A0A077ZCT9_TRITR Loading...

Calcium-transporting ATPase

Catalyzes the hydrolysis of ATP coupled with the transport of calcium.

AlphaFold DB , UniProt , Accession A0A077ZCT9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 918 aa.

						>A0A077ZCT9_TRITR|A0A077ZCT9
MGIKYQRICELSRYSLLHCVLTIVGDKIPADMRIIQIFSTTLRIDQAILTGESVSVIKHIDIIPDPRAVNQDKKNLLFSGTNVASGRARCIVIGTGLNTEIGKIRTEMVETETERTPLQQKLDEFGEQLSKVISIICVAVWAINIGHFSDPAHGGSWIRGAIYYFKIAVALAVAAIPEGLPAVITTCLALGTRRMAKKNAIVRSLPSVETLGCTSVICSDKTGTLTTNQMSVSKMFIVDNRGSVSNREDPDLLQLEVTGSTYEPVGQVTIDGRPIRCSDYEALVELATISAMCNDSTVDYNEAKRIYEKVGEATETALSVLVEKMNVYNTEKQGLNPKELGCVSNHVMQSLWNKVFTLEFSRNRKSMSVYCMPTKDKGEVGAKMFVKGAPEGILNRCTHVRVGADKIPMNPRLQKKIIDMVQRYGGGKDTLRCLALGTIDSPLDPKAMNLEDSSKFSTYEENITLVGVVGMLDPPRQEVRQSIEECNKAGIRVIMITGDNKNTAEAIGRRIGLFEENEDTQDLSFTGREFDDLSPEQQSLACRRARLFARVEPAHKSKIVEFLQSHGEITAMTGDGVNDAPALKKAEIGIAMGSGTAVAKSAAEMVLADDNFSTIVCAVEEGRAIYSNMKQFIRYLISSNIGEVVSIFLTAAMGIPEVLIPVQLLWVNLVTDGLPATALGFNPPDLDIMDRLPRSPNESLISKWLFFRYIAIGVYVGAATVGSAIWWYMFYEDGPQLTYYQVTHWMRCEIEPEKFHDIDCSAFEDTHPNAMALSVLVTIEMLNALNSLSENQSLFAMPPWWNIWLVAAIALSMTLHFVILYVNILGTIFQIQPLSFTEWMAVLKISLPVIIIDETLKFIARNWIEGNKSHRSRWFTAECLMFALTWFVLVLAMLYARLPSQLLRLLVFLTGHENKHDL
					

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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	35.7	Very low	42.3	Very low	242 Å²	242	141.7 Å²	141.7	100%	1.192	71%	0.709	S	S	*	*				0	101.2	0	-79.1	174	172.2	0	0	108.3	I3	M1-I3 PolarHBondContact O-N 3.03Å
2	G	31	Very low	43.7	Very low	85 Å²	85	139.1 Å²	139.1	88%	0.876	71%	0.714	S	S	*	*			trans	-77	107.7	-176.9	0	0	0	0	0	111.2	K4	G2-K4 PolarHBondContact O-N 3.23Å
3	I	35.2	Very low	45.4	Very low	120 Å²	120	140.3 Å²	140.3	62%	0.615	70%	0.704	S	S	*	*			trans	-74.6	104	173.7	-60.5	172.9	0	0	0	107.3	M1 Y5 C19	M1-I3 PolarHBondContact O-N 3.03Å; I3-Y5 PolarHBondContact O-N 3.27Å; I3-C19 HydrophobicContact CG2-CB 4.43Å
4	K	35.4	Very low	46.9	Very low	189 Å²	189	132.9 Å²	132.9	82%	0.822	66%	0.664	S	S	*	*			trans	-68.2	116	171.2	-89.6	-177.1	174.9	179.1	0	108.9	G2 Q6	G2-K4 PolarHBondContact O-N 3.23Å; K4-Q6 PolarHBondContact O-N 3.32Å
5	Y	39.8	Very low	48.8	Very low	182 Å²	182	127.8 Å²	127.8	71%	0.714	65%	0.647	S	S	*	*			trans	-74.5	112	167.8	-77.9	-92.6	0	0	0	108.8	I3 R89	I3-Y5 PolarHBondContact O-N 3.27Å; Y5-R89 PolarHBondContact OH-NH2 3.06Å
6	Q	41	Very low	50.5	Low	131 Å²	131	126.3 Å²	126.3	61%	0.612	64%	0.64	S	S	*	*			trans	-119.9	120.5	173.5	-141.9	166.4	-12	0	0	108.6	K4	K4-Q6 PolarHBondContact O-N 3.32Å
7	R	45.6	Very low	52.1	Low	231 Å²	231	126.6 Å²	126.6	87%	0.872	64%	0.643	S	S	*	*			trans	-62	150.2	167.6	-85.1	-175.4	177	-175.8	-0.9	109	C9	R7-C9 VanDerWaalsContact C-N 3.29Å; R7-C9 PolarHBondContact O-N 2.94Å
8	I	52.2	Low	53.9	Low	53 Å²	53	124.6 Å²	124.6	27%	0.272	63%	0.63	S	S	.	*	S	Bend	trans	-61.6	80.4	-176.5	-54.6	164.2	0	0	0	110.3	D26	I8-D26 HydrophobicContact CD1-CB 4.05Å; I8-D26 WeakPolarHBondContact CD1-OD2 3.46Å
9	C	41	Very low	55.6	Low	115 Å²	115	120.5 Å²	120.5	78%	0.777	61%	0.614	S	S	*	*			trans	-120	-15	177.4	-75.7	0	0	0	0	114.3	R7	R7-C9 VanDerWaalsContact C-N 3.29Å; R7-C9 PolarHBondContact O-N 2.94Å
10	E	53.4	Low	57.2	Low	94 Å²	94	114.8 Å²	114.8	44%	0.439	59%	0.585	S	S	.	*			trans	-142.4	104.3	172.5	-75	-176.2	-172.8	0	0	111.4	S12 R13	E10-S12 PolarHBondContact O-N 2.76Å; E10-R13 PolarHBondContact O-N 3.02Å; E10-R13 IonicContact OE1-NH2 3.75Å; E10-R13 IonicContact OE2-CZ 3.27Å; E10-R13 IonicContact OE2-NE 3.55Å; E10-R13 PolarHBondContact OE2-NE 2.78Å; E10-R13 IonicContact OE2-NH2 2.56Å; E10-R13 PolarHBondContact OE2-NH2 3Å
11	L	55.2	Low	58.8	Low	117 Å²	117	112.3 Å²	112.3	61%	0.613	57%	0.573	S	S	*	*	G	3₁₀ helix	trans	-59.7	-24.7	-177.6	-82.5	156.6	0	0	0	114.2	Y14 P29	L11-Y14 WeakPolarHBondContact O-CD2 3.37Å; L11-P29 HydrophobicContact CD2-CB 3.3Å
12	S	58.7	Low	61.4	Low	110 Å²	110	100.8 Å²	100.8	77%	0.769	52%	0.516	S	S	*	.	G	3₁₀ helix	trans	-82.3	-7.8	-175	58.6	0	0	0	0	115.2	E10	E10-S12 PolarHBondContact O-N 2.76Å
13	R	66.1	Low	64.3	Low	155 Å²	155	100.4 Å²	100.4	59%	0.585	49%	0.493	S	S	*	.	G	3₁₀ helix	trans	-98.2	3	-175.4	-67.2	-161.3	-159.3	-167.7	10.7	115.5	E10 S15	E10-R13 PolarHBondContact O-N 3.02Å; E10-R13 IonicContact OE1-NH2 3.75Å; E10-R13 IonicContact OE2-CZ 3.27Å; E10-R13 IonicContact OE2-NE 3.55Å; E10-R13 PolarHBondContact OE2-NE 2.78Å; E10-R13 IonicContact OE2-NH2 2.56Å; E10-R13 PolarHBondContact OE2-NH2 3Å; R13-S15 PolarHBondContact O-N 3.28Å
14	Y	66.5	Low	67	Low	36 Å²	36	98.9 Å²	98.9	14%	0.141	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-76	120	-179.5	-67.1	-74.9	0	0	0	110.8	L11 V20 P29	L11-Y14 WeakPolarHBondContact O-CD2 3.37Å; Y14-V20 HydrophobicContact CD1-CG2 3.8Å; Y14-V20 HydrophobicContact CE1-CG1 4.36Å; Y14-V20 HydrophobicContact CE1-CG2 3.63Å; Y14-P29 HydrophobicContact CD2-CB 3.95Å; Y14-P29 HydrophobicContact CD2-CG 4.36Å; Y14-P29 HydrophobicContact CE2-CB 3.81Å; Y14-P29 HydrophobicContact CE2-CG 4.11Å
15	S	74.5	Confident	69.5	Low	57 Å²	57	92.9 Å²	92.9	40%	0.399	48%	0.481	S	S	.	.	P	Polyproline II helix	trans	-99.2	161.3	169.5	50	0	0	0	0	110.5	R13 H18	R13-S15 PolarHBondContact O-N 3.28Å; S15-H18 WeakPolarHBondContact O-CB 3.33Å; S15-H18 PolarHBondContact O-N 3.09Å; S15-H18 PolarHBondContact OG-CE1 3.03Å; S15-H18 PolarHBondContact OG-ND1 3.41Å
16	L	76.7	Confident	71.8	Confident	103 Å²	103	85.8 Å²	85.8	54%	0.539	46%	0.456	S	S	.	.	T	Hydrogen-bonded Turn	trans	-52.3	145.8	170.5	-70.5	169.5	0	0	0	110.6	H18 I93	L16-H18 PolarHBondContact O-N 3.27Å; L16-I93 WeakPolarHBondContact CD2-O 3.47Å
17	L	77.8	Confident	74.2	Confident	132 Å²	132	85.9 Å²	85.9	69%	0.691	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.4	4.3	180	-54.8	166.5	0	0	0	115.7	I91 V92	L17-I91 HydrophobicContact CB-CD1 4.24Å; L17-I91 HydrophobicContact CD2-CD1 3.81Å; L17-I91 HydrophobicContact CD2-CG1 4.42Å; L17-V92 PolarHBondContact N-O 2.96Å
18	H	84.2	Confident	76.5	Confident	90 Å²	90	75 Å²	75	42%	0.417	41%	0.413	S	S	.	.			trans	-66	137.5	168.4	-94.9	179.7	0	0	0	111.5	S15 L16 I91 V92	S15-H18 WeakPolarHBondContact O-CB 3.33Å; S15-H18 PolarHBondContact O-N 3.09Å; S15-H18 PolarHBondContact OG-CE1 3.03Å; S15-H18 PolarHBondContact OG-ND1 3.41Å; L16-H18 PolarHBondContact O-N 3.27Å; H18-I91 WeakPolarHBondContact O-CA 3.49Å; H18-V92 HydrophobicContact CB-CG2 4.33Å; H18-V92 WeakPolarHBondContact O-CG2 3.33Å; H18-V92 PolarHBondContact O-N 3.38Å
19	C	86.1	Confident	78.4	Confident	48 Å²	48	73.2 Å²	73.2	32%	0.324	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	124.5	175.8	-163.1	0	0	0	0	109.9	I3 R89 C90	I3-C19 HydrophobicContact CG2-CB 4.43Å; C19-R89 VanDerWaalsContact SG-CD 3.58Å; C19-R89 WeakPolarHBondContact SG-CG 3.41Å; C19-C90 CarbonylContact C-O 3.56Å; C19-C90 VanDerWaalsContact CA-O 3.31Å; C19-C90 WeakPolarHBondContact CA-O 3.24Å; C19-C90 PolarHBondContact SG-O 2.87Å; C19-C90 VanDerWaalsContact SG-O 3.36Å
20	V	87.4	Confident	80.8	Confident	6 Å²	6	67.9 Å²	67.9	4%	0.036	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	138.9	-174.3	-175.9	0	0	0	0	109.1	Y14 T22 M32 R89 C90 V92	Y14-V20 HydrophobicContact CD1-CG2 3.8Å; Y14-V20 HydrophobicContact CE1-CG1 4.36Å; Y14-V20 HydrophobicContact CE1-CG2 3.63Å; V20-T22 HydrophobicContact CG1-CG2 4.37Å; V20-M32 HydrophobicContact CB-SD 3.53Å; V20-M32 VanDerWaalsContact CB-SD 3.53Å; V20-M32 HydrophobicContact CG1-CE 4.36Å; V20-M32 HydrophobicContact CG1-SD 3.96Å; V20-M32 HydrophobicContact CG2-SD 3.75Å; V20-R89 WeakPolarHBondContact O-CA 3.45Å; V20-C90 PolarHBondContact N-O 2.96Å; V20-C90 PolarHBondContact O-N 3.39Å; V20-V92 HydrophobicContact CG2-CG2 3.74Å
21	L	91	Very high	82.8	Confident	63 Å²	63	63.8 Å²	63.8	33%	0.33	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	126.6	171.4	-174.4	77.7	0	0	0	108.4	F38 R87	L21-F38 HydrophobicContact CD1-CD2 4.11Å; L21-F38 HydrophobicContact CD1-CE2 3.61Å; L21-R87 HydrophobicContact CD1-CG 4.36Å
22	T	91	Very high	84.7	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	133.5	177.1	58.1	0	0	0	0	109.8	V20 I28 M32 L77 R87 A88	V20-T22 HydrophobicContact CG1-CG2 4.37Å; T22-I28 HydrophobicContact CG2-CD1 3.78Å; T22-M32 HydrophobicContact CG2-CE 3.69Å; T22-L77 HydrophobicContact CG2-CD1 4.25Å; T22-R87 WeakPolarHBondContact O-CA 3.26Å; T22-A88 PolarHBondContact N-O 2.95Å; T22-A88 PolarHBondContact O-N 3.04Å; T22-A88 PolarHBondContact OG1-O 3.02Å
23	I	92.1	Very high	86.4	Confident	76 Å²	76	55.5 Å²	55.5	39%	0.39	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	164.8	176.7	57.3	166.3	0	0	0	110.7	G25 D26 V83 R87	I23-G25 PolarHBondContact O-N 2.99Å; I23-D26 VanDerWaalsContact CG1-CG 3.5Å; I23-D26 WeakPolarHBondContact CG1-OD2 3.49Å; I23-D26 PolarHBondContact N-OD2 3.09Å; I23-D26 VanDerWaalsContact O-CB 3.25Å; I23-D26 WeakPolarHBondContact O-CB 3.47Å; I23-D26 PolarHBondContact O-N 3.12Å; I23-V83 VanDerWaalsContact O-CB 3.29Å; I23-V83 WeakPolarHBondContact O-CB 3.35Å; I23-R87 HydrophobicContact CG2-CB 4.43Å; I23-R87 HydrophobicContact CG2-CG 3.85Å
24	V	91.2	Very high	87.8	Confident	89 Å²	89	48.1 Å²	48.1	54%	0.539	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.6	134.8	175.1	62.4	0	0	0	0	111.7	D26 A84 G86	V24-D26 VanDerWaalsContact C-N 3.3Å; V24-D26 PolarHBondContact O-N 2.82Å; V24-A84 WeakPolarHBondContact CG2-O 3.36Å; V24-G86 PolarHBondContact N-O 2.04Å; V24-G86 VanDerWaalsContact N-O 3.1Å
25	G	87.2	Confident	89.1	Confident	63 Å²	63	50.1 Å²	50.1	65%	0.649	28%	0.279	S	S	*	.	T	Hydrogen-bonded Turn	trans	87	-14.6	-176.5	0	0	0	0	0	114.7	I23 V83	I23-G25 PolarHBondContact O-N 2.99Å; G25-V83 PolarHBondContact N-O 2.83Å
26	D	89.7	Confident	89.9	Confident	33 Å²	33	51.2 Å²	51.2	18%	0.176	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-67.7	137.5	176.3	-70.7	-19.8	0	0	0	111.1	I8 I23 V24 N82 V83	I8-D26 HydrophobicContact CD1-CB 4.05Å; I8-D26 WeakPolarHBondContact CD1-OD2 3.46Å; I23-D26 VanDerWaalsContact CG1-CG 3.5Å; I23-D26 WeakPolarHBondContact CG1-OD2 3.49Å; I23-D26 PolarHBondContact N-OD2 3.09Å; I23-D26 VanDerWaalsContact O-CB 3.25Å; I23-D26 WeakPolarHBondContact O-CB 3.47Å; I23-D26 PolarHBondContact O-N 3.12Å; V24-D26 VanDerWaalsContact C-N 3.3Å; V24-D26 PolarHBondContact O-N 2.82Å; D26-N82 WeakPolarHBondContact O-CA 3.41Å; D26-V83 HydrophobicContact CB-CG2 4.34Å; D26-V83 PolarHBondContact O-N 3.39Å
27	K	91.2	Very high	90.5	Very high	132 Å²	132	47.8 Å²	47.8	57%	0.574	26%	0.259	S	S	*	.	B	Isolated β-bridge	trans	-82.7	128.7	161.3	180	168.2	-83.3	-174.6	0	109.3	P29 G80 T81 N82	K27-P29 WeakPolarHBondContact O-CD 3.25Å; K27-G80 WeakPolarHBondContact CE-O 3.43Å; K27-T81 WeakPolarHBondContact CA-O 3.4Å; K27-N82 WeakPolarHBondContact CB-OD1 3.35Å; K27-N82 VanDerWaalsContact CE-OD1 3.28Å; K27-N82 WeakPolarHBondContact CE-OD1 3.31Å
28	I	93.2	Very high	90.9	Very high	2 Å²	2	45.6 Å²	45.6	1%	0.01	24%	0.244	C	C	.	.	P	Polyproline II helix	trans	-66.5	121	-178.1	-61	-54.4	0	0	0	109.5	T22 A30 M32 L77 F78 S79 G80 T81 V83	T22-I28 HydrophobicContact CG2-CD1 3.78Å; I28-A30 WeakPolarHBondContact CG2-O 3.43Å; I28-M32 HydrophobicContact CD1-CE 4.31Å; I28-M32 HydrophobicContact CG2-CE 3.7Å; I28-L77 HydrophobicContact CD1-CB 4.32Å; I28-L77 HydrophobicContact CD1-CD1 3.83Å; I28-L77 HydrophobicContact CG1-CB 4.35Å; I28-L77 HydrophobicContact CG2-CB 3.97Å; I28-F78 VanDerWaalsContact CB-O 3.28Å; I28-F78 WeakPolarHBondContact CB-O 3.18Å; I28-F78 WeakPolarHBondContact CG2-O 3.29Å; I28-S79 WeakPolarHBondContact O-CA 3.34Å; I28-G80 PolarHBondContact O-N 2.83Å; I28-T81 WeakPolarHBondContact CB-O 3.32Å; I28-T81 WeakPolarHBondContact CG1-O 3.3Å; I28-T81 WeakPolarHBondContact CG1-OG1 3.4Å; I28-T81 PolarHBondContact N-O 3.16Å; I28-V83 HydrophobicContact CD1-CG2 3.61Å
29	P	91.3	Very high	91	Very high	17 Å²	17	43 Å²	43	11%	0.11	24%	0.236	C	C	.	.			trans	-77.7	-30.6	-171.5	29.7	-38.1	0	0	0	114	L11 Y14 K27 M32 S79	L11-P29 HydrophobicContact CD2-CB 3.3Å; Y14-P29 HydrophobicContact CD2-CB 3.95Å; Y14-P29 HydrophobicContact CD2-CG 4.36Å; Y14-P29 HydrophobicContact CE2-CB 3.81Å; Y14-P29 HydrophobicContact CE2-CG 4.11Å; K27-P29 WeakPolarHBondContact O-CD 3.25Å; P29-M32 HydrophobicContact CG-CE 4.11Å; P29-S79 PolarHBondContact O-OG 2.85Å
30	A	93	Very high	90.7	Very high	2 Å²	2	42.4 Å²	42.4	2%	0.017	23%	0.231	C	C	.	.	S	Bend	trans	-152.1	167.8	-168.6	0	0	0	0	0	109	I28 M32 V92 G94 T95	I28-A30 WeakPolarHBondContact CG2-O 3.43Å; A30-M32 HydrophobicContact CB-CG 4.49Å; A30-M32 WeakPolarHBondContact O-CG 3.4Å; A30-M32 PolarHBondContact O-N 3.17Å; A30-V92 HydrophobicContact CB-CG1 3.92Å; A30-V92 HydrophobicContact CB-CG2 4.36Å; A30-G94 WeakPolarHBondContact CB-O 3.39Å; A30-T95 HydrophobicContact CB-CG2 4.06Å
31	D	95.1	Very high	90.6	Very high	8 Å²	8	42.4 Å²	42.4	4%	0.043	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.1	126.2	171.3	-72.8	5.1	0	0	0	108.6	L77 F78 S79 I93 G94 T99 E100	D31-L77 CarbonylContact C-O 3.41Å; D31-L77 WeakPolarHBondContact CA-O 3.3Å; D31-F78 WeakPolarHBondContact OD1-CA 3.45Å; D31-S79 PolarHBondContact OD1-N 3.22Å; D31-I93 HydrophobicContact CB-CG1 4.12Å; D31-I93 VanDerWaalsContact O-CG1 3.28Å; D31-I93 WeakPolarHBondContact O-CG1 3.31Å; D31-I93 PolarHBondContact O-N 2.92Å; D31-G94 PolarHBondContact N-O 3.08Å; D31-G94 PolarHBondContact O-N 3.48Å; D31-G94 VanDerWaalsContact O-N 3.17Å; D31-T99 HydrophobicContact CB-CG2 4.21Å; D31-T99 WeakPolarHBondContact OD2-CA 3.27Å; D31-E100 PolarHBondContact OD2-N 3.14Å
32	M	94.8	Very high	90.5	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	142.3	-172.1	-59.2	-171.9	-79.7	0	0	112.5	V20 T22 I28 P29 A30 L76 L77 C90 I91 V92	V20-M32 HydrophobicContact CB-SD 3.53Å; V20-M32 VanDerWaalsContact CB-SD 3.53Å; V20-M32 HydrophobicContact CG1-CE 4.36Å; V20-M32 HydrophobicContact CG1-SD 3.96Å; V20-M32 HydrophobicContact CG2-SD 3.75Å; T22-M32 HydrophobicContact CG2-CE 3.69Å; I28-M32 HydrophobicContact CD1-CE 4.31Å; I28-M32 HydrophobicContact CG2-CE 3.7Å; P29-M32 HydrophobicContact CG-CE 4.11Å; A30-M32 HydrophobicContact CB-CG 4.49Å; A30-M32 WeakPolarHBondContact O-CG 3.4Å; A30-M32 PolarHBondContact O-N 3.17Å; M32-L76 CarbonylContact O-C 3.57Å; M32-L76 VanDerWaalsContact O-CA 3.31Å; M32-L76 WeakPolarHBondContact O-CA 3.21Å; M32-L77 HydrophobicContact CB-CB 4.43Å; M32-L77 HydrophobicContact CE-CD1 4.4Å; M32-L77 PolarHBondContact N-O 3.12Å; M32-L77 PolarHBondContact O-N 3.29Å; M32-C90 HydrophobicContact CB-CB 3.73Å; M32-C90 HydrophobicContact CG-CB 4.45Å; M32-C90 HydrophobicContact SD-CB 3.98Å; M32-I91 CarbonylContact C-O 3.48Å; M32-I91 WeakPolarHBondContact CA-O 3.45Å; M32-I91 WeakPolarHBondContact CB-O 3.32Å; M32-V92 HydrophobicContact CG-CB 4.45Å; M32-V92 HydrophobicContact CG-CG2 3.93Å; M32-V92 HydrophobicContact SD-CG2 4.05Å
33	R	95.2	Very high	90.4	Very high	53 Å²	53	40.9 Å²	40.9	20%	0.2	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.8	129.2	169.2	175.3	61.5	166.8	96.1	-6.4	109.9	I35 I60 D61 N75 L76 C90 I91 I93	R33-I35 PolarHBondContact O-N 3.06Å; R33-I60 VanDerWaalsContact CZ-O 3.23Å; R33-I60 PolarHBondContact NH1-O 3.22Å; R33-I60 PolarHBondContact NH2-O 3.18Å; R33-D61 PolarHBondContact NH2-O 2.81Å; R33-N75 WeakPolarHBondContact CD-O 3.24Å; R33-N75 PolarHBondContact NE-ND2 3.46Å; R33-N75 PolarHBondContact NH2-ND2 2.9Å; R33-L76 HydrophobicContact CB-CD2 3.92Å; R33-L76 HydrophobicContact CG-CD2 4.42Å; R33-C90 CarbonylContact O-C 3.53Å; R33-C90 WeakPolarHBondContact O-CA 3.4Å; R33-C90 WeakPolarHBondContact O-CB 3.36Å; R33-I91 HydrophobicContact CB-CG2 3.85Å; R33-I91 HydrophobicContact CG-CG2 4.41Å; R33-I91 PolarHBondContact N-O 3.33Å; R33-I91 PolarHBondContact O-N 3.37Å; R33-I93 HydrophobicContact CB-CG2 3.8Å
34	I	94.7	Very high	90.4	Very high	1 Å²	1	37.2 Å²	37.2	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.6	130.6	178.2	-57.6	165.6	0	0	0	108.9	I37 L42 K58 I60 N75 L77 A88	I34-I37 HydrophobicContact CG2-CD1 4.35Å; I34-I37 HydrophobicContact CG2-CG1 3.76Å; I34-L42 HydrophobicContact CD1-CD2 3.82Å; I34-L42 HydrophobicContact CG1-CD2 4.38Å; I34-K58 HydrophobicContact CD1-CB 3.46Å; I34-K58 VanDerWaalsContact CD1-CB 3.46Å; I34-K58 HydrophobicContact CD1-CD 4.43Å; I34-K58 HydrophobicContact CD1-CG 4.08Å; I34-I60 HydrophobicContact CG2-CG1 4.14Å; I34-N75 WeakPolarHBondContact CG1-O 3.14Å; I34-N75 PolarHBondContact N-O 3.39Å; I34-L77 HydrophobicContact CD1-CD2 3.87Å; I34-L77 HydrophobicContact CD1-CG 4.14Å; I34-L77 HydrophobicContact CG1-CD1 4.33Å; I34-L77 HydrophobicContact CG1-CD2 4.14Å; I34-L77 HydrophobicContact CG1-CG 3.84Å; I34-A88 HydrophobicContact CG2-CB 4.4Å
35	I	93.8	Very high	90.2	Very high	78 Å²	78	35.8 Å²	35.8	40%	0.4	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	-41.8	176.4	-60	166.2	0	0	0	110.4	R33 I60 R89 I91	R33-I35 PolarHBondContact O-N 3.06Å; I35-I60 VanDerWaalsContact O-CG2 3.31Å; I35-I60 WeakPolarHBondContact O-CG2 3.16Å; I35-R89 PolarHBondContact N-O 3.41Å; I35-I91 HydrophobicContact CD1-CB 3.57Å; I35-I91 HydrophobicContact CD1-CG2 3.83Å; I35-I91 HydrophobicContact CG1-CB 4.23Å; I35-I91 HydrophobicContact CG1-CG2 3.95Å
36	Q	91.9	Very high	90.2	Very high	80 Å²	80	32.8 Å²	32.8	37%	0.374	16%	0.161	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	135.6	-174.9	-172.1	175.5	14.1	0	0	109.6	F38 A88 R89	Q36-F38 HydrophobicContact CG-CD1 4.49Å; Q36-F38 HydrophobicContact CG-CE1 4.17Å; Q36-F38 HydrophobicContact CG-CZ 4.42Å; Q36-A88 CarbonylContact O-C 3.52Å; Q36-A88 VanDerWaalsContact O-CA 3.31Å; Q36-A88 WeakPolarHBondContact O-CA 3.48Å; Q36-A88 WeakPolarHBondContact O-CB 3.36Å; Q36-R89 HydrophobicContact CB-CB 4.28Å; Q36-R89 PolarHBondContact N-O 3.21Å; Q36-R89 VanDerWaalsContact N-O 3.11Å; Q36-R89 PolarHBondContact O-N 2.88Å; Q36-R89 VanDerWaalsContact OE1-NH1 3.08Å
37	I	89.3	Confident	89.8	Confident	30 Å²	30	32.4 Å²	32.4	15%	0.154	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	126.2	172.4	-55.5	174.7	0	0	0	106.6	I34 S39 L42 K58 I60 A88	I34-I37 HydrophobicContact CG2-CD1 4.35Å; I34-I37 HydrophobicContact CG2-CG1 3.76Å; I37-S39 VanDerWaalsContact CG2-O 3.27Å; I37-S39 WeakPolarHBondContact CG2-O 3.5Å; I37-L42 HydrophobicContact CD1-CB 4.11Å; I37-L42 HydrophobicContact CG1-CB 4.39Å; I37-L42 HydrophobicContact CG2-CB 3.92Å; I37-K58 WeakPolarHBondContact CD1-O 3.46Å; I37-I60 HydrophobicContact CD1-CG1 4.12Å; I37-I60 HydrophobicContact CG1-CD1 4.2Å; I37-I60 HydrophobicContact CG1-CG1 3.98Å; I37-A88 HydrophobicContact CG1-CB 4.38Å
38	F	86.5	Confident	89.4	Confident	87 Å²	87	28.1 Å²	28.1	38%	0.382	15%	0.145	S	C	.	.			trans	-94.1	-25.1	-179.1	-63.4	-72.9	0	0	0	112.8	L21 Q36 R87 R89	L21-F38 HydrophobicContact CD1-CD2 4.11Å; L21-F38 HydrophobicContact CD1-CE2 3.61Å; Q36-F38 HydrophobicContact CG-CD1 4.49Å; Q36-F38 HydrophobicContact CG-CE1 4.17Å; Q36-F38 HydrophobicContact CG-CZ 4.42Å; F38-R87 HydrophobicContact CB-CB 4.39Å; F38-R87 HydrophobicContact CB-CG 4.26Å; F38-R87 HydrophobicContact CD2-CG 4.02Å; F38-R87 PolarHBondContact N-O 3.09Å; F38-R89 HydrophobicContact CE2-CB 3.68Å; F38-R89 HydrophobicContact CZ-CB 4.06Å
39	S	85	Confident	88.8	Confident	34 Å²	34	28.1 Å²	28.1	24%	0.238	15%	0.145	C	C	.	.	S	Bend	trans	-86.3	167	171	51.6	0	0	0	0	111.2	I37 T41 G86 R87	I37-S39 VanDerWaalsContact CG2-O 3.27Å; I37-S39 WeakPolarHBondContact CG2-O 3.5Å; S39-T41 VanDerWaalsContact C-N 3.3Å; S39-T41 WeakPolarHBondContact CB-O 3.26Å; S39-T41 PolarHBondContact O-N 3.24Å; S39-T41 PolarHBondContact OG-O 2.99Å; S39-G86 WeakPolarHBondContact OG-CA 3.4Å; S39-R87 PolarHBondContact N-O 2.93Å; S39-R87 PolarHBondContact OG-N 3.02Å
40	T	80.8	Confident	88.2	Confident	37 Å²	37	27.7 Å²	27.7	23%	0.227	14%	0.142	C	C	.	.	S	Bend	trans	-62.4	-39	174.9	-60.4	0	0	0	0	112.2	E359 S453	T40-E359 WeakPolarHBondContact CB-OE1 3.49Å; T40-E359 WeakPolarHBondContact CB-OE2 3.27Å; T40-E359 HydrophobicContact CG2-CG 3.9Å; T40-E359 VanDerWaalsContact OG1-CD 3.3Å; T40-E359 PolarHBondContact OG1-OE1 2.81Å; T40-S453 WeakPolarHBondContact CG2-OG 3.4Å
41	T	84.8	Confident	87.1	Confident	5 Å²	5	27.8 Å²	27.8	3%	0.031	14%	0.143	C	C	.	.			trans	-133.4	149.5	170.4	60	0	0	0	0	111.7	S39 I57 G86 F360	S39-T41 VanDerWaalsContact C-N 3.3Å; S39-T41 WeakPolarHBondContact CB-O 3.26Å; S39-T41 PolarHBondContact O-N 3.24Å; S39-T41 PolarHBondContact OG-O 2.99Å; T41-I57 HydrophobicContact CG2-CG2 4.31Å; T41-G86 WeakPolarHBondContact O-CA 3.16Å; T41-F360 WeakPolarHBondContact CG2-O 3.33Å
42	L	89.3	Confident	86.1	Confident	0 Å²	0	29.3 Å²	29.3	0%	0	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.7	165.8	-177.1	71	0	0	0	107.2	I34 I37 I44 I57 K58 L77 V83 A88	I34-L42 HydrophobicContact CD1-CD2 3.82Å; I34-L42 HydrophobicContact CG1-CD2 4.38Å; I37-L42 HydrophobicContact CD1-CB 4.11Å; I37-L42 HydrophobicContact CG1-CB 4.39Å; I37-L42 HydrophobicContact CG2-CB 3.92Å; L42-I44 HydrophobicContact CD1-CD1 4.25Å; L42-I44 HydrophobicContact CD2-CD1 4.29Å; L42-I44 HydrophobicContact CG-CD1 4.06Å; L42-I44 HydrophobicContact CG-CG1 4.4Å; L42-I57 WeakPolarHBondContact O-CA 3.44Å; L42-K58 HydrophobicContact CB-CB 4.38Å; L42-K58 HydrophobicContact CD2-CB 4.01Å; L42-K58 HydrophobicContact CD2-CG 4.45Å; L42-K58 HydrophobicContact CG-CB 4.39Å; L42-K58 PolarHBondContact O-N 3.39Å; L42-L77 HydrophobicContact CD2-CD1 4.48Å; L42-L77 HydrophobicContact CD2-CD2 4.06Å; L42-V83 HydrophobicContact CD1-CG1 3.99Å; L42-A88 HydrophobicContact CD1-CB 3.97Å; L42-A88 HydrophobicContact CD2-CB 3.59Å; L42-A88 HydrophobicContact CG-CB 4.33Å
43	R	89.1	Confident	84.9	Confident	31 Å²	31	30.6 Å²	30.6	12%	0.117	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	130.4	178.4	-60.3	-169.5	180	-142.9	9.9	109.6	S55 V56 I57 A84 S85 E312 F360	R43-S55 WeakPolarHBondContact CD-OG 3.13Å; R43-V56 WeakPolarHBondContact CA-O 3.33Å; R43-I57 HydrophobicContact CG-CG1 4.28Å; R43-A84 HydrophobicContact CB-CB 4.29Å; R43-A84 PolarHBondContact O-N 3.11Å; R43-S85 PolarHBondContact N-O 3.49Å; R43-S85 PolarHBondContact O-N 3.45Å; R43-S85 VanDerWaalsContact O-N 3.12Å; R43-E312 IonicContact CZ-OE1 3.3Å; R43-E312 IonicContact CZ-OE2 3.29Å; R43-E312 IonicContact NE-OE1 3.4Å; R43-E312 IonicContact NH1-OE1 3.88Å; R43-E312 PolarHBondContact NH1-OE1 2.89Å; R43-E312 IonicContact NH1-OE2 3.95Å; R43-E312 PolarHBondContact NH1-OE2 3.24Å; R43-F360 VanDerWaalsContact NH2-CB 3.32Å
44	I	90.8	Very high	83.9	Confident	0 Å²	0	29.7 Å²	29.7	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	131.2	-177.1	-54.8	-64.6	0	0	0	108.6	L42 Q46 S55 V56 K58 L77 N82 V83	L42-I44 HydrophobicContact CD1-CD1 4.25Å; L42-I44 HydrophobicContact CD2-CD1 4.29Å; L42-I44 HydrophobicContact CG-CD1 4.06Å; L42-I44 HydrophobicContact CG-CG1 4.4Å; I44-Q46 HydrophobicContact CB-CG 4.27Å; I44-Q46 HydrophobicContact CG2-CG 3.76Å; I44-Q46 PolarHBondContact O-N 2.98Å; I44-S55 CarbonylContact O-C 3.45Å; I44-S55 WeakPolarHBondContact O-CA 3.38Å; I44-V56 PolarHBondContact N-O 3.28Å; I44-V56 PolarHBondContact O-N 3.27Å; I44-K58 HydrophobicContact CB-CG 4.36Å; I44-K58 HydrophobicContact CG1-CD 4.48Å; I44-K58 HydrophobicContact CG1-CG 3.6Å; I44-L77 HydrophobicContact CD1-CD2 3.54Å; I44-L77 HydrophobicContact CG1-CD2 3.45Å; I44-L77 VanDerWaalsContact CG1-CD2 3.45Å; I44-N82 WeakPolarHBondContact CA-O 3.42Å; I44-N82 WeakPolarHBondContact CG2-O 3.39Å; I44-V83 HydrophobicContact CD1-CB 4.21Å; I44-V83 HydrophobicContact CD1-CG1 4.19Å; I44-V83 HydrophobicContact CD1-CG2 3.88Å
45	D	87.8	Confident	83.4	Confident	58 Å²	58	30.5 Å²	30.5	31%	0.31	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	112.6	166.9	179.2	7.1	0	0	0	109.1	A47 T81 N82	D45-A47 VanDerWaalsContact OD1-CB 3.29Å; D45-A47 WeakPolarHBondContact OD1-CB 3.25Å; D45-A47 PolarHBondContact OD1-N 2.92Å; D45-T81 VanDerWaalsContact O-CB 3.3Å; D45-T81 WeakPolarHBondContact O-CB 3.18Å; D45-N82 PolarHBondContact N-O 3.48Å; D45-N82 PolarHBondContact O-N 3.35Å
46	Q	87.3	Confident	83	Confident	1 Å²	1	28.3 Å²	28.3	1%	0.005	16%	0.155	C	C	.	.			trans	-111.2	18.1	-179.2	-53.7	-166.7	137.8	0	0	112.7	I44 I48 L49 T50 V56 T81	I44-Q46 HydrophobicContact CB-CG 4.27Å; I44-Q46 HydrophobicContact CG2-CG 3.76Å; I44-Q46 PolarHBondContact O-N 2.98Å; Q46-I48 PolarHBondContact O-N 3.41Å; Q46-I48 VanDerWaalsContact O-N 3.11Å; Q46-L49 PolarHBondContact O-N 3.42Å; Q46-T50 HydrophobicContact CB-CG2 4.2Å; Q46-T50 PolarHBondContact O-N 3.25Å; Q46-T50 PolarHBondContact O-OG1 3.13Å; Q46-V56 HydrophobicContact CG-CG2 4.42Å; Q46-T81 HydrophobicContact CB-CG2 4.38Å; Q46-T81 HydrophobicContact CG-CG2 4.32Å
