59-M63 PolarHBondContact O-N 3.39Å; I60-M63 HydrophobicContact CD1-CE 4.15Å; I60-M63 HydrophobicContact CD1-SD 3.93Å; I60-M63 PolarHBondContact O-N 3.33Å; D61-M63 VanDerWaalsContact C-N 3.35Å; D61-M63 PolarHBondContact O-N 2.88Å; M63-I66 PolarHBondContact O-N 3.14Å; M63-R67 PolarHBondContact O-N 3Å; M63-M74 HydrophobicContact CG-SD 3.85Å; M63-L76 HydrophobicContact CE-CD1 3.83Å; M63-L76 HydrophobicContact CE-CD2 3.51Å; M63-L76 HydrophobicContact CE-CG 4.32Å; M63-L76 HydrophobicContact CG-CD1 4.14Å; M63-L76 HydrophobicContact CG-CD2 4.43Å; M63-L76 HydrophobicContact SD-CD1 4.38Å; M63-E80 HydrophobicContact CE-CB 3.77Å; M63-E80 HydrophobicContact CE-CG 4Å; M63-A84 HydrophobicContact CG-CB 4.32Å; M63-A84 HydrophobicContact SD-CB 3.94Å; M63-L88 HydrophobicContact CB-CD1 3.54Å; M63-L90 HydrophobicContact CB-CD1 4.12Å
64	Q	95.2	Very high	94.7	Very high	52 Å²	52	31.1 Å²	31.1	24%	0.243	17%	0.168	C	C	.	.	H	α-helix	trans	-65.6	-40.8	175.9	-71.9	174.2	-31.4	0	0	111.7	I60 D61 C62 I66 R67 S68 L88 M371	I60-Q64 WeakPolarHBondContact O-CG 3.28Å; I60-Q64 PolarHBondContact O-N 2.84Å; D61-Q64 CarbonylContact O-C 3.46Å; D61-Q64 WeakPolarHBondContact O-CB 3.4Å; D61-Q64 PolarHBondContact O-N 3.45Å; D61-Q64 VanDerWaalsContact O-N 3.09Å; C62-Q64 VanDerWaalsContact C-N 3.3Å; C62-Q64 PolarHBondContact O-N 2.94Å; Q64-I66 VanDerWaalsContact C-N 3.32Å; Q64-I66 PolarHBondContact O-N 3.3Å; Q64-R67 WeakPolarHBondContact O-CB 3.5Å; Q64-R67 PolarHBondContact O-N 2.92Å; Q64-R67 VanDerWaalsContact O-N 3.17Å; Q64-S68 PolarHBondContact O-N 3.27Å; Q64-S68 PolarHBondContact O-OG 3.26Å; Q64-L88 HydrophobicContact CG-CD1 4.19Å; Q64-L88 HydrophobicContact CG-CD2 4.42Å; Q64-M371 HydrophobicContact CG-CE 4.32Å
65	Q	96.8	Very high	94.7	Very high	33 Å²	33	31.4 Å²	31.4	15%	0.154	17%	0.169	C	C	.	.	H	α-helix	trans	-63.3	-36.6	174.4	-70.7	-171.8	38.5	0	0	112.2	Y55 G56 D61 C62 S68 G69 S70 A71	Y55-Q65 PolarHBondContact O-NE2 3.38Å; Y55-Q65 VanDerWaalsContact O-NE2 3.1Å; G56-Q65 VanDerWaalsContact CA-NE2 3.35Å; D61-Q65 WeakPolarHBondContact O-CG 3.47Å; D61-Q65 PolarHBondContact O-N 3.45Å; D61-Q65 PolarHBondContact OD2-NE2 3.32Å; C62-Q65 PolarHBondContact O-N 3.44Å; Q65-S68 WeakPolarHBondContact CA-OG 3.3Å; Q65-S68 PolarHBondContact O-OG 3.31Å; Q65-S68 VanDerWaalsContact O-OG 3.08Å; Q65-G69 PolarHBondContact O-N 2.99Å; Q65-S70 PolarHBondContact O-N 2.96Å; Q65-A71 HydrophobicContact CB-CB 3.96Å; Q65-A71 PolarHBondContact O-N 2.88Å
66	I	98.3	Very high	94.9	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	15%	0.153	C	C	.	.	H	α-helix	trans	-66.7	-42.4	172.8	-65.8	168.4	0	0	0	110.3	C62 M63 Q64 S68 G69 A71 M74 L90 V274 S276	C62-I66 WeakPolarHBondContact O-CG1 3.44Å; C62-I66 PolarHBondContact O-N 3.17Å; M63-I66 PolarHBondContact O-N 3.14Å; Q64-I66 VanDerWaalsContact C-N 3.32Å; Q64-I66 PolarHBondContact O-N 3.3Å; I66-S68 PolarHBondContact O-N 3.02Å; I66-G69 PolarHBondContact O-N 3.46Å; I66-A71 WeakPolarHBondContact CA-O 3.33Å; I66-A71 HydrophobicContact CG1-CB 3.75Å; I66-M74 HydrophobicContact CD1-CB 3.8Å; I66-M74 HydrophobicContact CD1-CG 3.42Å; I66-M74 VanDerWaalsContact CD1-CG 3.42Å; I66-M74 HydrophobicContact CD1-SD 3.7Å; I66-L90 HydrophobicContact CB-CD1 4.09Å; I66-L90 HydrophobicContact CG2-CD1 3.95Å; I66-L90 HydrophobicContact CG2-CD2 4.04Å; I66-V274 HydrophobicContact CD1-CG2 4.07Å; I66-S276 WeakPolarHBondContact O-CB 3.39Å
67	R	97.5	Very high	95	Very high	98 Å²	98	28.7 Å²	28.7	37%	0.37	16%	0.16	S	C	.	.	H	α-helix	trans	-61.4	-42.6	177.4	176.2	56.1	-171.8	-141.1	9.8	112	M63 Q64 G69 L88 L90	M63-R67 PolarHBondContact O-N 3Å; Q64-R67 WeakPolarHBondContact O-CB 3.5Å; Q64-R67 PolarHBondContact O-N 2.92Å; Q64-R67 VanDerWaalsContact O-N 3.17Å; R67-G69 VanDerWaalsContact C-N 3.29Å; R67-L88 HydrophobicContact CB-CB 4.36Å; R67-L88 WeakPolarHBondContact CD-O 3.46Å; R67-L88 HydrophobicContact CG-CB 4.46Å; R67-L88 HydrophobicContact CG-CD2 4.49Å; R67-L88 PolarHBondContact NH1-O 2.89Å; R67-L90 HydrophobicContact CB-CD2 3.95Å
68	S	95.7	Very high	95.5	Very high	82 Å²	82	25.3 Å²	25.3	57%	0.573	14%	0.142	S	C	*	.	H	α-helix	trans	-76.3	-13.7	178.5	65.1	0	0	0	0	113.8	Q64 Q65 I66 S70	Q64-S68 PolarHBondContact O-N 3.27Å; Q64-S68 PolarHBondContact O-OG 3.26Å; Q65-S68 WeakPolarHBondContact CA-OG 3.3Å; Q65-S68 PolarHBondContact O-OG 3.31Å; Q65-S68 VanDerWaalsContact O-OG 3.08Å; I66-S68 PolarHBondContact O-N 3.02Å; S68-S70 PolarHBondContact OG-OG 3.22Å; S68-S70 VanDerWaalsContact OG-OG 3.1Å
69	G	95.5	Very high	95.8	Very high	30 Å²	30	25.5 Å²	25.5	31%	0.309	14%	0.143	S	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	15	-175.5	0	0	0	0	0	114.1	R22 Q65 I66 R67 A71	R22-G69 PolarHBondContact NH1-O 3.43Å; R22-G69 PolarHBondContact NH2-O 2.9Å; Q65-G69 PolarHBondContact O-N 2.99Å; I66-G69 PolarHBondContact O-N 3.46Å; R67-G69 VanDerWaalsContact C-N 3.29Å; G69-A71 VanDerWaalsContact C-N 3.35Å
70	S	95.9	Very high	96.1	Very high	63 Å²	63	23.7 Å²	23.7	44%	0.441	14%	0.135	S	C	.	.	S	Bend	trans	-74.6	-28.4	169.4	-57.2	0	0	0	0	111.9	R22 Q65 S68	R22-S70 PolarHBondContact NH1-O 2.94Å; Q65-S70 PolarHBondContact O-N 2.96Å; S68-S70 PolarHBondContact OG-OG 3.22Å; S68-S70 VanDerWaalsContact OG-OG 3.1Å
71	A	97.4	Very high	96.3	Very high	1 Å²	1	23.6 Å²	23.6	1%	0.008	13%	0.134	C	C	.	.			trans	-122.4	160.1	170.1	0	0	0	0	0	110.6	C24 V54 Q65 I66 G69	C24-A71 HydrophobicContact CB-CB 3.77Å; V54-A71 HydrophobicContact CG2-CB 3.6Å; Q65-A71 HydrophobicContact CB-CB 3.96Å; Q65-A71 PolarHBondContact O-N 2.88Å; I66-A71 WeakPolarHBondContact CA-O 3.33Å; I66-A71 HydrophobicContact CG1-CB 3.75Å; G69-A71 VanDerWaalsContact C-N 3.35Å
72	D	97	Very high	96.5	Very high	14 Å²	14	22.1 Å²	22.1	8%	0.075	13%	0.126	C	C	.	.			trans	-102.6	-38.3	-178.2	-65.6	-43	0	0	0	113	I21 R22 K283	I21-D72 HydrophobicContact CG2-CB 4.41Å; R22-D72 HydrophobicContact CB-CB 4.32Å; R22-D72 WeakPolarHBondContact CB-OD2 3.47Å; R22-D72 IonicContact CZ-OD1 2.63Å; R22-D72 PolarHBondContact N-OD2 3.16Å; R22-D72 IonicContact NE-OD1 3.81Å; R22-D72 PolarHBondContact NE-OD1 3.44Å; R22-D72 IonicContact NE-OD2 2.94Å; R22-D72 PolarHBondContact NE-OD2 2.78Å; R22-D72 VanDerWaalsContact NE-OD2 3.17Å; R22-D72 IonicContact NH2-OD1 3.91Å; R22-D72 PolarHBondContact NH2-OD1 3.11Å; R22-D72 IonicContact NH2-OD2 3.7Å; R22-D72 PolarHBondContact O-N 3.24Å; D72-K283 WeakPolarHBondContact OD1-CE 3.37Å; D72-K283 IonicContact OD1-NZ 2.71Å; D72-K283 PolarHBondContact OD1-NZ 3.27Å; D72-K283 WeakPolarHBondContact OD2-CE 3.39Å; D72-K283 IonicContact OD2-NZ 3.89Å; D72-K283 PolarHBondContact OD2-NZ 3.2Å
73	S	97.4	Very high	96.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.126	C	C	.	.	B	Isolated β-bridge	trans	-159.5	164.3	-177.7	-169.7	0	0	0	0	112.7	R22 W23 C24 V274	R22-S73 PolarHBondContact O-N 2.89Å; W23-S73 WeakPolarHBondContact CZ3-OG 3.32Å; C24-S73 PolarHBondContact N-O 2.87Å; S73-V274 VanDerWaalsContact CA-O 3.25Å; S73-V274 WeakPolarHBondContact CA-O 3.19Å; S73-V274 WeakPolarHBondContact CB-O 3.17Å; S73-V274 PolarHBondContact OG-O 3.22Å
74	M	97.2	Very high	96.6	Very high	9 Å²	9	22.1 Å²	22.1	4%	0.044	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-156	166	168.3	73	-172.2	-62.5	0	0	110.1	C24 Q59 C62 M63 I66 L76 F273 V274	C24-M74 HydrophobicContact CB-CB 4.48Å; Q59-M74 HydrophobicContact CB-CE 4.36Å; Q59-M74 HydrophobicContact CG-CE 4.38Å; C62-M74 HydrophobicContact CB-CE 3.53Å; C62-M74 HydrophobicContact CB-SD 3.6Å; C62-M74 VanDerWaalsContact CB-SD 3.6Å; M63-M74 HydrophobicContact CG-SD 3.85Å; I66-M74 HydrophobicContact CD1-CB 3.8Å; I66-M74 HydrophobicContact CD1-CG 3.42Å; I66-M74 VanDerWaalsContact CD1-CG 3.42Å; I66-M74 HydrophobicContact CD1-SD 3.7Å; M74-L76 HydrophobicContact CE-CD2 3.46Å; M74-L76 VanDerWaalsContact CE-CD2 3.46Å; M74-L76 HydrophobicContact CE-CG 4.48Å; M74-L76 HydrophobicContact CG-CD1 4.46Å; M74-L76 HydrophobicContact CG-CD2 3.88Å; M74-L76 HydrophobicContact CG-CG 3.89Å; M74-L76 HydrophobicContact SD-CD1 4.48Å; M74-L76 HydrophobicContact SD-CD2 3.65Å; M74-L76 HydrophobicContact SD-CG 4.18Å; M74-F273 WeakPolarHBondContact O-CA 3.24Å; M74-V274 HydrophobicContact CG-CG2 3.92Å; M74-V274 PolarHBondContact O-N 2.84Å
75	N	97.1	Very high	96.8	Very high	25 Å²	25	19.9 Å²	19.9	13%	0.134	12%	0.117	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	129	172.9	-172.8	-54.2	0	0	0	110.5	W23 E96 N271 F273 V310	W23-N75 HydrophobicContact CH2-CB 4.46Å; W23-N75 HydrophobicContact CZ2-CB 3.99Å; N75-E96 PolarHBondContact ND2-OE1 3.41Å; N75-N271 WeakPolarHBondContact OD1-CB 3.36Å; N75-N271 PolarHBondContact OD1-ND2 2.9Å; N75-F273 HydrophobicContact CB-CD1 4.15Å; N75-F273 HydrophobicContact CB-CE1 3.85Å; N75-F273 WeakPolarHBondContact ND2-CE1 3.22Å; N75-F273 WeakPolarHBondContact ND2-CZ 3.46Å; N75-V310 WeakPolarHBondContact CB-O 3.34Å; N75-V310 PolarHBondContact ND2-O 2.89Å
76	L	96.7	Very high	96.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	142.6	-179.2	-66.5	-175.2	0	0	0	111.9	M63 M74 E80 V81 A84 N271 A272 V274	M63-L76 HydrophobicContact CE-CD1 3.83Å; M63-L76 HydrophobicContact CE-CD2 3.51Å; M63-L76 HydrophobicContact CE-CG 4.32Å; M63-L76 HydrophobicContact CG-CD1 4.14Å; M63-L76 HydrophobicContact CG-CD2 4.43Å; M63-L76 HydrophobicContact SD-CD1 4.38Å; M74-L76 HydrophobicContact CE-CD2 3.46Å; M74-L76 VanDerWaalsContact CE-CD2 3.46Å; M74-L76 HydrophobicContact CE-CG 4.48Å; M74-L76 HydrophobicContact CG-CD1 4.46Å; M74-L76 HydrophobicContact CG-CD2 3.88Å; M74-L76 HydrophobicContact CG-CG 3.89Å; M74-L76 HydrophobicContact SD-CD1 4.48Å; M74-L76 HydrophobicContact SD-CD2 3.65Å; M74-L76 HydrophobicContact SD-CG 4.18Å; L76-E80 WeakPolarHBondContact CA-OE2 3.4Å; L76-E80 HydrophobicContact CB-CB 3.82Å; L76-E80 HydrophobicContact CD1-CB 4.29Å; L76-E80 HydrophobicContact CD2-CB 3.94Å; L76-E80 HydrophobicContact CD2-CG 4.48Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.39Å; L76-E80 HydrophobicContact CG-CB 4.23Å; L76-V81 HydrophobicContact CB-CG2 3.75Å; L76-A84 HydrophobicContact CD1-CB 3.65Å; L76-N271 CarbonylContact O-C 3.49Å; L76-N271 WeakPolarHBondContact O-CA 3.38Å; L76-N271 VanDerWaalsContact O-CB 3.3Å; L76-N271 WeakPolarHBondContact O-CB 3.22Å; L76-A272 PolarHBondContact N-O 3.5Å; L76-A272 PolarHBondContact O-N 3.35Å; L76-V274 HydrophobicContact CD1-CB 4.37Å; L76-V274 HydrophobicContact CD1-CG1 3.92Å; L76-V274 HydrophobicContact CD1-CG2 3.56Å; L76-V274 HydrophobicContact CG-CG2 4.08Å
77	D	94.8	Very high	96.6	Very high	31 Å²	31	27.6 Å²	27.6	17%	0.166	15%	0.145	C	C	.	.			trans	-72.9	173.9	168.6	68.3	33.1	0	0	0	112.6	E79 E80 V81 K618	D77-E79 PolarHBondContact O-N 3.49Å; D77-E79 PolarHBondContact OD1-N 3.05Å; D77-E80 VanDerWaalsContact CG-CD 3.48Å; D77-E80 PolarHBondContact N-OE2 3.45Å; D77-E80 PolarHBondContact O-N 2.93Å; D77-E80 VanDerWaalsContact OD1-CB 3.32Å; D77-E80 WeakPolarHBondContact OD1-CB 3.18Å; D77-E80 WeakPolarHBondContact OD1-CG 3.43Å; D77-E80 PolarHBondContact OD1-N 2.83Å; D77-V81 WeakPolarHBondContact O-CG2 3.5Å; D77-V81 PolarHBondContact O-N 3.38Å; D77-K618 IonicContact OD2-NZ 2.73Å; D77-K618 PolarHBondContact OD2-NZ 3.28Å
78	A	96	Very high	96.6	Very high	1 Å²	1	24.1 Å²	24.1	1%	0.008	13%	0.133	C	C	.	.	H	α-helix	trans	-61.2	-42.1	-174.3	0	0	0	0	0	113.3	V81 Y82 R268 L333 F337	A78-V81 PolarHBondContact O-N 2.99Å; A78-Y82 PolarHBondContact O-N 2.86Å; A78-Y82 VanDerWaalsContact O-N 3.09Å; A78-R268 HydrophobicContact CB-CG 3.63Å; A78-L333 HydrophobicContact CB-CD2 3.82Å; A78-F337 HydrophobicContact CB-CE1 4Å; A78-F337 HydrophobicContact CB-CE2 4.2Å; A78-F337 HydrophobicContact CB-CZ 3.56Å
79	E	94.1	Very high	96.7	Very high	14 Å²	14	23.4 Å²	23.4	7%	0.065	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-42.2	175.7	-74.3	77.5	-172.7	0	0	111.8	D77 Y82 V83 R268 F337 M341 T375 R377	D77-E79 PolarHBondContact O-N 3.49Å; D77-E79 PolarHBondContact OD1-N 3.05Å; E79-Y82 WeakPolarHBondContact O-CB 3.09Å; E79-Y82 PolarHBondContact O-N 3.45Å; E79-V83 PolarHBondContact O-N 3.34Å; E79-R268 IonicContact OE1-NH1 3.48Å; E79-R268 IonicContact OE2-NH1 2.61Å; E79-F337 HydrophobicContact CG-CZ 4.45Å; E79-M341 HydrophobicContact CB-CE 4.01Å; E79-M341 HydrophobicContact CG-CE 3.99Å; E79-M341 HydrophobicContact CG-SD 4.17Å; E79-T375 WeakPolarHBondContact CB-O 3.44Å; E79-R377 IonicContact OE1-CZ 3.61Å; E79-R377 IonicContact OE1-NH1 3.39Å; E79-R377 PolarHBondContact OE1-NH1 2.88Å; E79-R377 IonicContact OE1-NH2 3.37Å; E79-R377 PolarHBondContact OE1-NH2 2.71Å
80	E	96.5	Very high	96.8	Very high	5 Å²	5	22.2 Å²	22.2	2%	0.023	12%	0.115	C	C	.	.	H	α-helix	trans	-69.2	-38.7	176.7	-73	163.5	178	0	0	112.8	Q59 M63 L76 D77 Y82 V83 A84 T375 K618	Q59-E80 PolarHBondContact NE2-OE1 3.09Å; Q59-E80 PolarHBondContact NE2-OE2 3.02Å; Q59-E80 PolarHBondContact OE1-OE1 3.39Å; M63-E80 HydrophobicContact CE-CB 3.77Å; M63-E80 HydrophobicContact CE-CG 4Å; L76-E80 WeakPolarHBondContact CA-OE2 3.4Å; L76-E80 HydrophobicContact CB-CB 3.82Å; L76-E80 HydrophobicContact CD1-CB 4.29Å; L76-E80 HydrophobicContact CD2-CB 3.94Å; L76-E80 HydrophobicContact CD2-CG 4.48Å; L76-E80 WeakPolarHBondContact CD2-OE2 3.39Å; L76-E80 HydrophobicContact CG-CB 4.23Å; D77-E80 VanDerWaalsContact CG-CD 3.48Å; D77-E80 PolarHBondContact N-OE2 3.45Å; D77-E80 PolarHBondContact O-N 2.93Å; D77-E80 VanDerWaalsContact OD1-CB 3.32Å; D77-E80 WeakPolarHBondContact OD1-CB 3.18Å; D77-E80 WeakPolarHBondContact OD1-CG 3.43Å; D77-E80 PolarHBondContact OD1-N 2.83Å; E80-Y82 VanDerWaalsContact C-N 3.28Å; E80-Y82 PolarHBondContact O-N 2.94Å; E80-V83 PolarHBondContact O-N 3.31Å; E80-V83 VanDerWaalsContact O-N 3.17Å; E80-A84 VanDerWaalsContact O-CB 3.27Å; E80-A84 WeakPolarHBondContact O-CB 3.14Å; E80-A84 PolarHBondContact O-N 2.7Å; E80-T375 HydrophobicContact CG-CG2 4.37Å; E80-K618 WeakPolarHBondContact OE1-CD 3.4Å; E80-K618 WeakPolarHBondContact OE1-CE 3.3Å; E80-K618 IonicContact OE1-NZ 3.84Å; E80-K618 PolarHBondContact OE1-NZ 2.79Å
81	V	98.2	Very high	96.9	Very high	2 Å²	2	22.9 Å²	22.9	1%	0.012	11%	0.108	C	C	.	.	H	α-helix	trans	-61.5	-39.5	174.1	171.7	0	0	0	0	110.7	L76 D77 A78 G85 V92 A272 V274 Y332 L333	L76-V81 HydrophobicContact CB-CG2 3.75Å; D77-V81 WeakPolarHBondContact O-CG2 3.5Å; D77-V81 PolarHBondContact O-N 3.38Å; A78-V81 PolarHBondContact O-N 2.99Å; V81-G85 PolarHBondContact O-N 2.76Å; V81-V92 HydrophobicContact CG1-CG2 3.79Å; V81-A272 HydrophobicContact CG2-CB 3.74Å; V81-V274 HydrophobicContact CG2-CG1 4.33Å; V81-Y332 HydrophobicContact CG1-CD1 3.91Å; V81-Y332 HydrophobicContact CG1-CE1 4.45Å; V81-L333 HydrophobicContact CB-CD1 4.44Å; V81-L333 HydrophobicContact CB-CD2 4.44Å; V81-L333 HydrophobicContact CG1-CD1 4.17Å; V81-L333 HydrophobicContact CG1-CD2 4.37Å; V81-L333 HydrophobicContact CG1-CG 4.24Å
82	Y	97.4	Very high	96.9	Very high	4 Å²	4	22.9 Å²	22.9	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-58.7	-49.8	173.2	163.3	-96.5	0	0	0	110.4	A78 E79 E80 G85 R86 Y329 V338 M341 E342 A374	A78-Y82 PolarHBondContact O-N 2.86Å; A78-Y82 VanDerWaalsContact O-N 3.09Å; E79-Y82 WeakPolarHBondContact O-CB 3.09Å; E79-Y82 PolarHBondContact O-N 3.45Å; E80-Y82 VanDerWaalsContact C-N 3.28Å; E80-Y82 PolarHBondContact O-N 2.94Å; Y82-G85 PolarHBondContact O-N 2.89Å; Y82-R86 HydrophobicContact CE2-CB 4.16Å; Y82-R86 HydrophobicContact CE2-CG 4.38Å; Y82-R86 WeakPolarHBondContact O-CB 3.4Å; Y82-R86 PolarHBondContact O-N 2.78Å; Y82-Y329 HydrophobicContact CD2-CD2 4Å; Y82-Y329 AromaticContact CD2-CE2 3.76Å; Y82-Y329 HydrophobicContact CD2-CE2 3.76Å; Y82-Y329 HydrophobicContact CE2-CE2 4.06Å; Y82-V338 HydrophobicContact CD2-CG1 4.28Å; Y82-V338 HydrophobicContact CD2-CG2 4.41Å; Y82-V338 HydrophobicContact CE2-CG1 4.1Å; Y82-M341 HydrophobicContact CD1-CB 3.65Å; Y82-M341 HydrophobicContact CD1-CE 3.43Å; Y82-M341 VanDerWaalsContact CD1-CE 3.43Å; Y82-M341 HydrophobicContact CD1-CG 3.87Å; Y82-M341 HydrophobicContact CD1-SD 4.5Å; Y82-M341 HydrophobicContact CD2-CB 3.8Å; Y82-M341 HydrophobicContact CD2-CG 4.06Å; Y82-M341 HydrophobicContact CE1-CB 3.51Å; Y82-M341 HydrophobicContact CE1-CE 4.05Å; Y82-M341 HydrophobicContact CE1-CG 4.25Å; Y82-M341 HydrophobicContact CE2-CB 3.67Å; Y82-M341 HydrophobicContact CE2-CG 4.44Å; Y82-M341 HydrophobicContact CG-CB 3.79Å; Y82-M341 HydrophobicContact CG-CE 4.06Å; Y82-M341 HydrophobicContact CG-CG 3.76Å; Y82-E342 HydrophobicContact CE2-CG 3.79Å; Y82-E342 WeakPolarHBondContact OH-CG 3.42Å; Y82-A374 HydrophobicContact CE1-CB 4.31Å
83	V	96.6	Very high	96.9	Very high	0 Å²	0	22.2 Å²	22.2	0%	0	10%	0.104	C	C	.	.	H	α-helix	trans	-64	-48.4	-178.9	172.1	0	0	0	0	111.6	I60 E79 E80 G85 R86 Y87 M371 A374 T375	I60-V83 HydrophobicContact CD1-CG1 4.36Å; E79-V83 PolarHBondContact O-N 3.34Å; E80-V83 PolarHBondContact O-N 3.31Å; E80-V83 VanDerWaalsContact O-N 3.17Å; V83-G85 VanDerWaalsContact C-N 3.29Å; V83-G85 PolarHBondContact O-N 2.92Å; V83-R86 PolarHBondContact O-N 3.1Å; V83-Y87 HydrophobicContact CG1-CD2 4.01Å; V83-Y87 WeakPolarHBondContact O-CB 3.46Å; V83-Y87 WeakPolarHBondContact O-CD2 3.4Å; V83-Y87 PolarHBondContact O-N 3.14Å; V83-M371 HydrophobicContact CG1-CB 3.6Å; V83-M371 HydrophobicContact CG1-CG 3.89Å; V83-M371 WeakPolarHBondContact CG1-O 3.35Å; V83-M371 HydrophobicContact CG1-SD 4.43Å; V83-A374 HydrophobicContact CG2-CB 3.62Å; V83-T375 HydrophobicContact CB-CG2 4.08Å; V83-T375 HydrophobicContact CG1-CG2 4.38Å; V83-T375 HydrophobicContact CG2-CG2 3.54Å
84	A	98.1	Very high	96.9	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	11%	0.105	C	C	.	.	H	α-helix	trans	-56.8	-41.8	177.3	0	0	0	0	0	112.2	M63 L76 E80 L88 S89 L90	M63-A84 HydrophobicContact CG-CB 4.32Å; M63-A84 HydrophobicContact SD-CB 3.94Å; L76-A84 HydrophobicContact CD1-CB 3.65Å; E80-A84 VanDerWaalsContact O-CB 3.27Å; E80-A84 WeakPolarHBondContact O-CB 3.14Å; E80-A84 PolarHBondContact O-N 2.7Å; A84-L88 CarbonylContact O-C 3.21Å; A84-L88 WeakPolarHBondContact O-CA 3.36Å; A84-L88 WeakPolarHBondContact O-CB 3.32Å; A84-L88 PolarHBondContact O-N 3.48Å; A84-S89 PolarHBondContact O-N 3.27Å; A84-S89 VanDerWaalsContact O-N 3.13Å; A84-L90 HydrophobicContact CB-CB 4.08Å; A84-L90 HydrophobicContact CB-CD1 4.02Å; A84-L90 HydrophobicContact CB-CG 4.2Å; A84-L90 PolarHBondContact O-N 3.4Å
85	G	98	Very high	96.9	Very high	5 Å²	5	22.9 Å²	22.9	5%	0.052	11%	0.107	C	C	.	.	H	α-helix	trans	-73.7	-43.8	176.5	0	0	0	0	0	113.8	V81 Y82 V83 S89 Y329	V81-G85 PolarHBondContact O-N 2.76Å; Y82-G85 PolarHBondContact O-N 2.89Å; V83-G85 VanDerWaalsContact C-N 3.29Å; V83-G85 PolarHBondContact O-N 2.92Å; G85-S89 WeakPolarHBondContact O-CA 3.39Å; G85-S89 PolarHBondContact O-N 2.06Å; G85-Y329 VanDerWaalsContact C-CD1 3.44Å; G85-Y329 VanDerWaalsContact CA-CD1 3.45Å
86	R	95.8	Very high	96.8	Very high	126 Å²	126	21.7 Å²	21.7	48%	0.475	10%	0.1	S	C	.	.	H	α-helix	trans	-72.1	-38.8	-174.9	176	59.7	-174.9	84.1	-1.4	113.1	Y82 V83 Y329	Y82-R86 HydrophobicContact CE2-CB 4.16Å; Y82-R86 HydrophobicContact CE2-CG 4.38Å; Y82-R86 WeakPolarHBondContact O-CB 3.4Å; Y82-R86 PolarHBondContact O-N 2.78Å; V83-R86 PolarHBondContact O-N 3.1Å; R86-Y329 HydrophobicContact CB-CE2 4.35Å; R86-Y329 WeakPolarHBondContact CD-OH 3.18Å
87	Y	95.6	Very high	96.7	Very high	70 Å²	70	23.9 Å²	23.9	28%	0.275	11%	0.11	S	C	.	.	H	α-helix	trans	-100.7	-28.7	-173.6	-70.3	-95.9	0	0	0	113.2	V83 A370 M371 A374	V83-Y87 HydrophobicContact CG1-CD2 4.01Å; V83-Y87 WeakPolarHBondContact O-CB 3.46Å; V83-Y87 WeakPolarHBondContact O-CD2 3.4Å; V83-Y87 PolarHBondContact O-N 3.14Å; Y87-A370 HydrophobicContact CE1-CB 4.46Å; Y87-M371 HydrophobicContact CD1-CG 3.78Å; Y87-M371 HydrophobicContact CD2-CG 4.1Å; Y87-M371 HydrophobicContact CE1-CG 4.45Å; Y87-M371 HydrophobicContact CG-CG 3.58Å; Y87-M371 HydrophobicContact CG-SD 4.33Å; Y87-A374 HydrophobicContact CE2-CB 3.7Å
88	L	97.3	Very high	96.4	Very high	24 Å²	24	23.7 Å²	23.7	13%	0.126	11%	0.11	C	C	.	.	H	α-helix	trans	-121.9	-0.7	-175.6	-57	172.5	0	0	0	112.9	M63 Q64 R67 A84 L90 M371	M63-L88 HydrophobicContact CB-CD1 3.54Å; Q64-L88 HydrophobicContact CG-CD1 4.19Å; Q64-L88 HydrophobicContact CG-CD2 4.42Å; R67-L88 HydrophobicContact CB-CB 4.36Å; R67-L88 WeakPolarHBondContact CD-O 3.46Å; R67-L88 HydrophobicContact CG-CB 4.46Å; R67-L88 HydrophobicContact CG-CD2 4.49Å; R67-L88 PolarHBondContact NH1-O 2.89Å; A84-L88 CarbonylContact O-C 3.21Å; A84-L88 WeakPolarHBondContact O-CA 3.36Å; A84-L88 WeakPolarHBondContact O-CB 3.32Å; A84-L88 PolarHBondContact O-N 3.48Å; L88-L90 HydrophobicContact CB-CD2 4.26Å; L88-L90 HydrophobicContact CB-CG 4.05Å; L88-L90 PolarHBondContact O-N 3.36Å; L88-L90 VanDerWaalsContact O-N 3.13Å; L88-M371 HydrophobicContact CD1-SD 3.97Å; L88-M371 HydrophobicContact CD2-SD 4.2Å; L88-M371 HydrophobicContact CG-SD 3.93Å
89	S	97.8	Very high	95.9	Very high	68 Å²	68	29.5 Å²	29.5	48%	0.476	14%	0.137	S	C	.	.			trans	55.2	24.8	-176.8	-40.8	0	0	0	0	114.1	A84 G85 P277	A84-S89 PolarHBondContact O-N 3.27Å; A84-S89 VanDerWaalsContact O-N 3.13Å; G85-S89 WeakPolarHBondContact O-CA 3.39Å; G85-S89 PolarHBondContact O-N 2.06Å; S89-P277 VanDerWaalsContact O-CB 3.29Å; S89-P277 WeakPolarHBondContact O-CB 3.4Å; S89-P277 WeakPolarHBondContact O-CG 3.28Å
90	L	98.5	Very high	95.2	Very high	5 Å²	5	32.2 Å²	32.2	3%	0.026	16%	0.161	C	C	.	.			trans	-60.7	151.7	174.5	-58.4	-163.3	0	0	0	110.3	M63 I66 R67 A84 L88 V274	M63-L90 HydrophobicContact CB-CD1 4.12Å; I66-L90 HydrophobicContact CB-CD1 4.09Å; I66-L90 HydrophobicContact CG2-CD1 3.95Å; I66-L90 HydrophobicContact CG2-CD2 4.04Å; R67-L90 HydrophobicContact CB-CD2 3.95Å; A84-L90 HydrophobicContact CB-CB 4.08Å; A84-L90 HydrophobicContact CB-CD1 4.02Å; A84-L90 HydrophobicContact CB-CG 4.2Å; A84-L90 PolarHBondContact O-N 3.4Å; L88-L90 HydrophobicContact CB-CD2 4.26Å; L88-L90 HydrophobicContact CB-CG 4.05Å; L88-L90 PolarHBondContact O-N 3.36Å; L88-L90 VanDerWaalsContact O-N 3.13Å; L90-V274 HydrophobicContact CB-CB 4.22Å; L90-V274 HydrophobicContact CD1-CB 4.35Å; L90-V274 HydrophobicContact CD1-CG2 3.84Å
91	R	97.8	Very high	94.7	Very high	77 Å²	77	38 Å²	38	29%	0.291	18%	0.183	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	146.9	-174.7	-57.5	-178.1	63.7	88.9	0.5	110.4	V274 V275 S326 F327	R91-V274 CarbonylContact O-C 3.6Å; R91-V274 WeakPolarHBondContact O-CA 3.38Å; R91-V275 HydrophobicContact CB-CG2 4.29Å; R91-V275 PolarHBondContact N-O 3.2Å; R91-V275 PolarHBondContact O-N 3.34Å; R91-S326 PolarHBondContact NE-OG 3.46Å; R91-S326 PolarHBondContact NH2-O 3.04Å; R91-F327 CarbonylContact C-O 3.27Å; R91-F327 WeakPolarHBondContact CA-O 3.31Å
92	V	98.1	Very high	94.1	Very high	1 Å²	1	40.2 Å²	40.2	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83	117.7	177.8	172.4	0	0	0	0	109.5	V81 T94 Y95 A272 F273 V274 S326 F327 Y332	V81-V92 HydrophobicContact CG1-CG2 3.79Å; V92-T94 WeakPolarHBondContact CG1-O 3.39Å; V92-Y95 HydrophobicContact CG1-CD1 4.49Å; V92-A272 HydrophobicContact CG1-CB 3.83Å; V92-A272 HydrophobicContact CG2-CB 3.98Å; V92-F273 CarbonylContact C-O 3.43Å; V92-V274 HydrophobicContact CG2-CG1 4.38Å; V92-S326 CarbonylContact O-C 3.56Å; V92-S326 WeakPolarHBondContact O-CA 3.47Å; V92-S326 VanDerWaalsContact O-CB 3.28Å; V92-S326 WeakPolarHBondContact O-CB 3.46Å; V92-F327 HydrophobicContact CB-CB 4.27Å; V92-F327 PolarHBondContact N-O 3.12Å; V92-F327 PolarHBondContact O-N 3.41Å; V92-Y332 HydrophobicContact CG1-CD2 4.36Å; V92-Y332 HydrophobicContact CG1-CG 4.36Å; V92-Y332 HydrophobicContact CG2-CD1 4.05Å; V92-Y332 HydrophobicContact CG2-CG 4.07Å
93	A	97	Very high	93.9	Very high	0 Å²	0	42.9 Å²	42.9	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	-42.7	176.2	0	0	0	0	0	112.1	F273 V275 I284 V287 T322	A93-F273 PolarHBondContact N-O 3.02Å; A93-V275 HydrophobicContact CB-CG1 3.81Å; A93-V275 HydrophobicContact CB-CG2 4.22Å; A93-I284 HydrophobicContact CB-CG2 4.16Å; A93-V287 HydrophobicContact CB-CG1 4.3Å; A93-T322 VanDerWaalsContact O-CG2 3.27Å; A93-T322 WeakPolarHBondContact O-CG2 3.41Å; A93-T322 PolarHBondContact O-OG1 3.29Å
94	T	96.2	Very high	93.6	Very high	1 Å²	1	46 Å²	46	1%	0.006	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.4	175.2	174.8	-180	0	0	0	0	108.4	V92 F273 R288 L291 G320	V92-T94 WeakPolarHBondContact CG1-O 3.39Å; T94-F273 HydrophobicContact CG2-CB 4.01Å; T94-F273 HydrophobicContact CG2-CD2 3.61Å; T94-F273 HydrophobicContact CG2-CE2 4.48Å; T94-F273 HydrophobicContact CG2-CG 4.09Å; T94-F273 PolarHBondContact O-N 3.48Å; T94-R288 HydrophobicContact CG2-CG 4.34Å; T94-L291 HydrophobicContact CG2-CD1 3.67Å; T94-G320 PolarHBondContact OG1-O 3.14Å
95	Y	96.8	Very high	93.4	Very high	21 Å²	21	48.2 Å²	48.2	8%	0.082	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.3	160.7	-175.3	55.7	-84.9	0	0	0	111.4	V92 K97 N271 L319 G320 E321 T322 F327 Y332	V92-Y95 HydrophobicContact CG1-CD1 4.49Å; Y95-K97 HydrophobicContact CD2-CG 4.47Å; Y95-K97 HydrophobicContact CE2-CG 4.22Å; Y95-N271 WeakPolarHBondContact CA-O 3Å; Y95-L319 CarbonylContact O-C 3.53Å; Y95-L319 WeakPolarHBondContact O-CA 3.14Å; Y95-G320 PolarHBondContact O-N 2.83Å; Y95-E321 WeakPolarHBondContact CE1-O 3.35Å; Y95-E321 PolarHBondContact OH-O 3.32Å; Y95-T322 HydrophobicContact CD1-CG2 4.24Å; Y95-T322 HydrophobicContact CE1-CG2 4.13Å; Y95-F327 HydrophobicContact CE1-CE2 4.38Å; Y95-Y332 WeakPolarHBondContact CB-OH 3.47Å; Y95-Y332 HydrophobicContact CD1-CD2 4.14Å; Y95-Y332 AromaticContact CD1-CE2 3.76Å; Y95-Y332 HydrophobicContact CD1-CE2 3.76Å; Y95-Y332 AromaticContact CD2-CE2 3.78Å; Y95-Y332 HydrophobicContact CD2-CE2 3.78Å; Y95-Y332 HydrophobicContact CE1-CE2 4.44Å; Y95-Y332 HydrophobicContact CE2-CE2 4.42Å; Y95-Y332 HydrophobicContact CG-CD2 4.24Å; Y95-Y332 AromaticContact CG-CE2 3.41Å; Y95-Y332 HydrophobicContact CG-CE2 3.41Å; Y95-Y332 VanDerWaalsContact CG-CE2 3.41Å
96	E	95.9	Very high	93.2	Very high	1 Å²	1	50 Å²	50	1%	0.005	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	142	179.2	-61	-179.4	175.1	0	0	111.3	N75 N271 F273 F311 S312 V316 L319	N75-E96 PolarHBondContact ND2-OE1 3.41Å; E96-N271 HydrophobicContact CG-CB 4.39Å; E96-N271 PolarHBondContact N-O 2.81Å; E96-F273 HydrophobicContact CG-CE2 3.69Å; E96-F273 HydrophobicContact CG-CZ 3.92Å; E96-F311 HydrophobicContact CG-CD1 4.45Å; E96-F311 WeakPolarHBondContact OE1-CA 3.47Å; E96-S312 PolarHBondContact OE1-N 2.99Å; E96-S312 WeakPolarHBondContact OE2-CB 3.5Å; E96-S312 PolarHBondContact OE2-N 3.28Å; E96-S312 PolarHBondContact OE2-OG 3.2Å; E96-V316 HydrophobicContact CB-CG1 4.02Å; E96-V316 HydrophobicContact CB-CG2 4.25Å; E96-V316 HydrophobicContact CG-CG1 4.17Å; E96-V316 HydrophobicContact CG-CG2 4.29Å; E96-V316 WeakPolarHBondContact OE2-CG2 3.48Å; E96-L319 HydrophobicContact CG-CD2 4.22Å
97	K	94.2	Very high	93.2	Very high	46 Å²	46	44 Å²	44	20%	0.2	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	129.9	163.2	-61.5	-168.1	-178.1	-155	0	109.2	Y95 R101 D102 T317 T318	Y95-K97 HydrophobicContact CD2-CG 4.47Å; Y95-K97 HydrophobicContact CE2-CG 4.22Å; K97-R101 WeakPolarHBondContact CB-O 3.38Å; K97-D102 WeakPolarHBondContact CE-OD1 3.17Å; K97-D102 IonicContact NZ-OD1 3.83Å; K97-D102 PolarHBondContact NZ-OD1 2.86Å; K97-T317 PolarHBondContact O-N 2.87Å; K97-T317 PolarHBondContact O-OG1 2.61Å; K97-T318 HydrophobicContact CB-CG2 3.7Å; K97-T318 HydrophobicContact CD-CG2 3.9Å; K97-T318 HydrophobicContact CG-CG2 4.14Å; K97-T318 PolarHBondContact N-O 2.79Å; K97-T318 PolarHBondContact O-N 3.37Å
98	V	89.3	Confident	93.3	Very high	27 Å²	27	40.9 Å²	40.9	16%	0.164	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.5	174.5	177	0	0	0	0	106.8	A100 R101 V104 N315 V316	V98-A100 PolarHBondContact O-N 2.78Å; V98-A100 VanDerWaalsContact O-N 3.12Å; V98-R101 PolarHBondContact O-N 2.91Å; V98-V104 HydrophobicContact CB-CG1 4.08Å; V98-V104 HydrophobicContact CG2-CG1 3.8Å; V98-N315 HydrophobicContact CG1-CB 3.86Å; V98-V316 HydrophobicContact CG2-CG2 4.42Å
99	E	84.4	Confident	93.3	Very high	123 Å²	123	39.8 Å²	39.8	58%	0.575	20%	0.202	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.9	34.6	-177.1	-61.2	176.3	179.6	0	0	113.4	R101 T317	E99-R101 PolarHBondContact O-N 3.47Å; E99-R101 VanDerWaalsContact O-N 3.09Å; E99-T317 PolarHBondContact N-OG1 3.11Å
100	A	80.7	Confident	93.3	Very high	70 Å²	70	36.5 Å²	36.5	58%	0.579	18%	0.18	S	C	*	.	T	Hydrogen-bonded Turn	trans	60.9	11.5	-176.3	0	0	0	0	0	115.1	V98 T317	V98-A100 PolarHBondContact O-N 2.78Å; V98-A100 VanDerWaalsContact O-N 3.12Å; A100-T317 PolarHBondContact N-OG1 3.14Å
101	R	85.9	Confident	93.3	Very high	127 Å²	127	36.3 Å²	36.3	48%	0.479	18%	0.179	S	C	.	.	B	Isolated β-bridge	trans	-91	146.7	175.8	-58.5	-174.5	-173.5	-143.2	1.6	111.5	K97 V98 E99	K97-R101 WeakPolarHBondContact CB-O 3.38Å; V98-R101 PolarHBondContact O-N 2.91Å; E99-R101 PolarHBondContact O-N 3.47Å; E99-R101 VanDerWaalsContact O-N 3.09Å
102	D	85.5	Confident	93.3	Very high	49 Å²	49	34.6 Å²	34.6	26%	0.262	17%	0.172	S	C	.	.	S	Bend	trans	-76	-32.2	174.9	-93.4	20.9	0	0	0	112.5	K97 R269	K97-D102 WeakPolarHBondContact CE-OD1 3.17Å; K97-D102 IonicContact NZ-OD1 3.83Å; K97-D102 PolarHBondContact NZ-OD1 2.86Å; D102-R269 VanDerWaalsContact CG-NH1 3.31Å; D102-R269 WeakPolarHBondContact O-CA 3.35Å; D102-R269 IonicContact OD2-CZ 3.78Å; D102-R269 IonicContact OD2-NH1 3.83Å; D102-R269 PolarHBondContact OD2-NH1 3.39Å; D102-R269 IonicContact OD2-NH2 3.05Å
103	F	91.9	Very high	93.2	Very high	60 Å²	60	36.7 Å²	36.7	26%	0.263	18%	0.182	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.8	178.1	-62	-79.1	0	0	0	109.6	E105 E106 R268 R269	F103-E105 VanDerWaalsContact C-N 3.34Å; F103-E106 HydrophobicContact CB-CG 3.45Å; F103-E106 VanDerWaalsContact CB-CG 3.45Å; F103-E106 HydrophobicContact CD2-CG 4.39Å; F103-E106 HydrophobicContact CG-CG 4.03Å; F103-R268 CarbonylContact C-O 3.57Å; F103-R268 WeakPolarHBondContact CA-O 3.31Å; F103-R269 HydrophobicContact CD1-CG 3.77Å; F103-R269 HydrophobicContact CE1-CG 3.7Å
104	V	91.7	Very high	93.1	Very high	66 Å²	66	41.5 Å²	41.5	40%	0.4	22%	0.221	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-20.2	174.2	-65.9	0	0	0	0	111.7	V98 R268	V98-V104 HydrophobicContact CB-CG1 4.08Å; V98-V104 HydrophobicContact CG2-CG1 3.8Å; V104-R268 HydrophobicContact CG2-CG 4.46Å; V104-R268 WeakPolarHBondContact CG2-O 3.46Å; V104-R268 PolarHBondContact N-O 3.29Å
105	E	92.6	Very high	93.1	Very high	45 Å²	45	42.8 Å²	42.8	21%	0.21	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	129.4	175.3	-173.3	171.6	-173.5	0	0	109.5	F103 M139 Q140 G267 R268	F103-E105 VanDerWaalsContact C-N 3.34Å; E105-M139 VanDerWaalsContact CD-CG 3.44Å; E105-M139 HydrophobicContact CG-CB 4.15Å; E105-M139 HydrophobicContact CG-CG 4.06Å; E105-M139 VanDerWaalsContact OE2-CG 3.22Å; E105-M139 WeakPolarHBondContact OE2-CG 3.33Å; E105-Q140 PolarHBondContact OE1-NE2 3.26Å; E105-G267 CarbonylContact O-C 3.55Å; E105-G267 WeakPolarHBondContact O-CA 2.95Å; E105-R268 PolarHBondContact N-O 3.18Å; E105-R268 PolarHBondContact O-N 3.22Å; E105-R268 IonicContact OE2-CZ 3.8Å; E105-R268 IonicContact OE2-NE 2.72Å; E105-R268 IonicContact OE2-NH2 2.81Å; E105-R268 PolarHBondContact OE2-NH2 3.29Å
106	E	94.6	Very high	93	Very high	42 Å²	42	42.2 Å²	42.2	20%	0.196	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	134.1	177.3	-65.3	-179	86.6	0	0	108.6	F103 S228 A229 S264 F266	F103-E106 HydrophobicContact CB-CG 3.45Å; F103-E106 VanDerWaalsContact CB-CG 3.45Å; F103-E106 HydrophobicContact CD2-CG 4.39Å; F103-E106 HydrophobicContact CG-CG 4.03Å; E106-S228 CarbonylContact O-C 3.5Å; E106-S228 WeakPolarHBondContact O-CA 3.26Å; E106-A229 HydrophobicContact CB-CB 4.06Å; E106-A229 PolarHBondContact O-N 3.39Å; E106-S264 WeakPolarHBondContact CB-OG 3.31Å; E106-S264 WeakPolarHBondContact OE1-CB 3.38Å; E106-S264 PolarHBondContact OE1-OG 2.97Å; E106-F266 CarbonylContact C-O 3.57Å; E106-F266 WeakPolarHBondContact CA-O 2.97Å
107	S	96.5	Very high	92.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	131.7	179.4	-60.2	0	0	0	0	110.7	M139 Q140 T227 W265 F266	S107-M139 PolarHBondContact OG-O 3.19Å; S107-Q140 PolarHBondContact OG-N 3.33Å; S107-Q140 PolarHBondContact OG-NE2 2.86Å; S107-T227 CarbonylContact C-O 3.58Å; S107-T227 VanDerWaalsContact CA-O 3.29Å; S107-T227 WeakPolarHBondContact CA-O 3.02Å; S107-W265 PolarHBondContact O-N 3.11Å; S107-F266 PolarHBondContact N-O 3.43Å
108	L	97	Very high	92.5	Very high	6 Å²	6	56.1 Å²	56.1	3%	0.031	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	150.7	-175.7	-64	167.3	0	0	0	109.6	V226 T227 A229 L232 L249 C263	L108-V226 WeakPolarHBondContact O-CA 3.14Å; L108-V226 WeakPolarHBondContact O-CG1 3.38Å; L108-T227 HydrophobicContact CB-CG2 4.23Å; L108-T227 PolarHBondContact N-O 3.28Å; L108-T227 PolarHBondContact O-N 3.48Å; L108-A229 HydrophobicContact CD1-CB 3.95Å; L108-L232 HydrophobicContact CD1-CB 4.36Å; L108-L232 HydrophobicContact CD1-CD2 3.58Å; L108-L249 HydrophobicContact CB-CD2 4.19Å; L108-L249 HydrophobicContact CD2-CD1 4.35Å; L108-C263 VanDerWaalsContact CD2-C 3.41Å; L108-C263 WeakPolarHBondContact CD2-O 3.23Å
109	V	97.8	Very high	92.7	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	110.2	175.7	-178.5	0	0	0	0	108.7	I111 V224 A225 V226 L249 L250 W265	V109-I111 HydrophobicContact CG1-CG2 4.21Å; V109-V224 HydrophobicContact CG1-CG1 3.53Å; V109-A225 CarbonylContact C-O 3.6Å; V109-A225 WeakPolarHBondContact CA-O 3.36Å; V109-V226 HydrophobicContact CG2-CG1 4.35Å; V109-V226 HydrophobicContact CG2-CG2 4.33Å; V109-L249 WeakPolarHBondContact O-CA 3.44Å; V109-L250 HydrophobicContact CB-CB 4.32Å; V109-L250 HydrophobicContact CG1-CB 4.11Å; V109-L250 HydrophobicContact CG1-CD2 4.23Å; V109-L250 PolarHBondContact O-N 3.05Å; V109-W265 HydrophobicContact CB-CD2 4.38Å; V109-W265 HydrophobicContact CB-CZ2 4.21Å; V109-W265 HydrophobicContact CG1-CZ2 4.46Å; V109-W265 HydrophobicContact CG2-CD2 3.41Å; V109-W265 VanDerWaalsContact CG2-CD2 3.41Å; V109-W265 VanDerWaalsContact CG2-CE2 3.44Å; V109-W265 HydrophobicContact CG2-CE3 3.8Å; V109-W265 HydrophobicContact CG2-CG 3.79Å; V109-W265 HydrophobicContact CG2-CH2 4.21Å; V109-W265 HydrophobicContact CG2-CZ2 3.86Å; V109-W265 HydrophobicContact CG2-CZ3 4.18Å
110	V	97.9	Very high	93.2	Very high	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	130.3	175.4	-174.1	0	0	0	0	108.4	L214 L217 V224 A225 T227 L232 L242 K248 L249 L259	V110-L214 HydrophobicContact CB-CD2 4.22Å; V110-L214 HydrophobicContact CG2-CD2 3.81Å; V110-L217 HydrophobicContact CB-CD2 4.13Å; V110-L217 HydrophobicContact CG1-CD2 3.72Å; V110-V224 CarbonylContact O-C 3.58Å; V110-V224 WeakPolarHBondContact O-CA 3.42Å; V110-A225 PolarHBondContact N-O 3.23Å; V110-A225 PolarHBondContact O-N 3.33Å; V110-T227 HydrophobicContact CG2-CG2 3.95Å; V110-L232 HydrophobicContact CG2-CD1 4.09Å; V110-L242 HydrophobicContact CG1-CD2 4.42Å; V110-K248 WeakPolarHBondContact CA-O 3.37Å; V110-L249 HydrophobicContact CG2-CD2 3.96Å; V110-L259 HydrophobicContact CG1-CD2 4.16Å
111	I	98	Very high	93.7	Very high	0 Å²	0	54 Å²	54	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	150.2	-179.7	57	163.3	0	0	0	110.9	V109 E113 F116 Y119 D223 V224 Y247 K248 L250	V109-I111 HydrophobicContact CG1-CG2 4.21Å; I111-E113 PolarHBondContact O-N 3.47Å; I111-F116 HydrophobicContact CB-CD2 3.77Å; I111-F116 HydrophobicContact CB-CE2 3.61Å; I111-F116 HydrophobicContact CB-CZ 4.28Å; I111-F116 HydrophobicContact CD1-CB 4.05Å; I111-F116 HydrophobicContact CD1-CD1 4.36Å; I111-F116 HydrophobicContact CD1-CD2 3.74Å; I111-F116 HydrophobicContact CD1-CE2 4.33Å; I111-F116 HydrophobicContact CD1-CG 3.78Å; I111-F116 HydrophobicContact CG1-CD2 4.32Å; I111-F116 HydrophobicContact CG2-CD2 4.1Å; I111-F116 HydrophobicContact CG2-CE1 4.36Å; I111-F116 HydrophobicContact CG2-CE2 3.56Å; I111-F116 HydrophobicContact CG2-CZ 3.71Å; I111-Y119 HydrophobicContact CD1-CD1 3.57Å; I111-Y119 HydrophobicContact CD1-CE1 3.87Å; I111-D223 WeakPolarHBondContact CA-O 3.42Å; I111-V224 HydrophobicContact CG2-CG1 4.3Å; I111-V224 HydrophobicContact CG2-CG2 4.22Å; I111-Y247 VanDerWaalsContact O-CA 3.22Å; I111-Y247 WeakPolarHBondContact O-CA 3.48Å; I111-K248 HydrophobicContact CG1-CB 4.39Å; I111-K248 VanDerWaalsContact CG1-O 3.28Å; I111-K248 WeakPolarHBondContact CG1-O 3.34Å; I111-K248 PolarHBondContact N-O 3.02Å; I111-K248 PolarHBondContact O-N 3.42Å; I111-K248 VanDerWaalsContact O-N 3.07Å; I111-L250 HydrophobicContact CD1-CB 4.19Å; I111-L250 HydrophobicContact CD1-CD1 4.42Å; I111-L250 HydrophobicContact CG1-CB 4.27Å; I111-L250 HydrophobicContact CG2-CB 3.69Å; I111-L250 HydrophobicContact CG2-CD2 4.14Å; I111-L250 HydrophobicContact CG2-CG 4.47Å
112	R	97.4	Very high	93.9	Very high	41 Å²	41	50.5 Å²	50.5	16%	0.155	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	116.3	161.3	-177.6	178.3	-55	-66.9	-9.3	108.2	A114 S115 L217 A222 D223 K246 Y247	R112-A114 VanDerWaalsContact C-N 3.32Å; R112-A114 PolarHBondContact O-N 3.35Å; R112-S115 WeakPolarHBondContact O-CB 3.36Å; R112-S115 PolarHBondContact O-N 3.38Å; R112-L217 PolarHBondContact NH2-O 2.82Å; R112-A222 PolarHBondContact NE-O 2.8Å; R112-A222 PolarHBondContact NH2-O 2.73Å; R112-D223 PolarHBondContact N-O 3.14Å; R112-K246 WeakPolarHBondContact CA-O 3.19Å; R112-Y247 HydrophobicContact CB-CD1 4.34Å; R112-Y247 HydrophobicContact CB-CE1 4.23Å; R112-Y247 PolarHBondContact NH1-OH 3.34Å; R112-Y247 PolarHBondContact NH2-OH 3.05Å
113	E	95.6	Very high	94.3	Very high	46 Å²	46	49.6 Å²	49.6	22%	0.215	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-56.2	-46.2	-171.9	-171.8	172.3	-166.1	0	0	112	I111 S115 F116 Y119 K246 K248	I111-E113 PolarHBondContact O-N 3.47Å; E113-S115 PolarHBondContact O-N 3.39Å; E113-F116 PolarHBondContact O-N 2.89Å; E113-Y119 HydrophobicContact CG-CE1 4.25Å; E113-Y119 VanDerWaalsContact CG-OH 3.25Å; E113-Y119 WeakPolarHBondContact CG-OH 3.27Å; E113-Y119 PolarHBondContact OE1-OH 3.19Å; E113-Y119 VanDerWaalsContact OE1-OH 3.12Å; E113-K246 PolarHBondContact N-O 2.89Å; E113-K248 VanDerWaalsContact CD-CE 3.41Å; E113-K248 HydrophobicContact CG-CD 4.21Å; E113-K248 WeakPolarHBondContact OE1-CD 3.44Å; E113-K248 WeakPolarHBondContact OE1-CE 3.33Å; E113-K248 IonicContact OE1-NZ 3.76Å; E113-K248 PolarHBondContact OE1-NZ 3.32Å; E113-K248 VanDerWaalsContact OE2-CE 3.31Å; E113-K248 WeakPolarHBondContact OE2-CE 3.46Å; E113-K248 IonicContact OE2-NZ 2.71Å
114	A	95.6	Very high	94.5	Very high	100 Å²	100	46.8 Å²	46.8	83%	0.826	24%	0.237	S	C	*	.	G	3₁₀ helix	trans	-57.8	-18.6	178.3	0	0	0	0	0	114.7	R112	R112-A114 VanDerWaalsContact C-N 3.32Å; R112-A114 PolarHBondContact O-N 3.35Å
115	S	96	Very high	94.6	Very high	28 Å²	28	45.5 Å²	45.5	20%	0.196	23%	0.234	C	C	.	.	G	3₁₀ helix	trans	-85	-7.3	177.8	-62.2	0	0	0	0	113.1	R112 E113 K127 D223	R112-S115 WeakPolarHBondContact O-CB 3.36Å; R112-S115 PolarHBondContact O-N 3.38Å; E113-S115 PolarHBondContact O-N 3.39Å; S115-K127 VanDerWaalsContact O-CE 3.31Å; S115-K127 WeakPolarHBondContact O-CE 3.47Å; S115-K127 PolarHBondContact O-NZ 3.39Å; S115-D223 PolarHBondContact OG-OD1 2.74Å
116	F	94.6	Very high	94.8	Very high	10 Å²	10	48.9 Å²	48.9	4%	0.044	25%	0.253	C	S	.	.			trans	-126.3	129.1	-174.6	-72	-98.8	0	0	0	112.1	I111 E113 Y119 D123 L124 K127 V224 L250	I111-F116 HydrophobicContact CB-CD2 3.77Å; I111-F116 HydrophobicContact CB-CE2 3.61Å; I111-F116 HydrophobicContact CB-CZ 4.28Å; I111-F116 HydrophobicContact CD1-CB 4.05Å; I111-F116 HydrophobicContact CD1-CD1 4.36Å; I111-F116 HydrophobicContact CD1-CD2 3.74Å; I111-F116 HydrophobicContact CD1-CE2 4.33Å; I111-F116 HydrophobicContact CD1-CG 3.78Å; I111-F116 HydrophobicContact CG1-CD2 4.32Å; I111-F116 HydrophobicContact CG2-CD2 4.1Å; I111-F116 HydrophobicContact CG2-CE1 4.36Å; I111-F116 HydrophobicContact CG2-CE2 3.56Å; I111-F116 HydrophobicContact CG2-CZ 3.71Å; E113-F116 PolarHBondContact O-N 2.89Å; F116-Y119 HydrophobicContact CB-CD1 3.79Å; F116-Y119 HydrophobicContact CB-CE1 3.9Å; F116-D123 HydrophobicContact CD1-CB 3.93Å; F116-D123 HydrophobicContact CE1-CB 4.05Å; F116-L124 HydrophobicContact CE1-CD2 4.09Å; F116-L124 HydrophobicContact CZ-CD2 3.87Å; F116-K127 HydrophobicContact CZ-CG 4.15Å; F116-V224 HydrophobicContact CE2-CG2 3.89Å; F116-V224 HydrophobicContact CZ-CG2 3.61Å; F116-L250 HydrophobicContact CE1-CD2 4.3Å
117	K	88.8	Confident	94.9	Very high	203 Å²	203	49.2 Å²	49.2	88%	0.883	25%	0.254	S	S	*	.	S	Bend	trans	-94.8	-39.5	177.8	-66.1	-174.4	178.9	-176	0	113.4
118	K	91.4	Very high	95	Very high	135 Å²	135	52.7 Å²	52.7	59%	0.587	27%	0.267	S	S	*	.	S	Bend	trans	-121.8	1.2	-172.1	-64.3	-173.9	176.5	-174.3	0	113.6	R120	K118-R120 HydrophobicContact CB-CG 4.01Å; K118-R120 PolarHBondContact O-N 2.92Å
119	Y	93.9	Very high	95.1	Very high	48 Å²	48	52.4 Å²	52.4	19%	0.188	27%	0.266	C	S	.	.			trans	51	32.1	-178.7	-49.9	-68.7	0	0	0	114	I111 E113 F116 L250 G254	I111-Y119 HydrophobicContact CD1-CD1 3.57Å; I111-Y119 HydrophobicContact CD1-CE1 3.87Å; E113-Y119 HydrophobicContact CG-CE1 4.25Å; E113-Y119 VanDerWaalsContact CG-OH 3.25Å; E113-Y119 WeakPolarHBondContact CG-OH 3.27Å; E113-Y119 PolarHBondContact OE1-OH 3.19Å; E113-Y119 VanDerWaalsContact OE1-OH 3.12Å; F116-Y119 HydrophobicContact CB-CD1 3.79Å; F116-Y119 HydrophobicContact CB-CE1 3.9Å; Y119-L250 WeakPolarHBondContact O-CD1 3.3Å; Y119-G254 CarbonylContact O-C 3.52Å; Y119-G254 VanDerWaalsContact O-CA 3.22Å; Y119-G254 WeakPolarHBondContact O-CA 3.32Å
120	R	92.9	Very high	95.1	Very high	115 Å²	115	52.4 Å²	52.4	43%	0.434	27%	0.266	S	S	.	.			trans	-85.4	145.1	177	-62	176.5	-61	168.3	8.7	109.5	K118 S122 D123	K118-R120 HydrophobicContact CB-CG 4.01Å; K118-R120 PolarHBondContact O-N 2.92Å; R120-S122 PolarHBondContact O-N 2.97Å; R120-D123 IonicContact CZ-OD1 3.59Å; R120-D123 PolarHBondContact N-OD2 2.91Å; R120-D123 IonicContact NE-OD1 3.83Å; R120-D123 PolarHBondContact NE-OD1 3.35Å; R120-D123 IonicContact NE-OD2 3.54Å; R120-D123 IonicContact NH2-OD1 2.8Å; R120-D123 PolarHBondContact NH2-OD1 3.37Å; R120-D123 VanDerWaalsContact O-CB 3.29Å; R120-D123 WeakPolarHBondContact O-CB 3.25Å; R120-D123 PolarHBondContact O-N 2.94Å
121	V	92.5	Very high	95.1	Very high	12 Å²	12	52.5 Å²	52.5	7%	0.073	27%	0.266	C	S	.	.	G	3₁₀ helix	trans	-56.8	-33.6	173.6	174.7	0	0	0	0	111.8	D123 L124 L148 I153 W265	V121-D123 PolarHBondContact O-N 3.2Å; V121-L124 HydrophobicContact CG1-CD1 4.38Å; V121-L124 VanDerWaalsContact O-CB 3.32Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 WeakPolarHBondContact O-CD1 3.24Å; V121-L124 VanDerWaalsContact O-CG 3.24Å; V121-L124 WeakPolarHBondContact O-CG 3.32Å; V121-L124 PolarHBondContact O-N 3.32Å; V121-L148 HydrophobicContact CG1-CD2 3.57Å; V121-I153 HydrophobicContact CG1-CD1 4.17Å; V121-I153 HydrophobicContact CG1-CG1 3.92Å; V121-I153 HydrophobicContact CG1-CG2 4.18Å; V121-W265 HydrophobicContact CB-CH2 4.44Å; V121-W265 HydrophobicContact CG1-CH2 3.77Å; V121-W265 HydrophobicContact CG1-CZ2 4.46Å; V121-W265 HydrophobicContact CG1-CZ3 4.44Å; V121-W265 HydrophobicContact CG2-CH2 4.06Å; V121-W265 HydrophobicContact CG2-CZ2 3.92Å
122	S	90.6	Very high	95	Very high	54 Å²	54	52.5 Å²	52.5	38%	0.378	27%	0.266	S	S	.	.	G	3₁₀ helix	trans	-65.1	-21.8	174.7	60	0	0	0	0	114.1	R120 L124 A125	R120-S122 PolarHBondContact O-N 2.97Å; S122-L124 PolarHBondContact O-N 3.41Å; S122-L124 VanDerWaalsContact O-N 3.16Å; S122-A125 PolarHBondContact O-N 2.91Å
123	D	93.3	Very high	94.9	Very high	31 Å²	31	53.9 Å²	53.9	17%	0.166	27%	0.273	C	S	.	.	G	3₁₀ helix	trans	-74.1	-1.2	-179.9	-58.1	-21.2	0	0	0	111.9	F116 R120 V121 A125 K127	F116-D123 HydrophobicContact CD1-CB 3.93Å; F116-D123 HydrophobicContact CE1-CB 4.05Å; R120-D123 IonicContact CZ-OD1 3.59Å; R120-D123 PolarHBondContact N-OD2 2.91Å; R120-D123 IonicContact NE-OD1 3.83Å; R120-D123 PolarHBondContact NE-OD1 3.35Å; R120-D123 IonicContact NE-OD2 3.54Å; R120-D123 IonicContact NH2-OD1 2.8Å; R120-D123 PolarHBondContact NH2-OD1 3.37Å; R120-D123 VanDerWaalsContact O-CB 3.29Å; R120-D123 WeakPolarHBondContact O-CB 3.25Å; R120-D123 PolarHBondContact O-N 2.94Å; V121-D123 PolarHBondContact O-N 3.2Å; D123-A125 VanDerWaalsContact C-N 3.32Å; D123-K127 WeakPolarHBondContact O-CE 3.44Å; D123-K127 VanDerWaalsContact O-CG 3.3Å; D123-K127 WeakPolarHBondContact O-CG 3.5Å
124	L	95.3	Very high	94.7	Very high	0 Å²	0	52 Å²	52	0%	0	27%	0.265	C	S	.	.	G	3₁₀ helix	trans	-72	-20.1	174	-70.5	177	0	0	0	114.1	F116 V121 S122 N126 K127 L148 Y171 F172 V224 L250 W265	F116-L124 HydrophobicContact CE1-CD2 4.09Å; F116-L124 HydrophobicContact CZ-CD2 3.87Å; V121-L124 HydrophobicContact CG1-CD1 4.38Å; V121-L124 VanDerWaalsContact O-CB 3.32Å; V121-L124 WeakPolarHBondContact O-CB 3.44Å; V121-L124 WeakPolarHBondContact O-CD1 3.24Å; V121-L124 VanDerWaalsContact O-CG 3.24Å; V121-L124 WeakPolarHBondContact O-CG 3.32Å; V121-L124 PolarHBondContact O-N 3.32Å; S122-L124 PolarHBondContact O-N 3.41Å; S122-L124 VanDerWaalsContact O-N 3.16Å; L124-N126 PolarHBondContact O-N 3.03Å; L124-K127 VanDerWaalsContact O-CB 3.28Å; L124-K127 WeakPolarHBondContact O-CB 3.35Å; L124-K127 WeakPolarHBondContact O-CG 3.47Å; L124-K127 PolarHBondContact O-N 2.7Å; L124-K127 VanDerWaalsContact O-N 3.11Å; L124-L148 HydrophobicContact CD1-CD2 4.13Å; L124-Y171 HydrophobicContact CB-CE1 3.9Å; L124-F172 HydrophobicContact CB-CE1 3.86Å; L124-F172 HydrophobicContact CB-CZ 4.16Å; L124-F172 HydrophobicContact CD1-CZ 4.31Å; L124-F172 HydrophobicContact CD2-CE1 4.23Å; L124-F172 HydrophobicContact CG-CE1 4.47Å; L124-F172 WeakPolarHBondContact O-CD1 3.49Å; L124-V224 HydrophobicContact CD2-CB 4.41Å; L124-V224 HydrophobicContact CD2-CG1 3.95Å; L124-V224 HydrophobicContact CD2-CG2 3.64Å; L124-L250 HydrophobicContact CD1-CD2 4.31Å; L124-L250 HydrophobicContact CD2-CD2 3.91Å; L124-L250 HydrophobicContact CG-CD2 4.12Å; L124-W265 HydrophobicContact CD1-CH2 3.57Å; L124-W265 HydrophobicContact CD1-CZ2 4.43Å; L124-W265 HydrophobicContact CD1-CZ3 4.31Å
125	A	94.6	Very high	94.3	Very high	40 Å²	40	51.3 Å²	51.3	33%	0.331	25%	0.245	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	135.8	179.6	0	0	0	0	0	111	S122 D123 K127 Y171	S122-A125 PolarHBondContact O-N 2.91Å; D123-A125 VanDerWaalsContact C-N 3.32Å; A125-K127 PolarHBondContact O-N 2.71Å; A125-Y171 HydrophobicContact CB-CD2 4.33Å; A125-Y171 HydrophobicContact CB-CE2 3.66Å; A125-Y171 PolarHBondContact N-OH 3.46Å
126	N	95.7	Very high	93.7	Very high	116 Å²	116	52.1 Å²	52.1	62%	0.62	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.2	8.3	-177.4	-62.8	-58.5	0	0	0	116.1	L124 Y171	L124-N126 PolarHBondContact O-N 3.03Å; N126-Y171 PolarHBondContact N-O 3.44Å
127	K	97.8	Very high	93.1	Very high	48 Å²	48	53.6 Å²	53.6	21%	0.209	26%	0.264	C	S	.	.			trans	-74.2	152.9	175	-64.4	-55.5	-170.5	-173.2	0	111.8	S115 F116 D123 L124 A125 L129 F172 G173 D223 V224	S115-K127 VanDerWaalsContact O-CE 3.31Å; S115-K127 WeakPolarHBondContact O-CE 3.47Å; S115-K127 PolarHBondContact O-NZ 3.39Å; F116-K127 HydrophobicContact CZ-CG 4.15Å; D123-K127 WeakPolarHBondContact O-CE 3.44Å; D123-K127 VanDerWaalsContact O-CG 3.3Å; D123-K127 WeakPolarHBondContact O-CG 3.5Å; L124-K127 VanDerWaalsContact O-CB 3.28Å; L124-K127 WeakPolarHBondContact O-CB 3.35Å; L124-K127 WeakPolarHBondContact O-CG 3.47Å; L124-K127 PolarHBondContact O-N 2.7Å; L124-K127 VanDerWaalsContact O-N 3.11Å; A125-K127 PolarHBondContact O-N 2.71Å; K127-L129 PolarHBondContact O-N 3.22Å; K127-F172 HydrophobicContact CB-CD1 4.47Å; K127-G173 PolarHBondContact O-N 2.82Å; K127-D223 HydrophobicContact CB-CB 4.03Å; K127-D223 HydrophobicContact CD-CB 4.11Å; K127-D223 HydrophobicContact CG-CB 4.46Å; K127-V224 HydrophobicContact CB-CG2 3.95Å; K127-V224 HydrophobicContact CG-CG2 4.4Å
128	R	98.4	Very high	93.2	Very high	74 Å²	74	44.8 Å²	44.8	28%	0.279	23%	0.226	S	C	.	.			trans	-80.2	108.9	175.2	-65.3	179.2	-66	148.1	5	110.1	Q174 L196 R220 R221 A222 D223 V224	R128-Q174 WeakPolarHBondContact CA-O 3.13Å; R128-Q174 WeakPolarHBondContact CB-O 3.14Å; R128-Q174 HydrophobicContact CG-CB 4.42Å; R128-Q174 VanDerWaalsContact CG-O 3.23Å; R128-Q174 WeakPolarHBondContact CG-O 3.29Å; R128-L196 HydrophobicContact CB-CD1 4.05Å; R128-R220 PolarHBondContact NH1-O 3.03Å; R128-R221 PolarHBondContact NH1-O 3.33Å; R128-R221 PolarHBondContact NH2-O 3.32Å; R128-A222 HydrophobicContact CB-CB 4.15Å; R128-D223 HydrophobicContact CB-CB 4.46Å; R128-D223 VanDerWaalsContact CB-OD2 3.26Å; R128-D223 WeakPolarHBondContact CB-OD2 3.31Å; R128-D223 WeakPolarHBondContact CG-OD2 3.41Å; R128-D223 IonicContact CZ-OD1 2.96Å; R128-D223 IonicContact CZ-OD2 3.72Å; R128-D223 PolarHBondContact N-OD2 2.99Å; R128-D223 IonicContact NE-OD1 3.88Å; R128-D223 IonicContact NE-OD2 3.65Å; R128-D223 PolarHBondContact NE-OD2 2.84Å; R128-D223 VanDerWaalsContact NE-OD2 3.12Å; R128-D223 IonicContact NH2-OD1 3.8Å; R128-D223 PolarHBondContact NH2-OD1 2.89Å; R128-D223 IonicContact NH2-OD2 3.12Å; R128-D223 PolarHBondContact O-N 2.99Å; R128-V224 PolarHBondContact O-N 3.38Å; R128-V224 VanDerWaalsContact O-N 3.09Å
129	L	98.4	Very high	93.3	Very high	0 Å²	0	38.4 Å²	38.4	0%	0	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.3	-174.3	174	68	0	0	0	111.5	K127 L131 L144 F172 S175 C176 M177 V224 V226	K127-L129 PolarHBondContact O-N 3.22Å; L129-L131 HydrophobicContact CD2-CB 4.13Å; L129-L131 HydrophobicContact CG-CB 4.19Å; L129-L144 HydrophobicContact CD1-CD1 4.28Å; L129-L144 HydrophobicContact CD2-CD1 3.75Å; L129-F172 HydrophobicContact CB-CB 4.22Å; L129-F172 HydrophobicContact CB-CD1 3.72Å; L129-F172 HydrophobicContact CB-CE1 4.17Å; L129-F172 HydrophobicContact CB-CG 3.92Å; L129-F172 HydrophobicContact CD1-CE1 4.33Å; L129-F172 HydrophobicContact CD1-CZ 4.45Å; L129-F172 HydrophobicContact CD2-CD1 4.22Å; L129-F172 HydrophobicContact CD2-CD2 3.67Å; L129-F172 HydrophobicContact CD2-CE1 4.3Å; L129-F172 HydrophobicContact CD2-CE2 3.78Å; L129-F172 HydrophobicContact CD2-CG 3.9Å; L129-F172 HydrophobicContact CD2-CZ 4.09Å; L129-F172 HydrophobicContact CG-CD1 4.43Å; L129-F172 HydrophobicContact CG-CG 4.5Å; L129-S175 WeakPolarHBondContact CB-OG 3.48Å; L129-S175 PolarHBondContact N-OG 2.77Å; L129-S175 VanDerWaalsContact N-OG 3.12Å; L129-S175 CarbonylContact O-C 3.54Å; L129-S175 WeakPolarHBondContact O-CA 3.4Å; L129-S175 WeakPolarHBondContact O-CB 3.49Å; L129-C176 PolarHBondContact O-N 2.86Å; L129-M177 HydrophobicContact CD2-CG 4.3Å; L129-M177 HydrophobicContact CD2-SD 4.27Å; L129-V224 CarbonylContact C-O 3.6Å; L129-V224 HydrophobicContact CD1-CB 4.29Å; L129-V224 HydrophobicContact CD1-CG1 4.11Å; L129-V226 HydrophobicContact CD1-CG2 4.04Å
130	C	98.5	Very high	93.4	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	106.7	162.9	-67.8	0	0	0	0	108.6	A213 C216 L217 A222 V224 A225 V226	C130-A213 HydrophobicContact CB-CB 4.48Å; C130-A213 WeakPolarHBondContact CB-O 3.28Å; C130-C216 HydrophobicContact CB-CB 3.56Å; C130-C216 WeakPolarHBondContact CB-SG 3.19Å; C130-C216 WeakPolarHBondContact SG-CB 3.39Å; C130-C216 CovalentContact SG-SG 2.04Å; C130-C216 PolarHBondContact SG-SG 2.99Å; C130-L217 PolarHBondContact SG-N 2.66Å; C130-A222 WeakPolarHBondContact SG-CB 3.32Å; C130-V224 PolarHBondContact N-O 2.69Å; C130-A225 HydrophobicContact CB-CB 3.99Å; C130-A225 VanDerWaalsContact O-CA 3.24Å; C130-A225 WeakPolarHBondContact O-CA 3.37Å; C130-V226 PolarHBondContact O-N 3.01Å; C130-V226 VanDerWaalsContact O-N 3.14Å
131	L	97.8	Very high	93.4	Very high	1 Å²	1	31 Å²	31	1%	0.005	17%	0.17	C	C	.	.			trans	-110.2	143	177.7	-169.3	67.8	0	0	0	108.8	L129 V134 Q140 Y141 L144 C176 M177 P178 V226	L129-L131 HydrophobicContact CD2-CB 4.13Å; L129-L131 HydrophobicContact CG-CB 4.19Å; L131-V134 HydrophobicContact CD2-CG2 4.06Å; L131-Q140 HydrophobicContact CD1-CB 4.45Å; L131-Y141 HydrophobicContact CD2-CD2 4.06Å; L131-L144 HydrophobicContact CD1-CD1 3.81Å; L131-L144 HydrophobicContact CD1-CG 4.49Å; L131-L144 HydrophobicContact CD2-CD1 4.48Å; L131-C176 PolarHBondContact N-O 2.81Å; L131-M177 HydrophobicContact CB-CG 4.01Å; L131-M177 HydrophobicContact CD2-CE 3.84Å; L131-M177 HydrophobicContact CD2-CG 4.25Å; L131-P178 WeakPolarHBondContact O-CD 3.28Å; L131-V226 HydrophobicContact CD1-CB 3.88Å; L131-V226 HydrophobicContact CD1-CG2 3.85Å
132	P	96.7	Very high	93.4	Very high	0 Å²	0	30.5 Å²	30.5	0%	0	17%	0.167	C	C	.	.			trans	-59.5	-176.8	163.9	-22.7	36.4	0	0	0	111	V134 Q140 A213 V226	P132-V134 PolarHBondContact O-N 3.23Å; P132-Q140 HydrophobicContact CG-CB 3.93Å; P132-Q140 HydrophobicContact CG-CG 4.07Å; P132-A213 HydrophobicContact CG-CB 3.94Å; P132-V226 VanDerWaalsContact CD-O 3.24Å; P132-V226 WeakPolarHBondContact CD-O 3.41Å; P132-V226 WeakPolarHBondContact CG-O 2.99Å
133	K	94.2	Very high	93.4	Very high	70 Å²	70	27.9 Å²	27.9	30%	0.304	15%	0.149	S	C	.	.			trans	-53.1	131.1	-178.6	63.1	180	172.7	150.9	0	112.9	E135 N138 P178 A208	K133-E135 VanDerWaalsContact CE-OE2 3.29Å; K133-E135 WeakPolarHBondContact CE-OE2 3.23Å; K133-E135 IonicContact NZ-OE2 2.77Å; K133-E135 PolarHBondContact NZ-OE2 2.87Å; K133-E135 PolarHBondContact O-N 2.77Å; K133-E135 VanDerWaalsContact O-N 3.12Å; K133-N138 WeakPolarHBondContact O-CB 3.3Å; K133-P178 CarbonylContact C-O 3.53Å; K133-P178 WeakPolarHBondContact CA-O 3.35Å; K133-A208 HydrophobicContact CB-CB 4.29Å; K133-A208 PolarHBondContact N-O 3.31Å