47	A	79.9	Confident	82.8	Confident	25 Å²	25	26 Å²	26	21%	0.207	15%	0.145	C	C	.	.	H	α-helix	trans	-52.9	-37.5	-176.8	0	0	0	0	0	112.1	D45 L49 T50 G51 E52	D45-A47 VanDerWaalsContact OD1-CB 3.29Å; D45-A47 WeakPolarHBondContact OD1-CB 3.25Å; D45-A47 PolarHBondContact OD1-N 2.92Å; A47-L49 VanDerWaalsContact C-N 3.26Å; A47-L49 PolarHBondContact O-N 3.45Å; A47-T50 PolarHBondContact O-N 3.12Å; A47-G51 VanDerWaalsContact O-CA 3.31Å; A47-G51 WeakPolarHBondContact O-CA 3.36Å; A47-G51 PolarHBondContact O-N 2.89Å; A47-E52 WeakPolarHBondContact CA-O 3.34Å; A47-E52 WeakPolarHBondContact CB-O 3.45Å
48	I	83.6	Confident	82.8	Confident	41 Å²	41	24.6 Å²	24.6	21%	0.21	14%	0.138	C	C	.	.	H	α-helix	trans	-60.6	-28.5	-179.8	59.8	147.2	0	0	0	115	Q46 G80 T81 I101 V577 N578	Q46-I48 PolarHBondContact O-N 3.41Å; Q46-I48 VanDerWaalsContact O-N 3.11Å; I48-G80 WeakPolarHBondContact CD1-O 3.35Å; I48-T81 HydrophobicContact CD1-CG2 4.03Å; I48-T81 HydrophobicContact CG1-CG2 3.96Å; I48-I101 HydrophobicContact CD1-CD1 4.42Å; I48-V577 HydrophobicContact CB-CG2 4.26Å; I48-V577 HydrophobicContact CG2-CG2 4.5Å; I48-V577 WeakPolarHBondContact O-CB 3.28Å; I48-V577 PolarHBondContact O-N 3.47Å; I48-N578 PolarHBondContact O-N 3.28Å; I48-N578 PolarHBondContact O-OD1 2.91Å
49	L	81.7	Confident	82.8	Confident	2 Å²	2	22.1 Å²	22.1	1%	0.01	13%	0.128	C	C	.	.	H	α-helix	trans	-107.6	-20.9	-176.9	-71.6	174.3	0	0	0	112.5	Q46 A47 F78 T81 E100 I104 N578	Q46-L49 PolarHBondContact O-N 3.42Å; A47-L49 VanDerWaalsContact C-N 3.26Å; A47-L49 PolarHBondContact O-N 3.45Å; L49-F78 HydrophobicContact CD1-CB 3.29Å; L49-F78 HydrophobicContact CD1-CD2 4.03Å; L49-F78 HydrophobicContact CD1-CG 3.73Å; L49-T81 HydrophobicContact CD1-CG2 3.98Å; L49-E100 HydrophobicContact CD1-CB 4.38Å; L49-E100 HydrophobicContact CD2-CB 4.49Å; L49-I104 HydrophobicContact CD2-CD1 3.58Å; L49-N578 WeakPolarHBondContact O-CB 3.39Å
50	T	76.8	Confident	83.1	Confident	9 Å²	9	23.9 Å²	23.9	6%	0.055	13%	0.134	C	C	.	.	H	α-helix	trans	-120.6	-10.9	-170.9	61.7	0	0	0	0	113.7	Q46 A47 E52 Q71	Q46-T50 HydrophobicContact CB-CG2 4.2Å; Q46-T50 PolarHBondContact O-N 3.25Å; Q46-T50 PolarHBondContact O-OG1 3.13Å; A47-T50 PolarHBondContact O-N 3.12Å; T50-E52 PolarHBondContact O-N 3.22Å; T50-E52 VanDerWaalsContact O-N 3.11Å; T50-E52 PolarHBondContact OG1-N 3.15Å; T50-Q71 HydrophobicContact CG2-CG 3.87Å
51	G	70.7	Confident	83.4	Confident	4 Å²	4	27.6 Å²	27.6	4%	0.041	15%	0.152	C	C	.	.			trans	72.2	-15.8	-169.1	0	0	0	0	0	114.2	A47 S53	A47-G51 VanDerWaalsContact O-CA 3.31Å; A47-G51 WeakPolarHBondContact O-CA 3.36Å; A47-G51 PolarHBondContact O-N 2.89Å; G51-S53 PolarHBondContact O-N 3.4Å
52	E	73.5	Confident	83.5	Confident	39 Å²	39	34 Å²	34	18%	0.182	19%	0.185	C	C	.	.			trans	-82.2	118.5	-172.5	-67.1	-58.2	138.5	0	0	112.3	A47 T50 V54 T222	A47-E52 WeakPolarHBondContact CA-O 3.34Å; A47-E52 WeakPolarHBondContact CB-O 3.45Å; T50-E52 PolarHBondContact O-N 3.22Å; T50-E52 VanDerWaalsContact O-N 3.11Å; T50-E52 PolarHBondContact OG1-N 3.15Å; E52-V54 PolarHBondContact O-N 3.16Å; E52-T222 PolarHBondContact OE1-OG1 2.84Å
53	S	69.8	Low	83.4	Confident	27 Å²	27	35.8 Å²	35.8	19%	0.189	19%	0.194	C	C	.	.			trans	-78	-0.9	-177.2	-62.2	0	0	0	0	114.3	G51 N228 K309	G51-S53 PolarHBondContact O-N 3.4Å; S53-N228 PolarHBondContact OG-ND2 3.37Å; S53-N228 PolarHBondContact OG-OD1 3.3Å; S53-K309 PolarHBondContact O-NZ 2.89Å
54	V	75.4	Confident	83.2	Confident	34 Å²	34	40.2 Å²	40.2	21%	0.206	23%	0.227	C	C	.	.	S	Bend	trans	-95.9	130.2	-179	-179.4	0	0	0	0	109.1	E52 V56 A313	E52-V54 PolarHBondContact O-N 3.16Å; V54-V56 PolarHBondContact O-N 2.95Å; V54-A313 HydrophobicContact CG2-CB 4.46Å
55	S	84.1	Confident	82.7	Confident	19 Å²	19	42.4 Å²	42.4	13%	0.133	24%	0.238	C	C	.	.	P	Polyproline II helix	trans	-63	136.1	179.2	82.4	0	0	0	0	111.2	R43 I44 E312	R43-S55 WeakPolarHBondContact CD-OG 3.13Å; I44-S55 CarbonylContact O-C 3.45Å; I44-S55 WeakPolarHBondContact O-CA 3.38Å; S55-E312 PolarHBondContact OG-OE1 3.47Å
56	V	85.2	Confident	82.5	Confident	31 Å²	31	45.8 Å²	45.8	19%	0.188	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	129.4	-177.6	-176.9	0	0	0	0	109.6	R43 I44 Q46 V54 K74	R43-V56 WeakPolarHBondContact CA-O 3.33Å; I44-V56 PolarHBondContact N-O 3.28Å; I44-V56 PolarHBondContact O-N 3.27Å; Q46-V56 HydrophobicContact CG-CG2 4.42Å; V54-V56 PolarHBondContact O-N 2.95Å; V56-K74 HydrophobicContact CG1-CG 4.5Å
57	I	86.8	Confident	82.2	Confident	32 Å²	32	52.3 Å²	52.3	16%	0.164	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	126.2	177.8	-46.1	179.7	0	0	0	110.5	T41 L42 R43 F360 R362	T41-I57 HydrophobicContact CG2-CG2 4.31Å; L42-I57 WeakPolarHBondContact O-CA 3.44Å; R43-I57 HydrophobicContact CG-CG1 4.28Å; I57-F360 HydrophobicContact CD1-CD1 3.72Å; I57-F360 HydrophobicContact CD1-CE1 3.27Å; I57-F360 HydrophobicContact CD1-CZ 4.19Å; I57-R362 HydrophobicContact CB-CG 4.44Å; I57-R362 HydrophobicContact CD1-CG 4.15Å; I57-R362 VanDerWaalsContact CG2-CD 3.42Å; I57-R362 HydrophobicContact CG2-CG 3.78Å
58	K	89.6	Confident	82.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.6	-173	-63.6	-67.3	-175	165.2	0	114.2	I34 I37 L42 I44 K73 K74 L76 L77 R362	I34-K58 HydrophobicContact CD1-CB 3.46Å; I34-K58 VanDerWaalsContact CD1-CB 3.46Å; I34-K58 HydrophobicContact CD1-CD 4.43Å; I34-K58 HydrophobicContact CD1-CG 4.08Å; I37-K58 WeakPolarHBondContact CD1-O 3.46Å; L42-K58 HydrophobicContact CB-CB 4.38Å; L42-K58 HydrophobicContact CD2-CB 4.01Å; L42-K58 HydrophobicContact CD2-CG 4.45Å; L42-K58 HydrophobicContact CG-CB 4.39Å; L42-K58 PolarHBondContact O-N 3.39Å; I44-K58 HydrophobicContact CB-CG 4.36Å; I44-K58 HydrophobicContact CG1-CD 4.48Å; I44-K58 HydrophobicContact CG1-CG 3.6Å; K58-K73 PolarHBondContact NZ-O 3.27Å; K58-K74 CarbonylContact C-O 3.39Å; K58-K74 WeakPolarHBondContact CA-O 3.09Å; K58-K74 WeakPolarHBondContact CB-O 3.22Å; K58-K74 WeakPolarHBondContact CD-O 3.09Å; K58-L76 WeakPolarHBondContact CD-O 3.25Å; K58-L76 WeakPolarHBondContact CE-O 3.47Å; K58-L76 PolarHBondContact NZ-O 3.05Å; K58-L77 HydrophobicContact CG-CD2 4.11Å; K58-R362 PolarHBondContact O-NH1 3.07Å; K58-R362 PolarHBondContact O-NH2 2.89Å
59	H	87.5	Confident	82.2	Confident	36 Å²	36	50.7 Å²	50.7	17%	0.167	28%	0.278	C	S	.	.			trans	-120.5	170	-180	43	81.1	0	0	0	113.2	K74 N75 R362	H59-K74 VanDerWaalsContact CE1-CB 3.47Å; H59-K74 WeakPolarHBondContact CE1-CB 3.33Å; H59-K74 PolarHBondContact N-O 2.95Å; H59-K74 WeakPolarHBondContact NE2-CB 3.46Å; H59-K74 WeakPolarHBondContact NE2-CD 3.46Å; H59-N75 WeakPolarHBondContact O-CA 3.28Å; H59-N75 VanDerWaalsContact O-CB 3.28Å; H59-N75 WeakPolarHBondContact O-CB 3.31Å; H59-R362 VanDerWaalsContact N-NH1 3.17Å
60	I	90	Very high	82.3	Confident	71 Å²	71	50.8 Å²	50.8	36%	0.364	28%	0.279	S	S	.	.	S	Bend	trans	-93.9	-18.7	176.7	-52.2	164.2	0	0	0	110.6	R33 I34 I35 I37	R33-I60 VanDerWaalsContact CZ-O 3.23Å; R33-I60 PolarHBondContact NH1-O 3.22Å; R33-I60 PolarHBondContact NH2-O 3.18Å; I34-I60 HydrophobicContact CG2-CG1 4.14Å; I35-I60 VanDerWaalsContact O-CG2 3.31Å; I35-I60 WeakPolarHBondContact O-CG2 3.16Å; I37-I60 HydrophobicContact CD1-CG1 4.12Å; I37-I60 HydrophobicContact CG1-CD1 4.2Å; I37-I60 HydrophobicContact CG1-CG1 3.98Å
61	D	87.3	Confident	82.5	Confident	115 Å²	115	51.2 Å²	51.2	62%	0.615	28%	0.28	S	S	*	.	S	Bend	trans	-61.3	150.4	-174.6	-54.5	-49.2	0	0	0	113	R33 N75	R33-D61 PolarHBondContact NH2-O 2.81Å; D61-N75 WeakPolarHBondContact O-CB 3.31Å; D61-N75 PolarHBondContact O-ND2 3.23Å
62	I	88	Confident	83	Confident	140 Å²	140	54.5 Å²	54.5	72%	0.718	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-68.6	140.8	176.3	-61.2	172.1	0	0	0	108.6
63	I	87.1	Confident	83.7	Confident	36 Å²	36	54.8 Å²	54.8	19%	0.185	30%	0.297	C	S	.	.	P	Polyproline II helix	trans	-94.2	117.1	172.8	-64.2	169.6	0	0	0	106.3	D65 A68 D72 K73 N75	I63-D65 VanDerWaalsContact C-N 3.27Å; I63-D65 PolarHBondContact O-N 3.32Å; I63-A68 HydrophobicContact CG2-CB 3.77Å; I63-D72 VanDerWaalsContact CD1-O 3.23Å; I63-D72 WeakPolarHBondContact CD1-O 3.47Å; I63-K73 HydrophobicContact CD1-CB 4.42Å; I63-N75 HydrophobicContact CD1-CB 4.34Å; I63-N75 WeakPolarHBondContact CD1-OD1 3.46Å
64	P	83.4	Confident	84.6	Confident	125 Å²	125	57.4 Å²	57.4	81%	0.812	31%	0.305	S	S	*	.	S	Bend	trans	-67.3	-30.3	-173.5	-19.6	31	0	0	0	113.1	P66	P64-P66 VanDerWaalsContact O-CD 3.28Å; P64-P66 WeakPolarHBondContact O-CD 3.44Å
65	D	81.3	Confident	85.3	Confident	46 Å²	46	56.4 Å²	56.4	25%	0.246	30%	0.299	C	S	.	.			trans	-81.5	113.5	-175	-167.8	-16.9	0	0	0	110.9	I63 R67 A68 R528	I63-D65 VanDerWaalsContact C-N 3.27Å; I63-D65 PolarHBondContact O-N 3.32Å; D65-R67 PolarHBondContact O-N 3.24Å; D65-R67 PolarHBondContact OD1-N 3.26Å; D65-A68 HydrophobicContact CB-CB 4.23Å; D65-A68 VanDerWaalsContact O-CB 3.31Å; D65-A68 WeakPolarHBondContact O-CB 3.3Å; D65-A68 PolarHBondContact O-N 2.83Å; D65-R528 IonicContact OD2-CZ 2.72Å; D65-R528 IonicContact OD2-NH1 2.81Å; D65-R528 PolarHBondContact OD2-NH1 2.7Å; D65-R528 IonicContact OD2-NH2 2.95Å; D65-R528 PolarHBondContact OD2-NH2 2.83Å
66	P	82.6	Confident	85.8	Confident	128 Å²	128	56.9 Å²	56.9	83%	0.831	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-19.8	177.9	29.4	-34.6	0	0	0	113.1	P64	P64-P66 VanDerWaalsContact O-CD 3.28Å; P64-P66 WeakPolarHBondContact O-CD 3.44Å
67	R	82.2	Confident	86.2	Confident	139 Å²	139	55.4 Å²	55.4	53%	0.525	29%	0.291	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99.5	18.6	176.2	-67.1	178.7	61.8	-160	-6.1	111.9	D65 V69 D531 D532	D65-R67 PolarHBondContact O-N 3.24Å; D65-R67 PolarHBondContact OD1-N 3.26Å; R67-V69 PolarHBondContact O-N 3.33Å; R67-D531 VanDerWaalsContact NH2-CB 3.3Å; R67-D531 IonicContact NH2-OD2 3.2Å; R67-D532 IonicContact CZ-OD1 2.76Å; R67-D532 IonicContact NH1-OD1 2.69Å; R67-D532 PolarHBondContact NH1-OD1 3.18Å; R67-D532 IonicContact NH2-OD1 3.81Å; R67-D532 PolarHBondContact NH2-OD1 3.17Å
68	A	81.4	Confident	86.6	Confident	10 Å²	10	54 Å²	54	8%	0.083	28%	0.283	C	S	.	.			trans	-56.5	136.5	178	0	0	0	0	0	111.3	I63 D65 D72 K73	I63-A68 HydrophobicContact CG2-CB 3.77Å; D65-A68 HydrophobicContact CB-CB 4.23Å; D65-A68 VanDerWaalsContact O-CB 3.31Å; D65-A68 WeakPolarHBondContact O-CB 3.3Å; D65-A68 PolarHBondContact O-N 2.83Å; A68-D72 HydrophobicContact CB-CB 4.23Å; A68-K73 HydrophobicContact CB-CG 4.36Å; A68-K73 WeakPolarHBondContact O-CE 3.23Å
69	V	81.4	Confident	86.8	Confident	21 Å²	21	54.9 Å²	54.9	13%	0.127	29%	0.29	C	S	.	.			trans	-71.1	159.3	173.5	-67.2	0	0	0	0	111.5	R67 Q71 D72 K73 E552	R67-V69 PolarHBondContact O-N 3.33Å; V69-Q71 HydrophobicContact CG2-CB 4.39Å; V69-Q71 PolarHBondContact O-N 3.37Å; V69-D72 HydrophobicContact CG2-CB 3.98Å; V69-D72 WeakPolarHBondContact CG2-OD2 3.47Å; V69-D72 CarbonylContact O-C 3.48Å; V69-D72 WeakPolarHBondContact O-CA 3.35Å; V69-D72 WeakPolarHBondContact O-CB 3.48Å; V69-D72 PolarHBondContact O-N 2.88Å; V69-K73 WeakPolarHBondContact O-CG 3.32Å; V69-K73 PolarHBondContact O-N 2.99Å; V69-E552 VanDerWaalsContact C-OE1 3.23Å; V69-E552 WeakPolarHBondContact CA-OE1 3.41Å; V69-E552 HydrophobicContact CB-CG 4.24Å; V69-E552 WeakPolarHBondContact CB-OE1 3.39Å; V69-E552 HydrophobicContact CG1-CG 3.86Å; V69-E552 WeakPolarHBondContact CG1-OE1 3.3Å
70	N	84.7	Confident	86.9	Confident	4 Å²	4	53.8 Å²	53.8	2%	0.021	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57	-31.7	-179.2	-73	-32	0	0	0	112.4	D72 K73 F78 E100 E552	N70-D72 VanDerWaalsContact C-N 3.32Å; N70-K73 PolarHBondContact OD1-NZ 3.4Å; N70-F78 HydrophobicContact CB-CE2 4.36Å; N70-F78 HydrophobicContact CB-CZ 4.12Å; N70-E100 PolarHBondContact ND2-OE2 3.1Å; N70-E552 PolarHBondContact N-OE1 3.35Å; N70-E552 PolarHBondContact ND2-OE2 2.84Å
71	Q	80.2	Confident	87	Confident	19 Å²	19	50.5 Å²	50.5	9%	0.089	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-33.5	172.1	-60.8	85.5	-7.1	0	0	112.3	T50 V69 V551	T50-Q71 HydrophobicContact CG2-CG 3.87Å; V69-Q71 HydrophobicContact CG2-CB 4.39Å; V69-Q71 PolarHBondContact O-N 3.37Å; Q71-V551 PolarHBondContact NE2-O 3.48Å
72	D	81.7	Confident	87.2	Confident	73 Å²	73	47.8 Å²	47.8	39%	0.39	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.4	-20.7	-178.8	-71.4	-22.5	0	0	0	113	I63 A68 V69 N70 K74	I63-D72 VanDerWaalsContact CD1-O 3.23Å; I63-D72 WeakPolarHBondContact CD1-O 3.47Å; A68-D72 HydrophobicContact CB-CB 4.23Å; V69-D72 HydrophobicContact CG2-CB 3.98Å; V69-D72 WeakPolarHBondContact CG2-OD2 3.47Å; V69-D72 CarbonylContact O-C 3.48Å; V69-D72 WeakPolarHBondContact O-CA 3.35Å; V69-D72 WeakPolarHBondContact O-CB 3.48Å; V69-D72 PolarHBondContact O-N 2.88Å; N70-D72 VanDerWaalsContact C-N 3.32Å; D72-K74 PolarHBondContact O-N 2.85Å
73	K	88.3	Confident	87.4	Confident	44 Å²	44	41.2 Å²	41.2	19%	0.191	22%	0.224	C	C	.	.			trans	-64.7	54.8	171.8	-70.5	178.6	-153.9	165.5	0	113.2	K58 I63 A68 V69 N70 N75 L76 F78 E100	K58-K73 PolarHBondContact NZ-O 3.27Å; I63-K73 HydrophobicContact CD1-CB 4.42Å; A68-K73 HydrophobicContact CB-CG 4.36Å; A68-K73 WeakPolarHBondContact O-CE 3.23Å; V69-K73 WeakPolarHBondContact O-CG 3.32Å; V69-K73 PolarHBondContact O-N 2.99Å; N70-K73 PolarHBondContact OD1-NZ 3.4Å; K73-N75 PolarHBondContact O-N 2.92Å; K73-N75 VanDerWaalsContact O-N 3.16Å; K73-L76 HydrophobicContact CB-CB 4.43Å; K73-L76 HydrophobicContact CB-CD1 4.15Å; K73-L76 HydrophobicContact CB-CG 4.39Å; K73-L76 HydrophobicContact CD-CD1 3.82Å; K73-L76 HydrophobicContact CG-CD1 4.23Å; K73-L76 PolarHBondContact O-N 2.82Å; K73-F78 HydrophobicContact CB-CE2 4.47Å; K73-F78 HydrophobicContact CB-CZ 3.75Å; K73-F78 HydrophobicContact CD-CE1 4.28Å; K73-F78 HydrophobicContact CD-CZ 3.97Å; K73-E100 IonicContact NZ-OE1 3.32Å
74	K	87.7	Confident	87.4	Confident	83 Å²	83	41.8 Å²	41.8	36%	0.361	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-4.7	-178	-71.6	175.8	-172.9	168.7	0	114.3	V56 K58 H59 D72	V56-K74 HydrophobicContact CG1-CG 4.5Å; K58-K74 CarbonylContact C-O 3.39Å; K58-K74 WeakPolarHBondContact CA-O 3.09Å; K58-K74 WeakPolarHBondContact CB-O 3.22Å; K58-K74 WeakPolarHBondContact CD-O 3.09Å; H59-K74 VanDerWaalsContact CE1-CB 3.47Å; H59-K74 WeakPolarHBondContact CE1-CB 3.33Å; H59-K74 PolarHBondContact N-O 2.95Å; H59-K74 WeakPolarHBondContact NE2-CB 3.46Å; H59-K74 WeakPolarHBondContact NE2-CD 3.46Å; D72-K74 PolarHBondContact O-N 2.85Å
75	N	91.8	Very high	87.7	Confident	13 Å²	13	38.3 Å²	38.3	7%	0.07	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	-104.3	2.3	173.7	68.8	-1.1	0	0	0	114.4	R33 I34 H59 D61 I63 K73	R33-N75 WeakPolarHBondContact CD-O 3.24Å; R33-N75 PolarHBondContact NE-ND2 3.46Å; R33-N75 PolarHBondContact NH2-ND2 2.9Å; I34-N75 WeakPolarHBondContact CG1-O 3.14Å; I34-N75 PolarHBondContact N-O 3.39Å; H59-N75 WeakPolarHBondContact O-CA 3.28Å; H59-N75 VanDerWaalsContact O-CB 3.28Å; H59-N75 WeakPolarHBondContact O-CB 3.31Å; D61-N75 WeakPolarHBondContact O-CB 3.31Å; D61-N75 PolarHBondContact O-ND2 3.23Å; I63-N75 HydrophobicContact CD1-CB 4.34Å; I63-N75 WeakPolarHBondContact CD1-OD1 3.46Å; K73-N75 PolarHBondContact O-N 2.92Å; K73-N75 VanDerWaalsContact O-N 3.16Å
76	L	93.3	Very high	88	Confident	28 Å²	28	36.8 Å²	36.8	15%	0.147	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	153	176.8	-60	-175.7	0	0	0	111.8	M32 R33 K58 K73 F78 I93	M32-L76 CarbonylContact O-C 3.57Å; M32-L76 VanDerWaalsContact O-CA 3.31Å; M32-L76 WeakPolarHBondContact O-CA 3.21Å; R33-L76 HydrophobicContact CB-CD2 3.92Å; R33-L76 HydrophobicContact CG-CD2 4.42Å; K58-L76 WeakPolarHBondContact CD-O 3.25Å; K58-L76 WeakPolarHBondContact CE-O 3.47Å; K58-L76 PolarHBondContact NZ-O 3.05Å; K73-L76 HydrophobicContact CB-CB 4.43Å; K73-L76 HydrophobicContact CB-CD1 4.15Å; K73-L76 HydrophobicContact CB-CG 4.39Å; K73-L76 HydrophobicContact CD-CD1 3.82Å; K73-L76 HydrophobicContact CG-CD1 4.23Å; K73-L76 PolarHBondContact O-N 2.82Å; L76-F78 HydrophobicContact CB-CE1 4.21Å; L76-F78 HydrophobicContact CB-CZ 4.15Å; L76-F78 HydrophobicContact CD1-CE1 4.22Å; L76-F78 HydrophobicContact CD1-CZ 4.5Å; L76-I93 HydrophobicContact CD1-CD1 4.05Å; L76-I93 HydrophobicContact CD2-CD1 3.6Å; L76-I93 HydrophobicContact CG-CD1 4.44Å
77	L	94.5	Very high	88.4	Confident	0 Å²	0	36.5 Å²	36.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	135.4	165.4	-55.1	-174.3	0	0	0	107.7	T22 I28 D31 M32 I34 L42 I44 K58 C90	T22-L77 HydrophobicContact CG2-CD1 4.25Å; I28-L77 HydrophobicContact CD1-CB 4.32Å; I28-L77 HydrophobicContact CD1-CD1 3.83Å; I28-L77 HydrophobicContact CG1-CB 4.35Å; I28-L77 HydrophobicContact CG2-CB 3.97Å; D31-L77 CarbonylContact C-O 3.41Å; D31-L77 WeakPolarHBondContact CA-O 3.3Å; M32-L77 HydrophobicContact CB-CB 4.43Å; M32-L77 HydrophobicContact CE-CD1 4.4Å; M32-L77 PolarHBondContact N-O 3.12Å; M32-L77 PolarHBondContact O-N 3.29Å; I34-L77 HydrophobicContact CD1-CD2 3.87Å; I34-L77 HydrophobicContact CD1-CG 4.14Å; I34-L77 HydrophobicContact CG1-CD1 4.33Å; I34-L77 HydrophobicContact CG1-CD2 4.14Å; I34-L77 HydrophobicContact CG1-CG 3.84Å; L42-L77 HydrophobicContact CD2-CD1 4.48Å; L42-L77 HydrophobicContact CD2-CD2 4.06Å; I44-L77 HydrophobicContact CD1-CD2 3.54Å; I44-L77 HydrophobicContact CG1-CD2 3.45Å; I44-L77 VanDerWaalsContact CG1-CD2 3.45Å; K58-L77 HydrophobicContact CG-CD2 4.11Å; L77-C90 HydrophobicContact CD1-CB 4.49Å; L77-C90 WeakPolarHBondContact CD1-SG 3.35Å
78	F	94.5	Very high	88.9	Confident	2 Å²	2	29.9 Å²	29.9	1%	0.009	17%	0.165	C	C	.	.			trans	-107.6	141.9	-175.6	-57.2	-73	0	0	0	111.7	I28 D31 L49 N70 K73 L76 G80 T81 E100	I28-F78 VanDerWaalsContact CB-O 3.28Å; I28-F78 WeakPolarHBondContact CB-O 3.18Å; I28-F78 WeakPolarHBondContact CG2-O 3.29Å; D31-F78 WeakPolarHBondContact OD1-CA 3.45Å; L49-F78 HydrophobicContact CD1-CB 3.29Å; L49-F78 HydrophobicContact CD1-CD2 4.03Å; L49-F78 HydrophobicContact CD1-CG 3.73Å; N70-F78 HydrophobicContact CB-CE2 4.36Å; N70-F78 HydrophobicContact CB-CZ 4.12Å; K73-F78 HydrophobicContact CB-CE2 4.47Å; K73-F78 HydrophobicContact CB-CZ 3.75Å; K73-F78 HydrophobicContact CD-CE1 4.28Å; K73-F78 HydrophobicContact CD-CZ 3.97Å; L76-F78 HydrophobicContact CB-CE1 4.21Å; L76-F78 HydrophobicContact CB-CZ 4.15Å; L76-F78 HydrophobicContact CD1-CE1 4.22Å; L76-F78 HydrophobicContact CD1-CZ 4.5Å; F78-G80 PolarHBondContact O-N 3.43Å; F78-T81 HydrophobicContact CB-CG2 4.03Å; F78-T81 WeakPolarHBondContact O-CB 3.29Å; F78-T81 PolarHBondContact O-N 3.32Å; F78-T81 PolarHBondContact O-OG1 3.18Å; F78-E100 HydrophobicContact CD1-CB 4.18Å; F78-E100 HydrophobicContact CD1-CG 3.55Å; F78-E100 HydrophobicContact CE1-CG 3.67Å
79	S	93.5	Very high	89.5	Confident	20 Å²	20	32.5 Å²	32.5	14%	0.14	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-54.4	137	178.1	-171.3	0	0	0	0	111.4	I28 P29 D31 T81	I28-S79 WeakPolarHBondContact O-CA 3.34Å; P29-S79 PolarHBondContact O-OG 2.85Å; D31-S79 PolarHBondContact OD1-N 3.22Å; S79-T81 VanDerWaalsContact C-N 3.3Å; S79-T81 PolarHBondContact O-N 3.35Å
80	G	90.3	Very high	90.1	Very high	13 Å²	13	31.5 Å²	31.5	13%	0.134	17%	0.166	C	C	.	.	T	Hydrogen-bonded Turn	trans	86.6	-18.5	-179.4	0	0	0	0	0	115.5	K27 I28 I48 F78	K27-G80 WeakPolarHBondContact CE-O 3.43Å; I28-G80 PolarHBondContact O-N 2.83Å; I48-G80 WeakPolarHBondContact CD1-O 3.35Å; F78-G80 PolarHBondContact O-N 3.43Å
81	T	91.9	Very high	90.6	Very high	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.176	C	C	.	.			trans	-71.2	164.9	174.1	64.3	0	0	0	0	111.2	K27 I28 D45 Q46 I48 L49 F78 S79	K27-T81 WeakPolarHBondContact CA-O 3.4Å; I28-T81 WeakPolarHBondContact CB-O 3.32Å; I28-T81 WeakPolarHBondContact CG1-O 3.3Å; I28-T81 WeakPolarHBondContact CG1-OG1 3.4Å; I28-T81 PolarHBondContact N-O 3.16Å; D45-T81 VanDerWaalsContact O-CB 3.3Å; D45-T81 WeakPolarHBondContact O-CB 3.18Å; Q46-T81 HydrophobicContact CB-CG2 4.38Å; Q46-T81 HydrophobicContact CG-CG2 4.32Å; I48-T81 HydrophobicContact CD1-CG2 4.03Å; I48-T81 HydrophobicContact CG1-CG2 3.96Å; L49-T81 HydrophobicContact CD1-CG2 3.98Å; F78-T81 HydrophobicContact CB-CG2 4.03Å; F78-T81 WeakPolarHBondContact O-CB 3.29Å; F78-T81 PolarHBondContact O-N 3.32Å; F78-T81 PolarHBondContact O-OG1 3.18Å; S79-T81 VanDerWaalsContact C-N 3.3Å; S79-T81 PolarHBondContact O-N 3.35Å
82	N	91.9	Very high	91.3	Very high	58 Å²	58	32.5 Å²	32.5	31%	0.31	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	144.6	-177	-58.9	-37.4	0	0	0	111.6	D26 K27 I44 D45 A84	D26-N82 WeakPolarHBondContact O-CA 3.41Å; K27-N82 WeakPolarHBondContact CB-OD1 3.35Å; K27-N82 VanDerWaalsContact CE-OD1 3.28Å; K27-N82 WeakPolarHBondContact CE-OD1 3.31Å; I44-N82 WeakPolarHBondContact CA-O 3.42Å; I44-N82 WeakPolarHBondContact CG2-O 3.39Å; D45-N82 PolarHBondContact N-O 3.48Å; D45-N82 PolarHBondContact O-N 3.35Å; N82-A84 PolarHBondContact O-N 3.33Å
83	V	91.8	Very high	91.9	Very high	3 Å²	3	33 Å²	33	2%	0.018	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	106.7	172.4	-173.2	0	0	0	0	109.3	I23 G25 D26 I28 L42 I44	I23-V83 VanDerWaalsContact O-CB 3.29Å; I23-V83 WeakPolarHBondContact O-CB 3.35Å; G25-V83 PolarHBondContact N-O 2.83Å; D26-V83 HydrophobicContact CB-CG2 4.34Å; D26-V83 PolarHBondContact O-N 3.39Å; I28-V83 HydrophobicContact CD1-CG2 3.61Å; L42-V83 HydrophobicContact CD1-CG1 3.99Å; I44-V83 HydrophobicContact CD1-CB 4.21Å; I44-V83 HydrophobicContact CD1-CG1 4.19Å; I44-V83 HydrophobicContact CD1-CG2 3.88Å
84	A	87.9	Confident	92.1	Very high	48 Å²	48	31.2 Å²	31.2	40%	0.397	17%	0.167	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.6	-37.5	177.6	0	0	0	0	0	111.9	V24 R43 N82	V24-A84 WeakPolarHBondContact CG2-O 3.36Å; R43-A84 HydrophobicContact CB-CB 4.29Å; R43-A84 PolarHBondContact O-N 3.11Å; N82-A84 PolarHBondContact O-N 3.33Å
85	S	88.3	Confident	92.3	Very high	51 Å²	51	29.3 Å²	29.3	36%	0.357	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-159	152.1	174.8	-178.9	0	0	0	0	111.7	R43	R43-S85 PolarHBondContact N-O 3.49Å; R43-S85 PolarHBondContact O-N 3.45Å; R43-S85 VanDerWaalsContact O-N 3.12Å
86	G	88.1	Confident	92.2	Very high	14 Å²	14	31.5 Å²	31.5	14%	0.144	19%	0.188	C	C	.	.			trans	96.9	-176.6	173.2	0	0	0	0	0	115.1	V24 S39 T41	V24-G86 PolarHBondContact N-O 2.04Å; V24-G86 VanDerWaalsContact N-O 3.1Å; S39-G86 WeakPolarHBondContact OG-CA 3.4Å; T41-G86 WeakPolarHBondContact O-CA 3.16Å
87	R	91.6	Very high	92.1	Very high	123 Å²	123	34.6 Å²	34.6	46%	0.464	21%	0.205	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.5	132.3	-177.6	179.2	175	179.2	-173.5	-2.7	110	L21 T22 I23 F38 S39	L21-R87 HydrophobicContact CD1-CG 4.36Å; T22-R87 WeakPolarHBondContact O-CA 3.26Å; I23-R87 HydrophobicContact CG2-CB 4.43Å; I23-R87 HydrophobicContact CG2-CG 3.85Å; F38-R87 HydrophobicContact CB-CB 4.39Å; F38-R87 HydrophobicContact CB-CG 4.26Å; F38-R87 HydrophobicContact CD2-CG 4.02Å; F38-R87 PolarHBondContact N-O 3.09Å; S39-R87 PolarHBondContact N-O 2.93Å; S39-R87 PolarHBondContact OG-N 3.02Å
88	A	93.2	Very high	91.9	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.1	155.3	-178.4	0	0	0	0	0	112.9	T22 I34 Q36 I37 L42	T22-A88 PolarHBondContact N-O 2.95Å; T22-A88 PolarHBondContact O-N 3.04Å; T22-A88 PolarHBondContact OG1-O 3.02Å; I34-A88 HydrophobicContact CG2-CB 4.4Å; Q36-A88 CarbonylContact O-C 3.52Å; Q36-A88 VanDerWaalsContact O-CA 3.31Å; Q36-A88 WeakPolarHBondContact O-CA 3.48Å; Q36-A88 WeakPolarHBondContact O-CB 3.36Å; I37-A88 HydrophobicContact CG1-CB 4.38Å; L42-A88 HydrophobicContact CD1-CB 3.97Å; L42-A88 HydrophobicContact CD2-CB 3.59Å; L42-A88 HydrophobicContact CG-CB 4.33Å
89	R	93.8	Very high	91.9	Very high	65 Å²	65	40.9 Å²	40.9	25%	0.245	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	130	168.1	-178.6	-179.8	-72.6	151.9	-8.7	108.7	Y5 C19 V20 I35 Q36 F38	Y5-R89 PolarHBondContact OH-NH2 3.06Å; C19-R89 VanDerWaalsContact SG-CD 3.58Å; C19-R89 WeakPolarHBondContact SG-CG 3.41Å; V20-R89 WeakPolarHBondContact O-CA 3.45Å; I35-R89 PolarHBondContact N-O 3.41Å; Q36-R89 HydrophobicContact CB-CB 4.28Å; Q36-R89 PolarHBondContact N-O 3.21Å; Q36-R89 VanDerWaalsContact N-O 3.11Å; Q36-R89 PolarHBondContact O-N 2.88Å; Q36-R89 VanDerWaalsContact OE1-NH1 3.08Å; F38-R89 HydrophobicContact CE2-CB 3.68Å; F38-R89 HydrophobicContact CZ-CB 4.06Å
90	C	93.9	Very high	91.7	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	163.7	-175.5	-50.5	0	0	0	0	110.8	C19 V20 M32 R33 L77	C19-C90 CarbonylContact C-O 3.56Å; C19-C90 VanDerWaalsContact CA-O 3.31Å; C19-C90 WeakPolarHBondContact CA-O 3.24Å; C19-C90 PolarHBondContact SG-O 2.87Å; C19-C90 VanDerWaalsContact SG-O 3.36Å; V20-C90 PolarHBondContact N-O 2.96Å; V20-C90 PolarHBondContact O-N 3.39Å; M32-C90 HydrophobicContact CB-CB 3.73Å; M32-C90 HydrophobicContact CG-CB 4.45Å; M32-C90 HydrophobicContact SD-CB 3.98Å; R33-C90 CarbonylContact O-C 3.53Å; R33-C90 WeakPolarHBondContact O-CA 3.4Å; R33-C90 WeakPolarHBondContact O-CB 3.36Å; L77-C90 HydrophobicContact CD1-CB 4.49Å; L77-C90 WeakPolarHBondContact CD1-SG 3.35Å