134	V	91.5	Very high	93.5	Very high	8 Å²	8	26.5 Å²	26.5	5%	0.048	14%	0.141	C	C	.	.	B	Isolated β-bridge	trans	-71.9	102.2	172.5	178	0	0	0	0	108.3	L131 P132 Y141 A165 M177 P178 R180 H203	L131-V134 HydrophobicContact CD2-CG2 4.06Å; P132-V134 PolarHBondContact O-N 3.23Å; V134-Y141 HydrophobicContact CG1-CD2 4.26Å; V134-Y141 HydrophobicContact CG1-CE2 4.02Å; V134-A165 HydrophobicContact CG1-CB 3.6Å; V134-M177 HydrophobicContact CG2-CB 3.82Å; V134-M177 HydrophobicContact CG2-CE 3.99Å; V134-P178 PolarHBondContact N-O 3.08Å; V134-R180 WeakPolarHBondContact CG1-O 3.29Å; V134-H203 PolarHBondContact O-CE1 2.88Å; V134-H203 VanDerWaalsContact O-CE1 3.25Å
135	E	87.4	Confident	93.2	Very high	84 Å²	84	26.6 Å²	26.6	39%	0.393	14%	0.142	S	C	.	.			trans	-151.4	141.2	179.2	179.3	173.4	-131.4	0	0	108.5	K133 G137 N138 Y141	K133-E135 VanDerWaalsContact CE-OE2 3.29Å; K133-E135 WeakPolarHBondContact CE-OE2 3.23Å; K133-E135 IonicContact NZ-OE2 2.77Å; K133-E135 PolarHBondContact NZ-OE2 2.87Å; K133-E135 PolarHBondContact O-N 2.77Å; K133-E135 VanDerWaalsContact O-N 3.12Å; E135-G137 PolarHBondContact O-N 3.06Å; E135-G137 VanDerWaalsContact O-N 3.1Å; E135-N138 HydrophobicContact CB-CB 4.33Å; E135-N138 WeakPolarHBondContact O-CB 3.33Å; E135-N138 PolarHBondContact O-N 3.02Å; E135-Y141 WeakPolarHBondContact O-CD1 3.34Å
136	E	82.4	Confident	92.7	Very high	46 Å²	46	24.7 Å²	24.7	22%	0.215	13%	0.126	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-28.8	-176.1	-63.7	-64.4	174.8	0	0	113.2	Q142	E136-Q142 WeakPolarHBondContact O-CG 3.45Å; E136-Q142 PolarHBondContact O-NE2 3.22Å; E136-Q142 PolarHBondContact OE2-NE2 3.17Å
137	G	83.5	Confident	92.2	Very high	41 Å²	41	19.2 Å²	19.2	42%	0.423	10%	0.097	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.5	-7.4	175.6	0	0	0	0	0	115.1	E135 M139	E135-G137 PolarHBondContact O-N 3.06Å; E135-G137 VanDerWaalsContact O-N 3.1Å; G137-M139 WeakPolarHBondContact O-CE 3.31Å; G137-M139 PolarHBondContact O-N 3.44Å
138	N	91.1	Very high	91.8	Very high	17 Å²	17	16.9 Å²	16.9	9%	0.091	9%	0.087	C	C	.	.			trans	-81.4	117.3	-178.5	179.1	-82	0	0	0	110.8	K133 E135 Q140 Y141 Q142	K133-N138 WeakPolarHBondContact O-CB 3.3Å; E135-N138 HydrophobicContact CB-CB 4.33Å; E135-N138 WeakPolarHBondContact O-CB 3.33Å; E135-N138 PolarHBondContact O-N 3.02Å; N138-Q140 VanDerWaalsContact C-N 3.28Å; N138-Q140 PolarHBondContact ND2-OE1 3.41Å; N138-Q140 PolarHBondContact O-N 3.24Å; N138-Q140 WeakPolarHBondContact OD1-CA 3.49Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q140 PolarHBondContact OD1-N 2.95Å; N138-Q140 PolarHBondContact OD1-OE1 3.29Å; N138-Y141 PolarHBondContact O-N 2.8Å; N138-Y141 PolarHBondContact OD1-N 3.5Å; N138-Q142 WeakPolarHBondContact O-CG 3.3Å; N138-Q142 PolarHBondContact O-N 2.88Å
139	M	92.4	Very high	91.2	Very high	1 Å²	1	13.8 Å²	13.8	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-67.2	-26.6	-174.2	-64.5	-60.7	99.8	0	0	113.5	E105 S107 G137 Q142 A143 F266 R268 F337	E105-M139 VanDerWaalsContact CD-CG 3.44Å; E105-M139 HydrophobicContact CG-CB 4.15Å; E105-M139 HydrophobicContact CG-CG 4.06Å; E105-M139 VanDerWaalsContact OE2-CG 3.22Å; E105-M139 WeakPolarHBondContact OE2-CG 3.33Å; S107-M139 PolarHBondContact OG-O 3.19Å; G137-M139 WeakPolarHBondContact O-CE 3.31Å; G137-M139 PolarHBondContact O-N 3.44Å; M139-Q142 HydrophobicContact CE-CG 4.12Å; M139-Q142 PolarHBondContact O-N 3.43Å; M139-A143 WeakPolarHBondContact O-CB 3.18Å; M139-A143 PolarHBondContact O-N 2.99Å; M139-F266 HydrophobicContact SD-CD1 4.34Å; M139-F266 HydrophobicContact SD-CE1 3.8Å; M139-R268 HydrophobicContact CG-CB 4.4Å; M139-R268 HydrophobicContact SD-CB 3.93Å; M139-R268 HydrophobicContact SD-CG 4.5Å; M139-F337 HydrophobicContact SD-CE2 4.49Å
140	Q	95.9	Very high	90.3	Very high	3 Å²	3	14.4 Å²	14.4	1%	0.014	8%	0.08	C	C	.	.	H	α-helix	trans	-73.4	-39.9	178.2	-62.9	77.1	44.8	0	0	111.4	E105 S107 L131 P132 N138 A143 L144 V226 T227	E105-Q140 PolarHBondContact OE1-NE2 3.26Å; S107-Q140 PolarHBondContact OG-N 3.33Å; S107-Q140 PolarHBondContact OG-NE2 2.86Å; L131-Q140 HydrophobicContact CD1-CB 4.45Å; P132-Q140 HydrophobicContact CG-CB 3.93Å; P132-Q140 HydrophobicContact CG-CG 4.07Å; N138-Q140 VanDerWaalsContact C-N 3.28Å; N138-Q140 PolarHBondContact ND2-OE1 3.41Å; N138-Q140 PolarHBondContact O-N 3.24Å; N138-Q140 WeakPolarHBondContact OD1-CA 3.49Å; N138-Q140 WeakPolarHBondContact OD1-CB 3.49Å; N138-Q140 PolarHBondContact OD1-N 2.95Å; N138-Q140 PolarHBondContact OD1-OE1 3.29Å; Q140-A143 WeakPolarHBondContact O-CB 3.06Å; Q140-A143 PolarHBondContact O-N 2.9Å; Q140-L144 PolarHBondContact O-N 3.4Å; Q140-V226 HydrophobicContact CB-CB 4.05Å; Q140-V226 HydrophobicContact CB-CG1 3.6Å; Q140-V226 HydrophobicContact CG-CG1 4.03Å; Q140-T227 WeakPolarHBondContact CG-O 3.44Å
141	Y	94.2	Very high	89.4	Confident	4 Å²	4	19.8 Å²	19.8	2%	0.016	11%	0.108	C	C	.	.	H	α-helix	trans	-63.2	-46.2	168.6	169.9	-115.9	0	0	0	111.2	L131 V134 E135 N138 A143 L144 I145 A165 L168	L131-Y141 HydrophobicContact CD2-CD2 4.06Å; V134-Y141 HydrophobicContact CG1-CD2 4.26Å; V134-Y141 HydrophobicContact CG1-CE2 4.02Å; E135-Y141 WeakPolarHBondContact O-CD1 3.34Å; N138-Y141 PolarHBondContact O-N 2.8Å; N138-Y141 PolarHBondContact OD1-N 3.5Å; Y141-A143 VanDerWaalsContact C-N 3.25Å; Y141-A143 PolarHBondContact O-N 3.11Å; Y141-L144 PolarHBondContact O-N 2.63Å; Y141-I145 HydrophobicContact CD1-CD1 4.33Å; Y141-I145 HydrophobicContact CD2-CG2 4.14Å; Y141-I145 HydrophobicContact CE1-CD1 3.73Å; Y141-I145 HydrophobicContact CE2-CD1 4.48Å; Y141-I145 HydrophobicContact CE2-CG2 3.58Å; Y141-I145 PolarHBondContact O-N 3.35Å; Y141-A165 HydrophobicContact CE2-CB 4.09Å; Y141-A165 PolarHBondContact OH-N 2.84Å; Y141-L168 HydrophobicContact CD2-CD1 3.95Å; Y141-L168 HydrophobicContact CE2-CD1 3.86Å
142	Q	90.9	Very high	88.7	Confident	2 Å²	2	22 Å²	22	1%	0.009	13%	0.131	C	C	.	.	H	α-helix	trans	-59.1	-36.7	175.9	-68.9	-58.8	-34.8	0	0	112.2	E136 N138 M139 L144 I145 S146 F266	E136-Q142 WeakPolarHBondContact O-CG 3.45Å; E136-Q142 PolarHBondContact O-NE2 3.22Å; E136-Q142 PolarHBondContact OE2-NE2 3.17Å; N138-Q142 WeakPolarHBondContact O-CG 3.3Å; N138-Q142 PolarHBondContact O-N 2.88Å; M139-Q142 HydrophobicContact CE-CG 4.12Å; M139-Q142 PolarHBondContact O-N 3.43Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 3.01Å; Q142-I145 PolarHBondContact O-N 3.38Å; Q142-S146 WeakPolarHBondContact O-CA 3.32Å; Q142-S146 WeakPolarHBondContact O-CB 3.35Å; Q142-S146 PolarHBondContact O-N 3.25Å; Q142-S146 PolarHBondContact O-OG 3.04Å; Q142-F266 HydrophobicContact CB-CD1 4.39Å; Q142-F266 HydrophobicContact CB-CE1 4Å; Q142-F266 HydrophobicContact CB-CZ 4.43Å
143	A	92.6	Very high	88.3	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	14%	0.143	C	C	.	.	H	α-helix	trans	-58.6	-42.3	177.4	0	0	0	0	0	112	M139 Q140 Y141 V147 W265 F266	M139-A143 WeakPolarHBondContact O-CB 3.18Å; M139-A143 PolarHBondContact O-N 2.99Å; Q140-A143 WeakPolarHBondContact O-CB 3.06Å; Q140-A143 PolarHBondContact O-N 2.9Å; Y141-A143 VanDerWaalsContact C-N 3.25Å; Y141-A143 PolarHBondContact O-N 3.11Å; A143-V147 VanDerWaalsContact O-CB 3.26Å; A143-V147 WeakPolarHBondContact O-CB 3.47Å; A143-V147 WeakPolarHBondContact O-CG2 3.37Å; A143-V147 PolarHBondContact O-N 3.06Å; A143-W265 HydrophobicContact CB-CB 4.43Å; A143-F266 HydrophobicContact CB-CB 3.55Å; A143-F266 HydrophobicContact CB-CG 4.31Å
144	L	93.4	Very high	88.1	Confident	1 Å²	1	21.2 Å²	21.2	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-70.5	-53	177.6	-66.7	-175.5	0	0	0	111.7	L129 L131 Q140 Y141 Q142 S146 V147 L148 L168 F172 V226 W265	L129-L144 HydrophobicContact CD1-CD1 4.28Å; L129-L144 HydrophobicContact CD2-CD1 3.75Å; L131-L144 HydrophobicContact CD1-CD1 3.81Å; L131-L144 HydrophobicContact CD1-CG 4.49Å; L131-L144 HydrophobicContact CD2-CD1 4.48Å; Q140-L144 PolarHBondContact O-N 3.4Å; Y141-L144 PolarHBondContact O-N 2.63Å; Q142-L144 VanDerWaalsContact C-N 3.32Å; Q142-L144 PolarHBondContact O-N 3.01Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 2.99Å; L144-V147 PolarHBondContact O-N 2.9Å; L144-L148 HydrophobicContact CB-CD1 4.27Å; L144-L148 HydrophobicContact CD2-CD1 4.19Å; L144-L148 WeakPolarHBondContact O-CB 3.48Å; L144-L148 WeakPolarHBondContact O-CG 3.29Å; L144-L148 PolarHBondContact O-N 3.06Å; L144-L168 HydrophobicContact CB-CD1 3.88Å; L144-L168 HydrophobicContact CB-CD2 4.21Å; L144-L168 HydrophobicContact CD1-CD1 4.04Å; L144-F172 HydrophobicContact CD1-CE2 4.11Å; L144-F172 HydrophobicContact CD1-CZ 4.34Å; L144-V226 HydrophobicContact CD1-CG2 3.89Å; L144-V226 HydrophobicContact CD2-CG2 3.87Å; L144-V226 HydrophobicContact CG-CG2 3.91Å; L144-W265 HydrophobicContact CD2-CE3 4.48Å; L144-W265 HydrophobicContact CD2-CZ3 4.07Å
145	I	89.1	Confident	87.8	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.01	14%	0.143	C	C	.	.	H	α-helix	trans	-70.6	-25.2	-174.1	66.9	171	0	0	0	112.9	Y141 Q142 L149 P150 P164 L168 P344	Y141-I145 HydrophobicContact CD1-CD1 4.33Å; Y141-I145 HydrophobicContact CD2-CG2 4.14Å; Y141-I145 HydrophobicContact CE1-CD1 3.73Å; Y141-I145 HydrophobicContact CE2-CD1 4.48Å; Y141-I145 HydrophobicContact CE2-CG2 3.58Å; Y141-I145 PolarHBondContact O-N 3.35Å; Q142-I145 PolarHBondContact O-N 3.38Å; I145-L149 HydrophobicContact CB-CD1 4.23Å; I145-P150 WeakPolarHBondContact O-CD 3.4Å; I145-P164 HydrophobicContact CB-CB 4.23Å; I145-P164 HydrophobicContact CD1-CB 4.17Å; I145-P164 HydrophobicContact CD1-CG 4.48Å; I145-P164 HydrophobicContact CG2-CB 3.8Å; I145-L168 HydrophobicContact CG2-CD1 3.62Å; I145-L168 HydrophobicContact CG2-CD2 4.27Å; I145-L168 HydrophobicContact CG2-CG 3.91Å; I145-P344 HydrophobicContact CB-CB 4.46Å; I145-P344 HydrophobicContact CD1-CG 4.45Å; I145-P344 WeakPolarHBondContact O-CB 3.41Å
146	S	85.2	Confident	87.6	Confident	0 Å²	0	22.4 Å²	22.4	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-86.4	-10.8	179.2	-53.7	0	0	0	0	113.2	Q142 L144 P150 L336 S340	Q142-S146 WeakPolarHBondContact O-CA 3.32Å; Q142-S146 WeakPolarHBondContact O-CB 3.35Å; Q142-S146 PolarHBondContact O-N 3.25Å; Q142-S146 PolarHBondContact O-OG 3.04Å; L144-S146 VanDerWaalsContact C-N 3.28Å; L144-S146 PolarHBondContact O-N 2.99Å; S146-P150 VanDerWaalsContact O-CG 3.24Å; S146-P150 WeakPolarHBondContact O-CG 3.25Å; S146-L336 VanDerWaalsContact O-CD1 3.29Å; S146-L336 WeakPolarHBondContact O-CD1 3.36Å; S146-S340 WeakPolarHBondContact OG-CB 3.4Å
147	V	85.4	Confident	87.6	Confident	1 Å²	1	28.8 Å²	28.8	1%	0.006	17%	0.171	C	C	.	.	H	α-helix	trans	-106.3	-54.4	176.6	172.4	0	0	0	0	110.5	A143 L144 P150 L151 L252 W265 L336	A143-V147 VanDerWaalsContact O-CB 3.26Å; A143-V147 WeakPolarHBondContact O-CB 3.47Å; A143-V147 WeakPolarHBondContact O-CG2 3.37Å; A143-V147 PolarHBondContact O-N 3.06Å; L144-V147 PolarHBondContact O-N 2.9Å; V147-P150 WeakPolarHBondContact O-CD 3.46Å; V147-L151 HydrophobicContact CG1-CD1 3.8Å; V147-L151 VanDerWaalsContact O-CB 3.26Å; V147-L151 WeakPolarHBondContact O-CB 3.44Å; V147-L151 VanDerWaalsContact O-CG 3.25Å; V147-L151 WeakPolarHBondContact O-CG 3.31Å; V147-L151 PolarHBondContact O-N 2.97Å; V147-L151 VanDerWaalsContact O-N 3.13Å; V147-L252 HydrophobicContact CB-CD2 4.34Å; V147-L252 HydrophobicContact CG1-CD2 3.41Å; V147-L252 VanDerWaalsContact CG1-CD2 3.41Å; V147-L252 HydrophobicContact CG2-CD2 3.98Å; V147-W265 HydrophobicContact CB-CE3 4.12Å; V147-W265 HydrophobicContact CB-CZ3 4.27Å; V147-W265 HydrophobicContact CG1-CE3 3.97Å; V147-W265 HydrophobicContact CG1-CZ3 3.88Å; V147-W265 HydrophobicContact CG2-CE3 4.13Å; V147-L336 HydrophobicContact CG2-CD1 4.46Å; V147-L336 HydrophobicContact CG2-CD2 4.26Å
148	L	89.9	Confident	87.7	Confident	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70	-47.4	-167.5	-62.5	-179.9	0	0	0	113.7	V121 L124 L144 I153 I154 L168 Y171 F172 W265	V121-L148 HydrophobicContact CG1-CD2 3.57Å; L124-L148 HydrophobicContact CD1-CD2 4.13Å; L144-L148 HydrophobicContact CB-CD1 4.27Å; L144-L148 HydrophobicContact CD2-CD1 4.19Å; L144-L148 WeakPolarHBondContact O-CB 3.48Å; L144-L148 WeakPolarHBondContact O-CG 3.29Å; L144-L148 PolarHBondContact O-N 3.06Å; L148-I153 HydrophobicContact CB-CB 4.47Å; L148-I153 HydrophobicContact CD2-CB 4.09Å; L148-I153 HydrophobicContact CD2-CG1 4.28Å; L148-I153 HydrophobicContact CD2-CG2 3.93Å; L148-I153 WeakPolarHBondContact O-CB 3.32Å; L148-I153 PolarHBondContact O-N 2.92Å; L148-I154 HydrophobicContact CB-CD1 3.97Å; L148-I154 HydrophobicContact CB-CG1 4.13Å; L148-I154 HydrophobicContact CD1-CD1 4.34Å; L148-I154 PolarHBondContact O-N 3.38Å; L148-L168 HydrophobicContact CD1-CD2 4.02Å; L148-Y171 HydrophobicContact CD1-CD1 4.36Å; L148-Y171 HydrophobicContact CD1-CE1 4.13Å; L148-F172 HydrophobicContact CD1-CE2 4.01Å; L148-F172 HydrophobicContact CD1-CZ 4.14Å; L148-W265 HydrophobicContact CD2-CH2 4.46Å; L148-W265 HydrophobicContact CD2-CZ3 4.23Å
149	L	85.3	Confident	87.5	Confident	9 Å²	9	31.6 Å²	31.6	5%	0.047	17%	0.174	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-46.3	178.2	-48.1	167.7	0	0	0	111.3	I145 L151 G152 I154 V159 P164 T167 P344 F345	I145-L149 HydrophobicContact CB-CD1 4.23Å; L149-L151 PolarHBondContact O-N 3.48Å; L149-G152 PolarHBondContact O-N 3.41Å; L149-G152 VanDerWaalsContact O-N 3.14Å; L149-I154 HydrophobicContact CD2-CB 4.05Å; L149-I154 HydrophobicContact CD2-CD1 3.82Å; L149-I154 HydrophobicContact CD2-CG1 4.41Å; L149-I154 HydrophobicContact CD2-CG2 4.32Å; L149-V159 HydrophobicContact CD2-CG2 4.24Å; L149-P164 HydrophobicContact CD1-CB 4.19Å; L149-T167 HydrophobicContact CD2-CG2 3.59Å; L149-P344 WeakPolarHBondContact CB-O 3.47Å; L149-P344 HydrophobicContact CD1-CB 4.01Å; L149-P344 HydrophobicContact CD1-CG 4.46Å; L149-F345 HydrophobicContact CD1-CD1 4.17Å; L149-F345 HydrophobicContact CD1-CE1 4Å
150	P	78.9	Confident	87	Confident	13 Å²	13	32.9 Å²	32.9	8%	0.084	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67	-31.6	-175.6	-34.4	48.2	0	0	0	115	I145 S146 V147 G152 R339	I145-P150 WeakPolarHBondContact O-CD 3.4Å; S146-P150 VanDerWaalsContact O-CG 3.24Å; S146-P150 WeakPolarHBondContact O-CG 3.25Å; V147-P150 WeakPolarHBondContact O-CD 3.46Å; P150-G152 VanDerWaalsContact C-N 3.31Å; P150-R339 VanDerWaalsContact CA-NH2 3.33Å; P150-R339 VanDerWaalsContact CB-NH1 3.34Å; P150-R339 PolarHBondContact O-NH1 3.34Å; P150-R339 PolarHBondContact O-NH2 3.3Å
151	L	79	Confident	86.1	Confident	113 Å²	113	35.8 Å²	35.8	59%	0.592	20%	0.201	S	C	*	.	T	Hydrogen-bonded Turn	trans	-87.7	1.3	176.8	-63.5	178.3	0	0	0	112.8	V147 L149 I153	V147-L151 HydrophobicContact CG1-CD1 3.8Å; V147-L151 VanDerWaalsContact O-CB 3.26Å; V147-L151 WeakPolarHBondContact O-CB 3.44Å; V147-L151 VanDerWaalsContact O-CG 3.25Å; V147-L151 WeakPolarHBondContact O-CG 3.31Å; V147-L151 PolarHBondContact O-N 2.97Å; V147-L151 VanDerWaalsContact O-N 3.13Å; L149-L151 PolarHBondContact O-N 3.48Å; L151-I153 HydrophobicContact CB-CD1 4.39Å; L151-I153 HydrophobicContact CB-CG1 4.02Å; L151-I153 PolarHBondContact O-N 3.31Å
152	G	83.8	Confident	85.3	Confident	48 Å²	48	41 Å²	41	50%	0.495	22%	0.221	S	C	.	.	T	Hydrogen-bonded Turn	trans	67.4	19.8	-178.6	0	0	0	0	0	113.9	L149 P150 I154	L149-G152 PolarHBondContact O-N 3.41Å; L149-G152 VanDerWaalsContact O-N 3.14Å; P150-G152 VanDerWaalsContact C-N 3.31Å; G152-I154 PolarHBondContact O-N 3.04Å
153	I	88.6	Confident	84.7	Confident	48 Å²	48	41.4 Å²	41.4	25%	0.246	22%	0.223	C	C	.	.	S	Bend	trans	-62.4	-40.1	173.9	-55.3	-60.3	0	0	0	109.7	V121 L148 L151 P155 Y171	V121-I153 HydrophobicContact CG1-CD1 4.17Å; V121-I153 HydrophobicContact CG1-CG1 3.92Å; V121-I153 HydrophobicContact CG1-CG2 4.18Å; L148-I153 HydrophobicContact CB-CB 4.47Å; L148-I153 HydrophobicContact CD2-CB 4.09Å; L148-I153 HydrophobicContact CD2-CG1 4.28Å; L148-I153 HydrophobicContact CD2-CG2 3.93Å; L148-I153 WeakPolarHBondContact O-CB 3.32Å; L148-I153 PolarHBondContact O-N 2.92Å; L151-I153 HydrophobicContact CB-CD1 4.39Å; L151-I153 HydrophobicContact CB-CG1 4.02Å; L151-I153 PolarHBondContact O-N 3.31Å; I153-P155 WeakPolarHBondContact O-CD 3.5Å; I153-Y171 WeakPolarHBondContact CG2-OH 3.27Å
154	I	90	Very high	84.4	Confident	4 Å²	4	42 Å²	42	2%	0.021	23%	0.227	C	C	.	.	S	Bend	trans	-92.2	114.3	166.8	-56.2	178	0	0	0	106.9	L148 L149 G152 E158 T167 L168 Y171	L148-I154 HydrophobicContact CB-CD1 3.97Å; L148-I154 HydrophobicContact CB-CG1 4.13Å; L148-I154 HydrophobicContact CD1-CD1 4.34Å; L148-I154 PolarHBondContact O-N 3.38Å; L149-I154 HydrophobicContact CD2-CB 4.05Å; L149-I154 HydrophobicContact CD2-CD1 3.82Å; L149-I154 HydrophobicContact CD2-CG1 4.41Å; L149-I154 HydrophobicContact CD2-CG2 4.32Å; G152-I154 PolarHBondContact O-N 3.04Å; I154-E158 HydrophobicContact CG2-CB 4.1Å; I154-T167 HydrophobicContact CD1-CG2 4.18Å; I154-T167 HydrophobicContact CG2-CG2 3.99Å; I154-L168 HydrophobicContact CD1-CD2 4.18Å; I154-Y171 HydrophobicContact CB-CD2 4.49Å; I154-Y171 HydrophobicContact CD1-CD1 3.94Å; I154-Y171 HydrophobicContact CD1-CD2 4.06Å; I154-Y171 HydrophobicContact CD1-CG 3.67Å; I154-Y171 HydrophobicContact CG1-CD1 4.16Å; I154-Y171 HydrophobicContact CG1-CD2 3.6Å; I154-Y171 HydrophobicContact CG1-CE1 4.39Å; I154-Y171 HydrophobicContact CG1-CE2 3.84Å; I154-Y171 HydrophobicContact CG1-CG 3.75Å; I154-Y171 HydrophobicContact CG2-CD2 4.5Å
155	P	85.3	Confident	84.1	Confident	50 Å²	50	42 Å²	42	33%	0.325	23%	0.228	S	C	.	.			trans	-57.3	143.1	178.6	-25.5	35.5	0	0	0	111.6	I153 K157 E158	I153-P155 WeakPolarHBondContact O-CD 3.5Å; P155-K157 HydrophobicContact CB-CG 4.22Å; P155-K157 PolarHBondContact O-N 3.48Å; P155-E158 WeakPolarHBondContact O-CB 3.17Å; P155-E158 PolarHBondContact O-N 3.14Å
156	T	82	Confident	84	Confident	67 Å²	67	43 Å²	43	41%	0.411	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-53.9	-33.5	-177.2	-56.4	0	0	0	0	114.1	E158 V159	T156-E158 PolarHBondContact O-N 3.36Å; T156-V159 WeakPolarHBondContact O-CB 3.37Å; T156-V159 PolarHBondContact O-N 3.14Å
157	K	83.4	Confident	84.2	Confident	180 Å²	180	43 Å²	43	78%	0.783	23%	0.232	S	C	*	.	G	3₁₀ helix	trans	-68.8	-17.3	178.3	66.9	-178.2	-178.7	176.6	0	114.2	P155	P155-K157 HydrophobicContact CB-CG 4.22Å; P155-K157 PolarHBondContact O-N 3.48Å
158	E	86.7	Confident	84.5	Confident	94 Å²	94	43 Å²	43	44%	0.439	23%	0.232	S	C	.	.	G	3₁₀ helix	trans	-97.4	-2.7	179.6	-65.9	172.7	-148.4	0	0	112.4	I154 P155 T156 D160	I154-E158 HydrophobicContact CG2-CB 4.1Å; P155-E158 WeakPolarHBondContact O-CB 3.17Å; P155-E158 PolarHBondContact O-N 3.14Å; T156-E158 PolarHBondContact O-N 3.36Å; E158-D160 PolarHBondContact O-N 3Å
159	V	85.6	Confident	84.6	Confident	24 Å²	24	43.1 Å²	43.1	15%	0.145	23%	0.233	C	C	.	.			trans	-69.6	122.9	177.3	174.5	0	0	0	0	110.2	L149 T156 T167 F345	L149-V159 HydrophobicContact CD2-CG2 4.24Å; T156-V159 WeakPolarHBondContact O-CB 3.37Å; T156-V159 PolarHBondContact O-N 3.14Å; V159-T167 HydrophobicContact CG2-CG2 4.47Å; V159-F345 HydrophobicContact CG1-CD1 3.47Å; V159-F345 VanDerWaalsContact CG1-CD1 3.47Å; V159-F345 HydrophobicContact CG1-CE1 3.39Å
160	D	82.4	Confident	84.9	Confident	28 Å²	28	45.7 Å²	45.7	15%	0.15	25%	0.247	C	C	.	.			trans	-90	111	175.1	-166.8	-46.7	0	0	0	110.1	E158 R162 S163 Q166 T167 N170	E158-D160 PolarHBondContact O-N 3Å; D160-R162 PolarHBondContact O-N 2.92Å; D160-R162 VanDerWaalsContact O-N 3.1Å; D160-R162 WeakPolarHBondContact OD1-CB 3.38Å; D160-R162 VanDerWaalsContact OD1-CG 3.23Å; D160-R162 WeakPolarHBondContact OD1-CG 3.4Å; D160-R162 IonicContact OD1-CZ 3.64Å; D160-R162 PolarHBondContact OD1-N 3.22Å; D160-R162 IonicContact OD1-NE 3.88Å; D160-R162 PolarHBondContact OD1-NE 2.89Å; D160-R162 IonicContact OD2-CZ 3.33Å; D160-R162 IonicContact OD2-NE 3.76Å; D160-R162 PolarHBondContact OD2-NE 3.41Å; D160-R162 VanDerWaalsContact OD2-NE 3.13Å; D160-R162 IonicContact OD2-NH2 2.99Å; D160-R162 PolarHBondContact OD2-NH2 3.23Å; D160-S163 PolarHBondContact O-N 3.48Å; D160-S163 VanDerWaalsContact O-O 3.07Å; D160-Q166 HydrophobicContact CB-CB 4.23Å; D160-Q166 HydrophobicContact CB-CG 3.93Å; D160-Q166 VanDerWaalsContact CG-CG 3.42Å; D160-Q166 WeakPolarHBondContact OD2-CG 3.42Å; D160-T167 PolarHBondContact N-OG1 2.84Å; D160-T167 PolarHBondContact O-OG1 2.81Å; D160-N170 PolarHBondContact OD2-ND2 2.85Å
161	C	77.4	Confident	85.6	Confident	64 Å²	64	45.8 Å²	45.8	43%	0.432	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.3	-4.8	-176.4	-62.4	0	0	0	0	114.4	C350	C161-C350 WeakPolarHBondContact CA-SG 3.39Å; C161-C350 HydrophobicContact CB-CB 3.85Å; C161-C350 WeakPolarHBondContact CB-SG 3.22Å; C161-C350 WeakPolarHBondContact SG-CA 3.04Å; C161-C350 WeakPolarHBondContact SG-CB 3.06Å; C161-C350 CovalentContact SG-SG 2.05Å; C161-C350 PolarHBondContact SG-SG 3.3Å
162	R	76.1	Confident	86.4	Confident	114 Å²	114	40.4 Å²	40.4	43%	0.43	22%	0.217	S	C	.	.	T	Hydrogen-bonded Turn	trans	-62.8	-46.9	170.5	-66.5	179.3	-73.8	172.2	-5.1	110.3	D160 Q166 R598	D160-R162 PolarHBondContact O-N 2.92Å; D160-R162 VanDerWaalsContact O-N 3.1Å; D160-R162 WeakPolarHBondContact OD1-CB 3.38Å; D160-R162 VanDerWaalsContact OD1-CG 3.23Å; D160-R162 WeakPolarHBondContact OD1-CG 3.4Å; D160-R162 IonicContact OD1-CZ 3.64Å; D160-R162 PolarHBondContact OD1-N 3.22Å; D160-R162 IonicContact OD1-NE 3.88Å; D160-R162 PolarHBondContact OD1-NE 2.89Å; D160-R162 IonicContact OD2-CZ 3.33Å; D160-R162 IonicContact OD2-NE 3.76Å; D160-R162 PolarHBondContact OD2-NE 3.41Å; D160-R162 VanDerWaalsContact OD2-NE 3.13Å; D160-R162 IonicContact OD2-NH2 2.99Å; D160-R162 PolarHBondContact OD2-NH2 3.23Å; R162-Q166 VanDerWaalsContact NH2-CG 3.29Å; R162-R598 PolarHBondContact O-NH1 2.94Å; R162-R598 VanDerWaalsContact O-NH1 3.1Å; R162-R598 PolarHBondContact O-NH2 2.95Å
163	S	79.3	Confident	87	Confident	9 Å²	9	38.5 Å²	38.5	6%	0.063	20%	0.197	C	C	.	.			trans	-170.2	160	176.5	69.7	0	0	0	0	113.8	D160 A165 Q166 T167 W181	D160-S163 PolarHBondContact O-N 3.48Å; D160-S163 VanDerWaalsContact O-O 3.07Å; S163-A165 PolarHBondContact O-N 2.95Å; S163-A165 PolarHBondContact OG-N 3.31Å; S163-Q166 PolarHBondContact O-N 3.42Å; S163-Q166 WeakPolarHBondContact OG-CB 3.5Å; S163-Q166 PolarHBondContact OG-N 3Å; S163-T167 PolarHBondContact O-N 3.49Å; S163-T167 VanDerWaalsContact O-N 3.14Å; S163-T167 PolarHBondContact O-OG1 2.88Å; S163-W181 WeakPolarHBondContact CB-O 3.19Å; S163-W181 PolarHBondContact OG-O 3.02Å
164	P	85.4	Confident	87.3	Confident	13 Å²	13	41.6 Å²	41.6	8%	0.084	21%	0.211	C	C	.	.	H	α-helix	trans	-60.4	-35.4	169.4	-16.3	26.7	0	0	0	112.2	I145 L149 Q166 T167 L168 P344 F345	I145-P164 HydrophobicContact CB-CB 4.23Å; I145-P164 HydrophobicContact CD1-CB 4.17Å; I145-P164 HydrophobicContact CD1-CG 4.48Å; I145-P164 HydrophobicContact CG2-CB 3.8Å; L149-P164 HydrophobicContact CD1-CB 4.19Å; P164-Q166 PolarHBondContact O-N 3.43Å; P164-T167 WeakPolarHBondContact O-CB 3.1Å; P164-T167 PolarHBondContact O-N 3.41Å; P164-L168 PolarHBondContact O-N 3.47Å; P164-P344 HydrophobicContact CG-CG 4.23Å; P164-F345 HydrophobicContact CB-CZ 4.05Å; P164-F345 HydrophobicContact CG-CE1 4.37Å; P164-F345 HydrophobicContact CG-CE2 3.76Å; P164-F345 HydrophobicContact CG-CZ 3.49Å; P164-F345 VanDerWaalsContact CG-CZ 3.49Å
165	A	88.2	Confident	87.7	Confident	2 Å²	2	41.4 Å²	41.4	2%	0.017	21%	0.21	C	C	.	.	H	α-helix	trans	-61.7	-40.9	177.1	0	0	0	0	0	112.9	V134 Y141 S163 T167 L168 A169 W181	V134-A165 HydrophobicContact CG1-CB 3.6Å; Y141-A165 HydrophobicContact CE2-CB 4.09Å; Y141-A165 PolarHBondContact OH-N 2.84Å; S163-A165 PolarHBondContact O-N 2.95Å; S163-A165 PolarHBondContact OG-N 3.31Å; A165-T167 VanDerWaalsContact C-N 3.35Å; A165-L168 PolarHBondContact O-N 2.85Å; A165-A169 PolarHBondContact O-N 2.6Å; A165-W181 HydrophobicContact CB-CB 4.06Å; A165-W181 HydrophobicContact CB-CG 4.46Å
166	Q	87.2	Confident	88.2	Confident	22 Å²	22	39.1 Å²	39.1	10%	0.103	20%	0.195	C	C	.	.	H	α-helix	trans	-69.1	-35.9	175.1	-175	62.7	57.1	0	0	111.6	D160 R162 S163 P164 L168 A169 N170	D160-Q166 HydrophobicContact CB-CB 4.23Å; D160-Q166 HydrophobicContact CB-CG 3.93Å; D160-Q166 VanDerWaalsContact CG-CG 3.42Å; D160-Q166 WeakPolarHBondContact OD2-CG 3.42Å; R162-Q166 VanDerWaalsContact NH2-CG 3.29Å; S163-Q166 PolarHBondContact O-N 3.42Å; S163-Q166 WeakPolarHBondContact OG-CB 3.5Å; S163-Q166 PolarHBondContact OG-N 3Å; P164-Q166 PolarHBondContact O-N 3.43Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.16Å; Q166-A169 WeakPolarHBondContact O-CB 3.48Å; Q166-A169 PolarHBondContact O-N 2.91Å; Q166-N170 PolarHBondContact NE2-OD1 3.05Å; Q166-N170 VanDerWaalsContact O-CG 3.24Å; Q166-N170 PolarHBondContact O-N 2.94Å; Q166-N170 PolarHBondContact O-OD1 3.3Å
167	T	89.1	Confident	88.9	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	18%	0.175	C	C	.	.	H	α-helix	trans	-59.9	-45.1	173	-56.6	0	0	0	0	110.9	L149 I154 V159 D160 S163 P164 A165 N170 Y171	L149-T167 HydrophobicContact CD2-CG2 3.59Å; I154-T167 HydrophobicContact CD1-CG2 4.18Å; I154-T167 HydrophobicContact CG2-CG2 3.99Å; V159-T167 HydrophobicContact CG2-CG2 4.47Å; D160-T167 PolarHBondContact N-OG1 2.84Å; D160-T167 PolarHBondContact O-OG1 2.81Å; S163-T167 PolarHBondContact O-N 3.49Å; S163-T167 VanDerWaalsContact O-N 3.14Å; S163-T167 PolarHBondContact O-OG1 2.88Å; P164-T167 WeakPolarHBondContact O-CB 3.1Å; P164-T167 PolarHBondContact O-N 3.41Å; A165-T167 VanDerWaalsContact C-N 3.35Å; T167-N170 PolarHBondContact O-N 3.23Å; T167-Y171 WeakPolarHBondContact O-CB 3.38Å; T167-Y171 PolarHBondContact O-N 2.69Å
168	L	92.3	Very high	89.4	Confident	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62	-42.8	173.5	-65.9	-171.7	0	0	0	112.1	Y141 L144 I145 L148 I154 P164 A165 Q166 N170 Y171 F172 M177	Y141-L168 HydrophobicContact CD2-CD1 3.95Å; Y141-L168 HydrophobicContact CE2-CD1 3.86Å; L144-L168 HydrophobicContact CB-CD1 3.88Å; L144-L168 HydrophobicContact CB-CD2 4.21Å; L144-L168 HydrophobicContact CD1-CD1 4.04Å; I145-L168 HydrophobicContact CG2-CD1 3.62Å; I145-L168 HydrophobicContact CG2-CD2 4.27Å; I145-L168 HydrophobicContact CG2-CG 3.91Å; L148-L168 HydrophobicContact CD1-CD2 4.02Å; I154-L168 HydrophobicContact CD1-CD2 4.18Å; P164-L168 PolarHBondContact O-N 3.47Å; A165-L168 PolarHBondContact O-N 2.85Å; Q166-L168 VanDerWaalsContact C-N 3.33Å; Q166-L168 PolarHBondContact O-N 3.16Å; L168-N170 PolarHBondContact O-N 3.27Å; L168-Y171 PolarHBondContact O-N 2.9Å; L168-F172 HydrophobicContact CB-CD2 4.43Å; L168-F172 HydrophobicContact CD2-CE2 4.23Å; L168-F172 WeakPolarHBondContact O-CD2 3.39Å; L168-F172 PolarHBondContact O-N 2.82Å; L168-M177 HydrophobicContact CB-CE 3.75Å; L168-M177 HydrophobicContact CD1-CE 4.13Å
169	A	91.1	Very high	89.4	Confident	2 Å²	2	23.5 Å²	23.5	2%	0.017	12%	0.123	C	C	.	.	H	α-helix	trans	-60	-31	177.1	0	0	0	0	0	113.2	A165 Q166 Q193	A165-A169 PolarHBondContact O-N 2.6Å; Q166-A169 WeakPolarHBondContact O-CB 3.48Å; Q166-A169 PolarHBondContact O-N 2.91Å; A169-Q193 HydrophobicContact CB-CB 3.67Å; A169-Q193 HydrophobicContact CB-CG 4Å
170	N	91	Very high	89.1	Confident	63 Å²	63	28.3 Å²	28.3	34%	0.337	14%	0.139	S	C	.	.	H	α-helix	trans	-79.2	-39.4	176.5	-65.2	-12.9	0	0	0	112.2	D160 Q166 T167 L168	D160-N170 PolarHBondContact OD2-ND2 2.85Å; Q166-N170 PolarHBondContact NE2-OD1 3.05Å; Q166-N170 VanDerWaalsContact O-CG 3.24Å; Q166-N170 PolarHBondContact O-N 2.94Å; Q166-N170 PolarHBondContact O-OD1 3.3Å; T167-N170 PolarHBondContact O-N 3.23Å; L168-N170 PolarHBondContact O-N 3.27Å
171	Y	94	Very high	89	Confident	16 Å²	16	27.6 Å²	27.6	6%	0.063	13%	0.134	C	C	.	.	H	α-helix	trans	-72	-39.8	-177.2	177.3	-106.3	0	0	0	113.4	L124 A125 N126 L148 I153 I154 T167 L168	L124-Y171 HydrophobicContact CB-CE1 3.9Å; A125-Y171 HydrophobicContact CB-CD2 4.33Å; A125-Y171 HydrophobicContact CB-CE2 3.66Å; A125-Y171 PolarHBondContact N-OH 3.46Å; N126-Y171 PolarHBondContact N-O 3.44Å; L148-Y171 HydrophobicContact CD1-CD1 4.36Å; L148-Y171 HydrophobicContact CD1-CE1 4.13Å; I153-Y171 WeakPolarHBondContact CG2-OH 3.27Å; I154-Y171 HydrophobicContact CB-CD2 4.49Å; I154-Y171 HydrophobicContact CD1-CD1 3.94Å; I154-Y171 HydrophobicContact CD1-CD2 4.06Å; I154-Y171 HydrophobicContact CD1-CG 3.67Å; I154-Y171 HydrophobicContact CG1-CD1 4.16Å; I154-Y171 HydrophobicContact CG1-CD2 3.6Å; I154-Y171 HydrophobicContact CG1-CE1 4.39Å; I154-Y171 HydrophobicContact CG1-CE2 3.84Å; I154-Y171 HydrophobicContact CG1-CG 3.75Å; I154-Y171 HydrophobicContact CG2-CD2 4.5Å; T167-Y171 WeakPolarHBondContact O-CB 3.38Å; T167-Y171 PolarHBondContact O-N 2.69Å; L168-Y171 PolarHBondContact O-N 2.9Å
172	F	96.3	Very high	88.7	Confident	0 Å²	0	25.2 Å²	25.2	0%	0	12%	0.118	C	C	.	.	S	Bend	trans	-85.4	161.4	176.3	-73	-80.9	0	0	0	111.9	L124 K127 L129 L144 L148 L168	L124-F172 HydrophobicContact CB-CE1 3.86Å; L124-F172 HydrophobicContact CB-CZ 4.16Å; L124-F172 HydrophobicContact CD1-CZ 4.31Å; L124-F172 HydrophobicContact CD2-CE1 4.23Å; L124-F172 HydrophobicContact CG-CE1 4.47Å; L124-F172 WeakPolarHBondContact O-CD1 3.49Å; K127-F172 HydrophobicContact CB-CD1 4.47Å; L129-F172 HydrophobicContact CB-CB 4.22Å; L129-F172 HydrophobicContact CB-CD1 3.72Å; L129-F172 HydrophobicContact CB-CE1 4.17Å; L129-F172 HydrophobicContact CB-CG 3.92Å; L129-F172 HydrophobicContact CD1-CE1 4.33Å; L129-F172 HydrophobicContact CD1-CZ 4.45Å; L129-F172 HydrophobicContact CD2-CD1 4.22Å; L129-F172 HydrophobicContact CD2-CD2 3.67Å; L129-F172 HydrophobicContact CD2-CE1 4.3Å; L129-F172 HydrophobicContact CD2-CE2 3.78Å; L129-F172 HydrophobicContact CD2-CG 3.9Å; L129-F172 HydrophobicContact CD2-CZ 4.09Å; L129-F172 HydrophobicContact CG-CD1 4.43Å; L129-F172 HydrophobicContact CG-CG 4.5Å; L144-F172 HydrophobicContact CD1-CE2 4.11Å; L144-F172 HydrophobicContact CD1-CZ 4.34Å; L148-F172 HydrophobicContact CD1-CE2 4.01Å; L148-F172 HydrophobicContact CD1-CZ 4.14Å; L168-F172 HydrophobicContact CB-CD2 4.43Å; L168-F172 HydrophobicContact CD2-CE2 4.23Å; L168-F172 WeakPolarHBondContact O-CD2 3.39Å; L168-F172 PolarHBondContact O-N 2.82Å
173	G	95.4	Very high	88.2	Confident	7 Å²	7	21.2 Å²	21.2	7%	0.072	10%	0.104	C	C	.	.	S	Bend	trans	-80.7	-153.1	174.9	0	0	0	0	0	112.6	K127 S175	K127-G173 PolarHBondContact O-N 2.82Å; G173-S175 PolarHBondContact O-N 2.87Å; G173-S175 VanDerWaalsContact O-N 3.12Å; G173-S175 PolarHBondContact O-OG 3.08Å
174	Q	95.9	Very high	87.3	Confident	113 Å²	113	21.4 Å²	21.4	53%	0.528	10%	0.104	S	C	.	.	S	Bend	trans	-56.5	117.6	172.4	-69.1	-177.5	28.4	0	0	110.4	R128 R192 A195 L196	R128-Q174 WeakPolarHBondContact CA-O 3.13Å; R128-Q174 WeakPolarHBondContact CB-O 3.14Å; R128-Q174 HydrophobicContact CG-CB 4.42Å; R128-Q174 VanDerWaalsContact CG-O 3.23Å; R128-Q174 WeakPolarHBondContact CG-O 3.29Å; Q174-R192 CarbonylContact C-O 3.48Å; Q174-R192 WeakPolarHBondContact CA-O 3.47Å; Q174-A195 HydrophobicContact CB-CB 3.82Å; Q174-A195 HydrophobicContact CG-CB 3.97Å; Q174-L196 WeakPolarHBondContact O-CD1 3.05Å
175	S	97.2	Very high	86	Confident	1 Å²	1	23.7 Å²	23.7	1%	0.007	12%	0.119	C	C	.	.			trans	-136.2	172.1	-166.5	-61.4	0	0	0	0	111.2	L129 G173 R192 Q193 C194 A195 L196	L129-S175 WeakPolarHBondContact CB-OG 3.48Å; L129-S175 PolarHBondContact N-OG 2.77Å; L129-S175 VanDerWaalsContact N-OG 3.12Å; L129-S175 CarbonylContact O-C 3.54Å; L129-S175 WeakPolarHBondContact O-CA 3.4Å; L129-S175 WeakPolarHBondContact O-CB 3.49Å; G173-S175 PolarHBondContact O-N 2.87Å; G173-S175 VanDerWaalsContact O-N 3.12Å; G173-S175 PolarHBondContact O-OG 3.08Å; S175-R192 PolarHBondContact N-O 3.42Å; S175-Q193 CarbonylContact C-O 3.54Å; S175-Q193 CarbonylContact O-C 3.54Å; S175-Q193 VanDerWaalsContact O-O 3.09Å; S175-C194 CarbonylContact O-C 2.93Å; S175-C194 VanDerWaalsContact O-C 3.23Å; S175-C194 WeakPolarHBondContact O-CA 3.45Å; S175-C194 PolarHBondContact O-N 3.24Å; S175-A195 PolarHBondContact O-N 3.02Å; S175-L196 PolarHBondContact O-N 2.8Å
176	C	97	Very high	84.6	Confident	1 Å²	1	29 Å²	29	1%	0.007	15%	0.151	C	C	.	.	B	Isolated β-bridge	trans	-122.8	111	162.7	-179.4	0	0	0	0	108.9	L129 L131 Q193 L196 C197 Y207	L129-C176 PolarHBondContact O-N 2.86Å; L131-C176 PolarHBondContact N-O 2.81Å; C176-Q193 CarbonylContact C-O 3.51Å; C176-Q193 WeakPolarHBondContact CA-O 3.02Å; C176-L196 HydrophobicContact CB-CB 3.89Å; C176-C197 WeakPolarHBondContact CA-SG 3.29Å; C176-C197 HydrophobicContact CB-CB 4.06Å; C176-C197 WeakPolarHBondContact CB-SG 3.43Å; C176-C197 WeakPolarHBondContact SG-CA 3.42Å; C176-C197 WeakPolarHBondContact SG-CB 3.17Å; C176-C197 CovalentContact SG-SG 2.04Å; C176-C197 PolarHBondContact SG-SG 3.29Å; C176-Y207 HydrophobicContact CB-CD2 4.49Å
177	M	95.5	Very high	83.4	Confident	0 Å²	0	30.2 Å²	30.2	0%	0	16%	0.158	C	C	.	.			trans	-128.8	73.9	179.6	-64.9	176.7	65.8	0	0	109.5	L129 L131 V134 L168 G179 W181 Q193	L129-M177 HydrophobicContact CD2-CG 4.3Å; L129-M177 HydrophobicContact CD2-SD 4.27Å; L131-M177 HydrophobicContact CB-CG 4.01Å; L131-M177 HydrophobicContact CD2-CE 3.84Å; L131-M177 HydrophobicContact CD2-CG 4.25Å; V134-M177 HydrophobicContact CG2-CB 3.82Å; V134-M177 HydrophobicContact CG2-CE 3.99Å; L168-M177 HydrophobicContact CB-CE 3.75Å; L168-M177 HydrophobicContact CD1-CE 4.13Å; M177-G179 PolarHBondContact O-N 3.26Å; M177-W181 WeakPolarHBondContact O-CZ2 3.27Å; M177-W181 PolarHBondContact O-NE1 2.8Å; M177-Q193 HydrophobicContact CB-CB 4.39Å; M177-Q193 HydrophobicContact CG-CB 4.45Å; M177-Q193 PolarHBondContact N-O 3.31Å; M177-Q193 HydrophobicContact SD-CB 3.93Å
178	P	93.5	Very high	82.4	Confident	3 Å²	3	31.7 Å²	31.7	2%	0.019	17%	0.166	C	C	.	.			trans	-61.5	137.6	-168	-19.9	31.6	0	0	0	112.8	L131 K133 V134 C201 T202 A208	L131-P178 WeakPolarHBondContact O-CD 3.28Å; K133-P178 CarbonylContact C-O 3.53Å; K133-P178 WeakPolarHBondContact CA-O 3.35Å; V134-P178 PolarHBondContact N-O 3.08Å; P178-C201 CarbonylContact C-O 3.59Å; P178-C201 WeakPolarHBondContact CA-O 3.17Å; P178-T202 VanDerWaalsContact CB-O 3.24Å; P178-T202 WeakPolarHBondContact CB-O 3.45Å; P178-A208 HydrophobicContact CB-CB 4.11Å; P178-A208 HydrophobicContact CG-CB 4.25Å
179	G	87.4	Confident	81.4	Confident	10 Å²	10	36 Å²	36	10%	0.103	20%	0.197	C	C	.	.	B	Isolated β-bridge	trans	128	-142.5	175.7	0	0	0	0	0	114	M177 W181 C201 H203	M177-G179 PolarHBondContact O-N 3.26Å; G179-W181 WeakPolarHBondContact O-CH2 3.29Å; G179-C201 PolarHBondContact N-O 3.3Å; G179-H203 WeakPolarHBondContact CA-CE1 3.18Å; G179-H203 WeakPolarHBondContact CA-NE2 3.2Å
180	R	80.3	Confident	80.6	Confident	125 Å²	125	40.5 Å²	40.5	47%	0.472	23%	0.225	S	C	.	.			trans	-118.4	137.2	-179.5	-69.1	-170.9	175.4	166	-0.7	110.3	V134 D188	V134-R180 WeakPolarHBondContact CG1-O 3.29Å; R180-D188 VanDerWaalsContact CB-OD2 3.31Å; R180-D188 WeakPolarHBondContact CB-OD2 3.49Å; R180-D188 WeakPolarHBondContact CG-OD2 3.48Å
181	W	79.6	Confident	80.4	Confident	14 Å²	14	39.2 Å²	39.2	5%	0.053	23%	0.227	C	C	.	.	S	Bend	trans	-101.8	-23	179	-49.2	-87.9	0	0	0	110.6	S163 A165 M177 G179 D188 Q193 C194 C201	S163-W181 WeakPolarHBondContact CB-O 3.19Å; S163-W181 PolarHBondContact OG-O 3.02Å; A165-W181 HydrophobicContact CB-CB 4.06Å; A165-W181 HydrophobicContact CB-CG 4.46Å; M177-W181 WeakPolarHBondContact O-CZ2 3.27Å; M177-W181 PolarHBondContact O-NE1 2.8Å; G179-W181 WeakPolarHBondContact O-CH2 3.29Å; W181-D188 HydrophobicContact CE3-CB 4.4Å; W181-D188 PolarHBondContact N-OD1 2.84Å; W181-Q193 HydrophobicContact CD2-CG 3.89Å; W181-Q193 HydrophobicContact CG-CG 4.27Å; W181-Q193 HydrophobicContact CH2-CG 4.48Å; W181-Q193 HydrophobicContact CZ2-CG 3.73Å; W181-C194 WeakPolarHBondContact CH2-SG 3.1Å; W181-C194 WeakPolarHBondContact CZ2-SG 3.03Å; W181-C201 HydrophobicContact CH2-CB 4.34Å; W181-C201 VanDerWaalsContact CZ2-SG 3.59Å
182	S	71	Confident	80.2	Confident	14 Å²	14	44.3 Å²	44.3	10%	0.098	25%	0.246	C	C	.	.	S	Bend	trans	-106	157.7	170.4	-174.6	0	0	0	0	111.9	L184 D187 D188	S182-L184 WeakPolarHBondContact CB-O 3.32Å; S182-L184 PolarHBondContact OG-N 2.57Å; S182-L184 PolarHBondContact OG-O 3.37Å; S182-D187 PolarHBondContact OG-OD2 3.45Å; S182-D188 PolarHBondContact N-OD1 3.43Å
183	K	65.8	Low	80	Confident	29 Å²	29	44.9 Å²	44.9	13%	0.126	25%	0.249	C	C	.	.	S	Bend	trans	-73.4	-21	170.1	-64.7	-174.8	-177.2	-178.2	0	111.8	K379 Y605	K183-K379 PolarHBondContact NZ-O 3.08Å; K183-Y605 HydrophobicContact CG-CD2 4.41Å
184	L	59.3	Low	79.9	Confident	13 Å²	13	45.2 Å²	45.2	7%	0.068	25%	0.25	C	S	.	.	S	Bend	trans	-107.1	128.5	176.5	-66	-180	0	0	0	111.2	S182 T186 D187 E601 W643	S182-L184 WeakPolarHBondContact CB-O 3.32Å; S182-L184 PolarHBondContact OG-N 2.57Å; S182-L184 PolarHBondContact OG-O 3.37Å; L184-T186 PolarHBondContact O-N 3.12Å; L184-T186 VanDerWaalsContact O-N 3.07Å; L184-D187 PolarHBondContact O-N 2.05Å; L184-D187 VanDerWaalsContact O-N 3.16Å; L184-E601 HydrophobicContact CD1-CG 3.57Å; L184-E601 WeakPolarHBondContact CD1-OE1 3.37Å; L184-E601 HydrophobicContact CD2-CG 4.04Å; L184-E601 HydrophobicContact CG-CG 3.65Å; L184-W643 HydrophobicContact CD1-CH2 3.72Å; L184-W643 HydrophobicContact CD1-CZ2 4.5Å; L184-W643 HydrophobicContact CD1-CZ3 3.98Å; L184-W643 HydrophobicContact CD2-CH2 3.72Å; L184-W643 HydrophobicContact CD2-CZ2 4.11Å; L184-W643 HydrophobicContact CG-CH2 4.35Å
185	P	58.4	Low	79.9	Confident	61 Å²	61	42.4 Å²	42.4	40%	0.396	25%	0.246	S	C	.	.	G	3₁₀ helix	trans	-56.9	-25.9	175.9	-24	33.1	0	0	0	113.9	D187 D188	P185-D187 VanDerWaalsContact C-N 3.27Å; P185-D187 PolarHBondContact O-N 2.85Å; P185-D188 PolarHBondContact O-N 2.79Å
186	T	59	Low	79.8	Confident	113 Å²	113	43.1 Å²	43.1	69%	0.693	25%	0.25	S	S	*	.	G	3₁₀ helix	trans	-69.5	-22.8	-177.6	53.3	0	0	0	0	113.6	L184	L184-T186 PolarHBondContact O-N 3.12Å; L184-T186 VanDerWaalsContact O-N 3.07Å
187	D	62.7	Low	79.7	Confident	49 Å²	49	43.8 Å²	43.8	26%	0.262	26%	0.255	S	S	.	.	G	3₁₀ helix	trans	-98.8	-5.4	-179.7	-55.5	-29.8	0	0	0	112.2	S182 L184 P185 S189 R597	S182-D187 PolarHBondContact OG-OD2 3.45Å; L184-D187 PolarHBondContact O-N 2.05Å; L184-D187 VanDerWaalsContact O-N 3.16Å; P185-D187 VanDerWaalsContact C-N 3.27Å; P185-D187 PolarHBondContact O-N 2.85Å; D187-S189 PolarHBondContact O-N 2.87Å; D187-R597 IonicContact OD1-CZ 2.99Å; D187-R597 IonicContact OD1-NH2 3.65Å; D187-R597 PolarHBondContact OD1-NH2 3.42Å; D187-R597 IonicContact OD2-CZ 3.91Å; D187-R597 IonicContact OD2-NH2 2.92Å; D187-R597 PolarHBondContact OD2-NH2 2.91Å
188	D	68.2	Low	79.2	Confident	31 Å²	31	45.3 Å²	45.3	17%	0.166	27%	0.265	C	S	.	.			trans	-84.5	90.9	-179.8	-80.7	-37.7	0	0	0	109.9	R180 W181 S182 P185	R180-D188 VanDerWaalsContact CB-OD2 3.31Å; R180-D188 WeakPolarHBondContact CB-OD2 3.49Å; R180-D188 WeakPolarHBondContact CG-OD2 3.48Å; W181-D188 HydrophobicContact CE3-CB 4.4Å; W181-D188 PolarHBondContact N-OD1 2.84Å; S182-D188 PolarHBondContact N-OD1 3.43Å; P185-D188 PolarHBondContact O-N 2.79Å
189	S	69.9	Low	78.5	Confident	92 Å²	92	52.2 Å²	52.2	64%	0.643	30%	0.301	S	S	*	.			trans	-101.4	119.8	165.3	-64	0	0	0	0	109.7	D187 G191 Q193	D187-S189 PolarHBondContact O-N 2.87Å; S189-G191 PolarHBondContact O-N 3.36Å; S189-Q193 PolarHBondContact O-NE2 3.21Å
190	P	74.6	Confident	78.1	Confident	95 Å²	95	55.6 Å²	55.6	62%	0.617	33%	0.328	S	S	*	.			trans	-62.9	124.1	176.2	24.6	-30.7	0	0	0	109.6	C194	P190-C194 HydrophobicContact CB-CB 4.18Å
191	G	86.4	Confident	78.4	Confident	37 Å²	37	49.9 Å²	49.9	38%	0.381	31%	0.308	S	S	.	.			trans	-129.7	-141.8	-179.5	0	0	0	0	0	111.8	S189 Q193 C194 A195	S189-G191 PolarHBondContact O-N 3.36Å; G191-Q193 VanDerWaalsContact C-OE1 3.26Å; G191-Q193 PolarHBondContact O-N 3.37Å; G191-Q193 VanDerWaalsContact O-N 3.1Å; G191-C194 PolarHBondContact O-N 2.85Å; G191-A195 PolarHBondContact O-N 3.41Å
192	R	90.9	Very high	78.8	Confident	122 Å²	122	52.3 Å²	52.3	46%	0.46	32%	0.324	S	S	.	.	G	3₁₀ helix	trans	-54.7	-31.5	179.6	-66.2	-172	-64.6	156.2	6.6	112.7	Q174 S175 C194 A195	Q174-R192 CarbonylContact C-O 3.48Å; Q174-R192 WeakPolarHBondContact CA-O 3.47Å; S175-R192 PolarHBondContact N-O 3.42Å; R192-C194 PolarHBondContact O-N 2.56Å; R192-C194 VanDerWaalsContact O-N 3.14Å; R192-A195 WeakPolarHBondContact O-CB 3.46Å; R192-A195 PolarHBondContact O-N 3.28Å
193	Q	92.1	Very high	79.4	Confident	12 Å²	12	55.1 Å²	55.1	6%	0.056	34%	0.335	C	S	.	.	G	3₁₀ helix	trans	-65.4	-9.9	177	71.1	-76.1	7.8	0	0	115.1	A169 S175 C176 M177 W181 S189 G191	A169-Q193 HydrophobicContact CB-CB 3.67Å; A169-Q193 HydrophobicContact CB-CG 4Å; S175-Q193 CarbonylContact C-O 3.54Å; S175-Q193 CarbonylContact O-C 3.54Å; S175-Q193 VanDerWaalsContact O-O 3.09Å; C176-Q193 CarbonylContact C-O 3.51Å; C176-Q193 WeakPolarHBondContact CA-O 3.02Å; M177-Q193 HydrophobicContact CB-CB 4.39Å; M177-Q193 HydrophobicContact CG-CB 4.45Å; M177-Q193 PolarHBondContact N-O 3.31Å; M177-Q193 HydrophobicContact SD-CB 3.93Å; W181-Q193 HydrophobicContact CD2-CG 3.89Å; W181-Q193 HydrophobicContact CG-CG 4.27Å; W181-Q193 HydrophobicContact CH2-CG 4.48Å; W181-Q193 HydrophobicContact CZ2-CG 3.73Å; S189-Q193 PolarHBondContact O-NE2 3.21Å; G191-Q193 VanDerWaalsContact C-OE1 3.26Å; G191-Q193 PolarHBondContact O-N 3.37Å; G191-Q193 VanDerWaalsContact O-N 3.1Å
194	C	93.7	Very high	80.4	Confident	15 Å²	15	62.7 Å²	62.7	10%	0.101	37%	0.371	C	S	.	.	G	3₁₀ helix	trans	-118.8	-0.3	176.1	-69	0	0	0	0	114.2	S175 W181 P190 G191 R192 L196 C197 C201	S175-C194 CarbonylContact O-C 2.93Å; S175-C194 VanDerWaalsContact O-C 3.23Å; S175-C194 WeakPolarHBondContact O-CA 3.45Å; S175-C194 PolarHBondContact O-N 3.24Å; W181-C194 WeakPolarHBondContact CH2-SG 3.1Å; W181-C194 WeakPolarHBondContact CZ2-SG 3.03Å; P190-C194 HydrophobicContact CB-CB 4.18Å; G191-C194 PolarHBondContact O-N 2.85Å; R192-C194 PolarHBondContact O-N 2.56Å; R192-C194 VanDerWaalsContact O-N 3.14Å; C194-L196 PolarHBondContact O-N 3.43Å; C194-C197 PolarHBondContact O-N 3.45Å; C194-C201 VanDerWaalsContact CA-SG 3.55Å; C194-C201 HydrophobicContact CB-CB 3.57Å; C194-C201 WeakPolarHBondContact CB-SG 3.33Å; C194-C201 WeakPolarHBondContact SG-CB 3.44Å; C194-C201 CovalentContact SG-SG 2.04Å; C194-C201 PolarHBondContact SG-SG 2.86Å
195	A	94.8	Very high	81.8	Confident	54 Å²	54	63 Å²	63	45%	0.446	38%	0.377	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-26.7	-173.6	0	0	0	0	0	113.7	Q174 S175 G191 R192	Q174-A195 HydrophobicContact CB-CB 3.82Å; Q174-A195 HydrophobicContact CG-CB 3.97Å; S175-A195 PolarHBondContact O-N 3.02Å; G191-A195 PolarHBondContact O-N 3.41Å; R192-A195 WeakPolarHBondContact O-CB 3.46Å; R192-A195 PolarHBondContact O-N 3.28Å
196	L	95.9	Very high	83.5	Confident	16 Å²	16	62.4 Å²	62.4	8%	0.084	37%	0.373	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.3	-13.7	178.5	-54.2	-177.7	0	0	0	113.7	R128 Q174 S175 C176 C194 R220 A222	R128-L196 HydrophobicContact CB-CD1 4.05Å; Q174-L196 WeakPolarHBondContact O-CD1 3.05Å; S175-L196 PolarHBondContact O-N 2.8Å; C176-L196 HydrophobicContact CB-CB 3.89Å; C194-L196 PolarHBondContact O-N 3.43Å; L196-R220 HydrophobicContact CB-CB 4.24Å; L196-R220 HydrophobicContact CB-CG 4.18Å; L196-R220 HydrophobicContact CD1-CB 4.42Å; L196-R220 HydrophobicContact CD2-CB 4.37Å; L196-R220 WeakPolarHBondContact O-CG 3.45Å; L196-R220 PolarHBondContact O-NE 2.9Å; L196-A222 HydrophobicContact CD1-CB 3.98Å
197	C	94.1	Very high	85.3	Confident	15 Å²	15	57.3 Å²	57.3	10%	0.101	34%	0.341	C	S	.	.	S	Bend	trans	-72.8	139.3	-179	-64.5	0	0	0	0	110.7	C176 C194 C201	C176-C197 WeakPolarHBondContact CA-SG 3.29Å; C176-C197 HydrophobicContact CB-CB 4.06Å; C176-C197 WeakPolarHBondContact CB-SG 3.43Å; C176-C197 WeakPolarHBondContact SG-CA 3.42Å; C176-C197 WeakPolarHBondContact SG-CB 3.17Å; C176-C197 CovalentContact SG-SG 2.04Å; C176-C197 PolarHBondContact SG-SG 3.29Å; C194-C197 PolarHBondContact O-N 3.45Å; C197-C201 HydrophobicContact CB-CB 4.13Å; C197-C201 PolarHBondContact SG-SG 3.47Å
198	P	86.5	Confident	86.8	Confident	32 Å²	32	55.4 Å²	55.4	21%	0.208	33%	0.333	C	S	.	.	S	Bend	trans	-70.2	151.7	161.3	30.1	-31.8	0	0	0	109.7	P206 Y207	P198-P206 HydrophobicContact CG-CG 3.42Å; P198-P206 VanDerWaalsContact CG-CG 3.42Å; P198-Y207 HydrophobicContact CG-CD2 4.3Å; P198-Y207 HydrophobicContact CG-CE2 4.18Å
199	N	77.8	Confident	88.1	Confident	147 Å²	147	57 Å²	57	79%	0.786	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.5	-160.4	176	-49.8	-35.4	0	0	0	113.4	C201	N199-C201 PolarHBondContact O-N 3.32Å
200	A	78.1	Confident	89.4	Confident	82 Å²	82	53.3 Å²	53.3	68%	0.678	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	26.6	-176.5	0	0	0	0	0	115.4	T202	A200-T202 VanDerWaalsContact C-N 3.25Å; A200-T202 HydrophobicContact CB-CG2 3.84Å; A200-T202 WeakPolarHBondContact O-CG2 3.26Å; A200-T202 PolarHBondContact O-N 3.41Å; A200-T202 VanDerWaalsContact O-N 3.15Å
201	C	88.4	Confident	90.5	Very high	5 Å²	5	50.8 Å²	50.8	3%	0.034	31%	0.308	C	S	.	.			trans	55	38.7	173.2	-161.5	0	0	0	0	113.4	P178 G179 W181 C194 C197 N199	P178-C201 CarbonylContact C-O 3.59Å; P178-C201 WeakPolarHBondContact CA-O 3.17Å; G179-C201 PolarHBondContact N-O 3.3Å; W181-C201 HydrophobicContact CH2-CB 4.34Å; W181-C201 VanDerWaalsContact CZ2-SG 3.59Å; C194-C201 VanDerWaalsContact CA-SG 3.55Å; C194-C201 HydrophobicContact CB-CB 3.57Å; C194-C201 WeakPolarHBondContact CB-SG 3.33Å; C194-C201 WeakPolarHBondContact SG-CB 3.44Å; C194-C201 CovalentContact SG-SG 2.04Å; C194-C201 PolarHBondContact SG-SG 2.86Å; C197-C201 HydrophobicContact CB-CB 4.13Å; C197-C201 PolarHBondContact SG-SG 3.47Å; N199-C201 PolarHBondContact O-N 3.32Å
202	T	86.4	Confident	91	Very high	65 Å²	65	49.1 Å²	49.1	40%	0.399	29%	0.291	S	S	.	.			trans	-87.8	161.5	-169.5	72.4	0	0	0	0	113	P178 A200 Q204 G205	P178-T202 VanDerWaalsContact CB-O 3.24Å; P178-T202 WeakPolarHBondContact CB-O 3.45Å; A200-T202 VanDerWaalsContact C-N 3.25Å; A200-T202 HydrophobicContact CB-CG2 3.84Å; A200-T202 WeakPolarHBondContact O-CG2 3.26Å; A200-T202 PolarHBondContact O-N 3.41Å; A200-T202 VanDerWaalsContact O-N 3.15Å; T202-Q204 PolarHBondContact O-N 3.32Å; T202-G205 PolarHBondContact O-N 3.47Å; T202-G205 VanDerWaalsContact O-N 3.16Å
203	H	85.1	Confident	91.3	Very high	73 Å²	73	43.3 Å²	43.3	34%	0.338	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61	-9.8	177.5	-69.2	-83.7	0	0	0	115.5	V134 G179 A208	V134-H203 PolarHBondContact O-CE1 2.88Å; V134-H203 VanDerWaalsContact O-CE1 3.25Å; G179-H203 WeakPolarHBondContact CA-CE1 3.18Å; G179-H203 WeakPolarHBondContact CA-NE2 3.2Å; H203-A208 VanDerWaalsContact O-CB 3.3Å; H203-A208 WeakPolarHBondContact O-CB 3.22Å
204	Q	86.3	Confident	91.6	Very high	188 Å²	188	42.7 Å²	42.7	88%	0.879	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112	2.8	-177.1	-63.9	175.2	1.5	0	0	112.5	T202	T202-Q204 PolarHBondContact O-N 3.32Å
205	G	88.8	Confident	91.8	Very high	18 Å²	18	46.3 Å²	46.3	19%	0.186	28%	0.278	C	S	.	.	S	Bend	trans	-64.9	162.4	-179.9	0	0	0	0	0	113.2	T202 Y207 A208	T202-G205 PolarHBondContact O-N 3.47Å; T202-G205 VanDerWaalsContact O-N 3.16Å; G205-Y207 PolarHBondContact O-N 3.23Å; G205-A208 VanDerWaalsContact O-CB 3.25Å; G205-A208 WeakPolarHBondContact O-CB 3.21Å; G205-A208 PolarHBondContact O-N 3.01Å
206	P	93.7	Very high	91.9	Very high	49 Å²	49	43.8 Å²	43.8	32%	0.318	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58	-23.6	-178.9	23.2	-34.8	0	0	0	113.8	P198 G212 R215	P198-P206 HydrophobicContact CG-CG 3.42Å; P198-P206 VanDerWaalsContact CG-CG 3.42Å; P206-G212 VanDerWaalsContact O-CA 3.29Å; P206-G212 WeakPolarHBondContact O-CA 3.32Å; P206-R215 VanDerWaalsContact C-NH2 3.31Å; P206-R215 VanDerWaalsContact CA-NH2 3.28Å; P206-R215 PolarHBondContact O-NH2 3.36Å
207	Y	95.9	Very high	92	Very high	7 Å²	7	43 Å²	43	3%	0.027	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-97.1	2.5	-179.6	-57.3	-21	0	0	0	113.8	C176 P198 G205 S209 G212 R215 C216 E219 R220	C176-Y207 HydrophobicContact CB-CD2 4.49Å; P198-Y207 HydrophobicContact CG-CD2 4.3Å; P198-Y207 HydrophobicContact CG-CE2 4.18Å; G205-Y207 PolarHBondContact O-N 3.23Å; Y207-S209 VanDerWaalsContact C-N 3.32Å; Y207-S209 PolarHBondContact O-N 3.37Å; Y207-G212 WeakPolarHBondContact CD1-O 3.45Å; Y207-R215 HydrophobicContact CD1-CG 4.46Å; Y207-R215 HydrophobicContact CE1-CB 4.41Å; Y207-R215 HydrophobicContact CE1-CG 3.93Å; Y207-C216 HydrophobicContact CD1-CB 3.89Å; Y207-C216 HydrophobicContact CD2-CB 3.58Å; Y207-C216 HydrophobicContact CE1-CB 4.22Å; Y207-C216 HydrophobicContact CE2-CB 3.89Å; Y207-C216 HydrophobicContact CG-CB 3.58Å; Y207-E219 WeakPolarHBondContact CE1-OE2 3.42Å; Y207-E219 PolarHBondContact OH-OE2 3.44Å; Y207-R220 HydrophobicContact CE2-CG 3.78Å
208	A	95	Very high	92.2	Very high	9 Å²	9	44 Å²	44	7%	0.074	26%	0.256	C	S	.	.	S	Bend	trans	-78.5	-7.7	-172.9	0	0	0	0	0	115.1	K133 P178 H203 G205	K133-A208 HydrophobicContact CB-CB 4.29Å; K133-A208 PolarHBondContact N-O 3.31Å; P178-A208 HydrophobicContact CB-CB 4.11Å; P178-A208 HydrophobicContact CG-CB 4.25Å; H203-A208 VanDerWaalsContact O-CB 3.3Å; H203-A208 WeakPolarHBondContact O-CB 3.22Å; G205-A208 VanDerWaalsContact O-CB 3.25Å; G205-A208 WeakPolarHBondContact O-CB 3.21Å; G205-A208 PolarHBondContact O-N 3.01Å
209	S	95.7	Very high	92.6	Very high	63 Å²	63	47.7 Å²	47.7	44%	0.441	27%	0.271	S	S	.	.	S	Bend	trans	-102.9	167.4	177	70.5	0	0	0	0	112.1	Y207 A211 G212 A213	Y207-S209 VanDerWaalsContact C-N 3.32Å; Y207-S209 PolarHBondContact O-N 3.37Å; S209-A211 PolarHBondContact O-N 3.33Å; S209-G212 CarbonylContact O-C 3.57Å; S209-G212 WeakPolarHBondContact O-CA 3.36Å; S209-G212 PolarHBondContact O-N 2.53Å; S209-G212 PolarHBondContact OG-N 2.84Å; S209-A213 PolarHBondContact O-N 3.15Å
210	A	97.1	Very high	93.5	Very high	16 Å²	16	45.5 Å²	45.5	13%	0.132	25%	0.252	C	S	.	.	H	α-helix	trans	-57	-46.4	175.1	0	0	0	0	0	112.4	G212 A213 L214 T227 A231	A210-G212 VanDerWaalsContact C-N 3.31Å; A210-G212 PolarHBondContact O-N 2.74Å; A210-A213 PolarHBondContact O-N 2.92Å; A210-L214 PolarHBondContact O-N 2.02Å; A210-T227 PolarHBondContact O-OG1 3.12Å; A210-T227 VanDerWaalsContact O-OG1 3.08Å; A210-A231 HydrophobicContact CB-CB 3.59Å
211	A	97.5	Very high	94.4	Very high	41 Å²	41	50.6 Å²	50.6	34%	0.339	25%	0.254	S	S	.	.	H	α-helix	trans	-65.9	-34.6	172.3	0	0	0	0	0	112.2	S209 A213 L214 R215 A231 Y235	S209-A211 PolarHBondContact O-N 3.33Å; A211-A213 VanDerWaalsContact C-N 3.31Å; A211-A213 PolarHBondContact O-N 3.49Å; A211-L214 WeakPolarHBondContact O-CB 3.41Å; A211-L214 PolarHBondContact O-N 3.31Å; A211-R215 PolarHBondContact O-N 2.95Å; A211-A231 HydrophobicContact CB-CB 4.37Å; A211-Y235 HydrophobicContact CB-CD2 4.4Å
212	G	96.6	Very high	94.8	Very high	2 Å²	2	50.4 Å²	50.4	2%	0.021	25%	0.252	C	S	.	.	H	α-helix	trans	-61.8	-35.6	174.6	0	0	0	0	0	113.5	P206 Y207 S209 A210 R215 C216	P206-G212 VanDerWaalsContact O-CA 3.29Å; P206-G212 WeakPolarHBondContact O-CA 3.32Å; Y207-G212 WeakPolarHBondContact CD1-O 3.45Å; S209-G212 CarbonylContact O-C 3.57Å; S209-G212 WeakPolarHBondContact O-CA 3.36Å; S209-G212 PolarHBondContact O-N 2.53Å; S209-G212 PolarHBondContact OG-N 2.84Å; A210-G212 VanDerWaalsContact C-N 3.31Å; A210-G212 PolarHBondContact O-N 2.74Å; G212-R215 PolarHBondContact O-N 2.95Å; G212-C216 WeakPolarHBondContact O-CB 3.42Å; G212-C216 PolarHBondContact O-N 2.81Å
213	A	98.1	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-66	-38.5	174.9	0	0	0	0	0	111.9	C130 P132 S209 A210 A211 C216 L217 A225 V226	C130-A213 HydrophobicContact CB-CB 4.48Å; C130-A213 WeakPolarHBondContact CB-O 3.28Å; P132-A213 HydrophobicContact CG-CB 3.94Å; S209-A213 PolarHBondContact O-N 3.15Å; A210-A213 PolarHBondContact O-N 2.92Å; A211-A213 VanDerWaalsContact C-N 3.31Å; A211-A213 PolarHBondContact O-N 3.49Å; A213-C216 WeakPolarHBondContact O-CB 3.47Å; A213-C216 PolarHBondContact O-N 2.92Å; A213-L217 PolarHBondContact O-N 3.42Å; A213-A225 HydrophobicContact CB-CB 4.34Å; A213-A225 WeakPolarHBondContact O-CB 3.37Å; A213-V226 WeakPolarHBondContact CB-O 3.42Å
214	L	98.4	Very high	96	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	22%	0.221	C	C	.	.	H	α-helix	trans	-65.3	-41.2	172.5	-63.6	175.2	0	0	0	111.8	V110 A210 A211 C216 L217 I218 A225 T227 L232 Y235 L242	V110-L214 HydrophobicContact CB-CD2 4.22Å; V110-L214 HydrophobicContact CG2-CD2 3.81Å; A210-L214 PolarHBondContact O-N 2.02Å; A211-L214 WeakPolarHBondContact O-CB 3.41Å; A211-L214 PolarHBondContact O-N 3.31Å; L214-C216 PolarHBondContact O-N 2.99Å; L214-L217 WeakPolarHBondContact O-CB 2.94Å; L214-L217 PolarHBondContact O-N 3.17Å; L214-I218 PolarHBondContact O-N 2.83Å; L214-A225 HydrophobicContact CD2-CB 4.42Å; L214-T227 HydrophobicContact CD1-CG2 4.26Å; L214-T227 HydrophobicContact CD2-CG2 3.92Å; L214-T227 HydrophobicContact CG-CG2 4.28Å; L214-L232 HydrophobicContact CD1-CD1 4.26Å; L214-Y235 HydrophobicContact CB-CD2 3.86Å; L214-Y235 HydrophobicContact CB-CE1 4.41Å; L214-Y235 HydrophobicContact CB-CE2 3.7Å; L214-Y235 HydrophobicContact CB-CG 4.28Å; L214-Y235 HydrophobicContact CD1-CD2 3.69Å; L214-Y235 HydrophobicContact CD1-CE2 4.4Å; L214-Y235 HydrophobicContact CD1-CG 3.79Å; L214-Y235 HydrophobicContact CG-CD2 4.43Å; L214-L242 HydrophobicContact CD1-CD1 4.1Å; L214-L242 HydrophobicContact CD2-CD1 4.14Å
215	R	97	Very high	96.6	Very high	91 Å²	91	35.6 Å²	35.6	34%	0.343	18%	0.179	S	C	.	.	H	α-helix	trans	-60.3	-45.7	173.2	-178.3	171.1	52.7	178.8	-11.8	112	P206 Y207 A211 G212 L217 I218 E219 Y235	P206-R215 VanDerWaalsContact C-NH2 3.31Å; P206-R215 VanDerWaalsContact CA-NH2 3.28Å; P206-R215 PolarHBondContact O-NH2 3.36Å; Y207-R215 HydrophobicContact CD1-CG 4.46Å; Y207-R215 HydrophobicContact CE1-CB 4.41Å; Y207-R215 HydrophobicContact CE1-CG 3.93Å; A211-R215 PolarHBondContact O-N 2.95Å; G212-R215 PolarHBondContact O-N 2.95Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-L217 PolarHBondContact O-N 2.96Å; R215-I218 PolarHBondContact O-N 2.82Å; R215-E219 WeakPolarHBondContact CD-OE1 3.26Å; R215-E219 HydrophobicContact CG-CG 3.99Å; R215-E219 WeakPolarHBondContact CG-OE1 3.29Å; R215-E219 WeakPolarHBondContact O-CB 3.25Å; R215-E219 WeakPolarHBondContact O-CG 3.26Å; R215-E219 PolarHBondContact O-N 2.82Å; R215-Y235 VanDerWaalsContact CA-OH 3.28Å; R215-Y235 WeakPolarHBondContact CA-OH 3.49Å; R215-Y235 PolarHBondContact N-OH 3.09Å
216	C	97.7	Very high	97	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.007	17%	0.17	C	C	.	.	H	α-helix	trans	-56.4	-44	173.8	172.3	0	0	0	0	112	C130 Y207 G212 A213 L214 I218 R220	C130-C216 HydrophobicContact CB-CB 3.56Å; C130-C216 WeakPolarHBondContact CB-SG 3.19Å; C130-C216 WeakPolarHBondContact SG-CB 3.39Å; C130-C216 CovalentContact SG-SG 2.04Å; C130-C216 PolarHBondContact SG-SG 2.99Å; Y207-C216 HydrophobicContact CD1-CB 3.89Å; Y207-C216 HydrophobicContact CD2-CB 3.58Å; Y207-C216 HydrophobicContact CE1-CB 4.22Å; Y207-C216 HydrophobicContact CE2-CB 3.89Å; Y207-C216 HydrophobicContact CG-CB 3.58Å; G212-C216 WeakPolarHBondContact O-CB 3.42Å; G212-C216 PolarHBondContact O-N 2.81Å; A213-C216 WeakPolarHBondContact O-CB 3.47Å; A213-C216 PolarHBondContact O-N 2.92Å; L214-C216 PolarHBondContact O-N 2.99Å; C216-I218 PolarHBondContact O-N 2.83Å; C216-R220 VanDerWaalsContact O-CB 3.29Å; C216-R220 WeakPolarHBondContact O-CB 2.89Å; C216-R220 PolarHBondContact O-N 2.93Å
217	L	98.2	Very high	97.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-54.9	-42.6	178.7	-177.2	61.4	0	0	0	112	V110 R112 C130 A213 L214 R215 R221 A222 A225 L242 Y247	V110-L217 HydrophobicContact CB-CD2 4.13Å; V110-L217 HydrophobicContact CG1-CD2 3.72Å; R112-L217 PolarHBondContact NH2-O 2.82Å; C130-L217 PolarHBondContact SG-N 2.66Å; A213-L217 PolarHBondContact O-N 3.42Å; L214-L217 WeakPolarHBondContact O-CB 2.94Å; L214-L217 PolarHBondContact O-N 3.17Å; R215-L217 VanDerWaalsContact C-N 3.32Å; R215-L217 PolarHBondContact O-N 2.96Å; L217-R221 CarbonylContact O-C 3.47Å; L217-R221 WeakPolarHBondContact O-CA 3.27Å; L217-R221 PolarHBondContact O-N 2.76Å; L217-A222 HydrophobicContact CD1-CB 4.16Å; L217-A222 WeakPolarHBondContact CD1-O 3.46Å; L217-A222 PolarHBondContact O-N 2.73Å; L217-A225 HydrophobicContact CB-CB 3.91Å; L217-A225 HydrophobicContact CD1-CB 4.45Å; L217-A225 HydrophobicContact CD2-CB 4.03Å; L217-A225 HydrophobicContact CG-CB 4.35Å; L217-L242 HydrophobicContact CD2-CD2 4.49Å; L217-Y247 HydrophobicContact CD1-CE1 4.42Å; L217-Y247 HydrophobicContact CD2-CD1 3.77Å; L217-Y247 HydrophobicContact CD2-CE1 3.81Å; L217-Y247 HydrophobicContact CG-CD1 4.26Å; L217-Y247 HydrophobicContact CG-CE1 3.8Å
218	I	97.1	Very high	97.2	Very high	34 Å²	34	32.8 Å²	32.8	17%	0.174	16%	0.159	C	C	.	.	H	α-helix	trans	-78.3	-58.7	-177.8	-62.1	165.2	0	0	0	110.4	L214 R215 C216 R220 R221 Y235 L242 Y247	L214-I218 PolarHBondContact O-N 2.83Å; R215-I218 PolarHBondContact O-N 2.82Å; C216-I218 PolarHBondContact O-N 2.83Å; I218-R220 PolarHBondContact O-N 2.73Å; I218-R221 PolarHBondContact O-N 3.27Å; I218-R221 VanDerWaalsContact O-N 3.14Å; I218-Y235 HydrophobicContact CD1-CE1 3.62Å; I218-L242 HydrophobicContact CD1-CD2 4.12Å; I218-L242 HydrophobicContact CD1-CG 4.35Å; I218-L242 HydrophobicContact CG1-CD2 4.42Å; I218-Y247 HydrophobicContact CG1-CE2 4.29Å
219	E	96	Very high	97.2	Very high	111 Å²	111	33.3 Å²	33.3	52%	0.519	16%	0.163	S	C	.	.	H	α-helix	trans	-66.7	-38.5	-171.4	-70.4	179.9	179.9	0	0	113	Y207 R215 R221	Y207-E219 WeakPolarHBondContact CE1-OE2 3.42Å; Y207-E219 PolarHBondContact OH-OE2 3.44Å; R215-E219 WeakPolarHBondContact CD-OE1 3.26Å; R215-E219 HydrophobicContact CG-CG 3.99Å; R215-E219 WeakPolarHBondContact CG-OE1 3.29Å; R215-E219 WeakPolarHBondContact O-CB 3.25Å; R215-E219 WeakPolarHBondContact O-CG 3.26Å; R215-E219 PolarHBondContact O-N 2.82Å; E219-R221 VanDerWaalsContact C-N 3.27Å
220	R	96.5	Very high	97.1	Very high	101 Å²	101	34.9 Å²	34.9	38%	0.381	17%	0.167	S	C	.	.	T	Hydrogen-bonded Turn	trans	-91.4	6.1	178.2	-56.2	-55.6	-159.6	-157.4	1.2	112.7	R128 L196 Y207 C216 I218 A222	R128-R220 PolarHBondContact NH1-O 3.03Å; L196-R220 HydrophobicContact CB-CB 4.24Å; L196-R220 HydrophobicContact CB-CG 4.18Å; L196-R220 HydrophobicContact CD1-CB 4.42Å; L196-R220 HydrophobicContact CD2-CB 4.37Å; L196-R220 WeakPolarHBondContact O-CG 3.45Å; L196-R220 PolarHBondContact O-NE 2.9Å; Y207-R220 HydrophobicContact CE2-CG 3.78Å; C216-R220 VanDerWaalsContact O-CB 3.29Å; C216-R220 WeakPolarHBondContact O-CB 2.89Å; C216-R220 PolarHBondContact O-N 2.93Å; I218-R220 PolarHBondContact O-N 2.73Å; R220-A222 PolarHBondContact O-N 3.46Å; R220-A222 VanDerWaalsContact O-N 3.11Å
221	R	95.8	Very high	97	Very high	189 Å²	189	34.8 Å²	34.8	71%	0.713	17%	0.165	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.8	35.6	-175.8	-57.8	-179.3	178.6	-177.2	-0.1	112	R128 L217 I218 E219	R128-R221 PolarHBondContact NH1-O 3.33Å; R128-R221 PolarHBondContact NH2-O 3.32Å; L217-R221 CarbonylContact O-C 3.47Å; L217-R221 WeakPolarHBondContact O-CA 3.27Å; L217-R221 PolarHBondContact O-N 2.76Å; I218-R221 PolarHBondContact O-N 3.27Å; I218-R221 VanDerWaalsContact O-N 3.14Å; E219-R221 VanDerWaalsContact C-N 3.27Å
222	A	98.1	Very high	96.9	Very high	0 Å²	0	33.5 Å²	33.5	0%	0	15%	0.153	C	C	.	.			trans	-66.9	177	-175.2	0	0	0	0	0	111.6	R112 R128 C130 L196 L217 R220	R112-A222 PolarHBondContact NE-O 2.8Å; R112-A222 PolarHBondContact NH2-O 2.73Å; R128-A222 HydrophobicContact CB-CB 4.15Å; C130-A222 WeakPolarHBondContact SG-CB 3.32Å; L196-A222 HydrophobicContact CD1-CB 3.98Å; L217-A222 HydrophobicContact CD1-CB 4.16Å; L217-A222 WeakPolarHBondContact CD1-O 3.46Å; L217-A222 PolarHBondContact O-N 2.73Å; R220-A222 PolarHBondContact O-N 3.46Å; R220-A222 VanDerWaalsContact O-N 3.11Å
223	D	98.3	Very high	96.8	Very high	15 Å²	15	37.7 Å²	37.7	8%	0.08	18%	0.182	C	C	.	.	S	Bend	trans	-98.2	-31.6	-175.9	-57.1	-51.6	0	0	0	112.2	I111 R112 S115 K127 R128	I111-D223 WeakPolarHBondContact CA-O 3.42Å; R112-D223 PolarHBondContact N-O 3.14Å; S115-D223 PolarHBondContact OG-OD1 2.74Å; K127-D223 HydrophobicContact CB-CB 4.03Å; K127-D223 HydrophobicContact CD-CB 4.11Å; K127-D223 HydrophobicContact CG-CB 4.46Å; R128-D223 HydrophobicContact CB-CB 4.46Å; R128-D223 VanDerWaalsContact CB-OD2 3.26Å; R128-D223 WeakPolarHBondContact CB-OD2 3.31Å; R128-D223 WeakPolarHBondContact CG-OD2 3.41Å; R128-D223 IonicContact CZ-OD1 2.96Å; R128-D223 IonicContact CZ-OD2 3.72Å; R128-D223 PolarHBondContact N-OD2 2.99Å; R128-D223 IonicContact NE-OD1 3.88Å; R128-D223 IonicContact NE-OD2 3.65Å; R128-D223 PolarHBondContact NE-OD2 2.84Å; R128-D223 VanDerWaalsContact NE-OD2 3.12Å; R128-D223 IonicContact NH2-OD1 3.8Å; R128-D223 PolarHBondContact NH2-OD1 2.89Å; R128-D223 IonicContact NH2-OD2 3.12Å; R128-D223 PolarHBondContact O-N 2.99Å
224	V	98.4	Very high	96.5	Very high	1 Å²	1	44.3 Å²	44.3	1%	0.006	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143	139.2	-171.8	-172.1	0	0	0	0	110.2	V109 V110 I111 F116 L124 K127 R128 L129 C130	V109-V224 HydrophobicContact CG1-CG1 3.53Å; V110-V224 CarbonylContact O-C 3.58Å; V110-V224 WeakPolarHBondContact O-CA 3.42Å; I111-V224 HydrophobicContact CG2-CG1 4.3Å; I111-V224 HydrophobicContact CG2-CG2 4.22Å; F116-V224 HydrophobicContact CE2-CG2 3.89Å; F116-V224 HydrophobicContact CZ-CG2 3.61Å; L124-V224 HydrophobicContact CD2-CB 4.41Å; L124-V224 HydrophobicContact CD2-CG1 3.95Å; L124-V224 HydrophobicContact CD2-CG2 3.64Å; K127-V224 HydrophobicContact CB-CG2 3.95Å; K127-V224 HydrophobicContact CG-CG2 4.4Å; R128-V224 PolarHBondContact O-N 3.38Å; R128-V224 VanDerWaalsContact O-N 3.09Å; L129-V224 CarbonylContact C-O 3.6Å; L129-V224 HydrophobicContact CD1-CB 4.29Å; L129-V224 HydrophobicContact CD1-CG1 4.11Å; C130-V224 PolarHBondContact N-O 2.69Å
225	A	98.4	Very high	96.4	Very high	0 Å²	0	46.5 Å²	46.5	0%	0	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	143.7	162.8	0	0	0	0	0	111.5	V109 V110 C130 A213 L214 L217	V109-A225 CarbonylContact C-O 3.6Å; V109-A225 WeakPolarHBondContact CA-O 3.36Å; V110-A225 PolarHBondContact N-O 3.23Å; V110-A225 PolarHBondContact O-N 3.33Å; C130-A225 HydrophobicContact CB-CB 3.99Å; C130-A225 VanDerWaalsContact O-CA 3.24Å; C130-A225 WeakPolarHBondContact O-CA 3.37Å; A213-A225 HydrophobicContact CB-CB 4.34Å; A213-A225 WeakPolarHBondContact O-CB 3.37Å; L214-A225 HydrophobicContact CD2-CB 4.42Å; L217-A225 HydrophobicContact CB-CB 3.91Å; L217-A225 HydrophobicContact CD1-CB 4.45Å; L217-A225 HydrophobicContact CD2-CB 4.03Å; L217-A225 HydrophobicContact CG-CB 4.35Å
226	V	98.3	Very high	96.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	127.6	168.5	-163.6	0	0	0	0	108.4	L108 V109 L129 C130 L131 P132 Q140 L144 A213	L108-V226 WeakPolarHBondContact O-CA 3.14Å; L108-V226 WeakPolarHBondContact O-CG1 3.38Å; V109-V226 HydrophobicContact CG2-CG1 4.35Å; V109-V226 HydrophobicContact CG2-CG2 4.33Å; L129-V226 HydrophobicContact CD1-CG2 4.04Å; C130-V226 PolarHBondContact O-N 3.01Å; C130-V226 VanDerWaalsContact O-N 3.14Å; L131-V226 HydrophobicContact CD1-CB 3.88Å; L131-V226 HydrophobicContact CD1-CG2 3.85Å; P132-V226 VanDerWaalsContact CD-O 3.24Å; P132-V226 WeakPolarHBondContact CD-O 3.41Å; P132-V226 WeakPolarHBondContact CG-O 2.99Å; Q140-V226 HydrophobicContact CB-CB 4.05Å; Q140-V226 HydrophobicContact CB-CG1 3.6Å; Q140-V226 HydrophobicContact CG-CG1 4.03Å; L144-V226 HydrophobicContact CD1-CG2 3.89Å; L144-V226 HydrophobicContact CD2-CG2 3.87Å; L144-V226 HydrophobicContact CG-CG2 3.91Å; A213-V226 WeakPolarHBondContact CB-O 3.42Å
227	T	97.8	Very high	95.9	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136	-179.3	-175.6	-166.2	0	0	0	0	110.7	S107 L108 V110 Q140 A210 L214 L232	S107-T227 CarbonylContact C-O 3.58Å; S107-T227 VanDerWaalsContact CA-O 3.29Å; S107-T227 WeakPolarHBondContact CA-O 3.02Å; L108-T227 HydrophobicContact CB-CG2 4.23Å; L108-T227 PolarHBondContact N-O 3.28Å; L108-T227 PolarHBondContact O-N 3.48Å; V110-T227 HydrophobicContact CG2-CG2 3.95Å; Q140-T227 WeakPolarHBondContact CG-O 3.44Å; A210-T227 PolarHBondContact O-OG1 3.12Å; A210-T227 VanDerWaalsContact O-OG1 3.08Å; L214-T227 HydrophobicContact CD1-CG2 4.26Å; L214-T227 HydrophobicContact CD2-CG2 3.92Å; L214-T227 HydrophobicContact CG-CG2 4.28Å; T227-L232 HydrophobicContact CG2-CB 4.13Å
228	S	96.1	Very high	95.5	Very high	15 Å²	15	53 Å²	53	11%	0.105	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	154.2	169.5	69	0	0	0	0	111.6	E106 N230 A231 L232	E106-S228 CarbonylContact O-C 3.5Å; E106-S228 WeakPolarHBondContact O-CA 3.26Å; S228-N230 PolarHBondContact O-N 2.95Å; S228-A231 PolarHBondContact O-N 3.5Å; S228-A231 VanDerWaalsContact O-N 3.14Å; S228-A231 VanDerWaalsContact OG-CB 3.32Å; S228-A231 WeakPolarHBondContact OG-CB 3.33Å; S228-A231 PolarHBondContact OG-N 3.49Å; S228-A231 VanDerWaalsContact OG-N 3.14Å; S228-L232 PolarHBondContact O-N 3.15Å
229	A	94.4	Very high	94.8	Very high	20 Å²	20	62.6 Å²	62.6	17%	0.165	31%	0.313	C	S	.	.	H	α-helix	trans	-53.8	-42.8	173.9	0	0	0	0	0	112.3	E106 L108 L232 S233	E106-A229 HydrophobicContact CB-CB 4.06Å; E106-A229 PolarHBondContact O-N 3.39Å; L108-A229 HydrophobicContact CD1-CB 3.95Å; A229-L232 PolarHBondContact O-N 2.92Å; A229-S233 PolarHBondContact O-N 2.94Å; A229-S233 PolarHBondContact O-OG 3.3Å
230	N	92.6	Very high	94.4	Very high	96 Å²	96	64.2 Å²	64.2	51%	0.513	33%	0.326	S	S	.	.	H	α-helix	trans	-64.9	-40.7	177.4	-175.1	54.1	0	0	0	113	S228 S233 Q234	S228-N230 PolarHBondContact O-N 2.95Å; N230-S233 PolarHBondContact O-OG 3.17Å; N230-S233 VanDerWaalsContact O-OG 3.1Å; N230-Q234 PolarHBondContact ND2-NE2 2.83Å; N230-Q234 VanDerWaalsContact O-CG 3.3Å; N230-Q234 WeakPolarHBondContact O-CG 3.16Å; N230-Q234 PolarHBondContact O-N 2.76Å; N230-Q234 PolarHBondContact OD1-NE2 3.45Å
231	A	95.8	Very high	94.2	Very high	13 Å²	13	59.8 Å²	59.8	11%	0.107	31%	0.311	C	S	.	.	H	α-helix	trans	-69.3	-36.6	177.1	0	0	0	0	0	111.6	A210 A211 S228 Y235	A210-A231 HydrophobicContact CB-CB 3.59Å; A211-A231 HydrophobicContact CB-CB 4.37Å; S228-A231 PolarHBondContact O-N 3.5Å; S228-A231 VanDerWaalsContact O-N 3.14Å; S228-A231 VanDerWaalsContact OG-CB 3.32Å; S228-A231 WeakPolarHBondContact OG-CB 3.33Å; S228-A231 PolarHBondContact OG-N 3.49Å; S228-A231 VanDerWaalsContact OG-N 3.14Å; A231-Y235 WeakPolarHBondContact O-CB 3.13Å; A231-Y235 PolarHBondContact O-N 3.31Å
232	L	95.9	Very high	94.2	Very high	15 Å²	15	50.9 Å²	50.9	8%	0.079	28%	0.278	C	S	.	.	H	α-helix	trans	-65.8	-47.3	177.4	-176.5	63.3	0	0	0	111.7	L108 V110 L214 T227 S228 A229 Q234 Y235 L242 L249 L259	L108-L232 HydrophobicContact CD1-CB 4.36Å; L108-L232 HydrophobicContact CD1-CD2 3.58Å; V110-L232 HydrophobicContact CG2-CD1 4.09Å; L214-L232 HydrophobicContact CD1-CD1 4.26Å; T227-L232 HydrophobicContact CG2-CB 4.13Å; S228-L232 PolarHBondContact O-N 3.15Å; A229-L232 PolarHBondContact O-N 2.92Å; L232-Q234 PolarHBondContact O-N 3.42Å; L232-Y235 PolarHBondContact O-N 2.91Å; L232-Y235 VanDerWaalsContact O-N 3.12Å; L232-L242 HydrophobicContact CD1-CD1 3.44Å; L232-L242 VanDerWaalsContact CD1-CD1 3.44Å; L232-L249 HydrophobicContact CD2-CD2 3.87Å; L232-L259 WeakPolarHBondContact CD2-O 3.33Å
233	S	92.9	Very high	94	Very high	90 Å²	90	52 Å²	52	63%	0.629	29%	0.286	S	S	*	.	H	α-helix	trans	-65.4	-24.9	-177.7	64.9	0	0	0	0	113.7	A229 N230	A229-S233 PolarHBondContact O-N 2.94Å; A229-S233 PolarHBondContact O-OG 3.3Å; N230-S233 PolarHBondContact O-OG 3.17Å; N230-S233 VanDerWaalsContact O-OG 3.1Å
234	Q	93.6	Very high	93.7	Very high	139 Å²	139	54.3 Å²	54.3	65%	0.65	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-5.2	178.3	-62.2	-179	20.2	0	0	112.9	N230 L232	N230-Q234 PolarHBondContact ND2-NE2 2.83Å; N230-Q234 VanDerWaalsContact O-CG 3.3Å; N230-Q234 WeakPolarHBondContact O-CG 3.16Å; N230-Q234 PolarHBondContact O-N 2.76Å; N230-Q234 PolarHBondContact OD1-NE2 3.45Å; L232-Q234 PolarHBondContact O-N 3.42Å
235	Y	95.9	Very high	93.4	Very high	45 Å²	45	58.6 Å²	58.6	18%	0.176	33%	0.332	C	S	.	.	S	Bend	trans	-80	136.4	-175.2	-154.5	-89.8	0	0	0	111.1	A211 L214 R215 I218 A231 L232 T237 L242	A211-Y235 HydrophobicContact CB-CD2 4.4Å; L214-Y235 HydrophobicContact CB-CD2 3.86Å; L214-Y235 HydrophobicContact CB-CE1 4.41Å; L214-Y235 HydrophobicContact CB-CE2 3.7Å; L214-Y235 HydrophobicContact CB-CG 4.28Å; L214-Y235 HydrophobicContact CD1-CD2 3.69Å; L214-Y235 HydrophobicContact CD1-CE2 4.4Å; L214-Y235 HydrophobicContact CD1-CG 3.79Å; L214-Y235 HydrophobicContact CG-CD2 4.43Å; R215-Y235 VanDerWaalsContact CA-OH 3.28Å; R215-Y235 WeakPolarHBondContact CA-OH 3.49Å; R215-Y235 PolarHBondContact N-OH 3.09Å; I218-Y235 HydrophobicContact CD1-CE1 3.62Å; A231-Y235 WeakPolarHBondContact O-CB 3.13Å; A231-Y235 PolarHBondContact O-N 3.31Å; L232-Y235 PolarHBondContact O-N 2.91Å; L232-Y235 VanDerWaalsContact O-N 3.12Å; Y235-T237 PolarHBondContact O-N 3.45Å; Y235-L242 HydrophobicContact CD1-CD1 3.83Å; Y235-L242 HydrophobicContact CD1-CG 3.76Å; Y235-L242 HydrophobicContact CE1-CG 4.23Å; Y235-L242 HydrophobicContact CG-CD1 4.19Å
236	P	93.8	Very high	93.3	Very high	89 Å²	89	63.9 Å²	63.9	58%	0.578	36%	0.355	S	S	*	.	P	Polyproline II helix	trans	-59.5	135.6	179.6	-24.8	33.9	0	0	0	113.3	G241 L242	P236-G241 VanDerWaalsContact O-CA 3.3Å; P236-G241 WeakPolarHBondContact O-CA 2.99Å; P236-L242 PolarHBondContact O-N 3.27Å
237	T	90.8	Very high	93.2	Very high	109 Å²	109	64.4 Å²	64.4	67%	0.669	36%	0.356	S	S	*	.	B	Isolated β-bridge	trans	-96.5	159.6	172.4	58.6	0	0	0	0	111.1	Y235 L242	Y235-T237 PolarHBondContact O-N 3.45Å; T237-L242 VanDerWaalsContact CA-O 3.31Å; T237-L242 WeakPolarHBondContact CA-O 3.11Å; T237-L242 WeakPolarHBondContact CB-O 3.5Å
238	G	88.2	Confident	93.1	Very high	31 Å²	31	66 Å²	66	32%	0.32	36%	0.363	S	S	.	.	S	Bend	trans	112.6	-162	176	0	0	0	0	0	115	N240 G241 L242	G238-N240 VanDerWaalsContact C-N 3.35Å; G238-N240 PolarHBondContact O-N 2.8Å; G238-G241 CarbonylContact O-C 3.5Å; G238-G241 PolarHBondContact O-N 3.49Å; G238-L242 PolarHBondContact N-O 3.17Å
239	R	82.4	Confident	93.2	Very high	236 Å²	236	65.3 Å²	65.3	89%	0.891	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	-40.6	-166.2	-173.5	177.5	179.1	178.5	0.6	114.2
240	N	87.6	Confident	93.3	Very high	145 Å²	145	64.4 Å²	64.4	78%	0.775	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.2	1.9	179.1	-63.7	-19.5	0	0	0	112.7	G238	G238-N240 VanDerWaalsContact C-N 3.35Å; G238-N240 PolarHBondContact O-N 2.8Å
241	G	94	Very high	93.5	Very high	8 Å²	8	60 Å²	60	8%	0.082	33%	0.327	C	S	.	.	S	Bend	trans	-117.5	-152.2	-176.5	0	0	0	0	0	112.4	P236 G238 S243	P236-G241 VanDerWaalsContact O-CA 3.3Å; P236-G241 WeakPolarHBondContact O-CA 2.99Å; G238-G241 CarbonylContact O-C 3.5Å; G238-G241 PolarHBondContact O-N 3.49Å; G241-S243 PolarHBondContact O-N 2.9Å
242	L	94.3	Very high	93.2	Very high	2 Å²	2	62.5 Å²	62.5	1%	0.01	34%	0.339	C	S	.	.	B	Isolated β-bridge	trans	-80.4	100.5	171.4	-68	174.8	0	0	0	109.4	V110 L214 L217 I218 L232 Y235 P236 T237 G238 Y247 L259	V110-L242 HydrophobicContact CG1-CD2 4.42Å; L214-L242 HydrophobicContact CD1-CD1 4.1Å; L214-L242 HydrophobicContact CD2-CD1 4.14Å; L217-L242 HydrophobicContact CD2-CD2 4.49Å; I218-L242 HydrophobicContact CD1-CD2 4.12Å; I218-L242 HydrophobicContact CD1-CG 4.35Å; I218-L242 HydrophobicContact CG1-CD2 4.42Å; L232-L242 HydrophobicContact CD1-CD1 3.44Å; L232-L242 VanDerWaalsContact CD1-CD1 3.44Å; Y235-L242 HydrophobicContact CD1-CD1 3.83Å; Y235-L242 HydrophobicContact CD1-CG 3.76Å; Y235-L242 HydrophobicContact CE1-CG 4.23Å; Y235-L242 HydrophobicContact CG-CD1 4.19Å; P236-L242 PolarHBondContact O-N 3.27Å; T237-L242 VanDerWaalsContact CA-O 3.31Å; T237-L242 WeakPolarHBondContact CA-O 3.11Å; T237-L242 WeakPolarHBondContact CB-O 3.5Å; G238-L242 PolarHBondContact N-O 3.17Å; L242-Y247 HydrophobicContact CD2-CD2 3.82Å; L242-Y247 HydrophobicContact CD2-CE2 4.21Å; L242-Y247 HydrophobicContact CD2-CG 4.02Å; L242-L259 HydrophobicContact CB-CD1 3.9Å
243	S	94.8	Very high	92.8	Very high	23 Å²	23	69.8 Å²	69.8	16%	0.161	37%	0.373	C	S	.	.			trans	-86.7	123.6	172.7	-176.8	0	0	0	0	110	G241 S245 K246 Y247	G241-S243 PolarHBondContact O-N 2.9Å; S243-S245 PolarHBondContact O-N 3.26Å; S243-S245 PolarHBondContact OG-OG 2.8Å; S243-K246 PolarHBondContact O-N 3.45Å; S243-Y247 PolarHBondContact O-N 3.33Å; S243-Y247 VanDerWaalsContact O-N 3.1Å
244	P	91.8	Very high	92.5	Very high	64 Å²	64	66.9 Å²	66.9	42%	0.416	36%	0.356	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-30.6	-180	-27.8	35.6	0	0	0	114.1	K246	P244-K246 PolarHBondContact O-N 3.26Å
245	S	92	Very high	92.5	Very high	91 Å²	91	62 Å²	62	64%	0.636	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.5	-6.3	176.5	61.7	0	0	0	0	114.9	S243	S243-S245 PolarHBondContact O-N 3.26Å; S243-S245 PolarHBondContact OG-OG 2.8Å
246	K	95.8	Very high	92.4	Very high	111 Å²	111	61.7 Å²	61.7	48%	0.483	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.8	-24.5	-179.2	-66.7	-176.5	-178.9	176.8	0	113.2	R112 E113 S243 P244	R112-K246 WeakPolarHBondContact CA-O 3.19Å; E113-K246 PolarHBondContact N-O 2.89Å; S243-K246 PolarHBondContact O-N 3.45Å; P244-K246 PolarHBondContact O-N 3.26Å
247	Y	97.1	Very high	92.5	Very high	10 Å²	10	58 Å²	58	4%	0.039	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	135.4	-171.4	-58.1	-71.8	0	0	0	110.8	I111 R112 L217 I218 L242 S243	I111-Y247 VanDerWaalsContact O-CA 3.22Å; I111-Y247 WeakPolarHBondContact O-CA 3.48Å; R112-Y247 HydrophobicContact CB-CD1 4.34Å; R112-Y247 HydrophobicContact CB-CE1 4.23Å; R112-Y247 PolarHBondContact NH1-OH 3.34Å; R112-Y247 PolarHBondContact NH2-OH 3.05Å; L217-Y247 HydrophobicContact CD1-CE1 4.42Å; L217-Y247 HydrophobicContact CD2-CD1 3.77Å; L217-Y247 HydrophobicContact CD2-CE1 3.81Å; L217-Y247 HydrophobicContact CG-CD1 4.26Å; L217-Y247 HydrophobicContact CG-CE1 3.8Å; I218-Y247 HydrophobicContact CG1-CE2 4.29Å; L242-Y247 HydrophobicContact CD2-CD2 3.82Å; L242-Y247 HydrophobicContact CD2-CE2 4.21Å; L242-Y247 HydrophobicContact CD2-CG 4.02Å; S243-Y247 PolarHBondContact O-N 3.33Å; S243-Y247 VanDerWaalsContact O-N 3.1Å
248	K	96.6	Very high	92.7	Very high	34 Å²	34	55.7 Å²	55.7	15%	0.148	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	164.1	177.9	-68.5	-167.8	170.2	172.8	0	110.6	V110 I111 E113 E258	V110-K248 WeakPolarHBondContact CA-O 3.37Å; I111-K248 HydrophobicContact CG1-CB 4.39Å; I111-K248 VanDerWaalsContact CG1-O 3.28Å; I111-K248 WeakPolarHBondContact CG1-O 3.34Å; I111-K248 PolarHBondContact N-O 3.02Å; I111-K248 PolarHBondContact O-N 3.42Å; I111-K248 VanDerWaalsContact O-N 3.07Å; E113-K248 VanDerWaalsContact CD-CE 3.41Å; E113-K248 HydrophobicContact CG-CD 4.21Å; E113-K248 WeakPolarHBondContact OE1-CD 3.44Å; E113-K248 WeakPolarHBondContact OE1-CE 3.33Å; E113-K248 IonicContact OE1-NZ 3.76Å; E113-K248 PolarHBondContact OE1-NZ 3.32Å; E113-K248 VanDerWaalsContact OE2-CE 3.31Å; E113-K248 WeakPolarHBondContact OE2-CE 3.46Å; E113-K248 IonicContact OE2-NZ 2.71Å; K248-E258 WeakPolarHBondContact CE-OE1 3.47Å; K248-E258 IonicContact NZ-OE1 3.07Å
249	L	97.6	Very high	93	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.005	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	136.1	165.3	-63.5	-179.2	0	0	0	109.5	L108 V109 V110 L232 S256 A257 E258 L259 C263	L108-L249 HydrophobicContact CB-CD2 4.19Å; L108-L249 HydrophobicContact CD2-CD1 4.35Å; V109-L249 WeakPolarHBondContact O-CA 3.44Å; V110-L249 HydrophobicContact CG2-CD2 3.96Å; L232-L249 HydrophobicContact CD2-CD2 3.87Å; L249-S256 CarbonylContact O-C 3.37Å; L249-S256 WeakPolarHBondContact O-CA 3.47Å; L249-A257 HydrophobicContact CB-CB 4.21Å; L249-A257 PolarHBondContact N-O 3.4Å; L249-A257 PolarHBondContact O-N 2.91Å; L249-E258 VanDerWaalsContact CD1-O 3.3Å; L249-E258 WeakPolarHBondContact CD1-O 3.36Å; L249-L259 HydrophobicContact CD2-CD2 4.28Å; L249-L259 HydrophobicContact CG-CD2 4.33Å; L249-C263 HydrophobicContact CB-CB 4.38Å; L249-C263 HydrophobicContact CD1-CB 4.2Å
250	L	96.8	Very high	93.3	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	124.2	166.8	178.2	66.8	0	0	0	108.4	V109 I111 F116 Y119 L124 W265	V109-L250 HydrophobicContact CB-CB 4.32Å; V109-L250 HydrophobicContact CG1-CB 4.11Å; V109-L250 HydrophobicContact CG1-CD2 4.23Å; V109-L250 PolarHBondContact O-N 3.05Å; I111-L250 HydrophobicContact CD1-CB 4.19Å; I111-L250 HydrophobicContact CD1-CD1 4.42Å; I111-L250 HydrophobicContact CG1-CB 4.27Å; I111-L250 HydrophobicContact CG2-CB 3.69Å; I111-L250 HydrophobicContact CG2-CD2 4.14Å; I111-L250 HydrophobicContact CG2-CG 4.47Å; F116-L250 HydrophobicContact CE1-CD2 4.3Å; Y119-L250 WeakPolarHBondContact O-CD1 3.3Å; L124-L250 HydrophobicContact CD1-CD2 4.31Å; L124-L250 HydrophobicContact CD2-CD2 3.91Å; L124-L250 HydrophobicContact CG-CD2 4.12Å; L250-W265 HydrophobicContact CD2-CH2 4.44Å; L250-W265 HydrophobicContact CD2-CZ2 3.83Å; L250-W265 HydrophobicContact CG-CZ2 4.07Å; L250-W265 PolarHBondContact O-NE1 3.39Å
251	C	95.5	Very high	93.2	Very high	3 Å²	3	50.5 Å²	50.5	2%	0.02	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-95.3	149.1	-179.9	-71.9	0	0	0	0	112.7	Q253 G254 S255 C263	C251-Q253 HydrophobicContact CB-CG 4.1Å; C251-Q253 PolarHBondContact O-N 3.14Å; C251-G254 PolarHBondContact O-N 3.41Å; C251-S255 WeakPolarHBondContact CB-O 3.39Å; C251-S255 WeakPolarHBondContact CB-OG 3.21Å; C251-S255 PolarHBondContact N-O 2.94Å; C251-C263 WeakPolarHBondContact CA-SG 3.44Å; C251-C263 HydrophobicContact CB-CB 4.34Å; C251-C263 WeakPolarHBondContact CB-SG 3.39Å; C251-C263 WeakPolarHBondContact SG-CB 2.86Å; C251-C263 CovalentContact SG-SG 2.02Å; C251-C263 PolarHBondContact SG-SG 3.5Å
252	L	89.8	Confident	92.6	Very high	67 Å²	67	52.5 Å²	52.5	35%	0.351	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.3	-31.7	178.3	-74.5	179.9	0	0	0	113.6	V147 G254 W265	V147-L252 HydrophobicContact CB-CD2 4.34Å; V147-L252 HydrophobicContact CG1-CD2 3.41Å; V147-L252 VanDerWaalsContact CG1-CD2 3.41Å; V147-L252 HydrophobicContact CG2-CD2 3.98Å; L252-G254 PolarHBondContact O-N 3.22Å; L252-W265 HydrophobicContact CD1-CB 4.49Å; L252-W265 HydrophobicContact CD2-CB 4.27Å; L252-W265 HydrophobicContact CD2-CD2 3.39Å; L252-W265 HydrophobicContact CD2-CE3 3.73Å; L252-W265 HydrophobicContact CD2-CG 3.66Å; L252-W265 HydrophobicContact CD2-CH2 4.43Å; L252-W265 HydrophobicContact CD2-CZ2 4.17Å; L252-W265 HydrophobicContact CD2-CZ3 4.24Å; L252-W265 HydrophobicContact CG-CB 4.31Å; L252-W265 HydrophobicContact CG-CD2 4.08Å; L252-W265 HydrophobicContact CG-CG 3.84Å
253	Q	86.9	Confident	92.4	Very high	168 Å²	168	53.6 Å²	53.6	79%	0.785	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.8	-0.4	179.8	68.8	-168.8	12.4	0	0	114.2	C251 S255	C251-Q253 HydrophobicContact CB-CG 4.1Å; C251-Q253 PolarHBondContact O-N 3.14Å; Q253-S255 WeakPolarHBondContact CG-OG 3.41Å; Q253-S255 PolarHBondContact NE2-OG 3.08Å
254	G	87.3	Confident	92.3	Very high	28 Å²	28	54.7 Å²	54.7	29%	0.289	32%	0.315	S	S	.	.	S	Bend	trans	84.7	30.5	-179.3	0	0	0	0	0	114.2	Y119 C251 L252	Y119-G254 CarbonylContact O-C 3.52Å; Y119-G254 VanDerWaalsContact O-CA 3.22Å; Y119-G254 WeakPolarHBondContact O-CA 3.32Å; C251-G254 PolarHBondContact O-N 3.41Å; L252-G254 PolarHBondContact O-N 3.22Å
255	S	93.1	Very high	92.4	Very high	37 Å²	37	51.8 Å²	51.8	26%	0.259	30%	0.295	S	S	.	.			trans	-120.1	171.1	173.9	67.8	0	0	0	0	110.9	C251 Q253	C251-S255 WeakPolarHBondContact CB-O 3.39Å; C251-S255 WeakPolarHBondContact CB-OG 3.21Å; C251-S255 PolarHBondContact N-O 2.94Å; Q253-S255 WeakPolarHBondContact CG-OG 3.41Å; Q253-S255 PolarHBondContact NE2-OG 3.08Å
256	S	94.5	Very high	92.4	Very high	38 Å²	38	47.6 Å²	47.6	27%	0.266	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	156.7	163.5	61.5	0	0	0	0	110.9	L249	L249-S256 CarbonylContact O-C 3.37Å; L249-S256 WeakPolarHBondContact O-CA 3.47Å
257	A	96	Very high	92.3	Very high	11 Å²	11	43 Å²	43	9%	0.091	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	158	169.3	0	0	0	0	0	109.8	L249 E261 C263	L249-A257 HydrophobicContact CB-CB 4.21Å; L249-A257 PolarHBondContact N-O 3.4Å; L249-A257 PolarHBondContact O-N 2.91Å; A257-E261 WeakPolarHBondContact CA-OE2 3.39Å; A257-E261 HydrophobicContact CB-CB 4.15Å; A257-E261 WeakPolarHBondContact CB-OE2 3.42Å; A257-C263 HydrophobicContact CB-CB 4.27Å
258	E	95.3	Very high	92.2	Very high	62 Å²	62	45.7 Å²	45.7	29%	0.29	26%	0.26	S	S	.	.			trans	-66.7	163.2	171.4	-64.9	-58.7	143.3	0	0	110.9	K248 L249 D260 E261	K248-E258 WeakPolarHBondContact CE-OE1 3.47Å; K248-E258 IonicContact NZ-OE1 3.07Å; L249-E258 VanDerWaalsContact CD1-O 3.3Å; L249-E258 WeakPolarHBondContact CD1-O 3.36Å; E258-D260 WeakPolarHBondContact CB-OD1 3.45Å; E258-D260 PolarHBondContact O-N 2.97Å; E258-D260 VanDerWaalsContact O-N 3.17Å; E258-E261 HydrophobicContact CB-CG 3.98Å; E258-E261 PolarHBondContact N-OE2 2.91Å; E258-E261 PolarHBondContact O-N 3.29Å
259	L	93.3	Very high	92.1	Very high	29 Å²	29	46.5 Å²	46.5	15%	0.152	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.4	-17.1	-171.2	-62.1	178	0	0	0	113.8	V110 L232 L242 L249	V110-L259 HydrophobicContact CG1-CD2 4.16Å; L232-L259 WeakPolarHBondContact CD2-O 3.33Å; L242-L259 HydrophobicContact CB-CD1 3.9Å; L249-L259 HydrophobicContact CD2-CD2 4.28Å; L249-L259 HydrophobicContact CG-CD2 4.33Å
260	D	90	Very high	91.9	Very high	142 Å²	142	46.5 Å²	46.5	76%	0.759	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-18.6	-179.5	61.1	-21.9	0	0	0	114.2	E258 G262	E258-D260 WeakPolarHBondContact CB-OD1 3.45Å; E258-D260 PolarHBondContact O-N 2.97Å; E258-D260 VanDerWaalsContact O-N 3.17Å; D260-G262 PolarHBondContact O-N 2.9Å
261	E	85.1	Confident	91.9	Very high	131 Å²	131	48.2 Å²	48.2	61%	0.612	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.2	-18.7	-177.8	-76.1	177	164.4	0	0	114.1	A257 E258	A257-E261 WeakPolarHBondContact CA-OE2 3.39Å; A257-E261 HydrophobicContact CB-CB 4.15Å; A257-E261 WeakPolarHBondContact CB-OE2 3.42Å; E258-E261 HydrophobicContact CB-CG 3.98Å; E258-E261 PolarHBondContact N-OE2 2.91Å; E258-E261 PolarHBondContact O-N 3.29Å
262	G	81.7	Confident	92	Very high	51 Å²	51	48 Å²	48	53%	0.526	27%	0.27	S	S	.	.			trans	72.1	118.4	176.6	0	0	0	0	0	113.8	D260	D260-G262 PolarHBondContact O-N 2.9Å
263	C	90.7	Very high	92.4	Very high	25 Å²	25	44.9 Å²	44.9	17%	0.169	25%	0.254	C	S	.	.			trans	-149.9	68.5	180	-162.9	0	0	0	0	113	L108 L249 C251 A257 W265	L108-C263 VanDerWaalsContact CD2-C 3.41Å; L108-C263 WeakPolarHBondContact CD2-O 3.23Å; L249-C263 HydrophobicContact CB-CB 4.38Å; L249-C263 HydrophobicContact CD1-CB 4.2Å; C251-C263 WeakPolarHBondContact CA-SG 3.44Å; C251-C263 HydrophobicContact CB-CB 4.34Å; C251-C263 WeakPolarHBondContact CB-SG 3.39Å; C251-C263 WeakPolarHBondContact SG-CB 2.86Å; C251-C263 CovalentContact SG-SG 2.02Å; C251-C263 PolarHBondContact SG-SG 3.5Å; A257-C263 HydrophobicContact CB-CB 4.27Å; C263-W265 PolarHBondContact O-N 2.78Å
264	S	92.7	Very high	92.9	Very high	45 Å²	45	37 Å²	37	32%	0.315	22%	0.217	S	C	.	.			trans	-67.4	126.8	-171.9	-58.1	0	0	0	0	113	E106	E106-S264 WeakPolarHBondContact CB-OG 3.31Å; E106-S264 WeakPolarHBondContact OE1-CB 3.38Å; E106-S264 PolarHBondContact OE1-OG 2.97Å
265	W	93.3	Very high	93.4	Very high	3 Å²	3	35.7 Å²	35.7	1%	0.011	20%	0.204	C	C	.	.	S	Bend	trans	-78.1	-34	172.4	-84.7	41	0	0	0	112.5	S107 V109 V121 L124 A143 L144 V147 L148 L250 L252 C263 L336	S107-W265 PolarHBondContact O-N 3.11Å; V109-W265 HydrophobicContact CB-CD2 4.38Å; V109-W265 HydrophobicContact CB-CZ2 4.21Å; V109-W265 HydrophobicContact CG1-CZ2 4.46Å; V109-W265 HydrophobicContact CG2-CD2 3.41Å; V109-W265 VanDerWaalsContact CG2-CD2 3.41Å; V109-W265 VanDerWaalsContact CG2-CE2 3.44Å; V109-W265 HydrophobicContact CG2-CE3 3.8Å; V109-W265 HydrophobicContact CG2-CG 3.79Å; V109-W265 HydrophobicContact CG2-CH2 4.21Å; V109-W265 HydrophobicContact CG2-CZ2 3.86Å; V109-W265 HydrophobicContact CG2-CZ3 4.18Å; V121-W265 HydrophobicContact CB-CH2 4.44Å; V121-W265 HydrophobicContact CG1-CH2 3.77Å; V121-W265 HydrophobicContact CG1-CZ2 4.46Å; V121-W265 HydrophobicContact CG1-CZ3 4.44Å; V121-W265 HydrophobicContact CG2-CH2 4.06Å; V121-W265 HydrophobicContact CG2-CZ2 3.92Å; L124-W265 HydrophobicContact CD1-CH2 3.57Å; L124-W265 HydrophobicContact CD1-CZ2 4.43Å; L124-W265 HydrophobicContact CD1-CZ3 4.31Å; A143-W265 HydrophobicContact CB-CB 4.43Å; L144-W265 HydrophobicContact CD2-CE3 4.48Å; L144-W265 HydrophobicContact CD2-CZ3 4.07Å; V147-W265 HydrophobicContact CB-CE3 4.12Å; V147-W265 HydrophobicContact CB-CZ3 4.27Å; V147-W265 HydrophobicContact CG1-CE3 3.97Å; V147-W265 HydrophobicContact CG1-CZ3 3.88Å; V147-W265 HydrophobicContact CG2-CE3 4.13Å; L148-W265 HydrophobicContact CD2-CH2 4.46Å; L148-W265 HydrophobicContact CD2-CZ3 4.23Å; L250-W265 HydrophobicContact CD2-CH2 4.44Å; L250-W265 HydrophobicContact CD2-CZ2 3.83Å; L250-W265 HydrophobicContact CG-CZ2 4.07Å; L250-W265 PolarHBondContact O-NE1 3.39Å; L252-W265 HydrophobicContact CD1-CB 4.49Å; L252-W265 HydrophobicContact CD2-CB 4.27Å; L252-W265 HydrophobicContact CD2-CD2 3.39Å; L252-W265 HydrophobicContact CD2-CE3 3.73Å; L252-W265 HydrophobicContact CD2-CG 3.66Å; L252-W265 HydrophobicContact CD2-CH2 4.43Å; L252-W265 HydrophobicContact CD2-CZ2 4.17Å; L252-W265 HydrophobicContact CD2-CZ3 4.24Å; L252-W265 HydrophobicContact CG-CB 4.31Å; L252-W265 HydrophobicContact CG-CD2 4.08Å; L252-W265 HydrophobicContact CG-CG 3.84Å; C263-W265 PolarHBondContact O-N 2.78Å; W265-L336 VanDerWaalsContact O-CD2 3.23Å; W265-L336 WeakPolarHBondContact O-CD2 3.06Å
266	F	92.7	Very high	93.6	Very high	4 Å²	4	34.7 Å²	34.7	2%	0.018	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	139.8	-173	-168.5	-103.7	0	0	0	109.5	E106 S107 M139 Q142 A143 L336 F337	E106-F266 CarbonylContact C-O 3.57Å; E106-F266 WeakPolarHBondContact CA-O 2.97Å; S107-F266 PolarHBondContact N-O 3.43Å; M139-F266 HydrophobicContact SD-CD1 4.34Å; M139-F266 HydrophobicContact SD-CE1 3.8Å; Q142-F266 HydrophobicContact CB-CD1 4.39Å; Q142-F266 HydrophobicContact CB-CE1 4Å; Q142-F266 HydrophobicContact CB-CZ 4.43Å; A143-F266 HydrophobicContact CB-CB 3.55Å; A143-F266 HydrophobicContact CB-CG 4.31Å; F266-L336 HydrophobicContact CD2-CD2 3.82Å; F266-L336 HydrophobicContact CD2-CG 3.81Å; F266-L336 HydrophobicContact CE2-CG 4.03Å; F266-F337 HydrophobicContact CE1-CD2 4.02Å; F266-F337 HydrophobicContact CE1-CE2 4.45Å; F266-F337 HydrophobicContact CZ-CB 4.35Å; F266-F337 AromaticContact CZ-CD2 3.68Å; F266-F337 HydrophobicContact CZ-CD2 3.68Å; F266-F337 HydrophobicContact CZ-CE2 4.39Å; F266-F337 HydrophobicContact CZ-CG 4.33Å
267	G	93.1	Very high	93.6	Very high	14 Å²	14	34.7 Å²	34.7	14%	0.144	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	142.6	-177.9	0	0	0	0	0	111.7	E105	E105-G267 CarbonylContact O-C 3.55Å; E105-G267 WeakPolarHBondContact O-CA 2.95Å
268	R	94.5	Very high	93.5	Very high	66 Å²	66	40.9 Å²	40.9	25%	0.249	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	122.9	169.9	-178.9	171.1	60.5	168.7	-4.5	109.2	A78 E79 F103 V104 E105 M139 F337	A78-R268 HydrophobicContact CB-CG 3.63Å; E79-R268 IonicContact OE1-NH1 3.48Å; E79-R268 IonicContact OE2-NH1 2.61Å; F103-R268 CarbonylContact C-O 3.57Å; F103-R268 WeakPolarHBondContact CA-O 3.31Å; V104-R268 HydrophobicContact CG2-CG 4.46Å; V104-R268 WeakPolarHBondContact CG2-O 3.46Å; V104-R268 PolarHBondContact N-O 3.29Å; E105-R268 PolarHBondContact N-O 3.18Å; E105-R268 PolarHBondContact O-N 3.22Å; E105-R268 IonicContact OE2-CZ 3.8Å; E105-R268 IonicContact OE2-NE 2.72Å; E105-R268 IonicContact OE2-NH2 2.81Å; E105-R268 PolarHBondContact OE2-NH2 3.29Å; M139-R268 HydrophobicContact CG-CB 4.4Å; M139-R268 HydrophobicContact SD-CB 3.93Å; M139-R268 HydrophobicContact SD-CG 4.5Å; R268-F337 HydrophobicContact CB-CE2 4.04Å; R268-F337 HydrophobicContact CG-CE2 3.83Å; R268-F337 HydrophobicContact CG-CZ 4.35Å
269	R	95	Very high	93.4	Very high	51 Å²	51	39.1 Å²	39.1	19%	0.192	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	160.7	175.4	-67.8	-169.3	178.7	-93.7	-1.2	111.5	D102 F103 Y332	D102-R269 VanDerWaalsContact CG-NH1 3.31Å; D102-R269 WeakPolarHBondContact O-CA 3.35Å; D102-R269 IonicContact OD2-CZ 3.78Å; D102-R269 IonicContact OD2-NH1 3.83Å; D102-R269 PolarHBondContact OD2-NH1 3.39Å; D102-R269 IonicContact OD2-NH2 3.05Å; F103-R269 HydrophobicContact CD1-CG 3.77Å; F103-R269 HydrophobicContact CE1-CG 3.7Å; R269-Y332 HydrophobicContact CB-CE1 4.18Å; R269-Y332 HydrophobicContact CB-CE2 4.35Å; R269-Y332 WeakPolarHBondContact CD-O 3.23Å; R269-Y332 PolarHBondContact NE-O 3.26Å
270	G	93.5	Very high	93.3	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.01	25%	0.25	C	S	.	.			trans	-64.6	-179.2	175.4	0	0	0	0	0	113.6	Y332	G270-Y332 PolarHBondContact O-OH 2.83Å
271	N	96.3	Very high	93.3	Very high	36 Å²	36	43.5 Å²	43.5	19%	0.193	25%	0.246	C	C	.	.			trans	-65.6	151	177.1	-72.2	28.2	0	0	0	111.3	N75 L76 Y95 E96 S312	N75-N271 WeakPolarHBondContact OD1-CB 3.36Å; N75-N271 PolarHBondContact OD1-ND2 2.9Å; L76-N271 CarbonylContact O-C 3.49Å; L76-N271 WeakPolarHBondContact O-CA 3.38Å; L76-N271 VanDerWaalsContact O-CB 3.3Å; L76-N271 WeakPolarHBondContact O-CB 3.22Å; Y95-N271 WeakPolarHBondContact CA-O 3Å; E96-N271 HydrophobicContact CG-CB 4.39Å; E96-N271 PolarHBondContact N-O 2.81Å; N271-S312 WeakPolarHBondContact ND2-CB 3.17Å
272	A	97.6	Very high	93.5	Very high	0 Å²	0	45.2 Å²	45.2	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	155.7	178.8	0	0	0	0	0	112.6	L76 V81 V92 Y332	L76-A272 PolarHBondContact N-O 3.5Å; L76-A272 PolarHBondContact O-N 3.35Å; V81-A272 HydrophobicContact CG2-CB 3.74Å; V92-A272 HydrophobicContact CG1-CB 3.83Å; V92-A272 HydrophobicContact CG2-CB 3.98Å; A272-Y332 HydrophobicContact CB-CD1 4.21Å; A272-Y332 HydrophobicContact CB-CE1 3.62Å
273	F	97.7	Very high	94	Very high	0 Å²	0	44.2 Å²	44.2	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	115.9	-179.9	-59.8	-75.4	0	0	0	109.2	W23 M74 N75 V92 A93 T94 E96 L291 V310 F311 L319	W23-F273 AromaticContact CH2-CD1 3.42Å; W23-F273 HydrophobicContact CH2-CD1 3.42Å; W23-F273 VanDerWaalsContact CH2-CD1 3.42Å; W23-F273 AromaticContact CH2-CE1 3.58Å; W23-F273 HydrophobicContact CH2-CE1 3.58Å; W23-F273 HydrophobicContact CZ2-CD1 4.33Å; W23-F273 HydrophobicContact CZ2-CE1 4.2Å; W23-F273 HydrophobicContact CZ3-CD1 4.2Å; M74-F273 WeakPolarHBondContact O-CA 3.24Å; N75-F273 HydrophobicContact CB-CD1 4.15Å; N75-F273 HydrophobicContact CB-CE1 3.85Å; N75-F273 WeakPolarHBondContact ND2-CE1 3.22Å; N75-F273 WeakPolarHBondContact ND2-CZ 3.46Å; V92-F273 CarbonylContact C-O 3.43Å; A93-F273 PolarHBondContact N-O 3.02Å; T94-F273 HydrophobicContact CG2-CB 4.01Å; T94-F273 HydrophobicContact CG2-CD2 3.61Å; T94-F273 HydrophobicContact CG2-CE2 4.48Å; T94-F273 HydrophobicContact CG2-CG 4.09Å; T94-F273 PolarHBondContact O-N 3.48Å; E96-F273 HydrophobicContact CG-CE2 3.69Å; E96-F273 HydrophobicContact CG-CZ 3.92Å; F273-L291 HydrophobicContact CB-CD1 3.78Å; F273-L291 HydrophobicContact CD1-CD1 3.69Å; F273-L291 HydrophobicContact CD1-CD2 4.21Å; F273-L291 HydrophobicContact CD2-CD1 3.9Å; F273-L291 HydrophobicContact CE1-CD1 4.16Å; F273-L291 HydrophobicContact CE1-CD2 3.98Å; F273-L291 HydrophobicContact CE2-CD1 4.38Å; F273-L291 HydrophobicContact CG-CD1 3.48Å; F273-L291 VanDerWaalsContact CG-CD1 3.48Å; F273-L291 HydrophobicContact CZ-CD1 4.48Å; F273-L291 HydrophobicContact CZ-CD2 4.41Å; F273-V310 VanDerWaalsContact CE1-O 3.26Å; F273-V310 WeakPolarHBondContact CE1-O 3.43Å; F273-F311 HydrophobicContact CE2-CE1 4.41Å; F273-F311 AromaticContact CZ-CD1 3.71Å; F273-F311 HydrophobicContact CZ-CD1 3.71Å; F273-F311 AromaticContact CZ-CE1 3.78Å; F273-F311 HydrophobicContact CZ-CE1 3.78Å; F273-L319 HydrophobicContact CE2-CD2 3.85Å
274	V	98.1	Very high	94	Very high	2 Å²	2	43.5 Å²	43.5	1%	0.012	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	149.7	-172.4	-62.4	0	0	0	0	112.6	I66 S73 M74 L76 V81 L90 R91 V92	I66-V274 HydrophobicContact CD1-CG2 4.07Å; S73-V274 VanDerWaalsContact CA-O 3.25Å; S73-V274 WeakPolarHBondContact CA-O 3.19Å; S73-V274 WeakPolarHBondContact CB-O 3.17Å; S73-V274 PolarHBondContact OG-O 3.22Å; M74-V274 HydrophobicContact CG-CG2 3.92Å; M74-V274 PolarHBondContact O-N 2.84Å; L76-V274 HydrophobicContact CD1-CB 4.37Å; L76-V274 HydrophobicContact CD1-CG1 3.92Å; L76-V274 HydrophobicContact CD1-CG2 3.56Å; L76-V274 HydrophobicContact CG-CG2 4.08Å; V81-V274 HydrophobicContact CG2-CG1 4.33Å; L90-V274 HydrophobicContact CB-CB 4.22Å; L90-V274 HydrophobicContact CD1-CB 4.35Å; L90-V274 HydrophobicContact CD1-CG2 3.84Å; R91-V274 CarbonylContact O-C 3.6Å; R91-V274 WeakPolarHBondContact O-CA 3.38Å; V92-V274 HydrophobicContact CG2-CG1 4.38Å
275	V	97.6	Very high	94	Very high	1 Å²	1	44.7 Å²	44.7	1%	0.006	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	164.4	177.7	-65.8	0	0	0	0	110.6	R91 A93 A279 I284 V287	R91-V275 HydrophobicContact CB-CG2 4.29Å; R91-V275 PolarHBondContact N-O 3.2Å; R91-V275 PolarHBondContact O-N 3.34Å; A93-V275 HydrophobicContact CB-CG1 3.81Å; A93-V275 HydrophobicContact CB-CG2 4.22Å; V275-A279 HydrophobicContact CB-CB 4.18Å; V275-A279 HydrophobicContact CG2-CB 4.21Å; V275-I284 HydrophobicContact CG2-CG1 4.22Å; V275-V287 HydrophobicContact CG1-CB 4.4Å; V275-V287 HydrophobicContact CG1-CG1 4.26Å; V275-V287 HydrophobicContact CG1-CG2 4.09Å
276	S	97.1	Very high	93.9	Very high	17 Å²	17	46.9 Å²	46.9	12%	0.119	24%	0.238	C	C	.	.			trans	-55.4	142.7	174.2	-176.7	0	0	0	0	111.5	I66 L278 A279	I66-S276 WeakPolarHBondContact O-CB 3.39Å; S276-L278 PolarHBondContact O-N 2.94Å; S276-L278 PolarHBondContact OG-N 2.82Å; S276-A279 WeakPolarHBondContact O-CB 3.38Å; S276-A279 PolarHBondContact O-N 2.75Å
277	P	95.2	Very high	93.9	Very high	37 Å²	37	46.8 Å²	46.8	24%	0.24	24%	0.237	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.6	170.7	13.9	-19.7	0	0	0	113.5	S89 A279	S89-P277 VanDerWaalsContact O-CB 3.29Å; S89-P277 WeakPolarHBondContact O-CB 3.4Å; S89-P277 WeakPolarHBondContact O-CG 3.28Å; P277-A279 VanDerWaalsContact C-N 3.35Å
278	L	93.7	Very high	93.9	Very high	141 Å²	141	46.8 Å²	46.8	74%	0.738	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.2	0.1	177.1	-56.7	179	0	0	0	112.6	S276 K280	S276-L278 PolarHBondContact O-N 2.94Å; S276-L278 PolarHBondContact OG-N 2.82Å; L278-K280 PolarHBondContact O-N 3.39Å
279	A	92.6	Very high	93.8	Very high	25 Å²	25	46.9 Å²	46.9	21%	0.207	24%	0.238	C	C	.	.			trans	-65	123.3	179.6	0	0	0	0	0	110.8	V275 S276 P277 I284	V275-A279 HydrophobicContact CB-CB 4.18Å; V275-A279 HydrophobicContact CG2-CB 4.21Å; S276-A279 WeakPolarHBondContact O-CB 3.38Å; S276-A279 PolarHBondContact O-N 2.75Å; P277-A279 VanDerWaalsContact C-N 3.35Å; A279-I284 HydrophobicContact CB-CG1 4.19Å
280	K	91.1	Very high	93.7	Very high	170 Å²	170	45 Å²	45	74%	0.739	23%	0.232	S	C	*	.			trans	-69.4	159.4	174.5	-62.7	-177	179.3	-179.6	0	111	L278 K282 K283 I284	L278-K280 PolarHBondContact O-N 3.39Å; K280-K282 VanDerWaalsContact C-N 3.26Å; K280-K282 PolarHBondContact O-N 3.04Å; K280-K283 PolarHBondContact O-N 3.22Å; K280-I284 PolarHBondContact O-N 2.7Å; K280-I284 VanDerWaalsContact O-N 3.09Å
281	S	90	Very high	93.7	Very high	94 Å²	94	45 Å²	45	66%	0.657	23%	0.232	S	C	*	.	H	α-helix	trans	-49	-44.9	177.1	53.6	0	0	0	0	112.8	K283 I284 E285	S281-K283 VanDerWaalsContact C-N 3.32Å; S281-K283 PolarHBondContact O-N 2.8Å; S281-I284 PolarHBondContact O-N 3.39Å; S281-E285 WeakPolarHBondContact O-CB 3.01Å; S281-E285 PolarHBondContact O-N 3.24Å
282	K	90.2	Very high	93.5	Very high	167 Å²	167	45.1 Å²	45.1	73%	0.726	23%	0.233	S	C	*	.	H	α-helix	trans	-55.9	-42.2	176.7	-173.3	179.7	-180	-178.6	0	112.9	K280 Q286	K280-K282 VanDerWaalsContact C-N 3.26Å; K280-K282 PolarHBondContact O-N 3.04Å; K282-Q286 VanDerWaalsContact O-CB 3.31Å; K282-Q286 WeakPolarHBondContact O-CB 3.38Å; K282-Q286 PolarHBondContact O-N 2.8Å
283	K	90.3	Very high	93.3	Very high	29 Å²	29	49.8 Å²	49.8	13%	0.126	25%	0.253	C	S	.	.	H	α-helix	trans	-72.8	-39.6	179.8	-169.8	65.9	172.6	-170.4	0	111.4	I21 D72 K280 S281 E285 Q286 V287	I21-K283 HydrophobicContact CD1-CD 4.43Å; D72-K283 WeakPolarHBondContact OD1-CE 3.37Å; D72-K283 IonicContact OD1-NZ 2.71Å; D72-K283 PolarHBondContact OD1-NZ 3.27Å; D72-K283 WeakPolarHBondContact OD2-CE 3.39Å; D72-K283 IonicContact OD2-NZ 3.89Å; D72-K283 PolarHBondContact OD2-NZ 3.2Å; K280-K283 PolarHBondContact O-N 3.22Å; S281-K283 VanDerWaalsContact C-N 3.32Å; S281-K283 PolarHBondContact O-N 2.8Å; K283-E285 VanDerWaalsContact C-N 3.31Å; K283-E285 PolarHBondContact O-N 3.25Å; K283-Q286 PolarHBondContact O-N 3.05Å; K283-V287 WeakPolarHBondContact O-CG2 3.11Å; K283-V287 PolarHBondContact O-N 3.02Å
284	I	92.3	Very high	93.1	Very high	11 Å²	11	49.8 Å²	49.8	6%	0.056	25%	0.253	C	S	.	.	H	α-helix	trans	-59.1	-46.2	174.1	-62	165.6	0	0	0	110	A93 V275 A279 K280 S281 V287 R288 S326	A93-I284 HydrophobicContact CB-CG2 4.16Å; V275-I284 HydrophobicContact CG2-CG1 4.22Å; A279-I284 HydrophobicContact CB-CG1 4.19Å; K280-I284 PolarHBondContact O-N 2.7Å; K280-I284 VanDerWaalsContact O-N 3.09Å; S281-I284 PolarHBondContact O-N 3.39Å; I284-V287 PolarHBondContact O-N 2.97Å; I284-R288 PolarHBondContact O-N 3.28Å; I284-S326 WeakPolarHBondContact CD1-OG 3.42Å
285	E	91.7	Very high	92.9	Very high	70 Å²	70	50.4 Å²	50.4	33%	0.327	26%	0.255	S	S	.	.	H	α-helix	trans	-64	-43.3	178	-167.2	54.9	-127.1	0	0	111.7	S281 K283 V287 R288 N289	S281-E285 WeakPolarHBondContact O-CB 3.01Å; S281-E285 PolarHBondContact O-N 3.24Å; K283-E285 VanDerWaalsContact C-N 3.31Å; K283-E285 PolarHBondContact O-N 3.25Å; E285-V287 PolarHBondContact O-N 2.82Å; E285-R288 VanDerWaalsContact CD-NH1 3.27Å; E285-R288 PolarHBondContact O-N 3.13Å; E285-R288 IonicContact OE1-NH1 3.78Å; E285-R288 PolarHBondContact OE1-NH1 3.49Å; E285-R288 IonicContact OE2-CZ 2.68Å; E285-R288 IonicContact OE2-NH1 3.58Å; E285-R288 PolarHBondContact OE2-NH1 2.98Å; E285-N289 WeakPolarHBondContact CG-ND2 3.49Å; E285-N289 WeakPolarHBondContact O-CB 3.49Å; E285-N289 PolarHBondContact O-N 3.27Å; E285-N289 PolarHBondContact O-ND2 3.42Å; E285-N289 VanDerWaalsContact OE1-CG 3.32Å; E285-N289 PolarHBondContact OE1-ND2 3.25Å; E285-N289 PolarHBondContact OE1-OD1 2.03Å
286	Q	91.2	Very high	92.7	Very high	49 Å²	49	60 Å²	60	23%	0.229	29%	0.291	C	S	.	.	H	α-helix	trans	-59.2	-47.5	175.6	-168.2	-171.1	13.3	0	0	111.8	E19 I21 K282 K283 R288 N289 T290	E19-Q286 PolarHBondContact O-NE2 2.9Å; I21-Q286 HydrophobicContact CD1-CB 4.33Å; I21-Q286 HydrophobicContact CD1-CG 3.81Å; I21-Q286 HydrophobicContact CG1-CG 4.35Å; K282-Q286 VanDerWaalsContact O-CB 3.31Å; K282-Q286 WeakPolarHBondContact O-CB 3.38Å; K282-Q286 PolarHBondContact O-N 2.8Å; K283-Q286 PolarHBondContact O-N 3.05Å; Q286-R288 PolarHBondContact O-N 3.49Å; Q286-N289 PolarHBondContact O-N 2.85Å; Q286-T290 VanDerWaalsContact O-CB 3.31Å; Q286-T290 WeakPolarHBondContact O-CB 3.05Å; Q286-T290 PolarHBondContact O-N 2.95Å; Q286-T290 PolarHBondContact O-OG1 3.22Å
287	V	93.2	Very high	92.5	Very high	1 Å²	1	60 Å²	60	1%	0.006	29%	0.293	C	S	.	.	H	α-helix	trans	-59.1	-48	176.8	169.2	0	0	0	0	110.5	I21 A93 V275 K283 I284 E285 T290 L291	I21-V287 HydrophobicContact CD1-CG2 3.74Å; A93-V287 HydrophobicContact CB-CG1 4.3Å; V275-V287 HydrophobicContact CG1-CB 4.4Å; V275-V287 HydrophobicContact CG1-CG1 4.26Å; V275-V287 HydrophobicContact CG1-CG2 4.09Å; K283-V287 WeakPolarHBondContact O-CG2 3.11Å; K283-V287 PolarHBondContact O-N 3.02Å; I284-V287 PolarHBondContact O-N 2.97Å; E285-V287 PolarHBondContact O-N 2.82Å; V287-T290 PolarHBondContact O-N 2.68Å; V287-L291 HydrophobicContact CG1-CD1 3.86Å; V287-L291 WeakPolarHBondContact O-CB 3.4Å; V287-L291 VanDerWaalsContact O-CG 3.3Å; V287-L291 WeakPolarHBondContact O-CG 3.39Å; V287-L291 PolarHBondContact O-N 2.87Å
288	R	92.9	Very high	92.4	Very high	15 Å²	15	58.5 Å²	58.5	6%	0.057	28%	0.283	C	S	.	.	H	α-helix	trans	-61.3	-47.9	-179.8	-168.7	-175.8	-54.9	102.1	-8.1	112	T94 I284 E285 Q286 L291 N292 T322	T94-R288 HydrophobicContact CG2-CG 4.34Å; I284-R288 PolarHBondContact O-N 3.28Å; E285-R288 VanDerWaalsContact CD-NH1 3.27Å; E285-R288 PolarHBondContact O-N 3.13Å; E285-R288 IonicContact OE1-NH1 3.78Å; E285-R288 PolarHBondContact OE1-NH1 3.49Å; E285-R288 IonicContact OE2-CZ 2.68Å; E285-R288 IonicContact OE2-NH1 3.58Å; E285-R288 PolarHBondContact OE2-NH1 2.98Å; Q286-R288 PolarHBondContact O-N 3.49Å; R288-L291 PolarHBondContact O-N 3.33Å; R288-N292 WeakPolarHBondContact O-CB 3.36Å; R288-N292 PolarHBondContact O-N 2.92Å; R288-N292 PolarHBondContact O-ND2 2.69Å; R288-T322 PolarHBondContact NE-OG1 2.91Å; R288-T322 PolarHBondContact NH2-OG1 2.68Å
289	N	91.9	Very high	92.3	Very high	68 Å²	68	54.2 Å²	54.2	36%	0.364	26%	0.261	S	S	.	.	H	α-helix	trans	-67.5	-38.8	-178	-73.2	-26.3	0	0	0	112.3	E285 Q286 N292 K293	E285-N289 WeakPolarHBondContact CG-ND2 3.49Å; E285-N289 WeakPolarHBondContact O-CB 3.49Å; E285-N289 PolarHBondContact O-N 3.27Å; E285-N289 PolarHBondContact O-ND2 3.42Å; E285-N289 VanDerWaalsContact OE1-CG 3.32Å; E285-N289 PolarHBondContact OE1-ND2 3.25Å; E285-N289 PolarHBondContact OE1-OD1 2.03Å; Q286-N289 PolarHBondContact O-N 2.85Å; N289-N292 PolarHBondContact O-N 3.41Å; N289-K293 WeakPolarHBondContact O-CB 3.42Å; N289-K293 VanDerWaalsContact O-CG 3.29Å; N289-K293 WeakPolarHBondContact O-CG 3.1Å; N289-K293 PolarHBondContact O-N 3.17Å
290	T	92.7	Very high	92.2	Very high	10 Å²	10	56.9 Å²	56.9	6%	0.061	29%	0.29	C	S	.	.	H	α-helix	trans	-61.7	-48	173.1	-65.9	0	0	0	0	110.9	I21 T49 F51 Q286 V287 N292 K293 I294	I21-T290 HydrophobicContact CG1-CG2 4.3Å; T49-T290 HydrophobicContact CG2-CG2 3.88Å; F51-T290 HydrophobicContact CD2-CG2 3.63Å; F51-T290 HydrophobicContact CE2-CG2 4.3Å; Q286-T290 VanDerWaalsContact O-CB 3.31Å; Q286-T290 WeakPolarHBondContact O-CB 3.05Å; Q286-T290 PolarHBondContact O-N 2.95Å; Q286-T290 PolarHBondContact O-OG1 3.22Å; V287-T290 PolarHBondContact O-N 2.68Å; T290-N292 PolarHBondContact O-N 2.73Å; T290-K293 PolarHBondContact O-N 3.44Å; T290-I294 HydrophobicContact CG2-CD1 3.89Å; T290-I294 HydrophobicContact CG2-CG1 4.46Å; T290-I294 VanDerWaalsContact O-CG1 3.28Å; T290-I294 WeakPolarHBondContact O-CG1 3.27Å; T290-I294 PolarHBondContact O-N 3.25Å
291	L	94.1	Very high	92.2	Very high	1 Å²	1	52.7 Å²	52.7	1%	0.005	28%	0.279	C	S	.	.	H	α-helix	trans	-61.6	-42	177.7	-71.2	169.4	0	0	0	112.7	W23 T94 F273 V287 R288 K293 I294 F295 V310 L319	W23-L291 HydrophobicContact CH2-CD2 3.82Å; W23-L291 HydrophobicContact CZ3-CD2 3.89Å; T94-L291 HydrophobicContact CG2-CD1 3.67Å; F273-L291 HydrophobicContact CB-CD1 3.78Å; F273-L291 HydrophobicContact CD1-CD1 3.69Å; F273-L291 HydrophobicContact CD1-CD2 4.21Å; F273-L291 HydrophobicContact CD2-CD1 3.9Å; F273-L291 HydrophobicContact CE1-CD1 4.16Å; F273-L291 HydrophobicContact CE1-CD2 3.98Å; F273-L291 HydrophobicContact CE2-CD1 4.38Å; F273-L291 HydrophobicContact CG-CD1 3.48Å; F273-L291 VanDerWaalsContact CG-CD1 3.48Å; F273-L291 HydrophobicContact CZ-CD1 4.48Å; F273-L291 HydrophobicContact CZ-CD2 4.41Å; V287-L291 HydrophobicContact CG1-CD1 3.86Å; V287-L291 WeakPolarHBondContact O-CB 3.4Å; V287-L291 VanDerWaalsContact O-CG 3.3Å; V287-L291 WeakPolarHBondContact O-CG 3.39Å; V287-L291 PolarHBondContact O-N 2.87Å; R288-L291 PolarHBondContact O-N 3.33Å; L291-K293 PolarHBondContact O-N 3.17Å; L291-I294 PolarHBondContact O-N 3.02Å; L291-F295 WeakPolarHBondContact O-CB 3.49Å; L291-F295 PolarHBondContact O-N 3.24Å; L291-V310 HydrophobicContact CD2-CG1 3.64Å; L291-L319 HydrophobicContact CB-CD1 3.96Å
292	N	92.9	Very high	92.3	Very high	39 Å²	39	51 Å²	51	21%	0.209	26%	0.26	C	S	.	.	H	α-helix	trans	-62.2	-41.9	175.4	-84.5	-38.7	0	0	0	112.4	R288 N289 T290 F295 R296	R288-N292 WeakPolarHBondContact O-CB 3.36Å; R288-N292 PolarHBondContact O-N 2.92Å; R288-N292 PolarHBondContact O-ND2 2.69Å; N289-N292 PolarHBondContact O-N 3.41Å; T290-N292 PolarHBondContact O-N 2.73Å; N292-F295 PolarHBondContact O-N 3.05Å; N292-R296 WeakPolarHBondContact O-CB 3.4Å; N292-R296 VanDerWaalsContact O-CG 3.25Å; N292-R296 WeakPolarHBondContact O-CG 3.46Å; N292-R296 PolarHBondContact O-N 3.1Å
293	K	93.1	Very high	92.4	Very high	99 Å²	99	44.5 Å²	44.5	43%	0.43	23%	0.234	S	C	.	.	H	α-helix	trans	-63	-46.5	175.9	-75.6	175.4	179.2	-175.2	0	111.3	T49 N289 T290 L291 R296 A297	T49-K293 HydrophobicContact CG2-CB 4.02Å; T49-K293 HydrophobicContact CG2-CD 3.58Å; T49-K293 HydrophobicContact CG2-CG 4.46Å; N289-K293 WeakPolarHBondContact O-CB 3.42Å; N289-K293 VanDerWaalsContact O-CG 3.29Å; N289-K293 WeakPolarHBondContact O-CG 3.1Å; N289-K293 PolarHBondContact O-N 3.17Å; T290-K293 PolarHBondContact O-N 3.44Å; L291-K293 PolarHBondContact O-N 3.17Å; K293-R296 PolarHBondContact O-N 2.05Å; K293-A297 VanDerWaalsContact O-CB 3.26Å; K293-A297 WeakPolarHBondContact O-CB 3.32Å; K293-A297 PolarHBondContact O-N 3.16Å
294	I	94	Very high	92.5	Very high	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.254	C	S	.	.	H	α-helix	trans	-61	-47.8	176.8	-63.3	173.4	0	0	0	110.1	L42 F51 T290 L291 R296 A297 F298 W305 F311	L42-I294 HydrophobicContact CD2-CD1 4.24Å; L42-I294 HydrophobicContact CD2-CG1 3.73Å; L42-I294 HydrophobicContact CD2-CG2 4.39Å; F51-I294 HydrophobicContact CD2-CD1 3.77Å; F51-I294 HydrophobicContact CE2-CD1 3.84Å; F51-I294 HydrophobicContact CG-CD1 4.13Å; F51-I294 HydrophobicContact CZ-CD1 4.28Å; T290-I294 HydrophobicContact CG2-CD1 3.89Å; T290-I294 HydrophobicContact CG2-CG1 4.46Å; T290-I294 VanDerWaalsContact O-CG1 3.28Å; T290-I294 WeakPolarHBondContact O-CG1 3.27Å; T290-I294 PolarHBondContact O-N 3.25Å; L291-I294 PolarHBondContact O-N 3.02Å; I294-R296 PolarHBondContact O-N 2.84Å; I294-A297 PolarHBondContact O-N 3.33Å; I294-F298 HydrophobicContact CG2-CD2 4.31Å; I294-F298 WeakPolarHBondContact O-CD2 3.29Å; I294-F298 PolarHBondContact O-N 2.89Å; I294-W305 HydrophobicContact CG2-CH2 3.99Å; I294-W305 HydrophobicContact CG2-CZ3 4.04Å; I294-F311 HydrophobicContact CG2-CE2 4.05Å
295	F	94	Very high	92.5	Very high	14 Å²	14	45.7 Å²	45.7	6%	0.061	25%	0.251	C	S	.	.	H	α-helix	trans	-58.1	-52.2	178.9	-173.2	-98.3	0	0	0	111.1	L291 N292 A297 F298 N299 F306 F311 V316 T317 L319	L291-F295 WeakPolarHBondContact O-CB 3.49Å; L291-F295 PolarHBondContact O-N 3.24Å; N292-F295 PolarHBondContact O-N 3.05Å; F295-A297 VanDerWaalsContact C-N 3.3Å; F295-A297 PolarHBondContact O-N 3.21Å; F295-F298 PolarHBondContact O-N 3.31Å; F295-N299 HydrophobicContact CD1-CB 4.29Å; F295-N299 HydrophobicContact CE1-CB 3.96Å; F295-N299 HydrophobicContact CE2-CB 4.34Å; F295-N299 HydrophobicContact CZ-CB 3.97Å; F295-N299 VanDerWaalsContact CZ-CG 3.43Å; F295-N299 WeakPolarHBondContact CZ-OD1 3.46Å; F295-N299 WeakPolarHBondContact O-CA 3.4Å; F295-N299 WeakPolarHBondContact O-CB 3.45Å; F295-N299 PolarHBondContact O-N 3.4Å; F295-F306 HydrophobicContact CD2-CE2 4.33Å; F295-F306 AromaticContact CD2-CZ 3.82Å; F295-F306 HydrophobicContact CD2-CZ 3.82Å; F295-F306 AromaticContact CE2-CZ 3.9Å; F295-F306 HydrophobicContact CE2-CZ 3.9Å; F295-F311 HydrophobicContact CB-CE1 4.34Å; F295-F311 HydrophobicContact CB-CE2 4.35Å; F295-F311 HydrophobicContact CB-CZ 3.72Å; F295-F311 HydrophobicContact CD2-CD1 4.36Å; F295-F311 AromaticContact CD2-CE1 3.98Å; F295-F311 HydrophobicContact CD2-CE1 3.98Å; F295-F311 HydrophobicContact CD2-CE2 4.19Å; F295-F311 AromaticContact CD2-CZ 3.88Å; F295-F311 HydrophobicContact CD2-CZ 3.88Å; F295-F311 HydrophobicContact CG-CZ 4.3Å; F295-V316 HydrophobicContact CD2-CG1 4.47Å; F295-V316 HydrophobicContact CE2-CB 4.22Å; F295-V316 HydrophobicContact CE2-CG1 3.73Å; F295-V316 HydrophobicContact CZ-CG1 4.38Å; F295-T317 WeakPolarHBondContact CE1-O 3.35Å; F295-T317 VanDerWaalsContact CZ-O 3.24Å; F295-T317 WeakPolarHBondContact CZ-O 3.32Å; F295-L319 HydrophobicContact CB-CD1 4.23Å; F295-L319 HydrophobicContact CG-CG 4.45Å