91	I	94.8	Very high	91.7	Very high	43 Å²	43	43.2 Å²	43.2	22%	0.221	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.6	134.2	172.7	-171.5	164.8	0	0	0	110	L17 H18 M32 R33 I35 I93	L17-I91 HydrophobicContact CB-CD1 4.24Å; L17-I91 HydrophobicContact CD2-CD1 3.81Å; L17-I91 HydrophobicContact CD2-CG1 4.42Å; H18-I91 WeakPolarHBondContact O-CA 3.49Å; M32-I91 CarbonylContact C-O 3.48Å; M32-I91 WeakPolarHBondContact CA-O 3.45Å; M32-I91 WeakPolarHBondContact CB-O 3.32Å; R33-I91 HydrophobicContact CB-CG2 3.85Å; R33-I91 HydrophobicContact CG-CG2 4.41Å; R33-I91 PolarHBondContact N-O 3.33Å; R33-I91 PolarHBondContact O-N 3.37Å; I35-I91 HydrophobicContact CD1-CB 3.57Å; I35-I91 HydrophobicContact CD1-CG2 3.83Å; I35-I91 HydrophobicContact CG1-CB 4.23Å; I35-I91 HydrophobicContact CG1-CG2 3.95Å; I91-I93 PolarHBondContact O-N 2.9Å
92	V	94.8	Very high	91.6	Very high	1 Å²	1	43.4 Å²	43.4	1%	0.006	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	125.7	-179.6	179.6	0	0	0	0	110.6	L17 H18 V20 A30 M32 T95	L17-V92 PolarHBondContact N-O 2.96Å; H18-V92 HydrophobicContact CB-CG2 4.33Å; H18-V92 WeakPolarHBondContact O-CG2 3.33Å; H18-V92 PolarHBondContact O-N 3.38Å; V20-V92 HydrophobicContact CG2-CG2 3.74Å; A30-V92 HydrophobicContact CB-CG1 3.92Å; A30-V92 HydrophobicContact CB-CG2 4.36Å; M32-V92 HydrophobicContact CG-CB 4.45Å; M32-V92 HydrophobicContact CG-CG2 3.93Å; M32-V92 HydrophobicContact SD-CG2 4.05Å; V92-T95 HydrophobicContact CG1-CG2 3.43Å; V92-T95 VanDerWaalsContact CG1-CG2 3.43Å
93	I	94.1	Very high	91.5	Very high	83 Å²	83	45.6 Å²	45.6	43%	0.426	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	-19.5	178.6	60.4	163	0	0	0	113.1	L16 D31 R33 L76 I91	L16-I93 WeakPolarHBondContact CD2-O 3.47Å; D31-I93 HydrophobicContact CB-CG1 4.12Å; D31-I93 VanDerWaalsContact O-CG1 3.28Å; D31-I93 WeakPolarHBondContact O-CG1 3.31Å; D31-I93 PolarHBondContact O-N 2.92Å; R33-I93 HydrophobicContact CB-CG2 3.8Å; L76-I93 HydrophobicContact CD1-CD1 4.05Å; L76-I93 HydrophobicContact CD2-CD1 3.6Å; L76-I93 HydrophobicContact CG-CD1 4.44Å; I91-I93 PolarHBondContact O-N 2.9Å
94	G	92.1	Very high	91.2	Very high	6 Å²	6	45.8 Å²	45.8	6%	0.062	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.7	140.9	178.2	0	0	0	0	0	111.5	A30 D31 T99	A30-G94 WeakPolarHBondContact CB-O 3.39Å; D31-G94 PolarHBondContact N-O 3.08Å; D31-G94 PolarHBondContact O-N 3.48Å; D31-G94 VanDerWaalsContact O-N 3.17Å; G94-T99 WeakPolarHBondContact O-CG2 3.49Å
95	T	92.2	Very high	91.2	Very high	44 Å²	44	51.3 Å²	51.3	27%	0.27	27%	0.265	S	S	.	.			trans	-136.8	157.6	179.1	61.2	0	0	0	0	110.8	A30 V92 L97 N98	A30-T95 HydrophobicContact CB-CG2 4.06Å; V92-T95 HydrophobicContact CG1-CG2 3.43Å; V92-T95 VanDerWaalsContact CG1-CG2 3.43Å; T95-L97 PolarHBondContact O-N 2.84Å; T95-N98 PolarHBondContact O-N 3.47Å; T95-N98 VanDerWaalsContact O-N 3.16Å
96	G	89.7	Confident	91.3	Very high	58 Å²	58	51 Å²	51	60%	0.598	26%	0.261	S	S	*	.	G	3₁₀ helix	trans	57.6	-131.8	178.1	0	0	0	0	0	112.8	N98 T99	G96-N98 PolarHBondContact O-N 2.96Å; G96-T99 PolarHBondContact O-N 3.12Å; G96-T99 PolarHBondContact O-OG1 2.96Å
97	L	90.6	Very high	91.2	Very high	94 Å²	94	52.6 Å²	52.6	49%	0.492	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-65.8	-17.9	-179.2	-60.5	176.7	0	0	0	113.7	T95 T99 G102 K103	T95-L97 PolarHBondContact O-N 2.84Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 2.75Å; L97-G102 CarbonylContact O-C 3.31Å; L97-K103 PolarHBondContact O-N 3.03Å
98	N	91.8	Very high	90.9	Very high	129 Å²	129	48.4 Å²	48.4	69%	0.69	25%	0.251	S	S	*	.	G	3₁₀ helix	trans	-85.4	4.6	179.5	-64.8	-26.8	0	0	0	113.5	T95 G96	T95-N98 PolarHBondContact O-N 3.47Å; T95-N98 VanDerWaalsContact O-N 3.16Å; G96-N98 PolarHBondContact O-N 2.96Å
99	T	92.7	Very high	90.6	Very high	4 Å²	4	53.6 Å²	53.6	3%	0.025	28%	0.282	C	S	.	.	S	Bend	trans	-86.3	162.8	172	58.3	0	0	0	0	111	D31 G94 G96 L97 I101 G102 K103	D31-T99 HydrophobicContact CB-CG2 4.21Å; D31-T99 WeakPolarHBondContact OD2-CA 3.27Å; G94-T99 WeakPolarHBondContact O-CG2 3.49Å; G96-T99 PolarHBondContact O-N 3.12Å; G96-T99 PolarHBondContact O-OG1 2.96Å; L97-T99 VanDerWaalsContact C-N 3.27Å; L97-T99 PolarHBondContact O-N 2.75Å; T99-I101 VanDerWaalsContact C-N 3.32Å; T99-I101 PolarHBondContact O-N 2.89Å; T99-I101 WeakPolarHBondContact OG1-CG2 3.27Å; T99-G102 CarbonylContact O-C 3.5Å; T99-G102 WeakPolarHBondContact O-CA 3.4Å; T99-G102 PolarHBondContact O-N 3.34Å; T99-G102 WeakPolarHBondContact OG1-CA 3.27Å; T99-G102 PolarHBondContact OG1-N 3.33Å; T99-K103 WeakPolarHBondContact O-CG 3.35Å; T99-K103 PolarHBondContact O-N 3.09Å
100	E	90	Very high	90.3	Very high	33 Å²	33	57.5 Å²	57.5	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-58.5	-41.8	174.6	-64.5	-56.3	136.4	0	0	112.2	D31 L49 N70 K73 F78 G102 K103 I104	D31-E100 PolarHBondContact OD2-N 3.14Å; L49-E100 HydrophobicContact CD1-CB 4.38Å; L49-E100 HydrophobicContact CD2-CB 4.49Å; N70-E100 PolarHBondContact ND2-OE2 3.1Å; K73-E100 IonicContact NZ-OE1 3.32Å; F78-E100 HydrophobicContact CD1-CB 4.18Å; F78-E100 HydrophobicContact CD1-CG 3.55Å; F78-E100 HydrophobicContact CE1-CG 3.67Å; E100-G102 VanDerWaalsContact C-N 3.29Å; E100-G102 PolarHBondContact O-N 2.69Å; E100-K103 PolarHBondContact O-N 3.46Å; E100-K103 IonicContact OE1-NZ 2.86Å; E100-K103 PolarHBondContact OE1-NZ 3.21Å; E100-K103 IonicContact OE2-NZ 2.9Å; E100-I104 WeakPolarHBondContact O-CG1 3.5Å; E100-I104 PolarHBondContact O-N 3.33Å
101	I	89.8	Confident	89.7	Confident	50 Å²	50	58.2 Å²	58.2	26%	0.256	31%	0.308	S	S	.	.	H	α-helix	trans	-68.7	-30	173.1	-163.1	170.3	0	0	0	112.4	I48 T99 R105	I48-I101 HydrophobicContact CD1-CD1 4.42Å; T99-I101 VanDerWaalsContact C-N 3.32Å; T99-I101 PolarHBondContact O-N 2.89Å; T99-I101 WeakPolarHBondContact OG1-CG2 3.27Å; I101-R105 PolarHBondContact O-N 3.4Å
102	G	90.8	Very high	88.9	Confident	4 Å²	4	64.2 Å²	64.2	4%	0.041	33%	0.334	C	S	.	.	H	α-helix	trans	-65.4	-41.7	173.7	0	0	0	0	0	112.5	L97 T99 E100 R105 T106	L97-G102 CarbonylContact O-C 3.31Å; T99-G102 CarbonylContact O-C 3.5Å; T99-G102 WeakPolarHBondContact O-CA 3.4Å; T99-G102 PolarHBondContact O-N 3.34Å; T99-G102 WeakPolarHBondContact OG1-CA 3.27Å; T99-G102 PolarHBondContact OG1-N 3.33Å; E100-G102 VanDerWaalsContact C-N 3.29Å; E100-G102 PolarHBondContact O-N 2.69Å; G102-R105 WeakPolarHBondContact O-CB 3.38Å; G102-R105 PolarHBondContact O-N 3.46Å; G102-T106 PolarHBondContact O-N 2.93Å; G102-T106 PolarHBondContact O-OG1 3.15Å; G102-T106 VanDerWaalsContact O-OG1 3.11Å
103	K	89.4	Confident	87.7	Confident	104 Å²	104	68.7 Å²	68.7	45%	0.452	36%	0.362	S	S	.	.	H	α-helix	trans	-61.2	-47	174.1	-67.1	171.6	-173.1	171	0	111.3	L97 T99 E100 R105 T106 E107	L97-K103 PolarHBondContact O-N 3.03Å; T99-K103 WeakPolarHBondContact O-CG 3.35Å; T99-K103 PolarHBondContact O-N 3.09Å; E100-K103 PolarHBondContact O-N 3.46Å; E100-K103 IonicContact OE1-NZ 2.86Å; E100-K103 PolarHBondContact OE1-NZ 3.21Å; E100-K103 IonicContact OE2-NZ 2.9Å; K103-R105 VanDerWaalsContact C-N 3.28Å; K103-R105 PolarHBondContact O-N 3.44Å; K103-T106 PolarHBondContact O-N 3.3Å; K103-T106 VanDerWaalsContact O-N 3.15Å; K103-E107 WeakPolarHBondContact O-CB 3.37Å; K103-E107 PolarHBondContact O-N 3.22Å
104	I	86.6	Confident	86.7	Confident	8 Å²	8	70.8 Å²	70.8	4%	0.041	37%	0.37	C	S	.	.	H	α-helix	trans	-55.6	-45.4	174.5	-67.4	170.7	0	0	0	110.5	L49 E100 T106 E107 M108 P553 V577 P581	L49-I104 HydrophobicContact CD2-CD1 3.58Å; E100-I104 WeakPolarHBondContact O-CG1 3.5Å; E100-I104 PolarHBondContact O-N 3.33Å; I104-T106 PolarHBondContact O-N 3.16Å; I104-E107 PolarHBondContact O-N 2.85Å; I104-M108 HydrophobicContact CG2-SD 4.31Å; I104-M108 VanDerWaalsContact O-CG 3.31Å; I104-M108 WeakPolarHBondContact O-CG 3.45Å; I104-M108 PolarHBondContact O-N 2.95Å; I104-P553 HydrophobicContact CD1-CB 4.4Å; I104-P553 HydrophobicContact CD1-CG 4.26Å; I104-P553 HydrophobicContact CG1-CB 4.35Å; I104-V577 HydrophobicContact CG2-CG1 4.33Å; I104-P581 HydrophobicContact CB-CG 4.46Å; I104-P581 HydrophobicContact CG2-CG 3.73Å
105	R	87.9	Confident	86	Confident	164 Å²	164	78.1 Å²	78.1	62%	0.619	40%	0.396	S	S	*	.	H	α-helix	trans	-61.1	-45.6	177.4	179.3	-173.1	174.6	-164.1	-1.8	112.1	I101 G102 K103 M108 V109	I101-R105 PolarHBondContact O-N 3.4Å; G102-R105 WeakPolarHBondContact O-CB 3.38Å; G102-R105 PolarHBondContact O-N 3.46Å; K103-R105 VanDerWaalsContact C-N 3.28Å; K103-R105 PolarHBondContact O-N 3.44Å; R105-M108 PolarHBondContact O-N 3.34Å; R105-V109 WeakPolarHBondContact O-CG2 3.48Å; R105-V109 PolarHBondContact O-N 3.42Å; R105-V109 VanDerWaalsContact O-N 3.1Å
106	T	89.8	Confident	85.2	Confident	44 Å²	44	76.9 Å²	76.9	27%	0.27	39%	0.388	S	S	.	.	H	α-helix	trans	-60.8	-48.1	178.9	-57.6	0	0	0	0	110.4	G102 K103 I104 M108 V109 E110	G102-T106 PolarHBondContact O-N 2.93Å; G102-T106 PolarHBondContact O-OG1 3.15Å; G102-T106 VanDerWaalsContact O-OG1 3.11Å; K103-T106 PolarHBondContact O-N 3.3Å; K103-T106 VanDerWaalsContact O-N 3.15Å; I104-T106 PolarHBondContact O-N 3.16Å; T106-M108 VanDerWaalsContact C-N 3.33Å; T106-M108 PolarHBondContact O-N 3.03Å; T106-V109 PolarHBondContact O-N 3.49Å; T106-E110 HydrophobicContact CG2-CG 4.37Å; T106-E110 WeakPolarHBondContact CG2-OE1 3.42Å; T106-E110 WeakPolarHBondContact O-CG 3.41Å; T106-E110 PolarHBondContact O-N 3.36Å
107	E	85.6	Confident	84.6	Confident	47 Å²	47	74.5 Å²	74.5	22%	0.22	36%	0.362	C	S	.	.	H	α-helix	trans	-59.5	-42.3	178.4	-167.3	179.9	177.5	0	0	112	K103 I104 V109 E110 T111 S557 P581	K103-E107 WeakPolarHBondContact O-CB 3.37Å; K103-E107 PolarHBondContact O-N 3.22Å; I104-E107 PolarHBondContact O-N 2.85Å; E107-V109 VanDerWaalsContact C-N 3.32Å; E107-V109 PolarHBondContact O-N 2.72Å; E107-E110 PolarHBondContact O-N 2.98Å; E107-T111 WeakPolarHBondContact O-CB 3.49Å; E107-T111 PolarHBondContact O-N 2.67Å; E107-T111 PolarHBondContact O-OG1 2.98Å; E107-S557 WeakPolarHBondContact OE1-CB 3.39Å; E107-S557 PolarHBondContact OE1-OG 3.06Å; E107-P581 HydrophobicContact CB-CB 4.39Å; E107-P581 HydrophobicContact CG-CB 3.94Å
108	M	84.5	Confident	83.9	Confident	36 Å²	36	70.2 Å²	70.2	18%	0.177	34%	0.34	C	S	.	.	H	α-helix	trans	-61.8	-36.7	174.2	-75.3	-178.5	72.6	0	0	113.1	I104 R105 T106 A580 P581 K584 V598 A602	I104-M108 HydrophobicContact CG2-SD 4.31Å; I104-M108 VanDerWaalsContact O-CG 3.31Å; I104-M108 WeakPolarHBondContact O-CG 3.45Å; I104-M108 PolarHBondContact O-N 2.95Å; R105-M108 PolarHBondContact O-N 3.34Å; T106-M108 VanDerWaalsContact C-N 3.33Å; T106-M108 PolarHBondContact O-N 3.03Å; M108-A580 HydrophobicContact CE-CB 3.75Å; M108-A580 HydrophobicContact CG-CB 4.26Å; M108-A580 HydrophobicContact SD-CB 3.45Å; M108-A580 WeakPolarHBondContact SD-CB 3.49Å; M108-P581 HydrophobicContact CG-CB 4.42Å; M108-P581 HydrophobicContact CG-CG 4.02Å; M108-K584 WeakPolarHBondContact O-CD 3.49Å; M108-K584 PolarHBondContact O-NZ 2.88Å; M108-V598 HydrophobicContact CE-CG1 4.37Å; M108-V598 HydrophobicContact SD-CG1 4.38Å; M108-A602 HydrophobicContact CE-CB 3.98Å
109	V	87.8	Confident	83.3	Confident	109 Å²	109	67.7 Å²	67.7	66%	0.661	32%	0.324	S	S	*	.	H	α-helix	trans	-74.9	-39.4	-179.8	171.9	0	0	0	0	110.9	R105 T106 E107 T111	R105-V109 WeakPolarHBondContact O-CG2 3.48Å; R105-V109 PolarHBondContact O-N 3.42Å; R105-V109 VanDerWaalsContact O-N 3.1Å; T106-V109 PolarHBondContact O-N 3.49Å; E107-V109 VanDerWaalsContact C-N 3.32Å; E107-V109 PolarHBondContact O-N 2.72Å; V109-T111 VanDerWaalsContact C-N 3.33Å
110	E	86.9	Confident	82.9	Confident	147 Å²	147	72 Å²	72	69%	0.687	34%	0.344	S	S	*	.	H	α-helix	trans	-73.1	-24.2	179.3	-70.4	176.3	174.9	0	0	113	T106 E107 E112	T106-E110 HydrophobicContact CG2-CG 4.37Å; T106-E110 WeakPolarHBondContact CG2-OE1 3.42Å; T106-E110 WeakPolarHBondContact O-CG 3.41Å; T106-E110 PolarHBondContact O-N 3.36Å; E107-E110 PolarHBondContact O-N 2.98Å; E110-E112 PolarHBondContact O-N 3.12Å; E110-E112 VanDerWaalsContact O-N 3.09Å
111	T	82	Confident	82.4	Confident	15 Å²	15	71.7 Å²	71.7	9%	0.092	34%	0.342	C	S	.	.			trans	-69.3	106.5	176.5	-60.7	0	0	0	0	110.9	E107 V109 K584 K585	E107-T111 WeakPolarHBondContact O-CB 3.49Å; E107-T111 PolarHBondContact O-N 2.67Å; E107-T111 PolarHBondContact O-OG1 2.98Å; V109-T111 VanDerWaalsContact C-N 3.33Å; T111-K584 HydrophobicContact CG2-CG 4.25Å; T111-K584 VanDerWaalsContact O-CE 3.24Å; T111-K584 WeakPolarHBondContact O-CE 3.13Å; T111-K584 PolarHBondContact O-NZ 3.47Å; T111-K585 HydrophobicContact CG2-CB 3.87Å; T111-K585 HydrophobicContact CG2-CD 3.56Å; T111-K585 HydrophobicContact CG2-CG 4.33Å
112	E	77.2	Confident	81.8	Confident	168 Å²	168	71.4 Å²	71.4	79%	0.785	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-73.5	137.1	168.3	-65.3	-170.6	170.5	0	0	110.6	E110	E110-E112 PolarHBondContact O-N 3.12Å; E110-E112 VanDerWaalsContact O-N 3.09Å
113	T	71.1	Confident	81.4	Confident	95 Å²	95	75.1 Å²	75.1	58%	0.583	36%	0.359	S	S	*	.	P	Polyproline II helix	trans	-81.3	119.1	173.6	49.9	0	0	0	0	109	K584	T113-K584 HydrophobicContact CG2-CG 4.35Å
114	E	72.7	Confident	81.2	Confident	128 Å²	128	74.2 Å²	74.2	60%	0.598	36%	0.357	S	S	*	.	P	Polyproline II helix	trans	-67	151.4	173.3	-67.6	-158.4	172.1	0	0	111.5
115	R	76.5	Confident	80.7	Confident	160 Å²	160	75.3 Å²	75.3	60%	0.604	36%	0.361	S	S	*	.	P	Polyproline II helix	trans	-69.6	142.1	173.3	-66.4	-173	-174.8	-176.5	4.6	109.5	Q119 Q120 D123	R115-Q119 HydrophobicContact CB-CB 4.37Å; R115-Q120 HydrophobicContact CB-CG 3.94Å; R115-Q120 PolarHBondContact O-NE2 2.98Å; R115-D123 IonicContact CZ-OD2 2.65Å; R115-D123 IonicContact NH1-OD2 2.76Å; R115-D123 PolarHBondContact NH1-OD2 3.18Å
116	T	77	Confident	80.4	Confident	17 Å²	17	69.1 Å²	69.1	10%	0.104	35%	0.348	C	S	.	.	P	Polyproline II helix	trans	-65.7	154.5	179.9	67.8	0	0	0	0	112	L118 Q119 Q120 P206 T210	T116-L118 PolarHBondContact O-N 3.33Å; T116-Q119 PolarHBondContact O-N 2.94Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.31Å; T116-Q119 PolarHBondContact OG1-N 3.37Å; T116-Q120 WeakPolarHBondContact O-CG 3.35Å; T116-Q120 PolarHBondContact O-N 3.18Å; T116-P206 HydrophobicContact CG2-CB 3.76Å; T116-T210 WeakPolarHBondContact CB-OG1 3.39Å; T116-T210 WeakPolarHBondContact CG2-OG1 3.26Å
117	P	77.1	Confident	80.2	Confident	8 Å²	8	72.4 Å²	72.4	5%	0.052	36%	0.361	C	S	.	.	H	α-helix	trans	-52.8	-39.8	176.5	-28.7	36.1	0	0	0	113.1	Q120 K121 T210 I569	P117-Q120 PolarHBondContact O-N 2.99Å; P117-K121 WeakPolarHBondContact O-CB 3.19Å; P117-K121 VanDerWaalsContact O-CG 3.24Å; P117-K121 WeakPolarHBondContact O-CG 3.36Å; P117-K121 PolarHBondContact O-N 3.35Å; P117-T210 HydrophobicContact CG-CG2 4.45Å; P117-I569 HydrophobicContact CG-CD1 3.9Å
118	L	75	Confident	80	Confident	5 Å²	5	75.4 Å²	75.4	3%	0.026	38%	0.375	C	S	.	.	H	α-helix	trans	-60.7	-47.7	174.5	-171.8	65.3	0	0	0	112.7	T116 Q120 K121 L122 E209 M629	T116-L118 PolarHBondContact O-N 3.33Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.22Å; L118-K121 PolarHBondContact O-N 2.85Å; L118-L122 HydrophobicContact CD1-CD1 4.38Å; L118-L122 HydrophobicContact CD1-CG 4.37Å; L118-L122 HydrophobicContact CD2-CD1 4.33Å; L118-L122 HydrophobicContact CG-CD1 3.87Å; L118-L122 HydrophobicContact CG-CG 4.26Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 WeakPolarHBondContact O-CG 3.26Å; L118-L122 PolarHBondContact O-N 3.04Å; L118-E209 HydrophobicContact CB-CG 4.24Å; L118-E209 WeakPolarHBondContact CB-OE1 3.29Å; L118-E209 HydrophobicContact CD2-CB 4.28Å; L118-E209 HydrophobicContact CD2-CG 4.37Å; L118-M629 HydrophobicContact CD1-CE 3.77Å; L118-M629 HydrophobicContact CD2-CE 3.67Å; L118-M629 HydrophobicContact CD2-SD 4.06Å; L118-M629 HydrophobicContact CG-CE 4.35Å
119	Q	79.7	Confident	79.7	Confident	76 Å²	76	75.6 Å²	75.6	36%	0.355	38%	0.376	S	S	.	.	H	α-helix	trans	-61.6	-44.8	-179.3	-75.8	176.3	-23	0	0	110.5	R115 T116 K121 L122 D123	R115-Q119 HydrophobicContact CB-CB 4.37Å; T116-Q119 PolarHBondContact O-N 2.94Å; T116-Q119 WeakPolarHBondContact OG1-CG 3.31Å; T116-Q119 PolarHBondContact OG1-N 3.37Å; Q119-K121 VanDerWaalsContact C-N 3.3Å; Q119-K121 PolarHBondContact O-N 2.86Å; Q119-L122 PolarHBondContact O-N 2.97Å; Q119-D123 WeakPolarHBondContact O-CB 3.28Å; Q119-D123 VanDerWaalsContact O-CG 3.3Å; Q119-D123 PolarHBondContact O-N 3.19Å
120	Q	84.1	Confident	79.5	Confident	94 Å²	94	73.7 Å²	73.7	44%	0.439	37%	0.368	S	S	.	.	H	α-helix	trans	-59	-42.5	175.3	-63.9	-179.4	14.1	0	0	111.5	R115 T116 P117 L118 D123 E124	R115-Q120 HydrophobicContact CB-CG 3.94Å; R115-Q120 PolarHBondContact O-NE2 2.98Å; T116-Q120 WeakPolarHBondContact O-CG 3.35Å; T116-Q120 PolarHBondContact O-N 3.18Å; P117-Q120 PolarHBondContact O-N 2.99Å; L118-Q120 VanDerWaalsContact C-N 3.32Å; L118-Q120 PolarHBondContact O-N 3.22Å; Q120-D123 PolarHBondContact O-N 3.4Å; Q120-E124 VanDerWaalsContact O-CB 3.32Å; Q120-E124 WeakPolarHBondContact O-CB 3.46Å; Q120-E124 PolarHBondContact O-N 2.99Å
121	K	78.5	Confident	79.5	Confident	27 Å²	27	72.1 Å²	72.1	12%	0.117	36%	0.359	C	S	.	.	H	α-helix	trans	-72.1	-33.5	179	-68.9	-68.8	163.7	-158.1	0	113.6	P117 L118 Q119 E124 F125 P696 L700	P117-K121 WeakPolarHBondContact O-CB 3.19Å; P117-K121 VanDerWaalsContact O-CG 3.24Å; P117-K121 WeakPolarHBondContact O-CG 3.36Å; P117-K121 PolarHBondContact O-N 3.35Å; L118-K121 PolarHBondContact O-N 2.85Å; Q119-K121 VanDerWaalsContact C-N 3.3Å; Q119-K121 PolarHBondContact O-N 2.86Å; K121-E124 IonicContact NZ-OE2 2.86Å; K121-E124 PolarHBondContact NZ-OE2 2.69Å; K121-F125 WeakPolarHBondContact O-CB 3.41Å; K121-F125 PolarHBondContact O-N 3.08Å; K121-P696 WeakPolarHBondContact CE-O 3.2Å; K121-L700 HydrophobicContact CB-CD1 4.22Å
122	L	77.5	Confident	79.4	Confident	44 Å²	44	75 Å²	75	23%	0.23	38%	0.376	C	S	.	.	H	α-helix	trans	-69.1	-39.9	173.4	-72.9	171.7	0	0	0	111.3	L118 Q119 F125 G126 I184	L118-L122 HydrophobicContact CD1-CD1 4.38Å; L118-L122 HydrophobicContact CD1-CG 4.37Å; L118-L122 HydrophobicContact CD2-CD1 4.33Å; L118-L122 HydrophobicContact CG-CD1 3.87Å; L118-L122 HydrophobicContact CG-CG 4.26Å; L118-L122 WeakPolarHBondContact O-CB 3.43Å; L118-L122 WeakPolarHBondContact O-CG 3.26Å; L118-L122 PolarHBondContact O-N 3.04Å; Q119-L122 PolarHBondContact O-N 2.97Å; L122-F125 PolarHBondContact O-N 2.76Å; L122-G126 PolarHBondContact O-N 3.49Å; L122-I184 HydrophobicContact CD1-CD1 3.88Å; L122-I184 HydrophobicContact CD2-CD1 3.76Å; L122-I184 HydrophobicContact CG-CD1 4.49Å
123	D	83	Confident	79.5	Confident	81 Å²	81	68 Å²	68	43%	0.433	34%	0.344	S	S	.	.	H	α-helix	trans	-64.4	-47.4	174.2	-72.5	-18.7	0	0	0	110.7	R115 Q119 Q120 F125 G126 E127	R115-D123 IonicContact CZ-OD2 2.65Å; R115-D123 IonicContact NH1-OD2 2.76Å; R115-D123 PolarHBondContact NH1-OD2 3.18Å; Q119-D123 WeakPolarHBondContact O-CB 3.28Å; Q119-D123 VanDerWaalsContact O-CG 3.3Å; Q119-D123 PolarHBondContact O-N 3.19Å; Q120-D123 PolarHBondContact O-N 3.4Å; D123-F125 VanDerWaalsContact C-N 3.34Å; D123-F125 PolarHBondContact O-N 2.95Å; D123-G126 PolarHBondContact O-N 3.19Å; D123-E127 PolarHBondContact O-N 3.2Å
124	E	84	Confident	80.1	Confident	85 Å²	85	66.6 Å²	66.6	40%	0.397	34%	0.338	S	S	.	.	H	α-helix	trans	-60.4	-44.2	176.3	-172.5	-177.2	-179.5	0	0	111.1	Q120 K121 E127 Q128	Q120-E124 VanDerWaalsContact O-CB 3.32Å; Q120-E124 WeakPolarHBondContact O-CB 3.46Å; Q120-E124 PolarHBondContact O-N 2.99Å; K121-E124 IonicContact NZ-OE2 2.86Å; K121-E124 PolarHBondContact NZ-OE2 2.69Å; E124-E127 PolarHBondContact O-N 3.26Å; E124-Q128 WeakPolarHBondContact O-CG 3.5Å; E124-Q128 PolarHBondContact O-N 3.49Å
125	F	77.8	Confident	80.8	Confident	31 Å²	31	66 Å²	66	14%	0.136	34%	0.338	C	S	.	.	H	α-helix	trans	-62.2	-46	175.5	173	-103.9	0	0	0	111.6	K121 L122 D123 E127 Q128 L129 L180 I637	K121-F125 WeakPolarHBondContact O-CB 3.41Å; K121-F125 PolarHBondContact O-N 3.08Å; L122-F125 PolarHBondContact O-N 2.76Å; D123-F125 VanDerWaalsContact C-N 3.34Å; D123-F125 PolarHBondContact O-N 2.95Å; F125-E127 VanDerWaalsContact C-N 3.32Å; F125-E127 PolarHBondContact O-N 3.44Å; F125-Q128 PolarHBondContact O-N 2.98Å; F125-L129 HydrophobicContact CE1-CD2 4.16Å; F125-L129 HydrophobicContact CZ-CD2 4.18Å; F125-L129 VanDerWaalsContact O-CB 3.31Å; F125-L129 WeakPolarHBondContact O-CB 3.32Å; F125-L129 PolarHBondContact O-N 3.5Å; F125-L180 HydrophobicContact CE1-CD2 4.46Å; F125-I637 HydrophobicContact CD2-CD1 4.36Å; F125-I637 HydrophobicContact CE1-CD1 4.11Å; F125-I637 HydrophobicContact CE2-CD1 3.39Å; F125-I637 HydrophobicContact CE2-CG1 4.23Å; F125-I637 HydrophobicContact CZ-CD1 3.24Å; F125-I637 HydrophobicContact CZ-CG1 3.69Å
126	G	81.2	Confident	80.8	Confident	34 Å²	34	60.6 Å²	60.6	35%	0.351	32%	0.32	S	S	.	.	H	α-helix	trans	-61.2	-39.7	177.2	0	0	0	0	0	112.4	L122 D123 L129 S130	L122-G126 PolarHBondContact O-N 3.49Å; D123-G126 PolarHBondContact O-N 3.19Å; G126-L129 PolarHBondContact O-N 3.13Å; G126-S130 WeakPolarHBondContact O-CB 3.47Å; G126-S130 PolarHBondContact O-N 3.41Å
127	E	85.7	Confident	80.9	Confident	113 Å²	113	61.5 Å²	61.5	53%	0.528	33%	0.327	S	S	.	.	H	α-helix	trans	-67.4	-43.5	176.1	-163.3	-169.8	154.2	0	0	111.8	D123 E124 F125 S130 K131	D123-E127 PolarHBondContact O-N 3.2Å; E124-E127 PolarHBondContact O-N 3.26Å; F125-E127 VanDerWaalsContact C-N 3.32Å; F125-E127 PolarHBondContact O-N 3.44Å; E127-S130 PolarHBondContact O-N 2.82Å; E127-K131 WeakPolarHBondContact O-CG 3.15Å; E127-K131 PolarHBondContact O-N 2.89Å; E127-K131 VanDerWaalsContact O-N 3.08Å; E127-K131 VanDerWaalsContact OE1-CE 3.31Å; E127-K131 WeakPolarHBondContact OE1-CE 3.49Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.3Å
128	Q	81.5	Confident	81.2	Confident	110 Å²	110	65.6 Å²	65.6	51%	0.514	35%	0.352	S	S	.	.	H	α-helix	trans	-61.6	-46.1	174.9	-75.8	-176.5	3.1	0	0	111.5	E124 F125 S130 K131 V132	E124-Q128 WeakPolarHBondContact O-CG 3.5Å; E124-Q128 PolarHBondContact O-N 3.49Å; F125-Q128 PolarHBondContact O-N 2.98Å; Q128-S130 PolarHBondContact O-N 3.4Å; Q128-K131 WeakPolarHBondContact O-CB 3.14Å; Q128-K131 PolarHBondContact O-N 2.84Å; Q128-V132 WeakPolarHBondContact O-CG2 3.22Å; Q128-V132 PolarHBondContact O-N 3.26Å
129	L	77.6	Confident	81.3	Confident	40 Å²	40	67.3 Å²	67.3	21%	0.209	37%	0.367	C	S	.	.	H	α-helix	trans	-61.4	-45.8	178.7	-174.5	65.1	0	0	0	111	F125 G126 K131 V132 I133 P177	F125-L129 HydrophobicContact CE1-CD2 4.16Å; F125-L129 HydrophobicContact CZ-CD2 4.18Å; F125-L129 VanDerWaalsContact O-CB 3.31Å; F125-L129 WeakPolarHBondContact O-CB 3.32Å; F125-L129 PolarHBondContact O-N 3.5Å; G126-L129 PolarHBondContact O-N 3.13Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 3.45Å; L129-V132 PolarHBondContact O-N 3.46Å; L129-V132 VanDerWaalsContact O-N 3.12Å; L129-I133 HydrophobicContact CD1-CD1 4.33Å; L129-I133 HydrophobicContact CD1-CG1 4.46Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.88Å; L129-I133 HydrophobicContact CG-CG1 4.4Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 2.8Å; L129-P177 HydrophobicContact CD2-CG 4.31Å
130	S	82.9	Confident	81	Confident	70 Å²	70	64.2 Å²	64.2	49%	0.49	35%	0.353	S	S	.	.	H	α-helix	trans	-57.9	-40.6	176.4	-177.6	0	0	0	0	112.6	G126 E127 Q128 S134	G126-S130 WeakPolarHBondContact O-CB 3.47Å; G126-S130 PolarHBondContact O-N 3.41Å; E127-S130 PolarHBondContact O-N 2.82Å; Q128-S130 PolarHBondContact O-N 3.4Å; S130-S134 WeakPolarHBondContact O-CB 3.48Å; S130-S134 PolarHBondContact O-N 2.97Å; S130-S134 PolarHBondContact O-OG 3.36Å
131	K	86.7	Confident	80.7	Confident	114 Å²	114	66.4 Å²	66.4	50%	0.496	36%	0.357	S	S	.	.	H	α-helix	trans	-63.8	-46.2	174.1	-72.5	170.2	-174.1	164.1	0	111.7	E127 Q128 L129 S134 I135	E127-K131 WeakPolarHBondContact O-CG 3.15Å; E127-K131 PolarHBondContact O-N 2.89Å; E127-K131 VanDerWaalsContact O-N 3.08Å; E127-K131 VanDerWaalsContact OE1-CE 3.31Å; E127-K131 WeakPolarHBondContact OE1-CE 3.49Å; E127-K131 IonicContact OE1-NZ 2.67Å; E127-K131 PolarHBondContact OE1-NZ 3.3Å; Q128-K131 WeakPolarHBondContact O-CB 3.14Å; Q128-K131 PolarHBondContact O-N 2.84Å; L129-K131 VanDerWaalsContact C-N 3.3Å; L129-K131 PolarHBondContact O-N 3.45Å; K131-S134 PolarHBondContact O-N 3.2Å; K131-I135 VanDerWaalsContact O-CG1 3.3Å; K131-I135 WeakPolarHBondContact O-CG1 3.35Å; K131-I135 PolarHBondContact O-N 2.95Å