296	R	93.4	Very high	92.6	Very high	202 Å²	202	42.3 Å²	42.3	76%	0.762	24%	0.236	S	C	*	.	H	α-helix	trans	-58.7	-41.3	178.5	-71.7	173.6	-173.4	-177.1	1.9	112.4	N292 K293 I294 F298	N292-R296 WeakPolarHBondContact O-CB 3.4Å; N292-R296 VanDerWaalsContact O-CG 3.25Å; N292-R296 WeakPolarHBondContact O-CG 3.46Å; N292-R296 PolarHBondContact O-N 3.1Å; K293-R296 PolarHBondContact O-N 2.05Å; I294-R296 PolarHBondContact O-N 2.84Å; R296-F298 VanDerWaalsContact C-N 3.32Å; R296-F298 PolarHBondContact O-N 3.47Å
297	A	92.6	Very high	92.5	Very high	19 Å²	19	46.9 Å²	46.9	16%	0.157	25%	0.251	C	S	.	.	H	α-helix	trans	-68.7	-28.9	-179.3	0	0	0	0	0	112.9	R45 T47 K293 I294 F295	R45-A297 VanDerWaalsContact CZ-O 3.26Å; R45-A297 PolarHBondContact NH1-O 2.85Å; T47-A297 HydrophobicContact CG2-CB 3.84Å; K293-A297 VanDerWaalsContact O-CB 3.26Å; K293-A297 WeakPolarHBondContact O-CB 3.32Å; K293-A297 PolarHBondContact O-N 3.16Å; I294-A297 PolarHBondContact O-N 3.33Å; F295-A297 VanDerWaalsContact C-N 3.3Å; F295-A297 PolarHBondContact O-N 3.21Å
298	F	93.4	Very high	92.1	Very high	4 Å²	4	53.2 Å²	53.2	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-124.4	-0.6	-170.7	-67.2	-84	0	0	0	115.5	D41 L42 R45 I294 F295 R296 G300 T301 K302 P303 W305 F306	D41-F298 HydrophobicContact CB-CE1 3.91Å; D41-F298 HydrophobicContact CB-CZ 3.84Å; L42-F298 HydrophobicContact CD2-CE2 3.85Å; R45-F298 HydrophobicContact CB-CZ 4.33Å; R45-F298 VanDerWaalsContact CD-CZ 3.49Å; R45-F298 HydrophobicContact CG-CE1 4.32Å; R45-F298 HydrophobicContact CG-CE2 4.48Å; R45-F298 HydrophobicContact CG-CZ 3.84Å; I294-F298 HydrophobicContact CG2-CD2 4.31Å; I294-F298 WeakPolarHBondContact O-CD2 3.29Å; I294-F298 PolarHBondContact O-N 2.89Å; F295-F298 PolarHBondContact O-N 3.31Å; R296-F298 VanDerWaalsContact C-N 3.32Å; R296-F298 PolarHBondContact O-N 3.47Å; F298-G300 PolarHBondContact O-N 3.36Å; F298-T301 PolarHBondContact O-N 2.91Å; F298-K302 WeakPolarHBondContact O-CA 3.21Å; F298-K302 PolarHBondContact O-N 3.49Å; F298-P303 HydrophobicContact CD1-CG 3.9Å; F298-P303 HydrophobicContact CE1-CG 4.48Å; F298-W305 HydrophobicContact CB-CH2 4.3Å; F298-W305 HydrophobicContact CD1-CH2 4.11Å; F298-W305 AromaticContact CD1-CZ2 3.67Å; F298-W305 HydrophobicContact CD1-CZ2 3.67Å; F298-W305 AromaticContact CD2-CH2 3.63Å; F298-W305 HydrophobicContact CD2-CH2 3.63Å; F298-W305 AromaticContact CD2-CZ2 3.94Å; F298-W305 HydrophobicContact CD2-CZ2 3.94Å; F298-W305 HydrophobicContact CE1-CH2 4.35Å; F298-W305 AromaticContact CE1-CZ2 3.67Å; F298-W305 HydrophobicContact CE1-CZ2 3.67Å; F298-W305 AromaticContact CE2-CH2 3.93Å; F298-W305 HydrophobicContact CE2-CH2 3.93Å; F298-W305 AromaticContact CE2-CZ2 3.95Å; F298-W305 HydrophobicContact CE2-CZ2 3.95Å; F298-W305 AromaticContact CG-CH2 3.73Å; F298-W305 HydrophobicContact CG-CH2 3.73Å; F298-W305 AromaticContact CG-CZ2 3.81Å; F298-W305 HydrophobicContact CG-CZ2 3.81Å; F298-W305 HydrophobicContact CZ-CH2 4.27Å; F298-W305 AromaticContact CZ-CZ2 3.81Å; F298-W305 HydrophobicContact CZ-CZ2 3.81Å; F298-F306 HydrophobicContact CB-CD2 3.83Å; F298-F306 HydrophobicContact CB-CE2 4.07Å
299	N	90.7	Very high	92.1	Very high	52 Å²	52	52.8 Å²	52.8	28%	0.278	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60	-28.7	179.2	-175.4	33	0	0	0	112.8	F295 K302	F295-N299 HydrophobicContact CD1-CB 4.29Å; F295-N299 HydrophobicContact CE1-CB 3.96Å; F295-N299 HydrophobicContact CE2-CB 4.34Å; F295-N299 HydrophobicContact CZ-CB 3.97Å; F295-N299 VanDerWaalsContact CZ-CG 3.43Å; F295-N299 WeakPolarHBondContact CZ-OD1 3.46Å; F295-N299 WeakPolarHBondContact O-CA 3.4Å; F295-N299 WeakPolarHBondContact O-CB 3.45Å; F295-N299 PolarHBondContact O-N 3.4Å; N299-K302 WeakPolarHBondContact O-CD 3.23Å; N299-K302 WeakPolarHBondContact O-CE 3.49Å; N299-K302 WeakPolarHBondContact O-CG 3.48Å; N299-K302 PolarHBondContact O-NZ 3.32Å; N299-K302 WeakPolarHBondContact OD1-CE 3.44Å; N299-K302 PolarHBondContact OD1-NZ 2.94Å
300	G	90.7	Very high	92.2	Very high	80 Å²	80	49.6 Å²	49.6	83%	0.825	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-41.8	176	0	0	0	0	0	114.2	F298	F298-G300 PolarHBondContact O-N 3.36Å
301	T	91.9	Very high	92.3	Very high	82 Å²	82	49.2 Å²	49.2	50%	0.503	25%	0.254	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.6	-30.7	-174.8	53.9	0	0	0	0	114	F298	F298-T301 PolarHBondContact O-N 2.91Å
302	K	91.6	Very high	92.2	Very high	60 Å²	60	51.3 Å²	51.3	26%	0.261	27%	0.268	S	S	.	.			trans	41.9	61.8	178.2	-73.1	167.7	171.1	158.9	0	113.4	F298 N299 F306 S314	F298-K302 WeakPolarHBondContact O-CA 3.21Å; F298-K302 PolarHBondContact O-N 3.49Å; N299-K302 WeakPolarHBondContact O-CD 3.23Å; N299-K302 WeakPolarHBondContact O-CE 3.49Å; N299-K302 WeakPolarHBondContact O-CG 3.48Å; N299-K302 PolarHBondContact O-NZ 3.32Å; N299-K302 WeakPolarHBondContact OD1-CE 3.44Å; N299-K302 PolarHBondContact OD1-NZ 2.94Å; K302-F306 HydrophobicContact CB-CD1 4.44Å; K302-F306 HydrophobicContact CB-CG 4.48Å; K302-F306 HydrophobicContact CG-CD1 4.08Å; K302-F306 HydrophobicContact CG-CE1 4.04Å; K302-F306 HydrophobicContact CG-CE2 4.47Å; K302-F306 HydrophobicContact CG-CG 4.33Å; K302-F306 HydrophobicContact CG-CZ 4.24Å; K302-S314 WeakPolarHBondContact CD-O 3.45Å; K302-S314 WeakPolarHBondContact CE-O 3.45Å; K302-S314 PolarHBondContact NZ-O 2.75Å
303	P	92.8	Very high	92	Very high	29 Å²	29	50.7 Å²	50.7	19%	0.188	27%	0.267	C	S	.	.			trans	-59.4	165.1	179.6	27.4	-36.3	0	0	0	112	F298 W305 F306	F298-P303 HydrophobicContact CD1-CG 3.9Å; F298-P303 HydrophobicContact CE1-CG 4.48Å; P303-W305 VanDerWaalsContact C-N 3.25Å; P303-W305 HydrophobicContact CG-CD2 3.99Å; P303-W305 HydrophobicContact CG-CG 4.33Å; P303-W305 HydrophobicContact CG-CH2 4.42Å; P303-W305 HydrophobicContact CG-CZ2 3.59Å; P303-W305 VanDerWaalsContact CG-NE1 3.29Å; P303-W305 PolarHBondContact O-N 3.13Å; P303-W305 VanDerWaalsContact O-N 3.12Å; P303-F306 HydrophobicContact CG-CB 4.3Å; P303-F306 WeakPolarHBondContact O-CA 3.15Å; P303-F306 WeakPolarHBondContact O-CB 3.29Å; P303-F306 PolarHBondContact O-N 3.4Å
304	A	91.3	Very high	91.8	Very high	64 Å²	64	47.9 Å²	47.9	53%	0.529	26%	0.26	S	S	.	.	G	3₁₀ helix	trans	-53.9	-39	-174.6	0	0	0	0	0	113.9	L34 F306	L34-A304 HydrophobicContact CD2-CB 4.2Å; A304-F306 PolarHBondContact O-N 2.95Å
305	W	93	Very high	91.5	Very high	1 Å²	1	52.1 Å²	52.1	0%	0.004	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-66	-24.6	177.2	62.6	-105.8	0	0	0	113	L34 M38 D41 I294 F298 P303 R307 R308 M309 V310	L34-W305 HydrophobicContact CB-CB 4.2Å; L34-W305 HydrophobicContact CD2-CB 4.26Å; M38-W305 HydrophobicContact CB-CB 4.08Å; M38-W305 HydrophobicContact CB-CD2 3.55Å; M38-W305 HydrophobicContact CB-CE3 3.89Å; M38-W305 HydrophobicContact CB-CG 3.64Å; M38-W305 HydrophobicContact CG-CD2 3.63Å; M38-W305 HydrophobicContact CG-CE3 3.45Å; M38-W305 VanDerWaalsContact CG-CE3 3.45Å; M38-W305 HydrophobicContact CG-CG 4.26Å; M38-W305 HydrophobicContact CG-CH2 4.07Å; M38-W305 HydrophobicContact CG-CZ2 4.19Å; M38-W305 HydrophobicContact CG-CZ3 3.71Å; M38-W305 HydrophobicContact SD-CD2 4.31Å; M38-W305 HydrophobicContact SD-CE3 3.64Å; M38-W305 HydrophobicContact SD-CZ3 3.95Å; D41-W305 HydrophobicContact CB-CZ2 4.17Å; D41-W305 PolarHBondContact OD2-NE1 3.21Å; I294-W305 HydrophobicContact CG2-CH2 3.99Å; I294-W305 HydrophobicContact CG2-CZ3 4.04Å; F298-W305 HydrophobicContact CB-CH2 4.3Å; F298-W305 HydrophobicContact CD1-CH2 4.11Å; F298-W305 AromaticContact CD1-CZ2 3.67Å; F298-W305 HydrophobicContact CD1-CZ2 3.67Å; F298-W305 AromaticContact CD2-CH2 3.63Å; F298-W305 HydrophobicContact CD2-CH2 3.63Å; F298-W305 AromaticContact CD2-CZ2 3.94Å; F298-W305 HydrophobicContact CD2-CZ2 3.94Å; F298-W305 HydrophobicContact CE1-CH2 4.35Å; F298-W305 AromaticContact CE1-CZ2 3.67Å; F298-W305 HydrophobicContact CE1-CZ2 3.67Å; F298-W305 AromaticContact CE2-CH2 3.93Å; F298-W305 HydrophobicContact CE2-CH2 3.93Å; F298-W305 AromaticContact CE2-CZ2 3.95Å; F298-W305 HydrophobicContact CE2-CZ2 3.95Å; F298-W305 AromaticContact CG-CH2 3.73Å; F298-W305 HydrophobicContact CG-CH2 3.73Å; F298-W305 AromaticContact CG-CZ2 3.81Å; F298-W305 HydrophobicContact CG-CZ2 3.81Å; F298-W305 HydrophobicContact CZ-CH2 4.27Å; F298-W305 AromaticContact CZ-CZ2 3.81Å; F298-W305 HydrophobicContact CZ-CZ2 3.81Å; P303-W305 VanDerWaalsContact C-N 3.25Å; P303-W305 HydrophobicContact CG-CD2 3.99Å; P303-W305 HydrophobicContact CG-CG 4.33Å; P303-W305 HydrophobicContact CG-CH2 4.42Å; P303-W305 HydrophobicContact CG-CZ2 3.59Å; P303-W305 VanDerWaalsContact CG-NE1 3.29Å; P303-W305 PolarHBondContact O-N 3.13Å; P303-W305 VanDerWaalsContact O-N 3.12Å; W305-R307 VanDerWaalsContact C-N 3.32Å; W305-R307 PolarHBondContact O-N 2.86Å; W305-R308 PolarHBondContact O-N 3.38Å; W305-M309 HydrophobicContact CB-CB 4.47Å; W305-M309 HydrophobicContact CB-CG 3.87Å; W305-M309 VanDerWaalsContact O-CB 3.27Å; W305-M309 WeakPolarHBondContact O-CB 3.47Å; W305-M309 PolarHBondContact O-N 2.89Å; W305-V310 HydrophobicContact CE3-CG2 4.21Å; W305-V310 HydrophobicContact CZ3-CG2 4.01Å
306	F	94.2	Very high	91.4	Very high	0 Å²	0	51.5 Å²	51.5	0%	0	28%	0.28	C	S	.	.	G	3₁₀ helix	trans	-55.8	-46.7	-178.8	-174.6	-84.7	0	0	0	111.4	F295 F298 K302 P303 A304 R308 F311	F295-F306 HydrophobicContact CD2-CE2 4.33Å; F295-F306 AromaticContact CD2-CZ 3.82Å; F295-F306 HydrophobicContact CD2-CZ 3.82Å; F295-F306 AromaticContact CE2-CZ 3.9Å; F295-F306 HydrophobicContact CE2-CZ 3.9Å; F298-F306 HydrophobicContact CB-CD2 3.83Å; F298-F306 HydrophobicContact CB-CE2 4.07Å; K302-F306 HydrophobicContact CB-CD1 4.44Å; K302-F306 HydrophobicContact CB-CG 4.48Å; K302-F306 HydrophobicContact CG-CD1 4.08Å; K302-F306 HydrophobicContact CG-CE1 4.04Å; K302-F306 HydrophobicContact CG-CE2 4.47Å; K302-F306 HydrophobicContact CG-CG 4.33Å; K302-F306 HydrophobicContact CG-CZ 4.24Å; P303-F306 HydrophobicContact CG-CB 4.3Å; P303-F306 WeakPolarHBondContact O-CA 3.15Å; P303-F306 WeakPolarHBondContact O-CB 3.29Å; P303-F306 PolarHBondContact O-N 3.4Å; A304-F306 PolarHBondContact O-N 2.95Å; F306-R308 PolarHBondContact O-N 2.87Å; F306-F311 HydrophobicContact CD1-CB 4Å; F306-F311 AromaticContact CD1-CD2 3.86Å; F306-F311 HydrophobicContact CD1-CD2 3.86Å; F306-F311 HydrophobicContact CD1-CG 4.33Å; F306-F311 AromaticContact CD2-CD2 3.64Å; F306-F311 HydrophobicContact CD2-CD2 3.64Å; F306-F311 AromaticContact CD2-CE2 3.98Å; F306-F311 HydrophobicContact CD2-CE2 3.98Å; F306-F311 HydrophobicContact CE1-CB 3.69Å; F306-F311 AromaticContact CE1-CD2 3.54Å; F306-F311 HydrophobicContact CE1-CD2 3.54Å; F306-F311 HydrophobicContact CE1-CE2 4.46Å; F306-F311 AromaticContact CE1-CG 3.82Å; F306-F311 HydrophobicContact CE1-CG 3.82Å; F306-F311 AromaticContact CE2-CD2 3.31Å; F306-F311 HydrophobicContact CE2-CD2 3.31Å; F306-F311 AromaticContact CE2-CE2 3.47Å; F306-F311 HydrophobicContact CE2-CE2 3.47Å; F306-F311 VanDerWaalsContact CE2-CE2 3.47Å; F306-F311 HydrophobicContact CE2-CG 4.3Å; F306-F311 AromaticContact CG-CD2 3.91Å; F306-F311 HydrophobicContact CG-CD2 3.91Å; F306-F311 HydrophobicContact CZ-CB 4.22Å; F306-F311 AromaticContact CZ-CD2 3.26Å; F306-F311 HydrophobicContact CZ-CD2 3.26Å; F306-F311 AromaticContact CZ-CE2 3.75Å; F306-F311 HydrophobicContact CZ-CE2 3.75Å; F306-F311 AromaticContact CZ-CG 3.81Å; F306-F311 HydrophobicContact CZ-CG 3.81Å; F306-F311 WeakPolarHBondContact O-CA 3.37Å; F306-F311 WeakPolarHBondContact O-CB 3.38Å; F306-F311 PolarHBondContact O-N 3.45Å
307	R	88.4	Confident	91.4	Very high	145 Å²	145	44.8 Å²	44.8	55%	0.547	26%	0.261	S	S	.	.	G	3₁₀ helix	trans	-82.1	-7.9	-174.2	-62.8	174	53.3	-170.3	-1.8	114.9	W305 F311	W305-R307 VanDerWaalsContact C-N 3.32Å; W305-R307 PolarHBondContact O-N 2.86Å; R307-F311 CarbonylContact C-O 3.51Å; R307-F311 WeakPolarHBondContact CA-O 3.48Å
308	R	85.3	Confident	91.4	Very high	133 Å²	133	46.7 Å²	46.7	50%	0.502	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	-31.6	-169.2	-166.6	165.4	177.6	137.4	-0.3	113.3	Y30 L34 W305 F306	Y30-R308 VanDerWaalsContact CE1-CZ 3.5Å; L34-R308 HydrophobicContact CD1-CB 4.16Å; L34-R308 HydrophobicContact CD1-CG 4.19Å; W305-R308 PolarHBondContact O-N 3.38Å; F306-R308 PolarHBondContact O-N 2.87Å
309	M	91.4	Very high	91.5	Very high	6 Å²	6	47.1 Å²	47.1	3%	0.03	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.6	-52.2	176.1	-60.2	-63.8	97.8	0	0	110.6	W23 V25 N31 L34 M38 W305	W23-M309 PolarHBondContact NE1-O 2.88Å; V25-M309 HydrophobicContact CG1-SD 4.13Å; N31-M309 HydrophobicContact CB-CE 4Å; N31-M309 WeakPolarHBondContact OD1-CE 3.25Å; L34-M309 HydrophobicContact CB-CE 4.05Å; L34-M309 HydrophobicContact CB-CG 3.93Å; L34-M309 HydrophobicContact CB-SD 3.93Å; L34-M309 HydrophobicContact CD1-CE 3.93Å; M38-M309 HydrophobicContact CE-CB 4.4Å; M38-M309 HydrophobicContact SD-CB 3.88Å; M38-M309 HydrophobicContact SD-CG 4.45Å; W305-M309 HydrophobicContact CB-CB 4.47Å; W305-M309 HydrophobicContact CB-CG 3.87Å; W305-M309 VanDerWaalsContact O-CB 3.27Å; W305-M309 WeakPolarHBondContact O-CB 3.47Å; W305-M309 PolarHBondContact O-N 2.89Å
310	V	94.6	Very high	91.6	Very high	1 Å²	1	44.8 Å²	44.8	1%	0.006	26%	0.262	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-51	-167.1	-171.5	0	0	0	0	113.2	W23 M38 F51 N75 F273 L291 W305	W23-V310 HydrophobicContact CH2-CG1 4.4Å; W23-V310 HydrophobicContact CZ2-CG1 4.3Å; M38-V310 HydrophobicContact SD-CG2 3.47Å; M38-V310 WeakPolarHBondContact SD-CG2 3.48Å; F51-V310 HydrophobicContact CE1-CG2 4.3Å; F51-V310 HydrophobicContact CZ-CG2 4.11Å; N75-V310 WeakPolarHBondContact CB-O 3.34Å; N75-V310 PolarHBondContact ND2-O 2.89Å; F273-V310 VanDerWaalsContact CE1-O 3.26Å; F273-V310 WeakPolarHBondContact CE1-O 3.43Å; L291-V310 HydrophobicContact CD2-CG1 3.64Å; W305-V310 HydrophobicContact CE3-CG2 4.21Å; W305-V310 HydrophobicContact CZ3-CG2 4.01Å
311	F	95.1	Very high	91.5	Very high	3 Å²	3	47.8 Å²	47.8	1%	0.013	25%	0.254	C	S	.	.			trans	-114.2	159.2	-174.7	-57.4	-75.9	0	0	0	112.1	E96 F273 I294 F295 F306 R307 V316 L319	E96-F311 HydrophobicContact CG-CD1 4.45Å; E96-F311 WeakPolarHBondContact OE1-CA 3.47Å; F273-F311 HydrophobicContact CE2-CE1 4.41Å; F273-F311 AromaticContact CZ-CD1 3.71Å; F273-F311 HydrophobicContact CZ-CD1 3.71Å; F273-F311 AromaticContact CZ-CE1 3.78Å; F273-F311 HydrophobicContact CZ-CE1 3.78Å; I294-F311 HydrophobicContact CG2-CE2 4.05Å; F295-F311 HydrophobicContact CB-CE1 4.34Å; F295-F311 HydrophobicContact CB-CE2 4.35Å; F295-F311 HydrophobicContact CB-CZ 3.72Å; F295-F311 HydrophobicContact CD2-CD1 4.36Å; F295-F311 AromaticContact CD2-CE1 3.98Å; F295-F311 HydrophobicContact CD2-CE1 3.98Å; F295-F311 HydrophobicContact CD2-CE2 4.19Å; F295-F311 AromaticContact CD2-CZ 3.88Å; F295-F311 HydrophobicContact CD2-CZ 3.88Å; F295-F311 HydrophobicContact CG-CZ 4.3Å; F306-F311 HydrophobicContact CD1-CB 4Å; F306-F311 AromaticContact CD1-CD2 3.86Å; F306-F311 HydrophobicContact CD1-CD2 3.86Å; F306-F311 HydrophobicContact CD1-CG 4.33Å; F306-F311 AromaticContact CD2-CD2 3.64Å; F306-F311 HydrophobicContact CD2-CD2 3.64Å; F306-F311 AromaticContact CD2-CE2 3.98Å; F306-F311 HydrophobicContact CD2-CE2 3.98Å; F306-F311 HydrophobicContact CE1-CB 3.69Å; F306-F311 AromaticContact CE1-CD2 3.54Å; F306-F311 HydrophobicContact CE1-CD2 3.54Å; F306-F311 HydrophobicContact CE1-CE2 4.46Å; F306-F311 AromaticContact CE1-CG 3.82Å; F306-F311 HydrophobicContact CE1-CG 3.82Å; F306-F311 AromaticContact CE2-CD2 3.31Å; F306-F311 HydrophobicContact CE2-CD2 3.31Å; F306-F311 AromaticContact CE2-CE2 3.47Å; F306-F311 HydrophobicContact CE2-CE2 3.47Å; F306-F311 VanDerWaalsContact CE2-CE2 3.47Å; F306-F311 HydrophobicContact CE2-CG 4.3Å; F306-F311 AromaticContact CG-CD2 3.91Å; F306-F311 HydrophobicContact CG-CD2 3.91Å; F306-F311 HydrophobicContact CZ-CB 4.22Å; F306-F311 AromaticContact CZ-CD2 3.26Å; F306-F311 HydrophobicContact CZ-CD2 3.26Å; F306-F311 AromaticContact CZ-CE2 3.75Å; F306-F311 HydrophobicContact CZ-CE2 3.75Å; F306-F311 AromaticContact CZ-CG 3.81Å; F306-F311 HydrophobicContact CZ-CG 3.81Å; F306-F311 WeakPolarHBondContact O-CA 3.37Å; F306-F311 WeakPolarHBondContact O-CB 3.38Å; F306-F311 PolarHBondContact O-N 3.45Å; R307-F311 CarbonylContact C-O 3.51Å; R307-F311 WeakPolarHBondContact CA-O 3.48Å; F311-V316 HydrophobicContact CB-CG2 4.44Å; F311-L319 HydrophobicContact CD1-CD2 4.33Å; F311-L319 HydrophobicContact CE1-CD1 4.12Å; F311-L319 HydrophobicContact CE1-CD2 3.88Å; F311-L319 HydrophobicContact CE1-CG 4.45Å
312	S	91.6	Very high	91.2	Very high	44 Å²	44	44 Å²	44	31%	0.308	23%	0.231	S	C	.	.	S	Bend	trans	-71.2	-33.6	-177	69.5	0	0	0	0	114.3	E96 N271	E96-S312 PolarHBondContact OE1-N 2.99Å; E96-S312 WeakPolarHBondContact OE2-CB 3.5Å; E96-S312 PolarHBondContact OE2-N 3.28Å; E96-S312 PolarHBondContact OE2-OG 3.2Å; N271-S312 WeakPolarHBondContact ND2-CB 3.17Å
313	S	89.8	Confident	90.7	Very high	26 Å²	26	46.9 Å²	46.9	18%	0.182	25%	0.249	C	C	.	.			trans	-162.8	170.7	-172.8	73.6	0	0	0	0	112.9	N315 V316	S313-N315 PolarHBondContact O-N 3.47Å; S313-N315 PolarHBondContact OG-N 2.87Å; S313-V316 WeakPolarHBondContact O-CG2 3.29Å
314	S	87.5	Confident	89.7	Confident	40 Å²	40	47.7 Å²	47.7	28%	0.28	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-11.5	170.8	46.2	0	0	0	0	113.2	K302 V316	K302-S314 WeakPolarHBondContact CD-O 3.45Å; K302-S314 WeakPolarHBondContact CE-O 3.45Å; K302-S314 PolarHBondContact NZ-O 2.75Å; S314-V316 VanDerWaalsContact C-N 3.35Å
315	N	89.2	Confident	89.4	Confident	90 Å²	90	53.8 Å²	53.8	48%	0.481	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.3	-3.3	-175.4	-59.9	2	0	0	0	112	V98 S313 T317	V98-N315 HydrophobicContact CG1-CB 3.86Å; S313-N315 PolarHBondContact O-N 3.47Å; S313-N315 PolarHBondContact OG-N 2.87Å; N315-T317 PolarHBondContact O-N 3.38Å
316	V	91.8	Very high	89.3	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-61.8	121.6	169.9	-176.7	0	0	0	0	108.3	E96 V98 F295 F311 S313 S314	E96-V316 HydrophobicContact CB-CG1 4.02Å; E96-V316 HydrophobicContact CB-CG2 4.25Å; E96-V316 HydrophobicContact CG-CG1 4.17Å; E96-V316 HydrophobicContact CG-CG2 4.29Å; E96-V316 WeakPolarHBondContact OE2-CG2 3.48Å; V98-V316 HydrophobicContact CG2-CG2 4.42Å; F295-V316 HydrophobicContact CD2-CG1 4.47Å; F295-V316 HydrophobicContact CE2-CB 4.22Å; F295-V316 HydrophobicContact CE2-CG1 3.73Å; F295-V316 HydrophobicContact CZ-CG1 4.38Å; F311-V316 HydrophobicContact CB-CG2 4.44Å; S313-V316 WeakPolarHBondContact O-CG2 3.29Å; S314-V316 VanDerWaalsContact C-N 3.35Å
317	T	91.9	Very high	89.3	Confident	61 Å²	61	55.2 Å²	55.2	37%	0.374	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	-29	-176.7	56.1	0	0	0	0	112.8	K97 E99 A100 F295 N315	K97-T317 PolarHBondContact O-N 2.87Å; K97-T317 PolarHBondContact O-OG1 2.61Å; E99-T317 PolarHBondContact N-OG1 3.11Å; A100-T317 PolarHBondContact N-OG1 3.14Å; F295-T317 WeakPolarHBondContact CE1-O 3.35Å; F295-T317 VanDerWaalsContact CZ-O 3.24Å; F295-T317 WeakPolarHBondContact CZ-O 3.32Å; N315-T317 PolarHBondContact O-N 3.38Å
318	T	93.6	Very high	89.7	Confident	60 Å²	60	51.2 Å²	51.2	37%	0.368	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.5	169.2	177.4	-169.8	0	0	0	0	111.6	K97	K97-T318 HydrophobicContact CB-CG2 3.7Å; K97-T318 HydrophobicContact CD-CG2 3.9Å; K97-T318 HydrophobicContact CG-CG2 4.14Å; K97-T318 PolarHBondContact N-O 2.79Å; K97-T318 PolarHBondContact O-N 3.37Å
319	L	94.3	Very high	90.3	Very high	13 Å²	13	46.1 Å²	46.1	7%	0.068	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	136	171.1	-62.5	-175.8	0	0	0	110	Y95 E96 F273 L291 F295 F311	Y95-L319 CarbonylContact O-C 3.53Å; Y95-L319 WeakPolarHBondContact O-CA 3.14Å; E96-L319 HydrophobicContact CG-CD2 4.22Å; F273-L319 HydrophobicContact CE2-CD2 3.85Å; L291-L319 HydrophobicContact CB-CD1 3.96Å; F295-L319 HydrophobicContact CB-CD1 4.23Å; F295-L319 HydrophobicContact CG-CG 4.45Å; F311-L319 HydrophobicContact CD1-CD2 4.33Å; F311-L319 HydrophobicContact CE1-CD1 4.12Å; F311-L319 HydrophobicContact CE1-CD2 3.88Å; F311-L319 HydrophobicContact CE1-CG 4.45Å
320	G	92.8	Very high	90.6	Very high	3 Å²	3	51 Å²	51	3%	0.031	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	147.1	178.5	0	0	0	0	0	112.9	T94 Y95	T94-G320 PolarHBondContact OG1-O 3.14Å; Y95-G320 PolarHBondContact O-N 2.83Å
321	E	88.6	Confident	90.6	Very high	143 Å²	143	58 Å²	58	67%	0.668	30%	0.3	S	S	*	.			trans	-89.3	151.8	178	-64.3	-172.4	-180	0	0	112.2	Y95	Y95-E321 WeakPolarHBondContact CE1-O 3.35Å; Y95-E321 PolarHBondContact OH-O 3.32Å
322	T	86.3	Confident	90.7	Very high	1 Å²	1	58 Å²	58	1%	0.006	30%	0.3	C	S	.	.			trans	-119.4	20.4	178.6	51.1	0	0	0	0	111.9	A93 Y95 R288 G324 R325 F327	A93-T322 VanDerWaalsContact O-CG2 3.27Å; A93-T322 WeakPolarHBondContact O-CG2 3.41Å; A93-T322 PolarHBondContact O-OG1 3.29Å; Y95-T322 HydrophobicContact CD1-CG2 4.24Å; Y95-T322 HydrophobicContact CE1-CG2 4.13Å; R288-T322 PolarHBondContact NE-OG1 2.91Å; R288-T322 PolarHBondContact NH2-OG1 2.68Å; T322-G324 VanDerWaalsContact C-N 3.31Å; T322-G324 PolarHBondContact O-N 2.87Å; T322-R325 WeakPolarHBondContact CB-O 3.35Å; T322-R325 PolarHBondContact O-N 2.87Å; T322-R325 VanDerWaalsContact O-N 3.09Å; T322-R325 PolarHBondContact OG1-O 3.24Å; T322-F327 VanDerWaalsContact CA-CZ 3.5Å; T322-F327 HydrophobicContact CG2-CD1 4.37Å; T322-F327 HydrophobicContact CG2-CD2 3.84Å; T322-F327 HydrophobicContact CG2-CE1 4.35Å; T322-F327 HydrophobicContact CG2-CE2 3.82Å; T322-F327 HydrophobicContact CG2-CG 4.13Å; T322-F327 HydrophobicContact CG2-CZ 4.1Å; T322-F327 WeakPolarHBondContact O-CE1 3.47Å
323	N	81.6	Confident	90.9	Very high	122 Å²	122	56.2 Å²	56.2	65%	0.652	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	51	45.9	178.6	-56.9	-3.5	0	0	0	112.8	R325	N323-R325 PolarHBondContact O-N 2.73Å
324	G	71.5	Confident	91.1	Very high	46 Å²	46	56.3 Å²	56.3	47%	0.474	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	70.7	-5.4	179.9	0	0	0	0	0	115.7	T322	T322-G324 VanDerWaalsContact C-N 3.31Å; T322-G324 PolarHBondContact O-N 2.87Å
325	R	84.3	Confident	91.2	Very high	192 Å²	192	59.3 Å²	59.3	73%	0.725	31%	0.312	S	S	*	.	S	Bend	trans	-111	165	176.8	-62.7	-176.6	-177.7	179.5	1.6	109.8	T322 N323	T322-R325 WeakPolarHBondContact CB-O 3.35Å; T322-R325 PolarHBondContact O-N 2.87Å; T322-R325 VanDerWaalsContact O-N 3.09Å; T322-R325 PolarHBondContact OG1-O 3.24Å; N323-R325 PolarHBondContact O-N 2.73Å
326	S	91.2	Very high	91.1	Very high	10 Å²	10	57.6 Å²	57.6	7%	0.07	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-90	148.9	166.4	49.8	0	0	0	0	110.1	R91 V92 I284	R91-S326 PolarHBondContact NE-OG 3.46Å; R91-S326 PolarHBondContact NH2-O 3.04Å; V92-S326 CarbonylContact O-C 3.56Å; V92-S326 WeakPolarHBondContact O-CA 3.47Å; V92-S326 VanDerWaalsContact O-CB 3.28Å; V92-S326 WeakPolarHBondContact O-CB 3.46Å; I284-S326 WeakPolarHBondContact CD1-OG 3.42Å
327	F	95.3	Very high	91.1	Very high	21 Å²	21	57.8 Å²	57.8	9%	0.092	30%	0.304	C	S	.	.	B	Isolated β-bridge	trans	-92	149.6	176	-65.3	-14.5	0	0	0	111.4	R91 V92 Y95 T322 R331	R91-F327 CarbonylContact C-O 3.27Å; R91-F327 WeakPolarHBondContact CA-O 3.31Å; V92-F327 HydrophobicContact CB-CB 4.27Å; V92-F327 PolarHBondContact N-O 3.12Å; V92-F327 PolarHBondContact O-N 3.41Å; Y95-F327 HydrophobicContact CE1-CE2 4.38Å; T322-F327 VanDerWaalsContact CA-CZ 3.5Å; T322-F327 HydrophobicContact CG2-CD1 4.37Å; T322-F327 HydrophobicContact CG2-CD2 3.84Å; T322-F327 HydrophobicContact CG2-CE1 4.35Å; T322-F327 HydrophobicContact CG2-CE2 3.82Å; T322-F327 HydrophobicContact CG2-CG 4.13Å; T322-F327 HydrophobicContact CG2-CZ 4.1Å; T322-F327 WeakPolarHBondContact O-CE1 3.47Å; F327-R331 HydrophobicContact CB-CB 4.38Å; F327-R331 HydrophobicContact CB-CG 4.37Å; F327-R331 HydrophobicContact CD1-CG 4.48Å; F327-R331 VanDerWaalsContact CE1-CZ 3.43Å; F327-R331 HydrophobicContact CG-CG 4.22Å
328	T	96.7	Very high	91.1	Very high	60 Å²	60	55.1 Å²	55.1	37%	0.368	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-72.8	156.9	163.2	60.5	0	0	0	0	109.3	K330 R331 Y332	T328-K330 PolarHBondContact O-N 3.3Å; T328-R331 PolarHBondContact O-N 2.89Å; T328-R331 VanDerWaalsContact O-N 3.14Å; T328-R331 WeakPolarHBondContact OG1-CB 3.13Å; T328-R331 PolarHBondContact OG1-N 3.44Å; T328-Y332 PolarHBondContact O-N 2.9Å
329	Y	97.1	Very high	90.7	Very high	26 Å²	26	56.9 Å²	56.9	10%	0.102	29%	0.287	C	S	.	.	H	α-helix	trans	-57.2	-38.4	175.8	75.6	-81.7	0	0	0	112.3	Y82 G85 R86 Y332 L333 V338	Y82-Y329 HydrophobicContact CD2-CD2 4Å; Y82-Y329 AromaticContact CD2-CE2 3.76Å; Y82-Y329 HydrophobicContact CD2-CE2 3.76Å; Y82-Y329 HydrophobicContact CE2-CE2 4.06Å; G85-Y329 VanDerWaalsContact C-CD1 3.44Å; G85-Y329 VanDerWaalsContact CA-CD1 3.45Å; R86-Y329 HydrophobicContact CB-CE2 4.35Å; R86-Y329 WeakPolarHBondContact CD-OH 3.18Å; Y329-Y332 PolarHBondContact O-N 2.96Å; Y329-L333 HydrophobicContact CD2-CD1 4.38Å; Y329-L333 VanDerWaalsContact O-CB 3.31Å; Y329-L333 WeakPolarHBondContact O-CB 3.16Å; Y329-L333 WeakPolarHBondContact O-CG 3.47Å; Y329-L333 PolarHBondContact O-N 2.67Å; Y329-V338 HydrophobicContact CD2-CG2 3.99Å; Y329-V338 HydrophobicContact CE2-CG1 4Å; Y329-V338 HydrophobicContact CE2-CG2 3.99Å
330	K	96.6	Very high	90.3	Very high	108 Å²	108	56.4 Å²	56.4	47%	0.47	29%	0.285	S	S	.	.	H	α-helix	trans	-62.3	-42.9	175.9	-63.7	-167.6	177.1	-172.5	0	112.7	T328 G334 V338	T328-K330 PolarHBondContact O-N 3.3Å; K330-G334 WeakPolarHBondContact O-CA 3.49Å; K330-G334 PolarHBondContact O-N 3.14Å; K330-V338 HydrophobicContact CG-CG1 4.4Å; K330-V338 HydrophobicContact CG-CG2 4.31Å
331	R	95.7	Very high	90	Very high	149 Å²	149	56.3 Å²	56.3	56%	0.562	28%	0.284	S	S	*	.	H	α-helix	trans	-66.5	-40.9	177.5	179.3	174.6	178.1	171.6	0.9	111.4	F327 T328	F327-R331 HydrophobicContact CB-CB 4.38Å; F327-R331 HydrophobicContact CB-CG 4.37Å; F327-R331 HydrophobicContact CD1-CG 4.48Å; F327-R331 VanDerWaalsContact CE1-CZ 3.43Å; F327-R331 HydrophobicContact CG-CG 4.22Å; T328-R331 PolarHBondContact O-N 2.89Å; T328-R331 VanDerWaalsContact O-N 3.14Å; T328-R331 WeakPolarHBondContact OG1-CB 3.13Å; T328-R331 PolarHBondContact OG1-N 3.44Å
332	Y	97.1	Very high	89.7	Confident	4 Å²	4	52.8 Å²	52.8	2%	0.016	27%	0.268	C	S	.	.	H	α-helix	trans	-68.9	-60.5	178.8	176.4	-116.2	0	0	0	111.1	V81 V92 Y95 R269 G270 A272 T328 Y329 G334	V81-Y332 HydrophobicContact CG1-CD1 3.91Å; V81-Y332 HydrophobicContact CG1-CE1 4.45Å; V92-Y332 HydrophobicContact CG1-CD2 4.36Å; V92-Y332 HydrophobicContact CG1-CG 4.36Å; V92-Y332 HydrophobicContact CG2-CD1 4.05Å; V92-Y332 HydrophobicContact CG2-CG 4.07Å; Y95-Y332 WeakPolarHBondContact CB-OH 3.47Å; Y95-Y332 HydrophobicContact CD1-CD2 4.14Å; Y95-Y332 AromaticContact CD1-CE2 3.76Å; Y95-Y332 HydrophobicContact CD1-CE2 3.76Å; Y95-Y332 AromaticContact CD2-CE2 3.78Å; Y95-Y332 HydrophobicContact CD2-CE2 3.78Å; Y95-Y332 HydrophobicContact CE1-CE2 4.44Å; Y95-Y332 HydrophobicContact CE2-CE2 4.42Å; Y95-Y332 HydrophobicContact CG-CD2 4.24Å; Y95-Y332 AromaticContact CG-CE2 3.41Å; Y95-Y332 HydrophobicContact CG-CE2 3.41Å; Y95-Y332 VanDerWaalsContact CG-CE2 3.41Å; R269-Y332 HydrophobicContact CB-CE1 4.18Å; R269-Y332 HydrophobicContact CB-CE2 4.35Å; R269-Y332 WeakPolarHBondContact CD-O 3.23Å; R269-Y332 PolarHBondContact NE-O 3.26Å; G270-Y332 PolarHBondContact O-OH 2.83Å; A272-Y332 HydrophobicContact CB-CD1 4.21Å; A272-Y332 HydrophobicContact CB-CE1 3.62Å; T328-Y332 PolarHBondContact O-N 2.9Å; Y329-Y332 PolarHBondContact O-N 2.96Å; Y332-G334 VanDerWaalsContact C-N 3.33Å; Y332-G334 PolarHBondContact O-N 2.93Å
333	L	96	Very high	89.1	Confident	6 Å²	6	54.1 Å²	54.1	3%	0.031	28%	0.277	C	S	.	.	H	α-helix	trans	-71.4	-26.8	-171.7	-62.9	172.5	0	0	0	113.7	A78 V81 Y329 F337 V338	A78-L333 HydrophobicContact CB-CD2 3.82Å; V81-L333 HydrophobicContact CB-CD1 4.44Å; V81-L333 HydrophobicContact CB-CD2 4.44Å; V81-L333 HydrophobicContact CG1-CD1 4.17Å; V81-L333 HydrophobicContact CG1-CD2 4.37Å; V81-L333 HydrophobicContact CG1-CG 4.24Å; Y329-L333 HydrophobicContact CD2-CD1 4.38Å; Y329-L333 VanDerWaalsContact O-CB 3.31Å; Y329-L333 WeakPolarHBondContact O-CB 3.16Å; Y329-L333 WeakPolarHBondContact O-CG 3.47Å; Y329-L333 PolarHBondContact O-N 2.67Å; L333-F337 HydrophobicContact CB-CB 4.37Å; L333-F337 HydrophobicContact CB-CD1 3.89Å; L333-F337 HydrophobicContact CB-CG 4.41Å; L333-F337 HydrophobicContact CD1-CD1 3.98Å; L333-F337 HydrophobicContact CD1-CE1 4.12Å; L333-F337 HydrophobicContact CD2-CD1 4.11Å; L333-F337 HydrophobicContact CD2-CE1 4.12Å; L333-F337 HydrophobicContact CG-CD1 4.22Å; L333-F337 WeakPolarHBondContact O-CB 3.38Å; L333-V338 HydrophobicContact CB-CG2 4.09Å; L333-V338 HydrophobicContact CD1-CG2 4.34Å
334	G	93.7	Very high	88.1	Confident	27 Å²	27	48.8 Å²	48.8	28%	0.278	25%	0.249	S	C	.	.			trans	85.8	154.5	-172.8	0	0	0	0	0	112.8	K330 Y332 L336 F337 V338	K330-G334 WeakPolarHBondContact O-CA 3.49Å; K330-G334 PolarHBondContact O-N 3.14Å; Y332-G334 VanDerWaalsContact C-N 3.33Å; Y332-G334 PolarHBondContact O-N 2.93Å; G334-L336 PolarHBondContact O-N 3.07Å; G334-F337 PolarHBondContact O-N 3.13Å; G334-V338 WeakPolarHBondContact O-CG2 3.08Å; G334-V338 PolarHBondContact O-N 3.17Å; G334-V338 VanDerWaalsContact O-N 3.11Å
335	S	88.9	Confident	87.6	Confident	103 Å²	103	48.8 Å²	48.8	72%	0.72	24%	0.236	S	C	*	.	H	α-helix	trans	-62.3	-41.6	-173.9	52.6	0	0	0	0	112.9	V338 R339	S335-V338 PolarHBondContact O-N 3.18Å; S335-R339 WeakPolarHBondContact O-CB 3.36Å; S335-R339 PolarHBondContact O-N 3.47Å
336	L	87.6	Confident	86	Confident	54 Å²	54	43.3 Å²	43.3	28%	0.283	23%	0.232	S	C	.	.	H	α-helix	trans	-65.6	-43.8	-178	-169	62.7	0	0	0	111.9	S146 V147 W265 F266 G334 R339 S340	S146-L336 VanDerWaalsContact O-CD1 3.29Å; S146-L336 WeakPolarHBondContact O-CD1 3.36Å; V147-L336 HydrophobicContact CG2-CD1 4.46Å; V147-L336 HydrophobicContact CG2-CD2 4.26Å; W265-L336 VanDerWaalsContact O-CD2 3.23Å; W265-L336 WeakPolarHBondContact O-CD2 3.06Å; F266-L336 HydrophobicContact CD2-CD2 3.82Å; F266-L336 HydrophobicContact CD2-CG 3.81Å; F266-L336 HydrophobicContact CE2-CG 4.03Å; G334-L336 PolarHBondContact O-N 3.07Å; L336-R339 PolarHBondContact O-N 3.13Å; L336-S340 PolarHBondContact O-N 2.79Å
337	F	91.3	Very high	84	Confident	5 Å²	5	44.1 Å²	44.1	2%	0.022	24%	0.237	C	C	.	.	H	α-helix	trans	-64.1	-46	175.5	-172	-85.6	0	0	0	111.4	A78 E79 M139 F266 R268 L333 G334 R339 S340 M341	A78-F337 HydrophobicContact CB-CE1 4Å; A78-F337 HydrophobicContact CB-CE2 4.2Å; A78-F337 HydrophobicContact CB-CZ 3.56Å; E79-F337 HydrophobicContact CG-CZ 4.45Å; M139-F337 HydrophobicContact SD-CE2 4.49Å; F266-F337 HydrophobicContact CE1-CD2 4.02Å; F266-F337 HydrophobicContact CE1-CE2 4.45Å; F266-F337 HydrophobicContact CZ-CB 4.35Å; F266-F337 AromaticContact CZ-CD2 3.68Å; F266-F337 HydrophobicContact CZ-CD2 3.68Å; F266-F337 HydrophobicContact CZ-CE2 4.39Å; F266-F337 HydrophobicContact CZ-CG 4.33Å; R268-F337 HydrophobicContact CB-CE2 4.04Å; R268-F337 HydrophobicContact CG-CE2 3.83Å; R268-F337 HydrophobicContact CG-CZ 4.35Å; L333-F337 HydrophobicContact CB-CB 4.37Å; L333-F337 HydrophobicContact CB-CD1 3.89Å; L333-F337 HydrophobicContact CB-CG 4.41Å; L333-F337 HydrophobicContact CD1-CD1 3.98Å; L333-F337 HydrophobicContact CD1-CE1 4.12Å; L333-F337 HydrophobicContact CD2-CD1 4.11Å; L333-F337 HydrophobicContact CD2-CE1 4.12Å; L333-F337 HydrophobicContact CG-CD1 4.22Å; L333-F337 WeakPolarHBondContact O-CB 3.38Å; G334-F337 PolarHBondContact O-N 3.13Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-R339 PolarHBondContact O-N 2.9Å; F337-S340 WeakPolarHBondContact O-CB 3.16Å; F337-S340 PolarHBondContact O-N 3.32Å; F337-S340 PolarHBondContact O-OG 3.22Å; F337-M341 HydrophobicContact CD1-CG 4.35Å; F337-M341 HydrophobicContact CE1-CG 4.08Å; F337-M341 HydrophobicContact CE1-SD 4.35Å; F337-M341 PolarHBondContact O-N 3.06Å
338	V	92.1	Very high	82.2	Confident	5 Å²	5	48.6 Å²	48.6	3%	0.03	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-41.9	176.7	169.9	0	0	0	0	111.5	Y82 Y329 K330 L333 G334 S335 S340 M341 E342	Y82-V338 HydrophobicContact CD2-CG1 4.28Å; Y82-V338 HydrophobicContact CD2-CG2 4.41Å; Y82-V338 HydrophobicContact CE2-CG1 4.1Å; Y329-V338 HydrophobicContact CD2-CG2 3.99Å; Y329-V338 HydrophobicContact CE2-CG1 4Å; Y329-V338 HydrophobicContact CE2-CG2 3.99Å; K330-V338 HydrophobicContact CG-CG1 4.4Å; K330-V338 HydrophobicContact CG-CG2 4.31Å; L333-V338 HydrophobicContact CB-CG2 4.09Å; L333-V338 HydrophobicContact CD1-CG2 4.34Å; G334-V338 WeakPolarHBondContact O-CG2 3.08Å; G334-V338 PolarHBondContact O-N 3.17Å; G334-V338 VanDerWaalsContact O-N 3.11Å; S335-V338 PolarHBondContact O-N 3.18Å; V338-S340 VanDerWaalsContact C-N 3.32Å; V338-S340 PolarHBondContact O-N 3.28Å; V338-M341 WeakPolarHBondContact O-CB 3.48Å; V338-M341 PolarHBondContact O-N 3.46Å; V338-E342 HydrophobicContact CG1-CG 4.32Å; V338-E342 WeakPolarHBondContact CG1-OE1 2.87Å; V338-E342 PolarHBondContact O-N 3.08Å; V338-E342 VanDerWaalsContact O-N 3.11Å
339	R	85.3	Confident	80.6	Confident	96 Å²	96	51.1 Å²	51.1	36%	0.362	28%	0.283	S	S	.	.	H	α-helix	trans	-62.3	-38.5	177.5	-165.9	172.1	-170.3	-167.4	-6.3	112.2	P150 S335 L336 F337 M341 E342 S343	P150-R339 VanDerWaalsContact CA-NH2 3.33Å; P150-R339 VanDerWaalsContact CB-NH1 3.34Å; P150-R339 PolarHBondContact O-NH1 3.34Å; P150-R339 PolarHBondContact O-NH2 3.3Å; S335-R339 WeakPolarHBondContact O-CB 3.36Å; S335-R339 PolarHBondContact O-N 3.47Å; L336-R339 PolarHBondContact O-N 3.13Å; F337-R339 VanDerWaalsContact C-N 3.3Å; F337-R339 PolarHBondContact O-N 2.9Å; R339-M341 PolarHBondContact O-N 3.1Å; R339-E342 PolarHBondContact O-N 3.19Å; R339-S343 PolarHBondContact O-N 3.36Å
340	S	85.7	Confident	79.2	Confident	4 Å²	4	50.8 Å²	50.8	3%	0.028	28%	0.284	C	S	.	.	H	α-helix	trans	-56.9	-30.6	173.3	82.8	0	0	0	0	112.9	S146 L336 F337 V338	S146-S340 WeakPolarHBondContact OG-CB 3.4Å; L336-S340 PolarHBondContact O-N 2.79Å; F337-S340 WeakPolarHBondContact O-CB 3.16Å; F337-S340 PolarHBondContact O-N 3.32Å; F337-S340 PolarHBondContact O-OG 3.22Å; V338-S340 VanDerWaalsContact C-N 3.32Å; V338-S340 PolarHBondContact O-N 3.28Å
341	M	87.7	Confident	77.7	Confident	1 Å²	1	48.7 Å²	48.7	1%	0.005	28%	0.277	C	S	.	.	H	α-helix	trans	-85.8	-29.5	179.7	-58.8	-67.1	-72.2	0	0	113	E79 Y82 F337 V338 R339 A374 R377 K379	E79-M341 HydrophobicContact CB-CE 4.01Å; E79-M341 HydrophobicContact CG-CE 3.99Å; E79-M341 HydrophobicContact CG-SD 4.17Å; Y82-M341 HydrophobicContact CD1-CB 3.65Å; Y82-M341 HydrophobicContact CD1-CE 3.43Å; Y82-M341 VanDerWaalsContact CD1-CE 3.43Å; Y82-M341 HydrophobicContact CD1-CG 3.87Å; Y82-M341 HydrophobicContact CD1-SD 4.5Å; Y82-M341 HydrophobicContact CD2-CB 3.8Å; Y82-M341 HydrophobicContact CD2-CG 4.06Å; Y82-M341 HydrophobicContact CE1-CB 3.51Å; Y82-M341 HydrophobicContact CE1-CE 4.05Å; Y82-M341 HydrophobicContact CE1-CG 4.25Å; Y82-M341 HydrophobicContact CE2-CB 3.67Å; Y82-M341 HydrophobicContact CE2-CG 4.44Å; Y82-M341 HydrophobicContact CG-CB 3.79Å; Y82-M341 HydrophobicContact CG-CE 4.06Å; Y82-M341 HydrophobicContact CG-CG 3.76Å; F337-M341 HydrophobicContact CD1-CG 4.35Å; F337-M341 HydrophobicContact CE1-CG 4.08Å; F337-M341 HydrophobicContact CE1-SD 4.35Å; F337-M341 PolarHBondContact O-N 3.06Å; V338-M341 WeakPolarHBondContact O-CB 3.48Å; V338-M341 PolarHBondContact O-N 3.46Å; R339-M341 PolarHBondContact O-N 3.1Å; M341-A374 WeakPolarHBondContact CE-O 3.05Å; M341-R377 HydrophobicContact CE-CG 4.2Å; M341-R377 HydrophobicContact SD-CG 3.47Å; M341-R377 WeakPolarHBondContact SD-CG 3.31Å; M341-R377 PolarHBondContact SD-NE 2.88Å; M341-R377 PolarHBondContact SD-NH2 2.9Å; M341-R377 VanDerWaalsContact SD-NH2 3.4Å; M341-K379 VanDerWaalsContact O-CE 3.29Å; M341-K379 WeakPolarHBondContact O-CE 3.39Å; M341-K379 PolarHBondContact O-NZ 3.33Å
342	E	83	Confident	76.2	Confident	69 Å²	69	45.1 Å²	45.1	32%	0.322	27%	0.274	S	S	.	.	H	α-helix	trans	-85.8	-46	-172.6	-74.9	177.1	174.2	0	0	112.8	Y82 V338 R339 K379	Y82-E342 HydrophobicContact CE2-CG 3.79Å; Y82-E342 WeakPolarHBondContact OH-CG 3.42Å; V338-E342 HydrophobicContact CG1-CG 4.32Å; V338-E342 WeakPolarHBondContact CG1-OE1 2.87Å; V338-E342 PolarHBondContact O-N 3.08Å; V338-E342 VanDerWaalsContact O-N 3.11Å; R339-E342 PolarHBondContact O-N 3.19Å; E342-K379 VanDerWaalsContact C-NZ 3.3Å; E342-K379 VanDerWaalsContact O-CE 3.23Å; E342-K379 WeakPolarHBondContact O-CE 3.24Å; E342-K379 PolarHBondContact O-NZ 3.29Å
343	S	72.3	Confident	75.1	Confident	29 Å²	29	48.2 Å²	48.2	20%	0.203	30%	0.296	C	S	.	.			trans	174.6	132.7	167.8	178	0	0	0	0	109.1	R339 F345	R339-S343 PolarHBondContact O-N 3.36Å; S343-F345 PolarHBondContact OG-N 2.7Å; S343-F345 VanDerWaalsContact OG-N 3.14Å; S343-F345 PolarHBondContact OG-O 3.13Å; S343-F345 VanDerWaalsContact OG-O 3.11Å
344	P	60.7	Low	74.6	Confident	10 Å²	10	50 Å²	50	7%	0.065	31%	0.307	C	S	.	.	S	Bend	trans	-78	-22.8	169.6	32.3	-34.1	0	0	0	112.3	I145 L149 P164 A346	I145-P344 HydrophobicContact CB-CB 4.46Å; I145-P344 HydrophobicContact CD1-CG 4.45Å; I145-P344 WeakPolarHBondContact O-CB 3.41Å; L149-P344 WeakPolarHBondContact CB-O 3.47Å; L149-P344 HydrophobicContact CD1-CB 4.01Å; L149-P344 HydrophobicContact CD1-CG 4.46Å; P164-P344 HydrophobicContact CG-CG 4.23Å; P344-A346 PolarHBondContact O-N 3.02Å
345	F	62.1	Low	74.5	Confident	45 Å²	45	49 Å²	49	20%	0.197	30%	0.295	C	S	.	.			trans	-80.1	115.4	179.1	-57.9	-64.8	0	0	0	109.9	L149 V159 P164 S343 S347	L149-F345 HydrophobicContact CD1-CD1 4.17Å; L149-F345 HydrophobicContact CD1-CE1 4Å; V159-F345 HydrophobicContact CG1-CD1 3.47Å; V159-F345 VanDerWaalsContact CG1-CD1 3.47Å; V159-F345 HydrophobicContact CG1-CE1 3.39Å; P164-F345 HydrophobicContact CB-CZ 4.05Å; P164-F345 HydrophobicContact CG-CE1 4.37Å; P164-F345 HydrophobicContact CG-CE2 3.76Å; P164-F345 HydrophobicContact CG-CZ 3.49Å; P164-F345 VanDerWaalsContact CG-CZ 3.49Å; S343-F345 PolarHBondContact OG-N 2.7Å; S343-F345 VanDerWaalsContact OG-N 3.14Å; S343-F345 PolarHBondContact OG-O 3.13Å; S343-F345 VanDerWaalsContact OG-O 3.11Å; F345-S347 PolarHBondContact O-N 2.96Å
346	A	49.9	Very low	74.8	Confident	78 Å²	78	47.2 Å²	47.2	65%	0.645	27%	0.273	S	S	*	.			trans	-74.2	-13.6	175.8	0	0	0	0	0	113.4	P344	P344-A346 PolarHBondContact O-N 3.02Å
347	S	50.1	Low	75.2	Confident	26 Å²	26	44.7 Å²	44.7	18%	0.182	26%	0.26	C	S	.	.			trans	-111.1	145.7	-164.4	65.9	0	0	0	0	114.9	F345 N349	F345-S347 PolarHBondContact O-N 2.96Å; S347-N349 PolarHBondContact O-N 3.46Å
348	S	56.6	Low	75.4	Confident	116 Å²	116	44.7 Å²	44.7	81%	0.811	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65	-7.4	167.1	50.1	0	0	0	0	115.1	C350	S348-C350 VanDerWaalsContact C-N 3.33Å; S348-C350 PolarHBondContact O-N 3.39Å
349	N	62.3	Low	75.6	Confident	112 Å²	112	44.7 Å²	44.7	60%	0.599	26%	0.26	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	-26.8	-173.4	-69.7	4	0	0	0	113.8	S347	S347-N349 PolarHBondContact O-N 3.46Å
350	C	69.5	Low	75.7	Confident	20 Å²	20	43.3 Å²	43.3	14%	0.135	26%	0.262	C	S	.	.	S	Bend	trans	-94.8	163.9	170.8	-59.2	0	0	0	0	109.7	C161 S348	C161-C350 WeakPolarHBondContact CA-SG 3.39Å; C161-C350 HydrophobicContact CB-CB 3.85Å; C161-C350 WeakPolarHBondContact CB-SG 3.22Å; C161-C350 WeakPolarHBondContact SG-CA 3.04Å; C161-C350 WeakPolarHBondContact SG-CB 3.06Å; C161-C350 CovalentContact SG-SG 2.05Å; C161-C350 PolarHBondContact SG-SG 3.3Å; S348-C350 VanDerWaalsContact C-N 3.33Å; S348-C350 PolarHBondContact O-N 3.39Å
351	L	63.8	Low	75.6	Confident	63 Å²	63	45.4 Å²	45.4	33%	0.33	28%	0.28	S	S	.	.	S	Bend	trans	-35.6	150.6	176.8	-90.2	156.4	0	0	0	115.1	S353 V595 R598	L351-S353 PolarHBondContact O-N 3.16Å; L351-V595 HydrophobicContact CD2-CB 3.87Å; L351-V595 HydrophobicContact CD2-CG1 3.64Å; L351-V595 HydrophobicContact CD2-CG2 3.61Å; L351-V595 HydrophobicContact CG-CG2 4.44Å; L351-R598 HydrophobicContact CD1-CB 3.26Å; L351-R598 HydrophobicContact CD1-CG 3.29Å
352	P	64.5	Low	75.4	Confident	75 Å²	75	49.6 Å²	49.6	49%	0.487	30%	0.298	S	S	.	.			trans	-49	132.8	177.2	-24.2	32.6	0	0	0	110.7	T354 P380	P352-T354 WeakPolarHBondContact CB-O 3.29Å; P352-T354 PolarHBondContact O-N 3.21Å; P352-P380 VanDerWaalsContact O-CB 3.23Å; P352-P380 WeakPolarHBondContact O-CB 3.35Å
353	S	73.2	Confident	75.6	Confident	69 Å²	69	48.1 Å²	48.1	48%	0.483	29%	0.291	S	S	.	.	S	Bend	trans	-61.4	-15.7	177.8	54.6	0	0	0	0	113.1	L351 P380 T381	L351-S353 PolarHBondContact O-N 3.16Å; S353-P380 CarbonylContact O-C 3.5Å; S353-P380 WeakPolarHBondContact O-CA 3.44Å; S353-P380 WeakPolarHBondContact O-CB 3.33Å; S353-T381 PolarHBondContact O-N 2.89Å; S353-T381 PolarHBondContact O-OG1 2.91Å
354	T	86.8	Confident	76.3	Confident	43 Å²	43	56 Å²	56	26%	0.264	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	138.7	-173.9	-51	0	0	0	0	109.8	P352 T381 E383	P352-T354 WeakPolarHBondContact CB-O 3.29Å; P352-T354 PolarHBondContact O-N 3.21Å; T354-T381 CarbonylContact C-O 3.23Å; T354-T381 WeakPolarHBondContact CA-O 3.34Å; T354-T381 PolarHBondContact OG1-OG1 3.37Å; T354-E383 HydrophobicContact CG2-CB 3.62Å
355	V	91.6	Very high	77.7	Confident	5 Å²	5	55.8 Å²	55.8	3%	0.03	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	120.4	174.5	167.1	0	0	0	0	109	P380 T381 L382 E383 D403 I404 L599 M602	V355-P380 HydrophobicContact CB-CG 4.32Å; V355-P380 HydrophobicContact CG2-CB 3.83Å; V355-P380 HydrophobicContact CG2-CG 3.24Å; V355-T381 PolarHBondContact N-O 3.27Å; V355-L382 HydrophobicContact CB-CD1 4.48Å; V355-L382 HydrophobicContact CG1-CD1 4.22Å; V355-E383 PolarHBondContact O-N 3.34Å; V355-D403 HydrophobicContact CG1-CB 4.16Å; V355-I404 HydrophobicContact CG1-CD1 3.67Å; V355-I404 HydrophobicContact CG1-CG1 3.68Å; V355-L599 HydrophobicContact CB-CD2 4.3Å; V355-L599 HydrophobicContact CG1-CD2 3.91Å; V355-L599 HydrophobicContact CG2-CD2 3.33Å; V355-M602 HydrophobicContact CG2-SD 4.35Å
356	R	94.6	Very high	79.2	Confident	67 Å²	67	53.6 Å²	53.6	25%	0.253	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	110.8	177.7	-63.7	165.5	-62.1	167.6	5.2	109.5	E383 Q385 D400 R401 D403 I404	R356-E383 CarbonylContact C-O 3.58Å; R356-E383 WeakPolarHBondContact CA-O 3.25Å; R356-Q385 HydrophobicContact CB-CG 4.49Å; R356-D400 VanDerWaalsContact CZ-O 3.23Å; R356-D400 PolarHBondContact NH1-O 3.02Å; R356-D400 PolarHBondContact NH2-O 2.76Å; R356-R401 WeakPolarHBondContact CD-O 3.4Å; R356-R401 VanDerWaalsContact NH1-C 3.29Å; R356-R401 PolarHBondContact NH1-O 3.14Å; R356-R401 VanDerWaalsContact NH1-O 3.08Å; R356-D403 VanDerWaalsContact CB-OD2 3.29Å; R356-D403 WeakPolarHBondContact CB-OD2 3.27Å; R356-D403 IonicContact CZ-OD1 2.85Å; R356-D403 IonicContact CZ-OD2 2.95Å; R356-D403 PolarHBondContact N-OD2 3.2Å; R356-D403 IonicContact NE-OD1 3.53Å; R356-D403 IonicContact NE-OD2 2.89Å; R356-D403 PolarHBondContact NE-OD2 3.38Å; R356-D403 IonicContact NH2-OD1 2.88Å; R356-D403 PolarHBondContact NH2-OD1 3.28Å; R356-D403 IonicContact NH2-OD2 3.13Å; R356-D403 PolarHBondContact O-N 3.09Å; R356-I404 PolarHBondContact O-N 2.95Å; R356-I404 VanDerWaalsContact O-N 3.14Å
357	F	95.7	Very high	81.2	Confident	1 Å²	1	54 Å²	54	0%	0.004	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	104.1	-176.6	-164.5	175.3	0	0	0	110.7	L359 L382 E383 Q385 I404 L406 V585 L631	F357-L359 HydrophobicContact CD2-CD2 3.77Å; F357-L359 HydrophobicContact CD2-CG 4.19Å; F357-L359 HydrophobicContact CE1-CD2 4.37Å; F357-L359 HydrophobicContact CE2-CD2 3.6Å; F357-L359 HydrophobicContact CE2-CG 4.5Å; F357-L359 HydrophobicContact CG-CD2 4.28Å; F357-L359 HydrophobicContact CG-CG 4.39Å; F357-L359 HydrophobicContact CZ-CD2 3.93Å; F357-L382 HydrophobicContact CB-CD1 3.74Å; F357-L382 HydrophobicContact CB-CG 4.35Å; F357-L382 HydrophobicContact CD1-CD1 3.84Å; F357-L382 HydrophobicContact CD1-CD2 4.12Å; F357-L382 HydrophobicContact CD1-CG 4.38Å; F357-L382 HydrophobicContact CG-CD1 4.25Å; F357-E383 PolarHBondContact N-O 3.09Å; F357-Q385 PolarHBondContact O-N 3.36Å; F357-I404 CarbonylContact C-O 3.58Å; F357-I404 WeakPolarHBondContact CA-O 3.49Å; F357-I404 HydrophobicContact CB-CD1 4.12Å; F357-I404 HydrophobicContact CB-CG1 3.92Å; F357-I404 HydrophobicContact CD1-CD1 3.89Å; F357-I404 HydrophobicContact CD1-CG1 4.45Å; F357-I404 HydrophobicContact CD2-CB 4.41Å; F357-I404 HydrophobicContact CD2-CD1 3.83Å; F357-I404 HydrophobicContact CD2-CG1 3.58Å; F357-I404 HydrophobicContact CE1-CD1 4.13Å; F357-I404 HydrophobicContact CE2-CD1 4.06Å; F357-I404 HydrophobicContact CE2-CG1 4.09Å; F357-I404 HydrophobicContact CG-CD1 3.71Å; F357-I404 HydrophobicContact CG-CG1 3.76Å; F357-I404 HydrophobicContact CZ-CD1 4.21Å; F357-L406 HydrophobicContact CE2-CB 3.94Å; F357-L406 HydrophobicContact CZ-CB 4.15Å; F357-V585 HydrophobicContact CE2-CG1 4.33Å; F357-V585 HydrophobicContact CZ-CG1 4.3Å; F357-V585 HydrophobicContact CZ-CG2 4.22Å; F357-L631 HydrophobicContact CE1-CD2 3.88Å
358	C	96.7	Very high	83.2	Confident	5 Å²	5	53.3 Å²	53.3	3%	0.034	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	129.2	177.3	-168.1	0	0	0	0	112.2	Q385 C393 S402 I404 A405 L406	C358-Q385 CarbonylContact C-O 3.58Å; C358-Q385 WeakPolarHBondContact CA-O 3.29Å; C358-C393 VanDerWaalsContact C-SG 3.5Å; C358-C393 HydrophobicContact CB-CB 3.77Å; C358-C393 WeakPolarHBondContact CB-SG 3.49Å; C358-C393 WeakPolarHBondContact SG-CA 3.37Å; C358-C393 WeakPolarHBondContact SG-CB 3.47Å; C358-C393 CovalentContact SG-SG 2.05Å; C358-C393 PolarHBondContact SG-SG 3.17Å; C358-S402 WeakPolarHBondContact CB-OG 3.36Å; C358-I404 PolarHBondContact N-O 3.45Å; C358-A405 HydrophobicContact CB-CB 4.09Å; C358-A405 VanDerWaalsContact O-CA 3.26Å; C358-A405 WeakPolarHBondContact O-CA 3.43Å; C358-L406 PolarHBondContact O-N 3.39Å
359	L	94.8	Very high	84.8	Confident	4 Å²	4	47.9 Å²	47.9	2%	0.021	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	137.9	-176.8	-58.2	170.9	0	0	0	110.3	F357 A361 C366 Q385 Q386 A387 L406 L631	F357-L359 HydrophobicContact CD2-CD2 3.77Å; F357-L359 HydrophobicContact CD2-CG 4.19Å; F357-L359 HydrophobicContact CE1-CD2 4.37Å; F357-L359 HydrophobicContact CE2-CD2 3.6Å; F357-L359 HydrophobicContact CE2-CG 4.5Å; F357-L359 HydrophobicContact CG-CD2 4.28Å; F357-L359 HydrophobicContact CG-CG 4.39Å; F357-L359 HydrophobicContact CZ-CD2 3.93Å; L359-A361 VanDerWaalsContact C-N 3.35Å; L359-A361 WeakPolarHBondContact CB-O 3.05Å; L359-C366 HydrophobicContact CD1-CB 3.38Å; L359-C366 VanDerWaalsContact CD1-SG 3.53Å; L359-Q385 PolarHBondContact N-O 3.29Å; L359-Q386 CarbonylContact O-C 3.59Å; L359-Q386 WeakPolarHBondContact O-CA 3.27Å; L359-Q386 PolarHBondContact O-NE2 3.28Å; L359-A387 PolarHBondContact O-N 3.1Å; L359-L406 HydrophobicContact CD2-CB 3.59Å; L359-L406 HydrophobicContact CD2-CD2 4.34Å; L359-L631 HydrophobicContact CD1-CD1 3.5Å; L359-L631 VanDerWaalsContact CD1-CD1 3.5Å; L359-L631 HydrophobicContact CD2-CD1 3.7Å; L359-L631 HydrophobicContact CG-CD1 4.25Å
360	T	88	Confident	86.3	Confident	67 Å²	67	42.7 Å²	42.7	41%	0.411	22%	0.224	S	C	.	.	S	Bend	trans	-80.8	-17.3	175.6	51.3	0	0	0	0	113.5	Q386 A387 R390	T360-Q386 PolarHBondContact O-NE2 2.81Å; T360-A387 CarbonylContact C-O 3.6Å; T360-A387 VanDerWaalsContact CA-O 3.27Å; T360-A387 WeakPolarHBondContact CA-O 3.38Å; T360-R390 HydrophobicContact CG2-CB 4.46Å
361	A	83.3	Confident	87.5	Confident	49 Å²	49	42 Å²	42	41%	0.405	22%	0.218	S	C	.	.	S	Bend	trans	-155.4	-174.3	178.1	0	0	0	0	0	109.1	L359 Q363	L359-A361 VanDerWaalsContact C-N 3.35Å; L359-A361 WeakPolarHBondContact CB-O 3.05Å; A361-Q363 VanDerWaalsContact C-N 3.29Å; A361-Q363 PolarHBondContact O-N 3.21Å
362	K	84.3	Confident	88.7	Confident	88 Å²	88	39 Å²	39	38%	0.383	20%	0.203	S	C	.	.			trans	67.6	23.9	166.7	-53.6	168	157.9	-160.1	0	115.2	R364 K365 C366 T630 L631 F632	K362-R364 VanDerWaalsContact C-N 3.3Å; K362-R364 PolarHBondContact O-N 3.02Å; K362-K365 PolarHBondContact O-N 3.46Å; K362-C366 PolarHBondContact O-N 3.39Å; K362-T630 WeakPolarHBondContact CB-O 3.42Å; K362-T630 WeakPolarHBondContact CD-O 3.48Å; K362-T630 WeakPolarHBondContact CE-O 3.4Å; K362-T630 WeakPolarHBondContact CG-O 3.45Å; K362-L631 HydrophobicContact CB-CD1 4.38Å; K362-L631 WeakPolarHBondContact CD-O 3.36Å; K362-L631 PolarHBondContact NZ-O 2.88Å; K362-F632 PolarHBondContact NZ-O 3.43Å
363	Q	86	Confident	89.9	Confident	38 Å²	38	35.6 Å²	35.6	18%	0.178	18%	0.18	C	C	.	.	H	α-helix	trans	-54.2	-40.4	-179.8	-174.2	67.2	-4.2	0	0	113.9	A361 K365 C366 Q367 C384	A361-Q363 VanDerWaalsContact C-N 3.29Å; A361-Q363 PolarHBondContact O-N 3.21Å; Q363-K365 PolarHBondContact O-N 3.31Å; Q363-C366 WeakPolarHBondContact O-CB 3.35Å; Q363-C366 PolarHBondContact O-N 3Å; Q363-Q367 WeakPolarHBondContact O-CG 3.39Å; Q363-Q367 PolarHBondContact O-N 3.09Å; Q363-C384 PolarHBondContact NE2-O 3.02Å
364	R	87.9	Confident	90.7	Very high	195 Å²	195	32.5 Å²	32.5	74%	0.736	16%	0.159	S	C	*	.	H	α-helix	trans	-59.2	-46.8	-179.9	-70.8	-173.8	-179.6	173.6	0.7	112.1	K362 C366 Q367 S368	K362-R364 VanDerWaalsContact C-N 3.3Å; K362-R364 PolarHBondContact O-N 3.02Å; R364-C366 VanDerWaalsContact C-N 3.35Å; R364-Q367 PolarHBondContact O-N 3.06Å; R364-S368 PolarHBondContact O-N 3.47Å; R364-S368 PolarHBondContact O-OG 2.74Å
365	K	89.5	Confident	90.8	Very high	5 Å²	5	31.5 Å²	31.5	2%	0.022	15%	0.153	C	C	.	.	H	α-helix	trans	-68.4	-36.6	179.4	-172.9	61.5	174.5	-170.9	0	111.3	K362 Q363 Q367 S368 I369 F619 S620 E627 A629 L631	K362-K365 PolarHBondContact O-N 3.46Å; Q363-K365 PolarHBondContact O-N 3.31Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; K365-Q367 PolarHBondContact O-N 3.18Å; K365-S368 PolarHBondContact O-N 3.39Å; K365-I369 HydrophobicContact CG-CD1 4.2Å; K365-I369 VanDerWaalsContact O-CG1 3.29Å; K365-I369 WeakPolarHBondContact O-CG1 3.08Å; K365-I369 PolarHBondContact O-N 3.4Å; K365-F619 HydrophobicContact CD-CZ 4.34Å; K365-S620 WeakPolarHBondContact CE-O 3.5Å; K365-S620 PolarHBondContact NZ-O 2.04Å; K365-E627 IonicContact NZ-OE1 3.67Å; K365-E627 PolarHBondContact NZ-OE1 3.28Å; K365-E627 VanDerWaalsContact NZ-OE1 3.14Å; K365-E627 IonicContact NZ-OE2 2.81Å; K365-E627 PolarHBondContact NZ-OE2 3.14Å; K365-A629 HydrophobicContact CB-CB 4.31Å; K365-A629 WeakPolarHBondContact CD-O 3.38Å; K365-A629 WeakPolarHBondContact CG-O 3.33Å; K365-L631 HydrophobicContact CB-CB 4.26Å; K365-L631 HydrophobicContact CG-CB 3.91Å
366	C	93.3	Very high	90.5	Very high	0 Å²	0	32 Å²	32	0%	0	16%	0.155	C	C	.	.	H	α-helix	trans	-59.7	-44.9	172.6	-176.1	0	0	0	0	111.9	L359 K362 Q363 R364 S368 I369 A370 C384 L631	L359-C366 HydrophobicContact CD1-CB 3.38Å; L359-C366 VanDerWaalsContact CD1-SG 3.53Å; K362-C366 PolarHBondContact O-N 3.39Å; Q363-C366 WeakPolarHBondContact O-CB 3.35Å; Q363-C366 PolarHBondContact O-N 3Å; R364-C366 VanDerWaalsContact C-N 3.35Å; C366-S368 VanDerWaalsContact C-N 3.32Å; C366-S368 PolarHBondContact O-N 3.13Å; C366-I369 WeakPolarHBondContact O-CB 3.38Å; C366-I369 PolarHBondContact O-N 2.82Å; C366-I369 VanDerWaalsContact O-N 3.17Å; C366-A370 PolarHBondContact O-N 3.27Å; C366-C384 HydrophobicContact CB-CB 3.76Å; C366-C384 WeakPolarHBondContact CB-SG 3.49Å; C366-C384 PolarHBondContact O-SG 3.45Å; C366-C384 VanDerWaalsContact O-SG 3.33Å; C366-C384 WeakPolarHBondContact SG-CB 3.48Å; C366-C384 CovalentContact SG-SG 2.03Å; C366-C384 PolarHBondContact SG-SG 3.28Å; C366-L631 HydrophobicContact CB-CD1 4.24Å
367	Q	92.4	Very high	90.1	Very high	85 Å²	85	29.3 Å²	29.3	40%	0.397	15%	0.145	S	C	.	.	H	α-helix	trans	-61.6	-40.6	176	-71.4	172.5	-18.6	0	0	111.8	Q363 R364 K365 I369 A370 M371 C384	Q363-Q367 WeakPolarHBondContact O-CG 3.39Å; Q363-Q367 PolarHBondContact O-N 3.09Å; R364-Q367 PolarHBondContact O-N 3.06Å; K365-Q367 VanDerWaalsContact C-N 3.35Å; K365-Q367 PolarHBondContact O-N 3.18Å; Q367-I369 VanDerWaalsContact C-N 3.35Å; Q367-A370 WeakPolarHBondContact O-CB 3.42Å; Q367-A370 PolarHBondContact O-N 2.91Å; Q367-M371 WeakPolarHBondContact O-CG 3.47Å; Q367-M371 PolarHBondContact O-N 3.18Å; Q367-C384 PolarHBondContact N-SG 3.2Å
368	S	92.2	Very high	89.5	Confident	12 Å²	12	29.4 Å²	29.4	8%	0.084	15%	0.146	C	C	.	.	H	α-helix	trans	-64.7	-38.2	174.7	-52.9	0	0	0	0	112.7	R364 K365 C366 M371 A372	R364-S368 PolarHBondContact O-N 3.47Å; R364-S368 PolarHBondContact O-OG 2.74Å; K365-S368 PolarHBondContact O-N 3.39Å; C366-S368 VanDerWaalsContact C-N 3.32Å; C366-S368 PolarHBondContact O-N 3.13Å; S368-M371 PolarHBondContact O-N 3.18Å; S368-A372 WeakPolarHBondContact O-CB 3.36Å; S368-A372 PolarHBondContact O-N 3.48Å