132	V	80.3	Confident	80.7	Confident	75 Å²	75	67.7 Å²	67.7	46%	0.455	37%	0.373	S	S	.	.	H	α-helix	trans	-61.4	-47.9	178.7	172.2	0	0	0	0	110.9	Q128 L129 S134 I135 I136	Q128-V132 WeakPolarHBondContact O-CG2 3.22Å; Q128-V132 PolarHBondContact O-N 3.26Å; L129-V132 PolarHBondContact O-N 3.46Å; L129-V132 VanDerWaalsContact O-N 3.12Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.4Å; V132-I135 PolarHBondContact O-N 3.02Å; V132-I136 HydrophobicContact CG1-CD1 3.78Å; V132-I136 HydrophobicContact CG1-CG1 4.38Å; V132-I136 WeakPolarHBondContact O-CG1 3.34Å; V132-I136 PolarHBondContact O-N 3.46Å
133	I	80.1	Confident	80.5	Confident	22 Å²	22	70.1 Å²	70.1	11%	0.113	39%	0.385	C	S	.	.	H	α-helix	trans	-57.2	-47.6	176.8	-66.7	172	0	0	0	110.4	L129 I135 I136 C137 A175 I176	L129-I133 HydrophobicContact CD1-CD1 4.33Å; L129-I133 HydrophobicContact CD1-CG1 4.46Å; L129-I133 HydrophobicContact CD2-CD1 4.47Å; L129-I133 HydrophobicContact CG-CD1 3.88Å; L129-I133 HydrophobicContact CG-CG1 4.4Å; L129-I133 VanDerWaalsContact O-CG1 3.27Å; L129-I133 WeakPolarHBondContact O-CG1 3.48Å; L129-I133 PolarHBondContact O-N 2.8Å; I133-I135 VanDerWaalsContact C-N 3.31Å; I133-I135 PolarHBondContact O-N 2.94Å; I133-I136 PolarHBondContact O-N 2.79Å; I133-C137 WeakPolarHBondContact O-CB 3.36Å; I133-C137 PolarHBondContact O-N 3.17Å; I133-C137 PolarHBondContact O-SG 3.25Å; I133-C137 VanDerWaalsContact O-SG 3.35Å; I133-A175 HydrophobicContact CD1-CB 3.51Å; I133-A175 HydrophobicContact CG1-CB 3.41Å; I133-A175 VanDerWaalsContact CG1-CB 3.41Å; I133-I176 HydrophobicContact CD1-CG1 3.75Å
134	S	84.1	Confident	80	Confident	64 Å²	64	66.7 Å²	66.7	45%	0.448	37%	0.367	S	S	.	.	H	α-helix	trans	-59.4	-42.4	179.4	-59.8	0	0	0	0	111.8	S130 K131 V132 V138	S130-S134 WeakPolarHBondContact O-CB 3.48Å; S130-S134 PolarHBondContact O-N 2.97Å; S130-S134 PolarHBondContact O-OG 3.36Å; K131-S134 PolarHBondContact O-N 3.2Å; V132-S134 VanDerWaalsContact C-N 3.32Å; V132-S134 PolarHBondContact O-N 3.4Å; S134-V138 VanDerWaalsContact O-CG2 3.28Å; S134-V138 WeakPolarHBondContact O-CG2 3.26Å; S134-V138 PolarHBondContact O-N 3.29Å
135	I	85.8	Confident	79.5	Confident	116 Å²	116	66.3 Å²	66.3	60%	0.595	37%	0.366	S	S	*	.	H	α-helix	trans	-64.2	-45.9	176.9	-69	165.4	0	0	0	110.9	K131 V132 I133 V138 A139	K131-I135 VanDerWaalsContact O-CG1 3.3Å; K131-I135 WeakPolarHBondContact O-CG1 3.35Å; K131-I135 PolarHBondContact O-N 2.95Å; V132-I135 PolarHBondContact O-N 3.02Å; I133-I135 VanDerWaalsContact C-N 3.31Å; I133-I135 PolarHBondContact O-N 2.94Å; I135-V138 PolarHBondContact O-N 2.82Å; I135-A139 WeakPolarHBondContact O-CB 3.28Å; I135-A139 PolarHBondContact O-N 3.46Å
136	I	78.1	Confident	79.1	Confident	47 Å²	47	67.4 Å²	67.4	24%	0.241	39%	0.387	C	S	.	.	H	α-helix	trans	-65.7	-44.2	-179.6	-62.1	171.6	0	0	0	110.3	V132 I133 V138 A139 V140 L171 V644	V132-I136 HydrophobicContact CG1-CD1 3.78Å; V132-I136 HydrophobicContact CG1-CG1 4.38Å; V132-I136 WeakPolarHBondContact O-CG1 3.34Å; V132-I136 PolarHBondContact O-N 3.46Å; I133-I136 PolarHBondContact O-N 2.79Å; I136-V138 VanDerWaalsContact C-N 3.33Å; I136-V138 PolarHBondContact O-N 3.47Å; I136-A139 PolarHBondContact O-N 3.05Å; I136-A139 VanDerWaalsContact O-N 3.16Å; I136-V140 HydrophobicContact CG2-CG2 4.14Å; I136-V140 WeakPolarHBondContact O-CB 3.23Å; I136-V140 WeakPolarHBondContact O-CG2 3.48Å; I136-V140 PolarHBondContact O-N 2.86Å; I136-L171 HydrophobicContact CB-CD2 4.1Å; I136-L171 HydrophobicContact CG2-CD1 3.91Å; I136-L171 HydrophobicContact CG2-CD2 3.56Å; I136-L171 HydrophobicContact CG2-CG 4.28Å; I136-V644 HydrophobicContact CD1-CG1 4Å; I136-V644 HydrophobicContact CG2-CG1 4.48Å
137	C	78.2	Confident	78.5	Confident	36 Å²	36	70.1 Å²	70.1	24%	0.243	39%	0.39	C	S	.	.	H	α-helix	trans	-57.3	-44.9	175.4	-74.4	0	0	0	0	111.9	I133 W141 L171	I133-C137 WeakPolarHBondContact O-CB 3.36Å; I133-C137 PolarHBondContact O-N 3.17Å; I133-C137 PolarHBondContact O-SG 3.25Å; I133-C137 VanDerWaalsContact O-SG 3.35Å; C137-W141 VanDerWaalsContact O-CB 3.31Å; C137-W141 WeakPolarHBondContact O-CB 3.39Å; C137-W141 PolarHBondContact O-N 3.19Å; C137-L171 VanDerWaalsContact SG-CD2 3.56Å
138	V	82.5	Confident	77.6	Confident	94 Å²	94	65.3 Å²	65.3	57%	0.57	37%	0.367	S	S	*	.	H	α-helix	trans	-66.2	-40.4	176.3	171.8	0	0	0	0	111.4	S134 I135 I136 W141 A142	S134-V138 VanDerWaalsContact O-CG2 3.28Å; S134-V138 WeakPolarHBondContact O-CG2 3.26Å; S134-V138 PolarHBondContact O-N 3.29Å; I135-V138 PolarHBondContact O-N 2.82Å; I136-V138 VanDerWaalsContact C-N 3.33Å; I136-V138 PolarHBondContact O-N 3.47Å; V138-W141 PolarHBondContact O-N 3.46Å; V138-A142 VanDerWaalsContact O-CB 3.27Å; V138-A142 WeakPolarHBondContact O-CB 3.29Å; V138-A142 PolarHBondContact O-N 3.12Å
139	A	78.6	Confident	76.7	Confident	41 Å²	41	64.4 Å²	64.4	34%	0.339	37%	0.373	S	S	.	.	H	α-helix	trans	-64.3	-46.7	178	0	0	0	0	0	111.8	I135 I136 W141 A142 I143	I135-A139 WeakPolarHBondContact O-CB 3.28Å; I135-A139 PolarHBondContact O-N 3.46Å; I136-A139 PolarHBondContact O-N 3.05Å; I136-A139 VanDerWaalsContact O-N 3.16Å; A139-W141 VanDerWaalsContact C-N 3.33Å; A139-W141 PolarHBondContact O-N 3.1Å; A139-A142 PolarHBondContact O-N 3.27Å; A139-I143 VanDerWaalsContact O-CG1 3.26Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 2.98Å
140	V	73.8	Confident	76.1	Confident	10 Å²	10	64.3 Å²	64.3	6%	0.061	37%	0.373	C	S	.	.	H	α-helix	trans	-61	-44.3	175.6	172.3	0	0	0	0	110.3	I136 N144 I167 L171 F648	I136-V140 HydrophobicContact CG2-CG2 4.14Å; I136-V140 WeakPolarHBondContact O-CB 3.23Å; I136-V140 WeakPolarHBondContact O-CG2 3.48Å; I136-V140 PolarHBondContact O-N 2.86Å; V140-N144 WeakPolarHBondContact CG1-ND2 3.47Å; V140-N144 VanDerWaalsContact O-CB 3.23Å; V140-N144 WeakPolarHBondContact O-CB 3.36Å; V140-N144 PolarHBondContact O-N 2.84Å; V140-N144 VanDerWaalsContact O-N 3.12Å; V140-N144 PolarHBondContact O-ND2 3.36Å; V140-I167 HydrophobicContact CG1-CG2 4.09Å; V140-L171 HydrophobicContact CG2-CD1 4.3Å; V140-F648 HydrophobicContact CG2-CD2 3.77Å; V140-F648 HydrophobicContact CG2-CE2 4.12Å
141	W	76	Confident	74.9	Confident	140 Å²	140	64.7 Å²	64.7	53%	0.53	37%	0.374	S	S	.	.	H	α-helix	trans	-61.9	-44.1	175.8	-178.5	78.7	0	0	0	112.2	C137 V138 A139 N144 I145 F148	C137-W141 VanDerWaalsContact O-CB 3.31Å; C137-W141 WeakPolarHBondContact O-CB 3.39Å; C137-W141 PolarHBondContact O-N 3.19Å; V138-W141 PolarHBondContact O-N 3.46Å; A139-W141 VanDerWaalsContact C-N 3.33Å; A139-W141 PolarHBondContact O-N 3.1Å; W141-N144 PolarHBondContact O-N 3.14Å; W141-I145 HydrophobicContact CH2-CD1 3.49Å; W141-I145 VanDerWaalsContact CH2-CD1 3.49Å; W141-I145 HydrophobicContact CZ2-CD1 3.42Å; W141-I145 VanDerWaalsContact CZ2-CD1 3.42Å; W141-I145 HydrophobicContact CZ2-CG1 4.33Å; W141-I145 HydrophobicContact CZ3-CD1 4.11Å; W141-I145 PolarHBondContact O-N 2.85Å; W141-F148 AromaticContact CD1-CZ 3.86Å; W141-F148 AromaticContact NE1-CZ 3.77Å
142	A	78.9	Confident	73.5	Confident	54 Å²	54	60.1 Å²	60.1	45%	0.446	36%	0.357	S	S	.	.	H	α-helix	trans	-65.9	-40	-179.8	0	0	0	0	0	113	V138 A139 N144 I145	V138-A142 VanDerWaalsContact O-CB 3.27Å; V138-A142 WeakPolarHBondContact O-CB 3.29Å; V138-A142 PolarHBondContact O-N 3.12Å; A139-A142 PolarHBondContact O-N 3.27Å; A142-N144 VanDerWaalsContact C-N 3.25Å; A142-N144 PolarHBondContact O-N 3.37Å; A142-I145 WeakPolarHBondContact O-CG2 3.48Å
143	I	74.5	Confident	72.4	Confident	95 Å²	95	57.5 Å²	57.5	49%	0.487	34%	0.34	S	S	.	.	H	α-helix	trans	-63.1	-38.1	174.7	-68.6	164.7	0	0	0	110.2	A139 F648	A139-I143 VanDerWaalsContact O-CG1 3.26Å; A139-I143 WeakPolarHBondContact O-CG1 3.44Å; A139-I143 PolarHBondContact O-N 2.98Å; I143-F648 HydrophobicContact CD1-CE2 4.17Å; I143-F648 HydrophobicContact CD1-CZ 4.32Å
144	N	70.9	Confident	71.3	Confident	10 Å²	10	59 Å²	59	5%	0.053	36%	0.362	C	S	.	.	H	α-helix	trans	-92.9	-14.5	-170.3	-76.8	-53.3	0	0	0	115.3	V140 W141 A142 G146 H147 F148 Y164	V140-N144 WeakPolarHBondContact CG1-ND2 3.47Å; V140-N144 VanDerWaalsContact O-CB 3.23Å; V140-N144 WeakPolarHBondContact O-CB 3.36Å; V140-N144 PolarHBondContact O-N 2.84Å; V140-N144 VanDerWaalsContact O-N 3.12Å; V140-N144 PolarHBondContact O-ND2 3.36Å; W141-N144 PolarHBondContact O-N 3.14Å; A142-N144 VanDerWaalsContact C-N 3.25Å; A142-N144 PolarHBondContact O-N 3.37Å; N144-G146 PolarHBondContact O-N 2.99Å; N144-G146 VanDerWaalsContact O-N 3.09Å; N144-H147 WeakPolarHBondContact O-CA 3.27Å; N144-H147 PolarHBondContact O-N 3.24Å; N144-F148 HydrophobicContact CB-CE1 4.34Å; N144-F148 WeakPolarHBondContact O-CD1 3.35Å; N144-F148 PolarHBondContact O-N 2.79Å; N144-Y164 HydrophobicContact CB-CD1 3.55Å; N144-Y164 HydrophobicContact CB-CD2 4.39Å; N144-Y164 HydrophobicContact CB-CE1 3.21Å; N144-Y164 HydrophobicContact CB-CE2 4.07Å; N144-Y164 HydrophobicContact CB-CG 4.14Å; N144-Y164 VanDerWaalsContact CB-CZ 3.45Å; N144-Y164 WeakPolarHBondContact ND2-CE1 3.44Å; N144-Y164 WeakPolarHBondContact OD1-CE1 3.44Å; N144-Y164 PolarHBondContact OD1-OH 3.49Å; N144-Y164 VanDerWaalsContact OD1-OH 3.13Å
145	I	74.5	Confident	70.1	Confident	76 Å²	76	59 Å²	59	39%	0.39	37%	0.371	S	S	.	.	G	3₁₀ helix	trans	-57.6	-30.4	-177.5	-156.8	171.2	0	0	0	112.8	W141 A142 H147 F148	W141-I145 HydrophobicContact CH2-CD1 3.49Å; W141-I145 VanDerWaalsContact CH2-CD1 3.49Å; W141-I145 HydrophobicContact CZ2-CD1 3.42Å; W141-I145 VanDerWaalsContact CZ2-CD1 3.42Å; W141-I145 HydrophobicContact CZ2-CG1 4.33Å; W141-I145 HydrophobicContact CZ3-CD1 4.11Å; W141-I145 PolarHBondContact O-N 2.85Å; A142-I145 WeakPolarHBondContact O-CG2 3.48Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 2.92Å; I145-F148 WeakPolarHBondContact O-CB 3.31Å; I145-F148 PolarHBondContact O-N 3.39Å
146	G	68.8	Low	69.3	Low	55 Å²	55	56.4 Å²	56.4	57%	0.567	36%	0.363	S	S	*	.	G	3₁₀ helix	trans	-66.4	-26.6	175.1	0	0	0	0	0	113.9	N144	N144-G146 PolarHBondContact O-N 2.99Å; N144-G146 VanDerWaalsContact O-N 3.09Å
147	H	68.5	Low	69.1	Low	91 Å²	91	62 Å²	62	42%	0.421	38%	0.381	S	S	.	.	G	3₁₀ helix	trans	-90.1	-1.7	177.3	-74.6	-82.5	0	0	0	113.2	N144 I145 S149 D150 Y164	N144-H147 WeakPolarHBondContact O-CA 3.27Å; N144-H147 PolarHBondContact O-N 3.24Å; I145-H147 VanDerWaalsContact C-N 3.27Å; I145-H147 PolarHBondContact O-N 2.92Å; H147-S149 PolarHBondContact O-N 3.45Å; H147-D150 HydrophobicContact CB-CB 4.49Å; H147-D150 IonicContact CE1-OD2 3.55Å; H147-D150 IonicContact CG-OD2 3.85Å; H147-D150 IonicContact ND1-OD2 2.76Å; H147-D150 PolarHBondContact ND1-OD2 2.87Å; H147-D150 VanDerWaalsContact O-CB 3.31Å; H147-D150 WeakPolarHBondContact O-CB 3.34Å; H147-D150 PolarHBondContact O-N 2.99Å; H147-D150 VanDerWaalsContact O-N 3.12Å; H147-Y164 HydrophobicContact CB-CE2 4.44Å; H147-Y164 VanDerWaalsContact CB-OH 3.25Å; H147-Y164 WeakPolarHBondContact CB-OH 3.47Å
148	F	67.2	Low	69	Low	11 Å²	11	66.1 Å²	66.1	5%	0.048	40%	0.4	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.5	-25.8	177.2	-79.9	35.7	0	0	0	112.1	W141 N144 I145 W157 A161 Y164	W141-F148 AromaticContact CD1-CZ 3.86Å; W141-F148 AromaticContact NE1-CZ 3.77Å; N144-F148 HydrophobicContact CB-CE1 4.34Å; N144-F148 WeakPolarHBondContact O-CD1 3.35Å; N144-F148 PolarHBondContact O-N 2.79Å; I145-F148 WeakPolarHBondContact O-CB 3.31Å; I145-F148 PolarHBondContact O-N 3.39Å; F148-W157 AromaticContact CD2-CE2 3.99Å; F148-W157 HydrophobicContact CD2-CZ2 4.11Å; F148-W157 AromaticContact CD2-NE1 3.9Å; F148-A161 HydrophobicContact CE2-CB 4.3Å; F148-Y164 AromaticContact CD1-CD2 3.33Å; F148-Y164 HydrophobicContact CD1-CD2 3.33Å; F148-Y164 AromaticContact CD1-CE2 3.51Å; F148-Y164 HydrophobicContact CD1-CE2 3.51Å; F148-Y164 HydrophobicContact CD1-CG 4.26Å; F148-Y164 HydrophobicContact CE1-CD1 4.44Å; F148-Y164 AromaticContact CE1-CD2 2.99Å; F148-Y164 HydrophobicContact CE1-CD2 2.99Å; F148-Y164 AromaticContact CE1-CE2 3.58Å; F148-Y164 HydrophobicContact CE1-CE2 3.58Å; F148-Y164 AromaticContact CE1-CG 3.48Å; F148-Y164 HydrophobicContact CE1-CG 3.48Å; F148-Y164 VanDerWaalsContact CE1-CG 3.48Å; F148-Y164 HydrophobicContact CG-CD2 4.37Å; F148-Y164 AromaticContact CZ-CD2 3.78Å; F148-Y164 HydrophobicContact CZ-CD2 3.78Å; F148-Y164 HydrophobicContact CZ-CG 4.04Å
149	S	62.9	Low	68.6	Low	91 Å²	91	69.8 Å²	69.8	64%	0.636	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	6.2	175.9	51.9	0	0	0	0	113.6	H147	H147-S149 PolarHBondContact O-N 3.45Å
150	D	64.2	Low	68.4	Low	39 Å²	39	67.8 Å²	67.8	21%	0.209	39%	0.387	C	S	.	.			trans	-67.7	136.2	-173.2	-131.1	-3.2	0	0	0	110.7	H147 A152 H153 R747	H147-D150 HydrophobicContact CB-CB 4.49Å; H147-D150 IonicContact CE1-OD2 3.55Å; H147-D150 IonicContact CG-OD2 3.85Å; H147-D150 IonicContact ND1-OD2 2.76Å; H147-D150 PolarHBondContact ND1-OD2 2.87Å; H147-D150 VanDerWaalsContact O-CB 3.31Å; H147-D150 WeakPolarHBondContact O-CB 3.34Å; H147-D150 PolarHBondContact O-N 2.99Å; H147-D150 VanDerWaalsContact O-N 3.12Å; D150-A152 PolarHBondContact O-N 3.32Å; D150-H153 PolarHBondContact O-N 3.43Å; D150-H153 VanDerWaalsContact O-N 3.09Å; D150-R747 IonicContact OD1-NH2 3.57Å; D150-R747 IonicContact OD2-NH2 3.92Å
151	P	59.2	Low	68.6	Low	77 Å²	77	68.9 Å²	68.9	50%	0.5	40%	0.397	S	S	.	.	G	3₁₀ helix	trans	-56.7	-23.4	-177.3	-23.4	32.1	0	0	0	113.7	H153 G154 I750	P151-H153 PolarHBondContact O-N 2.89Å; P151-H153 VanDerWaalsContact O-N 3.14Å; P151-G154 PolarHBondContact O-N 2.88Å; P151-I750 WeakPolarHBondContact O-CD1 3.46Å
152	A	55.7	Low	68.8	Low	18 Å²	18	67.4 Å²	67.4	15%	0.149	40%	0.398	C	S	.	.	G	3₁₀ helix	trans	-53.4	-28.7	176	0	0	0	0	0	113.9	D150 G154 M746 R747	D150-A152 PolarHBondContact O-N 3.32Å; A152-G154 VanDerWaalsContact C-N 3.26Å; A152-G154 PolarHBondContact O-N 3.35Å; A152-M746 HydrophobicContact CB-CB 3.96Å; A152-R747 HydrophobicContact CB-CG 3.88Å
153	H	58.3	Low	68.6	Low	20 Å²	20	66.3 Å²	66.3	9%	0.093	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-88.3	14.1	177.1	-61.3	95.1	0	0	0	113.4	D150 P151 G155 R159	D150-H153 PolarHBondContact O-N 3.43Å; D150-H153 VanDerWaalsContact O-N 3.09Å; P151-H153 PolarHBondContact O-N 2.89Å; P151-H153 VanDerWaalsContact O-N 3.14Å; H153-G155 VanDerWaalsContact C-N 3.32Å; H153-R159 HydrophobicContact CB-CB 4.29Å
154	G	56.7	Low	68.7	Low	55 Å²	55	63 Å²	63	57%	0.567	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	72	23.1	-175.3	0	0	0	0	0	113.7	P151 A152 S156	P151-G154 PolarHBondContact O-N 2.88Å; A152-G154 VanDerWaalsContact C-N 3.26Å; A152-G154 PolarHBondContact O-N 3.35Å; G154-S156 PolarHBondContact O-N 2.98Å
155	G	58.6	Low	69.1	Low	62 Å²	62	69.4 Å²	69.4	64%	0.639	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.7	4.7	-177.2	0	0	0	0	0	115.2	H153	H153-G155 VanDerWaalsContact C-N 3.32Å
156	S	68.3	Low	69.4	Low	62 Å²	62	70 Å²	70	43%	0.434	39%	0.392	S	S	.	.			trans	-95.2	107.8	178.2	-78.5	0	0	0	0	111.3	G154 I158 R159	G154-S156 PolarHBondContact O-N 2.98Å; S156-I158 PolarHBondContact O-N 2.76Å; S156-R159 PolarHBondContact O-N 3.22Å
157	W	74.5	Confident	69.8	Low	164 Å²	164	67.9 Å²	67.9	62%	0.621	37%	0.367	S	S	*	.	H	α-helix	trans	-52.1	-31.4	176.3	-157.3	67.9	0	0	0	113	F148 A161	F148-W157 AromaticContact CD2-CE2 3.99Å; F148-W157 HydrophobicContact CD2-CZ2 4.11Å; F148-W157 AromaticContact CD2-NE1 3.9Å; W157-A161 WeakPolarHBondContact O-CB 3.29Å; W157-A161 PolarHBondContact O-N 2.93Å
158	I	77.1	Confident	70.4	Confident	123 Å²	123	65.3 Å²	65.3	63%	0.631	36%	0.362	S	S	*	.	H	α-helix	trans	-62.5	-41.2	175.6	-79.1	166.7	0	0	0	112.8	S156 A161 I162	S156-I158 PolarHBondContact O-N 2.76Å; I158-A161 PolarHBondContact O-N 3.4Å; I158-I162 HydrophobicContact CG2-CD1 3.88Å; I158-I162 VanDerWaalsContact O-CG1 3.3Å; I158-I162 WeakPolarHBondContact O-CG1 3.32Å; I158-I162 PolarHBondContact O-N 2.69Å
159	R	72.5	Confident	71.1	Confident	171 Å²	171	67.7 Å²	67.7	65%	0.645	38%	0.377	S	S	*	.	H	α-helix	trans	-69	-42.8	-179	-80.2	-173	176.7	179	-1.8	111.2	H153 S156 I162 Y163	H153-R159 HydrophobicContact CB-CB 4.29Å; S156-R159 PolarHBondContact O-N 3.22Å; R159-I162 PolarHBondContact O-N 3.5Å; R159-Y163 PolarHBondContact O-N 3.07Å
160	G	75.2	Confident	72	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	35%	0.349	C	S	.	.	H	α-helix	trans	-59.4	-45.5	171.9	0	0	0	0	0	111.8	I162 Y163 Y164	G160-I162 PolarHBondContact O-N 3.23Å; G160-Y163 PolarHBondContact O-N 3.08Å; G160-Y164 WeakPolarHBondContact O-CD2 3.39Å; G160-Y164 PolarHBondContact O-N 3Å
161	A	78.3	Confident	72.9	Confident	33 Å²	33	61.9 Å²	61.9	27%	0.273	34%	0.34	S	S	.	.	H	α-helix	trans	-60.4	-41.3	177.2	0	0	0	0	0	113	F148 W157 I158 F165	F148-A161 HydrophobicContact CE2-CB 4.3Å; W157-A161 WeakPolarHBondContact O-CB 3.29Å; W157-A161 PolarHBondContact O-N 2.93Å; I158-A161 PolarHBondContact O-N 3.4Å; A161-F165 WeakPolarHBondContact O-CB 3.49Å; A161-F165 PolarHBondContact O-N 3.3Å
162	I	80	Confident	74.1	Confident	109 Å²	109	59.6 Å²	59.6	56%	0.559	33%	0.328	S	S	*	.	H	α-helix	trans	-63.9	-42.6	176.1	-69.6	166.7	0	0	0	111	I158 R159 G160 F165 K166	I158-I162 HydrophobicContact CG2-CD1 3.88Å; I158-I162 VanDerWaalsContact O-CG1 3.3Å; I158-I162 WeakPolarHBondContact O-CG1 3.32Å; I158-I162 PolarHBondContact O-N 2.69Å; R159-I162 PolarHBondContact O-N 3.5Å; G160-I162 PolarHBondContact O-N 3.23Å; I162-F165 PolarHBondContact O-N 3.48Å; I162-K166 WeakPolarHBondContact O-CB 3.07Å; I162-K166 PolarHBondContact O-N 3.04Å
163	Y	74.5	Confident	75.5	Confident	30 Å²	30	59.8 Å²	59.8	12%	0.118	33%	0.327	C	S	.	.	H	α-helix	trans	-61.7	-49.4	178.6	-179.7	-105.2	0	0	0	111.7	R159 G160 F165 K166 I167 E657 M746	R159-Y163 PolarHBondContact O-N 3.07Å; G160-Y163 PolarHBondContact O-N 3.08Å; Y163-F165 VanDerWaalsContact C-N 3.31Å; Y163-F165 PolarHBondContact O-N 2.99Å; Y163-K166 WeakPolarHBondContact O-CB 3.33Å; Y163-K166 PolarHBondContact O-N 3.38Å; Y163-K166 VanDerWaalsContact O-N 3.13Å; Y163-I167 HydrophobicContact CD1-CD1 3.93Å; Y163-I167 HydrophobicContact CE1-CD1 3.35Å; Y163-I167 HydrophobicContact CE1-CG1 4.35Å; Y163-I167 HydrophobicContact CE2-CD1 4.48Å; Y163-I167 PolarHBondContact O-N 3.41Å; Y163-E657 HydrophobicContact CE2-CG 4.34Å; Y163-E657 WeakPolarHBondContact CE2-OE1 3.3Å; Y163-M746 HydrophobicContact CD1-CE 3.95Å; Y163-M746 HydrophobicContact CD2-CE 4.03Å; Y163-M746 HydrophobicContact CE1-CE 3.63Å; Y163-M746 HydrophobicContact CE2-CE 3.74Å; Y163-M746 HydrophobicContact CG-CE 4.13Å
164	Y	76.7	Confident	76.8	Confident	25 Å²	25	58.9 Å²	58.9	10%	0.098	32%	0.323	C	S	.	.	H	α-helix	trans	-70.4	-27.9	178.3	-70.1	-63.9	0	0	0	113.4	N144 H147 F148 G160 I167 A168	N144-Y164 HydrophobicContact CB-CD1 3.55Å; N144-Y164 HydrophobicContact CB-CD2 4.39Å; N144-Y164 HydrophobicContact CB-CE1 3.21Å; N144-Y164 HydrophobicContact CB-CE2 4.07Å; N144-Y164 HydrophobicContact CB-CG 4.14Å; N144-Y164 VanDerWaalsContact CB-CZ 3.45Å; N144-Y164 WeakPolarHBondContact ND2-CE1 3.44Å; N144-Y164 WeakPolarHBondContact OD1-CE1 3.44Å; N144-Y164 PolarHBondContact OD1-OH 3.49Å; N144-Y164 VanDerWaalsContact OD1-OH 3.13Å; H147-Y164 HydrophobicContact CB-CE2 4.44Å; H147-Y164 VanDerWaalsContact CB-OH 3.25Å; H147-Y164 WeakPolarHBondContact CB-OH 3.47Å; F148-Y164 AromaticContact CD1-CD2 3.33Å; F148-Y164 HydrophobicContact CD1-CD2 3.33Å; F148-Y164 AromaticContact CD1-CE2 3.51Å; F148-Y164 HydrophobicContact CD1-CE2 3.51Å; F148-Y164 HydrophobicContact CD1-CG 4.26Å; F148-Y164 HydrophobicContact CE1-CD1 4.44Å; F148-Y164 AromaticContact CE1-CD2 2.99Å; F148-Y164 HydrophobicContact CE1-CD2 2.99Å; F148-Y164 AromaticContact CE1-CE2 3.58Å; F148-Y164 HydrophobicContact CE1-CE2 3.58Å; F148-Y164 AromaticContact CE1-CG 3.48Å; F148-Y164 HydrophobicContact CE1-CG 3.48Å; F148-Y164 VanDerWaalsContact CE1-CG 3.48Å; F148-Y164 HydrophobicContact CG-CD2 4.37Å; F148-Y164 AromaticContact CZ-CD2 3.78Å; F148-Y164 HydrophobicContact CZ-CD2 3.78Å; F148-Y164 HydrophobicContact CZ-CG 4.04Å; G160-Y164 WeakPolarHBondContact O-CD2 3.39Å; G160-Y164 PolarHBondContact O-N 3Å; Y164-I167 HydrophobicContact CD1-CD1 4.03Å; Y164-I167 HydrophobicContact CE1-CD1 4.24Å; Y164-I167 PolarHBondContact O-N 3.21Å; Y164-A168 WeakPolarHBondContact O-CB 3.34Å; Y164-A168 PolarHBondContact O-N 3.08Å
165	F	79.8	Confident	78.2	Confident	146 Å²	146	56.7 Å²	56.7	64%	0.64	30%	0.299	S	S	*	.	H	α-helix	trans	-65.1	-42.4	168.7	-176.1	-98.4	0	0	0	111.5	A161 I162 Y163 I167 A168 V169	A161-F165 WeakPolarHBondContact O-CB 3.49Å; A161-F165 PolarHBondContact O-N 3.3Å; I162-F165 PolarHBondContact O-N 3.48Å; Y163-F165 VanDerWaalsContact C-N 3.31Å; Y163-F165 PolarHBondContact O-N 2.99Å; F165-I167 PolarHBondContact O-N 2.95Å; F165-A168 WeakPolarHBondContact O-CB 3.43Å; F165-A168 PolarHBondContact O-N 3.33Å; F165-V169 HydrophobicContact CD1-CG2 4.22Å; F165-V169 HydrophobicContact CE1-CG2 3.82Å; F165-V169 HydrophobicContact CZ-CG2 4.07Å; F165-V169 WeakPolarHBondContact O-CG2 3.4Å; F165-V169 PolarHBondContact O-N 3.45Å
166	K	80.1	Confident	79.5	Confident	87 Å²	87	57.4 Å²	57.4	38%	0.378	29%	0.288	S	S	.	.	H	α-helix	trans	-61	-43.4	174.6	-173.7	-175.2	173.1	-158	0	111.5	I162 Y163 A168 V169 A170 E657	I162-K166 WeakPolarHBondContact O-CB 3.07Å; I162-K166 PolarHBondContact O-N 3.04Å; Y163-K166 WeakPolarHBondContact O-CB 3.33Å; Y163-K166 PolarHBondContact O-N 3.38Å; Y163-K166 VanDerWaalsContact O-N 3.13Å; K166-A168 VanDerWaalsContact C-N 3.34Å; K166-A168 PolarHBondContact O-N 3.49Å; K166-V169 PolarHBondContact O-N 2.92Å; K166-A170 WeakPolarHBondContact O-CB 3.07Å; K166-A170 PolarHBondContact O-N 3.5Å; K166-E657 WeakPolarHBondContact CD-OE1 3.44Å; K166-E657 WeakPolarHBondContact CE-OE1 3.17Å; K166-E657 WeakPolarHBondContact CE-OE2 3.17Å; K166-E657 IonicContact NZ-OE1 3.44Å; K166-E657 PolarHBondContact NZ-OE1 3.46Å; K166-E657 IonicContact NZ-OE2 2.73Å; K166-E657 PolarHBondContact NZ-OE2 2.79Å
167	I	78.3	Confident	80.2	Confident	11 Å²	11	55.1 Å²	55.1	6%	0.056	27%	0.271	C	S	.	.	H	α-helix	trans	-60.4	-43.9	173.4	-69.4	175.1	0	0	0	110.9	V140 Y163 Y164 F165 V169 A170 L171 I647 A651	V140-I167 HydrophobicContact CG1-CG2 4.09Å; Y163-I167 HydrophobicContact CD1-CD1 3.93Å; Y163-I167 HydrophobicContact CE1-CD1 3.35Å; Y163-I167 HydrophobicContact CE1-CG1 4.35Å; Y163-I167 HydrophobicContact CE2-CD1 4.48Å; Y163-I167 PolarHBondContact O-N 3.41Å; Y164-I167 HydrophobicContact CD1-CD1 4.03Å; Y164-I167 HydrophobicContact CE1-CD1 4.24Å; Y164-I167 PolarHBondContact O-N 3.21Å; F165-I167 PolarHBondContact O-N 2.95Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.3Å; I167-A170 PolarHBondContact O-N 3.25Å; I167-L171 VanDerWaalsContact O-CB 3.27Å; I167-L171 WeakPolarHBondContact O-CB 3.11Å; I167-L171 PolarHBondContact O-N 3.29Å; I167-I647 HydrophobicContact CG2-CG2 4.12Å; I167-A651 HydrophobicContact CD1-CB 3.93Å; I167-A651 HydrophobicContact CG2-CB 4.17Å
168	A	80.1	Confident	80.8	Confident	37 Å²	37	50.8 Å²	50.8	31%	0.306	26%	0.258	S	S	.	.	H	α-helix	trans	-62.3	-40.5	178.4	0	0	0	0	0	112.2	Y164 F165 K166 L171 A172	Y164-A168 WeakPolarHBondContact O-CB 3.34Å; Y164-A168 PolarHBondContact O-N 3.08Å; F165-A168 WeakPolarHBondContact O-CB 3.43Å; F165-A168 PolarHBondContact O-N 3.33Å; K166-A168 VanDerWaalsContact C-N 3.34Å; K166-A168 PolarHBondContact O-N 3.49Å; A168-L171 PolarHBondContact O-N 3.31Å; A168-A172 WeakPolarHBondContact O-CB 3.31Å; A168-A172 PolarHBondContact O-N 3.47Å
169	V	81.4	Confident	81.1	Confident	62 Å²	62	45 Å²	45	38%	0.376	23%	0.229	S	C	.	.	H	α-helix	trans	-64.4	-46.1	174.1	173.1	0	0	0	0	110.9	F165 K166 I167 L171 A172 V173	F165-V169 HydrophobicContact CD1-CG2 4.22Å; F165-V169 HydrophobicContact CE1-CG2 3.82Å; F165-V169 HydrophobicContact CZ-CG2 4.07Å; F165-V169 WeakPolarHBondContact O-CG2 3.4Å; F165-V169 PolarHBondContact O-N 3.45Å; K166-V169 PolarHBondContact O-N 2.92Å; I167-V169 VanDerWaalsContact C-N 3.34Å; I167-V169 PolarHBondContact O-N 3.3Å; V169-L171 VanDerWaalsContact C-N 3.32Å; V169-L171 PolarHBondContact O-N 3.43Å; V169-A172 PolarHBondContact O-N 2.82Å; V169-V173 WeakPolarHBondContact O-CG2 3.44Å; V169-V173 PolarHBondContact O-N 2.88Å
170	A	83	Confident	81.8	Confident	5 Å²	5	37.4 Å²	37.4	4%	0.041	20%	0.201	C	C	.	.	H	α-helix	trans	-59.8	-43.6	177.3	0	0	0	0	0	111.6	K166 I167 V173 A174 I647 P661	K166-A170 WeakPolarHBondContact O-CB 3.07Å; K166-A170 PolarHBondContact O-N 3.5Å; I167-A170 PolarHBondContact O-N 3.25Å; A170-V173 PolarHBondContact O-N 2.85Å; A170-A174 WeakPolarHBondContact O-CB 3.18Å; A170-A174 PolarHBondContact O-N 3.11Å; A170-I647 VanDerWaalsContact C-CD1 3.43Å; A170-I647 HydrophobicContact CB-CD1 3.86Å; A170-I647 VanDerWaalsContact O-CD1 3.29Å; A170-I647 WeakPolarHBondContact O-CD1 3.46Å; A170-P661 HydrophobicContact CB-CG 3.82Å
171	L	83.5	Confident	82.4	Confident	2 Å²	2	41.6 Å²	41.6	1%	0.01	23%	0.228	C	C	.	.	H	α-helix	trans	-66.7	-37.1	178.6	-168.1	119.8	0	0	0	112.3	I136 C137 V140 I167 A168 V169 A175 V644 I647	I136-L171 HydrophobicContact CB-CD2 4.1Å; I136-L171 HydrophobicContact CG2-CD1 3.91Å; I136-L171 HydrophobicContact CG2-CD2 3.56Å; I136-L171 HydrophobicContact CG2-CG 4.28Å; C137-L171 VanDerWaalsContact SG-CD2 3.56Å; V140-L171 HydrophobicContact CG2-CD1 4.3Å; I167-L171 VanDerWaalsContact O-CB 3.27Å; I167-L171 WeakPolarHBondContact O-CB 3.11Å; I167-L171 PolarHBondContact O-N 3.29Å; A168-L171 PolarHBondContact O-N 3.31Å; V169-L171 VanDerWaalsContact C-N 3.32Å; V169-L171 PolarHBondContact O-N 3.43Å; L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 3.36Å; L171-A175 VanDerWaalsContact O-N 3.11Å; L171-V644 HydrophobicContact CD1-CG1 4.32Å; L171-I647 HydrophobicContact CB-CG2 4.25Å; L171-I647 HydrophobicContact CD1-CB 4.44Å; L171-I647 HydrophobicContact CD1-CG2 4.03Å
172	A	83.5	Confident	82.9	Confident	30 Å²	30	42.7 Å²	42.7	25%	0.248	24%	0.237	C	C	.	.	H	α-helix	trans	-64.7	-45.2	174.1	0	0	0	0	0	111.7	A168 V169 A175 I176	A168-A172 WeakPolarHBondContact O-CB 3.31Å; A168-A172 PolarHBondContact O-N 3.47Å; V169-A172 PolarHBondContact O-N 2.82Å; A172-A175 PolarHBondContact O-N 2.85Å; A172-I176 WeakPolarHBondContact O-CG1 3.38Å; A172-I176 PolarHBondContact O-N 3.27Å
173	V	85.5	Confident	83.4	Confident	22 Å²	22	37.7 Å²	37.7	13%	0.133	21%	0.212	C	C	.	.	H	α-helix	trans	-63.9	-42.4	176.5	173.7	0	0	0	0	111.1	V169 A170 A175 I176 L664 L665	V169-V173 WeakPolarHBondContact O-CG2 3.44Å; V169-V173 PolarHBondContact O-N 2.88Å; A170-V173 PolarHBondContact O-N 2.85Å; V173-A175 PolarHBondContact O-N 3Å; V173-I176 PolarHBondContact O-N 2.93Å; V173-L664 HydrophobicContact CG1-CB 4.3Å; V173-L665 HydrophobicContact CG1-CB 4.36Å
174	A	85.9	Confident	84.1	Confident	0 Å²	0	36.9 Å²	36.9	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-61.5	-31.1	177.2	0	0	0	0	0	113.4	A170 N640 E643 V644 I647 L664	A170-A174 WeakPolarHBondContact O-CB 3.18Å; A170-A174 PolarHBondContact O-N 3.11Å; A174-N640 WeakPolarHBondContact O-CA 3.16Å; A174-N640 WeakPolarHBondContact O-CB 3.34Å; A174-N640 PolarHBondContact O-ND2 2.8Å; A174-E643 WeakPolarHBondContact CA-OE2 3.16Å; A174-E643 HydrophobicContact CB-CB 3.79Å; A174-V644 HydrophobicContact CB-CG2 4.03Å; A174-I647 HydrophobicContact CB-CD1 3.54Å; A174-L664 HydrophobicContact CB-CD1 4.07Å
175	A	85.5	Confident	84.8	Confident	9 Å²	9	39.4 Å²	39.4	7%	0.074	23%	0.227	C	C	.	.	H	α-helix	trans	-89.8	-21.3	-174.7	0	0	0	0	0	113.9	I133 L171 A172 V173 P177 V644	I133-A175 HydrophobicContact CD1-CB 3.51Å; I133-A175 HydrophobicContact CG1-CB 3.41Å; I133-A175 VanDerWaalsContact CG1-CB 3.41Å; L171-A175 WeakPolarHBondContact O-CB 3.38Å; L171-A175 PolarHBondContact O-N 3.36Å; L171-A175 VanDerWaalsContact O-N 3.11Å; A172-A175 PolarHBondContact O-N 2.85Å; V173-A175 PolarHBondContact O-N 3Å; A175-P177 WeakPolarHBondContact O-CD 3.13Å; A175-V644 HydrophobicContact CB-CG2 3.64Å
176	I	85.5	Confident	85.3	Confident	78 Å²	78	35.3 Å²	35.3	40%	0.4	22%	0.215	S	C	.	.	S	Bend	trans	-92.5	120.2	-177.3	-63.1	169.9	0	0	0	109.4	I133 A172 V173 E178 N640	I133-I176 HydrophobicContact CD1-CG1 3.75Å; A172-I176 WeakPolarHBondContact O-CG1 3.38Å; A172-I176 PolarHBondContact O-N 3.27Å; V173-I176 PolarHBondContact O-N 2.93Å; I176-E178 VanDerWaalsContact C-N 3.28Å; I176-E178 HydrophobicContact CG2-CG 4.03Å; I176-E178 PolarHBondContact O-N 2.91Å; I176-N640 PolarHBondContact O-ND2 3.11Å
177	P	84.3	Confident	85.8	Confident	14 Å²	14	31.3 Å²	31.3	9%	0.091	20%	0.198	C	C	.	.			trans	-79	77.3	176.5	32.7	-35.4	0	0	0	110.4	L129 A175 G179 L180	L129-P177 HydrophobicContact CD2-CG 4.31Å; A175-P177 WeakPolarHBondContact O-CD 3.13Å; P177-G179 PolarHBondContact O-N 3.31Å; P177-L180 HydrophobicContact CB-CB 4.07Å; P177-L180 HydrophobicContact CG-CB 4.27Å; P177-L180 HydrophobicContact CG-CD2 4.17Å; P177-L180 WeakPolarHBondContact O-CB 3.23Å; P177-L180 PolarHBondContact O-N 2.95Å
178	E	85.5	Confident	86.3	Confident	72 Å²	72	31.2 Å²	31.2	34%	0.336	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-59.4	-31.8	-174	-63.7	-177.6	179.1	0	0	113.7	I176 L180 P181 L665	I176-E178 VanDerWaalsContact C-N 3.28Å; I176-E178 HydrophobicContact CG2-CG 4.03Å; I176-E178 PolarHBondContact O-N 2.91Å; E178-L180 VanDerWaalsContact C-N 3.26Å; E178-L180 PolarHBondContact O-N 3.44Å; E178-P181 WeakPolarHBondContact O-CD 3.3Å; E178-L665 WeakPolarHBondContact OE2-CG 3.12Å
179	G	84.8	Confident	86.9	Confident	2 Å²	2	31.6 Å²	31.6	2%	0.021	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.8	-16.6	176.7	0	0	0	0	0	114.1	P177 A182 V183	P177-G179 PolarHBondContact O-N 3.31Å; G179-A182 PolarHBondContact O-N 3Å; G179-V183 WeakPolarHBondContact O-CG2 3.31Å; G179-V183 PolarHBondContact O-N 2.64Å
180	L	86.5	Confident	87.2	Confident	12 Å²	12	30.8 Å²	30.8	6%	0.063	19%	0.193	C	C	.	.	H	α-helix	trans	-61.4	-46.9	-169.2	-178.6	65.9	0	0	0	113.9	F125 P177 E178 A182 V183 I184 F632 I633 L636	F125-L180 HydrophobicContact CE1-CD2 4.46Å; P177-L180 HydrophobicContact CB-CB 4.07Å; P177-L180 HydrophobicContact CG-CB 4.27Å; P177-L180 HydrophobicContact CG-CD2 4.17Å; P177-L180 WeakPolarHBondContact O-CB 3.23Å; P177-L180 PolarHBondContact O-N 2.95Å; E178-L180 VanDerWaalsContact C-N 3.26Å; E178-L180 PolarHBondContact O-N 3.44Å; L180-A182 VanDerWaalsContact C-N 3.27Å; L180-A182 PolarHBondContact O-N 2.99Å; L180-V183 PolarHBondContact O-N 2.89Å; L180-I184 HydrophobicContact CD1-CD1 3.81Å; L180-I184 HydrophobicContact CD1-CG1 3.96Å; L180-I184 HydrophobicContact CD2-CD1 4.32Å; L180-I184 HydrophobicContact CG-CD1 3.73Å; L180-I184 HydrophobicContact CG-CG1 4.28Å; L180-I184 VanDerWaalsContact O-CG1 3.32Å; L180-I184 WeakPolarHBondContact O-CG1 3.44Å; L180-I184 PolarHBondContact O-N 3.42Å; L180-F632 HydrophobicContact CD1-CD2 4.21Å; L180-F632 HydrophobicContact CD1-CE2 3.93Å; L180-I633 HydrophobicContact CD1-CG1 3.71Å; L180-L636 HydrophobicContact CB-CD1 4.21Å; L180-L636 HydrophobicContact CD1-CD1 3.77Å
181	P	87.1	Confident	87.4	Confident	87 Å²	87	30.5 Å²	30.5	57%	0.565	19%	0.191	S	C	*	.	H	α-helix	trans	-60.9	-35.8	178.2	-23.6	35.3	0	0	0	113.1	E178 T185	E178-P181 WeakPolarHBondContact O-CD 3.3Å; P181-T185 WeakPolarHBondContact O-CB 3.5Å; P181-T185 PolarHBondContact O-N 3.5Å; P181-T185 VanDerWaalsContact O-N 3.07Å; P181-T185 PolarHBondContact O-OG1 3.26Å
182	A	89.9	Confident	87.8	Confident	57 Å²	57	31.5 Å²	31.5	47%	0.471	20%	0.197	S	C	.	.	H	α-helix	trans	-67.4	-48.5	177.5	0	0	0	0	0	110.8	G179 L180 I184 T185 T186	G179-A182 PolarHBondContact O-N 3Å; L180-A182 VanDerWaalsContact C-N 3.27Å; L180-A182 PolarHBondContact O-N 2.99Å; A182-I184 PolarHBondContact O-N 3.35Å; A182-T185 PolarHBondContact O-N 2.76Å; A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 2.71Å; A182-T186 PolarHBondContact O-OG1 2.82Å; A182-T186 VanDerWaalsContact O-OG1 3.08Å
183	V	90.9	Very high	88.2	Confident	4 Å²	4	38.1 Å²	38.1	2%	0.024	22%	0.216	C	C	.	.	H	α-helix	trans	-61.7	-45.6	179.3	176.2	0	0	0	0	111.5	G179 L180 T185 T186 C187 F632 A676	G179-V183 WeakPolarHBondContact O-CG2 3.31Å; G179-V183 PolarHBondContact O-N 2.64Å; L180-V183 PolarHBondContact O-N 2.89Å; V183-T185 PolarHBondContact O-N 3.07Å; V183-T186 PolarHBondContact O-N 2.8Å; V183-C187 WeakPolarHBondContact O-CB 3.12Å; V183-C187 PolarHBondContact O-N 2.94Å; V183-F632 HydrophobicContact CB-CE2 4.47Å; V183-F632 HydrophobicContact CG1-CD1 4.19Å; V183-F632 HydrophobicContact CG1-CD2 3.69Å; V183-F632 HydrophobicContact CG1-CE1 4.15Å; V183-F632 HydrophobicContact CG1-CE2 3.75Å; V183-F632 HydrophobicContact CG1-CG 3.98Å; V183-F632 HydrophobicContact CG1-CZ 3.98Å; V183-A676 HydrophobicContact CG1-CB 3.96Å; V183-A676 HydrophobicContact CG2-CB 3.99Å
184	I	89	Confident	88.3	Confident	13 Å²	13	40.3 Å²	40.3	7%	0.067	22%	0.222	C	C	.	.	H	α-helix	trans	-59.2	-48.9	176.8	-68.1	172.5	0	0	0	110.2	L122 L180 A182 T186 C187 L188 M629 F632	L122-I184 HydrophobicContact CD1-CD1 3.88Å; L122-I184 HydrophobicContact CD2-CD1 3.76Å; L122-I184 HydrophobicContact CG-CD1 4.49Å; L180-I184 HydrophobicContact CD1-CD1 3.81Å; L180-I184 HydrophobicContact CD1-CG1 3.96Å; L180-I184 HydrophobicContact CD2-CD1 4.32Å; L180-I184 HydrophobicContact CG-CD1 3.73Å; L180-I184 HydrophobicContact CG-CG1 4.28Å; L180-I184 VanDerWaalsContact O-CG1 3.32Å; L180-I184 WeakPolarHBondContact O-CG1 3.44Å; L180-I184 PolarHBondContact O-N 3.42Å; A182-I184 PolarHBondContact O-N 3.35Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-T186 PolarHBondContact O-N 3.4Å; I184-C187 PolarHBondContact O-N 2.86Å; I184-L188 HydrophobicContact CG2-CD1 3.73Å; I184-L188 HydrophobicContact CG2-CG 4.22Å; I184-L188 WeakPolarHBondContact O-CB 3.4Å; I184-L188 WeakPolarHBondContact O-CG 3.48Å; I184-L188 PolarHBondContact O-N 2.88Å; I184-M629 HydrophobicContact CG2-SD 4.3Å; I184-F632 HydrophobicContact CG1-CE2 3.67Å; I184-F632 HydrophobicContact CG1-CZ 3.82Å
185	T	89.8	Confident	88.6	Confident	77 Å²	77	40.4 Å²	40.4	47%	0.472	22%	0.222	S	C	.	.	H	α-helix	trans	-60.8	-44.1	-179.1	-58.3	0	0	0	0	111.3	P181 A182 V183 A189 L205	P181-T185 WeakPolarHBondContact O-CB 3.5Å; P181-T185 PolarHBondContact O-N 3.5Å; P181-T185 VanDerWaalsContact O-N 3.07Å; P181-T185 PolarHBondContact O-OG1 3.26Å; A182-T185 PolarHBondContact O-N 2.76Å; V183-T185 PolarHBondContact O-N 3.07Å; T185-A189 VanDerWaalsContact O-CB 3.26Å; T185-A189 WeakPolarHBondContact O-CB 3.38Å; T185-A189 PolarHBondContact O-N 2.95Å; T185-L205 HydrophobicContact CG2-CD1 4.37Å
186	T	91	Very high	88.9	Confident	61 Å²	61	42.3 Å²	42.3	37%	0.374	24%	0.238	S	C	.	.	H	α-helix	trans	-63.8	-44.8	177.1	-60.9	0	0	0	0	111.5	A182 V183 I184 A189 L190 T677	A182-T186 WeakPolarHBondContact O-CB 3.37Å; A182-T186 PolarHBondContact O-N 2.71Å; A182-T186 PolarHBondContact O-OG1 2.82Å; A182-T186 VanDerWaalsContact O-OG1 3.08Å; V183-T186 PolarHBondContact O-N 2.8Å; I184-T186 VanDerWaalsContact C-N 3.33Å; I184-T186 PolarHBondContact O-N 3.4Å; T186-A189 PolarHBondContact O-N 3.37Å; T186-L190 HydrophobicContact CG2-CD1 3.77Å; T186-L190 HydrophobicContact CG2-CG 4.48Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 WeakPolarHBondContact O-CD1 3.37Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.47Å; T186-L190 PolarHBondContact O-N 3.21Å; T186-T677 HydrophobicContact CG2-CG2 3.71Å
187	C	89.9	Confident	89.3	Confident	3 Å²	3	46.1 Å²	46.1	2%	0.02	25%	0.252	C	S	.	.	H	α-helix	trans	-60.8	-47.8	177.6	-173.4	0	0	0	0	111.9	V183 I184 A189 L190 G191 F632	V183-C187 WeakPolarHBondContact O-CB 3.12Å; V183-C187 PolarHBondContact O-N 2.94Å; I184-C187 PolarHBondContact O-N 2.86Å; C187-A189 PolarHBondContact O-N 3.4Å; C187-L190 PolarHBondContact O-N 3.47Å; C187-G191 PolarHBondContact O-N 2.96Å; C187-F632 HydrophobicContact CB-CE1 3.89Å; C187-F632 HydrophobicContact CB-CZ 4.3Å
188	L	90.3	Very high	89.6	Confident	8 Å²	8	49.3 Å²	49.3	4%	0.042	26%	0.264	C	S	.	.	H	α-helix	trans	-64.3	-39	177.8	-67.2	174.5	0	0	0	112.1	I184 G191 T192 L205 V208 I625 M629	I184-L188 HydrophobicContact CG2-CD1 3.73Å; I184-L188 HydrophobicContact CG2-CG 4.22Å; I184-L188 WeakPolarHBondContact O-CB 3.4Å; I184-L188 WeakPolarHBondContact O-CG 3.48Å; I184-L188 PolarHBondContact O-N 2.88Å; L188-G191 PolarHBondContact O-N 3.43Å; L188-T192 WeakPolarHBondContact O-CB 3.46Å; L188-T192 PolarHBondContact O-N 3.27Å; L188-T192 PolarHBondContact O-OG1 2.94Å; L188-L205 HydrophobicContact CB-CB 4.14Å; L188-L205 HydrophobicContact CD1-CB 4.36Å; L188-V208 HydrophobicContact CD2-CB 4.18Å; L188-V208 HydrophobicContact CD2-CG1 4.14Å; L188-I625 HydrophobicContact CD2-CG2 4.15Å; L188-M629 HydrophobicContact CD2-SD 3.97Å; L188-M629 HydrophobicContact CG-SD 4.32Å
189	A	91.3	Very high	89.9	Confident	45 Å²	45	49.3 Å²	49.3	37%	0.372	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-41.5	176.8	0	0	0	0	0	112	T185 T186 C187 T192 R193 L205	T185-A189 VanDerWaalsContact O-CB 3.26Å; T185-A189 WeakPolarHBondContact O-CB 3.38Å; T185-A189 PolarHBondContact O-N 2.95Å; T186-A189 PolarHBondContact O-N 3.37Å; C187-A189 PolarHBondContact O-N 3.4Å; A189-T192 PolarHBondContact O-N 2.98Å; A189-R193 PolarHBondContact O-N 2.7Å; A189-L205 HydrophobicContact CB-CD2 4.48Å
190	L	88.5	Confident	90.4	Very high	45 Å²	45	49.2 Å²	49.2	24%	0.236	27%	0.266	C	S	.	.	H	α-helix	trans	-67.9	-40	175.2	-70.7	161.6	0	0	0	111.9	T186 C187 R193 R194 F681	T186-L190 HydrophobicContact CG2-CD1 3.77Å; T186-L190 HydrophobicContact CG2-CG 4.48Å; T186-L190 WeakPolarHBondContact O-CB 3.45Å; T186-L190 WeakPolarHBondContact O-CD1 3.37Å; T186-L190 VanDerWaalsContact O-CG 3.23Å; T186-L190 WeakPolarHBondContact O-CG 3.47Å; T186-L190 PolarHBondContact O-N 3.21Å; C187-L190 PolarHBondContact O-N 3.47Å; L190-R193 WeakPolarHBondContact O-CB 3.49Å; L190-R193 PolarHBondContact O-N 2.9Å; L190-R194 PolarHBondContact O-N 3.41Å; L190-F681 HydrophobicContact CB-CZ 4.49Å; L190-F681 HydrophobicContact CD1-CE1 3.99Å; L190-F681 HydrophobicContact CD1-CE2 3.6Å; L190-F681 HydrophobicContact CD1-CZ 3.19Å; L190-F681 HydrophobicContact CD2-CE1 4.28Å; L190-F681 HydrophobicContact CD2-CZ 3.89Å; L190-F681 HydrophobicContact CG-CZ 4.04Å
191	G	88	Confident	90.8	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-58.2	-47.9	171.7	0	0	0	0	0	112.3	C187 L188 R193 R194 M195 I625	C187-G191 PolarHBondContact O-N 2.96Å; L188-G191 PolarHBondContact O-N 3.43Å; G191-R193 VanDerWaalsContact C-N 3.28Å; G191-R193 PolarHBondContact O-N 3.43Å; G191-R194 WeakPolarHBondContact O-CB 3.14Å; G191-R194 PolarHBondContact O-N 2.8Å; G191-M195 PolarHBondContact O-N 3.49Å; G191-I625 VanDerWaalsContact CA-CD1 3.47Å
192	T	90.7	Very high	91.1	Very high	22 Å²	22	49 Å²	49	14%	0.135	26%	0.259	C	S	.	.	H	α-helix	trans	-57.8	-41.3	174.9	-59.3	0	0	0	0	111.5	L188 A189 R194 M195 A196 V202 L205 V208	L188-T192 WeakPolarHBondContact O-CB 3.46Å; L188-T192 PolarHBondContact O-N 3.27Å; L188-T192 PolarHBondContact O-OG1 2.94Å; A189-T192 PolarHBondContact O-N 2.98Å; T192-R194 PolarHBondContact O-N 3.2Å; T192-M195 PolarHBondContact O-N 2.94Å; T192-A196 WeakPolarHBondContact O-CB 3.29Å; T192-A196 PolarHBondContact O-N 3.27Å; T192-V202 HydrophobicContact CG2-CB 3.95Å; T192-V202 HydrophobicContact CG2-CG2 4.47Å; T192-L205 VanDerWaalsContact OG1-CD2 3.28Å; T192-L205 WeakPolarHBondContact OG1-CD2 3.48Å; T192-V208 WeakPolarHBondContact OG1-CG2 3.14Å
193	R	91.4	Very high	91.2	Very high	170 Å²	170	53.2 Å²	53.2	64%	0.642	26%	0.263	S	S	*	.	H	α-helix	trans	-65.1	-36.8	175.6	-173.3	-179.5	175.1	-166.4	-0.8	112.6	A189 L190 G191 K197	A189-R193 PolarHBondContact O-N 2.7Å; L190-R193 WeakPolarHBondContact O-CB 3.49Å; L190-R193 PolarHBondContact O-N 2.9Å; G191-R193 VanDerWaalsContact C-N 3.28Å; G191-R193 PolarHBondContact O-N 3.43Å; R193-K197 PolarHBondContact O-N 3.17Å
194	R	89.3	Confident	90.9	Very high	68 Å²	68	55.2 Å²	55.2	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-67	-44.5	174.7	-75.6	-173.7	-79.9	169.5	-12.3	111.4	L190 G191 T192 A196 K197 K198 E621	L190-R194 PolarHBondContact O-N 3.41Å; G191-R194 WeakPolarHBondContact O-CB 3.14Å; G191-R194 PolarHBondContact O-N 2.8Å; T192-R194 PolarHBondContact O-N 3.2Å; R194-A196 PolarHBondContact O-N 2.86Å; R194-K197 WeakPolarHBondContact O-CB 3.38Å; R194-K197 PolarHBondContact O-N 2.96Å; R194-K198 PolarHBondContact O-N 2.81Å; R194-E621 WeakPolarHBondContact CD-OE1 3.45Å; R194-E621 IonicContact CZ-OE1 2.77Å; R194-E621 IonicContact NE-OE1 2.71Å; R194-E621 PolarHBondContact NE-OE1 3.46Å; R194-E621 IonicContact NH1-OE1 3.74Å; R194-E621 PolarHBondContact NH1-OE1 2.92Å; R194-E621 IonicContact NH2-OE1 3.89Å
195	M	90.7	Very high	90.8	Very high	2 Å²	2	57.6 Å²	57.6	1%	0.01	29%	0.29	C	S	.	.	H	α-helix	trans	-61.2	-42.8	175.1	-70.4	-171.1	-165.5	0	0	112.2	G191 T192 K197 K198 N199 A200 V202 V208 M605 A618 E621 I625	G191-M195 PolarHBondContact O-N 3.49Å; T192-M195 PolarHBondContact O-N 2.94Å; M195-K197 PolarHBondContact O-N 3.5Å; M195-K198 CarbonylContact O-C 3.55Å; M195-K198 VanDerWaalsContact O-C 3.26Å; M195-K198 VanDerWaalsContact O-CA 3.32Å; M195-K198 WeakPolarHBondContact O-CA 3.29Å; M195-K198 PolarHBondContact O-N 3.1Å; M195-N199 PolarHBondContact O-N 3.27Å; M195-A200 CarbonylContact C-O 3.53Å; M195-A200 HydrophobicContact CB-CB 4.02Å; M195-A200 WeakPolarHBondContact CB-O 3.26Å; M195-A200 PolarHBondContact O-N 2.97Å; M195-V202 HydrophobicContact CB-CG2 4.23Å; M195-V202 HydrophobicContact SD-CG2 3.47Å; M195-V202 WeakPolarHBondContact SD-CG2 3.47Å; M195-V208 HydrophobicContact CE-CB 3.98Å; M195-V208 HydrophobicContact CE-CG1 3.41Å; M195-V208 VanDerWaalsContact CE-CG1 3.41Å; M195-V208 HydrophobicContact CE-CG2 4.02Å; M195-V208 HydrophobicContact SD-CG2 4.13Å; M195-M605 HydrophobicContact SD-CE 4.08Å; M195-A618 HydrophobicContact SD-CB 4.42Å; M195-E621 HydrophobicContact CE-CB 4Å; M195-E621 HydrophobicContact CE-CG 4.01Å; M195-E621 HydrophobicContact CG-CB 4.31Å; M195-E621 HydrophobicContact CG-CG 3.99Å; M195-I625 HydrophobicContact CE-CD1 4.01Å
196	A	93.4	Very high	90.5	Very high	48 Å²	48	55.1 Å²	55.1	40%	0.397	28%	0.275	S	S	.	.	H	α-helix	trans	-61	-33	178	0	0	0	0	0	112.5	T192 R194 K198 N199 A200	T192-A196 WeakPolarHBondContact O-CB 3.29Å; T192-A196 PolarHBondContact O-N 3.27Å; R194-A196 PolarHBondContact O-N 2.86Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.02Å; A196-N199 PolarHBondContact O-N 2.97Å; A196-A200 WeakPolarHBondContact CA-O 3.37Å; A196-A200 PolarHBondContact N-O 3.44Å; A196-A200 VanDerWaalsContact N-O 3.11Å
197	K	93.2	Very high	90.4	Very high	159 Å²	159	52.4 Å²	52.4	69%	0.691	26%	0.258	S	S	*	.	H	α-helix	trans	-68.2	-25.1	172.4	-71.7	-179.2	177.6	-175.1	0	113.2	R193 R194 M195 N199	R193-K197 PolarHBondContact O-N 3.17Å; R194-K197 WeakPolarHBondContact O-CB 3.38Å; R194-K197 PolarHBondContact O-N 2.96Å; M195-K197 PolarHBondContact O-N 3.5Å; K197-N199 VanDerWaalsContact C-N 3.31Å
198	K	90	Very high	90.3	Very high	81 Å²	81	52.2 Å²	52.2	35%	0.352	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.6	26.1	172.7	-59.6	-176.9	178.9	169.3	0	111.6	R194 M195 A196 A200 T614 C617 E621	R194-K198 PolarHBondContact O-N 2.81Å; M195-K198 CarbonylContact O-C 3.55Å; M195-K198 VanDerWaalsContact O-C 3.26Å; M195-K198 VanDerWaalsContact O-CA 3.32Å; M195-K198 WeakPolarHBondContact O-CA 3.29Å; M195-K198 PolarHBondContact O-N 3.1Å; A196-K198 VanDerWaalsContact C-N 3.26Å; A196-K198 PolarHBondContact O-N 3.02Å; K198-A200 PolarHBondContact O-N 3.36Å; K198-A200 VanDerWaalsContact O-N 3.11Å; K198-T614 WeakPolarHBondContact O-CG2 3.21Å; K198-C617 HydrophobicContact CD-CB 4.29Å; K198-E621 IonicContact NZ-OE2 3.65Å; K198-E621 PolarHBondContact NZ-OE2 3.11Å
199	N	93.1	Very high	90	Very high	71 Å²	71	51.9 Å²	51.9	38%	0.38	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	8.1	-179.9	-54.4	-38.7	0	0	0	116.5	M195 A196 K197 A608 D609 T614	M195-N199 PolarHBondContact O-N 3.27Å; A196-N199 PolarHBondContact O-N 2.97Å; K197-N199 VanDerWaalsContact C-N 3.31Å; N199-A608 HydrophobicContact CB-CB 4.14Å; N199-A608 WeakPolarHBondContact O-CB 3.43Å; N199-A608 PolarHBondContact O-N 2.84Å; N199-D609 HydrophobicContact CB-CB 4.03Å; N199-D609 WeakPolarHBondContact CB-OD2 3.31Å; N199-D609 PolarHBondContact ND2-OD2 3.2Å; N199-T614 HydrophobicContact CB-CG2 4.44Å
200	A	94.9	Very high	89.9	Confident	1 Å²	1	49.8 Å²	49.8	1%	0.008	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	102.3	174.5	0	0	0	0	0	110.7	M195 A196 K198 V202 M605 T614 A618	M195-A200 CarbonylContact C-O 3.53Å; M195-A200 HydrophobicContact CB-CB 4.02Å; M195-A200 WeakPolarHBondContact CB-O 3.26Å; M195-A200 PolarHBondContact O-N 2.97Å; A196-A200 WeakPolarHBondContact CA-O 3.37Å; A196-A200 PolarHBondContact N-O 3.44Å; A196-A200 VanDerWaalsContact N-O 3.11Å; K198-A200 PolarHBondContact O-N 3.36Å; K198-A200 VanDerWaalsContact O-N 3.11Å; A200-V202 PolarHBondContact O-N 2.89Å; A200-M605 HydrophobicContact CB-CE 4.23Å; A200-M605 HydrophobicContact CB-SD 4.13Å; A200-T614 HydrophobicContact CB-CG2 3.82Å; A200-A618 HydrophobicContact CB-CB 4.11Å
201	I	95.1	Very high	89.9	Confident	82 Å²	82	47.6 Å²	47.6	42%	0.421	23%	0.227	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.6	102.9	-179.7	-55.8	175.6	0	0	0	109.2	M605 V606 A608	I201-M605 CarbonylContact O-C 3.52Å; I201-M605 WeakPolarHBondContact O-CA 3.38Å; I201-V606 HydrophobicContact CB-CB 4.32Å; I201-V606 PolarHBondContact N-O 3.27Å; I201-V606 PolarHBondContact O-N 3.32Å; I201-A608 HydrophobicContact CD1-CB 4Å; I201-A608 HydrophobicContact CG1-CB 4.36Å
202	V	93.6	Very high	89.8	Confident	13 Å²	13	47.9 Å²	47.9	8%	0.079	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	128.9	175.4	-164.6	0	0	0	0	110.2	T192 M195 A200 S204 V208 M605	T192-V202 HydrophobicContact CG2-CB 3.95Å; T192-V202 HydrophobicContact CG2-CG2 4.47Å; M195-V202 HydrophobicContact CB-CG2 4.23Å; M195-V202 HydrophobicContact SD-CG2 3.47Å; M195-V202 WeakPolarHBondContact SD-CG2 3.47Å; A200-V202 PolarHBondContact O-N 2.89Å; V202-S204 WeakPolarHBondContact CG1-O 3.24Å; V202-V208 HydrophobicContact CB-CG2 4.21Å; V202-V208 HydrophobicContact CG1-CG2 3.88Å; V202-V208 HydrophobicContact CG2-CG2 3.97Å; V202-M605 HydrophobicContact CG2-CE 3.79Å
203	R	90.6	Very high	89.8	Confident	144 Å²	144	46.9 Å²	46.9	54%	0.543	22%	0.223	S	C	.	.	S	Bend	trans	-94.6	-24.1	179.8	-64	-174.3	54	160	-2.6	113.6	K600 S601 A603 E604	R203-K600 VanDerWaalsContact NH1-C 3.29Å; R203-K600 PolarHBondContact NH1-O 3.04Å; R203-S601 VanDerWaalsContact NH1-CA 3.28Å; R203-A603 WeakPolarHBondContact CD-O 3.44Å; R203-E604 WeakPolarHBondContact CB-O 2.95Å; R203-E604 PolarHBondContact N-O 3.44Å
204	S	86.3	Confident	89.9	Confident	47 Å²	47	38.8 Å²	38.8	33%	0.329	19%	0.193	S	C	.	.	S	Bend	trans	-124.1	118.3	-180	-179.3	0	0	0	0	109.5	V202 P206 S207	V202-S204 WeakPolarHBondContact CG1-O 3.24Å; S204-P206 WeakPolarHBondContact OG-CD 3.3Å; S204-S207 WeakPolarHBondContact CB-OG 3.42Å; S204-S207 WeakPolarHBondContact O-CB 3.48Å; S204-S207 PolarHBondContact O-N 2.97Å; S204-S207 VanDerWaalsContact O-N 3.1Å
205	L	85.5	Confident	90.2	Very high	63 Å²	63	36.2 Å²	36.2	33%	0.33	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56	-42.9	-175.8	-66.7	178.1	0	0	0	113.4	T185 L188 A189 T192 S207 V208	T185-L205 HydrophobicContact CG2-CD1 4.37Å; L188-L205 HydrophobicContact CB-CB 4.14Å; L188-L205 HydrophobicContact CD1-CB 4.36Å; A189-L205 HydrophobicContact CB-CD2 4.48Å; T192-L205 VanDerWaalsContact OG1-CD2 3.28Å; T192-L205 WeakPolarHBondContact OG1-CD2 3.48Å; L205-S207 PolarHBondContact O-N 3.46Å; L205-V208 WeakPolarHBondContact O-CB 3.36Å; L205-V208 PolarHBondContact O-N 3.01Å
206	P	84.7	Confident	90.5	Very high	25 Å²	25	36.2 Å²	36.2	16%	0.162	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-27.6	177.6	-25.9	36.4	0	0	0	114.6	T116 S204 V208 E209 T210	T116-P206 HydrophobicContact CG2-CB 3.76Å; S204-P206 WeakPolarHBondContact OG-CD 3.3Å; P206-V208 PolarHBondContact O-N 3.47Å; P206-E209 PolarHBondContact O-N 3.49Å; P206-E209 VanDerWaalsContact O-N 3.12Å; P206-T210 PolarHBondContact O-N 2.97Å; P206-T210 PolarHBondContact O-OG1 2.78Å
207	S	88	Confident	90.6	Very high	3 Å²	3	33.9 Å²	33.9	2%	0.021	17%	0.166	C	C	.	.	H	α-helix	trans	-67.5	-21.2	-177.1	-53.3	0	0	0	0	113.3	S204 L205 E209 T210 L211 E604	S204-S207 WeakPolarHBondContact CB-OG 3.42Å; S204-S207 WeakPolarHBondContact O-CB 3.48Å; S204-S207 PolarHBondContact O-N 2.97Å; S204-S207 VanDerWaalsContact O-N 3.1Å; L205-S207 PolarHBondContact O-N 3.46Å; S207-E209 PolarHBondContact O-N 3.25Å; S207-T210 PolarHBondContact O-N 3.36Å; S207-L211 PolarHBondContact O-N 3Å; S207-E604 WeakPolarHBondContact OG-CB 2.99Å; S207-E604 VanDerWaalsContact OG-CG 3.24Å; S207-E604 WeakPolarHBondContact OG-CG 3.25Å
208	V	87.2	Confident	90.8	Very high	0 Å²	0	26.3 Å²	26.3	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-54.4	-43.4	170.7	164.6	0	0	0	0	111.3	L188 T192 M195 V202 L205 P206 G622 I625	L188-V208 HydrophobicContact CD2-CB 4.18Å; L188-V208 HydrophobicContact CD2-CG1 4.14Å; T192-V208 WeakPolarHBondContact OG1-CG2 3.14Å; M195-V208 HydrophobicContact CE-CB 3.98Å; M195-V208 HydrophobicContact CE-CG1 3.41Å; M195-V208 VanDerWaalsContact CE-CG1 3.41Å; M195-V208 HydrophobicContact CE-CG2 4.02Å; M195-V208 HydrophobicContact SD-CG2 4.13Å; V202-V208 HydrophobicContact CB-CG2 4.21Å; V202-V208 HydrophobicContact CG1-CG2 3.88Å; V202-V208 HydrophobicContact CG2-CG2 3.97Å; L205-V208 WeakPolarHBondContact O-CB 3.36Å; L205-V208 PolarHBondContact O-N 3.01Å; P206-V208 PolarHBondContact O-N 3.47Å; V208-G622 WeakPolarHBondContact O-CA 3.37Å; V208-I625 HydrophobicContact CG1-CB 4.28Å; V208-I625 HydrophobicContact CG1-CD1 3.26Å; V208-I625 HydrophobicContact CG1-CG1 4.36Å; V208-I625 HydrophobicContact CG1-CG2 4.05Å