369	I	91.4	Very high	88.7	Confident	2 Å²	2	31 Å²	31	1%	0.01	15%	0.152	C	C	.	.	H	α-helix	trans	-62.6	-46	172.8	-71	169.9	0	0	0	110.4	K365 C366 Q367 M371 A372 W373 L382 F619 M621 L631	K365-I369 HydrophobicContact CG-CD1 4.2Å; K365-I369 VanDerWaalsContact O-CG1 3.29Å; K365-I369 WeakPolarHBondContact O-CG1 3.08Å; K365-I369 PolarHBondContact O-N 3.4Å; C366-I369 WeakPolarHBondContact O-CB 3.38Å; C366-I369 PolarHBondContact O-N 2.82Å; C366-I369 VanDerWaalsContact O-N 3.17Å; Q367-I369 VanDerWaalsContact C-N 3.35Å; I369-M371 VanDerWaalsContact C-N 3.33Å; I369-M371 PolarHBondContact O-N 2.86Å; I369-A372 PolarHBondContact O-N 2.95Å; I369-W373 HydrophobicContact CG2-CD2 4.07Å; I369-W373 HydrophobicContact CG2-CG 4.35Å; I369-W373 HydrophobicContact CG2-CH2 4.49Å; I369-W373 HydrophobicContact CG2-CZ2 3.61Å; I369-W373 VanDerWaalsContact CG2-NE1 3.25Å; I369-W373 WeakPolarHBondContact O-CB 3.31Å; I369-W373 VanDerWaalsContact O-CG 3.24Å; I369-W373 PolarHBondContact O-N 3Å; I369-L382 HydrophobicContact CG2-CD2 3.97Å; I369-F619 HydrophobicContact CB-CE1 4.41Å; I369-F619 HydrophobicContact CB-CZ 4.38Å; I369-F619 HydrophobicContact CG1-CE1 3.78Å; I369-F619 HydrophobicContact CG1-CZ 3.66Å; I369-M621 HydrophobicContact CD1-CG 3.87Å; I369-M621 HydrophobicContact CG1-CG 4.17Å; I369-L631 HydrophobicContact CD1-CB 3.78Å; I369-L631 HydrophobicContact CD1-CD2 3.4Å; I369-L631 VanDerWaalsContact CD1-CD2 3.4Å; I369-L631 HydrophobicContact CD1-CG 4.22Å
370	A	93	Very high	88.1	Confident	4 Å²	4	31.3 Å²	31.3	3%	0.033	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-43.6	177.5	0	0	0	0	0	112.3	Y87 C366 Q367 A374 L382	Y87-A370 HydrophobicContact CE1-CB 4.46Å; C366-A370 PolarHBondContact O-N 3.27Å; Q367-A370 WeakPolarHBondContact O-CB 3.42Å; Q367-A370 PolarHBondContact O-N 2.91Å; A370-A374 PolarHBondContact O-N 3.28Å; A370-L382 HydrophobicContact CB-CB 3.85Å; A370-L382 HydrophobicContact CB-CD2 4.39Å; A370-L382 HydrophobicContact CB-CG 4.5Å; A370-L382 WeakPolarHBondContact CB-O 3.26Å
371	M	93.4	Very high	88.1	Confident	4 Å²	4	29.1 Å²	29.1	2%	0.02	14%	0.141	C	C	.	.	H	α-helix	trans	-65.5	-44.7	175.6	-75.2	-172.2	-74.8	0	0	112.1	I60 Q64 V83 Y87 L88 Q367 S368 I369 A374 T375	I60-M371 HydrophobicContact CD1-CB 3.92Å; I60-M371 HydrophobicContact CG2-CB 4.28Å; I60-M371 HydrophobicContact CG2-CE 3.37Å; I60-M371 HydrophobicContact CG2-SD 4.16Å; Q64-M371 HydrophobicContact CG-CE 4.32Å; V83-M371 HydrophobicContact CG1-CB 3.6Å; V83-M371 HydrophobicContact CG1-CG 3.89Å; V83-M371 WeakPolarHBondContact CG1-O 3.35Å; V83-M371 HydrophobicContact CG1-SD 4.43Å; Y87-M371 HydrophobicContact CD1-CG 3.78Å; Y87-M371 HydrophobicContact CD2-CG 4.1Å; Y87-M371 HydrophobicContact CE1-CG 4.45Å; Y87-M371 HydrophobicContact CG-CG 3.58Å; Y87-M371 HydrophobicContact CG-SD 4.33Å; L88-M371 HydrophobicContact CD1-SD 3.97Å; L88-M371 HydrophobicContact CD2-SD 4.2Å; L88-M371 HydrophobicContact CG-SD 3.93Å; Q367-M371 WeakPolarHBondContact O-CG 3.47Å; Q367-M371 PolarHBondContact O-N 3.18Å; S368-M371 PolarHBondContact O-N 3.18Å; I369-M371 VanDerWaalsContact C-N 3.33Å; I369-M371 PolarHBondContact O-N 2.86Å; M371-A374 WeakPolarHBondContact O-CB 3.16Å; M371-A374 PolarHBondContact O-N 3.09Å; M371-T375 PolarHBondContact O-N 3.48Å
372	A	91	Very high	88.4	Confident	1 Å²	1	27.1 Å²	27.1	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-59.5	-50.1	176.2	0	0	0	0	0	110.9	S368 I369 A374 T375 Y610 F619	S368-A372 WeakPolarHBondContact O-CB 3.36Å; S368-A372 PolarHBondContact O-N 3.48Å; I369-A372 PolarHBondContact O-N 2.95Å; A372-A374 PolarHBondContact O-N 3.24Å; A372-A374 VanDerWaalsContact O-N 3.09Å; A372-T375 PolarHBondContact O-N 3.11Å; A372-T375 PolarHBondContact O-OG1 3.2Å; A372-Y610 VanDerWaalsContact C-OH 3.29Å; A372-Y610 HydrophobicContact CB-CE1 4.02Å; A372-Y610 HydrophobicContact CB-CE2 3.97Å; A372-Y610 PolarHBondContact O-OH 3.37Å; A372-F619 HydrophobicContact CB-CB 4.05Å; A372-F619 HydrophobicContact CB-CD1 3.23Å; A372-F619 HydrophobicContact CB-CD2 4.26Å; A372-F619 HydrophobicContact CB-CE1 3.64Å; A372-F619 HydrophobicContact CB-CG 3.58Å; A372-F619 HydrophobicContact CB-CZ 4.32Å
373	W	88.5	Confident	88.9	Confident	3 Å²	3	27.5 Å²	27.5	1%	0.011	13%	0.126	C	C	.	.	H	α-helix	trans	-54	-36.4	177.4	-70.7	10.4	0	0	0	113.3	I369 T375 I376 L378 L382 M602 L603 A606	I369-W373 HydrophobicContact CG2-CD2 4.07Å; I369-W373 HydrophobicContact CG2-CG 4.35Å; I369-W373 HydrophobicContact CG2-CH2 4.49Å; I369-W373 HydrophobicContact CG2-CZ2 3.61Å; I369-W373 VanDerWaalsContact CG2-NE1 3.25Å; I369-W373 WeakPolarHBondContact O-CB 3.31Å; I369-W373 VanDerWaalsContact O-CG 3.24Å; I369-W373 PolarHBondContact O-N 3Å; W373-T375 VanDerWaalsContact C-N 3.34Å; W373-T375 PolarHBondContact O-N 3.03Å; W373-I376 VanDerWaalsContact O-CG1 3.27Å; W373-I376 WeakPolarHBondContact O-CG1 3.45Å; W373-I376 PolarHBondContact O-N 3.28Å; W373-L378 HydrophobicContact CB-CB 4.22Å; W373-L378 HydrophobicContact CB-CD2 4.33Å; W373-L378 HydrophobicContact CD2-CD2 3.97Å; W373-L378 HydrophobicContact CE3-CD2 4.32Å; W373-L378 HydrophobicContact CG-CD2 3.96Å; W373-L378 WeakPolarHBondContact O-CB 3.46Å; W373-L378 PolarHBondContact O-N 2.72Å; W373-L382 HydrophobicContact CE3-CB 3.76Å; W373-L382 HydrophobicContact CE3-CD2 4.35Å; W373-L382 HydrophobicContact CE3-CG 4.49Å; W373-L382 HydrophobicContact CH2-CD1 4.07Å; W373-L382 HydrophobicContact CH2-CD2 3.97Å; W373-L382 HydrophobicContact CH2-CG 4.44Å; W373-L382 HydrophobicContact CZ2-CD2 4.42Å; W373-L382 HydrophobicContact CZ3-CB 3.7Å; W373-L382 HydrophobicContact CZ3-CD1 3.75Å; W373-L382 HydrophobicContact CZ3-CD2 3.94Å; W373-L382 HydrophobicContact CZ3-CG 4.02Å; W373-M602 HydrophobicContact CE3-SD 4.26Å; W373-M602 HydrophobicContact CH2-CE 3.51Å; W373-M602 HydrophobicContact CH2-CG 4.38Å; W373-M602 HydrophobicContact CH2-SD 4.07Å; W373-M602 HydrophobicContact CZ3-CE 3.49Å; W373-M602 VanDerWaalsContact CZ3-CE 3.49Å; W373-M602 HydrophobicContact CZ3-CG 3.98Å; W373-M602 HydrophobicContact CZ3-SD 3.45Å; W373-M602 WeakPolarHBondContact CZ3-SD 3.37Å; W373-L603 HydrophobicContact CH2-CD2 4.09Å; W373-L603 HydrophobicContact CZ2-CD2 4.43Å; W373-A606 HydrophobicContact CD2-CB 4.38Å; W373-A606 HydrophobicContact CZ2-CB 3.66Å; W373-A606 VanDerWaalsContact NE1-CB 3.32Å
374	A	90.1	Very high	89.3	Confident	4 Å²	4	26.5 Å²	26.5	3%	0.033	12%	0.124	C	C	.	.	H	α-helix	trans	-67.4	-29.6	177.1	0	0	0	0	0	113.2	Y82 V83 Y87 M341 A370 M371 A372 I376 R377	Y82-A374 HydrophobicContact CE1-CB 4.31Å; V83-A374 HydrophobicContact CG2-CB 3.62Å; Y87-A374 HydrophobicContact CE2-CB 3.7Å; M341-A374 WeakPolarHBondContact CE-O 3.05Å; A370-A374 PolarHBondContact O-N 3.28Å; M371-A374 WeakPolarHBondContact O-CB 3.16Å; M371-A374 PolarHBondContact O-N 3.09Å; A372-A374 PolarHBondContact O-N 3.24Å; A372-A374 VanDerWaalsContact O-N 3.09Å; A374-I376 PolarHBondContact O-N 3.21Å; A374-R377 PolarHBondContact O-N 3.38Å
375	T	89.5	Confident	89.6	Confident	23 Å²	23	19.5 Å²	19.5	14%	0.141	10%	0.099	C	C	.	.	H	α-helix	trans	-68.1	-21	178.1	68.8	0	0	0	0	113	E79 E80 V83 M371 A372 W373 Y610	E79-T375 WeakPolarHBondContact CB-O 3.44Å; E80-T375 HydrophobicContact CG-CG2 4.37Å; V83-T375 HydrophobicContact CB-CG2 4.08Å; V83-T375 HydrophobicContact CG1-CG2 4.38Å; V83-T375 HydrophobicContact CG2-CG2 3.54Å; M371-T375 PolarHBondContact O-N 3.48Å; A372-T375 PolarHBondContact O-N 3.11Å; A372-T375 PolarHBondContact O-OG1 3.2Å; W373-T375 VanDerWaalsContact C-N 3.34Å; W373-T375 PolarHBondContact O-N 3.03Å; T375-Y610 PolarHBondContact OG1-OH 2.96Å
376	I	85.2	Confident	89.8	Confident	15 Å²	15	24.2 Å²	24.2	8%	0.077	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-108.1	17.3	178.7	60	166.1	0	0	0	113.3	W373 A374 L378 Y605 Y609 Y610	W373-I376 VanDerWaalsContact O-CG1 3.27Å; W373-I376 WeakPolarHBondContact O-CG1 3.45Å; W373-I376 PolarHBondContact O-N 3.28Å; A374-I376 PolarHBondContact O-N 3.21Å; I376-L378 HydrophobicContact CD1-CB 4.12Å; I376-L378 HydrophobicContact CD1-CD2 4.47Å; I376-L378 HydrophobicContact CG1-CB 3.96Å; I376-L378 PolarHBondContact O-N 2.67Å; I376-L378 VanDerWaalsContact O-N 3.09Å; I376-Y605 HydrophobicContact CD1-CE1 4.26Å; I376-Y609 HydrophobicContact CD1-CD1 4.07Å; I376-Y609 HydrophobicContact CD1-CD2 4.36Å; I376-Y609 HydrophobicContact CD1-CG 3.87Å; I376-Y609 HydrophobicContact CG2-CD1 3.83Å; I376-Y609 HydrophobicContact CG2-CD2 4.21Å; I376-Y609 HydrophobicContact CG2-CE1 3.37Å; I376-Y609 HydrophobicContact CG2-CE2 3.79Å; I376-Y609 HydrophobicContact CG2-CG 4.22Å; I376-Y610 HydrophobicContact CD1-CE2 3.69Å; I376-Y610 HydrophobicContact CG1-CE2 4.19Å; I376-Y610 WeakPolarHBondContact CG2-OH 3.37Å
377	R	85.7	Confident	89.9	Confident	10 Å²	10	24.3 Å²	24.3	4%	0.038	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.2	26.4	-178.6	-59.6	176	178.2	75.5	4.2	113.4	E79 M341 A374 K379	E79-R377 IonicContact OE1-CZ 3.61Å; E79-R377 IonicContact OE1-NH1 3.39Å; E79-R377 PolarHBondContact OE1-NH1 2.88Å; E79-R377 IonicContact OE1-NH2 3.37Å; E79-R377 PolarHBondContact OE1-NH2 2.71Å; M341-R377 HydrophobicContact CE-CG 4.2Å; M341-R377 HydrophobicContact SD-CG 3.47Å; M341-R377 WeakPolarHBondContact SD-CG 3.31Å; M341-R377 PolarHBondContact SD-NE 2.88Å; M341-R377 PolarHBondContact SD-NH2 2.9Å; M341-R377 VanDerWaalsContact SD-NH2 3.4Å; A374-R377 PolarHBondContact O-N 3.38Å; R377-K379 PolarHBondContact O-N 3.32Å
378	L	82.6	Confident	89.8	Confident	3 Å²	3	26 Å²	26	2%	0.016	13%	0.133	C	C	.	.			trans	-68.6	124.7	-179.3	-178	56.5	0	0	0	110.4	W373 I376 M602 Y605 A606	W373-L378 HydrophobicContact CB-CB 4.22Å; W373-L378 HydrophobicContact CB-CD2 4.33Å; W373-L378 HydrophobicContact CD2-CD2 3.97Å; W373-L378 HydrophobicContact CE3-CD2 4.32Å; W373-L378 HydrophobicContact CG-CD2 3.96Å; W373-L378 WeakPolarHBondContact O-CB 3.46Å; W373-L378 PolarHBondContact O-N 2.72Å; I376-L378 HydrophobicContact CD1-CB 4.12Å; I376-L378 HydrophobicContact CD1-CD2 4.47Å; I376-L378 HydrophobicContact CG1-CB 3.96Å; I376-L378 PolarHBondContact O-N 2.67Å; I376-L378 VanDerWaalsContact O-N 3.09Å; L378-M602 HydrophobicContact CD2-CG 4.48Å; L378-Y605 HydrophobicContact CD1-CD1 3.44Å; L378-Y605 VanDerWaalsContact CD1-CD1 3.44Å; L378-Y605 HydrophobicContact CD1-CE1 4Å; L378-Y605 HydrophobicContact CD1-CG 4.2Å; L378-Y605 HydrophobicContact CD2-CD1 4.13Å; L378-Y605 HydrophobicContact CG-CD1 4.34Å; L378-A606 HydrophobicContact CD2-CB 3.72Å
379	K	80.1	Confident	89.7	Confident	38 Å²	38	32.7 Å²	32.7	17%	0.165	16%	0.157	C	C	.	.	S	Bend	trans	-115.1	147.4	174.2	-59.6	-62	168.9	-173.3	0	112.9	K183 M341 E342 R377 T381	K183-K379 PolarHBondContact NZ-O 3.08Å; M341-K379 VanDerWaalsContact O-CE 3.29Å; M341-K379 WeakPolarHBondContact O-CE 3.39Å; M341-K379 PolarHBondContact O-NZ 3.33Å; E342-K379 VanDerWaalsContact C-NZ 3.3Å; E342-K379 VanDerWaalsContact O-CE 3.23Å; E342-K379 WeakPolarHBondContact O-CE 3.24Å; E342-K379 PolarHBondContact O-NZ 3.29Å; R377-K379 PolarHBondContact O-N 3.32Å; K379-T381 HydrophobicContact CD-CG2 4.07Å
380	P	83	Confident	89.6	Confident	11 Å²	11	35.4 Å²	35.4	7%	0.071	17%	0.168	C	C	.	.	S	Bend	cis	-68	161	-6.3	30.3	-36	0	0	0	112.8	P352 S353 V355 M602	P352-P380 VanDerWaalsContact O-CB 3.23Å; P352-P380 WeakPolarHBondContact O-CB 3.35Å; S353-P380 CarbonylContact O-C 3.5Å; S353-P380 WeakPolarHBondContact O-CA 3.44Å; S353-P380 WeakPolarHBondContact O-CB 3.33Å; V355-P380 HydrophobicContact CB-CG 4.32Å; V355-P380 HydrophobicContact CG2-CB 3.83Å; V355-P380 HydrophobicContact CG2-CG 3.24Å; P380-M602 HydrophobicContact CG-SD 3.64Å
381	T	87	Confident	89.5	Confident	21 Å²	21	39.1 Å²	39.1	13%	0.129	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	161.7	174.1	58.1	0	0	0	0	110.3	S353 T354 V355 K379	S353-T381 PolarHBondContact O-N 2.89Å; S353-T381 PolarHBondContact O-OG1 2.91Å; T354-T381 CarbonylContact C-O 3.23Å; T354-T381 WeakPolarHBondContact CA-O 3.34Å; T354-T381 PolarHBondContact OG1-OG1 3.37Å; V355-T381 PolarHBondContact N-O 3.27Å; K379-T381 HydrophobicContact CD-CG2 4.07Å
382	L	90.9	Very high	89.6	Confident	7 Å²	7	42.8 Å²	42.8	4%	0.037	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	129.1	-179.9	-165.3	67.4	0	0	0	110.9	V355 F357 I369 A370 W373	V355-L382 HydrophobicContact CB-CD1 4.48Å; V355-L382 HydrophobicContact CG1-CD1 4.22Å; F357-L382 HydrophobicContact CB-CD1 3.74Å; F357-L382 HydrophobicContact CB-CG 4.35Å; F357-L382 HydrophobicContact CD1-CD1 3.84Å; F357-L382 HydrophobicContact CD1-CD2 4.12Å; F357-L382 HydrophobicContact CD1-CG 4.38Å; F357-L382 HydrophobicContact CG-CD1 4.25Å; I369-L382 HydrophobicContact CG2-CD2 3.97Å; A370-L382 HydrophobicContact CB-CB 3.85Å; A370-L382 HydrophobicContact CB-CD2 4.39Å; A370-L382 HydrophobicContact CB-CG 4.5Å; A370-L382 WeakPolarHBondContact CB-O 3.26Å; W373-L382 HydrophobicContact CE3-CB 3.76Å; W373-L382 HydrophobicContact CE3-CD2 4.35Å; W373-L382 HydrophobicContact CE3-CG 4.49Å; W373-L382 HydrophobicContact CH2-CD1 4.07Å; W373-L382 HydrophobicContact CH2-CD2 3.97Å; W373-L382 HydrophobicContact CH2-CG 4.44Å; W373-L382 HydrophobicContact CZ2-CD2 4.42Å; W373-L382 HydrophobicContact CZ3-CB 3.7Å; W373-L382 HydrophobicContact CZ3-CD1 3.75Å; W373-L382 HydrophobicContact CZ3-CD2 3.94Å; W373-L382 HydrophobicContact CZ3-CG 4.02Å
383	E	93.2	Very high	89.9	Confident	96 Å²	96	42.9 Å²	42.9	45%	0.449	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-115	115.5	170.6	-177.4	-179.3	171.6	0	0	109.2	T354 V355 R356 F357	T354-E383 HydrophobicContact CG2-CB 3.62Å; V355-E383 PolarHBondContact O-N 3.34Å; R356-E383 CarbonylContact C-O 3.58Å; R356-E383 WeakPolarHBondContact CA-O 3.25Å; F357-E383 PolarHBondContact N-O 3.09Å
384	C	95.2	Very high	90.2	Very high	18 Å²	18	43.4 Å²	43.4	12%	0.122	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	122.9	-176.1	-53.7	0	0	0	0	110.4	Q363 C366 Q367	Q363-C384 PolarHBondContact NE2-O 3.02Å; C366-C384 HydrophobicContact CB-CB 3.76Å; C366-C384 WeakPolarHBondContact CB-SG 3.49Å; C366-C384 PolarHBondContact O-SG 3.45Å; C366-C384 VanDerWaalsContact O-SG 3.33Å; C366-C384 WeakPolarHBondContact SG-CB 3.48Å; C366-C384 CovalentContact SG-SG 2.03Å; C366-C384 PolarHBondContact SG-SG 3.28Å; Q367-C384 PolarHBondContact N-SG 3.2Å
385	Q	95.1	Very high	90.5	Very high	48 Å²	48	46.4 Å²	46.4	22%	0.224	23%	0.23	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	124	178.1	-68.6	177.1	-29.6	0	0	109.9	R356 F357 C358 L359 R401 S402	R356-Q385 HydrophobicContact CB-CG 4.49Å; F357-Q385 PolarHBondContact O-N 3.36Å; C358-Q385 CarbonylContact C-O 3.58Å; C358-Q385 WeakPolarHBondContact CA-O 3.29Å; L359-Q385 PolarHBondContact N-O 3.29Å; Q385-R401 PolarHBondContact NE2-O 2.81Å; Q385-R401 VanDerWaalsContact NE2-O 3.12Å; Q385-R401 PolarHBondContact OE1-O 2.8Å; Q385-S402 PolarHBondContact OE1-OG 3.17Å
386	Q	93.3	Very high	90.8	Very high	103 Å²	103	46 Å²	46	48%	0.481	23%	0.228	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	129.2	178.7	179.3	69.1	61.7	0	0	110.1	L359 T360	L359-Q386 CarbonylContact O-C 3.59Å; L359-Q386 WeakPolarHBondContact O-CA 3.27Å; L359-Q386 PolarHBondContact O-NE2 3.28Å; T360-Q386 PolarHBondContact O-NE2 2.81Å
387	A	94	Very high	91.3	Very high	3 Å²	3	45.3 Å²	45.3	3%	0.025	23%	0.225	C	C	.	.			trans	-113.8	151.6	168.2	0	0	0	0	0	109.9	L359 T360 Q392 C393	L359-A387 PolarHBondContact O-N 3.1Å; T360-A387 CarbonylContact C-O 3.6Å; T360-A387 VanDerWaalsContact CA-O 3.27Å; T360-A387 WeakPolarHBondContact CA-O 3.38Å; A387-Q392 HydrophobicContact CB-CB 3.97Å; A387-C393 WeakPolarHBondContact CB-SG 3.45Å
388	I	91.7	Very high	91.7	Very high	120 Å²	120	48 Å²	48	62%	0.615	24%	0.239	S	C	*	.	S	Bend	trans	-83.7	-41.7	173	-58	174.6	0	0	0	109.6
389	Y	90.5	Very high	92.2	Very high	152 Å²	152	53.3 Å²	53.3	60%	0.596	26%	0.264	S	S	*	.	S	Bend	trans	-124.5	149.8	-176	-55.2	-69.1	0	0	0	111.1	S391 Q392	Y389-S391 PolarHBondContact O-N 2.94Å; Y389-Q392 WeakPolarHBondContact O-CB 3Å; Y389-Q392 PolarHBondContact O-N 3.33Å
390	R	87.6	Confident	92.7	Very high	60 Å²	60	54.9 Å²	54.9	23%	0.226	27%	0.274	C	S	.	.	H	α-helix	trans	-52.6	-41.3	176	-177.1	-159.8	167.2	-167.4	-10.4	112.7	T360 Q392 C393 V394 E411 E414	T360-R390 HydrophobicContact CG2-CB 4.46Å; R390-Q392 PolarHBondContact O-N 3.3Å; R390-Q392 VanDerWaalsContact O-N 3.17Å; R390-C393 PolarHBondContact O-N 3.38Å; R390-V394 HydrophobicContact CG-CG2 4.45Å; R390-V394 PolarHBondContact O-N 2.81Å; R390-E411 WeakPolarHBondContact CD-OE1 3.41Å; R390-E411 VanDerWaalsContact CZ-CG 3.41Å; R390-E411 PolarHBondContact NH2-O 3.46Å; R390-E414 IonicContact CZ-OE2 3.13Å; R390-E414 IonicContact NH1-OE2 2.91Å; R390-E414 PolarHBondContact NH1-OE2 2.96Å; R390-E414 IonicContact NH2-OE2 3.02Å
391	S	92	Very high	93.2	Very high	82 Å²	82	60.7 Å²	60.7	57%	0.573	29%	0.294	S	S	*	.	H	α-helix	trans	-57.4	-30.1	179.8	53.6	0	0	0	0	112.6	Y389 N395	Y389-S391 PolarHBondContact O-N 2.94Å; S391-N395 WeakPolarHBondContact O-CB 3.27Å; S391-N395 PolarHBondContact O-N 2.96Å
392	Q	95.5	Very high	93.6	Very high	80 Å²	80	59.7 Å²	59.7	37%	0.374	29%	0.288	S	S	.	.	H	α-helix	trans	-67.9	-41.5	175	-62.3	175.2	-5	0	0	111.3	A387 Y389 R390 N395 S396	A387-Q392 HydrophobicContact CB-CB 3.97Å; Y389-Q392 WeakPolarHBondContact O-CB 3Å; Y389-Q392 PolarHBondContact O-N 3.33Å; R390-Q392 PolarHBondContact O-N 3.3Å; R390-Q392 VanDerWaalsContact O-N 3.17Å; Q392-N395 PolarHBondContact O-N 3.24Å; Q392-S396 WeakPolarHBondContact O-CB 3.3Å; Q392-S396 PolarHBondContact O-N 2.94Å
393	C	96.2	Very high	93.8	Very high	4 Å²	4	60.7 Å²	60.7	3%	0.027	29%	0.294	C	S	.	.	H	α-helix	trans	-67.4	-41.8	175.3	-70.3	0	0	0	0	112.5	C358 A387 R390 N395 S396 L397 A405	C358-C393 VanDerWaalsContact C-SG 3.5Å; C358-C393 HydrophobicContact CB-CB 3.77Å; C358-C393 WeakPolarHBondContact CB-SG 3.49Å; C358-C393 WeakPolarHBondContact SG-CA 3.37Å; C358-C393 WeakPolarHBondContact SG-CB 3.47Å; C358-C393 CovalentContact SG-SG 2.05Å; C358-C393 PolarHBondContact SG-SG 3.17Å; A387-C393 WeakPolarHBondContact CB-SG 3.45Å; R390-C393 PolarHBondContact O-N 3.38Å; C393-N395 VanDerWaalsContact C-N 3.35Å; C393-N395 PolarHBondContact O-N 3.4Å; C393-S396 PolarHBondContact O-N 3.31Å; C393-L397 WeakPolarHBondContact O-CG 3.36Å; C393-L397 PolarHBondContact O-N 2.82Å; C393-A405 HydrophobicContact CB-CB 3.94Å
394	V	96.1	Very high	93.9	Very high	14 Å²	14	56.1 Å²	56.1	9%	0.085	27%	0.273	C	S	.	.	H	α-helix	trans	-58.3	-49.6	173.7	173	0	0	0	0	110.2	R390 S396 L397 L398 M407 L421	R390-V394 HydrophobicContact CG-CG2 4.45Å; R390-V394 PolarHBondContact O-N 2.81Å; V394-S396 VanDerWaalsContact C-N 3.31Å; V394-S396 PolarHBondContact O-N 2.86Å; V394-L397 PolarHBondContact O-N 3.43Å; V394-L398 HydrophobicContact CG1-CD1 4.12Å; V394-L398 WeakPolarHBondContact O-CG 3.45Å; V394-L398 PolarHBondContact O-N 3.38Å; V394-M407 HydrophobicContact CG2-CE 3.71Å; V394-M407 HydrophobicContact CG2-SD 4.33Å; V394-L421 HydrophobicContact CG1-CD1 4.2Å
395	N	95.5	Very high	94	Very high	66 Å²	66	55.3 Å²	55.3	35%	0.353	27%	0.267	S	S	.	.	H	α-helix	trans	-64.1	-36.6	179.1	-167.7	48.4	0	0	0	112.3	S391 Q392 C393 L398 H399 R401	S391-N395 WeakPolarHBondContact O-CB 3.27Å; S391-N395 PolarHBondContact O-N 2.96Å; Q392-N395 PolarHBondContact O-N 3.24Å; C393-N395 VanDerWaalsContact C-N 3.35Å; C393-N395 PolarHBondContact O-N 3.4Å; N395-L398 PolarHBondContact O-N 2.97Å; N395-H399 PolarHBondContact O-N 2.92Å; N395-H399 PolarHBondContact O-ND1 2.77Å; N395-H399 PolarHBondContact OD1-CE1 2.84Å; N395-H399 PolarHBondContact OD1-ND1 3.02Å; N395-H399 VanDerWaalsContact OD1-ND1 3.1Å; N395-R401 PolarHBondContact ND2-NH2 3.03Å; N395-R401 VanDerWaalsContact ND2-NH2 3.14Å
396	S	95.8	Very high	94	Very high	16 Å²	16	54.4 Å²	54.4	11%	0.112	26%	0.263	C	S	.	.	H	α-helix	trans	-67	-40.9	177.9	-164.2	0	0	0	0	111.9	Q392 C393 V394 H399 D400 R401 S402	Q392-S396 WeakPolarHBondContact O-CB 3.3Å; Q392-S396 PolarHBondContact O-N 2.94Å; C393-S396 PolarHBondContact O-N 3.31Å; V394-S396 VanDerWaalsContact C-N 3.31Å; V394-S396 PolarHBondContact O-N 2.86Å; S396-H399 PolarHBondContact O-N 3.1Å; S396-D400 PolarHBondContact O-N 3.01Å; S396-R401 PolarHBondContact O-N 3.24Å; S396-R401 VanDerWaalsContact OG-CB 3.23Å; S396-R401 WeakPolarHBondContact OG-CB 3.36Å; S396-S402 VanDerWaalsContact CB-OG 3.28Å; S396-S402 WeakPolarHBondContact CB-OG 3.44Å; S396-S402 PolarHBondContact O-N 3.03Å; S396-S402 PolarHBondContact OG-N 3.33Å; S396-S402 PolarHBondContact OG-OG 3.27Å
397	L	96	Very high	94.1	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-65.4	-40.1	172.9	-71.4	174.1	0	0	0	112.1	C393 V394 H399 D400 D403 A405 M407 L421 S588	C393-L397 WeakPolarHBondContact O-CG 3.36Å; C393-L397 PolarHBondContact O-N 2.82Å; V394-L397 PolarHBondContact O-N 3.43Å; L397-H399 PolarHBondContact O-N 3.09Å; L397-D400 PolarHBondContact O-N 2.98Å; L397-D403 VanDerWaalsContact CD2-C 3.44Å; L397-D403 WeakPolarHBondContact CD2-O 3.31Å; L397-A405 HydrophobicContact CD1-CB 3.68Å; L397-A405 HydrophobicContact CG-CB 4.35Å; L397-M407 HydrophobicContact CD1-CE 3.91Å; L397-L421 HydrophobicContact CB-CD1 4.13Å; L397-L421 HydrophobicContact CB-CD2 4.03Å; L397-L421 HydrophobicContact CD1-CD1 3.81Å; L397-S588 PolarHBondContact O-OG 3.35Å
398	L	94.8	Very high	94	Very high	65 Å²	65	51.5 Å²	51.5	34%	0.34	25%	0.254	S	S	.	.	H	α-helix	trans	-64.8	-26.8	178.9	-78.1	175.8	0	0	0	114	V394 N395 H419 L421	V394-L398 HydrophobicContact CG1-CD1 4.12Å; V394-L398 WeakPolarHBondContact O-CG 3.45Å; V394-L398 PolarHBondContact O-N 3.38Å; N395-L398 PolarHBondContact O-N 2.97Å; L398-H419 HydrophobicContact CD1-CB 4.43Å; L398-H419 HydrophobicContact CD2-CB 4.07Å; L398-L421 HydrophobicContact CD2-CD2 4.15Å; L398-L421 HydrophobicContact CG-CD2 4.49Å
399	H	93.7	Very high	94.1	Very high	116 Å²	116	45.8 Å²	45.8	54%	0.537	22%	0.224	S	C	.	.	T	Hydrogen-bonded Turn	trans	-108.4	17.5	-179.1	-63.2	82.7	0	0	0	112.4	N395 S396 L397 R401	N395-H399 PolarHBondContact O-N 2.92Å; N395-H399 PolarHBondContact O-ND1 2.77Å; N395-H399 PolarHBondContact OD1-CE1 2.84Å; N395-H399 PolarHBondContact OD1-ND1 3.02Å; N395-H399 VanDerWaalsContact OD1-ND1 3.1Å; S396-H399 PolarHBondContact O-N 3.1Å; L397-H399 PolarHBondContact O-N 3.09Å; H399-R401 HydrophobicContact CB-CG 4.48Å; H399-R401 PolarHBondContact O-N 2.73Å
400	D	90.6	Very high	94.2	Very high	70 Å²	70	39.5 Å²	39.5	37%	0.374	20%	0.203	S	C	.	.	T	Hydrogen-bonded Turn	trans	51.8	31.4	179.4	-60.6	-35	0	0	0	114.5	R356 S396 L397 S588 T590	R356-D400 VanDerWaalsContact CZ-O 3.23Å; R356-D400 PolarHBondContact NH1-O 3.02Å; R356-D400 PolarHBondContact NH2-O 2.76Å; S396-D400 PolarHBondContact O-N 3.01Å; L397-D400 PolarHBondContact O-N 2.98Å; D400-S588 PolarHBondContact OD1-OG 3.29Å; D400-T590 VanDerWaalsContact CG-OG1 3.24Å; D400-T590 PolarHBondContact OD1-OG1 2.91Å; D400-T590 WeakPolarHBondContact OD2-CG2 3.13Å; D400-T590 PolarHBondContact OD2-OG1 3.37Å
401	R	93.6	Very high	94.4	Very high	133 Å²	133	39.5 Å²	39.5	50%	0.502	21%	0.205	S	C	.	.	S	Bend	trans	-89.5	-19.2	172.6	-72.3	-173	-69.2	170.6	-5.6	112.7	R356 Q385 N395 S396 H399	R356-R401 WeakPolarHBondContact CD-O 3.4Å; R356-R401 VanDerWaalsContact NH1-C 3.29Å; R356-R401 PolarHBondContact NH1-O 3.14Å; R356-R401 VanDerWaalsContact NH1-O 3.08Å; Q385-R401 PolarHBondContact NE2-O 2.81Å; Q385-R401 VanDerWaalsContact NE2-O 3.12Å; Q385-R401 PolarHBondContact OE1-O 2.8Å; N395-R401 PolarHBondContact ND2-NH2 3.03Å; N395-R401 VanDerWaalsContact ND2-NH2 3.14Å; S396-R401 PolarHBondContact O-N 3.24Å; S396-R401 VanDerWaalsContact OG-CB 3.23Å; S396-R401 WeakPolarHBondContact OG-CB 3.36Å; H399-R401 HydrophobicContact CB-CG 4.48Å; H399-R401 PolarHBondContact O-N 2.73Å
402	S	95.2	Very high	94.5	Very high	0 Å²	0	35.6 Å²	35.6	0%	0	18%	0.178	C	C	.	.			trans	-128.9	159.2	167.3	-55.7	0	0	0	0	109.3	C358 Q385 S396	C358-S402 WeakPolarHBondContact CB-OG 3.36Å; Q385-S402 PolarHBondContact OE1-OG 3.17Å; S396-S402 VanDerWaalsContact CB-OG 3.28Å; S396-S402 WeakPolarHBondContact CB-OG 3.44Å; S396-S402 PolarHBondContact O-N 3.03Å; S396-S402 PolarHBondContact OG-N 3.33Å; S396-S402 PolarHBondContact OG-OG 3.27Å
403	D	94.4	Very high	94.4	Very high	29 Å²	29	31.9 Å²	31.9	16%	0.155	16%	0.161	C	C	.	.	S	Bend	trans	-104.9	-37.2	-180	-54.5	-58.7	0	0	0	111.4	V355 R356 L397 A587 S588	V355-D403 HydrophobicContact CG1-CB 4.16Å; R356-D403 VanDerWaalsContact CB-OD2 3.29Å; R356-D403 WeakPolarHBondContact CB-OD2 3.27Å; R356-D403 IonicContact CZ-OD1 2.85Å; R356-D403 IonicContact CZ-OD2 2.95Å; R356-D403 PolarHBondContact N-OD2 3.2Å; R356-D403 IonicContact NE-OD1 3.53Å; R356-D403 IonicContact NE-OD2 2.89Å; R356-D403 PolarHBondContact NE-OD2 3.38Å; R356-D403 IonicContact NH2-OD1 2.88Å; R356-D403 PolarHBondContact NH2-OD1 3.28Å; R356-D403 IonicContact NH2-OD2 3.13Å; R356-D403 PolarHBondContact O-N 3.09Å; L397-D403 VanDerWaalsContact CD2-C 3.44Å; L397-D403 WeakPolarHBondContact CD2-O 3.31Å; D403-A587 WeakPolarHBondContact O-CA 3.21Å; D403-S588 PolarHBondContact O-N 2.78Å
404	I	96.3	Very high	94.2	Very high	0 Å²	0	33 Å²	33	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	156.9	176	59.3	172.6	0	0	0	111.9	V355 R356 F357 C358 I424 V585 V586 A587 L599	V355-I404 HydrophobicContact CG1-CD1 3.67Å; V355-I404 HydrophobicContact CG1-CG1 3.68Å; R356-I404 PolarHBondContact O-N 2.95Å; R356-I404 VanDerWaalsContact O-N 3.14Å; F357-I404 CarbonylContact C-O 3.58Å; F357-I404 WeakPolarHBondContact CA-O 3.49Å; F357-I404 HydrophobicContact CB-CD1 4.12Å; F357-I404 HydrophobicContact CB-CG1 3.92Å; F357-I404 HydrophobicContact CD1-CD1 3.89Å; F357-I404 HydrophobicContact CD1-CG1 4.45Å; F357-I404 HydrophobicContact CD2-CB 4.41Å; F357-I404 HydrophobicContact CD2-CD1 3.83Å; F357-I404 HydrophobicContact CD2-CG1 3.58Å; F357-I404 HydrophobicContact CE1-CD1 4.13Å; F357-I404 HydrophobicContact CE2-CD1 4.06Å; F357-I404 HydrophobicContact CE2-CG1 4.09Å; F357-I404 HydrophobicContact CG-CD1 3.71Å; F357-I404 HydrophobicContact CG-CG1 3.76Å; F357-I404 HydrophobicContact CZ-CD1 4.21Å; C358-I404 PolarHBondContact N-O 3.45Å; I404-I424 HydrophobicContact CG2-CD1 3.94Å; I404-V585 HydrophobicContact CB-CG1 3.88Å; I404-V585 HydrophobicContact CD1-CG1 3.98Å; I404-V585 HydrophobicContact CG1-CG1 4.41Å; I404-V585 HydrophobicContact CG2-CG1 4.25Å; I404-V586 CarbonylContact C-O 3.58Å; I404-V586 WeakPolarHBondContact CA-O 3.26Å; I404-A587 HydrophobicContact CG2-CB 4.2Å; I404-L599 HydrophobicContact CG2-CD1 3.83Å; I404-L599 HydrophobicContact CG2-CD2 4.4Å
405	A	96.8	Very high	94	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.8	152.4	171.2	0	0	0	0	0	111.8	C358 C393 L397 M407 V585 V586	C358-A405 HydrophobicContact CB-CB 4.09Å; C358-A405 VanDerWaalsContact O-CA 3.26Å; C358-A405 WeakPolarHBondContact O-CA 3.43Å; C393-A405 HydrophobicContact CB-CB 3.94Å; L397-A405 HydrophobicContact CD1-CB 3.68Å; L397-A405 HydrophobicContact CG-CB 4.35Å; A405-M407 HydrophobicContact CB-CE 3.89Å; A405-V585 CarbonylContact O-C 3.56Å; A405-V585 WeakPolarHBondContact O-CA 3.46Å; A405-V586 PolarHBondContact N-O 2.87Å; A405-V586 PolarHBondContact O-N 3.47Å
406	L	95.5	Very high	93.9	Very high	29 Å²	29	32.6 Å²	32.6	15%	0.152	16%	0.158	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	124.6	175.1	-175.6	67.1	0	0	0	108.4	F357 C358 L359 V585 L631 F632	F357-L406 HydrophobicContact CE2-CB 3.94Å; F357-L406 HydrophobicContact CZ-CB 4.15Å; C358-L406 PolarHBondContact O-N 3.39Å; L359-L406 HydrophobicContact CD2-CB 3.59Å; L359-L406 HydrophobicContact CD2-CD2 4.34Å; L406-V585 HydrophobicContact CD1-CG2 4.22Å; L406-L631 HydrophobicContact CD2-CD1 4.33Å; L406-L631 VanDerWaalsContact CD2-O 3.27Å; L406-L631 WeakPolarHBondContact CD2-O 3.42Å; L406-F632 HydrophobicContact CD1-CD1 4.18Å; L406-F632 HydrophobicContact CD1-CE1 4.01Å
407	M	94.4	Very high	93.7	Very high	4 Å²	4	34.6 Å²	34.6	2%	0.02	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	143.4	-177.4	-60.3	-166.9	-168.5	0	0	109.6	V394 L397 A405 E411 A412 L421 S583 A584 V586	V394-M407 HydrophobicContact CG2-CE 3.71Å; V394-M407 HydrophobicContact CG2-SD 4.33Å; L397-M407 HydrophobicContact CD1-CE 3.91Å; A405-M407 HydrophobicContact CB-CE 3.89Å; M407-E411 HydrophobicContact CB-CB 3.84Å; M407-A412 HydrophobicContact CB-CB 4.41Å; M407-L421 HydrophobicContact CE-CD1 4.21Å; M407-S583 CarbonylContact O-C 3.44Å; M407-S583 WeakPolarHBondContact O-CA 3.37Å; M407-S583 WeakPolarHBondContact O-CB 3.1Å; M407-A584 PolarHBondContact N-O 3.04Å; M407-A584 PolarHBondContact O-N 2.73Å; M407-A584 VanDerWaalsContact O-O 3.12Å; M407-V586 HydrophobicContact CB-CG2 4.17Å; M407-V586 HydrophobicContact CE-CB 4.48Å; M407-V586 HydrophobicContact CG-CG2 4.18Å; M407-V586 HydrophobicContact SD-CB 4.47Å; M407-V586 HydrophobicContact SD-CG2 4.16Å
408	S	92.3	Very high	93.4	Very high	41 Å²	41	39 Å²	39	29%	0.287	19%	0.186	S	C	.	.			trans	-60.4	160.8	171	66.6	0	0	0	0	111	E411 A412	S408-E411 PolarHBondContact N-OE2 3.5Å; S408-E411 WeakPolarHBondContact O-CA 2.98Å; S408-E411 WeakPolarHBondContact O-CB 3.36Å; S408-E411 PolarHBondContact O-N 3.35Å; S408-E411 WeakPolarHBondContact OG-CG 3.38Å; S408-E411 PolarHBondContact OG-OE2 3.3Å; S408-E411 VanDerWaalsContact OG-OE2 3.08Å; S408-A412 PolarHBondContact O-N 3.47Å
409	A	93.4	Very high	93.3	Very high	0 Å²	0	39.5 Å²	39.5	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-54.9	-46.1	-178.3	0	0	0	0	0	114.3	E411 A412 I413 T580 P581 F656 M660	A409-E411 VanDerWaalsContact C-N 3.26Å; A409-E411 PolarHBondContact O-N 3.43Å; A409-A412 PolarHBondContact O-N 3.21Å; A409-I413 WeakPolarHBondContact O-CD1 3.2Å; A409-I413 VanDerWaalsContact O-CG1 3.25Å; A409-I413 WeakPolarHBondContact O-CG1 3.19Å; A409-I413 PolarHBondContact O-N 3.03Å; A409-T580 HydrophobicContact CB-CG2 4.07Å; A409-P581 HydrophobicContact CB-CG 3.67Å; A409-F656 HydrophobicContact CB-CD1 3.79Å; A409-F656 HydrophobicContact CB-CE1 3.76Å; A409-M660 HydrophobicContact CB-CE 4.04Å
410	P	92	Very high	93.2	Very high	21 Å²	21	35 Å²	35	14%	0.136	17%	0.171	C	C	.	.	H	α-helix	trans	-52.3	-46.2	172.4	-32.6	41.5	0	0	0	112.9	I413 E414 T580 M660 Y664	P410-I413 PolarHBondContact O-N 3.42Å; P410-E414 WeakPolarHBondContact O-CB 3.48Å; P410-E414 VanDerWaalsContact O-CG 3.27Å; P410-E414 WeakPolarHBondContact O-CG 3.25Å; P410-E414 PolarHBondContact O-N 3.28Å; P410-T580 HydrophobicContact CG-CG2 3.94Å; P410-M660 HydrophobicContact CG-CE 3.87Å; P410-Y664 HydrophobicContact CB-CE1 3.61Å; P410-Y664 HydrophobicContact CB-CE2 4.35Å; P410-Y664 VanDerWaalsContact CB-CZ 3.48Å; P410-Y664 VanDerWaalsContact CB-OH 3.25Å; P410-Y664 WeakPolarHBondContact CB-OH 3.18Å; P410-Y664 HydrophobicContact CG-CE1 4.43Å; P410-Y664 HydrophobicContact CG-CE2 4.41Å; P410-Y664 VanDerWaalsContact CG-OH 3.24Å; P410-Y664 WeakPolarHBondContact CG-OH 3.48Å
411	E	92.5	Very high	93.4	Very high	59 Å²	59	31.7 Å²	31.7	28%	0.276	15%	0.154	S	C	.	.	H	α-helix	trans	-66.1	-46.1	-177.8	-65.4	178.9	152.5	0	0	111.1	R390 M407 S408 A409 I413 E414 S415	R390-E411 WeakPolarHBondContact CD-OE1 3.41Å; R390-E411 VanDerWaalsContact CZ-CG 3.41Å; R390-E411 PolarHBondContact NH2-O 3.46Å; M407-E411 HydrophobicContact CB-CB 3.84Å; S408-E411 PolarHBondContact N-OE2 3.5Å; S408-E411 WeakPolarHBondContact O-CA 2.98Å; S408-E411 WeakPolarHBondContact O-CB 3.36Å; S408-E411 PolarHBondContact O-N 3.35Å; S408-E411 WeakPolarHBondContact OG-CG 3.38Å; S408-E411 PolarHBondContact OG-OE2 3.3Å; S408-E411 VanDerWaalsContact OG-OE2 3.08Å; A409-E411 VanDerWaalsContact C-N 3.26Å; A409-E411 PolarHBondContact O-N 3.43Å; E411-I413 VanDerWaalsContact C-N 3.34Å; E411-I413 PolarHBondContact O-N 2.92Å; E411-E414 PolarHBondContact O-N 3.26Å; E411-S415 VanDerWaalsContact O-CB 3.3Å; E411-S415 WeakPolarHBondContact O-CB 3.49Å; E411-S415 PolarHBondContact O-N 2.73Å; E411-S415 PolarHBondContact O-OG 3.39Å
412	A	94.3	Very high	93.4	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-57.8	-47.2	176.7	0	0	0	0	0	111.4	M407 S408 A409 S415 Y416 P423 A584 V586 F656	M407-A412 HydrophobicContact CB-CB 4.41Å; S408-A412 PolarHBondContact O-N 3.47Å; A409-A412 PolarHBondContact O-N 3.21Å; A412-S415 PolarHBondContact O-N 2.89Å; A412-S415 PolarHBondContact O-OG 3.23Å; A412-Y416 WeakPolarHBondContact O-CB 3.4Å; A412-Y416 PolarHBondContact O-N 3.07Å; A412-P423 HydrophobicContact CB-CG 4.2Å; A412-A584 HydrophobicContact CB-CB 3.76Å; A412-V586 HydrophobicContact CB-CG2 3.72Å; A412-F656 HydrophobicContact CB-CZ 4.5Å
413	I	92.8	Very high	93.5	Very high	3 Å²	3	25.9 Å²	25.9	2%	0.015	13%	0.133	C	C	.	.	H	α-helix	trans	-63.1	-50	178.5	-63.7	163.4	0	0	0	111.2	A409 P410 E411 S415 Y416 I417 F656 M660 I661 Y664	A409-I413 WeakPolarHBondContact O-CD1 3.2Å; A409-I413 VanDerWaalsContact O-CG1 3.25Å; A409-I413 WeakPolarHBondContact O-CG1 3.19Å; A409-I413 PolarHBondContact O-N 3.03Å; P410-I413 PolarHBondContact O-N 3.42Å; E411-I413 VanDerWaalsContact C-N 3.34Å; E411-I413 PolarHBondContact O-N 2.92Å; I413-S415 VanDerWaalsContact C-N 3.27Å; I413-S415 PolarHBondContact O-N 3.38Å; I413-Y416 WeakPolarHBondContact O-CB 3.28Å; I413-Y416 PolarHBondContact O-N 3.45Å; I413-I417 HydrophobicContact CG2-CD1 3.66Å; I413-I417 HydrophobicContact CG2-CG1 4.44Å; I413-I417 VanDerWaalsContact O-CG1 3.32Å; I413-I417 WeakPolarHBondContact O-CG1 3.4Å; I413-I417 PolarHBondContact O-N 3.2Å; I413-F656 HydrophobicContact CD1-CB 4.03Å; I413-F656 HydrophobicContact CD1-CD1 4.12Å; I413-F656 HydrophobicContact CD1-CG 4.09Å; I413-F656 HydrophobicContact CG1-CD1 4.31Å; I413-F656 HydrophobicContact CG1-CD2 4.48Å; I413-F656 HydrophobicContact CG1-CG 4.19Å; I413-M660 HydrophobicContact CD1-CE 3.93Å; I413-M660 HydrophobicContact CD1-CG 3.89Å; I413-M660 HydrophobicContact CD1-SD 3.65Å; I413-I661 HydrophobicContact CD1-CD1 3.95Å; I413-I661 HydrophobicContact CG1-CD1 3.82Å; I413-I661 HydrophobicContact CG2-CD1 3.92Å; I413-Y664 HydrophobicContact CG2-CG 4.31Å
414	E	92.2	Very high	93.5	Very high	26 Å²	26	24.5 Å²	24.5	12%	0.121	13%	0.125	C	C	.	.	H	α-helix	trans	-57.6	-42.3	177.5	-75.4	174.8	179	0	0	112.1	R390 P410 E411 Y416 I417 K418 Y664 Y667 V668	R390-E414 IonicContact CZ-OE2 3.13Å; R390-E414 IonicContact NH1-OE2 2.91Å; R390-E414 PolarHBondContact NH1-OE2 2.96Å; R390-E414 IonicContact NH2-OE2 3.02Å; P410-E414 WeakPolarHBondContact O-CB 3.48Å; P410-E414 VanDerWaalsContact O-CG 3.27Å; P410-E414 WeakPolarHBondContact O-CG 3.25Å; P410-E414 PolarHBondContact O-N 3.28Å; E411-E414 PolarHBondContact O-N 3.26Å; E414-Y416 VanDerWaalsContact C-N 3.35Å; E414-I417 PolarHBondContact O-N 2.95Å; E414-K418 WeakPolarHBondContact O-CB 3.4Å; E414-K418 WeakPolarHBondContact O-CG 3.49Å; E414-K418 PolarHBondContact O-N 3.48Å; E414-Y664 HydrophobicContact CG-CD1 3.96Å; E414-Y664 HydrophobicContact CG-CE1 4.45Å; E414-Y667 WeakPolarHBondContact OE1-CE1 3.41Å; E414-V668 HydrophobicContact CB-CG2 4.28Å; E414-V668 HydrophobicContact CG-CG2 3.89Å
415	S	92.8	Very high	93.4	Very high	0 Å²	0	24.5 Å²	24.5	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-70.2	-33.4	-179.2	75.1	0	0	0	0	112.3	E411 A412 I413 H419 G420 L421	E411-S415 VanDerWaalsContact O-CB 3.3Å; E411-S415 WeakPolarHBondContact O-CB 3.49Å; E411-S415 PolarHBondContact O-N 2.73Å; E411-S415 PolarHBondContact O-OG 3.39Å; A412-S415 PolarHBondContact O-N 2.89Å; A412-S415 PolarHBondContact O-OG 3.23Å; I413-S415 VanDerWaalsContact C-N 3.27Å; I413-S415 PolarHBondContact O-N 3.38Å; S415-H419 CarbonylContact O-C 3.52Å; S415-H419 WeakPolarHBondContact O-CA 3.31Å; S415-H419 VanDerWaalsContact O-CB 3.26Å; S415-H419 WeakPolarHBondContact O-CB 3.35Å; S415-H419 PolarHBondContact O-N 2.97Å; S415-G420 PolarHBondContact O-N 3.36Å; S415-L421 PolarHBondContact O-N 2.92Å
416	Y	92.9	Very high	93.3	Very high	73 Å²	73	24.7 Å²	24.7	29%	0.286	13%	0.126	S	C	.	.	H	α-helix	trans	-62.6	-49.8	170.3	171.5	-102.3	0	0	0	111	A412 I413 E414 G420 L421 Y648 L652	A412-Y416 WeakPolarHBondContact O-CB 3.4Å; A412-Y416 PolarHBondContact O-N 3.07Å; I413-Y416 WeakPolarHBondContact O-CB 3.28Å; I413-Y416 PolarHBondContact O-N 3.45Å; E414-Y416 VanDerWaalsContact C-N 3.35Å; Y416-G420 WeakPolarHBondContact O-CA 3.15Å; Y416-G420 PolarHBondContact O-N 3.19Å; Y416-L421 WeakPolarHBondContact CA-O 3.39Å; Y416-L421 VanDerWaalsContact CB-O 3.29Å; Y416-L421 WeakPolarHBondContact CB-O 3.06Å; Y416-L421 WeakPolarHBondContact CD2-O 3.38Å; Y416-Y648 HydrophobicContact CD2-CE1 4.1Å; Y416-Y648 AromaticContact CE2-CD1 3.74Å; Y416-Y648 HydrophobicContact CE2-CD1 3.74Å; Y416-Y648 AromaticContact CE2-CE1 3.66Å; Y416-Y648 HydrophobicContact CE2-CE1 3.66Å; Y416-L652 HydrophobicContact CD1-CD1 3.51Å; Y416-L652 HydrophobicContact CD2-CD1 3.97Å; Y416-L652 HydrophobicContact CE1-CD1 3.31Å; Y416-L652 HydrophobicContact CE2-CD1 3.79Å; Y416-L652 HydrophobicContact CG-CD1 3.84Å; Y416-L652 VanDerWaalsContact CZ-CD1 3.45Å
417	I	90.4	Very high	93.2	Very high	57 Å²	57	23.5 Å²	23.5	29%	0.292	12%	0.12	S	C	.	.	H	α-helix	trans	-67	-45.5	-177.5	-61.6	162.7	0	0	0	111.6	I413 E414 E665 V668	I413-I417 HydrophobicContact CG2-CD1 3.66Å; I413-I417 HydrophobicContact CG2-CG1 4.44Å; I413-I417 VanDerWaalsContact O-CG1 3.32Å; I413-I417 WeakPolarHBondContact O-CG1 3.4Å; I413-I417 PolarHBondContact O-N 3.2Å; E414-I417 PolarHBondContact O-N 2.95Å; I417-E665 HydrophobicContact CD1-CB 4.41Å; I417-E665 HydrophobicContact CD1-CG 3.71Å; I417-E665 HydrophobicContact CG1-CG 4.35Å; I417-V668 HydrophobicContact CB-CG1 4.32Å; I417-V668 HydrophobicContact CD1-CG2 4.34Å; I417-V668 HydrophobicContact CG2-CB 4.14Å; I417-V668 HydrophobicContact CG2-CG1 3.62Å
418	K	91.5	Very high	93.1	Very high	93 Å²	93	24.6 Å²	24.6	40%	0.404	13%	0.126	S	C	.	.	H	α-helix	trans	-80.2	-35.5	-174.9	-70	-179.7	175	171.5	0	113.6	E414 V668	E414-K418 WeakPolarHBondContact O-CB 3.4Å; E414-K418 WeakPolarHBondContact O-CG 3.49Å; E414-K418 PolarHBondContact O-N 3.48Å; K418-V668 HydrophobicContact CD-CG1 4.22Å; K418-V668 HydrophobicContact CG-CG1 3.53Å; K418-V668 HydrophobicContact CG-CG2 4.5Å
419	H	91.9	Very high	92.9	Very high	76 Å²	76	22.9 Å²	22.9	35%	0.352	11%	0.113	S	C	.	.	H	α-helix	trans	-127.2	-7.1	-164.7	-58.2	-53.1	0	0	0	113.2	L398 S415 L421	L398-H419 HydrophobicContact CD1-CB 4.43Å; L398-H419 HydrophobicContact CD2-CB 4.07Å; S415-H419 CarbonylContact O-C 3.52Å; S415-H419 WeakPolarHBondContact O-CA 3.31Å; S415-H419 VanDerWaalsContact O-CB 3.26Å; S415-H419 WeakPolarHBondContact O-CB 3.35Å; S415-H419 PolarHBondContact O-N 2.97Å; H419-L421 HydrophobicContact CB-CG 4.08Å; H419-L421 PolarHBondContact O-N 3.46Å
420	G	91.7	Very high	92.5	Very high	22 Å²	22	26.9 Å²	26.9	23%	0.227	13%	0.132	C	C	.	.			trans	68.6	18.6	-177.7	0	0	0	0	0	114	S415 Y416 V422 K589	S415-G420 PolarHBondContact O-N 3.36Å; Y416-G420 WeakPolarHBondContact O-CA 3.15Å; Y416-G420 PolarHBondContact O-N 3.19Å; G420-V422 WeakPolarHBondContact O-CG2 3.4Å; G420-K589 WeakPolarHBondContact O-CB 3.5Å
421	L	94.6	Very high	92	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	16%	0.161	C	C	.	.			trans	-68.8	144.9	173.2	-57.6	-171.9	0	0	0	110.1	V394 L397 L398 M407 S415 Y416 H419 P423 V586 K589	V394-L421 HydrophobicContact CG1-CD1 4.2Å; L397-L421 HydrophobicContact CB-CD1 4.13Å; L397-L421 HydrophobicContact CB-CD2 4.03Å; L397-L421 HydrophobicContact CD1-CD1 3.81Å; L398-L421 HydrophobicContact CD2-CD2 4.15Å; L398-L421 HydrophobicContact CG-CD2 4.49Å; M407-L421 HydrophobicContact CE-CD1 4.21Å; S415-L421 PolarHBondContact O-N 2.92Å; Y416-L421 WeakPolarHBondContact CA-O 3.39Å; Y416-L421 VanDerWaalsContact CB-O 3.29Å; Y416-L421 WeakPolarHBondContact CB-O 3.06Å; Y416-L421 WeakPolarHBondContact CD2-O 3.38Å; H419-L421 HydrophobicContact CB-CG 4.08Å; H419-L421 PolarHBondContact O-N 3.46Å; L421-P423 WeakPolarHBondContact O-CD 3.16Å; L421-V586 HydrophobicContact CB-CG1 3.51Å; L421-V586 HydrophobicContact CD1-CG1 4.45Å; L421-K589 HydrophobicContact CD2-CB 4.42Å
422	V	94.4	Very high	90.9	Very high	10 Å²	10	35.3 Å²	35.3	6%	0.061	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	113.4	-163.2	-176.2	0	0	0	0	111.9	G420 I424 V586 A587 T644 Y648	G420-V422 WeakPolarHBondContact O-CG2 3.4Å; V422-I424 PolarHBondContact O-N 2.51Å; V422-V586 WeakPolarHBondContact O-CA 3.26Å; V422-A587 PolarHBondContact N-O 3.43Å; V422-A587 PolarHBondContact O-N 3.32Å; V422-T644 HydrophobicContact CG1-CG2 3.95Å; V422-Y648 HydrophobicContact CG1-CE1 3.76Å; V422-Y648 HydrophobicContact CG1-CE2 4.09Å; V422-Y648 VanDerWaalsContact CG1-CZ 3.46Å; V422-Y648 VanDerWaalsContact CG1-OH 3.29Å; V422-Y648 WeakPolarHBondContact CG1-OH 3.46Å
423	P	96.2	Very high	90.3	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-59.6	122.7	169.8	-25.8	34.2	0	0	0	113.3	A412 L421 A584 V642 Y648 L652 F656	A412-P423 HydrophobicContact CB-CG 4.2Å; L421-P423 WeakPolarHBondContact O-CD 3.16Å; P423-A584 HydrophobicContact CB-CB 4.36Å; P423-V642 WeakPolarHBondContact O-CB 3.45Å; P423-V642 WeakPolarHBondContact O-CG1 3.4Å; P423-Y648 WeakPolarHBondContact CD-OH 3.31Å; P423-Y648 PolarHBondContact O-OH 3.12Å; P423-L652 HydrophobicContact CB-CD2 4.16Å; P423-L652 HydrophobicContact CG-CD2 3.93Å; P423-F656 HydrophobicContact CB-CE2 3.96Å; P423-F656 HydrophobicContact CB-CZ 4.03Å; P423-F656 HydrophobicContact CG-CE2 4.13Å; P423-F656 HydrophobicContact CG-CZ 4.3Å
424	I	94.9	Very high	90.1	Very high	0 Å²	0	38.9 Å²	38.9	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	-17.3	-176.8	57.4	160.5	0	0	0	113.7	I404 V422 V585 A587 R596 L599 T600 L603 V642	I404-I424 HydrophobicContact CG2-CD1 3.94Å; V422-I424 PolarHBondContact O-N 2.51Å; I424-V585 HydrophobicContact CD1-CG1 4.12Å; I424-V585 HydrophobicContact CG1-CB 4.22Å; I424-V585 HydrophobicContact CG1-CG1 4.07Å; I424-V585 VanDerWaalsContact CG1-O 3.29Å; I424-V585 WeakPolarHBondContact CG1-O 3.42Å; I424-V585 PolarHBondContact N-O 3.19Å; I424-A587 HydrophobicContact CD1-CB 4.26Å; I424-A587 HydrophobicContact CG1-CB 4.42Å; I424-A587 HydrophobicContact CG2-CB 3.84Å; I424-R596 HydrophobicContact CG2-CB 4.09Å; I424-R596 HydrophobicContact CG2-CG 4.36Å; I424-L599 HydrophobicContact CD1-CB 3.61Å; I424-T600 WeakPolarHBondContact CB-OG1 3.28Å; I424-T600 WeakPolarHBondContact O-CG2 3.13Å; I424-T600 PolarHBondContact O-OG1 3.39Å; I424-L603 HydrophobicContact CD1-CD1 4.03Å; I424-L603 HydrophobicContact CG1-CD1 4.5Å; I424-V642 PolarHBondContact O-N 2.66Å
425	A	95.1	Very high	90	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.008	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-155.3	148.8	174.5	0	0	0	0	0	110.1	A584 V585 L603 L639 K640	A425-A584 CarbonylContact O-C 3.57Å; A425-A584 WeakPolarHBondContact O-CA 3.28Å; A425-A584 WeakPolarHBondContact O-CB 3.29Å; A425-V585 HydrophobicContact CB-CB 4.34Å; A425-V585 HydrophobicContact CB-CG2 4.5Å; A425-V585 PolarHBondContact N-O 2.85Å; A425-V585 PolarHBondContact O-N 2.02Å; A425-L603 HydrophobicContact CB-CD1 3.95Å; A425-L639 HydrophobicContact CB-CB 4.41Å; A425-K640 CarbonylContact C-O 3.59Å; A425-K640 VanDerWaalsContact CA-O 3.32Å; A425-K640 WeakPolarHBondContact CA-O 3.39Å
426	V	94.8	Very high	89.9	Confident	3 Å²	3	39.5 Å²	39.5	2%	0.018	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	142.4	176.1	69.3	0	0	0	0	110.9	I428 G582 L639 K640 V642 T655 F656	V426-I428 HydrophobicContact CG1-CD1 4.42Å; V426-G582 WeakPolarHBondContact CG2-O 3.37Å; V426-L639 CarbonylContact O-C 3.49Å; V426-L639 WeakPolarHBondContact O-CA 3.11Å; V426-K640 HydrophobicContact CG1-CB 3.85Å; V426-K640 HydrophobicContact CG1-CD 4.38Å; V426-K640 HydrophobicContact CG1-CG 4.43Å; V426-K640 PolarHBondContact N-O 3.14Å; V426-K640 PolarHBondContact O-N 3.27Å; V426-V642 HydrophobicContact CB-CG2 4.49Å; V426-V642 HydrophobicContact CG1-CG2 4.41Å; V426-T655 HydrophobicContact CB-CG2 4.22Å; V426-T655 HydrophobicContact CG1-CG2 3.71Å; V426-F656 HydrophobicContact CG2-CE1 4.1Å; V426-F656 HydrophobicContact CG2-CZ 4.47Å
427	E	93.2	Very high	90	Very high	4 Å²	4	36.3 Å²	36.3	2%	0.019	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	130.4	173.9	-67.1	175.6	126.8	0	0	110.9	L429 S583 F632 D633 T636 L639	E427-L429 HydrophobicContact CB-CD2 4.32Å; E427-S583 WeakPolarHBondContact CG-O 3.35Å; E427-S583 PolarHBondContact N-O 3.41Å; E427-S583 VanDerWaalsContact OE2-CA 3.26Å; E427-S583 WeakPolarHBondContact OE2-CA 3.38Å; E427-S583 WeakPolarHBondContact OE2-CB 3.47Å; E427-S583 PolarHBondContact OE2-N 3.04Å; E427-S583 PolarHBondContact OE2-OG 3.48Å; E427-F632 HydrophobicContact CG-CB 4.47Å; E427-F632 HydrophobicContact CG-CD1 3.88Å; E427-F632 VanDerWaalsContact OE1-C 3.24Å; E427-F632 WeakPolarHBondContact OE1-CA 3.36Å; E427-F632 WeakPolarHBondContact OE1-CB 3.49Å; E427-F632 VanDerWaalsContact OE1-CD1 3.31Å; E427-F632 WeakPolarHBondContact OE1-CD1 3.27Å; E427-D633 PolarHBondContact OE1-N 3.38Å; E427-T636 HydrophobicContact CB-CG2 4Å; E427-T636 HydrophobicContact CG-CG2 4.05Å; E427-T636 PolarHBondContact OE1-OG1 3.33Å; E427-L639 HydrophobicContact CG-CD2 3.98Å
428	I	91.8	Very high	90.2	Very high	28 Å²	28	33.8 Å²	33.8	14%	0.144	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	125.8	166.5	-57.3	-60.2	0	0	0	107.7	V426 T636 V637 R638 K640	V426-I428 HydrophobicContact CG1-CD1 4.42Å; I428-T636 WeakPolarHBondContact O-CA 3.44Å; I428-V637 HydrophobicContact CG2-CG2 4.26Å; I428-V637 VanDerWaalsContact O-CG2 3.32Å; I428-V637 WeakPolarHBondContact O-CG2 3.46Å; I428-V637 PolarHBondContact O-N 2.85Å; I428-R638 HydrophobicContact CB-CG 3.81Å; I428-R638 HydrophobicContact CG1-CG 4.19Å; I428-R638 HydrophobicContact CG2-CG 4.31Å; I428-R638 PolarHBondContact N-O 2.92Å; I428-K640 HydrophobicContact CD1-CB 3.81Å; I428-K640 HydrophobicContact CD1-CD 4.13Å; I428-K640 HydrophobicContact CG1-CB 3.62Å
429	L	88.9	Confident	90.4	Very high	4 Å²	4	29.4 Å²	29.4	2%	0.021	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95	157.2	-177	-48.4	-176.8	0	0	0	110.7	E427 D432 V433 A435 D633 R635	E427-L429 HydrophobicContact CB-CD2 4.32Å; L429-D432 PolarHBondContact O-N 3.17Å; L429-V433 HydrophobicContact CB-CG2 3.83Å; L429-V433 WeakPolarHBondContact CB-O 3.39Å; L429-V433 HydrophobicContact CD1-CG2 4.27Å; L429-A435 HydrophobicContact CD1-CB 4.27Å; L429-D633 HydrophobicContact CD2-CB 3.89Å; L429-R635 CarbonylContact C-O 3.37Å; L429-R635 WeakPolarHBondContact CA-O 3.28Å; L429-R635 HydrophobicContact CB-CB 4.3Å; L429-R635 HydrophobicContact CD2-CB 4.45Å
430	E	84.7	Confident	90.6	Very high	85 Å²	85	25.8 Å²	25.8	40%	0.397	14%	0.144	S	C	.	.	G	3₁₀ helix	trans	-56.2	138.8	177.5	-165.4	162	-179.5	0	0	111.6	D432 V433 R612 R635 V637	E430-D432 PolarHBondContact O-N 3.18Å; E430-V433 VanDerWaalsContact O-CG2 3.29Å; E430-V433 WeakPolarHBondContact O-CG2 3.41Å; E430-V433 PolarHBondContact O-N 2.78Å; E430-R612 IonicContact OE2-CZ 3.73Å; E430-R612 IonicContact OE2-NH1 2.91Å; E430-R612 PolarHBondContact OE2-NH1 2.93Å; E430-R612 IonicContact OE2-NH2 3.73Å; E430-R635 PolarHBondContact N-O 3.45Å; E430-V637 HydrophobicContact CB-CG1 3.8Å; E430-V637 HydrophobicContact CG-CG1 4.16Å
431	N	80.7	Confident	90.6	Very high	137 Å²	137	24.8 Å²	24.8	73%	0.733	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	59.5	24.9	-176	-50.7	-35.4	0	0	0	114.6	V433	N431-V433 HydrophobicContact CB-CG1 4.26Å; N431-V433 PolarHBondContact O-N 3.49Å
432	D	70	Confident	90.4	Very high	120 Å²	120	24.8 Å²	24.8	64%	0.642	13%	0.133	S	C	*	.	G	3₁₀ helix	trans	52.1	25.8	-178.5	-64.9	-43.9	0	0	0	113.7	L429 E430	L429-D432 PolarHBondContact O-N 3.17Å; E430-D432 PolarHBondContact O-N 3.18Å
433	V	81.3	Confident	89.9	Confident	22 Å²	22	26.2 Å²	26.2	13%	0.133	14%	0.142	C	C	.	.			trans	-66.7	150.6	174	-58.6	0	0	0	0	110.1	L429 E430 N431 Y437 Y544	L429-V433 HydrophobicContact CB-CG2 3.83Å; L429-V433 WeakPolarHBondContact CB-O 3.39Å; L429-V433 HydrophobicContact CD1-CG2 4.27Å; E430-V433 VanDerWaalsContact O-CG2 3.29Å; E430-V433 WeakPolarHBondContact O-CG2 3.41Å; E430-V433 PolarHBondContact O-N 2.78Å; N431-V433 HydrophobicContact CB-CG1 4.26Å; N431-V433 PolarHBondContact O-N 3.49Å; V433-Y437 WeakPolarHBondContact CA-OH 3.38Å; V433-Y544 HydrophobicContact CB-CD2 4.49Å; V433-Y544 HydrophobicContact CG1-CD2 3.99Å; V433-Y544 HydrophobicContact CG1-CE2 4.23Å
434	Q	89.3	Confident	89.3	Confident	56 Å²	56	31.4 Å²	31.4	26%	0.262	16%	0.164	S	C	.	.			trans	-83.3	156.1	176.7	-56.1	-65.8	-44	0	0	108.6	S436 Y437 T579 T580 P581	Q434-S436 VanDerWaalsContact C-N 3.27Å; Q434-S436 PolarHBondContact O-N 3.06Å; Q434-Y437 HydrophobicContact CB-CD1 4.39Å; Q434-Y437 HydrophobicContact CB-CE1 3.77Å; Q434-Y437 HydrophobicContact CB-CE2 4.06Å; Q434-Y437 HydrophobicContact CG-CE1 3.9Å; Q434-Y437 PolarHBondContact N-OH 3.36Å; Q434-T579 HydrophobicContact CG-CG2 3.97Å; Q434-T580 CarbonylContact C-O 3.53Å; Q434-T580 WeakPolarHBondContact CB-O 3.46Å; Q434-P581 VanDerWaalsContact OE1-CA 3.3Å
435	A	88.8	Confident	88.6	Confident	22 Å²	22	43.1 Å²	43.1	18%	0.182	21%	0.209	C	C	.	.	S	Bend	trans	-60.8	-43	176.7	0	0	0	0	0	110.5	L429 N543 T580 P581	L429-A435 HydrophobicContact CD1-CB 4.27Å; A435-N543 WeakPolarHBondContact O-CA 3.28Å; A435-N543 WeakPolarHBondContact O-CB 3.22Å; A435-T580 WeakPolarHBondContact CA-O 3.36Å; A435-T580 WeakPolarHBondContact CB-O 3.47Å; A435-T580 PolarHBondContact N-O 3.43Å; A435-P581 VanDerWaalsContact CB-O 3.22Å; A435-P581 WeakPolarHBondContact CB-O 3.45Å
436	S	92.2	Very high	88	Confident	17 Å²	17	48.5 Å²	48.5	12%	0.119	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.1	165.4	174.2	76.3	0	0	0	0	113.3	Q434 N541 L542 T580	Q434-S436 VanDerWaalsContact C-N 3.27Å; Q434-S436 PolarHBondContact O-N 3.06Å; S436-N541 WeakPolarHBondContact CB-OD1 3.36Å; S436-N541 PolarHBondContact OG-OD1 2.6Å; S436-L542 CarbonylContact C-O 3.58Å; S436-L542 VanDerWaalsContact CA-O 3.26Å; S436-L542 WeakPolarHBondContact CA-O 3.24Å; S436-L542 WeakPolarHBondContact CB-O 3.46Å; S436-T580 PolarHBondContact N-O 2.98Å; S436-T580 PolarHBondContact O-N 2.94Å; S436-T580 WeakPolarHBondContact OG-CB 3.32Å
437	Y	93.9	Very high	87.6	Confident	6 Å²	6	54.2 Å²	54.2	2%	0.024	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	119.9	-173.3	-62.5	-86.5	0	0	0	108.8	V433 Q434 L439 N541 L542 F572 T576 T579	V433-Y437 WeakPolarHBondContact CA-OH 3.38Å; Q434-Y437 HydrophobicContact CB-CD1 4.39Å; Q434-Y437 HydrophobicContact CB-CE1 3.77Å; Q434-Y437 HydrophobicContact CB-CE2 4.06Å; Q434-Y437 HydrophobicContact CG-CE1 3.9Å; Q434-Y437 PolarHBondContact N-OH 3.36Å; Y437-L439 PolarHBondContact O-N 3.41Å; Y437-N541 WeakPolarHBondContact O-CA 3.33Å; Y437-L542 PolarHBondContact N-O 3.17Å; Y437-L542 PolarHBondContact O-N 3.4Å; Y437-F572 HydrophobicContact CD1-CD2 4.05Å; Y437-F572 HydrophobicContact CD1-CE2 4.17Å; Y437-F572 HydrophobicContact CD2-CD2 4.17Å; Y437-F572 AromaticContact CD2-CE2 3.81Å; Y437-F572 HydrophobicContact CD2-CE2 3.81Å; Y437-F572 HydrophobicContact CE1-CD2 4.17Å; Y437-F572 AromaticContact CE1-CE2 3.91Å; Y437-F572 HydrophobicContact CE1-CE2 3.91Å; Y437-F572 HydrophobicContact CE2-CD2 4.33Å; Y437-F572 AromaticContact CE2-CE2 3.58Å; Y437-F572 HydrophobicContact CE2-CE2 3.58Å; Y437-F572 HydrophobicContact CG-CD2 4.02Å; Y437-F572 HydrophobicContact CG-CE2 4.1Å; Y437-F572 AromaticContact CZ-CE2 3.59Å; Y437-T576 HydrophobicContact CD1-CG2 3.54Å; Y437-T576 HydrophobicContact CE1-CG2 4.46Å; Y437-T576 HydrophobicContact CG-CG2 4.23Å; Y437-T579 HydrophobicContact CD1-CG2 3.9Å; Y437-T579 HydrophobicContact CE1-CG2 4.07Å
438	L	95.3	Very high	87.5	Confident	4 Å²	4	55.2 Å²	55.2	2%	0.021	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114	168	-179.2	60.5	0	0	0	108.7	T465 L468 L472 L540 N541 W577 L578	L438-T465 HydrophobicContact CD1-CG2 3.46Å; L438-T465 VanDerWaalsContact CD1-CG2 3.46Å; L438-L468 HydrophobicContact CD2-CB 4.36Å; L438-L472 HydrophobicContact CD2-CD1 3.53Å; L438-L540 CarbonylContact C-O 3.59Å; L438-L540 WeakPolarHBondContact CA-O 3.26Å; L438-N541 HydrophobicContact CD1-CB 4.47Å; L438-W577 HydrophobicContact CB-CB 4.38Å; L438-W577 HydrophobicContact CD2-CB 4.17Å; L438-W577 HydrophobicContact CG-CB 4.04Å; L438-W577 WeakPolarHBondContact O-CB 3.36Å; L438-W577 PolarHBondContact O-N 3.19Å; L438-L578 HydrophobicContact CB-CB 3.94Å; L438-L578 HydrophobicContact CD2-CB 4.15Å; L438-L578 PolarHBondContact N-O 3.19Å
439	L	95.2	Very high	87.5	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	142.7	-175.1	-58.2	179.7	0	0	0	110.2	Y437 V441 F539 L540 V547 L559 F572 C575 T576	Y437-L439 PolarHBondContact O-N 3.41Å; L439-V441 HydrophobicContact CB-CG2 4.37Å; L439-F539 CarbonylContact O-C 3.58Å; L439-F539 WeakPolarHBondContact O-CA 3.24Å; L439-L540 PolarHBondContact N-O 3.49Å; L439-L540 PolarHBondContact O-N 3.2Å; L439-V547 HydrophobicContact CD1-CG2 3.84Å; L439-L559 HydrophobicContact CB-CD2 4.07Å; L439-L559 HydrophobicContact CD1-CD2 4.2Å; L439-L559 HydrophobicContact CD2-CD2 4.4Å; L439-L559 HydrophobicContact CG-CD2 4.46Å; L439-F572 HydrophobicContact CD1-CB 4.33Å; L439-F572 HydrophobicContact CD2-CB 4.23Å; L439-C575 WeakPolarHBondContact CD2-O 3.39Å; L439-T576 HydrophobicContact CD2-CG2 3.45Å; L439-T576 VanDerWaalsContact CD2-CG2 3.45Å
440	A	95.4	Very high	87.8	Confident	1 Å²	1	55.3 Å²	55.3	1%	0.008	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	113.1	167.6	0	0	0	0	0	109	V537 A538 F539 L559 M560 W577	A440-V537 HydrophobicContact CB-CG2 4.11Å; A440-A538 CarbonylContact C-O 3.6Å; A440-A538 WeakPolarHBondContact CA-O 3.35Å; A440-F539 HydrophobicContact CB-CD1 3.69Å; A440-F539 HydrophobicContact CB-CE1 3.44Å; A440-F539 VanDerWaalsContact CB-CE1 3.44Å; A440-F539 HydrophobicContact CB-CZ 4.12Å; A440-L559 CarbonylContact O-C 3.45Å; A440-L559 WeakPolarHBondContact O-CA 3.4Å; A440-M560 HydrophobicContact CB-CB 4.12Å; A440-M560 HydrophobicContact CB-CE 3.76Å; A440-M560 PolarHBondContact O-N 3.21Å; A440-W577 HydrophobicContact CB-CZ2 4.28Å