209	E	85	Confident	90.9	Very high	0 Å²	0	22.5 Å²	22.5	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-77.3	-41.7	-179.7	178.7	-98.9	-156.8	0	0	111.7	L118 P206 S207 L211 G212 C213 Y626 M629 R694	L118-E209 HydrophobicContact CB-CG 4.24Å; L118-E209 WeakPolarHBondContact CB-OE1 3.29Å; L118-E209 HydrophobicContact CD2-CB 4.28Å; L118-E209 HydrophobicContact CD2-CG 4.37Å; P206-E209 PolarHBondContact O-N 3.49Å; P206-E209 VanDerWaalsContact O-N 3.12Å; S207-E209 PolarHBondContact O-N 3.25Å; E209-L211 PolarHBondContact O-N 3.23Å; E209-L211 VanDerWaalsContact O-N 3.16Å; E209-G212 PolarHBondContact O-N 2.58Å; E209-C213 PolarHBondContact O-SG 2.91Å; E209-Y626 HydrophobicContact CG-CD2 3.73Å; E209-Y626 HydrophobicContact CG-CG 4.4Å; E209-Y626 WeakPolarHBondContact OE1-CD2 3.32Å; E209-M629 HydrophobicContact CB-CE 3.92Å; E209-M629 HydrophobicContact CG-CE 3.6Å; E209-R694 VanDerWaalsContact CD-NH2 3.26Å; E209-R694 IonicContact OE1-CZ 3.87Å; E209-R694 VanDerWaalsContact OE1-CZ 3.27Å; E209-R694 IonicContact OE1-NH1 3.2Å; E209-R694 IonicContact OE1-NH2 2.72Å; E209-R694 PolarHBondContact OE1-NH2 2.78Å; E209-R694 IonicContact OE2-NH2 3.34Å
210	T	88.4	Confident	90.6	Very high	1 Å²	1	19.3 Å²	19.3	1%	0.006	10%	0.099	C	C	.	.	H	α-helix	trans	-58.9	-33.2	-179.5	-51.4	0	0	0	0	110.5	T116 P117 P206 S207 G212 C213 T214 I569 E587 I588	T116-T210 WeakPolarHBondContact CB-OG1 3.39Å; T116-T210 WeakPolarHBondContact CG2-OG1 3.26Å; P117-T210 HydrophobicContact CG-CG2 4.45Å; P206-T210 PolarHBondContact O-N 2.97Å; P206-T210 PolarHBondContact O-OG1 2.78Å; S207-T210 PolarHBondContact O-N 3.36Å; T210-G212 VanDerWaalsContact C-N 3.26Å; T210-G212 PolarHBondContact O-N 3.11Å; T210-C213 WeakPolarHBondContact O-CA 3.43Å; T210-C213 VanDerWaalsContact O-CB 3.31Å; T210-C213 WeakPolarHBondContact O-CB 3.36Å; T210-C213 PolarHBondContact O-N 2.69Å; T210-T214 PolarHBondContact O-N 3.5Å; T210-I569 HydrophobicContact CG2-CG2 3.96Å; T210-E587 HydrophobicContact CG2-CB 3.87Å; T210-I588 VanDerWaalsContact C-CD1 3.4Å; T210-I588 HydrophobicContact CG2-CD1 3.91Å; T210-I588 HydrophobicContact CG2-CG1 3.75Å
211	L	88.9	Confident	90.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-56.4	-38.3	172.9	-118.9	108.1	0	0	0	113.5	S207 E209 C213 T214 I588 M605 A618 V619	S207-L211 PolarHBondContact O-N 3Å; E209-L211 PolarHBondContact O-N 3.23Å; E209-L211 VanDerWaalsContact O-N 3.16Å; L211-C213 PolarHBondContact O-N 3.06Å; L211-C213 VanDerWaalsContact O-N 3.14Å; L211-T214 WeakPolarHBondContact CA-OG1 3.45Å; L211-T214 WeakPolarHBondContact O-CB 3.45Å; L211-T214 PolarHBondContact O-N 3.38Å; L211-T214 PolarHBondContact O-OG1 2.98Å; L211-I588 HydrophobicContact CB-CD1 4.05Å; L211-I588 HydrophobicContact CD1-CD1 3.86Å; L211-I588 HydrophobicContact CD1-CG2 3.51Å; L211-I588 HydrophobicContact CG-CD1 3.83Å; L211-I588 HydrophobicContact CG-CG2 4.4Å; L211-I588 VanDerWaalsContact N-CD1 3.26Å; L211-M605 HydrophobicContact CD1-CE 3.26Å; L211-M605 HydrophobicContact CD1-SD 4.1Å; L211-M605 HydrophobicContact CD2-CE 3.74Å; L211-M605 HydrophobicContact CD2-SD 4.37Å; L211-M605 HydrophobicContact CG-CE 4.17Å; L211-A618 HydrophobicContact CD2-CB 3.34Å; L211-A618 WeakPolarHBondContact CD2-O 3.41Å; L211-V619 HydrophobicContact CD2-CB 4.48Å; L211-V619 HydrophobicContact CD2-CG2 3.85Å; L211-V619 HydrophobicContact CG-CG2 4.41Å
212	G	86.2	Confident	89.4	Confident	5 Å²	5	15.6 Å²	15.6	5%	0.052	8%	0.08	C	C	.	.	H	α-helix	trans	-64.7	-17.2	177.3	0	0	0	0	0	113.8	E209 T210 R623	E209-G212 PolarHBondContact O-N 2.58Å; T210-G212 VanDerWaalsContact C-N 3.26Å; T210-G212 PolarHBondContact O-N 3.11Å; G212-R623 VanDerWaalsContact O-CG 3.23Å; G212-R623 WeakPolarHBondContact O-CG 3.49Å
213	C	90.2	Very high	88.6	Confident	1 Å²	1	15.2 Å²	15.2	1%	0.007	8%	0.079	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.9	-176.5	-36	0	0	0	0	112.2	E209 T210 L211 S215 I569 R694	E209-C213 PolarHBondContact O-SG 2.91Å; T210-C213 WeakPolarHBondContact O-CA 3.43Å; T210-C213 VanDerWaalsContact O-CB 3.31Å; T210-C213 WeakPolarHBondContact O-CB 3.36Å; T210-C213 PolarHBondContact O-N 2.69Å; L211-C213 PolarHBondContact O-N 3.06Å; L211-C213 VanDerWaalsContact O-N 3.14Å; C213-S215 PolarHBondContact O-N 3.26Å; C213-S215 VanDerWaalsContact O-N 3.14Å; C213-I569 HydrophobicContact CB-CB 4.44Å; C213-I569 HydrophobicContact CB-CG1 4.13Å; C213-I569 HydrophobicContact CB-CG2 4.28Å; C213-I569 WeakPolarHBondContact O-CB 3.44Å; C213-R694 HydrophobicContact CB-CG 4.26Å; C213-R694 PolarHBondContact SG-NE 3.27Å; C213-R694 PolarHBondContact SG-NH2 2.83Å
214	T	94.4	Very high	88.1	Confident	1 Å²	1	8.4 Å²	8.4	1%	0.006	5%	0.053	C	C	.	.			trans	-54.9	121.8	-175.6	-51.7	0	0	0	0	109.7	T210 L211 V216 I217 I491 A571 I588 P693	T210-T214 PolarHBondContact O-N 3.5Å; L211-T214 WeakPolarHBondContact CA-OG1 3.45Å; L211-T214 WeakPolarHBondContact O-CB 3.45Å; L211-T214 PolarHBondContact O-N 3.38Å; L211-T214 PolarHBondContact O-OG1 2.98Å; T214-V216 WeakPolarHBondContact CG2-O 3.42Å; T214-I217 HydrophobicContact CG2-CG1 3.72Å; T214-I491 HydrophobicContact CG2-CG2 4.47Å; T214-A571 HydrophobicContact CG2-CB 3.67Å; T214-I588 WeakPolarHBondContact OG1-CD1 3.45Å; T214-P693 WeakPolarHBondContact O-CG 3.42Å
215	S	95.1	Very high	88	Confident	14 Å²	14	6.2 Å²	6.2	10%	0.098	4%	0.038	C	C	.	.			trans	-106.6	-31.6	-179.7	59.7	0	0	0	0	111.7	C213 I491 R492 E568 I569	C213-S215 PolarHBondContact O-N 3.26Å; C213-S215 VanDerWaalsContact O-N 3.14Å; S215-I491 WeakPolarHBondContact O-CA 3.34Å; S215-R492 PolarHBondContact O-N 3.32Å; S215-E568 VanDerWaalsContact CB-OE2 3.26Å; S215-E568 WeakPolarHBondContact CB-OE2 3.45Å; S215-E568 WeakPolarHBondContact OG-CA 3.5Å; S215-E568 WeakPolarHBondContact OG-CB 3.26Å; S215-E568 PolarHBondContact OG-OE2 2.89Å; S215-I569 PolarHBondContact N-O 2.86Å; S215-I569 PolarHBondContact OG-N 3.44Å; S215-I569 PolarHBondContact OG-O 3.47Å
216	V	96.6	Very high	88	Confident	1 Å²	1	3.2 Å²	3.2	1%	0.006	2%	0.022	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	132.7	178.9	-175.7	0	0	0	0	109.5	T214 R492 I494 L563 E568 I569 T570 A571	T214-V216 WeakPolarHBondContact CG2-O 3.42Å; V216-R492 CarbonylContact C-O 3.59Å; V216-R492 VanDerWaalsContact CA-O 3.25Å; V216-R492 WeakPolarHBondContact CA-O 3.44Å; V216-R492 HydrophobicContact CG2-CB 4.38Å; V216-I494 HydrophobicContact CG1-CD1 3.59Å; V216-I494 HydrophobicContact CG1-CG1 3.89Å; V216-L563 HydrophobicContact CG1-CD1 3.92Å; V216-L563 HydrophobicContact CG1-CD2 4.44Å; V216-L563 HydrophobicContact CG2-CD2 4.39Å; V216-E568 HydrophobicContact CG2-CB 4.04Å; V216-E568 HydrophobicContact CG2-CG 4.21Å; V216-I569 PolarHBondContact N-O 3.22Å; V216-T570 WeakPolarHBondContact O-CA 3.41Å; V216-A571 PolarHBondContact O-N 3.49Å
217	I	96.6	Very high	87.9	Confident	0 Å²	0	2.9 Å²	2.9	0%	0	2%	0.02	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	105	170.7	-60.8	171.5	0	0	0	107.9	T214 I491 R492 V493 I494 A571 T573 F612 I615	T214-I217 HydrophobicContact CG2-CG1 3.72Å; I217-I491 HydrophobicContact CD1-CG2 3.78Å; I217-I491 HydrophobicContact CG1-CG2 3.78Å; I217-R492 PolarHBondContact N-O 3.38Å; I217-V493 CarbonylContact O-C 3.6Å; I217-V493 WeakPolarHBondContact O-CA 3.26Å; I217-I494 PolarHBondContact O-N 3.41Å; I217-A571 CarbonylContact C-O 3.6Å; I217-A571 WeakPolarHBondContact CA-O 3.38Å; I217-A571 HydrophobicContact CG1-CB 4.27Å; I217-T573 HydrophobicContact CG2-CG2 4.38Å; I217-F612 HydrophobicContact CG2-CE2 3.95Å; I217-F612 HydrophobicContact CG2-CZ 4.19Å; I217-I615 HydrophobicContact CD1-CG2 3.98Å
218	C	96	Very high	87.4	Confident	0 Å²	0	5.1 Å²	5.1	0%	0	3%	0.032	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	115.2	167.8	-69.3	0	0	0	0	108.5	I494 I496 L563 A571 M572 T573	C218-I494 CarbonylContact C-O 3.56Å; C218-I494 WeakPolarHBondContact CA-O 3.21Å; C218-I496 HydrophobicContact CB-CD1 3.79Å; C218-L563 WeakPolarHBondContact SG-CD1 3.37Å; C218-A571 PolarHBondContact N-O 3.25Å; C218-M572 HydrophobicContact CB-SD 3.4Å; C218-M572 WeakPolarHBondContact CB-SD 3.37Å; C218-M572 CarbonylContact O-C 3.54Å; C218-M572 VanDerWaalsContact O-CA 3.29Å; C218-M572 WeakPolarHBondContact O-CA 3.5Å; C218-T573 PolarHBondContact O-N 3.07Å
219	S	92.9	Very high	87.4	Confident	0 Å²	0	7 Å²	7	0%	0	4%	0.041	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	133.7	-175.5	-160.2	0	0	0	0	112.7	T224 I494 M495 I496 T573	S219-T224 WeakPolarHBondContact OG-CG2 3.46Å; S219-I494 PolarHBondContact N-O 3.36Å; S219-M495 WeakPolarHBondContact O-CA 3.32Å; S219-I496 PolarHBondContact O-N 3.12Å; S219-T573 WeakPolarHBondContact CA-OG1 3.47Å; S219-T573 WeakPolarHBondContact CB-OG1 3.42Å; S219-T573 PolarHBondContact OG-OG1 3.21Å
220	D	87.4	Confident	87.5	Confident	4 Å²	4	8.3 Å²	8.3	2%	0.021	5%	0.047	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.4	149	167.1	-163.8	77.8	0	0	0	110.5	T222 T224 L225 I496 K556 T573	D220-T222 PolarHBondContact OD2-N 3.01Å; D220-T224 WeakPolarHBondContact O-CB 3.47Å; D220-L225 WeakPolarHBondContact O-CG 3.1Å; D220-I496 WeakPolarHBondContact CA-O 3.48Å; D220-K556 IonicContact OD1-NZ 3.8Å; D220-K556 PolarHBondContact OD1-NZ 3.08Å; D220-T573 PolarHBondContact N-OG1 3.18Å
221	K	85.9	Confident	87.7	Confident	4 Å²	4	8.7 Å²	8.7	2%	0.017	5%	0.049	C	C	.	.	I	π-helix	trans	-77.8	-54.9	177.7	-176.7	-136.7	56.4	146.7	0	111.3	G223 L225 T226 D473 M495 I496 D499 I507	K221-G223 PolarHBondContact O-N 3.39Å; K221-L225 PolarHBondContact O-N 2.67Å; K221-L225 VanDerWaalsContact O-N 3.09Å; K221-T226 HydrophobicContact CD-CG2 4.17Å; K221-T226 HydrophobicContact CG-CG2 3.91Å; K221-T226 PolarHBondContact O-N 2.9Å; K221-T226 PolarHBondContact O-OG1 3.31Å; K221-T226 VanDerWaalsContact O-OG1 3.06Å; K221-D473 IonicContact NZ-OD2 2.89Å; K221-D473 PolarHBondContact NZ-OD2 3.43Å; K221-M495 HydrophobicContact CB-CG 4.19Å; K221-M495 HydrophobicContact CB-SD 4.16Å; K221-M495 HydrophobicContact CG-SD 4.12Å; K221-I496 PolarHBondContact N-O 3.37Å; K221-D499 VanDerWaalsContact CE-OD2 3.27Å; K221-D499 WeakPolarHBondContact CE-OD2 3.5Å; K221-D499 IonicContact NZ-OD2 2.55Å; K221-D499 PolarHBondContact NZ-OD2 3.41Å; K221-I507 HydrophobicContact CD-CD1 3.66Å; K221-I507 HydrophobicContact CG-CD1 4.45Å
222	T	77.8	Confident	88	Confident	1 Å²	1	8.8 Å²	8.8	1%	0.006	5%	0.05	C	C	.	.	I	π-helix	trans	-75.1	123.1	-165.4	-60.2	0	0	0	0	109.4	E52 D220 T224 T226 N228	E52-T222 PolarHBondContact OE1-OG1 2.84Å; D220-T222 PolarHBondContact OD2-N 3.01Å; T222-T224 PolarHBondContact O-N 3.12Å; T222-T226 WeakPolarHBondContact CA-OG1 3.29Å; T222-N228 HydrophobicContact CG2-CB 4.1Å; T222-N228 WeakPolarHBondContact CG2-OD1 3.45Å
223	G	76.7	Confident	88.2	Confident	6 Å²	6	9.7 Å²	9.7	6%	0.062	6%	0.056	C	C	.	.	I	π-helix	trans	80.2	-20.6	177.8	0	0	0	0	0	114.9	K221 T226 R476 M592	K221-G223 PolarHBondContact O-N 3.39Å; G223-T226 CarbonylContact C-O 3.56Å; G223-T226 VanDerWaalsContact C-O 3.23Å; G223-T226 WeakPolarHBondContact CA-O 3.36Å; G223-T226 PolarHBondContact N-OG1 2.87Å; G223-R476 PolarHBondContact O-NH2 3.49Å; G223-M592 WeakPolarHBondContact O-CE 3.31Å
224	T	79.3	Confident	88.4	Confident	0 Å²	0	11.3 Å²	11.3	0%	0	6%	0.063	C	C	.	.	I	π-helix	trans	-97.1	-68.3	175.6	-49.9	0	0	0	0	111.8	S219 D220 T222 R476 T573 M592 F612	S219-T224 WeakPolarHBondContact OG-CG2 3.46Å; D220-T224 WeakPolarHBondContact O-CB 3.47Å; T222-T224 PolarHBondContact O-N 3.12Å; T224-R476 WeakPolarHBondContact O-CD 3.46Å; T224-R476 PolarHBondContact O-NE 3.3Å; T224-T573 HydrophobicContact CG2-CG2 4.48Å; T224-M592 HydrophobicContact CG2-CE 4.06Å; T224-M592 HydrophobicContact CG2-SD 3.77Å; T224-M592 PolarHBondContact OG1-SD 3.39Å; T224-M592 VanDerWaalsContact OG1-SD 3.38Å; T224-F612 HydrophobicContact CG2-CD2 4.49Å
225	L	85.3	Confident	88.5	Confident	1 Å²	1	11.3 Å²	11.3	1%	0.005	6%	0.063	C	C	.	.	I	π-helix	trans	-78.6	-27.1	177.3	-60.9	175.1	0	0	0	112	D220 K221 P475 R476 V479 M495 I511 F612	D220-L225 WeakPolarHBondContact O-CG 3.1Å; K221-L225 PolarHBondContact O-N 2.67Å; K221-L225 VanDerWaalsContact O-N 3.09Å; L225-P475 WeakPolarHBondContact O-CA 3.32Å; L225-R476 PolarHBondContact O-N 3.36Å; L225-V479 HydrophobicContact CD2-CG1 3.72Å; L225-V479 HydrophobicContact CD2-CG2 4.41Å; L225-M495 HydrophobicContact CD1-CB 4.33Å; L225-M495 HydrophobicContact CD1-CE 3.75Å; L225-M495 HydrophobicContact CD1-CG 3.97Å; L225-I511 HydrophobicContact CD1-CD1 3.93Å; L225-F612 HydrophobicContact CD2-CD2 3.69Å; L225-F612 HydrophobicContact CD2-CE2 3.98Å; L225-F612 HydrophobicContact CD2-CG 4.07Å
226	T	85.3	Confident	88.5	Confident	0 Å²	0	10.8 Å²	10.8	0%	0	6%	0.059	C	C	.	.	B	Isolated β-bridge	trans	-108.1	165.4	175.7	64.7	0	0	0	0	111.8	K221 T222 G223 N228 D473 P474 R476 I507	K221-T226 HydrophobicContact CD-CG2 4.17Å; K221-T226 HydrophobicContact CG-CG2 3.91Å; K221-T226 PolarHBondContact O-N 2.9Å; K221-T226 PolarHBondContact O-OG1 3.31Å; K221-T226 VanDerWaalsContact O-OG1 3.06Å; T222-T226 WeakPolarHBondContact CA-OG1 3.29Å; G223-T226 CarbonylContact C-O 3.56Å; G223-T226 VanDerWaalsContact C-O 3.23Å; G223-T226 WeakPolarHBondContact CA-O 3.36Å; G223-T226 PolarHBondContact N-OG1 2.87Å; T226-N228 PolarHBondContact O-N 3.05Å; T226-D473 VanDerWaalsContact CB-CG 3.44Å; T226-D473 WeakPolarHBondContact CB-OD1 3.49Å; T226-D473 WeakPolarHBondContact CB-OD2 2.95Å; T226-D473 VanDerWaalsContact OG1-CG 3.25Å; T226-D473 PolarHBondContact OG1-OD1 3.04Å; T226-D473 PolarHBondContact OG1-OD2 2.89Å; T226-P474 VanDerWaalsContact CA-O 3.3Å; T226-P474 WeakPolarHBondContact CA-O 3.4Å; T226-P474 WeakPolarHBondContact CB-O 3.37Å; T226-R476 PolarHBondContact O-NE 3.33Å; T226-I507 HydrophobicContact CG2-CG2 4.49Å
227	T	81.6	Confident	88.4	Confident	18 Å²	18	11 Å²	11	11%	0.11	6%	0.059	C	C	.	.			trans	-73.7	-14.2	178.6	60	0	0	0	0	113	Q229 S260 P474 R476	T227-Q229 PolarHBondContact O-N 3.26Å; T227-Q229 PolarHBondContact OG1-N 3.46Å; T227-S260 PolarHBondContact OG1-O 2.82Å; T227-P474 PolarHBondContact N-O 3.27Å; T227-R476 HydrophobicContact CG2-CG 4.09Å
228	N	79.1	Confident	88.1	Confident	51 Å²	51	11.2 Å²	11.2	27%	0.273	6%	0.061	S	C	.	.	S	Bend	trans	54.9	29.1	-166.2	-167.3	20.3	0	0	0	112.3	S53 T222 T226 D473	S53-N228 PolarHBondContact OG-ND2 3.37Å; S53-N228 PolarHBondContact OG-OD1 3.3Å; T222-N228 HydrophobicContact CG2-CB 4.1Å; T222-N228 WeakPolarHBondContact CG2-OD1 3.45Å; T226-N228 PolarHBondContact O-N 3.05Å; N228-D473 WeakPolarHBondContact CA-OD1 3.25Å; N228-D473 PolarHBondContact N-OD1 2.99Å
229	Q	85.5	Confident	87.6	Confident	40 Å²	40	13 Å²	13	19%	0.187	7%	0.071	C	C	.	.			trans	-124.4	101.1	179.7	-62	-174.8	17.8	0	0	108.7	T227 S231 Y262 D473 P474	T227-Q229 PolarHBondContact O-N 3.26Å; T227-Q229 PolarHBondContact OG1-N 3.46Å; Q229-S231 PolarHBondContact O-N 3.13Å; Q229-S231 VanDerWaalsContact O-N 3.12Å; Q229-Y262 HydrophobicContact CB-CD2 3.99Å; Q229-Y262 HydrophobicContact CB-CE1 4.4Å; Q229-Y262 HydrophobicContact CB-CE2 3.81Å; Q229-Y262 HydrophobicContact CB-CG 4.33Å; Q229-Y262 HydrophobicContact CG-CD2 3.75Å; Q229-Y262 HydrophobicContact CG-CE2 3.69Å; Q229-Y262 HydrophobicContact CG-CG 4.47Å; Q229-D473 PolarHBondContact N-OD1 3.42Å; Q229-P474 WeakPolarHBondContact O-CD 3.02Å
230	M	88.8	Confident	86.9	Confident	27 Å²	27	17.4 Å²	17.4	13%	0.133	9%	0.094	C	C	.	.			trans	-59.3	120.1	178.8	-169.6	70	56.4	0	0	109	Y262 A313 A317 M471 L472	M230-Y262 PolarHBondContact N-OH 3.12Å; M230-Y262 WeakPolarHBondContact O-CE1 3.22Å; M230-A313 HydrophobicContact CB-CB 3.94Å; M230-A317 HydrophobicContact CB-CB 4.2Å; M230-A317 HydrophobicContact CG-CB 3.97Å; M230-A317 WeakPolarHBondContact O-CB 3.48Å; M230-M471 HydrophobicContact CG-CB 4.13Å; M230-M471 HydrophobicContact CG-CG 3.94Å; M230-M471 HydrophobicContact CG-SD 3.73Å; M230-M471 HydrophobicContact SD-CB 4.1Å; M230-M471 HydrophobicContact SD-CG 3.76Å; M230-M471 HydrophobicContact SD-SD 4.22Å; M230-L472 VanDerWaalsContact SD-C 3.54Å
231	S	91.9	Very high	85.9	Confident	8 Å²	8	24.8 Å²	24.8	6%	0.056	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	138.1	-179.9	-175.6	0	0	0	0	110.2	Q229 S233 G259 M471 L472	Q229-S231 PolarHBondContact O-N 3.13Å; Q229-S231 VanDerWaalsContact O-N 3.12Å; S231-S233 PolarHBondContact O-N 3.19Å; S231-G259 PolarHBondContact OG-O 3.47Å; S231-M471 CarbonylContact O-C 3.46Å; S231-M471 WeakPolarHBondContact O-CA 3.49Å; S231-M471 VanDerWaalsContact O-CB 3.3Å; S231-M471 WeakPolarHBondContact O-CB 3.39Å; S231-L472 PolarHBondContact N-O 3.16Å; S231-L472 PolarHBondContact O-N 2.88Å
232	V	94.8	Very high	84.4	Confident	2 Å²	2	26.8 Å²	26.8	1%	0.012	14%	0.144	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	123.4	169	179.6	0	0	0	0	107.7	V257 A317 L318 L321 V469 M471	V232-V257 HydrophobicContact CG1-CG2 4.36Å; V232-V257 WeakPolarHBondContact O-CB 3.45Å; V232-A317 HydrophobicContact CG2-CB 4.32Å; V232-L318 HydrophobicContact CG2-CD2 4.33Å; V232-L321 HydrophobicContact CB-CB 4.32Å; V232-L321 HydrophobicContact CB-CD1 4.16Å; V232-L321 HydrophobicContact CB-CD2 4.36Å; V232-L321 HydrophobicContact CB-CG 4.5Å; V232-L321 HydrophobicContact CG1-CD1 4.01Å; V232-L321 HydrophobicContact CG1-CD2 4.08Å; V232-L321 HydrophobicContact CG2-CB 4.1Å; V232-L321 HydrophobicContact CG2-CD2 4.12Å; V232-V469 HydrophobicContact CG1-CB 4.18Å; V232-M471 HydrophobicContact CG2-CB 4.18Å; V232-M471 HydrophobicContact CG2-CE 4.18Å
233	S	91.6	Very high	82.9	Confident	25 Å²	25	31 Å²	31	18%	0.175	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	-33.8	-178.2	61.2	0	0	0	0	112.4	S231 E256 V257 L431 G470 L472	S231-S233 PolarHBondContact O-N 3.19Å; S233-E256 WeakPolarHBondContact O-CA 3.38Å; S233-V257 PolarHBondContact O-N 2.75Å; S233-L431 WeakPolarHBondContact OG-CD2 3.49Å; S233-G470 PolarHBondContact N-O 3.14Å; S233-G470 PolarHBondContact OG-O 3.34Å; S233-L472 WeakPolarHBondContact OG-CD2 3.48Å
234	K	94	Very high	81.7	Confident	35 Å²	35	36.2 Å²	36.2	15%	0.152	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	152.7	178	-62.7	-167.7	174.4	179	0	110.5	L255 E256 Y424 D429 L431 G470	K234-L255 CarbonylContact C-O 3.46Å; K234-L255 VanDerWaalsContact CA-O 3.32Å; K234-L255 WeakPolarHBondContact CA-O 3.44Å; K234-E256 WeakPolarHBondContact CE-OE1 3.38Å; K234-E256 HydrophobicContact CG-CG 4.4Å; K234-E256 IonicContact NZ-OE1 3.01Å; K234-Y424 HydrophobicContact CB-CD2 4.25Å; K234-Y424 HydrophobicContact CB-CE2 3.56Å; K234-Y424 HydrophobicContact CD-CD1 4.47Å; K234-Y424 HydrophobicContact CD-CE1 3.93Å; K234-Y424 HydrophobicContact CD-CE2 4.47Å; K234-D429 IonicContact NZ-OD1 3.85Å; K234-D429 PolarHBondContact NZ-OD1 3.02Å; K234-D429 IonicContact NZ-OD2 2.95Å; K234-D429 PolarHBondContact NZ-OD2 3.15Å; K234-L431 HydrophobicContact CB-CD1 3.78Å; K234-L431 HydrophobicContact CD-CD1 4.12Å; K234-L431 HydrophobicContact CG-CD1 3.99Å; K234-G470 PolarHBondContact N-O 2.94Å; K234-G470 WeakPolarHBondContact O-CA 3.26Å; K234-G470 PolarHBondContact O-N 3.42Å
235	M	95.6	Very high	80.2	Confident	0 Å²	0	41 Å²	41	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.5	165.4	167.3	62	-176.7	176.6	0	0	109.8	L255 V257 V268 L283 L286 L321 M325 Y424 V468 V469	M235-L255 HydrophobicContact CE-CB 4.02Å; M235-L255 HydrophobicContact CE-CD1 4.41Å; M235-L255 HydrophobicContact CE-CD2 4.1Å; M235-L255 HydrophobicContact CE-CG 4.41Å; M235-L255 HydrophobicContact CG-CB 3.86Å; M235-L255 HydrophobicContact CG-CD1 4.06Å; M235-L255 PolarHBondContact N-O 3.26Å; M235-L255 PolarHBondContact O-N 2.98Å; M235-V257 HydrophobicContact CE-CG2 4.37Å; M235-V268 HydrophobicContact CE-CB 4.48Å; M235-V268 HydrophobicContact CE-CG1 3.51Å; M235-V268 HydrophobicContact CE-CG2 4.12Å; M235-L283 HydrophobicContact CE-CD2 3.88Å; M235-L283 HydrophobicContact SD-CD2 4.32Å; M235-L286 HydrophobicContact SD-CD1 4.44Å; M235-L286 HydrophobicContact SD-CD2 4.21Å; M235-L321 HydrophobicContact SD-CD1 4.43Å; M235-L321 HydrophobicContact SD-CD2 4.49Å; M235-M325 HydrophobicContact CE-CE 4.22Å; M235-M325 HydrophobicContact CE-SD 4.33Å; M235-M325 HydrophobicContact SD-SD 4.39Å; M235-Y424 PolarHBondContact O-OH 3.04Å; M235-V468 CarbonylContact C-O 3.55Å; M235-V468 WeakPolarHBondContact CA-O 3.2Å; M235-V468 WeakPolarHBondContact CB-O 3.47Å; M235-V469 HydrophobicContact CB-CB 4.43Å; M235-V469 HydrophobicContact CB-CG1 3.92Å
236	F	95.2	Very high	78.7	Confident	3 Å²	3	44.8 Å²	44.8	1%	0.013	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	150.4	169.6	66.7	-99.8	0	0	0	111.6	L252 L253 Q254 I417 M420 V421 Y424 G467 V468	F236-L252 HydrophobicContact CD2-CD1 4.16Å; F236-L252 HydrophobicContact CD2-CD2 4.12Å; F236-L252 HydrophobicContact CE2-CD1 4.09Å; F236-L252 HydrophobicContact CE2-CD2 4.3Å; F236-L253 WeakPolarHBondContact CA-O 3.49Å; F236-L253 WeakPolarHBondContact CB-O 3.49Å; F236-Q254 HydrophobicContact CB-CG 4.34Å; F236-I417 HydrophobicContact CE2-CG1 4.45Å; F236-I417 HydrophobicContact CE2-CG2 4.06Å; F236-I417 HydrophobicContact CZ-CG2 4Å; F236-M420 HydrophobicContact CD1-CG 3.74Å; F236-M420 HydrophobicContact CE1-CB 4.06Å; F236-M420 HydrophobicContact CE1-CG 3.56Å; F236-M420 HydrophobicContact CG-CG 4.38Å; F236-M420 HydrophobicContact CZ-CB 4.15Å; F236-M420 HydrophobicContact CZ-CG 4.1Å; F236-V421 HydrophobicContact CE1-CG2 4.36Å; F236-V421 HydrophobicContact CZ-CG2 4.09Å; F236-Y424 HydrophobicContact CD1-CD2 4.29Å; F236-Y424 AromaticContact CD1-CE2 3.71Å; F236-Y424 HydrophobicContact CD1-CE2 3.71Å; F236-Y424 HydrophobicContact CE1-CD2 4.42Å; F236-Y424 HydrophobicContact CE1-CE2 4.29Å; F236-G467 VanDerWaalsContact O-CA 3.24Å; F236-G467 WeakPolarHBondContact O-CA 3.45Å; F236-V468 HydrophobicContact CD1-CB 4.03Å; F236-V468 HydrophobicContact CD2-CB 4.45Å; F236-V468 HydrophobicContact CE1-CB 3.48Å; F236-V468 VanDerWaalsContact CE1-CB 3.48Å; F236-V468 HydrophobicContact CE1-CG1 3.82Å; F236-V468 HydrophobicContact CE1-CG2 3.97Å; F236-V468 HydrophobicContact CE2-CB 3.94Å; F236-V468 HydrophobicContact CE2-CG2 3.76Å; F236-V468 HydrophobicContact CG-CB 4.5Å; F236-V468 HydrophobicContact CZ-CB 3.43Å; F236-V468 VanDerWaalsContact CZ-CB 3.43Å; F236-V468 HydrophobicContact CZ-CG1 4.09Å; F236-V468 HydrophobicContact CZ-CG2 3.37Å; F236-V468 PolarHBondContact N-O 2.94Å; F236-V468 PolarHBondContact O-N 2.72Å
237	I	94.6	Very high	77.6	Confident	5 Å²	5	52.3 Å²	52.3	3%	0.026	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	167.2	172.4	58.1	169	0	0	0	109	L253 L255 A282 L283 L286	I237-L253 HydrophobicContact CD1-CD2 4.4Å; I237-L253 HydrophobicContact CG1-CB 4.16Å; I237-L253 HydrophobicContact CG1-CD2 4.47Å; I237-L253 PolarHBondContact N-O 2.98Å; I237-L253 VanDerWaalsContact N-O 3.12Å; I237-L253 PolarHBondContact O-N 3.47Å; I237-L255 HydrophobicContact CG1-CD1 4.23Å; I237-A282 HydrophobicContact CB-CB 4.36Å; I237-A282 HydrophobicContact CD1-CB 3.93Å; I237-A282 HydrophobicContact CG2-CB 4.34Å; I237-L283 HydrophobicContact CD1-CD2 4.06Å; I237-L283 HydrophobicContact CD1-CG 4.03Å; I237-L283 HydrophobicContact CG2-CD2 3.92Å; I237-L286 HydrophobicContact CG2-CD1 3.86Å
238	V	91	Very high	76.8	Confident	6 Å²	6	59.5 Å²	59.5	4%	0.036	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	130.2	170.4	-174.9	0	0	0	0	109	P250 L252 V400 V402	V238-P250 HydrophobicContact CG1-CB 3.47Å; V238-P250 VanDerWaalsContact CG1-CB 3.47Å; V238-P250 HydrophobicContact CG1-CG 3.46Å; V238-P250 VanDerWaalsContact CG1-CG 3.46Å; V238-L252 HydrophobicContact CG2-CD2 4.12Å; V238-V400 HydrophobicContact CG2-CG1 4.18Å; V238-V400 HydrophobicContact CG2-CG2 3.51Å; V238-V402 HydrophobicContact CB-CG2 4.17Å; V238-V402 HydrophobicContact CG1-CG1 4.43Å; V238-V402 HydrophobicContact CG1-CG2 3.7Å
239	D	84.8	Confident	76.5	Confident	38 Å²	38	59.4 Å²	59.4	20%	0.203	32%	0.317	C	S	.	.			trans	-73.4	138.3	-178.4	-164.5	3.6	0	0	0	111.1	R241 D251 L253	D239-R241 WeakPolarHBondContact OD1-CB 3.28Å; D239-R241 WeakPolarHBondContact OD1-CG 3.5Å; D239-R241 PolarHBondContact OD1-N 3.43Å; D239-D251 WeakPolarHBondContact CB-O 3.34Å; D239-D251 PolarHBondContact N-O 3.48Å; D239-L253 HydrophobicContact CB-CB 4.04Å
240	N	77.8	Confident	76.2	Confident	91 Å²	91	58 Å²	58	49%	0.487	31%	0.312	S	S	.	.			trans	-107.5	6	175.4	-166.8	21.6	0	0	0	112.3	G242 V402	N240-G242 VanDerWaalsContact C-N 3.34Å; N240-V402 HydrophobicContact CB-CG1 3.92Å
241	R	67	Low	76.1	Confident	159 Å²	159	61.1 Å²	61.1	60%	0.6	33%	0.329	S	S	*	.			trans	-85.9	-3.9	-178.8	-66.1	170.5	172.9	176.7	-6.1	114.2	D239 Y280	D239-R241 WeakPolarHBondContact OD1-CB 3.28Å; D239-R241 WeakPolarHBondContact OD1-CG 3.5Å; D239-R241 PolarHBondContact OD1-N 3.43Å; R241-Y280 PolarHBondContact NH2-OH 2.97Å