441	V	91.8	Very high	88.2	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	129.6	-174.2	-172.7	0	0	0	0	109.7	L439 L508 L511 V537 A538 L540 L550 F557 L559	L439-V441 HydrophobicContact CB-CG2 4.37Å; V441-L508 HydrophobicContact CB-CD2 4.29Å; V441-L508 HydrophobicContact CG1-CD2 3.96Å; V441-L508 WeakPolarHBondContact O-CD2 3.11Å; V441-L511 HydrophobicContact CG1-CD1 4.08Å; V441-V537 WeakPolarHBondContact O-CA 3.18Å; V441-A538 HydrophobicContact CB-CB 4.42Å; V441-A538 PolarHBondContact N-O 2.85Å; V441-A538 PolarHBondContact O-N 3.11Å; V441-L540 HydrophobicContact CG2-CD1 3.93Å; V441-L550 HydrophobicContact CG2-CD2 4.28Å; V441-F557 HydrophobicContact CG1-CB 3.73Å; V441-F557 HydrophobicContact CG1-CD1 4.07Å; V441-F557 HydrophobicContact CG1-CG 3.98Å; V441-L559 HydrophobicContact CG2-CD2 4.2Å
442	L	90	Very high	88.8	Confident	0 Å²	0	53 Å²	53	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	159.3	176.1	-57.5	-179.4	0	0	0	109.8	L448 D536 V537 F557 M558 M560	L442-L448 HydrophobicContact CD1-CB 4.16Å; L442-L448 HydrophobicContact CD2-CB 4.48Å; L442-L448 HydrophobicContact CD2-CD1 4.38Å; L442-D536 WeakPolarHBondContact CD2-O 3.3Å; L442-V537 HydrophobicContact CD2-CB 3.47Å; L442-V537 VanDerWaalsContact CD2-CB 3.47Å; L442-V537 HydrophobicContact CD2-CG2 3.6Å; L442-F557 CarbonylContact O-C 3.5Å; L442-F557 VanDerWaalsContact O-CA 3.22Å; L442-F557 WeakPolarHBondContact O-CA 3.43Å; L442-M558 PolarHBondContact N-O 3.49Å; L442-M558 PolarHBondContact O-N 3.5Å; L442-M560 HydrophobicContact CD1-CB 3.71Å; L442-M560 HydrophobicContact CD1-CG 4.24Å; L442-M560 HydrophobicContact CD1-SD 4.2Å; L442-M560 HydrophobicContact CG-CB 3.96Å
443	T	84.6	Confident	89.9	Confident	41 Å²	41	47.2 Å²	47.2	25%	0.252	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	150.5	160.8	65.4	0	0	0	0	109.8	R445 R446 L508 L556 F557	T443-R445 PolarHBondContact O-N 3.26Å; T443-R445 VanDerWaalsContact O-N 3.08Å; T443-R446 PolarHBondContact O-N 3.03Å; T443-R446 WeakPolarHBondContact OG1-CG 3.38Å; T443-L508 HydrophobicContact CG2-CD1 4.16Å; T443-L508 HydrophobicContact CG2-CG 4.03Å; T443-L556 CarbonylContact C-O 3.47Å; T443-F557 HydrophobicContact CG2-CD1 4.4Å; T443-F557 HydrophobicContact CG2-CE1 4.26Å
444	K	82.8	Confident	90.5	Very high	108 Å²	108	54.3 Å²	54.3	47%	0.47	27%	0.265	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.5	-30.4	178.3	-86.8	-179.6	172.1	174	0	113.9	N555 L556 M558	K444-N555 VanDerWaalsContact CD-O 3.25Å; K444-N555 WeakPolarHBondContact CD-O 3.37Å; K444-N555 WeakPolarHBondContact CE-O 3.03Å; K444-N555 PolarHBondContact NZ-O 2.9Å; K444-L556 PolarHBondContact N-O 2.82Å; K444-M558 HydrophobicContact CG-CE 4.36Å; K444-M558 HydrophobicContact CG-CG 3.54Å; K444-M558 HydrophobicContact CG-SD 4.02Å
445	R	81.3	Confident	90.6	Very high	246 Å²	246	52.9 Å²	52.9	93%	0.928	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-26.3	-178.9	-62.5	-176.7	-178.4	178.7	-0.1	113.4	T443	T443-R445 PolarHBondContact O-N 3.26Å; T443-R445 VanDerWaalsContact O-N 3.08Å
446	R	82.6	Confident	90.8	Very high	114 Å²	114	52.2 Å²	52.2	43%	0.43	26%	0.26	S	S	.	.			trans	-83.4	129.7	-178.5	-74.5	-61.9	-160.4	-151.8	3.6	109.8	T443 D536 R566	T443-R446 PolarHBondContact O-N 3.03Å; T443-R446 WeakPolarHBondContact OG1-CG 3.38Å; R446-D536 IonicContact CZ-OD1 2.75Å; R446-D536 IonicContact NE-OD1 3.14Å; R446-D536 PolarHBondContact NE-OD1 3.47Å; R446-D536 IonicContact NH2-OD1 2.67Å; R446-D536 PolarHBondContact NH2-OD1 2.79Å; R446-R566 PolarHBondContact O-NH1 3.4Å; R446-R566 PolarHBondContact O-NH2 2.81Å
447	N	85.1	Confident	90.6	Very high	123 Å²	123	53.2 Å²	53.2	66%	0.658	26%	0.263	S	S	*	.			trans	-106.4	97.1	169.9	-161	12	0	0	0	112.1	R566	N447-R566 VanDerWaalsContact CA-CZ 3.48Å; N447-R566 PolarHBondContact OD1-NE 2.86Å; N447-R566 PolarHBondContact OD1-NH2 3.48Å
448	L	91.1	Very high	90.4	Very high	26 Å²	26	53.1 Å²	53.1	14%	0.136	26%	0.263	C	S	.	.			trans	-130.6	136.9	177.5	-70.3	174.6	0	0	0	109.9	L442 Q452 A456 D536 M560 R566	L442-L448 HydrophobicContact CD1-CB 4.16Å; L442-L448 HydrophobicContact CD2-CB 4.48Å; L442-L448 HydrophobicContact CD2-CD1 4.38Å; L448-Q452 HydrophobicContact CD2-CB 4.12Å; L448-A456 HydrophobicContact CD1-CB 4.34Å; L448-D536 HydrophobicContact CD1-CB 3.75Å; L448-M560 HydrophobicContact CB-SD 4.25Å; L448-R566 PolarHBondContact O-NH2 3.44Å
449	A	93.7	Very high	90.1	Very high	27 Å²	27	53.6 Å²	53.6	22%	0.223	27%	0.266	C	S	.	.			trans	-109.2	161.8	164.7	0	0	0	0	0	110	G451 Q452	A449-G451 VanDerWaalsContact C-N 3.27Å; A449-G451 PolarHBondContact O-N 3.11Å; A449-G451 VanDerWaalsContact O-N 3.16Å; A449-Q452 WeakPolarHBondContact O-CB 3.18Å; A449-Q452 PolarHBondContact O-N 3.41Å
450	P	94.1	Very high	89.8	Confident	7 Å²	7	54.9 Å²	54.9	5%	0.045	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-51.3	-40.8	-179	-30.1	36.5	0	0	0	114.5	Q452 L453 L476 I478 M560 C561 W577	P450-Q452 PolarHBondContact O-N 3.41Å; P450-L453 WeakPolarHBondContact O-CB 3.48Å; P450-L453 WeakPolarHBondContact O-CD1 3.23Å; P450-L453 VanDerWaalsContact O-CG 3.3Å; P450-L453 WeakPolarHBondContact O-CG 3.37Å; P450-L453 PolarHBondContact O-N 3.19Å; P450-L476 HydrophobicContact CB-CD1 4.5Å; P450-I478 HydrophobicContact CB-CD1 3.42Å; P450-I478 VanDerWaalsContact CB-CD1 3.42Å; P450-M560 HydrophobicContact CG-CG 4.48Å; P450-C561 WeakPolarHBondContact CG-O 3.14Å; P450-W577 HydrophobicContact CB-CH2 4.13Å; P450-W577 HydrophobicContact CB-CZ2 4.34Å; P450-W577 HydrophobicContact CG-CH2 4.25Å; P450-W577 HydrophobicContact CG-CZ2 3.97Å
451	G	92.8	Very high	89.2	Confident	61 Å²	61	55.5 Å²	55.5	63%	0.629	28%	0.279	S	S	*	.	G	3₁₀ helix	trans	-68	-12.3	178.1	0	0	0	0	0	115.1	A449	A449-G451 VanDerWaalsContact C-N 3.27Å; A449-G451 PolarHBondContact O-N 3.11Å; A449-G451 VanDerWaalsContact O-N 3.16Å
452	Q	93.1	Very high	88.9	Confident	111 Å²	111	57 Å²	57	52%	0.519	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-102.8	10.5	179.8	-58.9	175	-61.3	0	0	112.5	L448 A449 P450 Y454	L448-Q452 HydrophobicContact CD2-CB 4.12Å; A449-Q452 WeakPolarHBondContact O-CB 3.18Å; A449-Q452 PolarHBondContact O-N 3.41Å; P450-Q452 PolarHBondContact O-N 3.41Å; Q452-Y454 VanDerWaalsContact C-N 3.28Å; Q452-Y454 PolarHBondContact O-N 3.28Å
453	L	94.2	Very high	88.7	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	32%	0.316	C	S	.	.			trans	-75.9	-15	-177.4	-73.3	175.6	0	0	0	113.9	P450 G455 A456 L473 F493 F494 V537 F539 M560 W577	P450-L453 WeakPolarHBondContact O-CB 3.48Å; P450-L453 WeakPolarHBondContact O-CD1 3.23Å; P450-L453 VanDerWaalsContact O-CG 3.3Å; P450-L453 WeakPolarHBondContact O-CG 3.37Å; P450-L453 PolarHBondContact O-N 3.19Å; L453-G455 PolarHBondContact O-N 2.86Å; L453-A456 HydrophobicContact CD2-CB 4.43Å; L453-A456 VanDerWaalsContact O-CB 3.27Å; L453-A456 WeakPolarHBondContact O-CB 3.32Å; L453-A456 PolarHBondContact O-N 3.41Å; L453-L473 HydrophobicContact CD1-CD1 4.49Å; L453-L473 HydrophobicContact CD1-CD2 3.76Å; L453-F493 HydrophobicContact CB-CE1 3.67Å; L453-F493 HydrophobicContact CB-CZ 4.07Å; L453-F494 HydrophobicContact CB-CE1 3.9Å; L453-F494 HydrophobicContact CB-CZ 4.38Å; L453-F494 HydrophobicContact CD1-CZ 4.46Å; L453-F494 HydrophobicContact CD2-CE1 4.29Å; L453-F494 HydrophobicContact CG-CE1 4.48Å; L453-V537 HydrophobicContact CD2-CG1 3.91Å; L453-F539 HydrophobicContact CD1-CZ 4.03Å; L453-M560 HydrophobicContact CD1-CE 3.82Å; L453-M560 HydrophobicContact CD2-CE 3.87Å; L453-M560 HydrophobicContact CD2-SD 4.24Å; L453-M560 HydrophobicContact CG-CE 4.2Å; L453-W577 HydrophobicContact CD1-CH2 4.15Å
454	Y	93.6	Very high	88.8	Confident	170 Å²	170	60.4 Å²	60.4	67%	0.667	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	123.3	175.3	-178.2	-98.2	0	0	0	110.5	Q452 A456 F493	Q452-Y454 VanDerWaalsContact C-N 3.28Å; Q452-Y454 PolarHBondContact O-N 3.28Å; Y454-A456 VanDerWaalsContact C-N 3.26Å; Y454-A456 PolarHBondContact O-N 3.24Å; Y454-F493 AromaticContact CD2-CD2 3.81Å; Y454-F493 HydrophobicContact CD2-CD2 3.81Å; Y454-F493 HydrophobicContact CD2-CE2 4.07Å; Y454-F493 HydrophobicContact CD2-CG 4.4Å
455	G	91.3	Very high	89.2	Confident	27 Å²	27	55.8 Å²	55.8	28%	0.278	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	2.7	-177.1	0	0	0	0	0	115.3	L453 F493 K495	L453-G455 PolarHBondContact O-N 2.86Å; G455-F493 PolarHBondContact N-O 2.97Å; G455-K495 VanDerWaalsContact O-CD 3.22Å; G455-K495 WeakPolarHBondContact O-CD 3.4Å; G455-K495 VanDerWaalsContact O-CG 3.28Å; G455-K495 WeakPolarHBondContact O-CG 3.13Å
456	A	92	Very high	89.7	Confident	7 Å²	7	46.8 Å²	46.8	6%	0.058	27%	0.271	C	S	.	.			trans	-73.4	149.7	174.4	0	0	0	0	0	111.2	L448 L453 Y454 A458 K495 D536	L448-A456 HydrophobicContact CD1-CB 4.34Å; L453-A456 HydrophobicContact CD2-CB 4.43Å; L453-A456 VanDerWaalsContact O-CB 3.27Å; L453-A456 WeakPolarHBondContact O-CB 3.32Å; L453-A456 PolarHBondContact O-N 3.41Å; Y454-A456 VanDerWaalsContact C-N 3.26Å; Y454-A456 PolarHBondContact O-N 3.24Å; A456-A458 PolarHBondContact O-N 3.45Å; A456-K495 PolarHBondContact O-N 3.22Å; A456-D536 HydrophobicContact CB-CB 4.4Å
457	K	89.1	Confident	90.1	Very high	39 Å²	39	42 Å²	42	17%	0.17	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.5	102.9	172.7	-64.7	-179.1	179	-173.4	0	109.1	K495 A497 E533 G534 A535 D536 V537	K457-K495 WeakPolarHBondContact CA-O 3.39Å; K457-K495 HydrophobicContact CG-CB 3.94Å; K457-A497 HydrophobicContact CB-CB 4.26Å; K457-E533 VanDerWaalsContact NZ-CD 3.31Å; K457-E533 IonicContact NZ-OE1 3.72Å; K457-E533 PolarHBondContact NZ-OE1 2.81Å; K457-G534 WeakPolarHBondContact CD-O 3.3Å; K457-A535 CarbonylContact O-C 3.49Å; K457-A535 WeakPolarHBondContact O-CA 3.35Å; K457-D536 WeakPolarHBondContact CB-OD2 3.01Å; K457-D536 PolarHBondContact N-OD2 3.39Å; K457-D536 PolarHBondContact O-N 2.79Å; K457-V537 PolarHBondContact O-N 2.93Å
458	A	89.8	Confident	90.5	Very high	4 Å²	4	36.3 Å²	36.3	3%	0.033	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	138.5	-179.5	0	0	0	0	0	112.2	A456 F460 F494 A497 V537 F539	A456-A458 PolarHBondContact O-N 3.45Å; A458-F460 HydrophobicContact CB-CE2 3.86Å; A458-F460 HydrophobicContact CB-CZ 3.83Å; A458-F494 HydrophobicContact CB-CB 4.3Å; A458-F494 HydrophobicContact CB-CD1 3.37Å; A458-F494 HydrophobicContact CB-CD2 4.32Å; A458-F494 HydrophobicContact CB-CE1 3.58Å; A458-F494 HydrophobicContact CB-CG 3.76Å; A458-F494 HydrophobicContact CB-CZ 4.16Å; A458-A497 WeakPolarHBondContact O-CB 3.14Å; A458-V537 WeakPolarHBondContact CA-O 3.24Å; A458-V537 HydrophobicContact CB-CG1 3.7Å; A458-F539 HydrophobicContact CB-CE2 4.4Å
459	C	87.9	Confident	90.7	Very high	13 Å²	13	35.1 Å²	35.1	9%	0.088	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	155.6	165.3	80.1	0	0	0	0	111	A497 L508 C512 A535 V537 A538 F539	C459-A497 HydrophobicContact CB-CB 4.2Å; C459-L508 PolarHBondContact SG-O 3.38Å; C459-C512 HydrophobicContact CB-CB 3.74Å; C459-C512 WeakPolarHBondContact CB-SG 3.41Å; C459-C512 WeakPolarHBondContact SG-CB 3.46Å; C459-C512 CovalentContact SG-SG 2.06Å; C459-C512 PolarHBondContact SG-SG 2.83Å; C459-A535 HydrophobicContact CB-CB 4.15Å; C459-V537 PolarHBondContact N-O 2.79Å; C459-A538 WeakPolarHBondContact O-CA 3.43Å; C459-A538 WeakPolarHBondContact SG-CB 3.46Å; C459-F539 PolarHBondContact O-N 3.01Å
460	F	88.5	Confident	90.7	Very high	27 Å²	27	33.8 Å²	33.8	12%	0.118	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	136.1	-176.1	-56.6	-90.5	0	0	0	109.8	A458 G462 R466 T469 H490 F494 C512 F539	A458-F460 HydrophobicContact CB-CE2 3.86Å; A458-F460 HydrophobicContact CB-CZ 3.83Å; F460-G462 PolarHBondContact O-N 3.09Å; F460-R466 HydrophobicContact CB-CB 3.89Å; F460-R466 VanDerWaalsContact CD1-CA 3.42Å; F460-R466 HydrophobicContact CD1-CB 3.79Å; F460-R466 HydrophobicContact CD1-CG 4.1Å; F460-R466 HydrophobicContact CD2-CB 4.06Å; F460-R466 HydrophobicContact CD2-CG 3.86Å; F460-R466 HydrophobicContact CE1-CB 4.34Å; F460-R466 HydrophobicContact CE1-CG 4.21Å; F460-R466 HydrophobicContact CE2-CG 3.99Å; F460-R466 HydrophobicContact CG-CB 3.63Å; F460-R466 HydrophobicContact CG-CG 3.93Å; F460-R466 HydrophobicContact CZ-CG 4.17Å; F460-T469 HydrophobicContact CE1-CG2 3.95Å; F460-H490 AromaticContact CE2-CD2 3.64Å; F460-H490 AromaticContact CE2-NE2 3.51Å; F460-F494 HydrophobicContact CE2-CD2 4.49Å; F460-F494 AromaticContact CZ-CD2 3.98Å; F460-F494 HydrophobicContact CZ-CD2 3.98Å; F460-F494 AromaticContact CZ-CE2 3.79Å; F460-F494 HydrophobicContact CZ-CE2 3.79Å; F460-F494 HydrophobicContact CZ-CZ 4.31Å; F460-C512 PolarHBondContact N-SG 3.35Å; F460-C512 VanDerWaalsContact N-SG 3.36Å; F460-F539 CarbonylContact C-O 3.3Å; F460-F539 WeakPolarHBondContact CA-O 3.42Å; F460-F539 HydrophobicContact CD1-CB 3.66Å; F460-F539 AromaticContact CD1-CD2 3.94Å; F460-F539 HydrophobicContact CD1-CD2 3.94Å; F460-F539 HydrophobicContact CD1-CG 4.11Å; F460-F539 HydrophobicContact CE1-CB 4.05Å; F460-F539 AromaticContact CE1-CD2 3.48Å; F460-F539 HydrophobicContact CE1-CD2 3.48Å; F460-F539 VanDerWaalsContact CE1-CD2 3.48Å; F460-F539 HydrophobicContact CE1-CE2 4.17Å; F460-F539 AromaticContact CE1-CG 3.96Å; F460-F539 HydrophobicContact CE1-CG 3.96Å; F460-F539 HydrophobicContact CZ-CD2 4.12Å
461	G	83.8	Confident	90.8	Very high	15 Å²	15	33.8 Å²	33.8	16%	0.155	21%	0.206	C	C	.	.	S	Bend	trans	-70.1	20.3	175.9	0	0	0	0	0	115	F539	G461-F539 PolarHBondContact N-O 2.91Å
462	G	85.2	Confident	90.9	Very high	30 Å²	30	31.2 Å²	31.2	31%	0.309	18%	0.178	S	C	.	.	S	Bend	trans	149.6	163.3	179.2	0	0	0	0	0	114	F460 T464 T465 R466	F460-G462 PolarHBondContact O-N 3.09Å; G462-T464 PolarHBondContact O-N 2.83Å; G462-T465 WeakPolarHBondContact O-CB 3.36Å; G462-T465 PolarHBondContact O-N 3.06Å; G462-R466 PolarHBondContact O-N 3.24Å
463	G	85.5	Confident	91	Very high	46 Å²	46	25.9 Å²	25.9	47%	0.474	15%	0.153	S	C	.	.	H	α-helix	trans	-63.6	-39.1	-179.1	0	0	0	0	0	113.8	R466 T467	G463-R466 PolarHBondContact O-N 3.43Å; G463-T467 PolarHBondContact O-N 3.45Å; G463-T467 PolarHBondContact O-OG1 2.93Å
464	T	87.7	Confident	90.9	Very high	68 Å²	68	28.2 Å²	28.2	42%	0.417	16%	0.164	S	C	.	.	H	α-helix	trans	-63.6	-47.4	174.6	-51.1	0	0	0	0	110.8	G462 R466 T467 L468	G462-T464 PolarHBondContact O-N 2.83Å; T464-R466 VanDerWaalsContact C-N 3.34Å; T464-R466 PolarHBondContact O-N 2.95Å; T464-T467 PolarHBondContact O-N 3.23Å; T464-T467 VanDerWaalsContact O-N 3.09Å; T464-L468 HydrophobicContact CG2-CD1 4Å; T464-L468 HydrophobicContact CG2-CG 4.27Å; T464-L468 WeakPolarHBondContact O-CG 3.27Å; T464-L468 PolarHBondContact O-N 3.46Å
465	T	90.4	Very high	90.9	Very high	11 Å²	11	26 Å²	26	7%	0.067	16%	0.155	C	C	.	.	H	α-helix	trans	-55.2	-48.7	176.1	-59.9	0	0	0	0	111.5	L438 G462 T467 L468 T469 F539	L438-T465 HydrophobicContact CD1-CG2 3.46Å; L438-T465 VanDerWaalsContact CD1-CG2 3.46Å; G462-T465 WeakPolarHBondContact O-CB 3.36Å; G462-T465 PolarHBondContact O-N 3.06Å; T465-T467 VanDerWaalsContact C-N 3.33Å; T465-T467 PolarHBondContact O-N 3.14Å; T465-L468 PolarHBondContact O-N 2.98Å; T465-T469 PolarHBondContact O-N 2.8Å; T465-T469 PolarHBondContact O-OG1 2.84Å; T465-F539 HydrophobicContact CG2-CB 4.19Å; T465-F539 WeakPolarHBondContact CG2-O 3.38Å
466	R	92	Very high	91	Very high	56 Å²	56	28.1 Å²	28.1	21%	0.211	16%	0.159	C	C	.	.	H	α-helix	trans	-54.2	-48.9	174.2	-177.1	-175.3	64.9	155.5	4.6	112	F460 G462 G463 T464 T469 L470 D487	F460-R466 HydrophobicContact CB-CB 3.89Å; F460-R466 VanDerWaalsContact CD1-CA 3.42Å; F460-R466 HydrophobicContact CD1-CB 3.79Å; F460-R466 HydrophobicContact CD1-CG 4.1Å; F460-R466 HydrophobicContact CD2-CB 4.06Å; F460-R466 HydrophobicContact CD2-CG 3.86Å; F460-R466 HydrophobicContact CE1-CB 4.34Å; F460-R466 HydrophobicContact CE1-CG 4.21Å; F460-R466 HydrophobicContact CE2-CG 3.99Å; F460-R466 HydrophobicContact CG-CB 3.63Å; F460-R466 HydrophobicContact CG-CG 3.93Å; F460-R466 HydrophobicContact CZ-CG 4.17Å; G462-R466 PolarHBondContact O-N 3.24Å; G463-R466 PolarHBondContact O-N 3.43Å; T464-R466 VanDerWaalsContact C-N 3.34Å; T464-R466 PolarHBondContact O-N 2.95Å; R466-T469 PolarHBondContact O-N 2.74Å; R466-L470 HydrophobicContact CG-CD1 4.43Å; R466-L470 WeakPolarHBondContact O-CG 2.99Å; R466-L470 PolarHBondContact O-N 2.83Å; R466-D487 IonicContact CZ-OD1 2.69Å; R466-D487 IonicContact NH1-OD1 2.84Å; R466-D487 PolarHBondContact NH1-OD1 3.47Å; R466-D487 IonicContact NH2-OD1 3.16Å; R466-D487 PolarHBondContact NH2-OD1 2.94Å
467	T	92.1	Very high	91.1	Very high	13 Å²	13	38.9 Å²	38.9	8%	0.08	20%	0.198	C	C	.	.	H	α-helix	trans	-64.6	-44.9	-177.2	-50.7	0	0	0	0	111.7	G463 T464 T465 T469 L470 I471 F486 Y667	G463-T467 PolarHBondContact O-N 3.45Å; G463-T467 PolarHBondContact O-OG1 2.93Å; T464-T467 PolarHBondContact O-N 3.23Å; T464-T467 VanDerWaalsContact O-N 3.09Å; T465-T467 VanDerWaalsContact C-N 3.33Å; T465-T467 PolarHBondContact O-N 3.14Å; T467-T469 PolarHBondContact O-N 2.96Å; T467-L470 PolarHBondContact O-N 2.04Å; T467-I471 HydrophobicContact CG2-CD1 4.36Å; T467-I471 WeakPolarHBondContact O-CG1 3.44Å; T467-I471 PolarHBondContact O-N 2.82Å; T467-I471 VanDerWaalsContact O-N 3.11Å; T467-F486 HydrophobicContact CG2-CD1 3.72Å; T467-F486 HydrophobicContact CG2-CD2 3.9Å; T467-F486 HydrophobicContact CG2-CE1 3.52Å; T467-F486 HydrophobicContact CG2-CE2 3.72Å; T467-F486 HydrophobicContact CG2-CG 3.9Å; T467-F486 HydrophobicContact CG2-CZ 3.53Å; T467-Y667 HydrophobicContact CG2-CD2 3.55Å; T467-Y667 HydrophobicContact CG2-CE2 3.63Å
468	L	93.3	Very high	91.3	Very high	5 Å²	5	39.1 Å²	39.1	3%	0.026	20%	0.201	C	C	.	.	H	α-helix	trans	-61.9	-42.4	176.5	-65.3	173.7	0	0	0	111.4	L438 T464 T465 L470 I471 L472 L578 I663 Y664	L438-L468 HydrophobicContact CD2-CB 4.36Å; T464-L468 HydrophobicContact CG2-CD1 4Å; T464-L468 HydrophobicContact CG2-CG 4.27Å; T464-L468 WeakPolarHBondContact O-CG 3.27Å; T464-L468 PolarHBondContact O-N 3.46Å; T465-L468 PolarHBondContact O-N 2.98Å; L468-L470 PolarHBondContact O-N 2.78Å; L468-I471 PolarHBondContact O-N 3.04Å; L468-L472 WeakPolarHBondContact O-CD1 3.27Å; L468-L472 WeakPolarHBondContact O-CG 2.99Å; L468-L472 PolarHBondContact O-N 3.41Å; L468-L578 HydrophobicContact CD1-CD2 4.42Å; L468-I663 HydrophobicContact CD2-CG2 3.55Å; L468-Y664 HydrophobicContact CD2-CE1 4.33Å; L468-Y664 HydrophobicContact CD2-CE2 4.2Å
469	T	94.3	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	20%	0.203	C	C	.	.	H	α-helix	trans	-59.5	-44	175.5	-61.3	0	0	0	0	111.9	F460 T465 R466 T467 I471 L472 L473 F539 W577	F460-T469 HydrophobicContact CE1-CG2 3.95Å; T465-T469 PolarHBondContact O-N 2.8Å; T465-T469 PolarHBondContact O-OG1 2.84Å; R466-T469 PolarHBondContact O-N 2.74Å; T467-T469 PolarHBondContact O-N 2.96Å; T469-I471 VanDerWaalsContact C-N 3.33Å; T469-I471 PolarHBondContact O-N 2.96Å; T469-L472 WeakPolarHBondContact O-CB 3.41Å; T469-L472 PolarHBondContact O-N 2.85Å; T469-L473 HydrophobicContact CG2-CD1 4.09Å; T469-L473 HydrophobicContact CG2-CG 4.4Å; T469-L473 WeakPolarHBondContact O-CG 3.3Å; T469-L473 PolarHBondContact O-N 3.03Å; T469-F539 HydrophobicContact CG2-CD1 3.6Å; T469-F539 HydrophobicContact CG2-CD2 4.07Å; T469-F539 HydrophobicContact CG2-CE1 3.5Å; T469-F539 HydrophobicContact CG2-CE2 4Å; T469-F539 HydrophobicContact CG2-CG 3.87Å; T469-F539 HydrophobicContact CG2-CZ 3.72Å; T469-W577 HydrophobicContact CG2-CZ3 4.43Å
470	L	94.7	Very high	91.5	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-65.3	-36.4	178.4	-63.4	170.5	0	0	0	112.4	R466 T467 L468 L473 E474 L479 L481 F486 H490 F494	R466-L470 HydrophobicContact CG-CD1 4.43Å; R466-L470 WeakPolarHBondContact O-CG 2.99Å; R466-L470 PolarHBondContact O-N 2.83Å; T467-L470 PolarHBondContact O-N 2.04Å; L468-L470 PolarHBondContact O-N 2.78Å; L470-L473 PolarHBondContact O-N 2.85Å; L470-E474 PolarHBondContact O-N 3.04Å; L470-L479 HydrophobicContact CD2-CD2 3.82Å; L470-L481 HydrophobicContact CB-CD2 3.81Å; L470-F486 HydrophobicContact CB-CD1 4.37Å; L470-F486 HydrophobicContact CD1-CB 4.21Å; L470-F486 HydrophobicContact CD1-CD1 4.05Å; L470-H490 HydrophobicContact CD1-CB 4.15Å; L470-F494 HydrophobicContact CD2-CD2 4.42Å; L470-F494 HydrophobicContact CD2-CE2 4Å
471	I	94.8	Very high	91.3	Very high	7 Å²	7	47.1 Å²	47.1	4%	0.036	23%	0.229	C	C	.	.	H	α-helix	trans	-64.5	-41.5	173.7	-66.2	168.5	0	0	0	110.8	T467 L468 T469 E474 R475 L481 F486 I663 R666 Y667	T467-I471 HydrophobicContact CG2-CD1 4.36Å; T467-I471 WeakPolarHBondContact O-CG1 3.44Å; T467-I471 PolarHBondContact O-N 2.82Å; T467-I471 VanDerWaalsContact O-N 3.11Å; L468-I471 PolarHBondContact O-N 3.04Å; T469-I471 VanDerWaalsContact C-N 3.33Å; T469-I471 PolarHBondContact O-N 2.96Å; I471-E474 WeakPolarHBondContact O-CB 3.49Å; I471-E474 PolarHBondContact O-N 3.4Å; I471-R475 PolarHBondContact O-N 3.39Å; I471-L481 HydrophobicContact CG1-CD1 3.8Å; I471-F486 HydrophobicContact CD1-CE1 4.3Å; I471-F486 HydrophobicContact CD1-CZ 4.23Å; I471-F486 HydrophobicContact CG1-CE1 3.9Å; I471-F486 HydrophobicContact CG1-CZ 4.27Å; I471-I663 HydrophobicContact CB-CG2 4.47Å; I471-I663 HydrophobicContact CG2-CB 4.34Å; I471-I663 HydrophobicContact CG2-CG1 4.23Å; I471-I663 HydrophobicContact CG2-CG2 4Å; I471-R666 HydrophobicContact CD1-CB 4.47Å; I471-R666 HydrophobicContact CD1-CG 4.23Å; I471-R666 HydrophobicContact CG1-CG 4.12Å; I471-R666 HydrophobicContact CG2-CB 4.05Å; I471-R666 HydrophobicContact CG2-CG 3.86Å; I471-Y667 HydrophobicContact CD1-CD2 4.25Å; I471-Y667 HydrophobicContact CD1-CG 4.5Å
472	L	95	Very high	91.2	Very high	6 Å²	6	50.9 Å²	50.9	3%	0.031	25%	0.245	C	C	.	.	H	α-helix	trans	-64.1	-42.2	176.2	-75.7	159	0	0	0	111.9	L438 L468 T469 E474 R475 L476 W577 L578 I663	L438-L472 HydrophobicContact CD2-CD1 3.53Å; L468-L472 WeakPolarHBondContact O-CD1 3.27Å; L468-L472 WeakPolarHBondContact O-CG 2.99Å; L468-L472 PolarHBondContact O-N 3.41Å; T469-L472 WeakPolarHBondContact O-CB 3.41Å; T469-L472 PolarHBondContact O-N 2.85Å; L472-E474 VanDerWaalsContact C-N 3.33Å; L472-E474 PolarHBondContact O-N 2.88Å; L472-R475 WeakPolarHBondContact O-CB 3.4Å; L472-R475 PolarHBondContact O-N 2.87Å; L472-R475 VanDerWaalsContact O-N 3.14Å; L472-L476 WeakPolarHBondContact O-CG 3.43Å; L472-L476 PolarHBondContact O-N 3.22Å; L472-W577 HydrophobicContact CB-CE3 4.07Å; L472-W577 HydrophobicContact CB-CZ3 4.43Å; L472-W577 HydrophobicContact CD1-CB 4.15Å; L472-W577 HydrophobicContact CD1-CE3 4.38Å; L472-W577 VanDerWaalsContact CD2-O 3.31Å; L472-W577 WeakPolarHBondContact CD2-O 2.89Å; L472-L578 HydrophobicContact CD1-CB 4.16Å; L472-I663 HydrophobicContact CD2-CD1 3.38Å; L472-I663 HydrophobicContact CD2-CG1 4.28Å; L472-I663 HydrophobicContact CG-CD1 3.95Å
473	L	94.9	Very high	91	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-64.1	-36.2	174.8	-69	170.7	0	0	0	112.5	L453 T469 L470 R475 L476 R477 I478 L479 F493 F494 W577	L453-L473 HydrophobicContact CD1-CD1 4.49Å; L453-L473 HydrophobicContact CD1-CD2 3.76Å; T469-L473 HydrophobicContact CG2-CD1 4.09Å; T469-L473 HydrophobicContact CG2-CG 4.4Å; T469-L473 WeakPolarHBondContact O-CG 3.3Å; T469-L473 PolarHBondContact O-N 3.03Å; L470-L473 PolarHBondContact O-N 2.85Å; L473-R475 VanDerWaalsContact C-N 3.35Å; L473-L476 PolarHBondContact O-N 3.09Å; L473-R477 PolarHBondContact O-N 2.9Å; L473-I478 HydrophobicContact CB-CB 4.47Å; L473-I478 HydrophobicContact CD2-CB 4.3Å; L473-I478 HydrophobicContact CD2-CD1 3.72Å; L473-I478 HydrophobicContact CD2-CG2 4.23Å; L473-I478 PolarHBondContact O-N 2.94Å; L473-L479 HydrophobicContact CB-CD2 3.53Å; L473-L479 HydrophobicContact CB-CG 3.67Å; L473-L479 HydrophobicContact CD1-CD2 3.73Å; L473-L479 HydrophobicContact CG-CD2 4.27Å; L473-L479 PolarHBondContact O-N 2.71Å; L473-F493 HydrophobicContact CD1-CE1 4.16Å; L473-F494 HydrophobicContact CD1-CE2 3.99Å; L473-F494 HydrophobicContact CD1-CZ 3.78Å; L473-W577 HydrophobicContact CD2-CH2 3.63Å; L473-W577 HydrophobicContact CD2-CZ3 3.62Å; L473-W577 HydrophobicContact CG-CH2 4.46Å; L473-W577 HydrophobicContact CG-CZ3 4.01Å
474	E	93.5	Very high	91	Very high	48 Å²	48	58 Å²	58	22%	0.224	26%	0.258	C	S	.	.	H	α-helix	trans	-61.4	-44.2	170.7	-179.6	177.1	-118.9	0	0	111.1	L470 I471 L472 L476 R477 L479 L481 R666	L470-E474 PolarHBondContact O-N 3.04Å; I471-E474 WeakPolarHBondContact O-CB 3.49Å; I471-E474 PolarHBondContact O-N 3.4Å; L472-E474 VanDerWaalsContact C-N 3.33Å; L472-E474 PolarHBondContact O-N 2.88Å; E474-L476 VanDerWaalsContact C-N 3.33Å; E474-L476 PolarHBondContact O-N 2.81Å; E474-R477 WeakPolarHBondContact O-CA 3.47Å; E474-R477 PolarHBondContact O-N 2.81Å; E474-L479 WeakPolarHBondContact CA-O 3.23Å; E474-L479 HydrophobicContact CB-CD1 4.05Å; E474-L481 HydrophobicContact CB-CD1 4.3Å; E474-L481 HydrophobicContact CB-CG 4.22Å; E474-L481 WeakPolarHBondContact OE1-CB 3.35Å; E474-L481 PolarHBondContact OE1-N 2.78Å; E474-L481 VanDerWaalsContact OE1-N 3.14Å; E474-L481 WeakPolarHBondContact OE2-CD1 3.31Å; E474-R666 VanDerWaalsContact CD-NH2 3.31Å; E474-R666 IonicContact OE1-CZ 3.2Å; E474-R666 IonicContact OE1-NH2 2.89Å; E474-R666 PolarHBondContact OE1-NH2 3.22Å; E474-R666 IonicContact OE2-CZ 2.69Å; E474-R666 VanDerWaalsContact OE2-CZ 3.31Å; E474-R666 IonicContact OE2-NE 3.81Å; E474-R666 PolarHBondContact OE2-NE 3.36Å; E474-R666 IonicContact OE2-NH2 2.77Å; E474-R666 PolarHBondContact OE2-NH2 2.98Å
475	R	93	Very high	90.9	Very high	125 Å²	125	61.5 Å²	61.5	47%	0.472	26%	0.264	S	S	.	.	H	α-helix	trans	-65.3	-36.3	179	-167	-179.7	177.1	102.4	-6.9	112.5	I471 L472 L473 R477 D662	I471-R475 PolarHBondContact O-N 3.39Å; L472-R475 WeakPolarHBondContact O-CB 3.4Å; L472-R475 PolarHBondContact O-N 2.87Å; L472-R475 VanDerWaalsContact O-N 3.14Å; L473-R475 VanDerWaalsContact C-N 3.35Å; R475-R477 PolarHBondContact O-N 3.32Å; R475-D662 IonicContact CZ-OD2 3.91Å; R475-D662 VanDerWaalsContact CZ-OD2 3.32Å; R475-D662 VanDerWaalsContact NH1-CB 3.26Å; R475-D662 IonicContact NH1-OD2 3.31Å; R475-D662 PolarHBondContact NH1-OD2 3.48Å; R475-D662 IonicContact NH2-OD2 3.69Å; R475-D662 PolarHBondContact NH2-OD2 3.45Å
476	L	93.6	Very high	90.8	Very high	71 Å²	71	62.4 Å²	62.4	37%	0.372	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.2	0.4	171.4	-66.8	174.9	0	0	0	113.3	P450 L472 L473 E474 I478 P562 W577	P450-L476 HydrophobicContact CB-CD1 4.5Å; L472-L476 WeakPolarHBondContact O-CG 3.43Å; L472-L476 PolarHBondContact O-N 3.22Å; L473-L476 PolarHBondContact O-N 3.09Å; E474-L476 VanDerWaalsContact C-N 3.33Å; E474-L476 PolarHBondContact O-N 2.81Å; L476-I478 HydrophobicContact CB-CD1 3.58Å; L476-I478 HydrophobicContact CB-CG1 3.95Å; L476-I478 HydrophobicContact CD1-CD1 3.87Å; L476-I478 HydrophobicContact CG-CD1 4.39Å; L476-I478 PolarHBondContact O-N 3.32Å; L476-P562 HydrophobicContact CD1-CB 4.39Å; L476-W577 HydrophobicContact CD1-CH2 4.27Å; L476-W577 HydrophobicContact CD1-CZ3 4.13Å
477	R	93.1	Very high	90.5	Very high	233 Å²	233	64.2 Å²	64.2	88%	0.879	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.7	25.9	-177.8	-52.5	179.2	-178.3	160.2	-0.1	114	L473 E474 R475	L473-R477 PolarHBondContact O-N 2.9Å; E474-R477 WeakPolarHBondContact O-CA 3.47Å; E474-R477 PolarHBondContact O-N 2.81Å; R475-R477 PolarHBondContact O-N 3.32Å
478	I	93.7	Very high	90.3	Very high	44 Å²	44	68 Å²	68	23%	0.226	30%	0.298	C	S	.	.	S	Bend	trans	-85.7	-33.7	179.6	-65.3	163.5	0	0	0	110.8	P450 L473 L476 F493	P450-I478 HydrophobicContact CB-CD1 3.42Å; P450-I478 VanDerWaalsContact CB-CD1 3.42Å; L473-I478 HydrophobicContact CB-CB 4.47Å; L473-I478 HydrophobicContact CD2-CB 4.3Å; L473-I478 HydrophobicContact CD2-CD1 3.72Å; L473-I478 HydrophobicContact CD2-CG2 4.23Å; L473-I478 PolarHBondContact O-N 2.94Å; L476-I478 HydrophobicContact CB-CD1 3.58Å; L476-I478 HydrophobicContact CB-CG1 3.95Å; L476-I478 HydrophobicContact CD1-CD1 3.87Å; L476-I478 HydrophobicContact CG-CD1 4.39Å; L476-I478 PolarHBondContact O-N 3.32Å; I478-F493 HydrophobicContact CG2-CE2 3.97Å; I478-F493 HydrophobicContact CG2-CZ 3.51Å
479	L	93.1	Very high	90	Very high	15 Å²	15	68.3 Å²	68.3	8%	0.079	30%	0.3	C	S	.	.			trans	-138.3	173.9	176.6	69	77.5	0	0	0	111.9	L470 L473 E474 L481 V489 F493	L470-L479 HydrophobicContact CD2-CD2 3.82Å; L473-L479 HydrophobicContact CB-CD2 3.53Å; L473-L479 HydrophobicContact CB-CG 3.67Å; L473-L479 HydrophobicContact CD1-CD2 3.73Å; L473-L479 HydrophobicContact CG-CD2 4.27Å; L473-L479 PolarHBondContact O-N 2.71Å; E474-L479 WeakPolarHBondContact CA-O 3.23Å; E474-L479 HydrophobicContact CB-CD1 4.05Å; L479-L481 HydrophobicContact CD1-CD2 4.03Å; L479-L481 HydrophobicContact CD1-CG 4.01Å; L479-V489 HydrophobicContact CD1-CG1 3.97Å; L479-V489 HydrophobicContact CD2-CG1 4.3Å; L479-F493 HydrophobicContact CB-CD2 3.77Å; L479-F493 HydrophobicContact CB-CE2 3.8Å; L479-F493 HydrophobicContact CB-CG 4.5Å; L479-F493 HydrophobicContact CD2-CD1 4.15Å; L479-F493 HydrophobicContact CD2-CD2 4.1Å; L479-F493 HydrophobicContact CD2-CE1 4.38Å; L479-F493 HydrophobicContact CD2-CE2 4.34Å; L479-F493 HydrophobicContact CD2-CG 4.01Å; L479-F493 HydrophobicContact CD2-CZ 4.49Å
480	R	89	Confident	89.7	Confident	197 Å²	197	69.6 Å²	69.6	74%	0.743	31%	0.306	S	S	*	.			trans	-125.5	131.6	171.3	-66.5	-174.2	178.7	-174.7	0.8	110.2	N482	R480-N482 VanDerWaalsContact C-N 3.25Å; R480-N482 PolarHBondContact O-N 3.11Å
481	L	85.7	Confident	89.4	Confident	0 Å²	0	74.7 Å²	74.7	0%	0	33%	0.332	C	S	.	.			trans	-79	1.5	-176.6	-75.9	174.9	0	0	0	115	L470 I471 E474 L479 K483 C484 R485 F486 V489	L470-L481 HydrophobicContact CB-CD2 3.81Å; I471-L481 HydrophobicContact CG1-CD1 3.8Å; E474-L481 HydrophobicContact CB-CD1 4.3Å; E474-L481 HydrophobicContact CB-CG 4.22Å; E474-L481 WeakPolarHBondContact OE1-CB 3.35Å; E474-L481 PolarHBondContact OE1-N 2.78Å; E474-L481 VanDerWaalsContact OE1-N 3.14Å; E474-L481 WeakPolarHBondContact OE2-CD1 3.31Å; L479-L481 HydrophobicContact CD1-CD2 4.03Å; L479-L481 HydrophobicContact CD1-CG 4.01Å; L481-K483 PolarHBondContact O-N 2.95Å; L481-C484 WeakPolarHBondContact O-CA 3.17Å; L481-C484 PolarHBondContact O-N 2.94Å; L481-R485 PolarHBondContact O-N 3.28Å; L481-F486 HydrophobicContact CD1-CD1 4.25Å; L481-F486 HydrophobicContact CD1-CE1 3.49Å; L481-F486 VanDerWaalsContact CD1-CE1 3.49Å; L481-F486 HydrophobicContact CD1-CZ 4.25Å; L481-F486 HydrophobicContact CD2-CD1 3.54Å; L481-F486 HydrophobicContact CD2-CE1 3.68Å; L481-F486 HydrophobicContact CG-CE1 4.21Å; L481-V489 HydrophobicContact CD2-CB 4.43Å; L481-V489 HydrophobicContact CD2-CG1 4.11Å
482	N	79.8	Confident	89.1	Confident	93 Å²	93	78.8 Å²	78.8	50%	0.497	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	28.5	77.1	173.7	-70.8	-16.9	0	0	0	115.2	R480 R485	R480-N482 VanDerWaalsContact C-N 3.25Å; R480-N482 PolarHBondContact O-N 3.11Å; N482-R485 PolarHBondContact O-NE 2.9Å; N482-R485 VanDerWaalsContact O-NE 3.07Å
483	K	81	Confident	89	Confident	193 Å²	193	79.3 Å²	79.3	84%	0.839	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.2	35.1	-176.7	-53.4	-178.8	179.5	180	0	114.4	L481 R485	L481-K483 PolarHBondContact O-N 2.95Å; K483-R485 VanDerWaalsContact C-N 3.27Å; K483-R485 PolarHBondContact O-N 2.86Å
484	C	85.5	Confident	88.8	Confident	32 Å²	32	79.5 Å²	79.5	22%	0.216	36%	0.357	C	S	.	.	T	Hydrogen-bonded Turn	trans	61.6	28.3	176.6	-56.4	0	0	0	0	114.8	L481 F486 C670	L481-C484 WeakPolarHBondContact O-CA 3.17Å; L481-C484 PolarHBondContact O-N 2.94Å; C484-F486 HydrophobicContact CB-CE2 4.2Å; C484-F486 VanDerWaalsContact O-CD2 3.31Å; C484-F486 WeakPolarHBondContact O-CD2 3.44Å; C484-F486 PolarHBondContact O-N 3.47Å; C484-C670 HydrophobicContact CB-CB 3.38Å; C484-C670 WeakPolarHBondContact CB-SG 3.11Å; C484-C670 WeakPolarHBondContact SG-CA 3.3Å; C484-C670 WeakPolarHBondContact SG-CB 3.44Å; C484-C670 CovalentContact SG-SG 2.03Å; C484-C670 PolarHBondContact SG-SG 3Å
485	R	86.8	Confident	88.4	Confident	143 Å²	143	82.9 Å²	82.9	54%	0.54	37%	0.371	S	S	.	.			trans	-81.9	66.5	179.3	-68.1	-174.4	-71.9	172.6	1.4	110.7	L481 N482 K483 D487 Q488 V489	L481-R485 PolarHBondContact O-N 3.28Å; N482-R485 PolarHBondContact O-NE 2.9Å; N482-R485 VanDerWaalsContact O-NE 3.07Å; K483-R485 VanDerWaalsContact C-N 3.27Å; K483-R485 PolarHBondContact O-N 2.86Å; R485-D487 VanDerWaalsContact C-N 3.34Å; R485-D487 PolarHBondContact O-N 3.29Å; R485-Q488 HydrophobicContact CB-CB 4.17Å; R485-Q488 PolarHBondContact O-N 3.1Å; R485-V489 VanDerWaalsContact O-CG2 3.3Å; R485-V489 WeakPolarHBondContact O-CG2 3.23Å; R485-V489 PolarHBondContact O-N 3.25Å
486	F	88.2	Confident	87.5	Confident	29 Å²	29	81.9 Å²	81.9	13%	0.127	38%	0.38	C	S	.	.	H	α-helix	trans	-56.5	-41.8	-171.1	-64.9	-70.5	0	0	0	113.9	T467 L470 I471 L481 C484 H490 C670	T467-F486 HydrophobicContact CG2-CD1 3.72Å; T467-F486 HydrophobicContact CG2-CD2 3.9Å; T467-F486 HydrophobicContact CG2-CE1 3.52Å; T467-F486 HydrophobicContact CG2-CE2 3.72Å; T467-F486 HydrophobicContact CG2-CG 3.9Å; T467-F486 HydrophobicContact CG2-CZ 3.53Å; L470-F486 HydrophobicContact CB-CD1 4.37Å; L470-F486 HydrophobicContact CD1-CB 4.21Å; L470-F486 HydrophobicContact CD1-CD1 4.05Å; I471-F486 HydrophobicContact CD1-CE1 4.3Å; I471-F486 HydrophobicContact CD1-CZ 4.23Å; I471-F486 HydrophobicContact CG1-CE1 3.9Å; I471-F486 HydrophobicContact CG1-CZ 4.27Å; L481-F486 HydrophobicContact CD1-CD1 4.25Å; L481-F486 HydrophobicContact CD1-CE1 3.49Å; L481-F486 VanDerWaalsContact CD1-CE1 3.49Å; L481-F486 HydrophobicContact CD1-CZ 4.25Å; L481-F486 HydrophobicContact CD2-CD1 3.54Å; L481-F486 HydrophobicContact CD2-CE1 3.68Å; L481-F486 HydrophobicContact CG-CE1 4.21Å; C484-F486 HydrophobicContact CB-CE2 4.2Å; C484-F486 VanDerWaalsContact O-CD2 3.31Å; C484-F486 WeakPolarHBondContact O-CD2 3.44Å; C484-F486 PolarHBondContact O-N 3.47Å; F486-H490 WeakPolarHBondContact O-CB 3.18Å; F486-H490 PolarHBondContact O-N 3.33Å; F486-C670 HydrophobicContact CE2-CB 3.57Å; F486-C670 HydrophobicContact CZ-CB 3.75Å
487	D	85.9	Confident	86.4	Confident	95 Å²	95	79.7 Å²	79.7	51%	0.508	37%	0.373	S	S	.	.	H	α-helix	trans	-65.4	-44.6	-180	-68.4	-47.6	0	0	0	111.9	R466 R485 H490 L491	R466-D487 IonicContact CZ-OD1 2.69Å; R466-D487 IonicContact NH1-OD1 2.84Å; R466-D487 PolarHBondContact NH1-OD1 3.47Å; R466-D487 IonicContact NH2-OD1 3.16Å; R466-D487 PolarHBondContact NH2-OD1 2.94Å; R485-D487 VanDerWaalsContact C-N 3.34Å; R485-D487 PolarHBondContact O-N 3.29Å; D487-H490 PolarHBondContact O-N 3.19Å; D487-L491 WeakPolarHBondContact O-CG 3.18Å; D487-L491 PolarHBondContact O-N 3.41Å; D487-L491 VanDerWaalsContact O-N 3.12Å
488	Q	86.7	Confident	84.9	Confident	93 Å²	93	71.6 Å²	71.6	44%	0.435	35%	0.351	S	S	.	.	H	α-helix	trans	-64.6	-50.1	177	-172.3	63.3	43.9	0	0	110.9	R485 H490 L491 D492	R485-Q488 HydrophobicContact CB-CB 4.17Å; R485-Q488 PolarHBondContact O-N 3.1Å; Q488-H490 PolarHBondContact O-N 2.85Å; Q488-L491 PolarHBondContact O-N 2.73Å; Q488-D492 WeakPolarHBondContact CG-OD2 3.33Å; Q488-D492 PolarHBondContact NE2-OD1 3.32Å; Q488-D492 PolarHBondContact NE2-OD2 3.47Å; Q488-D492 WeakPolarHBondContact O-CB 3.43Å; Q488-D492 PolarHBondContact O-N 3.12Å
489	V	88.7	Confident	83.1	Confident	11 Å²	11	78.2 Å²	78.2	7%	0.067	38%	0.378	C	S	.	.	H	α-helix	trans	-61.1	-37.2	-179.3	173.8	0	0	0	0	111.1	L479 L481 R485 F493	L479-V489 HydrophobicContact CD1-CG1 3.97Å; L479-V489 HydrophobicContact CD2-CG1 4.3Å; L481-V489 HydrophobicContact CD2-CB 4.43Å; L481-V489 HydrophobicContact CD2-CG1 4.11Å; R485-V489 VanDerWaalsContact O-CG2 3.3Å; R485-V489 WeakPolarHBondContact O-CG2 3.23Å; R485-V489 PolarHBondContact O-N 3.25Å; V489-F493 WeakPolarHBondContact O-CB 3.2Å; V489-F493 PolarHBondContact O-N 3.16Å
490	H	87.8	Confident	81.1	Confident	27 Å²	27	80 Å²	80	13%	0.125	39%	0.391	C	S	.	.	H	α-helix	trans	-59.8	-47.9	173	166.3	-94	0	0	0	112	F460 L470 F486 D487 Q488 F493 F494	F460-H490 AromaticContact CE2-CD2 3.64Å; F460-H490 AromaticContact CE2-NE2 3.51Å; L470-H490 HydrophobicContact CD1-CB 4.15Å; F486-H490 WeakPolarHBondContact O-CB 3.18Å; F486-H490 PolarHBondContact O-N 3.33Å; D487-H490 PolarHBondContact O-N 3.19Å; Q488-H490 PolarHBondContact O-N 2.85Å; H490-F493 PolarHBondContact O-N 3.31Å; H490-F494 WeakPolarHBondContact O-CB 3.01Å; H490-F494 PolarHBondContact O-N 2.93Å
491	L	87.2	Confident	79.1	Confident	107 Å²	107	72.9 Å²	72.9	56%	0.56	37%	0.374	S	S	*	.	H	α-helix	trans	-69.9	-34.6	-178.9	-68.1	171.9	0	0	0	112.8	D487 Q488	D487-L491 WeakPolarHBondContact O-CG 3.18Å; D487-L491 PolarHBondContact O-N 3.41Å; D487-L491 VanDerWaalsContact O-N 3.12Å; Q488-L491 PolarHBondContact O-N 2.73Å
492	D	89.2	Confident	77.3	Confident	93 Å²	93	78 Å²	78	50%	0.497	42%	0.416	S	S	.	.	H	α-helix	trans	-72.5	-35	177.5	-65.4	-15.8	0	0	0	111.6	Q488	Q488-D492 WeakPolarHBondContact CG-OD2 3.33Å; Q488-D492 PolarHBondContact NE2-OD1 3.32Å; Q488-D492 PolarHBondContact NE2-OD2 3.47Å; Q488-D492 WeakPolarHBondContact O-CB 3.43Å; Q488-D492 PolarHBondContact O-N 3.12Å
493	F	92.6	Very high	75.5	Confident	17 Å²	17	78 Å²	78	8%	0.075	42%	0.424	C	S	.	.	H	α-helix	trans	-92.4	-41	-173.1	-169	-90.6	0	0	0	113.2	L453 Y454 G455 L473 I478 L479 V489 H490	L453-F493 HydrophobicContact CB-CE1 3.67Å; L453-F493 HydrophobicContact CB-CZ 4.07Å; Y454-F493 AromaticContact CD2-CD2 3.81Å; Y454-F493 HydrophobicContact CD2-CD2 3.81Å; Y454-F493 HydrophobicContact CD2-CE2 4.07Å; Y454-F493 HydrophobicContact CD2-CG 4.4Å; G455-F493 PolarHBondContact N-O 2.97Å; L473-F493 HydrophobicContact CD1-CE1 4.16Å; I478-F493 HydrophobicContact CG2-CE2 3.97Å; I478-F493 HydrophobicContact CG2-CZ 3.51Å; L479-F493 HydrophobicContact CB-CD2 3.77Å; L479-F493 HydrophobicContact CB-CE2 3.8Å; L479-F493 HydrophobicContact CB-CG 4.5Å; L479-F493 HydrophobicContact CD2-CD1 4.15Å; L479-F493 HydrophobicContact CD2-CD2 4.1Å; L479-F493 HydrophobicContact CD2-CE1 4.38Å; L479-F493 HydrophobicContact CD2-CE2 4.34Å; L479-F493 HydrophobicContact CD2-CG 4.01Å; L479-F493 HydrophobicContact CD2-CZ 4.49Å; V489-F493 WeakPolarHBondContact O-CB 3.2Å; V489-F493 PolarHBondContact O-N 3.16Å; H490-F493 PolarHBondContact O-N 3.31Å
494	F	91.7	Very high	73.9	Confident	3 Å²	3	72.8 Å²	72.8	1%	0.013	40%	0.402	C	S	.	.	S	Bend	trans	-109.6	142.3	-179.6	-68.7	-69.2	0	0	0	111.4	L453 A458 F460 L470 L473 H490 F539	L453-F494 HydrophobicContact CB-CE1 3.9Å; L453-F494 HydrophobicContact CB-CZ 4.38Å; L453-F494 HydrophobicContact CD1-CZ 4.46Å; L453-F494 HydrophobicContact CD2-CE1 4.29Å; L453-F494 HydrophobicContact CG-CE1 4.48Å; A458-F494 HydrophobicContact CB-CB 4.3Å; A458-F494 HydrophobicContact CB-CD1 3.37Å; A458-F494 HydrophobicContact CB-CD2 4.32Å; A458-F494 HydrophobicContact CB-CE1 3.58Å; A458-F494 HydrophobicContact CB-CG 3.76Å; A458-F494 HydrophobicContact CB-CZ 4.16Å; F460-F494 HydrophobicContact CE2-CD2 4.49Å; F460-F494 AromaticContact CZ-CD2 3.98Å; F460-F494 HydrophobicContact CZ-CD2 3.98Å; F460-F494 AromaticContact CZ-CE2 3.79Å; F460-F494 HydrophobicContact CZ-CE2 3.79Å; F460-F494 HydrophobicContact CZ-CZ 4.31Å; L470-F494 HydrophobicContact CD2-CD2 4.42Å; L470-F494 HydrophobicContact CD2-CE2 4Å; L473-F494 HydrophobicContact CD1-CE2 3.99Å; L473-F494 HydrophobicContact CD1-CZ 3.78Å; H490-F494 WeakPolarHBondContact O-CB 3.01Å; H490-F494 PolarHBondContact O-N 2.93Å; F494-F539 HydrophobicContact CZ-CE2 4.26Å
495	K	85.2	Confident	72.3	Confident	120 Å²	120	76.4 Å²	76.4	52%	0.522	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	146.7	165.8	-74	-175.6	-173	179.2	0	109.6	G455 A456 K457 A497	G455-K495 VanDerWaalsContact O-CD 3.22Å; G455-K495 WeakPolarHBondContact O-CD 3.4Å; G455-K495 VanDerWaalsContact O-CG 3.28Å; G455-K495 WeakPolarHBondContact O-CG 3.13Å; A456-K495 PolarHBondContact O-N 3.22Å; K457-K495 WeakPolarHBondContact CA-O 3.39Å; K457-K495 HydrophobicContact CG-CB 3.94Å; K495-A497 PolarHBondContact O-N 2.86Å
496	P	72.6	Confident	70.8	Confident	103 Å²	103	75.2 Å²	75.2	67%	0.669	41%	0.412	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.8	124.5	175.3	22.1	-30.6	0	0	0	110.3
497	A	70.1	Confident	69.8	Low	25 Å²	25	75.4 Å²	75.4	21%	0.207	42%	0.422	C	S	.	.	P	Polyproline II helix	trans	-86.4	149.7	168.3	0	0	0	0	0	110.5	K457 A458 C459 K495 A535	K457-A497 HydrophobicContact CB-CB 4.26Å; A458-A497 WeakPolarHBondContact O-CB 3.14Å; C459-A497 HydrophobicContact CB-CB 4.2Å; K495-A497 PolarHBondContact O-N 2.86Å; A497-A535 HydrophobicContact CB-CB 3.92Å
498	C	61.8	Low	69.3	Low	63 Å²	63	71.1 Å²	71.1	43%	0.426	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-59.3	139.2	-177.6	-148.1	0	0	0	0	111.8	C509	C498-C509 PolarHBondContact O-SG 3.28Å
499	K	57	Low	68.9	Low	184 Å²	184	67.1 Å²	67.1	80%	0.8	38%	0.381	S	S	*	.	P	Polyproline II helix	trans	-70.7	137.8	162.8	-75.6	-179.9	179	175.9	0	107.3	A501	K499-A501 PolarHBondContact O-N 3.3Å
500	P	50.5	Low	68.1	Low	53 Å²	53	66.9 Å²	66.9	34%	0.344	38%	0.381	S	S	.	.			trans	-54.1	115.9	177.5	-0	1.7	0	0	0	108.8	D513	P500-D513 HydrophobicContact CG-CB 3.76Å
501	A	48.1	Very low	67.4	Low	46 Å²	46	65.8 Å²	65.8	38%	0.38	38%	0.376	S	S	.	.			trans	-62.1	140.7	164.2	0	0	0	0	0	106.5	K499 S503 E504	K499-A501 PolarHBondContact O-N 3.3Å; A501-S503 PolarHBondContact O-N 2.91Å; A501-E504 HydrophobicContact CB-CB 4.5Å; A501-E504 HydrophobicContact CB-CG 4.31Å; A501-E504 PolarHBondContact O-N 3.2Å
502	A	47.3	Very low	67	Low	107 Å²	107	61.8 Å²	61.8	88%	0.884	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.6	-15.1	-177.7	0	0	0	0	0	114.1
503	S	42	Very low	66.1	Low	95 Å²	95	60.1 Å²	60.1	66%	0.664	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.7	-9.2	178.1	55.2	0	0	0	0	115.8	A501 H505	A501-S503 PolarHBondContact O-N 2.91Å; S503-H505 PolarHBondContact O-N 3.12Å
504	E	47.3	Very low	64.5	Low	83 Å²	83	65.6 Å²	65.6	39%	0.388	38%	0.378	S	S	.	.			trans	-90.6	88.2	-180	-80.5	-172.1	166.9	0	0	111.2	A501 Y506	A501-E504 HydrophobicContact CB-CB 4.5Å; A501-E504 HydrophobicContact CB-CG 4.31Å; A501-E504 PolarHBondContact O-N 3.2Å; E504-Y506 PolarHBondContact O-N 3.25Å
505	H	51.8	Low	62.8	Low	108 Å²	108	68 Å²	68	50%	0.5	40%	0.397	S	S	.	.			trans	-79	3.4	177.3	-62.4	-51.8	0	0	0	114.6	S503	S503-H505 PolarHBondContact O-N 3.12Å
506	Y	54.8	Low	61.3	Low	118 Å²	118	63.1 Å²	63.1	46%	0.463	38%	0.38	S	S	.	.	S	Bend	trans	-140.6	130.8	-167.5	-49.5	-78.7	0	0	0	111.8	E504	E504-Y506 PolarHBondContact O-N 3.25Å
507	G	67.4	Low	60.4	Low	33 Å²	33	59 Å²	59	34%	0.34	35%	0.352	S	S	.	.	S	Bend	trans	128.5	174.5	174.8	0	0	0	0	0	114.3	C509 A510	G507-C509 VanDerWaalsContact C-N 3.34Å; G507-C509 PolarHBondContact O-N 3.38Å; G507-A510 WeakPolarHBondContact O-CB 3.35Å; G507-A510 PolarHBondContact O-N 3.32Å
508	L	75.7	Confident	59.4	Low	4 Å²	4	60.4 Å²	60.4	2%	0.021	37%	0.369	C	S	.	.	H	α-helix	trans	-62.6	-36.8	-178.2	-74.8	178.8	0	0	0	112.8	V441 T443 C459 A510 L511 A535 D536 A538 F557	V441-L508 HydrophobicContact CB-CD2 4.29Å; V441-L508 HydrophobicContact CG1-CD2 3.96Å; V441-L508 WeakPolarHBondContact O-CD2 3.11Å; T443-L508 HydrophobicContact CG2-CD1 4.16Å; T443-L508 HydrophobicContact CG2-CG 4.03Å; C459-L508 PolarHBondContact SG-O 3.38Å; L508-A510 VanDerWaalsContact C-N 3.31Å; L508-A510 PolarHBondContact O-N 3.06Å; L508-L511 HydrophobicContact CD2-CD1 3.87Å; L508-L511 WeakPolarHBondContact O-CB 3.04Å; L508-L511 PolarHBondContact O-N 3.25Å; L508-L511 VanDerWaalsContact O-N 3.11Å; L508-A535 HydrophobicContact CB-CB 3.89Å; L508-A535 WeakPolarHBondContact CD1-O 3.31Å; L508-D536 VanDerWaalsContact CD1-C 3.49Å; L508-D536 VanDerWaalsContact CD1-O 3.29Å; L508-D536 WeakPolarHBondContact CD1-O 3.11Å; L508-A538 HydrophobicContact CB-CB 4.12Å; L508-A538 HydrophobicContact CD2-CB 4Å; L508-F557 HydrophobicContact CD2-CD1 3.81Å; L508-F557 HydrophobicContact CD2-CE1 3.74Å; L508-F557 HydrophobicContact CG-CE1 4.36Å
509	C	77.8	Confident	58.8	Low	9 Å²	9	65.2 Å²	65.2	6%	0.061	38%	0.378	C	S	.	.	H	α-helix	trans	-62.7	-36	176.6	-66.4	0	0	0	0	112.9	C498 G507 L511 C512 D513 A535	C498-C509 PolarHBondContact O-SG 3.28Å; G507-C509 VanDerWaalsContact C-N 3.34Å; G507-C509 PolarHBondContact O-N 3.38Å; C509-L511 PolarHBondContact O-N 3.45Å; C509-C512 WeakPolarHBondContact O-CB 3.29Å; C509-C512 PolarHBondContact O-N 3.18Å; C509-D513 PolarHBondContact O-N 3.4Å; C509-A535 VanDerWaalsContact SG-CB 3.56Å; C509-A535 PolarHBondContact SG-N 2.93Å; C509-A535 VanDerWaalsContact SG-N 3.4Å
510	A	72.7	Confident	58.5	Low	7 Å²	7	58.5 Å²	58.5	6%	0.058	35%	0.351	C	S	.	.	H	α-helix	trans	-64.1	-29.3	176.3	0	0	0	0	0	111.7	G507 L508 C512 D513 A516	G507-A510 WeakPolarHBondContact O-CB 3.35Å; G507-A510 PolarHBondContact O-N 3.32Å; L508-A510 VanDerWaalsContact C-N 3.31Å; L508-A510 PolarHBondContact O-N 3.06Å; A510-C512 PolarHBondContact O-N 2.81Å; A510-D513 PolarHBondContact O-N 2.75Å; A510-A516 VanDerWaalsContact O-CB 3.31Å; A510-A516 WeakPolarHBondContact O-CB 2.92Å
511	L	73.5	Confident	58.1	Low	4 Å²	4	62.1 Å²	62.1	2%	0.021	37%	0.365	C	S	.	.	H	α-helix	trans	-68.2	-25.1	174.2	-52.1	-177.5	0	0	0	112.8	V441 L508 C509 L517 L520 L540 L550 F557	V441-L511 HydrophobicContact CG1-CD1 4.08Å; L508-L511 HydrophobicContact CD2-CD1 3.87Å; L508-L511 WeakPolarHBondContact O-CB 3.04Å; L508-L511 PolarHBondContact O-N 3.25Å; L508-L511 VanDerWaalsContact O-N 3.11Å; C509-L511 PolarHBondContact O-N 3.45Å; L511-L517 HydrophobicContact CD2-CD1 4.4Å; L511-L520 HydrophobicContact CD2-CD1 3.64Å; L511-L540 HydrophobicContact CB-CD1 3.74Å; L511-L540 HydrophobicContact CB-CD2 4.23Å; L511-L540 HydrophobicContact CD1-CD1 4.12Å; L511-L540 VanDerWaalsContact O-CD2 3.3Å; L511-L540 WeakPolarHBondContact O-CD2 3.47Å; L511-L550 HydrophobicContact CD1-CD1 4.09Å; L511-L550 HydrophobicContact CD2-CD1 3.7Å; L511-F557 HydrophobicContact CD1-CD1 4.47Å; L511-F557 HydrophobicContact CD1-CE1 4.14Å; L511-F557 HydrophobicContact CD1-CE2 4.23Å; L511-F557 HydrophobicContact CD1-CZ 4.02Å; L511-F557 HydrophobicContact CD2-CE2 4.35Å; L511-F557 HydrophobicContact CD2-CZ 4.38Å; L511-F557 HydrophobicContact CG-CZ 4.46Å
512	C	77.1	Confident	57.4	Low	22 Å²	22	69.8 Å²	69.8	15%	0.149	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.9	-9.4	-179.8	-68.9	0	0	0	0	113	C459 F460 C509 A510	C459-C512 HydrophobicContact CB-CB 3.74Å; C459-C512 WeakPolarHBondContact CB-SG 3.41Å; C459-C512 WeakPolarHBondContact SG-CB 3.46Å; C459-C512 CovalentContact SG-SG 2.06Å; C459-C512 PolarHBondContact SG-SG 2.83Å; F460-C512 PolarHBondContact N-SG 3.35Å; F460-C512 VanDerWaalsContact N-SG 3.36Å; C509-C512 WeakPolarHBondContact O-CB 3.29Å; C509-C512 PolarHBondContact O-N 3.18Å; A510-C512 PolarHBondContact O-N 2.81Å
513	D	71.5	Confident	56.8	Low	59 Å²	59	72.5 Å²	72.5	32%	0.316	38%	0.376	S	S	.	.			trans	-86	112.3	168.7	-178.1	0.5	0	0	0	110	P500 C509 A510 A515 A516	P500-D513 HydrophobicContact CG-CB 3.76Å; C509-D513 PolarHBondContact O-N 3.4Å; A510-D513 PolarHBondContact O-N 2.75Å; D513-A515 PolarHBondContact O-N 3.43Å; D513-A515 PolarHBondContact OD1-N 2.97Å; D513-A516 HydrophobicContact CB-CB 3.9Å; D513-A516 WeakPolarHBondContact O-CB 3.2Å; D513-A516 PolarHBondContact O-N 2.86Å
514	N	59	Low	56.4	Low	132 Å²	132	76.6 Å²	76.6	71%	0.706	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.5	-25.2	-179.9	-73.8	-31.4	0	0	0	113.1
515	A	55.8	Low	56	Low	52 Å²	52	76.8 Å²	76.8	43%	0.43	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.2	177.5	0	0	0	0	0	113.8	D513 R519	D513-A515 PolarHBondContact O-N 3.43Å; D513-A515 PolarHBondContact OD1-N 2.97Å; A515-R519 PolarHBondContact O-NE 3.32Å
516	A	52.7	Low	55.1	Low	18 Å²	18	77.1 Å²	77.1	15%	0.149	42%	0.415	C	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-23.6	-172	0	0	0	0	0	113.6	A510 D513 G518 R519 L520	A510-A516 VanDerWaalsContact O-CB 3.31Å; A510-A516 WeakPolarHBondContact O-CB 2.92Å; D513-A516 HydrophobicContact CB-CB 3.9Å; D513-A516 WeakPolarHBondContact O-CB 3.2Å; D513-A516 PolarHBondContact O-N 2.86Å; A516-G518 PolarHBondContact O-N 3.3Å; A516-R519 PolarHBondContact O-N 2.89Å; A516-L520 PolarHBondContact O-N 3.15Å
517	L	54.8	Low	54.2	Low	18 Å²	18	74.4 Å²	74.4	9%	0.094	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-57.1	-38.8	179	-149.2	87.4	0	0	0	111.7	L511 R519 L520 L542 Q546	L511-L517 HydrophobicContact CD2-CD1 4.4Å; L517-R519 VanDerWaalsContact C-N 3.31Å; L517-R519 PolarHBondContact O-N 3.1Å; L517-L520 HydrophobicContact CD1-CD1 4.35Å; L517-L542 HydrophobicContact CD2-CD2 4.02Å; L517-Q546 HydrophobicContact CD2-CB 3.77Å; L517-Q546 HydrophobicContact CD2-CG 3.84Å
518	G	48.4	Very low	52.7	Low	53 Å²	53	81.5 Å²	81.5	55%	0.546	45%	0.453	S	S	.	.	G	3₁₀ helix	trans	-74.2	-13.7	175.1	0	0	0	0	0	115.3	A516	A516-G518 PolarHBondContact O-N 3.3Å
519	R	49.9	Very low	50.8	Low	165 Å²	165	92.1 Å²	92.1	62%	0.623	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-97.6	-6.2	-177.6	-74.7	-170.5	-102.4	-170.1	-3.5	114.4	A515 A516 L517 I521	A515-R519 PolarHBondContact O-NE 3.32Å; A516-R519 PolarHBondContact O-N 2.89Å; L517-R519 VanDerWaalsContact C-N 3.31Å; L517-R519 PolarHBondContact O-N 3.1Å; R519-I521 PolarHBondContact O-N 2.96Å
520	L	51.3	Low	48.8	Very low	43 Å²	43	97.4 Å²	97.4	23%	0.225	53%	0.525	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	1.1	178.2	-80.9	153.4	0	0	0	114.7	L511 A516 L517 A553	L511-L520 HydrophobicContact CD2-CD1 3.64Å; A516-L520 PolarHBondContact O-N 3.15Å; L517-L520 HydrophobicContact CD1-CD1 4.35Å; L520-A553 HydrophobicContact CB-CB 4.04Å
521	I	40.4	Very low	47.2	Very low	128 Å²	128	102.5 Å²	102.5	66%	0.656	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-80	-11.5	-174.6	-63	178.7	0	0	0	113.7	R519	R519-I521 PolarHBondContact O-N 2.96Å
522	W	33.2	Very low	45.8	Very low	207 Å²	207	110.2 Å²	110.2	78%	0.784	59%	0.594	S	S	*	*	S	Bend	trans	-124.5	117	-173.1	-75.1	76.4	0	0	0	114.3
523	K	34.9	Very low	44.7	Very low	164 Å²	164	115.4 Å²	115.4	71%	0.713	62%	0.616	S	S	*	*			trans	100.1	116.2	162.8	-61.6	-175.9	175.7	-178.3	0	116.6	A525	K523-A525 PolarHBondContact O-N 2.96Å
524	H	33.7	Very low	44.5	Very low	182 Å²	182	114.3 Å²	114.3	84%	0.843	62%	0.619	S	S	*	*			trans	-49	126.3	166.2	-76.4	-83.8	0	0	0	110.5	S526	H524-S526 PolarHBondContact O-N 2.71Å
525	A	39.2	Very low	45.5	Very low	87 Å²	87	108.5 Å²	108.5	72%	0.719	59%	0.589	S	S	*	*			trans	-68.8	79.6	173.5	0	0	0	0	0	110.4	K523	K523-A525 PolarHBondContact O-N 2.96Å
526	S	34	Very low	47.1	Very low	114 Å²	114	107.1 Å²	107.1	80%	0.797	57%	0.574	S	S	*	*			trans	-98.6	116	165.3	48.3	0	0	0	0	108.7	H524	H524-S526 PolarHBondContact O-N 2.71Å
527	G	34.9	Very low	48.9	Very low	62 Å²	62	106.2 Å²	106.2	64%	0.639	57%	0.567	S	S	*	*	S	Bend	trans	139.7	115.2	167.6	0	0	0	0	0	114.1	R529	G527-R529 PolarHBondContact O-N 2.63Å
528	N	35.2	Very low	50.6	Low	182 Å²	182	105.4 Å²	105.4	97%	0.973	56%	0.563	S	S	*	*			trans	-38.6	103.2	161.7	-116.6	-10.7	0	0	0	110.5
529	R	37.2	Very low	52.8	Low	227 Å²	227	102.9 Å²	102.9	86%	0.857	54%	0.536	S	S	*	.			trans	-131	124.8	172.2	-77.7	-172	-177.1	178.7	1.7	110.3	G527	G527-R529 PolarHBondContact O-N 2.63Å
530	T	35.6	Very low	54.8	Low	119 Å²	119	95.1 Å²	95.1	73%	0.73	51%	0.508	S	S	*	.			trans	-53.2	133.9	-175.7	42.5	0	0	0	0	110.4	K532	T530-K532 PolarHBondContact O-N 2.78Å
531	S	39.6	Very low	56.7	Low	114 Å²	114	96 Å²	96	80%	0.797	51%	0.512	S	S	*	.			trans	-66.6	69.2	179.8	-173.5	0	0	0	0	110.6	E533	S531-E533 VanDerWaalsContact C-N 3.33Å; S531-E533 PolarHBondContact O-N 2.77Å; S531-E533 VanDerWaalsContact O-N 3.09Å
532	K	44	Very low	59.1	Low	166 Å²	166	90.3 Å²	90.3	72%	0.722	48%	0.483	S	S	*	.			trans	-79.8	89.9	168.8	-74.5	-168	175	-174.5	0	107.9	T530 G534	T530-K532 PolarHBondContact O-N 2.78Å; K532-G534 PolarHBondContact O-N 2.61Å
533	E	52.7	Low	61.7	Low	132 Å²	132	82.9 Å²	82.9	62%	0.617	46%	0.459	S	S	*	.			trans	50.9	48.3	150.5	-55.5	-153.1	111.2	0	0	119	K457 S531	K457-E533 VanDerWaalsContact NZ-CD 3.31Å; K457-E533 IonicContact NZ-OE1 3.72Å; K457-E533 PolarHBondContact NZ-OE1 2.81Å; S531-E533 VanDerWaalsContact C-N 3.33Å; S531-E533 PolarHBondContact O-N 2.77Å; S531-E533 VanDerWaalsContact O-N 3.09Å
534	G	68.3	Low	64.2	Low	36 Å²	36	78.6 Å²	78.6	37%	0.371	44%	0.439	S	S	.	.			trans	-70.5	176	168.6	0	0	0	0	0	114.1	K457 K532	K457-G534 WeakPolarHBondContact CD-O 3.3Å; K532-G534 PolarHBondContact O-N 2.61Å
535	A	80.7	Confident	66.6	Low	10 Å²	10	72.4 Å²	72.4	8%	0.083	41%	0.412	C	S	.	.			trans	-66.3	146.6	165.4	0	0	0	0	0	111	K457 C459 A497 L508 C509	K457-A535 CarbonylContact O-C 3.49Å; K457-A535 WeakPolarHBondContact O-CA 3.35Å; C459-A535 HydrophobicContact CB-CB 4.15Å; A497-A535 HydrophobicContact CB-CB 3.92Å; L508-A535 HydrophobicContact CB-CB 3.89Å; L508-A535 WeakPolarHBondContact CD1-O 3.31Å; C509-A535 VanDerWaalsContact SG-CB 3.56Å; C509-A535 PolarHBondContact SG-N 2.93Å; C509-A535 VanDerWaalsContact SG-N 3.4Å
536	D	88.6	Confident	68.8	Low	22 Å²	22	71 Å²	71	12%	0.118	39%	0.39	C	S	.	.	S	Bend	trans	-83.1	-32.1	169.2	-61.3	-49.5	0	0	0	111.7	L442 R446 L448 A456 K457 L508	L442-D536 WeakPolarHBondContact CD2-O 3.3Å; R446-D536 IonicContact CZ-OD1 2.75Å; R446-D536 IonicContact NE-OD1 3.14Å; R446-D536 PolarHBondContact NE-OD1 3.47Å; R446-D536 IonicContact NH2-OD1 2.67Å; R446-D536 PolarHBondContact NH2-OD1 2.79Å; L448-D536 HydrophobicContact CD1-CB 3.75Å; A456-D536 HydrophobicContact CB-CB 4.4Å; K457-D536 WeakPolarHBondContact CB-OD2 3.01Å; K457-D536 PolarHBondContact N-OD2 3.39Å; K457-D536 PolarHBondContact O-N 2.79Å; L508-D536 VanDerWaalsContact CD1-C 3.49Å; L508-D536 VanDerWaalsContact CD1-O 3.29Å; L508-D536 WeakPolarHBondContact CD1-O 3.11Å
537	V	91.3	Very high	71.4	Confident	0 Å²	0	65.6 Å²	65.6	0%	0	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	141.2	177.7	61.5	0	0	0	0	111.8	A440 V441 L442 L453 K457 A458 C459 F539 M560	A440-V537 HydrophobicContact CB-CG2 4.11Å; V441-V537 WeakPolarHBondContact O-CA 3.18Å; L442-V537 HydrophobicContact CD2-CB 3.47Å; L442-V537 VanDerWaalsContact CD2-CB 3.47Å; L442-V537 HydrophobicContact CD2-CG2 3.6Å; L453-V537 HydrophobicContact CD2-CG1 3.91Å; K457-V537 PolarHBondContact O-N 2.93Å; A458-V537 WeakPolarHBondContact CA-O 3.24Å; A458-V537 HydrophobicContact CB-CG1 3.7Å; C459-V537 PolarHBondContact N-O 2.79Å; V537-F539 HydrophobicContact CB-CE2 4.42Å; V537-F539 HydrophobicContact CG1-CD2 4.34Å; V537-F539 HydrophobicContact CG1-CE2 3.71Å; V537-F539 HydrophobicContact CG1-CZ 4.47Å; V537-F539 HydrophobicContact CG2-CD2 4.19Å; V537-F539 HydrophobicContact CG2-CE2 3.78Å; V537-F539 HydrophobicContact CG2-CZ 4.04Å; V537-M560 HydrophobicContact CG2-CE 4.15Å
538	A	90.6	Very high	73.8	Confident	0 Å²	0	64.7 Å²	64.7	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	121.5	171.9	0	0	0	0	0	110.6	A440 V441 C459 L508 L540	A440-A538 CarbonylContact C-O 3.6Å; A440-A538 WeakPolarHBondContact CA-O 3.35Å; V441-A538 HydrophobicContact CB-CB 4.42Å; V441-A538 PolarHBondContact N-O 2.85Å; V441-A538 PolarHBondContact O-N 3.11Å; C459-A538 WeakPolarHBondContact O-CA 3.43Å; C459-A538 WeakPolarHBondContact SG-CB 3.46Å; L508-A538 HydrophobicContact CB-CB 4.12Å; L508-A538 HydrophobicContact CD2-CB 4Å; A538-L540 HydrophobicContact CB-CD1 4.49Å; A538-L540 HydrophobicContact CB-CD2 4.34Å; A538-L540 HydrophobicContact CB-CG 4.27Å
539	F	93.5	Very high	76	Confident	0 Å²	0	60 Å²	60	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	116.1	172.6	-68.6	-87.7	0	0	0	110.2	L439 A440 L453 A458 C459 F460 G461 T465 T469 F494 V537 M560 W577	L439-F539 CarbonylContact O-C 3.58Å; L439-F539 WeakPolarHBondContact O-CA 3.24Å; A440-F539 HydrophobicContact CB-CD1 3.69Å; A440-F539 HydrophobicContact CB-CE1 3.44Å; A440-F539 VanDerWaalsContact CB-CE1 3.44Å; A440-F539 HydrophobicContact CB-CZ 4.12Å; L453-F539 HydrophobicContact CD1-CZ 4.03Å; A458-F539 HydrophobicContact CB-CE2 4.4Å; C459-F539 PolarHBondContact O-N 3.01Å; F460-F539 CarbonylContact C-O 3.3Å; F460-F539 WeakPolarHBondContact CA-O 3.42Å; F460-F539 HydrophobicContact CD1-CB 3.66Å; F460-F539 AromaticContact CD1-CD2 3.94Å; F460-F539 HydrophobicContact CD1-CD2 3.94Å; F460-F539 HydrophobicContact CD1-CG 4.11Å; F460-F539 HydrophobicContact CE1-CB 4.05Å; F460-F539 AromaticContact CE1-CD2 3.48Å; F460-F539 HydrophobicContact CE1-CD2 3.48Å; F460-F539 VanDerWaalsContact CE1-CD2 3.48Å; F460-F539 HydrophobicContact CE1-CE2 4.17Å; F460-F539 AromaticContact CE1-CG 3.96Å; F460-F539 HydrophobicContact CE1-CG 3.96Å; F460-F539 HydrophobicContact CZ-CD2 4.12Å; G461-F539 PolarHBondContact N-O 2.91Å; T465-F539 HydrophobicContact CG2-CB 4.19Å; T465-F539 WeakPolarHBondContact CG2-O 3.38Å; T469-F539 HydrophobicContact CG2-CD1 3.6Å; T469-F539 HydrophobicContact CG2-CD2 4.07Å; T469-F539 HydrophobicContact CG2-CE1 3.5Å; T469-F539 HydrophobicContact CG2-CE2 4Å; T469-F539 HydrophobicContact CG2-CG 3.87Å; T469-F539 HydrophobicContact CG2-CZ 3.72Å; F494-F539 HydrophobicContact CZ-CE2 4.26Å; V537-F539 HydrophobicContact CB-CE2 4.42Å; V537-F539 HydrophobicContact CG1-CD2 4.34Å; V537-F539 HydrophobicContact CG1-CE2 3.71Å; V537-F539 HydrophobicContact CG1-CZ 4.47Å; V537-F539 HydrophobicContact CG2-CD2 4.19Å; V537-F539 HydrophobicContact CG2-CE2 3.78Å; V537-F539 HydrophobicContact CG2-CZ 4.04Å; F539-M560 HydrophobicContact CE1-CE 4.43Å; F539-M560 HydrophobicContact CZ-CE 4.08Å; F539-W577 HydrophobicContact CE1-CD2 4.07Å; F539-W577 AromaticContact CE1-CE2 3.96Å; F539-W577 HydrophobicContact CE1-CE3 4.1Å; F539-W577 AromaticContact CE1-CH2 3.97Å; F539-W577 HydrophobicContact CE1-CH2 3.97Å; F539-W577 AromaticContact CE1-CZ2 3.93Å; F539-W577 HydrophobicContact CE1-CZ2 3.93Å; F539-W577 HydrophobicContact CE1-CZ3 4.04Å; F539-W577 HydrophobicContact CZ-CH2 4.26Å; F539-W577 HydrophobicContact CZ-CZ2 4.41Å
540	L	91.4	Very high	78	Confident	3 Å²	3	49.3 Å²	49.3	2%	0.016	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.6	-170.6	-53.6	175	0	0	0	109.8	L438 L439 V441 L511 A538 L542	L438-L540 CarbonylContact C-O 3.59Å; L438-L540 WeakPolarHBondContact CA-O 3.26Å; L439-L540 PolarHBondContact N-O 3.49Å; L439-L540 PolarHBondContact O-N 3.2Å; V441-L540 HydrophobicContact CG2-CD1 3.93Å; L511-L540 HydrophobicContact CB-CD1 3.74Å; L511-L540 HydrophobicContact CB-CD2 4.23Å; L511-L540 HydrophobicContact CD1-CD1 4.12Å; L511-L540 VanDerWaalsContact O-CD2 3.3Å; L511-L540 WeakPolarHBondContact O-CD2 3.47Å; A538-L540 HydrophobicContact CB-CD1 4.49Å; A538-L540 HydrophobicContact CB-CD2 4.34Å; A538-L540 HydrophobicContact CB-CG 4.27Å; L540-L542 HydrophobicContact CB-CD1 4.04Å; L540-L542 HydrophobicContact CB-CD2 3.94Å; L540-L542 HydrophobicContact CB-CG 3.73Å; L540-L542 HydrophobicContact CD1-CD1 4.1Å
541	N	91.9	Very high	80.3	Confident	60 Å²	60	46 Å²	46	32%	0.321	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-101	97.6	171.1	-174.1	15.9	0	0	0	108.4	S436 Y437 L438	S436-N541 WeakPolarHBondContact CB-OD1 3.36Å; S436-N541 PolarHBondContact OG-OD1 2.6Å; Y437-N541 WeakPolarHBondContact O-CA 3.33Å; L438-N541 HydrophobicContact CD1-CB 4.47Å
542	L	90.4	Very high	82.1	Confident	9 Å²	9	49.7 Å²	49.7	5%	0.047	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	139.8	-169.1	-58.8	-177.7	0	0	0	111	S436 Y437 L517 L540 Q546 V547 L550	S436-L542 CarbonylContact C-O 3.58Å; S436-L542 VanDerWaalsContact CA-O 3.26Å; S436-L542 WeakPolarHBondContact CA-O 3.24Å; S436-L542 WeakPolarHBondContact CB-O 3.46Å; Y437-L542 PolarHBondContact N-O 3.17Å; Y437-L542 PolarHBondContact O-N 3.4Å; L517-L542 HydrophobicContact CD2-CD2 4.02Å; L540-L542 HydrophobicContact CB-CD1 4.04Å; L540-L542 HydrophobicContact CB-CD2 3.94Å; L540-L542 HydrophobicContact CB-CG 3.73Å; L540-L542 HydrophobicContact CD1-CD1 4.1Å; L542-Q546 HydrophobicContact CB-CB 4.03Å; L542-Q546 HydrophobicContact CD2-CB 4.18Å; L542-V547 HydrophobicContact CB-CG2 3.73Å; L542-V547 HydrophobicContact CD1-CG2 4.3Å; L542-L550 HydrophobicContact CD1-CD2 3.96Å
543	N	88.5	Confident	83.1	Confident	51 Å²	51	43.7 Å²	43.7	27%	0.273	22%	0.219	S	C	.	.			trans	-76.5	169.8	165.5	71.7	42.9	0	0	0	110.9	A435 D545 Q546 V547	A435-N543 WeakPolarHBondContact O-CA 3.28Å; A435-N543 WeakPolarHBondContact O-CB 3.22Å; N543-D545 VanDerWaalsContact C-N 3.34Å; N543-D545 PolarHBondContact O-N 2.89Å; N543-D545 PolarHBondContact OD1-N 2.88Å; N543-Q546 PolarHBondContact ND2-OE1 3.43Å; N543-Q546 PolarHBondContact O-N 3.29Å; N543-Q546 WeakPolarHBondContact OD1-CG 3.42Å; N543-Q546 PolarHBondContact OD1-N 3.4Å; N543-V547 WeakPolarHBondContact O-CG2 3.22Å; N543-V547 PolarHBondContact O-N 2.96Å
544	Y	87.2	Confident	83.7	Confident	75 Å²	75	38.4 Å²	38.4	29%	0.294	20%	0.196	S	C	.	.	H	α-helix	trans	-53.8	-47.1	-179.1	-179.1	-92.7	0	0	0	113.1	V433 Q546 V547 M548 F572	V433-Y544 HydrophobicContact CB-CD2 4.49Å; V433-Y544 HydrophobicContact CG1-CD2 3.99Å; V433-Y544 HydrophobicContact CG1-CE2 4.23Å; Y544-Q546 VanDerWaalsContact C-N 3.31Å; Y544-Q546 PolarHBondContact O-N 2.01Å; Y544-V547 PolarHBondContact O-N 3.3Å; Y544-V547 VanDerWaalsContact O-N 3.15Å; Y544-M548 HydrophobicContact CD1-CG 3.95Å; Y544-M548 HydrophobicContact CE1-CG 3.54Å; Y544-M548 HydrophobicContact CE1-SD 4.12Å; Y544-M548 HydrophobicContact CE2-CG 4.47Å; Y544-M548 HydrophobicContact CE2-SD 4.23Å; Y544-M548 WeakPolarHBondContact O-CG 3.07Å; Y544-M548 PolarHBondContact O-N 3.32Å; Y544-F572 AromaticContact CD2-CZ 3.84Å; Y544-F572 HydrophobicContact CD2-CZ 3.84Å; Y544-F572 HydrophobicContact CE2-CZ 4Å
545	D	83.4	Confident	84	Confident	51 Å²	51	42.5 Å²	42.5	27%	0.273	21%	0.21	S	C	.	.	H	α-helix	trans	-62.4	-41.3	-177.5	-65.2	-22.6	0	0	0	111	N543 V547 M548 E549 K634	N543-D545 VanDerWaalsContact C-N 3.34Å; N543-D545 PolarHBondContact O-N 2.89Å; N543-D545 PolarHBondContact OD1-N 2.88Å; D545-V547 PolarHBondContact O-N 2.99Å; D545-M548 PolarHBondContact O-N 2.84Å; D545-E549 WeakPolarHBondContact O-CG 3.36Å; D545-E549 PolarHBondContact O-N 2.87Å; D545-K634 WeakPolarHBondContact OD2-CE 3.33Å; D545-K634 IonicContact OD2-NZ 3.91Å; D545-K634 PolarHBondContact OD2-NZ 2.86Å
546	Q	86.1	Confident	83.8	Confident	58 Å²	58	46.6 Å²	46.6	27%	0.271	23%	0.23	S	C	.	.	H	α-helix	trans	-65.3	-36.6	175.7	-70.3	174.8	-50.8	0	0	112.7	L517 L542 N543 Y544 E549 L550	L517-Q546 HydrophobicContact CD2-CB 3.77Å; L517-Q546 HydrophobicContact CD2-CG 3.84Å; L542-Q546 HydrophobicContact CB-CB 4.03Å; L542-Q546 HydrophobicContact CD2-CB 4.18Å; N543-Q546 PolarHBondContact ND2-OE1 3.43Å; N543-Q546 PolarHBondContact O-N 3.29Å; N543-Q546 WeakPolarHBondContact OD1-CG 3.42Å; N543-Q546 PolarHBondContact OD1-N 3.4Å; Y544-Q546 VanDerWaalsContact C-N 3.31Å; Y544-Q546 PolarHBondContact O-N 2.01Å; Q546-E549 PolarHBondContact O-N 2.66Å; Q546-L550 WeakPolarHBondContact O-CB 3.47Å; Q546-L550 PolarHBondContact O-N 3.48Å
547	V	87.6	Confident	83.7	Confident	1 Å²	1	46.4 Å²	46.4	1%	0.006	23%	0.228	C	C	.	.	H	α-helix	trans	-64.7	-43.7	173.4	175.4	0	0	0	0	110.4	L439 L542 N543 Y544 D545 E549 L550 Q551 F572	L439-V547 HydrophobicContact CD1-CG2 3.84Å; L542-V547 HydrophobicContact CB-CG2 3.73Å; L542-V547 HydrophobicContact CD1-CG2 4.3Å; N543-V547 WeakPolarHBondContact O-CG2 3.22Å; N543-V547 PolarHBondContact O-N 2.96Å; Y544-V547 PolarHBondContact O-N 3.3Å; Y544-V547 VanDerWaalsContact O-N 3.15Å; D545-V547 PolarHBondContact O-N 2.99Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 3.47Å; V547-L550 PolarHBondContact O-N 2.92Å; V547-Q551 VanDerWaalsContact O-CG 3.31Å; V547-Q551 WeakPolarHBondContact O-CG 3.44Å; V547-Q551 PolarHBondContact O-N 2.61Å; V547-F572 HydrophobicContact CG1-CB 4.29Å; V547-F572 HydrophobicContact CG1-CD1 3.64Å; V547-F572 HydrophobicContact CG1-CD2 4.08Å; V547-F572 HydrophobicContact CG1-CE1 3.89Å; V547-F572 HydrophobicContact CG1-CE2 4.31Å; V547-F572 HydrophobicContact CG1-CG 3.73Å; V547-F572 HydrophobicContact CG1-CZ 4.22Å; V547-F572 HydrophobicContact CG2-CD2 4.42Å
548	M	86	Confident	83.7	Confident	42 Å²	42	48.1 Å²	48.1	21%	0.207	24%	0.236	C	C	.	.	H	α-helix	trans	-64	-37.9	176.1	-62.7	-54.6	-59.6	0	0	112.2	Y544 D545 Q551 R552	Y544-M548 HydrophobicContact CD1-CG 3.95Å; Y544-M548 HydrophobicContact CE1-CG 3.54Å; Y544-M548 HydrophobicContact CE1-SD 4.12Å; Y544-M548 HydrophobicContact CE2-CG 4.47Å; Y544-M548 HydrophobicContact CE2-SD 4.23Å; Y544-M548 WeakPolarHBondContact O-CG 3.07Å; Y544-M548 PolarHBondContact O-N 3.32Å; D545-M548 PolarHBondContact O-N 2.84Å; M548-Q551 PolarHBondContact O-N 3.21Å; M548-Q551 PolarHBondContact SD-OE1 3.3Å; M548-R552 WeakPolarHBondContact O-CG 3.29Å; M548-R552 PolarHBondContact O-N 3.01Å; M548-R552 VanDerWaalsContact O-N 3.13Å
549	E	80.5	Confident	83.9	Confident	84 Å²	84	48.1 Å²	48.1	39%	0.393	24%	0.236	S	C	.	.	H	α-helix	trans	-62.8	-46.4	173	-75.9	173.5	-177.6	0	0	111.5	D545 Q546 V547 Q551 R552 A553	D545-E549 WeakPolarHBondContact O-CG 3.36Å; D545-E549 PolarHBondContact O-N 2.87Å; Q546-E549 PolarHBondContact O-N 2.66Å; V547-E549 VanDerWaalsContact C-N 3.34Å; V547-E549 PolarHBondContact O-N 3.47Å; E549-Q551 VanDerWaalsContact C-N 3.31Å; E549-Q551 PolarHBondContact O-N 3.48Å; E549-R552 PolarHBondContact O-N 3.46Å; E549-R552 VanDerWaalsContact O-N 3.17Å; E549-A553 WeakPolarHBondContact O-CB 3.44Å; E549-A553 PolarHBondContact O-N 2.94Å
550	L	80.6	Confident	84.1	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	24%	0.236	C	C	.	.	H	α-helix	trans	-61.2	-39.3	177.6	-174.2	63.6	0	0	0	112.2	V441 L511 L542 Q546 V547 A553 S554 F557 L569	V441-L550 HydrophobicContact CG2-CD2 4.28Å; L511-L550 HydrophobicContact CD1-CD1 4.09Å; L511-L550 HydrophobicContact CD2-CD1 3.7Å; L542-L550 HydrophobicContact CD1-CD2 3.96Å; Q546-L550 WeakPolarHBondContact O-CB 3.47Å; Q546-L550 PolarHBondContact O-N 3.48Å; V547-L550 PolarHBondContact O-N 2.92Å; L550-A553 PolarHBondContact O-N 2.8Å; L550-S554 PolarHBondContact O-N 3.48Å; L550-F557 HydrophobicContact CD1-CD2 4.18Å; L550-F557 HydrophobicContact CD1-CE2 4.3Å; L550-L569 HydrophobicContact CD2-CD1 4.34Å; L550-L569 HydrophobicContact CD2-CD2 3.98Å; L550-L569 HydrophobicContact CG-CD1 3.96Å; L550-L569 HydrophobicContact CG-CD2 4.49Å
551	Q	83.1	Confident	84.3	Confident	49 Å²	49	48.2 Å²	48.2	23%	0.229	24%	0.237	C	C	.	.	H	α-helix	trans	-62	-41.8	174.6	-75.2	169	6.1	0	0	112.6	V547 M548 E549 L569 D570	V547-Q551 VanDerWaalsContact O-CG 3.31Å; V547-Q551 WeakPolarHBondContact O-CG 3.44Å; V547-Q551 PolarHBondContact O-N 2.61Å; M548-Q551 PolarHBondContact O-N 3.21Å; M548-Q551 PolarHBondContact SD-OE1 3.3Å; E549-Q551 VanDerWaalsContact C-N 3.31Å; E549-Q551 PolarHBondContact O-N 3.48Å; Q551-L569 HydrophobicContact CG-CB 3.54Å; Q551-L569 HydrophobicContact CG-CD1 4.42Å; Q551-L569 VanDerWaalsContact NE2-C 3.33Å; Q551-L569 PolarHBondContact NE2-O 2.98Å; Q551-D570 VanDerWaalsContact NE2-CA 3.29Å
552	R	77.4	Confident	84.4	Confident	192 Å²	192	47.4 Å²	47.4	73%	0.725	24%	0.235	S	C	*	.	H	α-helix	trans	-72.7	-35.1	178.6	-69.8	-178.6	-166.4	117.2	-0.7	112.4	M548 E549 S554	M548-R552 WeakPolarHBondContact O-CG 3.29Å; M548-R552 PolarHBondContact O-N 3.01Å; M548-R552 VanDerWaalsContact O-N 3.13Å; E549-R552 PolarHBondContact O-N 3.46Å; E549-R552 VanDerWaalsContact O-N 3.17Å; R552-S554 PolarHBondContact O-N 3.47Å
553	A	66.5	Low	84.5	Confident	41 Å²	41	51.6 Å²	51.6	34%	0.339	26%	0.258	S	S	.	.	H	α-helix	trans	-68.4	-32.7	-174.7	0	0	0	0	0	113.1	L520 E549 L550	L520-A553 HydrophobicContact CB-CB 4.04Å; E549-A553 WeakPolarHBondContact O-CB 3.44Å; E549-A553 PolarHBondContact O-N 2.94Å; L550-A553 PolarHBondContact O-N 2.8Å
554	S	65.2	Low	84.7	Confident	21 Å²	21	50.5 Å²	50.5	15%	0.147	26%	0.258	C	S	.	.			trans	-163.4	129.3	-177.3	-162.1	0	0	0	0	114.7	L550 R552 L556	L550-S554 PolarHBondContact O-N 3.48Å; R552-S554 PolarHBondContact O-N 3.47Å; S554-L556 PolarHBondContact O-N 3.06Å; S554-L556 WeakPolarHBondContact OG-CB 3.39Å; S554-L556 WeakPolarHBondContact OG-CD1 3.33Å; S554-L556 WeakPolarHBondContact OG-CG 2.88Å; S554-L556 PolarHBondContact OG-N 2.58Å
555	N	74.2	Confident	85	Confident	122 Å²	122	52.4 Å²	52.4	65%	0.652	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.2	7	166	72.4	-10.9	0	0	0	112.9	K444	K444-N555 VanDerWaalsContact CD-O 3.25Å; K444-N555 WeakPolarHBondContact CD-O 3.37Å; K444-N555 WeakPolarHBondContact CE-O 3.03Å; K444-N555 PolarHBondContact NZ-O 2.9Å
556	L	76.4	Confident	85.4	Confident	96 Å²	96	53 Å²	53	50%	0.503	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.6	-10.5	-175.2	-61.5	174.3	0	0	0	113.8	T443 K444 S554	T443-L556 CarbonylContact C-O 3.47Å; K444-L556 PolarHBondContact N-O 2.82Å; S554-L556 PolarHBondContact O-N 3.06Å; S554-L556 WeakPolarHBondContact OG-CB 3.39Å; S554-L556 WeakPolarHBondContact OG-CD1 3.33Å; S554-L556 WeakPolarHBondContact OG-CG 2.88Å; S554-L556 PolarHBondContact OG-N 2.58Å
557	F	86.8	Confident	85.8	Confident	18 Å²	18	54.6 Å²	54.6	8%	0.079	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	153.1	-173.8	-57.9	-60.6	0	0	0	112.9	V441 L442 T443 L508 L511 L550 L569	V441-F557 HydrophobicContact CG1-CB 3.73Å; V441-F557 HydrophobicContact CG1-CD1 4.07Å; V441-F557 HydrophobicContact CG1-CG 3.98Å; L442-F557 CarbonylContact O-C 3.5Å; L442-F557 VanDerWaalsContact O-CA 3.22Å; L442-F557 WeakPolarHBondContact O-CA 3.43Å; T443-F557 HydrophobicContact CG2-CD1 4.4Å; T443-F557 HydrophobicContact CG2-CE1 4.26Å; L508-F557 HydrophobicContact CD2-CD1 3.81Å; L508-F557 HydrophobicContact CD2-CE1 3.74Å; L508-F557 HydrophobicContact CG-CE1 4.36Å; L511-F557 HydrophobicContact CD1-CD1 4.47Å; L511-F557 HydrophobicContact CD1-CE1 4.14Å; L511-F557 HydrophobicContact CD1-CE2 4.23Å; L511-F557 HydrophobicContact CD1-CZ 4.02Å; L511-F557 HydrophobicContact CD2-CE2 4.35Å; L511-F557 HydrophobicContact CD2-CZ 4.38Å; L511-F557 HydrophobicContact CG-CZ 4.46Å; L550-F557 HydrophobicContact CD1-CD2 4.18Å; L550-F557 HydrophobicContact CD1-CE2 4.3Å; F557-L569 HydrophobicContact CB-CD1 4.01Å; F557-L569 HydrophobicContact CB-CG 4.46Å
558	M	91.3	Very high	86	Confident	35 Å²	35	61.9 Å²	61.9	17%	0.172	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158	170.6	-64.7	-157.8	-64.5	0	0	110.1	L442 K444 R566	L442-M558 PolarHBondContact N-O 3.49Å; L442-M558 PolarHBondContact O-N 3.5Å; K444-M558 HydrophobicContact CG-CE 4.36Å; K444-M558 HydrophobicContact CG-CG 3.54Å; K444-M558 HydrophobicContact CG-SD 4.02Å; M558-R566 HydrophobicContact CE-CB 4.47Å; M558-R566 HydrophobicContact CE-CG 4.49Å; M558-R566 VanDerWaalsContact CE-NH1 3.35Å
559	L	94.7	Very high	86.2	Confident	1 Å²	1	60.5 Å²	60.5	1%	0.005	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	138.8	172.4	-60.1	175.7	0	0	0	110.4	L439 A440 V441 R566 R567 R568 L569 F572 C575	L439-L559 HydrophobicContact CB-CD2 4.07Å; L439-L559 HydrophobicContact CD1-CD2 4.2Å; L439-L559 HydrophobicContact CD2-CD2 4.4Å; L439-L559 HydrophobicContact CG-CD2 4.46Å; A440-L559 CarbonylContact O-C 3.45Å; A440-L559 WeakPolarHBondContact O-CA 3.4Å; V441-L559 HydrophobicContact CG2-CD2 4.2Å; L559-R566 VanDerWaalsContact O-CA 3.31Å; L559-R566 WeakPolarHBondContact O-CA 3.44Å; L559-R567 HydrophobicContact CB-CB 4.42Å; L559-R567 PolarHBondContact N-O 3.04Å; L559-R567 PolarHBondContact O-N 3.03Å; L559-R567 VanDerWaalsContact O-N 3.16Å; L559-R568 WeakPolarHBondContact CD1-O 3.22Å; L559-L569 HydrophobicContact CD2-CD2 3.6Å; L559-L569 HydrophobicContact CG-CD2 3.97Å; L559-F572 VanDerWaalsContact CD1-CA 3.46Å; L559-F572 HydrophobicContact CD1-CB 3.68Å; L559-C575 HydrophobicContact CB-CB 4.37Å; L559-C575 WeakPolarHBondContact CB-SG 3.24Å; L559-C575 HydrophobicContact CD1-CB 4.05Å
560	M	96.1	Very high	86.6	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	113.3	165.8	-179.3	-178.7	74.2	0	0	108.6	A440 L442 L448 P450 L453 V537 F539 W577	A440-M560 HydrophobicContact CB-CB 4.12Å; A440-M560 HydrophobicContact CB-CE 3.76Å; A440-M560 PolarHBondContact O-N 3.21Å; L442-M560 HydrophobicContact CD1-CB 3.71Å; L442-M560 HydrophobicContact CD1-CG 4.24Å; L442-M560 HydrophobicContact CD1-SD 4.2Å; L442-M560 HydrophobicContact CG-CB 3.96Å; L448-M560 HydrophobicContact CB-SD 4.25Å; P450-M560 HydrophobicContact CG-CG 4.48Å; L453-M560 HydrophobicContact CD1-CE 3.82Å; L453-M560 HydrophobicContact CD2-CE 3.87Å; L453-M560 HydrophobicContact CD2-SD 4.24Å; L453-M560 HydrophobicContact CG-CE 4.2Å; V537-M560 HydrophobicContact CG2-CE 4.15Å; F539-M560 HydrophobicContact CE1-CE 4.43Å; F539-M560 HydrophobicContact CZ-CE 4.08Å; M560-W577 HydrophobicContact CE-CH2 4.25Å; M560-W577 HydrophobicContact CE-CZ2 3.55Å; M560-W577 PolarHBondContact O-NE1 2.72Å
561	C	96.1	Very high	87.1	Confident	4 Å²	4	63 Å²	63	3%	0.027	31%	0.305	C	S	.	.			trans	-84.3	157.8	-177.3	-47	0	0	0	0	111.2	P450 D563 G564 K565 R567 C575	P450-C561 WeakPolarHBondContact CG-O 3.14Å; C561-D563 WeakPolarHBondContact CB-OD1 3.36Å; C561-D563 PolarHBondContact O-N 3.11Å; C561-G564 PolarHBondContact O-N 2.8Å; C561-K565 WeakPolarHBondContact CB-O 3.34Å; C561-K565 PolarHBondContact N-O 2.04Å; C561-K565 PolarHBondContact SG-O 3.36Å; C561-R567 WeakPolarHBondContact SG-CG 3.44Å; C561-C575 WeakPolarHBondContact CA-SG 3.41Å; C561-C575 HydrophobicContact CB-CB 4.15Å; C561-C575 WeakPolarHBondContact CB-SG 3.4Å; C561-C575 PolarHBondContact N-SG 2.91Å; C561-C575 WeakPolarHBondContact SG-CB 3.44Å; C561-C575 CovalentContact SG-SG 2.02Å; C561-C575 PolarHBondContact SG-SG 3.36Å
562	P	94.4	Very high	87.6	Confident	44 Å²	44	61.1 Å²	61.1	29%	0.286	30%	0.296	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.1	-27.4	175.7	-25.7	35.5	0	0	0	114.2	L476 G564 T576 W577	L476-P562 HydrophobicContact CD1-CB 4.39Å; P562-G564 PolarHBondContact O-N 3.14Å; P562-T576 VanDerWaalsContact CG-O 3.3Å; P562-T576 WeakPolarHBondContact CG-O 3.2Å; P562-W577 HydrophobicContact CG-CD2 4.3Å; P562-W577 HydrophobicContact CG-CG 4.04Å
563	D	93.3	Very high	88.2	Confident	97 Å²	97	56.3 Å²	56.3	52%	0.519	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.1	3.3	176.5	74.3	-14.4	0	0	0	113.5	C561 K565	C561-D563 WeakPolarHBondContact CB-OD1 3.36Å; C561-D563 PolarHBondContact O-N 3.11Å; D563-K565 PolarHBondContact O-N 3.04Å; D563-K565 VanDerWaalsContact OD1-CB 3.27Å; D563-K565 WeakPolarHBondContact OD1-CB 3.08Å; D563-K565 PolarHBondContact OD1-N 3.12Å; D563-K565 WeakPolarHBondContact OD2-CD 3.48Å; D563-K565 WeakPolarHBondContact OD2-CE 3.06Å; D563-K565 WeakPolarHBondContact OD2-CG 3.21Å; D563-K565 IonicContact OD2-NZ 2.76Å; D563-K565 PolarHBondContact OD2-NZ 2.96Å
564	G	91.8	Very high	89.4	Confident	27 Å²	27	58.2 Å²	58.2	28%	0.278	30%	0.298	S	S	.	.	S	Bend	trans	81.9	-8	-177.7	0	0	0	0	0	114.9	C561 P562	C561-G564 PolarHBondContact O-N 2.8Å; P562-G564 PolarHBondContact O-N 3.14Å
565	K	93.5	Very high	90.8	Very high	115 Å²	115	57.2 Å²	57.2	50%	0.5	29%	0.292	S	S	.	.			trans	-72.2	162.5	174.9	-62.7	-179	-167.5	150.6	0	110.9	C561 D563	C561-K565 WeakPolarHBondContact CB-O 3.34Å; C561-K565 PolarHBondContact N-O 2.04Å; C561-K565 PolarHBondContact SG-O 3.36Å; D563-K565 PolarHBondContact O-N 3.04Å; D563-K565 VanDerWaalsContact OD1-CB 3.27Å; D563-K565 WeakPolarHBondContact OD1-CB 3.08Å; D563-K565 PolarHBondContact OD1-N 3.12Å; D563-K565 WeakPolarHBondContact OD2-CD 3.48Å; D563-K565 WeakPolarHBondContact OD2-CE 3.06Å; D563-K565 WeakPolarHBondContact OD2-CG 3.21Å; D563-K565 IonicContact OD2-NZ 2.76Å; D563-K565 PolarHBondContact OD2-NZ 2.96Å
566	R	92.7	Very high	91.7	Very high	65 Å²	65	52.8 Å²	52.8	25%	0.245	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	140.8	173	-69.1	162.7	175.7	-109.1	-48.5	109.6	R446 N447 L448 M558 L559	R446-R566 PolarHBondContact O-NH1 3.4Å; R446-R566 PolarHBondContact O-NH2 2.81Å; N447-R566 VanDerWaalsContact CA-CZ 3.48Å; N447-R566 PolarHBondContact OD1-NE 2.86Å; N447-R566 PolarHBondContact OD1-NH2 3.48Å; L448-R566 PolarHBondContact O-NH2 3.44Å; M558-R566 HydrophobicContact CE-CB 4.47Å; M558-R566 HydrophobicContact CE-CG 4.49Å; M558-R566 VanDerWaalsContact CE-NH1 3.35Å; L559-R566 VanDerWaalsContact O-CA 3.31Å; L559-R566 WeakPolarHBondContact O-CA 3.44Å
567	R	93.6	Very high	92.6	Very high	91 Å²	91	48.5 Å²	48.5	34%	0.343	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	152.6	179.4	-66.1	-69.9	-175.6	175.7	0.1	109.2	L559 C561 E571 C575	L559-R567 HydrophobicContact CB-CB 4.42Å; L559-R567 PolarHBondContact N-O 3.04Å; L559-R567 PolarHBondContact O-N 3.03Å; L559-R567 VanDerWaalsContact O-N 3.16Å; C561-R567 WeakPolarHBondContact SG-CG 3.44Å; R567-E571 HydrophobicContact CB-CB 3.97Å; R567-E571 WeakPolarHBondContact CD-OE2 3.47Å; R567-E571 IonicContact CZ-OE2 3.36Å; R567-E571 IonicContact NE-OE2 2.61Å; R567-E571 IonicContact NH1-OE2 3.37Å; R567-E571 PolarHBondContact NH1-OE2 3.36Å; R567-C575 HydrophobicContact CB-CB 3.77Å; R567-C575 HydrophobicContact CG-CB 3.8Å
568	R	92.2	Very high	93	Very high	154 Å²	154	47.9 Å²	47.9	58%	0.581	24%	0.244	S	C	*	.			trans	-70.7	160.3	172.5	-64.9	166.1	46.4	150.2	-2.4	109.6	L559 D570 E571	L559-R568 WeakPolarHBondContact CD1-O 3.22Å; R568-D570 WeakPolarHBondContact CB-OD1 3.13Å; R568-D570 IonicContact CZ-OD1 2.76Å; R568-D570 IonicContact CZ-OD2 3.32Å; R568-D570 IonicContact NE-OD1 3.29Å; R568-D570 PolarHBondContact NE-OD1 2.87Å; R568-D570 IonicContact NE-OD2 2.78Å; R568-D570 PolarHBondContact NE-OD2 2.8Å; R568-D570 IonicContact NH2-OD1 3.48Å; R568-D570 IonicContact NH2-OD2 3.28Å; R568-D570 PolarHBondContact NH2-OD2 3.15Å; R568-D570 PolarHBondContact O-N 2.04Å; R568-E571 PolarHBondContact N-OE1 2.84Å; R568-E571 PolarHBondContact O-N 2.73Å
569	L	89.5	Confident	93.1	Very high	13 Å²	13	48.6 Å²	48.6	7%	0.068	25%	0.25	C	C	.	.	G	3₁₀ helix	trans	-61.3	-26.6	179.9	-72.5	174	0	0	0	113.1	L550 Q551 F557 L559 E571 F572	L550-L569 HydrophobicContact CD2-CD1 4.34Å; L550-L569 HydrophobicContact CD2-CD2 3.98Å; L550-L569 HydrophobicContact CG-CD1 3.96Å; L550-L569 HydrophobicContact CG-CD2 4.49Å; Q551-L569 HydrophobicContact CG-CB 3.54Å; Q551-L569 HydrophobicContact CG-CD1 4.42Å; Q551-L569 VanDerWaalsContact NE2-C 3.33Å; Q551-L569 PolarHBondContact NE2-O 2.98Å; F557-L569 HydrophobicContact CB-CD1 4.01Å; F557-L569 HydrophobicContact CB-CG 4.46Å; L559-L569 HydrophobicContact CD2-CD2 3.6Å; L559-L569 HydrophobicContact CG-CD2 3.97Å; L569-E571 VanDerWaalsContact C-N 3.3Å; L569-F572 WeakPolarHBondContact O-CB 3.44Å; L569-F572 WeakPolarHBondContact O-CD1 3.32Å; L569-F572 PolarHBondContact O-N 2.9Å
570	D	89.3	Confident	93	Very high	79 Å²	79	49 Å²	49	42%	0.422	25%	0.253	S	S	.	.	G	3₁₀ helix	trans	-73	-18.1	174.7	52.3	-23.2	0	0	0	113.9	Q551 R568 F572	Q551-D570 VanDerWaalsContact NE2-CA 3.29Å; R568-D570 WeakPolarHBondContact CB-OD1 3.13Å; R568-D570 IonicContact CZ-OD1 2.76Å; R568-D570 IonicContact CZ-OD2 3.32Å; R568-D570 IonicContact NE-OD1 3.29Å; R568-D570 PolarHBondContact NE-OD1 2.87Å; R568-D570 IonicContact NE-OD2 2.78Å; R568-D570 PolarHBondContact NE-OD2 2.8Å; R568-D570 IonicContact NH2-OD1 3.48Å; R568-D570 IonicContact NH2-OD2 3.28Å; R568-D570 PolarHBondContact NH2-OD2 3.15Å; R568-D570 PolarHBondContact O-N 2.04Å; D570-F572 VanDerWaalsContact C-N 3.31Å; D570-F572 PolarHBondContact O-N 3.48Å
571	E	92	Very high	92.9	Very high	60 Å²	60	49.7 Å²	49.7	28%	0.28	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-91.4	13.6	175.4	-66.7	174.7	-82.1	0	0	112.7	R567 R568 L569 T573 S574 C575	R567-E571 HydrophobicContact CB-CB 3.97Å; R567-E571 WeakPolarHBondContact CD-OE2 3.47Å; R567-E571 IonicContact CZ-OE2 3.36Å; R567-E571 IonicContact NE-OE2 2.61Å; R567-E571 IonicContact NH1-OE2 3.37Å; R567-E571 PolarHBondContact NH1-OE2 3.36Å; R568-E571 PolarHBondContact N-OE1 2.84Å; R568-E571 PolarHBondContact O-N 2.73Å; L569-E571 VanDerWaalsContact C-N 3.3Å; E571-T573 PolarHBondContact O-N 3.2Å; E571-T573 VanDerWaalsContact O-N 3.11Å; E571-S574 PolarHBondContact O-N 3.06Å; E571-S574 PolarHBondContact O-OG 3.27Å; E571-C575 PolarHBondContact O-N 2.91Å
572	F	91.9	Very high	92.7	Very high	9 Å²	9	49.7 Å²	49.7	4%	0.039	26%	0.257	C	S	.	.	G	3₁₀ helix	trans	-55.3	-33.5	-171.6	72.5	-79.9	0	0	0	114.3	Y437 L439 Y544 V547 L559 L569 D570 S574 C575 T576	Y437-F572 HydrophobicContact CD1-CD2 4.05Å; Y437-F572 HydrophobicContact CD1-CE2 4.17Å; Y437-F572 HydrophobicContact CD2-CD2 4.17Å; Y437-F572 AromaticContact CD2-CE2 3.81Å; Y437-F572 HydrophobicContact CD2-CE2 3.81Å; Y437-F572 HydrophobicContact CE1-CD2 4.17Å; Y437-F572 AromaticContact CE1-CE2 3.91Å; Y437-F572 HydrophobicContact CE1-CE2 3.91Å; Y437-F572 HydrophobicContact CE2-CD2 4.33Å; Y437-F572 AromaticContact CE2-CE2 3.58Å; Y437-F572 HydrophobicContact CE2-CE2 3.58Å; Y437-F572 HydrophobicContact CG-CD2 4.02Å; Y437-F572 HydrophobicContact CG-CE2 4.1Å; Y437-F572 AromaticContact CZ-CE2 3.59Å; L439-F572 HydrophobicContact CD1-CB 4.33Å; L439-F572 HydrophobicContact CD2-CB 4.23Å; Y544-F572 AromaticContact CD2-CZ 3.84Å; Y544-F572 HydrophobicContact CD2-CZ 3.84Å; Y544-F572 HydrophobicContact CE2-CZ 4Å; V547-F572 HydrophobicContact CG1-CB 4.29Å; V547-F572 HydrophobicContact CG1-CD1 3.64Å; V547-F572 HydrophobicContact CG1-CD2 4.08Å; V547-F572 HydrophobicContact CG1-CE1 3.89Å; V547-F572 HydrophobicContact CG1-CE2 4.31Å; V547-F572 HydrophobicContact CG1-CG 3.73Å; V547-F572 HydrophobicContact CG1-CZ 4.22Å; V547-F572 HydrophobicContact CG2-CD2 4.42Å; L559-F572 VanDerWaalsContact CD1-CA 3.46Å; L559-F572 HydrophobicContact CD1-CB 3.68Å; L569-F572 WeakPolarHBondContact O-CB 3.44Å; L569-F572 WeakPolarHBondContact O-CD1 3.32Å; L569-F572 PolarHBondContact O-N 2.9Å; D570-F572 VanDerWaalsContact C-N 3.31Å; D570-F572 PolarHBondContact O-N 3.48Å; F572-S574 PolarHBondContact O-N 2.79Å; F572-C575 CarbonylContact O-C 3.59Å; F572-C575 VanDerWaalsContact O-C 3.27Å; F572-C575 PolarHBondContact O-N 2.85Å; F572-T576 WeakPolarHBondContact O-CG2 3.26Å
573	T	90.2	Very high	92.7	Very high	91 Å²	91	49 Å²	49	56%	0.558	25%	0.254	S	S	*	.	G	3₁₀ helix	trans	-60.6	-27.5	178.1	52.2	0	0	0	0	113	E571	E571-T573 PolarHBondContact O-N 3.2Å; E571-T573 VanDerWaalsContact O-N 3.11Å
574	S	91.5	Very high	92.9	Very high	80 Å²	80	44.4 Å²	44.4	56%	0.559	23%	0.229	S	C	*	.	G	3₁₀ helix	trans	-93.6	-8.6	175.6	72	0	0	0	0	114	E571 F572	E571-S574 PolarHBondContact O-N 3.06Å; E571-S574 PolarHBondContact O-OG 3.27Å; F572-S574 PolarHBondContact O-N 2.79Å
575	C	94.9	Very high	93.1	Very high	1 Å²	1	43.1 Å²	43.1	1%	0.007	22%	0.216	C	C	.	.	S	Bend	trans	-134.1	73.1	-173.1	-175.1	0	0	0	0	110.4	L439 L559 C561 R567 E571 F572	L439-C575 WeakPolarHBondContact CD2-O 3.39Å; L559-C575 HydrophobicContact CB-CB 4.37Å; L559-C575 WeakPolarHBondContact CB-SG 3.24Å; L559-C575 HydrophobicContact CD1-CB 4.05Å; C561-C575 WeakPolarHBondContact CA-SG 3.41Å; C561-C575 HydrophobicContact CB-CB 4.15Å; C561-C575 WeakPolarHBondContact CB-SG 3.4Å; C561-C575 PolarHBondContact N-SG 2.91Å; C561-C575 WeakPolarHBondContact SG-CB 3.44Å; C561-C575 CovalentContact SG-SG 2.02Å; C561-C575 PolarHBondContact SG-SG 3.36Å; R567-C575 HydrophobicContact CB-CB 3.77Å; R567-C575 HydrophobicContact CG-CB 3.8Å; E571-C575 PolarHBondContact O-N 2.91Å; F572-C575 CarbonylContact O-C 3.59Å; F572-C575 VanDerWaalsContact O-C 3.27Å; F572-C575 PolarHBondContact O-N 2.85Å
576	T	94.6	Very high	93.2	Very high	29 Å²	29	37.7 Å²	37.7	18%	0.178	19%	0.192	C	C	.	.			trans	-128.4	145.5	-179.5	44.5	0	0	0	0	110.8	Y437 L439 P562 F572 T579	Y437-T576 HydrophobicContact CD1-CG2 3.54Å; Y437-T576 HydrophobicContact CE1-CG2 4.46Å; Y437-T576 HydrophobicContact CG-CG2 4.23Å; L439-T576 HydrophobicContact CD2-CG2 3.45Å; L439-T576 VanDerWaalsContact CD2-CG2 3.45Å; P562-T576 VanDerWaalsContact CG-O 3.3Å; P562-T576 WeakPolarHBondContact CG-O 3.2Å; F572-T576 WeakPolarHBondContact O-CG2 3.26Å; T576-T579 HydrophobicContact CG2-CG2 4.44Å
577	W	95.3	Very high	93.4	Very high	5 Å²	5	34.6 Å²	34.6	2%	0.019	18%	0.181	C	C	.	.	S	Bend	trans	-86.7	-30.3	175.9	-78	59.6	0	0	0	111.9	L438 A440 P450 L453 T469 L472 L473 L476 F539 M560 P562	L438-W577 HydrophobicContact CB-CB 4.38Å; L438-W577 HydrophobicContact CD2-CB 4.17Å; L438-W577 HydrophobicContact CG-CB 4.04Å; L438-W577 WeakPolarHBondContact O-CB 3.36Å; L438-W577 PolarHBondContact O-N 3.19Å; A440-W577 HydrophobicContact CB-CZ2 4.28Å; P450-W577 HydrophobicContact CB-CH2 4.13Å; P450-W577 HydrophobicContact CB-CZ2 4.34Å; P450-W577 HydrophobicContact CG-CH2 4.25Å; P450-W577 HydrophobicContact CG-CZ2 3.97Å; L453-W577 HydrophobicContact CD1-CH2 4.15Å; T469-W577 HydrophobicContact CG2-CZ3 4.43Å; L472-W577 HydrophobicContact CB-CE3 4.07Å; L472-W577 HydrophobicContact CB-CZ3 4.43Å; L472-W577 HydrophobicContact CD1-CB 4.15Å; L472-W577 HydrophobicContact CD1-CE3 4.38Å; L472-W577 VanDerWaalsContact CD2-O 3.31Å; L472-W577 WeakPolarHBondContact CD2-O 2.89Å; L473-W577 HydrophobicContact CD2-CH2 3.63Å; L473-W577 HydrophobicContact CD2-CZ3 3.62Å; L473-W577 HydrophobicContact CG-CH2 4.46Å; L473-W577 HydrophobicContact CG-CZ3 4.01Å; L476-W577 HydrophobicContact CD1-CH2 4.27Å; L476-W577 HydrophobicContact CD1-CZ3 4.13Å; F539-W577 HydrophobicContact CE1-CD2 4.07Å; F539-W577 AromaticContact CE1-CE2 3.96Å; F539-W577 HydrophobicContact CE1-CE3 4.1Å; F539-W577 AromaticContact CE1-CH2 3.97Å; F539-W577 HydrophobicContact CE1-CH2 3.97Å; F539-W577 AromaticContact CE1-CZ2 3.93Å; F539-W577 HydrophobicContact CE1-CZ2 3.93Å; F539-W577 HydrophobicContact CE1-CZ3 4.04Å; F539-W577 HydrophobicContact CZ-CH2 4.26Å; F539-W577 HydrophobicContact CZ-CZ2 4.41Å; M560-W577 HydrophobicContact CE-CH2 4.25Å; M560-W577 HydrophobicContact CE-CZ2 3.55Å; M560-W577 PolarHBondContact O-NE1 2.72Å; P562-W577 HydrophobicContact CG-CD2 4.3Å; P562-W577 HydrophobicContact CG-CG 4.04Å
578	L	95	Very high	93.2	Very high	6 Å²	6	30.5 Å²	30.5	3%	0.031	17%	0.166	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-159.6	139.2	172.8	-175.8	59.7	0	0	0	108.8	L438 L468 L472 E659 M660 I663 Y664	L438-L578 HydrophobicContact CB-CB 3.94Å; L438-L578 HydrophobicContact CD2-CB 4.15Å; L438-L578 PolarHBondContact N-O 3.19Å; L468-L578 HydrophobicContact CD1-CD2 4.42Å; L472-L578 HydrophobicContact CD1-CB 4.16Å; L578-E659 HydrophobicContact CD1-CG 4.48Å; L578-M660 HydrophobicContact CD1-CB 4.23Å; L578-M660 HydrophobicContact CD1-CG 4.41Å; L578-I663 HydrophobicContact CD1-CD1 3.65Å; L578-I663 HydrophobicContact CD2-CD1 4.15Å; L578-I663 HydrophobicContact CD2-CG2 4.42Å; L578-I663 HydrophobicContact CG-CD1 4.43Å; L578-Y664 HydrophobicContact CD2-CE2 4.47Å
579	T	93.7	Very high	92.9	Very high	49 Å²	49	29.4 Å²	29.4	30%	0.301	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	145.8	169.9	51.1	0	0	0	0	110.1	Q434 Y437 T576	Q434-T579 HydrophobicContact CG-CG2 3.97Å; Y437-T579 HydrophobicContact CD1-CG2 3.9Å; Y437-T579 HydrophobicContact CE1-CG2 4.07Å; T576-T579 HydrophobicContact CG2-CG2 4.44Å
580	T	92.7	Very high	92.7	Very high	10 Å²	10	32.9 Å²	32.9	6%	0.061	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	118	176.2	-65.6	0	0	0	0	108.6	A409 P410 Q434 A435 S436 M660	A409-T580 HydrophobicContact CB-CG2 4.07Å; P410-T580 HydrophobicContact CG-CG2 3.94Å; Q434-T580 CarbonylContact C-O 3.53Å; Q434-T580 WeakPolarHBondContact CB-O 3.46Å; A435-T580 WeakPolarHBondContact CA-O 3.36Å; A435-T580 WeakPolarHBondContact CB-O 3.47Å; A435-T580 PolarHBondContact N-O 3.43Å; S436-T580 PolarHBondContact N-O 2.98Å; S436-T580 PolarHBondContact O-N 2.94Å; S436-T580 WeakPolarHBondContact OG-CB 3.32Å; T580-M660 HydrophobicContact CG2-CE 3.79Å
581	P	93.1	Very high	92.5	Very high	15 Å²	15	29.7 Å²	29.7	10%	0.097	17%	0.172	C	C	.	.			trans	-71.7	177	178.7	31.5	-34.2	0	0	0	111.1	A409 Q434 A435 F656 M660	A409-P581 HydrophobicContact CB-CG 3.67Å; Q434-P581 VanDerWaalsContact OE1-CA 3.3Å; A435-P581 VanDerWaalsContact CB-O 3.22Å; A435-P581 WeakPolarHBondContact CB-O 3.45Å; P581-F656 HydrophobicContact CG-CB 4.49Å; P581-F656 HydrophobicContact CG-CD1 3.62Å; P581-F656 HydrophobicContact CG-CE1 4.34Å; P581-F656 HydrophobicContact CG-CG 4.49Å; P581-M660 WeakPolarHBondContact CD-SD 3.28Å; P581-M660 HydrophobicContact CG-SD 4.2Å
582	G	92.5	Very high	92.1	Very high	3 Å²	3	29.8 Å²	29.8	3%	0.031	18%	0.179	C	C	.	.			trans	-55.3	163.6	175.5	0	0	0	0	0	113.7	V426	V426-G582 WeakPolarHBondContact CG2-O 3.37Å
583	S	94.6	Very high	91.7	Very high	30 Å²	30	34.3 Å²	34.3	21%	0.21	20%	0.197	C	C	.	.			trans	-61.5	155.8	176.8	-37.2	0	0	0	0	110.5	M407 E427	M407-S583 CarbonylContact O-C 3.44Å; M407-S583 WeakPolarHBondContact O-CA 3.37Å; M407-S583 WeakPolarHBondContact O-CB 3.1Å; E427-S583 WeakPolarHBondContact CG-O 3.35Å; E427-S583 PolarHBondContact N-O 3.41Å; E427-S583 VanDerWaalsContact OE2-CA 3.26Å; E427-S583 WeakPolarHBondContact OE2-CA 3.38Å; E427-S583 WeakPolarHBondContact OE2-CB 3.47Å; E427-S583 PolarHBondContact OE2-N 3.04Å; E427-S583 PolarHBondContact OE2-OG 3.48Å
584	A	95.9	Very high	91.1	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	145.8	178	0	0	0	0	0	111.7	M407 A412 P423 A425 V586 F656	M407-A584 PolarHBondContact N-O 3.04Å; M407-A584 PolarHBondContact O-N 2.73Å; M407-A584 VanDerWaalsContact O-O 3.12Å; A412-A584 HydrophobicContact CB-CB 3.76Å; P423-A584 HydrophobicContact CB-CB 4.36Å; A425-A584 CarbonylContact O-C 3.57Å; A425-A584 WeakPolarHBondContact O-CA 3.28Å; A425-A584 WeakPolarHBondContact O-CB 3.29Å; A584-V586 HydrophobicContact CB-CG2 4.41Å; A584-F656 HydrophobicContact CB-CE1 4.24Å; A584-F656 HydrophobicContact CB-CZ 3.85Å
585	V	96.5	Very high	90.7	Very high	1 Å²	1	31 Å²	31	1%	0.006	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	123.7	161.5	-175.4	0	0	0	0	107.4	F357 I404 A405 L406 I424 A425 L603 F632	F357-V585 HydrophobicContact CE2-CG1 4.33Å; F357-V585 HydrophobicContact CZ-CG1 4.3Å; F357-V585 HydrophobicContact CZ-CG2 4.22Å; I404-V585 HydrophobicContact CB-CG1 3.88Å; I404-V585 HydrophobicContact CD1-CG1 3.98Å; I404-V585 HydrophobicContact CG1-CG1 4.41Å; I404-V585 HydrophobicContact CG2-CG1 4.25Å; A405-V585 CarbonylContact O-C 3.56Å; A405-V585 WeakPolarHBondContact O-CA 3.46Å; L406-V585 HydrophobicContact CD1-CG2 4.22Å; I424-V585 HydrophobicContact CD1-CG1 4.12Å; I424-V585 HydrophobicContact CG1-CB 4.22Å; I424-V585 HydrophobicContact CG1-CG1 4.07Å; I424-V585 VanDerWaalsContact CG1-O 3.29Å; I424-V585 WeakPolarHBondContact CG1-O 3.42Å; I424-V585 PolarHBondContact N-O 3.19Å; A425-V585 HydrophobicContact CB-CB 4.34Å; A425-V585 HydrophobicContact CB-CG2 4.5Å; A425-V585 PolarHBondContact N-O 2.85Å; A425-V585 PolarHBondContact O-N 2.02Å; V585-L603 HydrophobicContact CB-CD1 4.13Å; V585-L603 HydrophobicContact CG1-CD1 4.01Å; V585-L603 HydrophobicContact CG2-CD1 4.2Å; V585-F632 HydrophobicContact CG2-CE1 4.3Å
586	V	96.5	Very high	90.3	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	132.7	-175.3	-176.7	0	0	0	0	109	I404 A405 M407 A412 L421 V422 A584	I404-V586 CarbonylContact C-O 3.58Å; I404-V586 WeakPolarHBondContact CA-O 3.26Å; A405-V586 PolarHBondContact N-O 2.87Å; A405-V586 PolarHBondContact O-N 3.47Å; M407-V586 HydrophobicContact CB-CG2 4.17Å; M407-V586 HydrophobicContact CE-CB 4.48Å; M407-V586 HydrophobicContact CG-CG2 4.18Å; M407-V586 HydrophobicContact SD-CB 4.47Å; M407-V586 HydrophobicContact SD-CG2 4.16Å; A412-V586 HydrophobicContact CB-CG2 3.72Å; L421-V586 HydrophobicContact CB-CG1 3.51Å; L421-V586 HydrophobicContact CD1-CG1 4.45Å; V422-V586 WeakPolarHBondContact O-CA 3.26Å; A584-V586 HydrophobicContact CB-CG2 4.41Å
587	A	95.5	Very high	89.8	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	160.5	177.9	0	0	0	0	0	112.4	D403 I404 V422 I424 R596 L599	D403-A587 WeakPolarHBondContact O-CA 3.21Å; I404-A587 HydrophobicContact CG2-CB 4.2Å; V422-A587 PolarHBondContact N-O 3.43Å; V422-A587 PolarHBondContact O-N 3.32Å; I424-A587 HydrophobicContact CD1-CB 4.26Å; I424-A587 HydrophobicContact CG1-CB 4.42Å; I424-A587 HydrophobicContact CG2-CB 3.84Å; A587-R596 HydrophobicContact CB-CG 4.15Å; A587-L599 HydrophobicContact CB-CD1 4.19Å
588	S	90.9	Very high	89.2	Confident	5 Å²	5	35.9 Å²	35.9	4%	0.035	20%	0.195	C	C	.	.			trans	-57	148.7	174.4	-179.6	0	0	0	0	112.2	L397 D400 D403 T590 A591	L397-S588 PolarHBondContact O-OG 3.35Å; D400-S588 PolarHBondContact OD1-OG 3.29Å; D403-S588 PolarHBondContact O-N 2.78Å; S588-T590 VanDerWaalsContact C-N 3.33Å; S588-T590 PolarHBondContact OG-N 2.77Å; S588-T590 PolarHBondContact OG-OG1 2.82Å; S588-A591 WeakPolarHBondContact O-CB 3.37Å; S588-A591 PolarHBondContact O-N 2.51Å
589	K	85.5	Confident	88.8	Confident	131 Å²	131	36 Å²	36	57%	0.57	20%	0.195	S	C	*	.	S	Bend	trans	-66.2	-36.2	173.9	178.4	-178.4	173.5	-176.6	0	111.8	G420 L421 A591 R596	G420-K589 WeakPolarHBondContact O-CB 3.5Å; L421-K589 HydrophobicContact CD2-CB 4.42Å; K589-A591 PolarHBondContact O-N 2.8Å; K589-R596 PolarHBondContact O-NH1 3.42Å
590	T	85.5	Confident	88.6	Confident	87 Å²	87	33.7 Å²	33.7	53%	0.534	18%	0.181	S	C	.	.	S	Bend	trans	-71.8	-20.7	-177.6	62.2	0	0	0	0	112	D400 S588 S592	D400-T590 VanDerWaalsContact CG-OG1 3.24Å; D400-T590 PolarHBondContact OD1-OG1 2.91Å; D400-T590 WeakPolarHBondContact OD2-CG2 3.13Å; D400-T590 PolarHBondContact OD2-OG1 3.37Å; S588-T590 VanDerWaalsContact C-N 3.33Å; S588-T590 PolarHBondContact OG-N 2.77Å; S588-T590 PolarHBondContact OG-OG1 2.82Å; T590-S592 PolarHBondContact O-N 3.42Å
591	A	85	Confident	88.1	Confident	12 Å²	12	33.7 Å²	33.7	10%	0.099	18%	0.181	C	C	.	.	S	Bend	trans	-60.6	121.7	175	0	0	0	0	0	110.2	S588 K589 V595 R596	S588-A591 WeakPolarHBondContact O-CB 3.37Å; S588-A591 PolarHBondContact O-N 2.51Å; K589-A591 PolarHBondContact O-N 2.8Å; A591-V595 HydrophobicContact CB-CB 4.12Å; A591-V595 HydrophobicContact CB-CG1 3.7Å; A591-R596 HydrophobicContact CB-CG 3.81Å; A591-R596 PolarHBondContact O-NH1 3.05Å
592	S	83.8	Confident	87.8	Confident	62 Å²	62	33 Å²	33	43%	0.434	18%	0.176	S	C	.	.			trans	-61.8	164.1	176.5	79.8	0	0	0	0	111.5	T590 A594 V595 R596	T590-S592 PolarHBondContact O-N 3.42Å; S592-A594 PolarHBondContact O-N 2.81Å; S592-A594 PolarHBondContact OG-N 2.79Å; S592-V595 WeakPolarHBondContact O-CB 3.4Å; S592-V595 PolarHBondContact O-N 3.12Å; S592-V595 VanDerWaalsContact O-N 3.09Å; S592-V595 WeakPolarHBondContact OG-CG2 3.03Å; S592-V595 PolarHBondContact OG-N 2.72Å; S592-R596 PolarHBondContact O-N 2.81Å
593	Y	82	Confident	87.6	Confident	103 Å²	103	33 Å²	33	40%	0.404	18%	0.175	S	C	.	.	H	α-helix	trans	-49	-47.4	172.4	175.2	-83.7	0	0	0	112.2	V595 R596 R597 T644	Y593-V595 VanDerWaalsContact C-N 3.32Å; Y593-V595 PolarHBondContact O-N 2.83Å; Y593-R596 PolarHBondContact O-N 3.41Å; Y593-R597 HydrophobicContact CE1-CB 4.39Å; Y593-R597 WeakPolarHBondContact O-CB 3.07Å; Y593-R597 PolarHBondContact O-N 2.84Å; Y593-T644 WeakPolarHBondContact CD2-OG1 3.39Å; Y593-T644 VanDerWaalsContact CE2-C 3.47Å; Y593-T644 WeakPolarHBondContact CE2-O 3.39Å; Y593-T644 WeakPolarHBondContact CE2-OG1 3.4Å; Y593-T644 PolarHBondContact OH-O 2.7Å
594	A	78	Confident	87.3	Confident	62 Å²	62	32.2 Å²	32.2	51%	0.512	17%	0.169	S	C	.	.	H	α-helix	trans	-63.1	-39.7	-179.1	0	0	0	0	0	111.9	S592 R598	S592-A594 PolarHBondContact O-N 2.81Å; S592-A594 PolarHBondContact OG-N 2.79Å; A594-R598 PolarHBondContact O-N 2.72Å
595	V	83.1	Confident	86.6	Confident	41 Å²	41	35 Å²	35	25%	0.248	18%	0.18	C	C	.	.	H	α-helix	trans	-63	-51.9	175.9	172.2	0	0	0	0	110.6	L351 A591 S592 Y593 R597 R598 L599	L351-V595 HydrophobicContact CD2-CB 3.87Å; L351-V595 HydrophobicContact CD2-CG1 3.64Å; L351-V595 HydrophobicContact CD2-CG2 3.61Å; L351-V595 HydrophobicContact CG-CG2 4.44Å; A591-V595 HydrophobicContact CB-CB 4.12Å; A591-V595 HydrophobicContact CB-CG1 3.7Å; S592-V595 WeakPolarHBondContact O-CB 3.4Å; S592-V595 PolarHBondContact O-N 3.12Å; S592-V595 VanDerWaalsContact O-N 3.09Å; S592-V595 WeakPolarHBondContact OG-CG2 3.03Å; S592-V595 PolarHBondContact OG-N 2.72Å; Y593-V595 VanDerWaalsContact C-N 3.32Å; Y593-V595 PolarHBondContact O-N 2.83Å; V595-R597 VanDerWaalsContact C-N 3.34Å; V595-R597 PolarHBondContact O-N 2.67Å; V595-R598 PolarHBondContact O-N 3.41Å; V595-R598 VanDerWaalsContact O-N 3.14Å; V595-L599 HydrophobicContact CG1-CD1 4.08Å; V595-L599 HydrophobicContact CG1-CG 4.49Å; V595-L599 WeakPolarHBondContact O-CG 3.48Å; V595-L599 PolarHBondContact O-N 2.82Å
596	R	87.3	Confident	86.1	Confident	44 Å²	44	35 Å²	35	17%	0.166	18%	0.18	C	C	.	.	H	α-helix	trans	-59.5	-44.8	179.9	-69.7	-172.7	-70.2	-124.2	3.8	111.9	I424 A587 K589 A591 S592 Y593 R598 L599 T600 T644	I424-R596 HydrophobicContact CG2-CB 4.09Å; I424-R596 HydrophobicContact CG2-CG 4.36Å; A587-R596 HydrophobicContact CB-CG 4.15Å; K589-R596 PolarHBondContact O-NH1 3.42Å; A591-R596 HydrophobicContact CB-CG 3.81Å; A591-R596 PolarHBondContact O-NH1 3.05Å; S592-R596 PolarHBondContact O-N 2.81Å; Y593-R596 PolarHBondContact O-N 3.41Å; R596-R598 VanDerWaalsContact C-N 3.32Å; R596-R598 PolarHBondContact O-N 3.32Å; R596-L599 WeakPolarHBondContact O-CB 3.37Å; R596-L599 PolarHBondContact O-N 3.42Å; R596-T600 PolarHBondContact O-N 3.03Å; R596-T600 PolarHBondContact O-OG1 2.87Å; R596-T600 VanDerWaalsContact O-OG1 3.08Å; R596-T644 HydrophobicContact CB-CG2 4.16Å
597	R	83.8	Confident	85.6	Confident	57 Å²	57	35.6 Å²	35.6	22%	0.215	18%	0.183	C	C	.	.	H	α-helix	trans	-55.7	-46.9	174.8	-178.5	178.4	170.2	152.2	-4.7	111.2	D187 Y593 V595 L599 T600 E601 W643	D187-R597 IonicContact OD1-CZ 2.99Å; D187-R597 IonicContact OD1-NH2 3.65Å; D187-R597 PolarHBondContact OD1-NH2 3.42Å; D187-R597 IonicContact OD2-CZ 3.91Å; D187-R597 IonicContact OD2-NH2 2.92Å; D187-R597 PolarHBondContact OD2-NH2 2.91Å; Y593-R597 HydrophobicContact CE1-CB 4.39Å; Y593-R597 WeakPolarHBondContact O-CB 3.07Å; Y593-R597 PolarHBondContact O-N 2.84Å; V595-R597 VanDerWaalsContact C-N 3.34Å; V595-R597 PolarHBondContact O-N 2.67Å; R597-L599 PolarHBondContact O-N 2.78Å; R597-T600 WeakPolarHBondContact O-CB 3.25Å; R597-T600 PolarHBondContact O-N 3.27Å; R597-E601 WeakPolarHBondContact CG-OE1 3.47Å; R597-E601 IonicContact NE-OE1 3.78Å; R597-E601 PolarHBondContact NE-OE1 3.22Å; R597-E601 VanDerWaalsContact NE-OE1 3.16Å; R597-E601 VanDerWaalsContact O-CG 3.27Å; R597-E601 WeakPolarHBondContact O-CG 3.49Å; R597-E601 PolarHBondContact O-N 2.98Å; R597-W643 HydrophobicContact CG-CE3 4.38Å; R597-W643 HydrophobicContact CG-CZ3 4Å
598	R	81.6	Confident	85	Confident	36 Å²	36	40.7 Å²	40.7	14%	0.136	20%	0.202	C	C	.	.	H	α-helix	trans	-67.8	-35	179.7	-171.1	55	162.5	-151.2	-12.5	113.5	R162 L351 A594 V595 R596 T600 E601 M602	R162-R598 PolarHBondContact O-NH1 2.94Å; R162-R598 VanDerWaalsContact O-NH1 3.1Å; R162-R598 PolarHBondContact O-NH2 2.95Å; L351-R598 HydrophobicContact CD1-CB 3.26Å; L351-R598 HydrophobicContact CD1-CG 3.29Å; A594-R598 PolarHBondContact O-N 2.72Å; V595-R598 PolarHBondContact O-N 3.41Å; V595-R598 VanDerWaalsContact O-N 3.14Å; R596-R598 VanDerWaalsContact C-N 3.32Å; R596-R598 PolarHBondContact O-N 3.32Å; R598-T600 VanDerWaalsContact C-N 3.34Å; R598-E601 WeakPolarHBondContact CD-OE2 3.42Å; R598-E601 IonicContact CZ-OE2 3.48Å; R598-E601 IonicContact NE-OE2 2.86Å; R598-E601 IonicContact NH1-OE2 2.88Å; R598-E601 PolarHBondContact NH1-OE2 3.43Å; R598-E601 WeakPolarHBondContact O-CB 3.41Å; R598-E601 PolarHBondContact O-N 2.91Å; R598-M602 WeakPolarHBondContact O-CB 3.47Å; R598-M602 PolarHBondContact O-N 3.46Å
599	L	88.4	Confident	84.4	Confident	7 Å²	7	45.6 Å²	45.6	4%	0.037	22%	0.221	C	C	.	.	H	α-helix	trans	-61.9	-44.1	171.6	-65.8	170.7	0	0	0	110.7	V355 I404 I424 A587 V595 R596 R597 M602 L603	V355-L599 HydrophobicContact CB-CD2 4.3Å; V355-L599 HydrophobicContact CG1-CD2 3.91Å; V355-L599 HydrophobicContact CG2-CD2 3.33Å; I404-L599 HydrophobicContact CG2-CD1 3.83Å; I404-L599 HydrophobicContact CG2-CD2 4.4Å; I424-L599 HydrophobicContact CD1-CB 3.61Å; A587-L599 HydrophobicContact CB-CD1 4.19Å; V595-L599 HydrophobicContact CG1-CD1 4.08Å; V595-L599 HydrophobicContact CG1-CG 4.49Å; V595-L599 WeakPolarHBondContact O-CG 3.48Å; V595-L599 PolarHBondContact O-N 2.82Å; R596-L599 WeakPolarHBondContact O-CB 3.37Å; R596-L599 PolarHBondContact O-N 3.42Å; R597-L599 PolarHBondContact O-N 2.78Å; L599-M602 WeakPolarHBondContact O-CB 3.25Å; L599-M602 PolarHBondContact O-N 3.47Å; L599-L603 WeakPolarHBondContact O-CG 3.3Å; L599-L603 PolarHBondContact O-N 3.02Å
600	T	89.1	Confident	84.1	Confident	1 Å²	1	39.6 Å²	39.6	1%	0.006	19%	0.194	C	C	.	.	H	α-helix	trans	-60.2	-46.9	173.2	-54.2	0	0	0	0	111.6	I424 R596 R597 R598 M602 L603 V604 P641 W643	I424-T600 WeakPolarHBondContact CB-OG1 3.28Å; I424-T600 WeakPolarHBondContact O-CG2 3.13Å; I424-T600 PolarHBondContact O-OG1 3.39Å; R596-T600 PolarHBondContact O-N 3.03Å; R596-T600 PolarHBondContact O-OG1 2.87Å; R596-T600 VanDerWaalsContact O-OG1 3.08Å; R597-T600 WeakPolarHBondContact O-CB 3.25Å; R597-T600 PolarHBondContact O-N 3.27Å; R598-T600 VanDerWaalsContact C-N 3.34Å; T600-M602 VanDerWaalsContact C-N 3.32Å; T600-M602 PolarHBondContact O-N 2.83Å; T600-L603 PolarHBondContact O-N 2.96Å; T600-V604 HydrophobicContact CG2-CG2 4.4Å; T600-V604 WeakPolarHBondContact O-CG2 3.41Å; T600-V604 PolarHBondContact O-N 3.41Å; T600-P641 HydrophobicContact CG2-CB 3.39Å; T600-W643 HydrophobicContact CG2-CD2 4.46Å; T600-W643 HydrophobicContact CG2-CE3 4.06Å; T600-W643 HydrophobicContact CG2-CH2 3.82Å; T600-W643 HydrophobicContact CG2-CZ2 4.27Å; T600-W643 HydrophobicContact CG2-CZ3 3.72Å
601	E	82.1	Confident	83.6	Confident	11 Å²	11	39.5 Å²	39.5	5%	0.051	19%	0.188	C	C	.	.	H	α-helix	trans	-58.7	-42.8	178.1	-73.5	172.1	-167.9	0	0	112.5	L184 R597 R598 V604 Y605 W643	L184-E601 HydrophobicContact CD1-CG 3.57Å; L184-E601 WeakPolarHBondContact CD1-OE1 3.37Å; L184-E601 HydrophobicContact CD2-CG 4.04Å; L184-E601 HydrophobicContact CG-CG 3.65Å; R597-E601 WeakPolarHBondContact CG-OE1 3.47Å; R597-E601 IonicContact NE-OE1 3.78Å; R597-E601 PolarHBondContact NE-OE1 3.22Å; R597-E601 VanDerWaalsContact NE-OE1 3.16Å; R597-E601 VanDerWaalsContact O-CG 3.27Å; R597-E601 WeakPolarHBondContact O-CG 3.49Å; R597-E601 PolarHBondContact O-N 2.98Å; R598-E601 WeakPolarHBondContact CD-OE2 3.42Å; R598-E601 IonicContact CZ-OE2 3.48Å; R598-E601 IonicContact NE-OE2 2.86Å; R598-E601 IonicContact NH1-OE2 2.88Å; R598-E601 PolarHBondContact NH1-OE2 3.43Å; R598-E601 WeakPolarHBondContact O-CB 3.41Å; R598-E601 PolarHBondContact O-N 2.91Å; E601-V604 PolarHBondContact O-N 3.38Å; E601-Y605 WeakPolarHBondContact O-CB 3.47Å; E601-Y605 PolarHBondContact O-N 3.31Å; E601-W643 HydrophobicContact CG-CH2 4.22Å; E601-W643 HydrophobicContact CG-CZ3 4.3Å
602	M	85.9	Confident	82.4	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-48.5	176.1	178.6	-160.5	71.1	0	0	110.8	V355 W373 L378 P380 R598 L599 T600 V604 Y605 A606	V355-M602 HydrophobicContact CG2-SD 4.35Å; W373-M602 HydrophobicContact CE3-SD 4.26Å; W373-M602 HydrophobicContact CH2-CE 3.51Å; W373-M602 HydrophobicContact CH2-CG 4.38Å; W373-M602 HydrophobicContact CH2-SD 4.07Å; W373-M602 HydrophobicContact CZ3-CE 3.49Å; W373-M602 VanDerWaalsContact CZ3-CE 3.49Å; W373-M602 HydrophobicContact CZ3-CG 3.98Å; W373-M602 HydrophobicContact CZ3-SD 3.45Å; W373-M602 WeakPolarHBondContact CZ3-SD 3.37Å; L378-M602 HydrophobicContact CD2-CG 4.48Å; P380-M602 HydrophobicContact CG-SD 3.64Å; R598-M602 WeakPolarHBondContact O-CB 3.47Å; R598-M602 PolarHBondContact O-N 3.46Å; L599-M602 WeakPolarHBondContact O-CB 3.25Å; L599-M602 PolarHBondContact O-N 3.47Å; T600-M602 VanDerWaalsContact C-N 3.32Å; T600-M602 PolarHBondContact O-N 2.83Å; M602-V604 PolarHBondContact O-N 2.96Å; M602-Y605 PolarHBondContact O-N 3.37Å; M602-A606 VanDerWaalsContact O-CB 3.32Å; M602-A606 WeakPolarHBondContact O-CB 3.24Å; M602-A606 PolarHBondContact O-N 3.5Å
603	L	89.7	Confident	81.1	Confident	2 Å²	2	48.9 Å²	48.9	1%	0.01	22%	0.216	C	C	.	.	H	α-helix	trans	-63.3	-41	178.1	-65.6	170	0	0	0	111.9	W373 I424 A425 V585 L599 T600 Q607 L639	W373-L603 HydrophobicContact CH2-CD2 4.09Å; W373-L603 HydrophobicContact CZ2-CD2 4.43Å; I424-L603 HydrophobicContact CD1-CD1 4.03Å; I424-L603 HydrophobicContact CG1-CD1 4.5Å; A425-L603 HydrophobicContact CB-CD1 3.95Å; V585-L603 HydrophobicContact CB-CD1 4.13Å; V585-L603 HydrophobicContact CG1-CD1 4.01Å; V585-L603 HydrophobicContact CG2-CD1 4.2Å; L599-L603 WeakPolarHBondContact O-CG 3.3Å; L599-L603 PolarHBondContact O-N 3.02Å; T600-L603 PolarHBondContact O-N 2.96Å; L603-Q607 PolarHBondContact O-N 3.23Å; L603-Q607 VanDerWaalsContact O-N 3.13Å; L603-L639 HydrophobicContact CB-CD1 4.25Å; L603-L639 HydrophobicContact CD2-CD1 4.38Å
604	V	86.7	Confident	79.6	Confident	14 Å²	14	49.1 Å²	49.1	9%	0.085	22%	0.22	C	C	.	.	H	α-helix	trans	-67.2	-39.8	178.7	171.8	0	0	0	0	112	T600 E601 M602 Q607 R608 P641	T600-V604 HydrophobicContact CG2-CG2 4.4Å; T600-V604 WeakPolarHBondContact O-CG2 3.41Å; T600-V604 PolarHBondContact O-N 3.41Å; E601-V604 PolarHBondContact O-N 3.38Å; M602-V604 PolarHBondContact O-N 2.96Å; V604-Q607 WeakPolarHBondContact O-CG 3.16Å; V604-R608 PolarHBondContact O-N 3.25Å; V604-P641 HydrophobicContact CG2-CB 3.85Å; V604-P641 HydrophobicContact CG2-CG 4.09Å
605	Y	82.6	Confident	78.1	Confident	60 Å²	60	51.6 Å²	51.6	24%	0.235	23%	0.23	C	C	.	.	H	α-helix	trans	-69.7	-43.7	177.4	-172.4	-88.3	0	0	0	111.5	K183 I376 L378 E601 M602 Q607 R608 Y609	K183-Y605 HydrophobicContact CG-CD2 4.41Å; I376-Y605 HydrophobicContact CD1-CE1 4.26Å; L378-Y605 HydrophobicContact CD1-CD1 3.44Å; L378-Y605 VanDerWaalsContact CD1-CD1 3.44Å; L378-Y605 HydrophobicContact CD1-CE1 4Å; L378-Y605 HydrophobicContact CD1-CG 4.2Å; L378-Y605 HydrophobicContact CD2-CD1 4.13Å; L378-Y605 HydrophobicContact CG-CD1 4.34Å; E601-Y605 WeakPolarHBondContact O-CB 3.47Å; E601-Y605 PolarHBondContact O-N 3.31Å; M602-Y605 PolarHBondContact O-N 3.37Å; Y605-Q607 VanDerWaalsContact C-N 3.34Å; Y605-Q607 PolarHBondContact O-N 3.37Å; Y605-R608 PolarHBondContact O-N 2.93Å; Y605-Y609 PolarHBondContact O-N 2.7Å
606	A	84.5	Confident	76.6	Confident	0 Å²	0	56 Å²	56	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-55.2	-46.5	176.8	0	0	0	0	0	112.5	W373 L378 M602 Y609 Y610 M621	W373-A606 HydrophobicContact CD2-CB 4.38Å; W373-A606 HydrophobicContact CZ2-CB 3.66Å; W373-A606 VanDerWaalsContact NE1-CB 3.32Å; L378-A606 HydrophobicContact CD2-CB 3.72Å; M602-A606 VanDerWaalsContact O-CB 3.32Å; M602-A606 WeakPolarHBondContact O-CB 3.24Å; M602-A606 PolarHBondContact O-N 3.5Å; A606-Y609 PolarHBondContact O-N 2.88Å; A606-Y610 PolarHBondContact O-N 2.75Å; A606-M621 HydrophobicContact CB-SD 4.15Å
607	Q	86.5	Confident	75.2	Confident	13 Å²	13	55.5 Å²	55.5	6%	0.061	25%	0.253	C	S	.	.	H	α-helix	trans	-61.1	-48.1	179.2	61.2	179.1	-26	0	0	111.3	L603 V604 Y605 Y609 Y610 E611 M621 F622 L639	L603-Q607 PolarHBondContact O-N 3.23Å; L603-Q607 VanDerWaalsContact O-N 3.13Å; V604-Q607 WeakPolarHBondContact O-CG 3.16Å; Y605-Q607 VanDerWaalsContact C-N 3.34Å; Y605-Q607 PolarHBondContact O-N 3.37Å; Q607-Y609 PolarHBondContact O-N 2.96Å; Q607-Y610 CarbonylContact O-C 3.56Å; Q607-Y610 VanDerWaalsContact O-C 3.3Å; Q607-Y610 PolarHBondContact O-N 3.12Å; Q607-E611 WeakPolarHBondContact O-CG 3.46Å; Q607-E611 PolarHBondContact O-N 2.62Å; Q607-M621 HydrophobicContact CB-CE 3.66Å; Q607-F622 HydrophobicContact CB-CE2 4.13Å; Q607-F622 HydrophobicContact CB-CZ 4.21Å; Q607-L639 PolarHBondContact NE2-O 3.14Å; Q607-L639 PolarHBondContact OE1-O 3.31Å