242	G	55.6	Low	76	Confident	47 Å²	47	62.1 Å²	62.1	49%	0.485	33%	0.334	S	S	.	.	S	Bend	trans	-67.3	143.5	176.6	0	0	0	0	0	112.6	N240	N240-G242 VanDerWaalsContact C-N 3.34Å
243	S	45.7	Very low	75.9	Confident	88 Å²	88	62.8 Å²	62.8	62%	0.615	34%	0.337	S	S	*	.			trans	-54.3	149.7	171	-173.6	0	0	0	0	110.9	S245 N246	S243-S245 PolarHBondContact O-N 3.21Å; S243-N246 PolarHBondContact O-N 3.28Å
244	V	50.6	Low	76	Confident	116 Å²	116	65.5 Å²	65.5	70%	0.703	35%	0.347	S	S	*	.	G	3₁₀ helix	trans	-49.5	-25.7	-176.8	-178.9	0	0	0	0	113.3	N246	V244-N246 VanDerWaalsContact C-N 3.3Å; V244-N246 PolarHBondContact O-N 2.9Å
245	S	48.1	Very low	76.1	Confident	101 Å²	101	63.9 Å²	63.9	71%	0.706	34%	0.34	S	S	*	.	G	3₁₀ helix	trans	-69.4	-15.3	175.1	51.1	0	0	0	0	115.6	S243	S243-S245 PolarHBondContact O-N 3.21Å
246	N	55.1	Low	76	Confident	81 Å²	81	68.5 Å²	68.5	43%	0.433	36%	0.362	S	S	.	.	G	3₁₀ helix	trans	-101.8	10.8	-178.1	-110.4	20.7	0	0	0	114	S243 V244 E248 D249	S243-N246 PolarHBondContact O-N 3.28Å; V244-N246 VanDerWaalsContact C-N 3.3Å; V244-N246 PolarHBondContact O-N 2.9Å; N246-E248 PolarHBondContact O-N 3.34Å; N246-E248 VanDerWaalsContact O-N 3.1Å; N246-D249 CarbonylContact O-C 3.34Å; N246-D249 PolarHBondContact O-N 3.34Å
247	R	60.7	Low	76	Confident	157 Å²	157	68.9 Å²	68.9	59%	0.592	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.1	-23	179	-80.1	-175.4	170.8	-164.3	-8.2	113.8	D405 I407	R247-D405 IonicContact NH2-OD2 3.93Å; R247-I407 WeakPolarHBondContact O-CD1 3.36Å
248	E	64.6	Low	75.9	Confident	169 Å²	169	71.9 Å²	71.9	79%	0.79	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.5	-17.3	177.4	-67.2	-170.1	168.1	0	0	114.2	N246 N410	N246-E248 PolarHBondContact O-N 3.34Å; N246-E248 VanDerWaalsContact O-N 3.1Å; E248-N410 PolarHBondContact O-ND2 3.05Å
249	D	73.8	Confident	75.8	Confident	49 Å²	49	73.2 Å²	73.2	26%	0.262	40%	0.397	S	S	.	.	S	Bend	trans	-147.1	71.4	177.1	-170.4	18.1	0	0	0	111.1	N246 K416	N246-D249 CarbonylContact O-C 3.34Å; N246-D249 PolarHBondContact O-N 3.34Å; D249-K416 WeakPolarHBondContact OD1-CE 3.13Å; D249-K416 IonicContact OD1-NZ 3.35Å; D249-K416 PolarHBondContact OD1-NZ 2.89Å; D249-K416 IonicContact OD2-NZ 3.46Å; D249-K416 PolarHBondContact OD2-NZ 2.89Å; D249-K416 VanDerWaalsContact OD2-NZ 3.13Å
250	P	78.3	Confident	75.7	Confident	10 Å²	10	73 Å²	73	7%	0.065	40%	0.399	C	S	.	.	P	Polyproline II helix	trans	-70.3	148.3	-179.8	30.6	-35.6	0	0	0	111.6	V238 I407 L413	V238-P250 HydrophobicContact CG1-CB 3.47Å; V238-P250 VanDerWaalsContact CG1-CB 3.47Å; V238-P250 HydrophobicContact CG1-CG 3.46Å; V238-P250 VanDerWaalsContact CG1-CG 3.46Å; P250-I407 HydrophobicContact CG-CD1 3.84Å; P250-L413 HydrophobicContact CG-CD1 4.32Å; P250-L413 HydrophobicContact CG-CD2 3.95Å
251	D	86.7	Confident	76.2	Confident	93 Å²	93	70.3 Å²	70.3	50%	0.497	39%	0.386	S	S	.	.	P	Polyproline II helix	trans	-84.2	167.3	175.4	-81.1	-34.3	0	0	0	112.3	D239 K416	D239-D251 WeakPolarHBondContact CB-O 3.34Å; D239-D251 PolarHBondContact N-O 3.48Å; D251-K416 IonicContact OD1-NZ 3.82Å; D251-K416 PolarHBondContact OD1-NZ 3.48Å
252	L	90.8	Very high	77.4	Confident	29 Å²	29	63.1 Å²	63.1	15%	0.152	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	125	178.7	-60.1	178.4	0	0	0	110.1	F236 V238 L413 I417 M420	F236-L252 HydrophobicContact CD2-CD1 4.16Å; F236-L252 HydrophobicContact CD2-CD2 4.12Å; F236-L252 HydrophobicContact CE2-CD1 4.09Å; F236-L252 HydrophobicContact CE2-CD2 4.3Å; V238-L252 HydrophobicContact CG2-CD2 4.12Å; L252-L413 HydrophobicContact CD2-CD1 4.44Å; L252-I417 HydrophobicContact CD1-CG1 4.33Å; L252-I417 HydrophobicContact CD2-CG1 4.07Å; L252-M420 HydrophobicContact CD1-CB 3.93Å; L252-M420 HydrophobicContact CD1-CE 4.23Å; L252-M420 HydrophobicContact CD1-CG 4.25Å
253	L	92.5	Very high	79.1	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.089	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	111.5	172.6	-175	62.8	0	0	0	109.2	F236 I237 D239 L255 I270 Y280	F236-L253 WeakPolarHBondContact CA-O 3.49Å; F236-L253 WeakPolarHBondContact CB-O 3.49Å; I237-L253 HydrophobicContact CD1-CD2 4.4Å; I237-L253 HydrophobicContact CG1-CB 4.16Å; I237-L253 HydrophobicContact CG1-CD2 4.47Å; I237-L253 PolarHBondContact N-O 2.98Å; I237-L253 VanDerWaalsContact N-O 3.12Å; I237-L253 PolarHBondContact O-N 3.47Å; D239-L253 HydrophobicContact CB-CB 4.04Å; L253-L255 WeakPolarHBondContact O-CD1 3.48Å; L253-I270 HydrophobicContact CD1-CD1 3.98Å; L253-I270 HydrophobicContact CD1-CG2 4.11Å; L253-I270 HydrophobicContact CD2-CD1 3.77Å; L253-I270 HydrophobicContact CG-CD1 4Å; L253-Y280 HydrophobicContact CD2-CD1 4.1Å; L253-Y280 HydrophobicContact CD2-CE1 3.63Å
254	Q	94.1	Very high	81.2	Confident	82 Å²	82	61.3 Å²	61.3	38%	0.383	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	138.6	177	-67.3	174.9	72.6	0	0	110.4	F236 M420	F236-Q254 HydrophobicContact CB-CG 4.34Å; Q254-M420 HydrophobicContact CG-CE 4.1Å; Q254-M420 HydrophobicContact CG-SD 4.47Å
255	L	95	Very high	83	Confident	1 Å²	1	60.1 Å²	60.1	1%	0.005	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	144	178	-52.3	100.2	0	0	0	110.1	K234 M235 I237 L253 V268 T269 I270 I275 L283	K234-L255 CarbonylContact C-O 3.46Å; K234-L255 VanDerWaalsContact CA-O 3.32Å; K234-L255 WeakPolarHBondContact CA-O 3.44Å; M235-L255 HydrophobicContact CE-CB 4.02Å; M235-L255 HydrophobicContact CE-CD1 4.41Å; M235-L255 HydrophobicContact CE-CD2 4.1Å; M235-L255 HydrophobicContact CE-CG 4.41Å; M235-L255 HydrophobicContact CG-CB 3.86Å; M235-L255 HydrophobicContact CG-CD1 4.06Å; M235-L255 PolarHBondContact N-O 3.26Å; M235-L255 PolarHBondContact O-N 2.98Å; I237-L255 HydrophobicContact CG1-CD1 4.23Å; L253-L255 WeakPolarHBondContact O-CD1 3.48Å; L255-V268 HydrophobicContact CB-CG1 3.96Å; L255-V268 HydrophobicContact CD2-CG1 3.7Å; L255-V268 HydrophobicContact CG-CG1 4.49Å; L255-T269 WeakPolarHBondContact CA-O 3.32Å; L255-I270 HydrophobicContact CD2-CD1 3.77Å; L255-I270 HydrophobicContact CD2-CG1 3.76Å; L255-I270 HydrophobicContact CG-CD1 4.2Å; L255-I270 HydrophobicContact CG-CG1 3.9Å; L255-I275 HydrophobicContact CD2-CD1 3.54Å; L255-L283 HydrophobicContact CD1-CD2 4.29Å; L255-L283 HydrophobicContact CD2-CD1 3.87Å; L255-L283 HydrophobicContact CD2-CD2 4.42Å
256	E	94.7	Very high	85	Confident	96 Å²	96	56.4 Å²	56.4	45%	0.449	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	142.8	175.1	-58.7	-168.8	153.5	0	0	110.3	S233 K234 V268 T269	S233-E256 WeakPolarHBondContact O-CA 3.38Å; K234-E256 WeakPolarHBondContact CE-OE1 3.38Å; K234-E256 HydrophobicContact CG-CG 4.4Å; K234-E256 IonicContact NZ-OE1 3.01Å; E256-V268 CarbonylContact O-C 3.55Å; E256-V268 WeakPolarHBondContact O-CA 3.29Å; E256-T269 PolarHBondContact N-O 2.79Å; E256-T269 PolarHBondContact O-N 2.66Å; E256-T269 PolarHBondContact O-OG1 3.35Å
257	V	94.5	Very high	86.8	Confident	12 Å²	12	58 Å²	58	7%	0.073	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	124	-175.8	-175.9	0	0	0	0	108.5	V232 S233 M235 V268 L321 K324	V232-V257 HydrophobicContact CG1-CG2 4.36Å; V232-V257 WeakPolarHBondContact O-CB 3.45Å; S233-V257 PolarHBondContact O-N 2.75Å; M235-V257 HydrophobicContact CE-CG2 4.37Å; V257-V268 HydrophobicContact CG2-CG2 4.28Å; V257-L321 HydrophobicContact CG1-CD1 4.06Å; V257-L321 HydrophobicContact CG2-CD1 3.88Å; V257-K324 HydrophobicContact CG1-CD 3.87Å
258	T	92.5	Very high	88.4	Confident	68 Å²	68	50.7 Å²	50.7	42%	0.417	28%	0.277	S	S	.	.			trans	-87.2	162.7	177.4	66.4	0	0	0	0	112.2	G266 Q267 K324	T258-G266 WeakPolarHBondContact OG1-CA 3.38Å; T258-Q267 PolarHBondContact N-O 3.49Å; T258-Q267 PolarHBondContact OG1-N 2.77Å; T258-Q267 PolarHBondContact OG1-O 2.85Å; T258-K324 PolarHBondContact O-NZ 3.46Å
259	G	88.2	Confident	89.9	Confident	33 Å²	33	43.2 Å²	43.2	34%	0.34	24%	0.243	S	C	.	.			trans	94	120.3	-176.4	0	0	0	0	0	112.4	S231 K324	S231-G259 PolarHBondContact OG-O 3.47Å; G259-K324 PolarHBondContact O-NZ 3.46Å
260	S	83.9	Confident	90.8	Very high	33 Å²	33	41.7 Å²	41.7	23%	0.231	24%	0.235	C	C	.	.	S	Bend	trans	-98.8	2.8	-176.2	45.5	0	0	0	0	114	T227 P474	T227-S260 PolarHBondContact OG1-O 2.82Å; S260-P474 VanDerWaalsContact CB-CG 3.47Å; S260-P474 WeakPolarHBondContact O-CG 3.49Å
261	T	88.1	Confident	91.2	Very high	36 Å²	36	48.8 Å²	48.8	22%	0.221	27%	0.272	C	S	.	.	S	Bend	trans	-120.9	173.9	-175.8	61.1	0	0	0	0	111.3	E263	T261-E263 PolarHBondContact O-N 3.35Å; T261-E263 WeakPolarHBondContact OG1-CB 3.41Å; T261-E263 WeakPolarHBondContact OG1-CG 3.3Å; T261-E263 PolarHBondContact OG1-N 2.8Å
262	Y	91.6	Very high	91.3	Very high	8 Å²	8	47.2 Å²	47.2	3%	0.031	28%	0.278	C	S	.	.	S	Bend	trans	-75.6	3	169.3	-64.1	-47.7	0	0	0	113.6	Q229 M230 K309 A313 T316 V320	Q229-Y262 HydrophobicContact CB-CD2 3.99Å; Q229-Y262 HydrophobicContact CB-CE1 4.4Å; Q229-Y262 HydrophobicContact CB-CE2 3.81Å; Q229-Y262 HydrophobicContact CB-CG 4.33Å; Q229-Y262 HydrophobicContact CG-CD2 3.75Å; Q229-Y262 HydrophobicContact CG-CE2 3.69Å; Q229-Y262 HydrophobicContact CG-CG 4.47Å; M230-Y262 PolarHBondContact N-OH 3.12Å; M230-Y262 WeakPolarHBondContact O-CE1 3.22Å; Y262-K309 HydrophobicContact CD2-CB 4.39Å; Y262-K309 HydrophobicContact CE2-CB 3.9Å; Y262-K309 HydrophobicContact CE2-CD 4.48Å; Y262-K309 HydrophobicContact CE2-CG 4.26Å; Y262-A313 WeakPolarHBondContact OH-CB 3.25Å; Y262-T316 HydrophobicContact CD1-CG2 3.67Å; Y262-T316 HydrophobicContact CE1-CG2 3.76Å; Y262-T316 HydrophobicContact CG-CG2 4.13Å; Y262-V320 HydrophobicContact CD1-CG2 4.16Å; Y262-V320 WeakPolarHBondContact O-CG2 3.44Å
263	E	91	Very high	91.4	Very high	83 Å²	83	55 Å²	55	39%	0.388	31%	0.305	S	S	.	.	S	Bend	trans	-64.1	137.4	171.3	-61.1	-169.1	149	0	0	109.7	T261 V265 Y307	T261-E263 PolarHBondContact O-N 3.35Å; T261-E263 WeakPolarHBondContact OG1-CB 3.41Å; T261-E263 WeakPolarHBondContact OG1-CG 3.3Å; T261-E263 PolarHBondContact OG1-N 2.8Å; E263-V265 HydrophobicContact CB-CB 4.41Å; E263-V265 HydrophobicContact CB-CG2 4.32Å; E263-V265 PolarHBondContact O-N 3Å; E263-Y307 HydrophobicContact CB-CD2 4.27Å; E263-Y307 HydrophobicContact CG-CD2 3.78Å; E263-Y307 HydrophobicContact CG-CE2 4.3Å
264	P	90.7	Very high	91.4	Very high	13 Å²	13	58.3 Å²	58.3	8%	0.084	33%	0.327	C	S	.	.	S	Bend	trans	-75.2	36.3	176.3	35.4	-39.4	0	0	0	111.8	Y307 E323 L340	P264-Y307 HydrophobicContact CG-CE1 4.29Å; P264-E323 HydrophobicContact CB-CB 3.63Å; P264-E323 HydrophobicContact CB-CG 4.12Å; P264-L340 HydrophobicContact CG-CB 4.45Å; P264-L340 HydrophobicContact CG-CD2 3.63Å; P264-L340 HydrophobicContact CG-CG 4.06Å
265	V	88.8	Confident	91.4	Very high	92 Å²	92	56.2 Å²	56.2	56%	0.558	32%	0.318	S	S	*	.			trans	-114.1	122.4	-179.2	-177.8	0	0	0	0	108.4	E263 K324	E263-V265 HydrophobicContact CB-CB 4.41Å; E263-V265 HydrophobicContact CB-CG2 4.32Å; E263-V265 PolarHBondContact O-N 3Å; V265-K324 WeakPolarHBondContact O-CE 3.23Å
266	G	90.2	Very high	91.3	Very high	22 Å²	22	63.8 Å²	63.8	23%	0.227	35%	0.347	C	S	.	.			trans	161.2	164.3	-177.3	0	0	0	0	0	110.8	T258	T258-G266 WeakPolarHBondContact OG1-CA 3.38Å
267	Q	92.1	Very high	91.2	Very high	114 Å²	114	59.4 Å²	59.4	53%	0.533	33%	0.327	S	S	.	.			trans	-130.3	149.4	178.7	-64.5	-178	2.6	0	0	109.4	T258	T258-Q267 PolarHBondContact N-O 3.49Å; T258-Q267 PolarHBondContact OG1-N 2.77Å; T258-Q267 PolarHBondContact OG1-O 2.85Å
268	V	95.2	Very high	91	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.024	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	130.8	170.7	-176.7	0	0	0	0	108.2	M235 L255 E256 V257 P274 I275 C277 M325	M235-V268 HydrophobicContact CE-CB 4.48Å; M235-V268 HydrophobicContact CE-CG1 3.51Å; M235-V268 HydrophobicContact CE-CG2 4.12Å; L255-V268 HydrophobicContact CB-CG1 3.96Å; L255-V268 HydrophobicContact CD2-CG1 3.7Å; L255-V268 HydrophobicContact CG-CG1 4.49Å; E256-V268 CarbonylContact O-C 3.55Å; E256-V268 WeakPolarHBondContact O-CA 3.29Å; V257-V268 HydrophobicContact CG2-CG2 4.28Å; V268-P274 WeakPolarHBondContact O-CA 3.33Å; V268-I275 HydrophobicContact CB-CG1 4.31Å; V268-I275 HydrophobicContact CG1-CD1 4.06Å; V268-I275 HydrophobicContact CG1-CG1 4.1Å; V268-I275 WeakPolarHBondContact O-CG1 3.32Å; V268-I275 PolarHBondContact O-N 3.34Å; V268-C277 VanDerWaalsContact CG2-SG 3.58Å; V268-M325 HydrophobicContact CG2-CG 4.05Å
269	T	95.4	Very high	90.9	Very high	13 Å²	13	62 Å²	62	8%	0.08	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	150.3	-176.7	66.4	0	0	0	0	111.5	L255 E256 R273 P274	L255-T269 WeakPolarHBondContact CA-O 3.32Å; E256-T269 PolarHBondContact N-O 2.79Å; E256-T269 PolarHBondContact O-N 2.66Å; E256-T269 PolarHBondContact O-OG1 3.35Å; T269-R273 CarbonylContact C-O 3.58Å; T269-R273 WeakPolarHBondContact CA-O 3.43Å; T269-R273 WeakPolarHBondContact CB-O 3.21Å; T269-P274 HydrophobicContact CG2-CB 4.49Å
270	I	93	Very high	91.1	Very high	17 Å²	17	61.7 Å²	61.7	9%	0.087	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	124.2	167.2	-66.1	171.6	0	0	0	106.3	L253 L255 G272 R273 I275 Y280	L253-I270 HydrophobicContact CD1-CD1 3.98Å; L253-I270 HydrophobicContact CD1-CG2 4.11Å; L253-I270 HydrophobicContact CD2-CD1 3.77Å; L253-I270 HydrophobicContact CG-CD1 4Å; L255-I270 HydrophobicContact CD2-CD1 3.77Å; L255-I270 HydrophobicContact CD2-CG1 3.76Å; L255-I270 HydrophobicContact CG-CD1 4.2Å; L255-I270 HydrophobicContact CG-CG1 3.9Å; I270-G272 PolarHBondContact O-N 2.8Å; I270-R273 PolarHBondContact N-O 2.89Å; I270-R273 PolarHBondContact O-N 3.12Å; I270-I275 HydrophobicContact CB-CG2 4.25Å; I270-I275 HydrophobicContact CD1-CD1 3.91Å; I270-I275 HydrophobicContact CD1-CG1 4.4Å; I270-I275 HydrophobicContact CD1-CG2 4.08Å; I270-I275 HydrophobicContact CG1-CD1 4.29Å; I270-I275 HydrophobicContact CG1-CG1 4.42Å; I270-I275 HydrophobicContact CG1-CG2 4.19Å; I270-Y280 HydrophobicContact CD1-CE1 4.31Å; I270-Y280 VanDerWaalsContact CD1-OH 3.28Å; I270-Y280 WeakPolarHBondContact CD1-OH 3.37Å
271	D	87.2	Confident	91.4	Very high	159 Å²	159	65.5 Å²	65.5	85%	0.85	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	42	-176.2	-55.1	-37.9	0	0	0	112.7	R273	D271-R273 PolarHBondContact O-N 2.95Å
272	G	87.8	Confident	91.6	Very high	59 Å²	59	64 Å²	64	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.6	-0.4	-179.1	0	0	0	0	0	115.7	I270	I270-G272 PolarHBondContact O-N 2.8Å
273	R	92.7	Very high	91.8	Very high	193 Å²	193	63.6 Å²	63.6	73%	0.728	33%	0.333	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.2	177.9	-62.9	-177.9	-177.4	-179	1.4	111	T269 I270 D271	T269-R273 CarbonylContact C-O 3.58Å; T269-R273 WeakPolarHBondContact CA-O 3.43Å; T269-R273 WeakPolarHBondContact CB-O 3.21Å; I270-R273 PolarHBondContact N-O 2.89Å; I270-R273 PolarHBondContact O-N 3.12Å; D271-R273 PolarHBondContact O-N 2.95Å
274	P	93.1	Very high	91.9	Very high	86 Å²	86	61 Å²	61	56%	0.558	32%	0.323	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.6	139.9	177.7	27.5	-33.6	0	0	0	111.1	V268 T269	V268-P274 WeakPolarHBondContact O-CA 3.33Å; T269-P274 HydrophobicContact CG2-CB 4.49Å
275	I	93.9	Very high	92.1	Very high	38 Å²	38	61.5 Å²	61.5	20%	0.195	32%	0.324	C	S	.	.			trans	-123.5	156.2	180	60	138.3	0	0	0	111	L255 V268 I270 Y280 L283	L255-I275 HydrophobicContact CD2-CD1 3.54Å; V268-I275 HydrophobicContact CB-CG1 4.31Å; V268-I275 HydrophobicContact CG1-CD1 4.06Å; V268-I275 HydrophobicContact CG1-CG1 4.1Å; V268-I275 WeakPolarHBondContact O-CG1 3.32Å; V268-I275 PolarHBondContact O-N 3.34Å; I270-I275 HydrophobicContact CB-CG2 4.25Å; I270-I275 HydrophobicContact CD1-CD1 3.91Å; I270-I275 HydrophobicContact CD1-CG1 4.4Å; I270-I275 HydrophobicContact CD1-CG2 4.08Å; I270-I275 HydrophobicContact CG1-CD1 4.29Å; I270-I275 HydrophobicContact CG1-CG1 4.42Å; I270-I275 HydrophobicContact CG1-CG2 4.19Å; I275-Y280 HydrophobicContact CB-CE2 4.32Å; I275-Y280 HydrophobicContact CD1-CD2 4.09Å; I275-Y280 HydrophobicContact CD1-CE2 3.51Å; I275-L283 HydrophobicContact CD1-CD1 4.06Å
276	R	92.6	Very high	92.5	Very high	160 Å²	160	57.1 Å²	57.1	60%	0.604	30%	0.297	S	S	*	.			trans	-87.9	118.6	165.8	-68.3	-175.5	-62.5	-166.2	-1.1	108.8	S278 D279	R276-S278 PolarHBondContact O-N 3.3Å; R276-D279 IonicContact CZ-OD2 3.38Å; R276-D279 IonicContact NE-OD1 3.83Å; R276-D279 IonicContact NE-OD2 3.12Å; R276-D279 PolarHBondContact NE-OD2 3.39Å; R276-D279 IonicContact NH2-OD1 3.87Å; R276-D279 IonicContact NH2-OD2 2.82Å; R276-D279 PolarHBondContact NH2-OD2 2.89Å; R276-D279 PolarHBondContact O-N 2.87Å
277	C	92.1	Very high	92.8	Very high	5 Å²	5	56 Å²	56	3%	0.034	29%	0.286	C	S	.	.	G	3₁₀ helix	trans	-66.6	-23.4	-179.8	-62.3	0	0	0	0	112.5	V268 D279 Y280 L283 M325 V327	V268-C277 VanDerWaalsContact CG2-SG 3.58Å; C277-D279 PolarHBondContact O-N 2.88Å; C277-Y280 PolarHBondContact O-N 3.43Å; C277-L283 HydrophobicContact CB-CB 4.37Å; C277-L283 HydrophobicContact CB-CD1 4Å; C277-M325 HydrophobicContact CB-CB 4.21Å; C277-M325 HydrophobicContact CB-CE 4.34Å; C277-M325 WeakPolarHBondContact CB-O 3.23Å; C277-V327 HydrophobicContact CB-CG1 3.84Å
278	S	91.3	Very high	93	Very high	31 Å²	31	51 Å²	51	22%	0.217	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-61.7	-22.5	174.4	44.2	0	0	0	0	113.7	R276 Y280 V327 N329	R276-S278 PolarHBondContact O-N 3.3Å; S278-Y280 PolarHBondContact O-N 2.9Å; S278-V327 WeakPolarHBondContact CB-O 3.44Å; S278-N329 WeakPolarHBondContact CB-ND2 3.41Å; S278-N329 PolarHBondContact OG-ND2 2.86Å; S278-N329 PolarHBondContact OG-OD1 3.25Å
279	D	90.2	Very high	93	Very high	102 Å²	102	50.9 Å²	50.9	55%	0.545	26%	0.262	S	S	.	.	G	3₁₀ helix	trans	-77.2	-3.8	178.5	-63.2	-24.7	0	0	0	112.6	R276 C277	R276-D279 IonicContact CZ-OD2 3.38Å; R276-D279 IonicContact NE-OD1 3.83Å; R276-D279 IonicContact NE-OD2 3.12Å; R276-D279 PolarHBondContact NE-OD2 3.39Å; R276-D279 IonicContact NH2-OD1 3.87Å; R276-D279 IonicContact NH2-OD2 2.82Å; R276-D279 PolarHBondContact NH2-OD2 2.89Å; R276-D279 PolarHBondContact O-N 2.87Å; C277-D279 PolarHBondContact O-N 2.88Å
280	Y	91.6	Very high	93.1	Very high	28 Å²	28	50.2 Å²	50.2	11%	0.11	26%	0.259	C	S	.	.			trans	-127.7	110.1	-178	-53.9	-105.3	0	0	0	111.1	R241 L253 I270 I275 C277 S278 A282 L283 V284	R241-Y280 PolarHBondContact NH2-OH 2.97Å; L253-Y280 HydrophobicContact CD2-CD1 4.1Å; L253-Y280 HydrophobicContact CD2-CE1 3.63Å; I270-Y280 HydrophobicContact CD1-CE1 4.31Å; I270-Y280 VanDerWaalsContact CD1-OH 3.28Å; I270-Y280 WeakPolarHBondContact CD1-OH 3.37Å; I275-Y280 HydrophobicContact CB-CE2 4.32Å; I275-Y280 HydrophobicContact CD1-CD2 4.09Å; I275-Y280 HydrophobicContact CD1-CE2 3.51Å; C277-Y280 PolarHBondContact O-N 3.43Å; S278-Y280 PolarHBondContact O-N 2.9Å; Y280-A282 VanDerWaalsContact C-N 3.31Å; Y280-A282 PolarHBondContact O-N 2.89Å; Y280-L283 HydrophobicContact CD2-CD1 3.89Å; Y280-L283 HydrophobicContact CG-CD1 3.97Å; Y280-L283 HydrophobicContact CG-CG 4.4Å; Y280-L283 WeakPolarHBondContact O-CB 3.28Å; Y280-L283 PolarHBondContact O-N 3.26Å; Y280-V284 PolarHBondContact O-N 2.82Å
281	E	91.3	Very high	93.2	Very high	113 Å²	113	49.6 Å²	49.6	53%	0.528	26%	0.256	S	S	.	.	H	α-helix	trans	-60	-38	-176.6	-65.4	173	145.7	0	0	113.2	L283 V284 E285 A404	E281-L283 VanDerWaalsContact C-N 3.25Å; E281-L283 PolarHBondContact O-N 3.25Å; E281-V284 WeakPolarHBondContact O-CB 3.33Å; E281-V284 PolarHBondContact O-N 3.25Å; E281-V284 VanDerWaalsContact O-N 3.12Å; E281-E285 PolarHBondContact O-N 3.35Å; E281-E285 VanDerWaalsContact O-N 3.07Å; E281-A404 WeakPolarHBondContact OE2-CA 3.32Å; E281-A404 WeakPolarHBondContact OE2-CB 3.5Å; E281-A404 PolarHBondContact OE2-N 3.04Å
282	A	92.3	Very high	93.6	Very high	3 Å²	3	42.2 Å²	42.2	3%	0.025	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-30.9	175.7	0	0	0	0	0	112.4	I237 Y280 E285 L286 V466	I237-A282 HydrophobicContact CB-CB 4.36Å; I237-A282 HydrophobicContact CD1-CB 3.93Å; I237-A282 HydrophobicContact CG2-CB 4.34Å; Y280-A282 VanDerWaalsContact C-N 3.31Å; Y280-A282 PolarHBondContact O-N 2.89Å; A282-E285 PolarHBondContact O-N 3.47Å; A282-L286 VanDerWaalsContact O-CB 3.26Å; A282-L286 WeakPolarHBondContact O-CB 3.35Å; A282-L286 PolarHBondContact O-N 3.15Å; A282-V466 WeakPolarHBondContact O-CG1 3.45Å
283	L	94.7	Very high	94	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-72.7	-33.8	174.3	-67	-176.3	0	0	0	111.9	M235 I237 L255 I275 C277 Y280 E281 E285 L286 A287 M325	M235-L283 HydrophobicContact CE-CD2 3.88Å; M235-L283 HydrophobicContact SD-CD2 4.32Å; I237-L283 HydrophobicContact CD1-CD2 4.06Å; I237-L283 HydrophobicContact CD1-CG 4.03Å; I237-L283 HydrophobicContact CG2-CD2 3.92Å; L255-L283 HydrophobicContact CD1-CD2 4.29Å; L255-L283 HydrophobicContact CD2-CD1 3.87Å; L255-L283 HydrophobicContact CD2-CD2 4.42Å; I275-L283 HydrophobicContact CD1-CD1 4.06Å; C277-L283 HydrophobicContact CB-CB 4.37Å; C277-L283 HydrophobicContact CB-CD1 4Å; Y280-L283 HydrophobicContact CD2-CD1 3.89Å; Y280-L283 HydrophobicContact CG-CD1 3.97Å; Y280-L283 HydrophobicContact CG-CG 4.4Å; Y280-L283 WeakPolarHBondContact O-CB 3.28Å; Y280-L283 PolarHBondContact O-N 3.26Å; E281-L283 VanDerWaalsContact C-N 3.25Å; E281-L283 PolarHBondContact O-N 3.25Å; L283-E285 VanDerWaalsContact C-N 3.34Å; L283-L286 PolarHBondContact O-N 2.75Å; L283-A287 WeakPolarHBondContact O-CB 3.1Å; L283-A287 PolarHBondContact O-N 3.44Å; L283-M325 HydrophobicContact CB-CE 3.67Å; L283-M325 HydrophobicContact CD2-CE 4.05Å; L283-M325 HydrophobicContact CG-CE 4.31Å; L283-M325 VanDerWaalsContact O-CE 3.23Å; L283-M325 WeakPolarHBondContact O-CE 3.18Å
284	V	94.8	Very high	94.1	Very high	30 Å²	30	30.7 Å²	30.7	18%	0.182	16%	0.155	C	C	.	.	H	α-helix	trans	-61.1	-46	172.4	-175.6	0	0	0	0	110	Y280 E281 A287 T288 V327	Y280-V284 PolarHBondContact O-N 2.82Å; E281-V284 WeakPolarHBondContact O-CB 3.33Å; E281-V284 PolarHBondContact O-N 3.25Å; E281-V284 VanDerWaalsContact O-N 3.12Å; V284-A287 PolarHBondContact O-N 3.03Å; V284-T288 PolarHBondContact O-N 2.76Å; V284-T288 PolarHBondContact O-OG1 3.32Å; V284-V327 HydrophobicContact CG1-CG2 4.16Å; V284-V327 HydrophobicContact CG2-CB 4.16Å
285	E	94.6	Very high	94	Very high	22 Å²	22	31 Å²	31	10%	0.103	15%	0.152	C	C	.	.	H	α-helix	trans	-68.7	-38.5	177.7	-163.7	167.9	-136.7	0	0	111.9	E281 A282 L283 A287 T288 I289 K383 R401 V466	E281-E285 PolarHBondContact O-N 3.35Å; E281-E285 VanDerWaalsContact O-N 3.07Å; A282-E285 PolarHBondContact O-N 3.47Å; L283-E285 VanDerWaalsContact C-N 3.34Å; E285-A287 PolarHBondContact O-N 3.28Å; E285-T288 WeakPolarHBondContact O-CB 3.38Å; E285-T288 PolarHBondContact O-N 2.87Å; E285-T288 VanDerWaalsContact O-N 3.16Å; E285-I289 HydrophobicContact CG-CD1 4.39Å; E285-I289 WeakPolarHBondContact O-CG1 3.41Å; E285-I289 PolarHBondContact O-N 3.41Å; E285-K383 IonicContact OE1-NZ 3.87Å; E285-K383 PolarHBondContact OE1-NZ 3.05Å; E285-R401 IonicContact OE1-CZ 3.15Å; E285-R401 IonicContact OE1-NH1 3.24Å; E285-R401 PolarHBondContact OE1-NH1 2.92Å; E285-R401 IonicContact OE1-NH2 2.99Å; E285-R401 WeakPolarHBondContact OE2-CG 3.46Å; E285-R401 IonicContact OE2-CZ 3.67Å; E285-R401 IonicContact OE2-NE 3.06Å; E285-R401 PolarHBondContact OE2-NE 3.42Å; E285-R401 IonicContact OE2-NH1 2.71Å; E285-R401 PolarHBondContact OE2-NH1 3.44Å; E285-R401 IonicContact OE2-NH2 2.79Å; E285-V466 HydrophobicContact CB-CG1 4.09Å; E285-V466 HydrophobicContact CG-CG1 4.36Å; E285-V466 HydrophobicContact CG-CG2 4.07Å; E285-V466 WeakPolarHBondContact OE2-CG2 3.46Å
286	L	96	Very high	93.9	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-59.5	-45.4	174.1	-168.9	152.7	0	0	0	111.7	M235 I237 A282 L283 T288 I289 S290 L321 M325 L436 V466 V469	M235-L286 HydrophobicContact SD-CD1 4.44Å; M235-L286 HydrophobicContact SD-CD2 4.21Å; I237-L286 HydrophobicContact CG2-CD1 3.86Å; A282-L286 VanDerWaalsContact O-CB 3.26Å; A282-L286 WeakPolarHBondContact O-CB 3.35Å; A282-L286 PolarHBondContact O-N 3.15Å; L283-L286 PolarHBondContact O-N 2.75Å; L286-T288 VanDerWaalsContact C-N 3.33Å; L286-I289 PolarHBondContact O-N 2.92Å; L286-S290 WeakPolarHBondContact O-CB 3.29Å; L286-S290 PolarHBondContact O-N 3.47Å; L286-S290 PolarHBondContact O-OG 2.85Å; L286-L321 HydrophobicContact CD2-CD2 4.15Å; L286-M325 HydrophobicContact CD2-CE 4.28Å; L286-M325 HydrophobicContact CD2-SD 4.14Å; L286-L436 HydrophobicContact CD1-CD1 4.44Å; L286-L436 HydrophobicContact CD2-CD1 3.9Å; L286-L436 HydrophobicContact CG-CD1 3.75Å; L286-V466 HydrophobicContact CB-CG1 4.13Å; L286-V469 HydrophobicContact CD1-CG1 4.45Å; L286-V469 HydrophobicContact CD2-CG1 3.97Å