608	R	82.5	Confident	74.6	Confident	107 Å²	107	56.5 Å²	56.5	40%	0.404	26%	0.259	S	S	.	.	H	α-helix	trans	-54.3	-30.1	-177.6	-74.5	178	176.3	166.2	1.5	114.2	V604 Y605 K614	V604-R608 PolarHBondContact O-N 3.25Å; Y605-R608 PolarHBondContact O-N 2.93Å; R608-K614 PolarHBondContact O-NZ 3.44Å
609	Y	78.8	Confident	74.7	Confident	108 Å²	108	55 Å²	55	42%	0.424	25%	0.253	S	S	.	.	H	α-helix	trans	-85.1	-37.1	178.1	-162.9	-83.8	0	0	0	112.4	I376 Y605 A606 Q607	I376-Y609 HydrophobicContact CD1-CD1 4.07Å; I376-Y609 HydrophobicContact CD1-CD2 4.36Å; I376-Y609 HydrophobicContact CD1-CG 3.87Å; I376-Y609 HydrophobicContact CG2-CD1 3.83Å; I376-Y609 HydrophobicContact CG2-CD2 4.21Å; I376-Y609 HydrophobicContact CG2-CE1 3.37Å; I376-Y609 HydrophobicContact CG2-CE2 3.79Å; I376-Y609 HydrophobicContact CG2-CG 4.22Å; Y605-Y609 PolarHBondContact O-N 2.7Å; A606-Y609 PolarHBondContact O-N 2.88Å; Q607-Y609 PolarHBondContact O-N 2.96Å
610	Y	79.9	Confident	74.5	Confident	4 Å²	4	55.1 Å²	55.1	2%	0.016	26%	0.255	C	S	.	.	S	Bend	trans	-115.5	35.4	-174.3	-61.1	-65.6	0	0	0	113.7	A372 T375 I376 A606 Q607 F619 M621	A372-Y610 VanDerWaalsContact C-OH 3.29Å; A372-Y610 HydrophobicContact CB-CE1 4.02Å; A372-Y610 HydrophobicContact CB-CE2 3.97Å; A372-Y610 PolarHBondContact O-OH 3.37Å; T375-Y610 PolarHBondContact OG1-OH 2.96Å; I376-Y610 HydrophobicContact CD1-CE2 3.69Å; I376-Y610 HydrophobicContact CG1-CE2 4.19Å; I376-Y610 WeakPolarHBondContact CG2-OH 3.37Å; A606-Y610 PolarHBondContact O-N 2.75Å; Q607-Y610 CarbonylContact O-C 3.56Å; Q607-Y610 VanDerWaalsContact O-C 3.3Å; Q607-Y610 PolarHBondContact O-N 3.12Å; Y610-F619 HydrophobicContact CD1-CB 3.87Å; Y610-F619 AromaticContact CD1-CD1 3.77Å; Y610-F619 HydrophobicContact CD1-CD1 3.77Å; Y610-F619 HydrophobicContact CD1-CG 4.33Å; Y610-F619 WeakPolarHBondContact CD1-O 3.16Å; Y610-F619 HydrophobicContact CE1-CB 3.9Å; Y610-F619 HydrophobicContact CE1-CD1 4.2Å; Y610-F619 AromaticContact CG-CD1 3.97Å; Y610-F619 HydrophobicContact CG-CD1 3.97Å; Y610-M621 PolarHBondContact O-N 3Å
611	E	74.1	Confident	74.3	Confident	86 Å²	86	55.2 Å²	55.2	40%	0.402	26%	0.255	S	S	.	.			trans	-65.7	161.4	173	-56.3	-169.4	167.4	0	0	110.7	Q607 K613	Q607-E611 WeakPolarHBondContact O-CG 3.46Å; Q607-E611 PolarHBondContact O-N 2.62Å; E611-K613 PolarHBondContact O-N 2.96Å
612	R	60.6	Low	74.4	Confident	78 Å²	78	54.7 Å²	54.7	29%	0.294	25%	0.253	S	S	.	.	S	Bend	trans	-58.4	-7	-174.2	-77.5	175.1	73.4	-175.7	-6	116	E430 F622 A623	E430-R612 IonicContact OE2-CZ 3.73Å; E430-R612 IonicContact OE2-NH1 2.91Å; E430-R612 PolarHBondContact OE2-NH1 2.93Å; E430-R612 IonicContact OE2-NH2 3.73Å; R612-F622 HydrophobicContact CG-CB 3.92Å; R612-A623 PolarHBondContact NE-O 2.98Å
613	K	55.4	Low	73.9	Confident	193 Å²	193	55 Å²	55	84%	0.839	26%	0.256	S	S	*	.			trans	-145.1	57.5	-159.6	-68.9	-171	176.7	179.7	0	115.7	E611	E611-K613 PolarHBondContact O-N 2.96Å
614	K	51.1	Low	72.8	Confident	108 Å²	108	57.1 Å²	57.1	47%	0.47	27%	0.27	S	S	.	.			trans	-113.8	137	154.8	-62	-179.4	179.7	167.2	0	112	R608 N616 D617	R608-K614 PolarHBondContact O-NZ 3.44Å; K614-N616 PolarHBondContact O-N 3.28Å; K614-D617 VanDerWaalsContact CB-OD1 3.27Å; K614-D617 WeakPolarHBondContact CB-OD1 3Å; K614-D617 PolarHBondContact N-OD1 2.87Å; K614-D617 PolarHBondContact N-OD2 3.01Å; K614-D617 VanDerWaalsContact O-CB 3.3Å; K614-D617 WeakPolarHBondContact O-CB 3.29Å; K614-D617 PolarHBondContact O-N 2.95Å
615	P	45.9	Very low	71.6	Confident	113 Å²	113	68.4 Å²	68.4	73%	0.734	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-17.9	-179	19.1	-30.1	0	0	0	114.3
616	N	51.7	Low	70.5	Confident	134 Å²	134	70.9 Å²	70.9	72%	0.717	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	8.2	179.5	-58.7	-6.2	0	0	0	113.1	K614 K618	K614-N616 PolarHBondContact O-N 3.28Å; N616-K618 PolarHBondContact O-N 3.2Å
617	D	57.8	Low	69.7	Low	33 Å²	33	72 Å²	72	18%	0.176	33%	0.332	C	S	.	.			trans	-53.3	98.5	-166.2	-79	-19.9	0	0	0	112.7	R26 K614 F619	R26-D617 PolarHBondContact NH1-O 3.09Å; K614-D617 VanDerWaalsContact CB-OD1 3.27Å; K614-D617 WeakPolarHBondContact CB-OD1 3Å; K614-D617 PolarHBondContact N-OD1 2.87Å; K614-D617 PolarHBondContact N-OD2 3.01Å; K614-D617 VanDerWaalsContact O-CB 3.3Å; K614-D617 WeakPolarHBondContact O-CB 3.29Å; K614-D617 PolarHBondContact O-N 2.95Å; D617-F619 PolarHBondContact O-N 3.34Å
618	K	71.3	Confident	68.6	Low	78 Å²	78	80.7 Å²	80.7	34%	0.339	37%	0.372	S	S	.	.	S	Bend	trans	-65.9	-21.6	168.9	-71.8	-173.5	164.1	-168	0	111.1	N58 Q59 D77 E80 N616	N58-K618 WeakPolarHBondContact CB-O 3.45Å; Q59-K618 PolarHBondContact N-O 2.97Å; D77-K618 IonicContact OD2-NZ 2.73Å; D77-K618 PolarHBondContact OD2-NZ 3.28Å; E80-K618 WeakPolarHBondContact OE1-CD 3.4Å; E80-K618 WeakPolarHBondContact OE1-CE 3.3Å; E80-K618 IonicContact OE1-NZ 3.84Å; E80-K618 PolarHBondContact OE1-NZ 2.79Å; N616-K618 PolarHBondContact O-N 3.2Å
619	F	83.6	Confident	68	Low	5 Å²	5	77.8 Å²	77.8	2%	0.022	37%	0.372	C	S	.	.			trans	-167.4	154	-179.7	-177.5	-104.1	0	0	0	110.6	I60 K365 I369 A372 Y610 D617	I60-F619 HydrophobicContact CG1-CD2 4.21Å; K365-F619 HydrophobicContact CD-CZ 4.34Å; I369-F619 HydrophobicContact CB-CE1 4.41Å; I369-F619 HydrophobicContact CB-CZ 4.38Å; I369-F619 HydrophobicContact CG1-CE1 3.78Å; I369-F619 HydrophobicContact CG1-CZ 3.66Å; A372-F619 HydrophobicContact CB-CB 4.05Å; A372-F619 HydrophobicContact CB-CD1 3.23Å; A372-F619 HydrophobicContact CB-CD2 4.26Å; A372-F619 HydrophobicContact CB-CE1 3.64Å; A372-F619 HydrophobicContact CB-CG 3.58Å; A372-F619 HydrophobicContact CB-CZ 4.32Å; Y610-F619 HydrophobicContact CD1-CB 3.87Å; Y610-F619 AromaticContact CD1-CD1 3.77Å; Y610-F619 HydrophobicContact CD1-CD1 3.77Å; Y610-F619 HydrophobicContact CD1-CG 4.33Å; Y610-F619 WeakPolarHBondContact CD1-O 3.16Å; Y610-F619 HydrophobicContact CE1-CB 3.9Å; Y610-F619 HydrophobicContact CE1-CD1 4.2Å; Y610-F619 AromaticContact CG-CD1 3.97Å; Y610-F619 HydrophobicContact CG-CD1 3.97Å; D617-F619 PolarHBondContact O-N 3.34Å
620	S	84.3	Confident	68.2	Low	10 Å²	10	73.8 Å²	73.8	7%	0.07	36%	0.358	C	S	.	.			trans	-124.9	132.9	170.2	171.9	0	0	0	0	109.8	K365 F622	K365-S620 WeakPolarHBondContact CE-O 3.5Å; K365-S620 PolarHBondContact NZ-O 2.04Å; S620-F622 PolarHBondContact OG-O 3.03Å
621	M	84.4	Confident	68.6	Low	2 Å²	2	73.7 Å²	73.7	1%	0.01	36%	0.358	C	S	.	.	S	Bend	trans	-72.1	-39.2	178.1	-170.7	175.1	81.1	0	0	111.6	I369 A606 Q607 Y610 F632 L639	I369-M621 HydrophobicContact CD1-CG 3.87Å; I369-M621 HydrophobicContact CG1-CG 4.17Å; A606-M621 HydrophobicContact CB-SD 4.15Å; Q607-M621 HydrophobicContact CB-CE 3.66Å; Y610-M621 PolarHBondContact O-N 3Å; M621-F632 HydrophobicContact CE-CE2 3.99Å; M621-F632 HydrophobicContact CG-CE2 4.14Å; M621-F632 HydrophobicContact SD-CE2 4.31Å; M621-L639 HydrophobicContact CE-CD1 3.99Å; M621-L639 HydrophobicContact CE-CG 4.33Å
622	F	85.3	Confident	69.4	Low	1 Å²	1	69.8 Å²	69.8	0%	0.004	34%	0.34	C	S	.	.	S	Bend	trans	-92	165.9	175.7	-51.9	-67.8	0	0	0	110.9	Q607 R612 S620 S624 F632 T636 V637 R638 L639	Q607-F622 HydrophobicContact CB-CE2 4.13Å; Q607-F622 HydrophobicContact CB-CZ 4.21Å; R612-F622 HydrophobicContact CG-CB 3.92Å; S620-F622 PolarHBondContact OG-O 3.03Å; F622-S624 PolarHBondContact O-N 3.16Å; F622-F632 HydrophobicContact CD1-CB 4.21Å; F622-F632 AromaticContact CD1-CD2 3.73Å; F622-F632 HydrophobicContact CD1-CD2 3.73Å; F622-F632 HydrophobicContact CD1-CG 4.23Å; F622-F632 AromaticContact CE1-CD2 3.73Å; F622-F632 HydrophobicContact CE1-CD2 3.73Å; F622-F632 HydrophobicContact CE1-CE2 4.2Å; F622-F632 HydrophobicContact CE1-CG 4.23Å; F622-T636 WeakPolarHBondContact CB-O 3.26Å; F622-T636 HydrophobicContact CD1-CG2 3.53Å; F622-T636 HydrophobicContact CE1-CG2 3.5Å; F622-T636 VanDerWaalsContact CE1-CG2 3.5Å; F622-T636 HydrophobicContact CG-CG2 4.47Å; F622-T636 HydrophobicContact CZ-CG2 4.41Å; F622-V637 WeakPolarHBondContact CE2-O 3.42Å; F622-R638 VanDerWaalsContact CZ-CA 3.46Å; F622-L639 HydrophobicContact CE1-CD2 4.38Å; F622-L639 HydrophobicContact CE1-CG 4.1Å; F622-L639 HydrophobicContact CZ-CG 4.11Å
623	A	75	Confident	70.6	Confident	7 Å²	7	68 Å²	68	6%	0.058	34%	0.336	C	S	.	.	P	Polyproline II helix	trans	-58	130.4	-178.5	0	0	0	0	0	111.6	R612 T630 K634	R612-A623 PolarHBondContact NE-O 2.98Å; A623-T630 HydrophobicContact CB-CG2 3.5Å; A623-T630 VanDerWaalsContact CB-CG2 3.5Å; A623-K634 HydrophobicContact CB-CB 4.19Å
624	S	66.7	Low	72.1	Confident	46 Å²	46	64.2 Å²	64.2	32%	0.322	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-88.5	162.9	161.1	79.3	0	0	0	0	109.5	F622 M626 E627	F622-S624 PolarHBondContact O-N 3.16Å; S624-M626 PolarHBondContact O-N 2.83Å; S624-E627 PolarHBondContact O-N 3.12Å; S624-E627 WeakPolarHBondContact OG-CG 3.49Å; S624-E627 PolarHBondContact OG-N 2.8Å
625	R	61.4	Low	73.7	Confident	251 Å²	251	60.4 Å²	60.4	95%	0.947	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	-24	178.5	-81.7	-174.6	177	173.8	-0.8	113.7
626	M	59.5	Low	75.7	Confident	112 Å²	112	55 Å²	55	55%	0.552	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-12.1	-175	-64.7	-179.4	62.6	0	0	113.8	D27 L57 S624	D27-M626 HydrophobicContact CB-CE 4.4Å; D27-M626 WeakPolarHBondContact OD2-CE 3.45Å; L57-M626 HydrophobicContact CD2-CB 3.88Å; L57-M626 HydrophobicContact CD2-CE 4.37Å; S624-M626 PolarHBondContact O-N 2.83Å
627	E	66.9	Low	77.4	Confident	23 Å²	23	51 Å²	51	11%	0.107	25%	0.247	C	C	.	.			trans	-89.4	121.8	-175.5	-80.5	178.1	167.7	0	0	111.9	L57 N58 K365 S624	L57-E627 HydrophobicContact CD1-CG 4.06Å; N58-E627 PolarHBondContact ND2-OE1 3.14Å; N58-E627 VanDerWaalsContact ND2-OE1 3.09Å; K365-E627 IonicContact NZ-OE1 3.67Å; K365-E627 PolarHBondContact NZ-OE1 3.28Å; K365-E627 VanDerWaalsContact NZ-OE1 3.14Å; K365-E627 IonicContact NZ-OE2 2.81Å; K365-E627 PolarHBondContact NZ-OE2 3.14Å; S624-E627 PolarHBondContact O-N 3.12Å; S624-E627 WeakPolarHBondContact OG-CG 3.49Å; S624-E627 PolarHBondContact OG-N 2.8Å
628	Q	63.9	Low	79	Confident	195 Å²	195	54.6 Å²	54.6	91%	0.911	26%	0.259	S	S	*	.	S	Bend	trans	-79.2	-35.2	172.5	-65.6	-179.1	-1.9	0	0	112.5	T630	Q628-T630 PolarHBondContact O-N 2.81Å
629	A	69.9	Low	80	Confident	47 Å²	47	51 Å²	51	39%	0.388	24%	0.243	S	C	.	.			trans	-85.2	109	-178.7	0	0	0	0	0	110.5	K365	K365-A629 HydrophobicContact CB-CB 4.31Å; K365-A629 WeakPolarHBondContact CD-O 3.38Å; K365-A629 WeakPolarHBondContact CG-O 3.33Å
630	T	83.4	Confident	80.4	Confident	23 Å²	23	54.4 Å²	54.4	14%	0.141	26%	0.258	C	S	.	.			trans	-111.5	143.6	176.4	66.9	0	0	0	0	109.5	K362 A623 Q628 F632 K634	K362-T630 WeakPolarHBondContact CB-O 3.42Å; K362-T630 WeakPolarHBondContact CD-O 3.48Å; K362-T630 WeakPolarHBondContact CE-O 3.4Å; K362-T630 WeakPolarHBondContact CG-O 3.45Å; A623-T630 HydrophobicContact CB-CG2 3.5Å; A623-T630 VanDerWaalsContact CB-CG2 3.5Å; Q628-T630 PolarHBondContact O-N 2.81Å; T630-F632 WeakPolarHBondContact CB-O 3.49Å; T630-F632 PolarHBondContact OG1-O 3.31Å; T630-K634 HydrophobicContact CG2-CB 4.24Å
631	L	88.6	Confident	80.7	Confident	3 Å²	3	55.5 Å²	55.5	2%	0.016	27%	0.265	C	S	.	.	S	Bend	trans	-85.9	-47.4	167.8	176.9	59.9	0	0	0	109.4	F357 L359 K362 K365 C366 I369 L406	F357-L631 HydrophobicContact CE1-CD2 3.88Å; L359-L631 HydrophobicContact CD1-CD1 3.5Å; L359-L631 VanDerWaalsContact CD1-CD1 3.5Å; L359-L631 HydrophobicContact CD2-CD1 3.7Å; L359-L631 HydrophobicContact CG-CD1 4.25Å; K362-L631 HydrophobicContact CB-CD1 4.38Å; K362-L631 WeakPolarHBondContact CD-O 3.36Å; K362-L631 PolarHBondContact NZ-O 2.88Å; K365-L631 HydrophobicContact CB-CB 4.26Å; K365-L631 HydrophobicContact CG-CB 3.91Å; C366-L631 HydrophobicContact CB-CD1 4.24Å; I369-L631 HydrophobicContact CD1-CB 3.78Å; I369-L631 HydrophobicContact CD1-CD2 3.4Å; I369-L631 VanDerWaalsContact CD1-CD2 3.4Å; I369-L631 HydrophobicContact CD1-CG 4.22Å; L406-L631 HydrophobicContact CD2-CD1 4.33Å; L406-L631 VanDerWaalsContact CD2-O 3.27Å; L406-L631 WeakPolarHBondContact CD2-O 3.42Å
632	F	90.1	Very high	81.1	Confident	4 Å²	4	55.4 Å²	55.4	2%	0.018	26%	0.264	C	S	.	.	S	Bend	trans	-89	175.4	176	-63	-61.3	0	0	0	111	K362 L406 E427 V585 M621 F622 T630 T636 L639	K362-F632 PolarHBondContact NZ-O 3.43Å; L406-F632 HydrophobicContact CD1-CD1 4.18Å; L406-F632 HydrophobicContact CD1-CE1 4.01Å; E427-F632 HydrophobicContact CG-CB 4.47Å; E427-F632 HydrophobicContact CG-CD1 3.88Å; E427-F632 VanDerWaalsContact OE1-C 3.24Å; E427-F632 WeakPolarHBondContact OE1-CA 3.36Å; E427-F632 WeakPolarHBondContact OE1-CB 3.49Å; E427-F632 VanDerWaalsContact OE1-CD1 3.31Å; E427-F632 WeakPolarHBondContact OE1-CD1 3.27Å; V585-F632 HydrophobicContact CG2-CE1 4.3Å; M621-F632 HydrophobicContact CE-CE2 3.99Å; M621-F632 HydrophobicContact CG-CE2 4.14Å; M621-F632 HydrophobicContact SD-CE2 4.31Å; F622-F632 HydrophobicContact CD1-CB 4.21Å; F622-F632 AromaticContact CD1-CD2 3.73Å; F622-F632 HydrophobicContact CD1-CD2 3.73Å; F622-F632 HydrophobicContact CD1-CG 4.23Å; F622-F632 AromaticContact CE1-CD2 3.73Å; F622-F632 HydrophobicContact CE1-CD2 3.73Å; F622-F632 HydrophobicContact CE1-CE2 4.2Å; F622-F632 HydrophobicContact CE1-CG 4.23Å; T630-F632 WeakPolarHBondContact CB-O 3.49Å; T630-F632 PolarHBondContact OG1-O 3.31Å; F632-T636 HydrophobicContact CB-CG2 4.15Å; F632-L639 HydrophobicContact CD1-CD2 4.1Å; F632-L639 HydrophobicContact CE1-CD1 4.22Å; F632-L639 HydrophobicContact CE1-CD2 3.86Å; F632-L639 HydrophobicContact CE2-CD1 4.31Å; F632-L639 HydrophobicContact CZ-CD1 3.79Å; F632-L639 HydrophobicContact CZ-CD2 4.19Å; F632-L639 HydrophobicContact CZ-CG 4.45Å
633	D	87.1	Confident	81	Confident	39 Å²	39	59.7 Å²	59.7	21%	0.209	28%	0.28	C	S	.	.			trans	-56.1	141.6	167.4	-174	-59.2	0	0	0	108.8	E427 L429 R635 T636	E427-D633 PolarHBondContact OE1-N 3.38Å; L429-D633 HydrophobicContact CD2-CB 3.89Å; D633-R635 PolarHBondContact O-N 2.98Å; D633-R635 VanDerWaalsContact O-N 3.12Å; D633-R635 VanDerWaalsContact OD1-CB 3.31Å; D633-R635 WeakPolarHBondContact OD1-CB 3.43Å; D633-R635 IonicContact OD1-CZ 3.35Å; D633-R635 PolarHBondContact OD1-N 3.03Å; D633-R635 IonicContact OD1-NE 2.9Å; D633-R635 PolarHBondContact OD1-NE 3.45Å; D633-R635 IonicContact OD1-NH2 2.82Å; D633-R635 IonicContact OD2-CZ 3.37Å; D633-R635 IonicContact OD2-NE 3.17Å; D633-R635 IonicContact OD2-NH2 3.95Å; D633-R635 PolarHBondContact OD2-NH2 3.36Å; D633-T636 WeakPolarHBondContact CB-OG1 3.24Å; D633-T636 PolarHBondContact N-OG1 2.89Å; D633-T636 WeakPolarHBondContact O-CB 3.25Å; D633-T636 PolarHBondContact O-N 2.84Å; D633-T636 PolarHBondContact O-OG1 2.9Å
634	K	85.5	Confident	80.9	Confident	115 Å²	115	59.7 Å²	59.7	50%	0.5	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-24.5	-179.6	67.9	-177.1	179.6	178.7	0	113.2	D545 A623 T630	D545-K634 WeakPolarHBondContact OD2-CE 3.33Å; D545-K634 IonicContact OD2-NZ 3.91Å; D545-K634 PolarHBondContact OD2-NZ 2.86Å; A623-K634 HydrophobicContact CB-CB 4.19Å; T630-K634 HydrophobicContact CG2-CB 4.24Å
635	R	85.6	Confident	81.4	Confident	27 Å²	27	60 Å²	60	10%	0.102	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-6.2	177.5	-59.5	167.7	-68.5	163.6	-1.7	112.7	L429 E430 D633 V637	L429-R635 CarbonylContact C-O 3.37Å; L429-R635 WeakPolarHBondContact CA-O 3.28Å; L429-R635 HydrophobicContact CB-CB 4.3Å; L429-R635 HydrophobicContact CD2-CB 4.45Å; E430-R635 PolarHBondContact N-O 3.45Å; D633-R635 PolarHBondContact O-N 2.98Å; D633-R635 VanDerWaalsContact O-N 3.12Å; D633-R635 VanDerWaalsContact OD1-CB 3.31Å; D633-R635 WeakPolarHBondContact OD1-CB 3.43Å; D633-R635 IonicContact OD1-CZ 3.35Å; D633-R635 PolarHBondContact OD1-N 3.03Å; D633-R635 IonicContact OD1-NE 2.9Å; D633-R635 PolarHBondContact OD1-NE 3.45Å; D633-R635 IonicContact OD1-NH2 2.82Å; D633-R635 IonicContact OD2-CZ 3.37Å; D633-R635 IonicContact OD2-NE 3.17Å; D633-R635 IonicContact OD2-NH2 3.95Å; D633-R635 PolarHBondContact OD2-NH2 3.36Å; R635-V637 PolarHBondContact O-N 2.93Å
636	T	88.8	Confident	82.1	Confident	0 Å²	0	56.5 Å²	56.5	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	128.5	-179.2	-54.4	0	0	0	0	110.2	E427 I428 F622 F632 D633	E427-T636 HydrophobicContact CB-CG2 4Å; E427-T636 HydrophobicContact CG-CG2 4.05Å; E427-T636 PolarHBondContact OE1-OG1 3.33Å; I428-T636 WeakPolarHBondContact O-CA 3.44Å; F622-T636 WeakPolarHBondContact CB-O 3.26Å; F622-T636 HydrophobicContact CD1-CG2 3.53Å; F622-T636 HydrophobicContact CE1-CG2 3.5Å; F622-T636 VanDerWaalsContact CE1-CG2 3.5Å; F622-T636 HydrophobicContact CG-CG2 4.47Å; F622-T636 HydrophobicContact CZ-CG2 4.41Å; F632-T636 HydrophobicContact CB-CG2 4.15Å; D633-T636 WeakPolarHBondContact CB-OG1 3.24Å; D633-T636 PolarHBondContact N-OG1 2.89Å; D633-T636 WeakPolarHBondContact O-CB 3.25Å; D633-T636 PolarHBondContact O-N 2.84Å; D633-T636 PolarHBondContact O-OG1 2.9Å
637	V	87.4	Confident	83.2	Confident	50 Å²	50	55.8 Å²	55.8	30%	0.303	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	-29.3	177.3	-69.2	0	0	0	0	112.3	I428 E430 F622 R635	I428-V637 HydrophobicContact CG2-CG2 4.26Å; I428-V637 VanDerWaalsContact O-CG2 3.32Å; I428-V637 WeakPolarHBondContact O-CG2 3.46Å; I428-V637 PolarHBondContact O-N 2.85Å; E430-V637 HydrophobicContact CB-CG1 3.8Å; E430-V637 HydrophobicContact CG-CG1 4.16Å; F622-V637 WeakPolarHBondContact CE2-O 3.42Å; R635-V637 PolarHBondContact O-N 2.93Å
638	R	90.6	Very high	84.1	Confident	109 Å²	109	55.7 Å²	55.7	41%	0.411	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.5	165.7	177.9	65.5	-173.7	176.9	83.2	1.8	111.7	I428 F622	I428-R638 HydrophobicContact CB-CG 3.81Å; I428-R638 HydrophobicContact CG1-CG 4.19Å; I428-R638 HydrophobicContact CG2-CG 4.31Å; I428-R638 PolarHBondContact N-O 2.92Å; F622-R638 VanDerWaalsContact CZ-CA 3.46Å
639	L	92.2	Very high	85.1	Confident	3 Å²	3	48 Å²	48	2%	0.016	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125.5	165.6	-63.2	178.2	0	0	0	109.3	A425 V426 E427 L603 Q607 M621 F622 F632	A425-L639 HydrophobicContact CB-CB 4.41Å; V426-L639 CarbonylContact O-C 3.49Å; V426-L639 WeakPolarHBondContact O-CA 3.11Å; E427-L639 HydrophobicContact CG-CD2 3.98Å; L603-L639 HydrophobicContact CB-CD1 4.25Å; L603-L639 HydrophobicContact CD2-CD1 4.38Å; Q607-L639 PolarHBondContact NE2-O 3.14Å; Q607-L639 PolarHBondContact OE1-O 3.31Å; M621-L639 HydrophobicContact CE-CD1 3.99Å; M621-L639 HydrophobicContact CE-CG 4.33Å; F622-L639 HydrophobicContact CE1-CD2 4.38Å; F622-L639 HydrophobicContact CE1-CG 4.1Å; F622-L639 HydrophobicContact CZ-CG 4.11Å; F632-L639 HydrophobicContact CD1-CD2 4.1Å; F632-L639 HydrophobicContact CE1-CD1 4.22Å; F632-L639 HydrophobicContact CE1-CD2 3.86Å; F632-L639 HydrophobicContact CE2-CD1 4.31Å; F632-L639 HydrophobicContact CZ-CD1 3.79Å; F632-L639 HydrophobicContact CZ-CD2 4.19Å; F632-L639 HydrophobicContact CZ-CG 4.45Å
640	K	91.7	Very high	85.9	Confident	75 Å²	75	48.2 Å²	48.2	33%	0.326	25%	0.251	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85	121.7	168.7	178.7	-177.8	177.6	-173.9	0	108.3	A425 V426 I428	A425-K640 CarbonylContact C-O 3.59Å; A425-K640 VanDerWaalsContact CA-O 3.32Å; A425-K640 WeakPolarHBondContact CA-O 3.39Å; V426-K640 HydrophobicContact CG1-CB 3.85Å; V426-K640 HydrophobicContact CG1-CD 4.38Å; V426-K640 HydrophobicContact CG1-CG 4.43Å; V426-K640 PolarHBondContact N-O 3.14Å; V426-K640 PolarHBondContact O-N 3.27Å; I428-K640 HydrophobicContact CD1-CB 3.81Å; I428-K640 HydrophobicContact CD1-CD 4.13Å; I428-K640 HydrophobicContact CG1-CB 3.62Å
641	P	91.6	Very high	86.2	Confident	33 Å²	33	48.5 Å²	48.5	21%	0.214	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	141.5	175.8	28.1	-33.9	0	0	0	110.7	T600 V604 W643	T600-P641 HydrophobicContact CG2-CB 3.39Å; V604-P641 HydrophobicContact CG2-CB 3.85Å; V604-P641 HydrophobicContact CG2-CG 4.09Å; P641-W643 HydrophobicContact CB-CD2 4.32Å; P641-W643 HydrophobicContact CB-CH2 4.46Å; P641-W643 HydrophobicContact CB-CZ2 3.76Å; P641-W643 HydrophobicContact CG-CZ2 3.95Å
642	V	91.3	Very high	86.3	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.006	25%	0.253	C	S	.	.			trans	-110.5	92.4	172.4	-173	0	0	0	0	106.6	P423 I424 V426 T644 Y648 V651 T655	P423-V642 WeakPolarHBondContact O-CB 3.45Å; P423-V642 WeakPolarHBondContact O-CG1 3.4Å; I424-V642 PolarHBondContact O-N 2.66Å; V426-V642 HydrophobicContact CB-CG2 4.49Å; V426-V642 HydrophobicContact CG1-CG2 4.41Å; V642-T644 PolarHBondContact O-N 3.12Å; V642-Y648 HydrophobicContact CG1-CE2 3.94Å; V642-V651 HydrophobicContact CG1-CG1 3.69Å; V642-T655 HydrophobicContact CG2-CG2 3.63Å
643	W	83.2	Confident	86.4	Confident	90 Å²	90	53.2 Å²	53.2	34%	0.341	27%	0.271	S	S	.	.			trans	-71.1	127	-174.9	-62.7	109.2	0	0	0	110.3	L184 R597 T600 E601 P641	L184-W643 HydrophobicContact CD1-CH2 3.72Å; L184-W643 HydrophobicContact CD1-CZ2 4.5Å; L184-W643 HydrophobicContact CD1-CZ3 3.98Å; L184-W643 HydrophobicContact CD2-CH2 3.72Å; L184-W643 HydrophobicContact CD2-CZ2 4.11Å; L184-W643 HydrophobicContact CG-CH2 4.35Å; R597-W643 HydrophobicContact CG-CE3 4.38Å; R597-W643 HydrophobicContact CG-CZ3 4Å; T600-W643 HydrophobicContact CG2-CD2 4.46Å; T600-W643 HydrophobicContact CG2-CE3 4.06Å; T600-W643 HydrophobicContact CG2-CH2 3.82Å; T600-W643 HydrophobicContact CG2-CZ2 4.27Å; T600-W643 HydrophobicContact CG2-CZ3 3.72Å; E601-W643 HydrophobicContact CG-CH2 4.22Å; E601-W643 HydrophobicContact CG-CZ3 4.3Å; P641-W643 HydrophobicContact CB-CD2 4.32Å; P641-W643 HydrophobicContact CB-CH2 4.46Å; P641-W643 HydrophobicContact CB-CZ2 3.76Å; P641-W643 HydrophobicContact CG-CZ2 3.95Å
644	T	74.5	Confident	86.5	Confident	7 Å²	7	55.4 Å²	55.4	4%	0.043	29%	0.289	C	S	.	.			trans	-64.5	141.4	169.8	51	0	0	0	0	109.1	V422 Y593 R596 V642 Y648	V422-T644 HydrophobicContact CG1-CG2 3.95Å; Y593-T644 WeakPolarHBondContact CD2-OG1 3.39Å; Y593-T644 VanDerWaalsContact CE2-C 3.47Å; Y593-T644 WeakPolarHBondContact CE2-O 3.39Å; Y593-T644 WeakPolarHBondContact CE2-OG1 3.4Å; Y593-T644 PolarHBondContact OH-O 2.7Å; R596-T644 HydrophobicContact CB-CG2 4.16Å; V642-T644 PolarHBondContact O-N 3.12Å; T644-Y648 HydrophobicContact CG2-CD2 4.33Å; T644-Y648 HydrophobicContact CG2-CE2 4.1Å
645	S	76.7	Confident	86.7	Confident	52 Å²	52	50.9 Å²	50.9	36%	0.364	27%	0.271	S	S	.	.			trans	-152.6	173.9	176.5	68.7	0	0	0	0	108.6	D647 Y648	S645-D647 PolarHBondContact O-N 3.09Å; S645-D647 PolarHBondContact OG-N 2.94Å; S645-D647 PolarHBondContact OG-O 3.47Å; S645-Y648 PolarHBondContact O-N 2.94Å
646	N	74.9	Confident	87	Confident	179 Å²	179	50 Å²	50	96%	0.957	27%	0.268	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.1	-31.9	174.7	-68.5	-10.9	0	0	0	111.8	Y648	N646-Y648 PolarHBondContact O-N 3.18Å
647	D	84.4	Confident	87.1	Confident	97 Å²	97	51.6 Å²	51.6	52%	0.519	28%	0.284	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.7	55.2	175.4	-174.9	16.1	0	0	0	111.1	S645 G649 S650 V651	S645-D647 PolarHBondContact O-N 3.09Å; S645-D647 PolarHBondContact OG-N 2.94Å; S645-D647 PolarHBondContact OG-O 3.47Å; D647-G649 PolarHBondContact O-N 2.82Å; D647-S650 VanDerWaalsContact CG-CB 3.46Å; D647-S650 PolarHBondContact O-N 3.39Å; D647-S650 PolarHBondContact O-OG 3.04Å; D647-S650 WeakPolarHBondContact OD1-CB 3.23Å; D647-S650 PolarHBondContact OD1-N 3.48Å; D647-S650 PolarHBondContact OD1-OG 3.26Å; D647-S650 WeakPolarHBondContact OD2-CB 3.49Å; D647-S650 PolarHBondContact OD2-OG 3.32Å; D647-V651 PolarHBondContact O-N 2.93Å
648	Y	84.8	Confident	87.3	Confident	21 Å²	21	50.3 Å²	50.3	8%	0.082	28%	0.281	C	S	.	.	H	α-helix	trans	-65.5	-26.1	-177.9	-171.9	-111	0	0	0	112.7	Y416 V422 P423 V642 T644 S645 N646 V651 L652	Y416-Y648 HydrophobicContact CD2-CE1 4.1Å; Y416-Y648 AromaticContact CE2-CD1 3.74Å; Y416-Y648 HydrophobicContact CE2-CD1 3.74Å; Y416-Y648 AromaticContact CE2-CE1 3.66Å; Y416-Y648 HydrophobicContact CE2-CE1 3.66Å; V422-Y648 HydrophobicContact CG1-CE1 3.76Å; V422-Y648 HydrophobicContact CG1-CE2 4.09Å; V422-Y648 VanDerWaalsContact CG1-CZ 3.46Å; V422-Y648 VanDerWaalsContact CG1-OH 3.29Å; V422-Y648 WeakPolarHBondContact CG1-OH 3.46Å; P423-Y648 WeakPolarHBondContact CD-OH 3.31Å; P423-Y648 PolarHBondContact O-OH 3.12Å; V642-Y648 HydrophobicContact CG1-CE2 3.94Å; T644-Y648 HydrophobicContact CG2-CD2 4.33Å; T644-Y648 HydrophobicContact CG2-CE2 4.1Å; S645-Y648 PolarHBondContact O-N 2.94Å; N646-Y648 PolarHBondContact O-N 3.18Å; Y648-V651 HydrophobicContact CD2-CB 4.36Å; Y648-V651 WeakPolarHBondContact O-CB 3.36Å; Y648-V651 PolarHBondContact O-N 3.33Å; Y648-L652 HydrophobicContact CD1-CD1 3.92Å; Y648-L652 HydrophobicContact CD1-CG 4.02Å; Y648-L652 HydrophobicContact CE1-CD1 3.55Å; Y648-L652 HydrophobicContact CE1-CD2 3.85Å; Y648-L652 HydrophobicContact CE1-CG 3.58Å; Y648-L652 WeakPolarHBondContact O-CG 3.38Å; Y648-L652 PolarHBondContact O-N 2.84Å
649	G	85.9	Confident	87.3	Confident	34 Å²	34	49.4 Å²	49.4	35%	0.351	28%	0.281	S	S	.	.	H	α-helix	trans	-60.6	-45.4	174.4	0	0	0	0	0	112.6	D647 V651 L652 R653	D647-G649 PolarHBondContact O-N 2.82Å; G649-V651 VanDerWaalsContact C-N 3.35Å; G649-L652 PolarHBondContact O-N 3.46Å; G649-R653 WeakPolarHBondContact O-CG 3.29Å; G649-R653 PolarHBondContact O-N 2.93Å
650	S	86.8	Confident	87.3	Confident	51 Å²	51	49.5 Å²	49.5	36%	0.357	28%	0.282	S	S	.	.	H	α-helix	trans	-67.2	-37	175.1	75.7	0	0	0	0	112.2	D647 L652 R653 S654	D647-S650 VanDerWaalsContact CG-CB 3.46Å; D647-S650 PolarHBondContact O-N 3.39Å; D647-S650 PolarHBondContact O-OG 3.04Å; D647-S650 WeakPolarHBondContact OD1-CB 3.23Å; D647-S650 PolarHBondContact OD1-N 3.48Å; D647-S650 PolarHBondContact OD1-OG 3.26Å; D647-S650 WeakPolarHBondContact OD2-CB 3.49Å; D647-S650 PolarHBondContact OD2-OG 3.32Å; S650-L652 VanDerWaalsContact C-N 3.34Å; S650-L652 PolarHBondContact O-N 3.48Å; S650-R653 PolarHBondContact O-N 3.46Å; S650-S654 PolarHBondContact O-N 3.28Å; S650-S654 PolarHBondContact O-OG 2.94Å
651	V	88.3	Confident	87.4	Confident	29 Å²	29	46.4 Å²	46.4	18%	0.176	27%	0.269	C	S	.	.	H	α-helix	trans	-59.1	-46.4	174.5	176.5	0	0	0	0	110.4	V642 D647 Y648 G649 S654 T655	V642-V651 HydrophobicContact CG1-CG1 3.69Å; D647-V651 PolarHBondContact O-N 2.93Å; Y648-V651 HydrophobicContact CD2-CB 4.36Å; Y648-V651 WeakPolarHBondContact O-CB 3.36Å; Y648-V651 PolarHBondContact O-N 3.33Å; G649-V651 VanDerWaalsContact C-N 3.35Å; V651-S654 PolarHBondContact O-N 3.12Å; V651-S654 PolarHBondContact O-OG 3.01Å; V651-T655 VanDerWaalsContact O-CB 3.29Å; V651-T655 WeakPolarHBondContact O-CB 3.42Å; V651-T655 PolarHBondContact O-N 3.29Å; V651-T655 PolarHBondContact O-OG1 2.93Å
652	L	90.4	Very high	87.4	Confident	5 Å²	5	46.6 Å²	46.6	3%	0.026	27%	0.268	C	S	.	.	H	α-helix	trans	-61.8	-44.7	175.6	-75	-179.8	0	0	0	112.3	Y416 P423 Y648 G649 S650 S654 T655 F656 I661	Y416-L652 HydrophobicContact CD1-CD1 3.51Å; Y416-L652 HydrophobicContact CD2-CD1 3.97Å; Y416-L652 HydrophobicContact CE1-CD1 3.31Å; Y416-L652 HydrophobicContact CE2-CD1 3.79Å; Y416-L652 HydrophobicContact CG-CD1 3.84Å; Y416-L652 VanDerWaalsContact CZ-CD1 3.45Å; P423-L652 HydrophobicContact CB-CD2 4.16Å; P423-L652 HydrophobicContact CG-CD2 3.93Å; Y648-L652 HydrophobicContact CD1-CD1 3.92Å; Y648-L652 HydrophobicContact CD1-CG 4.02Å; Y648-L652 HydrophobicContact CE1-CD1 3.55Å; Y648-L652 HydrophobicContact CE1-CD2 3.85Å; Y648-L652 HydrophobicContact CE1-CG 3.58Å; Y648-L652 WeakPolarHBondContact O-CG 3.38Å; Y648-L652 PolarHBondContact O-N 2.84Å; G649-L652 PolarHBondContact O-N 3.46Å; S650-L652 VanDerWaalsContact C-N 3.34Å; S650-L652 PolarHBondContact O-N 3.48Å; L652-S654 VanDerWaalsContact C-N 3.32Å; L652-S654 PolarHBondContact O-N 2.9Å; L652-T655 PolarHBondContact O-N 3.25Å; L652-T655 VanDerWaalsContact O-N 3.12Å; L652-F656 HydrophobicContact CD2-CD2 3.83Å; L652-F656 HydrophobicContact CD2-CE2 3.6Å; L652-F656 PolarHBondContact O-N 3.45Å; L652-I661 HydrophobicContact CB-CD1 4.37Å
653	R	92	Very high	87.5	Confident	101 Å²	101	46.6 Å²	46.6	38%	0.381	27%	0.268	S	S	.	.	H	α-helix	trans	-59.7	-41.4	176	-75.2	-179.8	161.8	-86.1	-4.5	112.4	G649 S650 T655 G657 G658 I661 D662	G649-R653 WeakPolarHBondContact O-CG 3.29Å; G649-R653 PolarHBondContact O-N 2.93Å; S650-R653 PolarHBondContact O-N 3.46Å; R653-T655 VanDerWaalsContact C-N 3.3Å; R653-T655 PolarHBondContact O-N 2.98Å; R653-G657 CarbonylContact O-C 3.53Å; R653-G657 WeakPolarHBondContact O-CA 3.48Å; R653-G657 PolarHBondContact O-N 3.23Å; R653-G658 PolarHBondContact NH1-O 3.47Å; R653-G658 PolarHBondContact O-N 3.11Å; R653-G658 VanDerWaalsContact O-N 3.15Å; R653-I661 HydrophobicContact CG-CB 4.41Å; R653-I661 HydrophobicContact CG-CG1 4.29Å; R653-I661 HydrophobicContact CG-CG2 4.45Å; R653-D662 IonicContact CZ-OD1 3.34Å; R653-D662 IonicContact NH1-OD1 2.7Å; R653-D662 PolarHBondContact NH1-OD1 3.14Å; R653-D662 IonicContact NH2-OD1 3.98Å; R653-D662 PolarHBondContact NH2-OD1 3.49Å
654	S	90.6	Very high	87.9	Confident	85 Å²	85	42.5 Å²	42.5	59%	0.594	25%	0.253	S	S	*	.	H	α-helix	trans	-70.9	-26.5	176.9	75.2	0	0	0	0	113	S650 V651 L652	S650-S654 PolarHBondContact O-N 3.28Å; S650-S654 PolarHBondContact O-OG 2.94Å; V651-S654 PolarHBondContact O-N 3.12Å; V651-S654 PolarHBondContact O-OG 3.01Å; L652-S654 VanDerWaalsContact C-N 3.32Å; L652-S654 PolarHBondContact O-N 2.9Å
655	T	89.9	Confident	88.7	Confident	19 Å²	19	45.4 Å²	45.4	12%	0.117	27%	0.266	C	S	.	.	H	α-helix	trans	-85.6	-46.4	-176.7	-61.1	0	0	0	0	111.9	V426 V642 V651 L652 R653	V426-T655 HydrophobicContact CB-CG2 4.22Å; V426-T655 HydrophobicContact CG1-CG2 3.71Å; V642-T655 HydrophobicContact CG2-CG2 3.63Å; V651-T655 VanDerWaalsContact O-CB 3.29Å; V651-T655 WeakPolarHBondContact O-CB 3.42Å; V651-T655 PolarHBondContact O-N 3.29Å; V651-T655 PolarHBondContact O-OG1 2.93Å; L652-T655 PolarHBondContact O-N 3.25Å; L652-T655 VanDerWaalsContact O-N 3.12Å; R653-T655 VanDerWaalsContact C-N 3.3Å; R653-T655 PolarHBondContact O-N 2.98Å
656	F	92.1	Very high	89.4	Confident	9 Å²	9	46.3 Å²	46.3	4%	0.039	26%	0.261	C	S	.	.	H	α-helix	trans	-101.2	-11.3	-174.7	-68	-78.9	0	0	0	113.7	A409 A412 I413 P423 V426 P581 A584 L652 M660 I661	A409-F656 HydrophobicContact CB-CD1 3.79Å; A409-F656 HydrophobicContact CB-CE1 3.76Å; A412-F656 HydrophobicContact CB-CZ 4.5Å; I413-F656 HydrophobicContact CD1-CB 4.03Å; I413-F656 HydrophobicContact CD1-CD1 4.12Å; I413-F656 HydrophobicContact CD1-CG 4.09Å; I413-F656 HydrophobicContact CG1-CD1 4.31Å; I413-F656 HydrophobicContact CG1-CD2 4.48Å; I413-F656 HydrophobicContact CG1-CG 4.19Å; P423-F656 HydrophobicContact CB-CE2 3.96Å; P423-F656 HydrophobicContact CB-CZ 4.03Å; P423-F656 HydrophobicContact CG-CE2 4.13Å; P423-F656 HydrophobicContact CG-CZ 4.3Å; V426-F656 HydrophobicContact CG2-CE1 4.1Å; V426-F656 HydrophobicContact CG2-CZ 4.47Å; P581-F656 HydrophobicContact CG-CB 4.49Å; P581-F656 HydrophobicContact CG-CD1 3.62Å; P581-F656 HydrophobicContact CG-CE1 4.34Å; P581-F656 HydrophobicContact CG-CG 4.49Å; A584-F656 HydrophobicContact CB-CE1 4.24Å; A584-F656 HydrophobicContact CB-CZ 3.85Å; L652-F656 HydrophobicContact CD2-CD2 3.83Å; L652-F656 HydrophobicContact CD2-CE2 3.6Å; L652-F656 PolarHBondContact O-N 3.45Å; F656-M660 HydrophobicContact CB-SD 4.46Å; F656-M660 WeakPolarHBondContact O-CB 3.32Å; F656-I661 HydrophobicContact CB-CD1 4.12Å; F656-I661 HydrophobicContact CB-CG1 4.45Å
657	G	90.6	Very high	90.1	Very high	34 Å²	34	40.4 Å²	40.4	35%	0.351	23%	0.226	S	C	.	.			trans	91.3	127.5	-171.6	0	0	0	0	0	111.4	R653 E659 M660 I661	R653-G657 CarbonylContact O-C 3.53Å; R653-G657 WeakPolarHBondContact O-CA 3.48Å; R653-G657 PolarHBondContact O-N 3.23Å; G657-E659 VanDerWaalsContact C-N 3.27Å; G657-E659 PolarHBondContact O-N 2.98Å; G657-M660 PolarHBondContact O-N 3.33Å; G657-M660 VanDerWaalsContact O-N 3.14Å; G657-I661 PolarHBondContact O-N 2.97Å; G657-I661 VanDerWaalsContact O-N 3.14Å
658	G	90.9	Very high	90.3	Very high	22 Å²	22	36 Å²	36	23%	0.227	20%	0.202	C	C	.	.	H	α-helix	trans	-60.1	-36.7	-178.2	0	0	0	0	0	113.3	R653 I661 D662	R653-G658 PolarHBondContact NH1-O 3.47Å; R653-G658 PolarHBondContact O-N 3.11Å; R653-G658 VanDerWaalsContact O-N 3.15Å; G658-I661 PolarHBondContact O-N 3.07Å; G658-D662 PolarHBondContact O-N 3.35Å
659	E	90.5	Very high	90.4	Very high	91 Å²	91	42.5 Å²	42.5	43%	0.425	23%	0.227	S	C	.	.	H	α-helix	trans	-62.5	-43.8	175.2	177.8	170.5	-144.3	0	0	112.2	L578 G657 I661 D662 I663	L578-E659 HydrophobicContact CD1-CG 4.48Å; G657-E659 VanDerWaalsContact C-N 3.27Å; G657-E659 PolarHBondContact O-N 2.98Å; E659-I661 PolarHBondContact O-N 3.06Å; E659-D662 PolarHBondContact O-N 2.99Å; E659-I663 HydrophobicContact CG-CD1 3.7Å; E659-I663 WeakPolarHBondContact O-CD1 3.31Å; E659-I663 VanDerWaalsContact O-CG1 3.28Å; E659-I663 WeakPolarHBondContact O-CG1 3.29Å; E659-I663 PolarHBondContact O-N 2.95Å
660	M	92.4	Very high	90.3	Very high	4 Å²	4	41.4 Å²	41.4	2%	0.02	21%	0.214	C	C	.	.	H	α-helix	trans	-62.3	-45.1	177.9	-168.6	-176.1	-168.7	0	0	111	A409 P410 I413 L578 T580 P581 F656 G657 D662 I663 Y664	A409-M660 HydrophobicContact CB-CE 4.04Å; P410-M660 HydrophobicContact CG-CE 3.87Å; I413-M660 HydrophobicContact CD1-CE 3.93Å; I413-M660 HydrophobicContact CD1-CG 3.89Å; I413-M660 HydrophobicContact CD1-SD 3.65Å; L578-M660 HydrophobicContact CD1-CB 4.23Å; L578-M660 HydrophobicContact CD1-CG 4.41Å; T580-M660 HydrophobicContact CG2-CE 3.79Å; P581-M660 WeakPolarHBondContact CD-SD 3.28Å; P581-M660 HydrophobicContact CG-SD 4.2Å; F656-M660 HydrophobicContact CB-SD 4.46Å; F656-M660 WeakPolarHBondContact O-CB 3.32Å; G657-M660 PolarHBondContact O-N 3.33Å; G657-M660 VanDerWaalsContact O-N 3.14Å; M660-D662 PolarHBondContact O-N 3.11Å; M660-I663 PolarHBondContact O-N 2.58Å; M660-Y664 HydrophobicContact CE-CD2 4.23Å; M660-Y664 HydrophobicContact CE-CE2 3.65Å; M660-Y664 HydrophobicContact CG-CD2 3.84Å; M660-Y664 HydrophobicContact CG-CE2 3.98Å; M660-Y664 WeakPolarHBondContact O-CD2 3.49Å; M660-Y664 PolarHBondContact O-N 3.01Å
661	I	93.2	Very high	89.7	Confident	10 Å²	10	40.8 Å²	40.8	5%	0.051	22%	0.215	C	C	.	.	H	α-helix	trans	-57.6	-49.2	176.3	-63.3	-63.5	0	0	0	110.8	I413 L652 R653 F656 G657 G658 E659 I663 Y664 E665	I413-I661 HydrophobicContact CD1-CD1 3.95Å; I413-I661 HydrophobicContact CG1-CD1 3.82Å; I413-I661 HydrophobicContact CG2-CD1 3.92Å; L652-I661 HydrophobicContact CB-CD1 4.37Å; R653-I661 HydrophobicContact CG-CB 4.41Å; R653-I661 HydrophobicContact CG-CG1 4.29Å; R653-I661 HydrophobicContact CG-CG2 4.45Å; F656-I661 HydrophobicContact CB-CD1 4.12Å; F656-I661 HydrophobicContact CB-CG1 4.45Å; G657-I661 PolarHBondContact O-N 2.97Å; G657-I661 VanDerWaalsContact O-N 3.14Å; G658-I661 PolarHBondContact O-N 3.07Å; E659-I661 PolarHBondContact O-N 3.06Å; I661-I663 VanDerWaalsContact C-N 3.33Å; I661-I663 PolarHBondContact O-N 2.96Å; I661-Y664 PolarHBondContact O-N 3.05Å; I661-E665 HydrophobicContact CG2-CG 4.3Å; I661-E665 WeakPolarHBondContact O-CB 3.22Å; I661-E665 WeakPolarHBondContact O-CG 3.48Å; I661-E665 PolarHBondContact O-N 3.26Å
662	D	92.2	Very high	88.4	Confident	37 Å²	37	42.2 Å²	42.2	20%	0.198	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-44.6	179.8	-67.1	-15.9	0	0	0	112.5	R475 R653 G658 E659 M660 E665 R666	R475-D662 IonicContact CZ-OD2 3.91Å; R475-D662 VanDerWaalsContact CZ-OD2 3.32Å; R475-D662 VanDerWaalsContact NH1-CB 3.26Å; R475-D662 IonicContact NH1-OD2 3.31Å; R475-D662 PolarHBondContact NH1-OD2 3.48Å; R475-D662 IonicContact NH2-OD2 3.69Å; R475-D662 PolarHBondContact NH2-OD2 3.45Å; R653-D662 IonicContact CZ-OD1 3.34Å; R653-D662 IonicContact NH1-OD1 2.7Å; R653-D662 PolarHBondContact NH1-OD1 3.14Å; R653-D662 IonicContact NH2-OD1 3.98Å; R653-D662 PolarHBondContact NH2-OD1 3.49Å; G658-D662 PolarHBondContact O-N 3.35Å; E659-D662 PolarHBondContact O-N 2.99Å; M660-D662 PolarHBondContact O-N 3.11Å; D662-E665 PolarHBondContact O-N 3.23Å; D662-R666 PolarHBondContact O-N 3.26Å
663	I	92.8	Very high	86.7	Confident	2 Å²	2	44 Å²	44	1%	0.01	25%	0.245	C	C	.	.	H	α-helix	trans	-65.2	-45.3	-178.7	-70.1	162.4	0	0	0	110.4	L468 I471 L472 L578 E659 M660 I661 R666 Y667	L468-I663 HydrophobicContact CD2-CG2 3.55Å; I471-I663 HydrophobicContact CB-CG2 4.47Å; I471-I663 HydrophobicContact CG2-CB 4.34Å; I471-I663 HydrophobicContact CG2-CG1 4.23Å; I471-I663 HydrophobicContact CG2-CG2 4Å; L472-I663 HydrophobicContact CD2-CD1 3.38Å; L472-I663 HydrophobicContact CD2-CG1 4.28Å; L472-I663 HydrophobicContact CG-CD1 3.95Å; L578-I663 HydrophobicContact CD1-CD1 3.65Å; L578-I663 HydrophobicContact CD2-CD1 4.15Å; L578-I663 HydrophobicContact CD2-CG2 4.42Å; L578-I663 HydrophobicContact CG-CD1 4.43Å; E659-I663 HydrophobicContact CG-CD1 3.7Å; E659-I663 WeakPolarHBondContact O-CD1 3.31Å; E659-I663 VanDerWaalsContact O-CG1 3.28Å; E659-I663 WeakPolarHBondContact O-CG1 3.29Å; E659-I663 PolarHBondContact O-N 2.95Å; M660-I663 PolarHBondContact O-N 2.58Å; I661-I663 VanDerWaalsContact C-N 3.33Å; I661-I663 PolarHBondContact O-N 2.96Å; I663-R666 PolarHBondContact O-N 3.41Å; I663-Y667 WeakPolarHBondContact O-CB 3.44Å; I663-Y667 PolarHBondContact O-N 2.87Å
664	Y	92.4	Very high	84.7	Confident	4 Å²	4	42.2 Å²	42.2	2%	0.016	25%	0.252	C	S	.	.	H	α-helix	trans	-72.6	-30.9	179.6	-84.4	-85.2	0	0	0	112.6	P410 I413 E414 L468 L578 M660 I661 Y667 V668	P410-Y664 HydrophobicContact CB-CE1 3.61Å; P410-Y664 HydrophobicContact CB-CE2 4.35Å; P410-Y664 VanDerWaalsContact CB-CZ 3.48Å; P410-Y664 VanDerWaalsContact CB-OH 3.25Å; P410-Y664 WeakPolarHBondContact CB-OH 3.18Å; P410-Y664 HydrophobicContact CG-CE1 4.43Å; P410-Y664 HydrophobicContact CG-CE2 4.41Å; P410-Y664 VanDerWaalsContact CG-OH 3.24Å; P410-Y664 WeakPolarHBondContact CG-OH 3.48Å; I413-Y664 HydrophobicContact CG2-CG 4.31Å; E414-Y664 HydrophobicContact CG-CD1 3.96Å; E414-Y664 HydrophobicContact CG-CE1 4.45Å; L468-Y664 HydrophobicContact CD2-CE1 4.33Å; L468-Y664 HydrophobicContact CD2-CE2 4.2Å; L578-Y664 HydrophobicContact CD2-CE2 4.47Å; M660-Y664 HydrophobicContact CE-CD2 4.23Å; M660-Y664 HydrophobicContact CE-CE2 3.65Å; M660-Y664 HydrophobicContact CG-CD2 3.84Å; M660-Y664 HydrophobicContact CG-CE2 3.98Å; M660-Y664 WeakPolarHBondContact O-CD2 3.49Å; M660-Y664 PolarHBondContact O-N 3.01Å; I661-Y664 PolarHBondContact O-N 3.05Å; Y664-Y667 HydrophobicContact CD1-CD1 4.17Å; Y664-Y667 HydrophobicContact CE1-CD1 4.48Å; Y664-Y667 PolarHBondContact O-N 2.89Å; Y664-V668 WeakPolarHBondContact O-CB 3.32Å; Y664-V668 VanDerWaalsContact O-CG2 3.24Å; Y664-V668 WeakPolarHBondContact O-CG2 3.42Å; Y664-V668 PolarHBondContact O-N 3.49Å
665	E	90.9	Very high	82.5	Confident	68 Å²	68	42.7 Å²	42.7	32%	0.318	25%	0.248	S	C	.	.	H	α-helix	trans	-61	-45.2	168.8	-77.9	-178.6	-176	0	0	111.7	I417 I661 D662 R669	I417-E665 HydrophobicContact CD1-CB 4.41Å; I417-E665 HydrophobicContact CD1-CG 3.71Å; I417-E665 HydrophobicContact CG1-CG 4.35Å; I661-E665 HydrophobicContact CG2-CG 4.3Å; I661-E665 WeakPolarHBondContact O-CB 3.22Å; I661-E665 WeakPolarHBondContact O-CG 3.48Å; I661-E665 PolarHBondContact O-N 3.26Å; D662-E665 PolarHBondContact O-N 3.23Å; E665-R669 WeakPolarHBondContact O-CB 3.43Å; E665-R669 PolarHBondContact O-N 3.32Å
666	R	90.8	Very high	80.3	Confident	70 Å²	70	49.9 Å²	49.9	26%	0.264	28%	0.277	S	S	.	.	H	α-helix	trans	-61.8	-47	174.8	-178.3	58.2	163.7	174.7	-2.2	111.1	I471 E474 D662 I663 R669 C670	I471-R666 HydrophobicContact CD1-CB 4.47Å; I471-R666 HydrophobicContact CD1-CG 4.23Å; I471-R666 HydrophobicContact CG1-CG 4.12Å; I471-R666 HydrophobicContact CG2-CB 4.05Å; I471-R666 HydrophobicContact CG2-CG 3.86Å; E474-R666 VanDerWaalsContact CD-NH2 3.31Å; E474-R666 IonicContact OE1-CZ 3.2Å; E474-R666 IonicContact OE1-NH2 2.89Å; E474-R666 PolarHBondContact OE1-NH2 3.22Å; E474-R666 IonicContact OE2-CZ 2.69Å; E474-R666 VanDerWaalsContact OE2-CZ 3.31Å; E474-R666 IonicContact OE2-NE 3.81Å; E474-R666 PolarHBondContact OE2-NE 3.36Å; E474-R666 IonicContact OE2-NH2 2.77Å; E474-R666 PolarHBondContact OE2-NH2 2.98Å; D662-R666 PolarHBondContact O-N 3.26Å; I663-R666 PolarHBondContact O-N 3.41Å; R666-R669 PolarHBondContact O-N 2.71Å; R666-C670 WeakPolarHBondContact O-CB 3.33Å; R666-C670 PolarHBondContact O-N 3.1Å; R666-C670 PolarHBondContact O-SG 3.44Å
667	Y	90.7	Very high	78.1	Confident	55 Å²	55	52.2 Å²	52.2	22%	0.216	30%	0.298	C	S	.	.	H	α-helix	trans	-57.7	-50.9	177.9	177.4	-107.6	0	0	0	112.2	E414 T467 I471 I663 Y664 C670 G671	E414-Y667 WeakPolarHBondContact OE1-CE1 3.41Å; T467-Y667 HydrophobicContact CG2-CD2 3.55Å; T467-Y667 HydrophobicContact CG2-CE2 3.63Å; I471-Y667 HydrophobicContact CD1-CD2 4.25Å; I471-Y667 HydrophobicContact CD1-CG 4.5Å; I663-Y667 WeakPolarHBondContact O-CB 3.44Å; I663-Y667 PolarHBondContact O-N 2.87Å; Y664-Y667 HydrophobicContact CD1-CD1 4.17Å; Y664-Y667 HydrophobicContact CE1-CD1 4.48Å; Y664-Y667 PolarHBondContact O-N 2.89Å; Y667-C670 PolarHBondContact O-N 2.93Å; Y667-G671 PolarHBondContact O-N 3.24Å; Y667-G671 VanDerWaalsContact O-N 3.11Å
668	V	88.5	Confident	75.9	Confident	5 Å²	5	54.2 Å²	54.2	3%	0.03	30%	0.304	C	S	.	.	H	α-helix	trans	-64	-45.2	179.8	168.6	0	0	0	0	111.5	E414 I417 K418 Y664 C670 G671 C672	E414-V668 HydrophobicContact CB-CG2 4.28Å; E414-V668 HydrophobicContact CG-CG2 3.89Å; I417-V668 HydrophobicContact CB-CG1 4.32Å; I417-V668 HydrophobicContact CD1-CG2 4.34Å; I417-V668 HydrophobicContact CG2-CB 4.14Å; I417-V668 HydrophobicContact CG2-CG1 3.62Å; K418-V668 HydrophobicContact CD-CG1 4.22Å; K418-V668 HydrophobicContact CG-CG1 3.53Å; K418-V668 HydrophobicContact CG-CG2 4.5Å; Y664-V668 WeakPolarHBondContact O-CB 3.32Å; Y664-V668 VanDerWaalsContact O-CG2 3.24Å; Y664-V668 WeakPolarHBondContact O-CG2 3.42Å; Y664-V668 PolarHBondContact O-N 3.49Å; V668-C670 VanDerWaalsContact C-N 3.26Å; V668-C670 PolarHBondContact O-N 3.47Å; V668-G671 PolarHBondContact O-N 3.38Å; V668-C672 PolarHBondContact O-N 3.45Å
669	R	85.5	Confident	73.8	Confident	158 Å²	158	60.6 Å²	60.6	60%	0.596	32%	0.322	S	S	*	.	H	α-helix	trans	-58.8	-40.8	178.8	-169.7	-176.5	-54.2	169.4	6.3	111.5	E665 R666 C672 G673	E665-R669 WeakPolarHBondContact O-CB 3.43Å; E665-R669 PolarHBondContact O-N 3.32Å; R666-R669 PolarHBondContact O-N 2.71Å; R669-C672 PolarHBondContact O-N 2.71Å; R669-G673 PolarHBondContact O-N 3.07Å
670	C	85.1	Confident	71.8	Confident	11 Å²	11	59.1 Å²	59.1	7%	0.074	33%	0.326	C	S	.	.	H	α-helix	trans	-64	-38.5	174.6	-75.1	0	0	0	0	112.9	C484 F486 R666 Y667 V668	C484-C670 HydrophobicContact CB-CB 3.38Å; C484-C670 WeakPolarHBondContact CB-SG 3.11Å; C484-C670 WeakPolarHBondContact SG-CA 3.3Å; C484-C670 WeakPolarHBondContact SG-CB 3.44Å; C484-C670 CovalentContact SG-SG 2.03Å; C484-C670 PolarHBondContact SG-SG 3Å; F486-C670 HydrophobicContact CE2-CB 3.57Å; F486-C670 HydrophobicContact CZ-CB 3.75Å; R666-C670 WeakPolarHBondContact O-CB 3.33Å; R666-C670 PolarHBondContact O-N 3.1Å; R666-C670 PolarHBondContact O-SG 3.44Å; Y667-C670 PolarHBondContact O-N 2.93Å; V668-C670 VanDerWaalsContact C-N 3.26Å; V668-C670 PolarHBondContact O-N 3.47Å
671	G	74.7	Confident	70.1	Confident	38 Å²	38	62.9 Å²	62.9	39%	0.392	35%	0.349	S	S	.	.	H	α-helix	trans	-68.7	-38.8	176.1	0	0	0	0	0	114.2	Y667 V668 G673 A674	Y667-G671 PolarHBondContact O-N 3.24Å; Y667-G671 VanDerWaalsContact O-N 3.11Å; V668-G671 PolarHBondContact O-N 3.38Å; G671-G673 VanDerWaalsContact C-N 3.35Å; G671-G673 PolarHBondContact O-N 3.47Å; G671-A674 PolarHBondContact O-N 2.98Å
672	C	60.7	Low	68.2	Low	58 Å²	58	66.3 Å²	66.3	39%	0.392	37%	0.37	S	S	.	.	H	α-helix	trans	-70.2	-28.9	179.5	-71.4	0	0	0	0	113.3	V668 R669 A674 L675 K676	V668-C672 PolarHBondContact O-N 3.45Å; R669-C672 PolarHBondContact O-N 2.71Å; C672-A674 VanDerWaalsContact C-N 3.33Å; C672-A674 PolarHBondContact O-N 3.08Å; C672-L675 PolarHBondContact O-N 2.89Å; C672-K676 PolarHBondContact O-N 3.29Å
673	G	55.2	Low	66.4	Low	43 Å²	43	68.2 Å²	68.2	44%	0.443	39%	0.386	S	S	.	.	H	α-helix	trans	-63.4	-36.9	176.4	0	0	0	0	0	113.3	R669 G671 L675 K676 A677	R669-G673 PolarHBondContact O-N 3.07Å; G671-G673 VanDerWaalsContact C-N 3.35Å; G671-G673 PolarHBondContact O-N 3.47Å; G673-L675 VanDerWaalsContact C-N 3.34Å; G673-L675 PolarHBondContact O-N 3.37Å; G673-K676 PolarHBondContact O-N 3.38Å; G673-A677 PolarHBondContact O-N 3.1Å
674	A	49.4	Very low	64.6	Low	64 Å²	64	73.6 Å²	73.6	53%	0.529	41%	0.414	S	S	.	.	H	α-helix	trans	-65.8	-35.3	178.5	0	0	0	0	0	112.7	G671 C672 A677 T678	G671-A674 PolarHBondContact O-N 2.98Å; C672-A674 VanDerWaalsContact C-N 3.33Å; C672-A674 PolarHBondContact O-N 3.08Å; A674-A677 PolarHBondContact O-N 3.45Å; A674-T678 PolarHBondContact O-N 3.23Å; A674-T678 PolarHBondContact O-OG1 3.24Å
675	L	44	Very low	62.8	Low	94 Å²	94	78.5 Å²	78.5	49%	0.492	44%	0.44	S	S	.	.	H	α-helix	trans	-71.1	-37.3	177.1	-86.3	146.4	0	0	0	112.8	C672 G673 A677 T678 Y679	C672-L675 PolarHBondContact O-N 2.89Å; G673-L675 VanDerWaalsContact C-N 3.34Å; G673-L675 PolarHBondContact O-N 3.37Å; L675-A677 PolarHBondContact O-N 3.17Å; L675-T678 WeakPolarHBondContact CA-OG1 3.47Å; L675-T678 PolarHBondContact O-N 2.97Å; L675-T678 PolarHBondContact O-OG1 3.34Å; L675-Y679 HydrophobicContact CD2-CD2 4.45Å; L675-Y679 HydrophobicContact CD2-CE2 3.82Å; L675-Y679 VanDerWaalsContact O-CD2 3.23Å; L675-Y679 WeakPolarHBondContact O-CD2 3.03Å; L675-Y679 PolarHBondContact O-N 3.4Å
676	K	44.4	Very low	61	Low	170 Å²	170	79.1 Å²	79.1	74%	0.739	45%	0.451	S	S	*	.	H	α-helix	trans	-62.8	-34.7	175.9	-75.5	-170.3	175.6	-173.2	0	112	C672 G673 A680	C672-K676 PolarHBondContact O-N 3.29Å; G673-K676 PolarHBondContact O-N 3.38Å; K676-A680 WeakPolarHBondContact O-CB 3.05Å; K676-A680 PolarHBondContact O-N 3.37Å; K676-A680 VanDerWaalsContact O-N 3.14Å
677	A	45	Very low	59.3	Low	58 Å²	58	78.7 Å²	78.7	48%	0.479	46%	0.463	S	S	.	.	H	α-helix	trans	-66.6	-41.1	175.9	0	0	0	0	0	112	G673 A674 L675 V681	G673-A677 PolarHBondContact O-N 3.1Å; A674-A677 PolarHBondContact O-N 3.45Å; L675-A677 PolarHBondContact O-N 3.17Å; A677-V681 VanDerWaalsContact O-CG2 3.25Å; A677-V681 WeakPolarHBondContact O-CG2 3.34Å; A677-V681 PolarHBondContact O-N 2.72Å; A677-V681 VanDerWaalsContact O-N 3.16Å
678	T	44.6	Very low	57.8	Low	76 Å²	76	81 Å²	81	47%	0.466	48%	0.478	S	S	.	.	H	α-helix	trans	-72	-40.7	179.3	46.6	0	0	0	0	113.1	A674 L675 A680 V681 V682	A674-T678 PolarHBondContact O-N 3.23Å; A674-T678 PolarHBondContact O-OG1 3.24Å; L675-T678 WeakPolarHBondContact CA-OG1 3.47Å; L675-T678 PolarHBondContact O-N 2.97Å; L675-T678 PolarHBondContact O-OG1 3.34Å; T678-A680 VanDerWaalsContact C-N 3.35Å; T678-A680 PolarHBondContact O-N 3.24Å; T678-V681 PolarHBondContact O-N 2.96Å; T678-V682 WeakPolarHBondContact O-CG2 3.04Å; T678-V682 PolarHBondContact O-N 3.4Å
679	Y	46.9	Very low	56.2	Low	156 Å²	156	83.5 Å²	83.5	61%	0.612	50%	0.499	S	S	*	.	H	α-helix	trans	-65.8	-36.1	175.6	-79.5	-71.7	0	0	0	113	L675 V681 V682 S683	L675-Y679 HydrophobicContact CD2-CD2 4.45Å; L675-Y679 HydrophobicContact CD2-CE2 3.82Å; L675-Y679 VanDerWaalsContact O-CD2 3.23Å; L675-Y679 WeakPolarHBondContact O-CD2 3.03Å; L675-Y679 PolarHBondContact O-N 3.4Å; Y679-V681 VanDerWaalsContact C-N 3.35Å; Y679-V682 PolarHBondContact O-N 2.9Å; Y679-S683 WeakPolarHBondContact O-CB 3.41Å; Y679-S683 PolarHBondContact O-N 2.78Å; Y679-S683 PolarHBondContact O-OG 3.18Å
680	A	49.3	Very low	54.7	Low	61 Å²	61	79 Å²	79	50%	0.504	50%	0.496	S	S	.	.	H	α-helix	trans	-62.7	-43.3	173.6	0	0	0	0	0	111.1	K676 T678 S683 L684	K676-A680 WeakPolarHBondContact O-CB 3.05Å; K676-A680 PolarHBondContact O-N 3.37Å; K676-A680 VanDerWaalsContact O-N 3.14Å; T678-A680 VanDerWaalsContact C-N 3.35Å; T678-A680 PolarHBondContact O-N 3.24Å; A680-S683 PolarHBondContact O-N 2.8Å; A680-L684 WeakPolarHBondContact O-CB 3.16Å; A680-L684 PolarHBondContact O-N 3.33Å
681	V	54.9	Low	53.1	Low	83 Å²	83	81.3 Å²	81.3	50%	0.503	52%	0.516	S	S	.	.	H	α-helix	trans	-66	-42.7	177.8	173.5	0	0	0	0	111.8	A677 T678 Y679 L684 L685	A677-V681 VanDerWaalsContact O-CG2 3.25Å; A677-V681 WeakPolarHBondContact O-CG2 3.34Å; A677-V681 PolarHBondContact O-N 2.72Å; A677-V681 VanDerWaalsContact O-N 3.16Å; T678-V681 PolarHBondContact O-N 2.96Å; Y679-V681 VanDerWaalsContact C-N 3.35Å; V681-L684 PolarHBondContact O-N 3.44Å; V681-L685 HydrophobicContact CG1-CD1 3.92Å; V681-L685 HydrophobicContact CG1-CG 4.45Å; V681-L685 WeakPolarHBondContact O-CB 3.44Å; V681-L685 VanDerWaalsContact O-CG 3.31Å; V681-L685 WeakPolarHBondContact O-CG 3.43Å; V681-L685 PolarHBondContact O-N 2.66Å
682	V	53.9	Low	52.1	Low	81 Å²	81	88.1 Å²	88.1	49%	0.491	54%	0.535	S	S	.	.	H	α-helix	trans	-66.2	-41.6	177.4	175	0	0	0	0	111.2	T678 Y679 L684 L685 C686	T678-V682 WeakPolarHBondContact O-CG2 3.04Å; T678-V682 PolarHBondContact O-N 3.4Å; Y679-V682 PolarHBondContact O-N 2.9Å; V682-L684 VanDerWaalsContact C-N 3.32Å; V682-L684 PolarHBondContact O-N 3.18Å; V682-L685 PolarHBondContact O-N 3.07Å; V682-C686 WeakPolarHBondContact O-CB 3.38Å; V682-C686 PolarHBondContact O-N 3.4Å; V682-C686 PolarHBondContact O-SG 3.3Å
683	S	54.2	Low	51.6	Low	78 Å²	78	94.7 Å²	94.7	55%	0.545	56%	0.557	S	S	.	*	H	α-helix	trans	-64.3	-38.9	176.4	-54.9	0	0	0	0	111.5	Y679 A680 C686 A687	Y679-S683 WeakPolarHBondContact O-CB 3.41Å; Y679-S683 PolarHBondContact O-N 2.78Å; Y679-S683 PolarHBondContact O-OG 3.18Å; A680-S683 PolarHBondContact O-N 2.8Å; S683-C686 PolarHBondContact O-N 3.25Å; S683-A687 WeakPolarHBondContact O-CB 3.19Å; S683-A687 PolarHBondContact O-N 2.96Å
684	L	55.6	Low	51	Low	115 Å²	115	100.8 Å²	100.8	60%	0.602	59%	0.586	S	S	*	*	H	α-helix	trans	-65.6	-41.8	175.1	-149.3	88.2	0	0	0	111.7	A680 V681 V682 A687 L688	A680-L684 WeakPolarHBondContact O-CB 3.16Å; A680-L684 PolarHBondContact O-N 3.33Å; V681-L684 PolarHBondContact O-N 3.44Å; V682-L684 VanDerWaalsContact C-N 3.32Å; V682-L684 PolarHBondContact O-N 3.18Å; L684-A687 PolarHBondContact O-N 3.2Å; L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 VanDerWaalsContact O-CG 3.29Å; L684-L688 WeakPolarHBondContact O-CG 3.17Å; L684-L688 PolarHBondContact O-N 2.96Å
685	L	55.2	Low	51	Low	106 Å²	106	102.7 Å²	102.7	56%	0.555	59%	0.589	S	S	*	*	H	α-helix	trans	-66.5	-39.3	176.2	-75.1	168.2	0	0	0	112.1	V681 V682 L688 A689	V681-L685 HydrophobicContact CG1-CD1 3.92Å; V681-L685 HydrophobicContact CG1-CG 4.45Å; V681-L685 WeakPolarHBondContact O-CB 3.44Å; V681-L685 VanDerWaalsContact O-CG 3.31Å; V681-L685 WeakPolarHBondContact O-CG 3.43Å; V681-L685 PolarHBondContact O-N 2.66Å; V682-L685 PolarHBondContact O-N 3.07Å; L685-L688 PolarHBondContact O-N 3.44Å; L685-A689 WeakPolarHBondContact O-CB 3.44Å; L685-A689 PolarHBondContact O-N 3.12Å
686	C	53	Low	51.4	Low	81 Å²	81	103.1 Å²	103.1	55%	0.547	59%	0.594	S	S	.	*	H	α-helix	trans	-64.6	-40.5	172.8	-75.7	0	0	0	0	111.8	V682 S683 A689 A690	V682-C686 WeakPolarHBondContact O-CB 3.38Å; V682-C686 PolarHBondContact O-N 3.4Å; V682-C686 PolarHBondContact O-SG 3.3Å; S683-C686 PolarHBondContact O-N 3.25Å; C686-A689 PolarHBondContact O-N 3.25Å; C686-A690 WeakPolarHBondContact O-CB 3.31Å; C686-A690 PolarHBondContact O-N 2.8Å
687	A	55.1	Low	51.8	Low	61 Å²	61	99.4 Å²	99.4	50%	0.504	59%	0.586	S	S	.	*	H	α-helix	trans	-65.3	-40.9	176	0	0	0	0	0	111.8	S683 L684 A689 A690 A691	S683-A687 WeakPolarHBondContact O-CB 3.19Å; S683-A687 PolarHBondContact O-N 2.96Å; L684-A687 PolarHBondContact O-N 3.2Å; A687-A689 VanDerWaalsContact C-N 3.34Å; A687-A690 PolarHBondContact O-N 3.18Å; A687-A691 WeakPolarHBondContact O-CB 3.3Å; A687-A691 PolarHBondContact O-N 3.25Å
688	L	59.1	Low	52.2	Low	104 Å²	104	101.8 Å²	101.8	55%	0.545	59%	0.592	S	S	.	*	H	α-helix	trans	-67.4	-32.2	175.5	-74.6	165.9	0	0	0	112.8	L684 L685 K692	L684-L688 WeakPolarHBondContact O-CB 3.49Å; L684-L688 VanDerWaalsContact O-CG 3.29Å; L684-L688 WeakPolarHBondContact O-CG 3.17Å; L684-L688 PolarHBondContact O-N 2.96Å; L685-L688 PolarHBondContact O-N 3.44Å; L688-K692 PolarHBondContact O-N 3.26Å
689	A	55.3	Low	52.7	Low	57 Å²	57	103.4 Å²	103.4	47%	0.471	60%	0.6	S	S	.	*	H	α-helix	trans	-72.4	-39.5	174.1	0	0	0	0	0	111.5	L685 C686 A687 K692	L685-A689 WeakPolarHBondContact O-CB 3.44Å; L685-A689 PolarHBondContact O-N 3.12Å; C686-A689 PolarHBondContact O-N 3.25Å; A687-A689 VanDerWaalsContact C-N 3.34Å; A689-K692 PolarHBondContact O-N 3.16Å
690	A	52.3	Low	53.1	Low	63 Å²	63	99.9 Å²	99.9	52%	0.521	60%	0.599	S	S	.	*	H	α-helix	trans	-64.5	-40.3	175.5	0	0	0	0	0	112	C686 A687 K692 F693	C686-A690 WeakPolarHBondContact O-CB 3.31Å; C686-A690 PolarHBondContact O-N 2.8Å; A687-A690 PolarHBondContact O-N 3.18Å; A690-K692 PolarHBondContact O-N 3.03Å; A690-F693 PolarHBondContact O-N 3.41Å; A690-F693 VanDerWaalsContact O-N 3.14Å
691	A	53	Low	53.3	Low	61 Å²	61	102.7 Å²	102.7	50%	0.504	61%	0.606	S	S	.	*	T	Hydrogen-bonded Turn	trans	-68.3	-10.6	176	0	0	0	0	0	114.4	A687	A687-A691 WeakPolarHBondContact O-CB 3.3Å; A687-A691 PolarHBondContact O-N 3.25Å
692	K	53.7	Low	53.2	Low	181 Å²	181	104.2 Å²	104.2	79%	0.787	61%	0.614	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.7	-7.1	172.7	-86	-172.7	174.4	-174.4	0	113.9	L688 A689 A690	L688-K692 PolarHBondContact O-N 3.26Å; A689-K692 PolarHBondContact O-N 3.16Å; A690-K692 PolarHBondContact O-N 3.03Å
693	F	48.9	Very low	53.1	Low	196 Å²	196	106.2 Å²	106.2	86%	0.86	62%	0.624	S	S	*	*			trans	-113.8	9.8	177.5	-82.6	-80	0	0	0	113.5	A690	A690-F693 PolarHBondContact O-N 3.41Å; A690-F693 VanDerWaalsContact O-N 3.14Å
694	T	42.3	Very low	53	Low	171 Å²	171	108.7 Å²	108.7	100%	1.049	63%	0.631	S	S	*	*			trans	-108.2	0	160.7	53.1	0	0	0	0	108.2

Retrieved 694 of 694 residues in 356.6 ms (Link to these results)

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