287	A	96.5	Very high	93.8	Very high	0 Å²	0	25 Å²	25	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-64.2	-39.3	175	0	0	0	0	0	111.5	L283 V284 E285 S290 A291 V322 M325 V327	L283-A287 WeakPolarHBondContact O-CB 3.1Å; L283-A287 PolarHBondContact O-N 3.44Å; V284-A287 PolarHBondContact O-N 3.03Å; E285-A287 PolarHBondContact O-N 3.28Å; A287-S290 PolarHBondContact O-N 3.01Å; A287-A291 WeakPolarHBondContact O-CB 3.15Å; A287-A291 PolarHBondContact O-N 3.13Å; A287-V322 HydrophobicContact CB-CG2 4.43Å; A287-V322 WeakPolarHBondContact O-CG2 3.27Å; A287-M325 HydrophobicContact CB-CE 4.06Å; A287-M325 HydrophobicContact CB-SD 4.16Å; A287-V327 HydrophobicContact CB-CG1 3.71Å; A287-V327 HydrophobicContact CB-CG2 3.94Å
288	T	95.9	Very high	93.8	Very high	9 Å²	9	25 Å²	25	6%	0.055	14%	0.135	C	C	.	.	H	α-helix	trans	-61.3	-47	176.4	-54.9	0	0	0	0	111.3	V284 E285 L286 S290 A291 M292 F385	V284-T288 PolarHBondContact O-N 2.76Å; V284-T288 PolarHBondContact O-OG1 3.32Å; E285-T288 WeakPolarHBondContact O-CB 3.38Å; E285-T288 PolarHBondContact O-N 2.87Å; E285-T288 VanDerWaalsContact O-N 3.16Å; L286-T288 VanDerWaalsContact C-N 3.33Å; T288-S290 VanDerWaalsContact C-N 3.31Å; T288-S290 PolarHBondContact O-N 3.37Å; T288-A291 PolarHBondContact O-N 3.45Å; T288-M292 HydrophobicContact CG2-CG 4.2Å; T288-M292 WeakPolarHBondContact O-CB 3.48Å; T288-M292 WeakPolarHBondContact O-CG 3.07Å; T288-M292 PolarHBondContact O-N 3.31Å; T288-F385 HydrophobicContact CG2-CE1 4.18Å; T288-F385 HydrophobicContact CG2-CE2 3.94Å; T288-F385 HydrophobicContact CG2-CZ 3.65Å
289	I	96.9	Very high	93.9	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	14%	0.141	C	C	.	.	H	α-helix	trans	-61.4	-43.2	176.3	-63.9	160.4	0	0	0	110.2	E285 L286 A291 C293 F385 L436 V466	E285-I289 HydrophobicContact CG-CD1 4.39Å; E285-I289 WeakPolarHBondContact O-CG1 3.41Å; E285-I289 PolarHBondContact O-N 3.41Å; L286-I289 PolarHBondContact O-N 2.92Å; I289-A291 VanDerWaalsContact C-N 3.32Å; I289-A291 PolarHBondContact O-N 3.08Å; I289-C293 HydrophobicContact CG2-CB 4.25Å; I289-C293 WeakPolarHBondContact O-CA 3.38Å; I289-C293 WeakPolarHBondContact O-CB 3.23Å; I289-C293 PolarHBondContact O-N 3.09Å; I289-F385 HydrophobicContact CB-CB 4.39Å; I289-F385 HydrophobicContact CG1-CB 4.07Å; I289-F385 HydrophobicContact CG1-CD1 3.62Å; I289-F385 HydrophobicContact CG1-CE1 4.42Å; I289-F385 HydrophobicContact CG1-CG 4.11Å; I289-F385 HydrophobicContact CG2-CB 4.22Å; I289-L436 HydrophobicContact CD1-CB 4.25Å; I289-L436 HydrophobicContact CG2-CB 4.03Å; I289-L436 HydrophobicContact CG2-CD2 3.93Å; I289-L436 HydrophobicContact CG2-CG 4.43Å; I289-V466 HydrophobicContact CD1-CB 3.91Å; I289-V466 HydrophobicContact CD1-CG1 4.34Å; I289-V466 HydrophobicContact CD1-CG2 3.68Å
290	S	96.6	Very high	94	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	12%	0.123	C	C	.	.	H	α-helix	trans	-65.2	-33	-178.9	-60.4	0	0	0	0	113.3	L286 A287 T288 N294	L286-S290 WeakPolarHBondContact O-CB 3.29Å; L286-S290 PolarHBondContact O-N 3.47Å; L286-S290 PolarHBondContact O-OG 2.85Å; A287-S290 PolarHBondContact O-N 3.01Å; T288-S290 VanDerWaalsContact C-N 3.31Å; T288-S290 PolarHBondContact O-N 3.37Å; S290-N294 VanDerWaalsContact O-CB 3.32Å; S290-N294 WeakPolarHBondContact O-CB 3.36Å; S290-N294 PolarHBondContact O-ND2 2.66Å
291	A	96	Very high	93.8	Very high	3 Å²	3	24.3 Å²	24.3	3%	0.025	13%	0.128	C	C	.	.	H	α-helix	trans	-82	-45.3	177	0	0	0	0	0	112.6	A287 T288 I289 N294 V322 M348	A287-A291 WeakPolarHBondContact O-CB 3.15Å; A287-A291 PolarHBondContact O-N 3.13Å; T288-A291 PolarHBondContact O-N 3.45Å; I289-A291 VanDerWaalsContact C-N 3.32Å; I289-A291 PolarHBondContact O-N 3.08Å; A291-N294 WeakPolarHBondContact O-CB 3.44Å; A291-V322 HydrophobicContact CB-CG1 4.26Å; A291-V322 HydrophobicContact CB-CG2 4.06Å; A291-M348 HydrophobicContact CB-CB 3.76Å; A291-M348 HydrophobicContact CB-CG 3.94Å
292	M	95.7	Very high	93.7	Very high	5 Å²	5	26.1 Å²	26.1	3%	0.025	14%	0.136	C	C	.	.	H	α-helix	trans	-83.5	-43.1	-172.3	-65	-52.3	-61.3	0	0	112.4	T288 N294 Q349 W352 K354 V369 F385	T288-M292 HydrophobicContact CG2-CG 4.2Å; T288-M292 WeakPolarHBondContact O-CB 3.48Å; T288-M292 WeakPolarHBondContact O-CG 3.07Å; T288-M292 PolarHBondContact O-N 3.31Å; M292-N294 PolarHBondContact O-N 2.76Å; M292-Q349 HydrophobicContact SD-CB 4.49Å; M292-Q349 HydrophobicContact SD-CG 3.97Å; M292-W352 HydrophobicContact CE-CB 3.71Å; M292-W352 VanDerWaalsContact CE-O 3.28Å; M292-W352 WeakPolarHBondContact CE-O 3.02Å; M292-W352 HydrophobicContact CG-CB 4.21Å; M292-W352 HydrophobicContact SD-CB 4.01Å; M292-K354 HydrophobicContact CE-CB 3.91Å; M292-K354 WeakPolarHBondContact O-CE 3.31Å; M292-K354 PolarHBondContact O-NZ 3.08Å; M292-K354 VanDerWaalsContact O-NZ 3.1Å; M292-V369 HydrophobicContact CB-CG2 4.25Å; M292-F385 HydrophobicContact CB-CD2 3.72Å; M292-F385 HydrophobicContact CB-CE2 4.13Å; M292-F385 HydrophobicContact CG-CD2 4.27Å; M292-F385 HydrophobicContact CG-CE2 4.16Å
293	C	96.3	Very high	93.4	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	17%	0.173	C	C	.	.	S	Bend	trans	-81	50.9	177.8	-165.4	0	0	0	0	110.7	I289 M367 V369 F385 K387	I289-C293 HydrophobicContact CG2-CB 4.25Å; I289-C293 WeakPolarHBondContact O-CA 3.38Å; I289-C293 WeakPolarHBondContact O-CB 3.23Å; I289-C293 PolarHBondContact O-N 3.09Å; C293-M367 PolarHBondContact SG-O 2.79Å; C293-V369 HydrophobicContact CB-CG1 4.43Å; C293-V369 HydrophobicContact CB-CG2 3.83Å; C293-F385 HydrophobicContact CB-CB 4.11Å; C293-F385 PolarHBondContact SG-O 2.93Å; C293-K387 WeakPolarHBondContact O-CD 3.37Å; C293-K387 WeakPolarHBondContact O-CE 3.45Å; C293-K387 PolarHBondContact O-NZ 3.03Å
294	N	94.3	Very high	92.7	Very high	10 Å²	10	36.7 Å²	36.7	5%	0.053	20%	0.2	C	C	.	.			trans	-147.5	138.3	-170.7	-161.2	-25.7	0	0	0	110.6	S290 A291 M292 S296 E315 S319 K354	S290-N294 VanDerWaalsContact O-CB 3.32Å; S290-N294 WeakPolarHBondContact O-CB 3.36Å; S290-N294 PolarHBondContact O-ND2 2.66Å; A291-N294 WeakPolarHBondContact O-CB 3.44Å; M292-N294 PolarHBondContact O-N 2.76Å; N294-S296 PolarHBondContact OD1-N 2.78Å; N294-S296 PolarHBondContact OD1-O 3.34Å; N294-E315 PolarHBondContact ND2-O 3.42Å; N294-E315 WeakPolarHBondContact OD1-CB 3.46Å; N294-E315 PolarHBondContact OD1-OE2 2.91Å; N294-S319 PolarHBondContact ND2-OG 2.81Å; N294-K354 PolarHBondContact O-NZ 3.18Å
295	D	90.3	Very high	92.4	Very high	91 Å²	91	44.3 Å²	44.3	49%	0.487	23%	0.225	S	C	.	.			trans	-116.5	4.6	177.8	-61.1	-31.1	0	0	0	111.7	E315 K354 M367	D295-E315 PolarHBondContact N-OE2 3.14Å; D295-K354 IonicContact OD1-NZ 2.83Å; D295-K354 PolarHBondContact OD1-NZ 2.47Å; D295-M367 WeakPolarHBondContact OD2-CE 3.2Å
296	S	91.4	Very high	92	Very high	7 Å²	7	46.5 Å²	46.5	5%	0.049	24%	0.237	C	C	.	.			trans	-112.9	152	-179.8	-53.7	0	0	0	0	112	N294 V310 E312 E315 S319	N294-S296 PolarHBondContact OD1-N 2.78Å; N294-S296 PolarHBondContact OD1-O 3.34Å; S296-V310 CarbonylContact C-O 3.6Å; S296-V310 VanDerWaalsContact CA-O 3.24Å; S296-V310 WeakPolarHBondContact CA-O 3Å; S296-V310 VanDerWaalsContact CB-O 3.26Å; S296-V310 WeakPolarHBondContact CB-O 3.39Å; S296-E312 PolarHBondContact OG-N 2.77Å; S296-E315 VanDerWaalsContact CB-CB 3.43Å; S296-E315 PolarHBondContact N-OE2 3.43Å; S296-E315 WeakPolarHBondContact OG-CB 3.48Å; S296-E315 PolarHBondContact OG-OE2 3.25Å; S296-S319 PolarHBondContact O-OG 2.85Å
297	T	91.9	Very high	91.8	Very high	66 Å²	66	47.3 Å²	47.3	41%	0.405	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	178.2	178.1	67.6	0	0	0	0	110.5	V310 T316	T297-V310 PolarHBondContact N-O 2.87Å; T297-V310 PolarHBondContact O-N 2.71Å; T297-T316 WeakPolarHBondContact O-CG2 3.48Å; T297-T316 PolarHBondContact O-OG1 2.87Å
298	V	91.9	Very high	91.4	Very high	4 Å²	4	50.3 Å²	50.3	2%	0.024	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	143.7	167.2	86.7	0	0	0	0	107.7	Y307 E308 T316 V320 G341 C342	V298-Y307 HydrophobicContact CG1-CD1 4.11Å; V298-Y307 HydrophobicContact CG2-CD1 4.25Å; V298-E308 WeakPolarHBondContact CG2-O 3.25Å; V298-T316 HydrophobicContact CB-CG2 4.18Å; V298-T316 HydrophobicContact CG2-CG2 4.07Å; V298-V320 HydrophobicContact CB-CG2 4.34Å; V298-V320 HydrophobicContact CG2-CG2 4.25Å; V298-G341 VanDerWaalsContact CG1-O 3.24Å; V298-G341 WeakPolarHBondContact CG1-O 3.31Å; V298-C342 PolarHBondContact O-SG 3.45Å; V298-C342 VanDerWaalsContact O-SG 3.37Å
299	D	92	Very high	91.1	Very high	65 Å²	65	53.2 Å²	53.2	35%	0.348	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	150	173.2	-170.4	33.9	0	0	0	109.6	Y307 E308 V310 K338	D299-Y307 CarbonylContact O-C 3.54Å; D299-Y307 WeakPolarHBondContact O-CA 3.5Å; D299-E308 PolarHBondContact N-O 3.21Å; D299-E308 PolarHBondContact O-N 3.23Å; D299-V310 HydrophobicContact CB-CG2 3.78Å; D299-K338 WeakPolarHBondContact OD1-CE 3.37Å
300	Y	92.4	Very high	90.7	Very high	44 Å²	44	56.6 Å²	56.6	17%	0.173	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	113.7	178.7	-177.8	-102.7	0	0	0	109.8	E302 R305 Y307 P337	Y300-E302 HydrophobicContact CD1-CG 4.04Å; Y300-E302 HydrophobicContact CE1-CG 4.16Å; Y300-E302 PolarHBondContact O-N 2.79Å; Y300-R305 WeakPolarHBondContact OH-CA 3.38Å; Y300-Y307 HydrophobicContact CD2-CD1 4.16Å; Y300-Y307 AromaticContact CD2-CD2 3.81Å; Y300-Y307 HydrophobicContact CD2-CD2 3.81Å; Y300-Y307 AromaticContact CD2-CE1 3.99Å; Y300-Y307 HydrophobicContact CD2-CE1 3.99Å; Y300-Y307 AromaticContact CD2-CE2 3.68Å; Y300-Y307 HydrophobicContact CD2-CE2 3.68Å; Y300-Y307 HydrophobicContact CD2-CG 4.1Å; Y300-Y307 AromaticContact CD2-CZ 3.77Å; Y300-Y307 HydrophobicContact CE2-CD2 4.28Å; Y300-Y307 HydrophobicContact CE2-CE2 4.04Å; Y300-Y307 HydrophobicContact CG-CE1 4.44Å; Y300-P337 HydrophobicContact CD1-CB 3.78Å; Y300-P337 HydrophobicContact CD2-CB 3.78Å; Y300-P337 HydrophobicContact CE1-CB 3.78Å; Y300-P337 HydrophobicContact CE1-CG 4.16Å; Y300-P337 HydrophobicContact CE2-CB 3.79Å; Y300-P337 HydrophobicContact CG-CB 3.77Å
301	N	88.9	Confident	90.2	Very high	38 Å²	38	59 Å²	59	20%	0.203	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	101.8	177	-171.9	-40.1	0	0	0	109.7	A303 K304 R305 I306 E308	N301-A303 VanDerWaalsContact C-N 3.26Å; N301-A303 PolarHBondContact O-N 3.47Å; N301-A303 WeakPolarHBondContact OD1-CB 3.32Å; N301-A303 PolarHBondContact OD1-N 3.2Å; N301-A303 VanDerWaalsContact OD1-N 3.13Å; N301-K304 HydrophobicContact CB-CB 4.4Å; N301-K304 PolarHBondContact O-N 2.72Å; N301-K304 PolarHBondContact OD1-N 2.72Å; N301-K304 VanDerWaalsContact OD1-N 3.16Å; N301-R305 WeakPolarHBondContact O-CA 3.41Å; N301-R305 PolarHBondContact O-N 2.73Å; N301-I306 PolarHBondContact N-O 3.4Å; N301-I306 PolarHBondContact O-N 2.76Å; N301-E308 HydrophobicContact CB-CG 4.06Å; N301-E308 PolarHBondContact ND2-OE1 3.1Å; N301-E308 PolarHBondContact ND2-OE2 2.98Å
302	E	87.9	Confident	89.7	Confident	151 Å²	151	60.9 Å²	60.9	71%	0.706	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.1	-33.3	-177.8	-69	-176.4	175.3	0	0	113.7	Y300	Y300-E302 HydrophobicContact CD1-CG 4.04Å; Y300-E302 HydrophobicContact CE1-CG 4.16Å; Y300-E302 PolarHBondContact O-N 2.79Å
303	A	85.8	Confident	89.2	Confident	97 Å²	97	61 Å²	61	80%	0.802	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.9	-40.7	-178.4	0	0	0	0	0	111.9	N301	N301-A303 VanDerWaalsContact C-N 3.26Å; N301-A303 PolarHBondContact O-N 3.47Å; N301-A303 WeakPolarHBondContact OD1-CB 3.32Å; N301-A303 PolarHBondContact OD1-N 3.2Å; N301-A303 VanDerWaalsContact OD1-N 3.13Å
304	K	81.5	Confident	88.8	Confident	129 Å²	129	61.3 Å²	61.3	56%	0.561	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.7	-14	178.7	-64.6	-176.5	-171.1	168.8	0	113.6	N301 I306 E308	N301-K304 HydrophobicContact CB-CB 4.4Å; N301-K304 PolarHBondContact O-N 2.72Å; N301-K304 PolarHBondContact OD1-N 2.72Å; N301-K304 VanDerWaalsContact OD1-N 3.16Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 HydrophobicContact CB-CD1 4.04Å; K304-I306 HydrophobicContact CB-CG1 3.71Å; K304-I306 HydrophobicContact CD-CD1 3.93Å; K304-I306 HydrophobicContact CD-CG1 4.35Å; K304-I306 PolarHBondContact O-N 2.75Å; K304-E308 WeakPolarHBondContact CD-OE1 3.48Å; K304-E308 IonicContact NZ-OE1 3.02Å; K304-E308 PolarHBondContact NZ-OE1 2.77Å
305	R	86.9	Confident	88.7	Confident	190 Å²	190	61.4 Å²	61.4	72%	0.717	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.4	39.4	-173.7	-57.3	-179.1	175.8	-179.5	-1.8	113.4	Y300 N301	Y300-R305 WeakPolarHBondContact OH-CA 3.38Å; N301-R305 WeakPolarHBondContact O-CA 3.41Å; N301-R305 PolarHBondContact O-N 2.73Å
306	I	87.1	Confident	88.9	Confident	67 Å²	67	57 Å²	57	34%	0.344	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.5	178.3	63.1	177.3	0	0	0	110.5	N301 K304 E308	N301-I306 PolarHBondContact N-O 3.4Å; N301-I306 PolarHBondContact O-N 2.76Å; K304-I306 VanDerWaalsContact C-N 3.28Å; K304-I306 HydrophobicContact CB-CD1 4.04Å; K304-I306 HydrophobicContact CB-CG1 3.71Å; K304-I306 HydrophobicContact CD-CD1 3.93Å; K304-I306 HydrophobicContact CD-CG1 4.35Å; K304-I306 PolarHBondContact O-N 2.75Å; I306-E308 HydrophobicContact CD1-CG 4.23Å; I306-E308 HydrophobicContact CG1-CG 4.08Å
307	Y	91.1	Very high	89.1	Confident	17 Å²	17	56.8 Å²	56.8	7%	0.067	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	122.9	170.1	-71	-94.9	0	0	0	110.1	E263 P264 V298 D299 Y300 P337	E263-Y307 HydrophobicContact CB-CD2 4.27Å; E263-Y307 HydrophobicContact CG-CD2 3.78Å; E263-Y307 HydrophobicContact CG-CE2 4.3Å; P264-Y307 HydrophobicContact CG-CE1 4.29Å; V298-Y307 HydrophobicContact CG1-CD1 4.11Å; V298-Y307 HydrophobicContact CG2-CD1 4.25Å; D299-Y307 CarbonylContact O-C 3.54Å; D299-Y307 WeakPolarHBondContact O-CA 3.5Å; Y300-Y307 HydrophobicContact CD2-CD1 4.16Å; Y300-Y307 AromaticContact CD2-CD2 3.81Å; Y300-Y307 HydrophobicContact CD2-CD2 3.81Å; Y300-Y307 AromaticContact CD2-CE1 3.99Å; Y300-Y307 HydrophobicContact CD2-CE1 3.99Å; Y300-Y307 AromaticContact CD2-CE2 3.68Å; Y300-Y307 HydrophobicContact CD2-CE2 3.68Å; Y300-Y307 HydrophobicContact CD2-CG 4.1Å; Y300-Y307 AromaticContact CD2-CZ 3.77Å; Y300-Y307 HydrophobicContact CE2-CD2 4.28Å; Y300-Y307 HydrophobicContact CE2-CE2 4.04Å; Y300-Y307 HydrophobicContact CG-CE1 4.44Å; Y307-P337 VanDerWaalsContact CE1-O 3.22Å; Y307-P337 WeakPolarHBondContact CE1-O 3.44Å; Y307-P337 VanDerWaalsContact CZ-O 3.28Å; Y307-P337 VanDerWaalsContact OH-C 3.28Å; Y307-P337 VanDerWaalsContact OH-CA 3.32Å; Y307-P337 WeakPolarHBondContact OH-CA 3.32Å; Y307-P337 PolarHBondContact OH-O 2.91Å
308	E	88.6	Confident	89.3	Confident	63 Å²	63	53.7 Å²	53.7	29%	0.294	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	147.3	178.7	-65.5	-173.9	147.2	0	0	110.1	V298 D299 N301 K304 I306	V298-E308 WeakPolarHBondContact CG2-O 3.25Å; D299-E308 PolarHBondContact N-O 3.21Å; D299-E308 PolarHBondContact O-N 3.23Å; N301-E308 HydrophobicContact CB-CG 4.06Å; N301-E308 PolarHBondContact ND2-OE1 3.1Å; N301-E308 PolarHBondContact ND2-OE2 2.98Å; K304-E308 WeakPolarHBondContact CD-OE1 3.48Å; K304-E308 IonicContact NZ-OE1 3.02Å; K304-E308 PolarHBondContact NZ-OE1 2.77Å; I306-E308 HydrophobicContact CD1-CG 4.23Å; I306-E308 HydrophobicContact CG1-CG 4.08Å
309	K	89.8	Confident	89.5	Confident	70 Å²	70	53.8 Å²	53.8	30%	0.304	28%	0.28	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	143.5	174.6	62	169.4	-175.7	167.7	0	110.9	S53 Y262 A313 T316	S53-K309 PolarHBondContact O-NZ 2.89Å; Y262-K309 HydrophobicContact CD2-CB 4.39Å; Y262-K309 HydrophobicContact CE2-CB 3.9Å; Y262-K309 HydrophobicContact CE2-CD 4.48Å; Y262-K309 HydrophobicContact CE2-CG 4.26Å; K309-A313 HydrophobicContact CD-CB 4.11Å; K309-T316 HydrophobicContact CB-CG2 3.79Å; K309-T316 WeakPolarHBondContact CB-OG1 3.48Å
310	V	89	Confident	89.7	Confident	72 Å²	72	50.9 Å²	50.9	44%	0.436	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	106.8	164.9	-178.7	0	0	0	0	107.4	S296 T297 D299	S296-V310 CarbonylContact C-O 3.6Å; S296-V310 VanDerWaalsContact CA-O 3.24Å; S296-V310 WeakPolarHBondContact CA-O 3Å; S296-V310 VanDerWaalsContact CB-O 3.26Å; S296-V310 WeakPolarHBondContact CB-O 3.39Å; T297-V310 PolarHBondContact N-O 2.87Å; T297-V310 PolarHBondContact O-N 2.71Å; D299-V310 HydrophobicContact CB-CG2 3.78Å
311	G	86.2	Confident	89.9	Confident	51 Å²	51	48.9 Å²	48.9	53%	0.526	26%	0.257	S	S	.	.	S	Bend	trans	106	-141.8	-174	0	0	0	0	0	113
312	E	83.9	Confident	90.2	Very high	42 Å²	42	47.1 Å²	47.1	20%	0.196	25%	0.248	C	C	.	.			trans	-89	137	-174.4	-56.9	-150.6	139.5	0	0	112.4	R43 S55 S296 T314 E315 T316	R43-E312 IonicContact CZ-OE1 3.3Å; R43-E312 IonicContact CZ-OE2 3.29Å; R43-E312 IonicContact NE-OE1 3.4Å; R43-E312 IonicContact NH1-OE1 3.88Å; R43-E312 PolarHBondContact NH1-OE1 2.89Å; R43-E312 IonicContact NH1-OE2 3.95Å; R43-E312 PolarHBondContact NH1-OE2 3.24Å; S55-E312 PolarHBondContact OG-OE1 3.47Å; S296-E312 PolarHBondContact OG-N 2.77Å; E312-T314 VanDerWaalsContact C-N 3.28Å; E312-T314 PolarHBondContact O-N 2.77Å; E312-E315 HydrophobicContact CB-CB 4.24Å; E312-E315 HydrophobicContact CB-CG 4.17Å; E312-E315 PolarHBondContact O-N 2.8Å; E312-T316 PolarHBondContact O-N 3.33Å; E312-T316 PolarHBondContact O-OG1 2.77Å
313	A	85.9	Confident	90.6	Very high	6 Å²	6	40 Å²	40	5%	0.05	21%	0.214	C	C	.	.	H	α-helix	trans	-55.7	-42.5	-179.6	0	0	0	0	0	112.7	V54 M230 Y262 K309 E315 T316 A317	V54-A313 HydrophobicContact CG2-CB 4.46Å; M230-A313 HydrophobicContact CB-CB 3.94Å; Y262-A313 WeakPolarHBondContact OH-CB 3.25Å; K309-A313 HydrophobicContact CD-CB 4.11Å; A313-E315 PolarHBondContact O-N 3.46Å; A313-T316 PolarHBondContact O-N 3.24Å; A313-A317 WeakPolarHBondContact O-CB 3.46Å; A313-A317 PolarHBondContact O-N 3.21Å
314	T	88.6	Confident	91	Very high	7 Å²	7	36.2 Å²	36.2	4%	0.043	18%	0.18	C	C	.	.	H	α-helix	trans	-59.4	-36.4	176.7	-54.3	0	0	0	0	112.4	E312 L434 M471	E312-T314 VanDerWaalsContact C-N 3.28Å; E312-T314 PolarHBondContact O-N 2.77Å; T314-L434 HydrophobicContact CG2-CD1 3.72Å; T314-M471 HydrophobicContact CG2-CE 4.1Å; T314-M471 HydrophobicContact CG2-SD 3.46Å; T314-M471 WeakPolarHBondContact CG2-SD 3.5Å
315	E	92.7	Very high	91.7	Very high	12 Å²	12	30.4 Å²	30.4	6%	0.056	16%	0.155	C	C	.	.	H	α-helix	trans	-84.2	-40	-177.9	-70.5	-158.7	157.1	0	0	112	N294 D295 S296 E312 A313 A317 L318 S319 K387	N294-E315 PolarHBondContact ND2-O 3.42Å; N294-E315 WeakPolarHBondContact OD1-CB 3.46Å; N294-E315 PolarHBondContact OD1-OE2 2.91Å; D295-E315 PolarHBondContact N-OE2 3.14Å; S296-E315 VanDerWaalsContact CB-CB 3.43Å; S296-E315 PolarHBondContact N-OE2 3.43Å; S296-E315 WeakPolarHBondContact OG-CB 3.48Å; S296-E315 PolarHBondContact OG-OE2 3.25Å; E312-E315 HydrophobicContact CB-CB 4.24Å; E312-E315 HydrophobicContact CB-CG 4.17Å; E312-E315 PolarHBondContact O-N 2.8Å; A313-E315 PolarHBondContact O-N 3.46Å; E315-A317 PolarHBondContact O-N 3.46Å; E315-L318 WeakPolarHBondContact O-CA 3.49Å; E315-L318 WeakPolarHBondContact O-CB 3.18Å; E315-L318 PolarHBondContact O-N 2.67Å; E315-S319 PolarHBondContact O-N 3.02Å; E315-S319 PolarHBondContact O-OG 3.37Å; E315-K387 WeakPolarHBondContact OE1-CE 3.23Å; E315-K387 IonicContact OE1-NZ 3.48Å; E315-K387 PolarHBondContact OE1-NZ 2.93Å
316	T	94.4	Very high	92	Very high	0 Å²	0	23 Å²	23	0%	0	13%	0.13	C	C	.	.	H	α-helix	trans	-58.5	-37.5	171.2	-57	0	0	0	0	111.3	Y262 T297 V298 K309 E312 A313 L318 S319 V320	Y262-T316 HydrophobicContact CD1-CG2 3.67Å; Y262-T316 HydrophobicContact CE1-CG2 3.76Å; Y262-T316 HydrophobicContact CG-CG2 4.13Å; T297-T316 WeakPolarHBondContact O-CG2 3.48Å; T297-T316 PolarHBondContact O-OG1 2.87Å; V298-T316 HydrophobicContact CB-CG2 4.18Å; V298-T316 HydrophobicContact CG2-CG2 4.07Å; K309-T316 HydrophobicContact CB-CG2 3.79Å; K309-T316 WeakPolarHBondContact CB-OG1 3.48Å; E312-T316 PolarHBondContact O-N 3.33Å; E312-T316 PolarHBondContact O-OG1 2.77Å; A313-T316 PolarHBondContact O-N 3.24Å; T316-L318 PolarHBondContact O-N 3.02Å; T316-S319 PolarHBondContact O-N 3.45Å; T316-S319 VanDerWaalsContact O-N 3.12Å; T316-V320 HydrophobicContact CG2-CG2 4.34Å; T316-V320 WeakPolarHBondContact O-CG2 3.2Å; T316-V320 PolarHBondContact O-N 3.48Å
317	A	94.4	Very high	92.4	Very high	2 Å²	2	20.1 Å²	20.1	2%	0.017	12%	0.115	C	C	.	.	H	α-helix	trans	-56.9	-37.8	173.7	0	0	0	0	0	112.6	M230 V232 A313 E315 L321 M471	M230-A317 HydrophobicContact CB-CB 4.2Å; M230-A317 HydrophobicContact CG-CB 3.97Å; M230-A317 WeakPolarHBondContact O-CB 3.48Å; V232-A317 HydrophobicContact CG2-CB 4.32Å; A313-A317 WeakPolarHBondContact O-CB 3.46Å; A313-A317 PolarHBondContact O-N 3.21Å; E315-A317 PolarHBondContact O-N 3.46Å; A317-L321 WeakPolarHBondContact O-CB 3.35Å; A317-L321 PolarHBondContact O-N 2.96Å; A317-M471 HydrophobicContact CB-SD 4.19Å
318	L	96.3	Very high	92.5	Very high	0 Å²	0	24.4 Å²	24.4	0%	0	13%	0.132	C	C	.	.	H	α-helix	trans	-71.2	-41.3	175.4	-61.1	178.2	0	0	0	111.4	V232 E315 T316 V320 L321 V322 K387 L434 V469 M471	V232-L318 HydrophobicContact CG2-CD2 4.33Å; E315-L318 WeakPolarHBondContact O-CA 3.49Å; E315-L318 WeakPolarHBondContact O-CB 3.18Å; E315-L318 PolarHBondContact O-N 2.67Å; T316-L318 PolarHBondContact O-N 3.02Å; L318-V320 VanDerWaalsContact C-N 3.3Å; L318-V320 PolarHBondContact O-N 3.47Å; L318-L321 WeakPolarHBondContact O-CB 3.31Å; L318-L321 PolarHBondContact O-N 3.4Å; L318-V322 WeakPolarHBondContact O-CG2 3.33Å; L318-V322 PolarHBondContact O-N 3.48Å; L318-K387 HydrophobicContact CD1-CD 3.98Å; L318-L434 HydrophobicContact CD1-CD1 4.3Å; L318-V469 HydrophobicContact CD2-CG2 3.75Å; L318-M471 HydrophobicContact CD2-CE 3.82Å; L318-M471 HydrophobicContact CG-CE 4.28Å
319	S	95.7	Very high	92.6	Very high	6 Å²	6	26 Å²	26	4%	0.042	14%	0.142	C	C	.	.	H	α-helix	trans	-60.7	-42.9	176.7	-49.3	0	0	0	0	110.8	N294 S296 E315 T316 V322 E323 N345	N294-S319 PolarHBondContact ND2-OG 2.81Å; S296-S319 PolarHBondContact O-OG 2.85Å; E315-S319 PolarHBondContact O-N 3.02Å; E315-S319 PolarHBondContact O-OG 3.37Å; T316-S319 PolarHBondContact O-N 3.45Å; T316-S319 VanDerWaalsContact O-N 3.12Å; S319-V322 WeakPolarHBondContact O-CB 3.42Å; S319-V322 PolarHBondContact O-N 3.24Å; S319-E323 PolarHBondContact O-N 2.97Å; S319-N345 PolarHBondContact O-ND2 3.19Å
320	V	95.8	Very high	92.6	Very high	4 Å²	4	24.2 Å²	24.2	2%	0.024	14%	0.138	C	C	.	.	H	α-helix	trans	-68.7	-36.8	176	174	0	0	0	0	111.7	Y262 V298 T316 L318 V322 E323 K324	Y262-V320 HydrophobicContact CD1-CG2 4.16Å; Y262-V320 WeakPolarHBondContact O-CG2 3.44Å; V298-V320 HydrophobicContact CB-CG2 4.34Å; V298-V320 HydrophobicContact CG2-CG2 4.25Å; T316-V320 HydrophobicContact CG2-CG2 4.34Å; T316-V320 WeakPolarHBondContact O-CG2 3.2Å; T316-V320 PolarHBondContact O-N 3.48Å; L318-V320 VanDerWaalsContact C-N 3.3Å; L318-V320 PolarHBondContact O-N 3.47Å; V320-V322 VanDerWaalsContact C-N 3.3Å; V320-V322 PolarHBondContact O-N 2.98Å; V320-E323 WeakPolarHBondContact O-CB 3.31Å; V320-E323 PolarHBondContact O-N 3.03Å; V320-E323 VanDerWaalsContact O-N 3.16Å; V320-K324 HydrophobicContact CG1-CD 4.26Å; V320-K324 HydrophobicContact CG1-CG 4.48Å; V320-K324 WeakPolarHBondContact O-CG 3.43Å; V320-K324 PolarHBondContact O-N 3.45Å
321	L	96.5	Very high	92.7	Very high	2 Å²	2	28 Å²	28	1%	0.01	15%	0.151	C	C	.	.	H	α-helix	trans	-57.2	-44.3	172.7	174.8	68.7	0	0	0	111.3	V232 M235 V257 L286 A317 L318 E323 K324 M325 V469	V232-L321 HydrophobicContact CB-CB 4.32Å; V232-L321 HydrophobicContact CB-CD1 4.16Å; V232-L321 HydrophobicContact CB-CD2 4.36Å; V232-L321 HydrophobicContact CB-CG 4.5Å; V232-L321 HydrophobicContact CG1-CD1 4.01Å; V232-L321 HydrophobicContact CG1-CD2 4.08Å; V232-L321 HydrophobicContact CG2-CB 4.1Å; V232-L321 HydrophobicContact CG2-CD2 4.12Å; M235-L321 HydrophobicContact SD-CD1 4.43Å; M235-L321 HydrophobicContact SD-CD2 4.49Å; V257-L321 HydrophobicContact CG1-CD1 4.06Å; V257-L321 HydrophobicContact CG2-CD1 3.88Å; L286-L321 HydrophobicContact CD2-CD2 4.15Å; A317-L321 WeakPolarHBondContact O-CB 3.35Å; A317-L321 PolarHBondContact O-N 2.96Å; L318-L321 WeakPolarHBondContact O-CB 3.31Å; L318-L321 PolarHBondContact O-N 3.4Å; L321-E323 VanDerWaalsContact C-N 3.26Å; L321-E323 PolarHBondContact O-N 3.19Å; L321-K324 PolarHBondContact O-N 3.11Å; L321-K324 VanDerWaalsContact O-N 3.12Å; L321-M325 HydrophobicContact CD1-CG 4Å; L321-M325 HydrophobicContact CD1-SD 4.03Å; L321-M325 HydrophobicContact CD2-SD 4.11Å; L321-M325 HydrophobicContact CG-CG 4.18Å; L321-M325 HydrophobicContact CG-SD 3.75Å; L321-M325 VanDerWaalsContact O-CG 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.32Å; L321-M325 PolarHBondContact O-N 2.98Å; L321-V469 HydrophobicContact CD2-CG1 3.92Å
322	V	96.5	Very high	92.8	Very high	1 Å²	1	27.6 Å²	27.6	1%	0.006	13%	0.134	C	C	.	.	H	α-helix	trans	-59.3	-41	177.7	173.5	0	0	0	0	110.8	A287 A291 L318 S319 V320 M325 N326	A287-V322 HydrophobicContact CB-CG2 4.43Å; A287-V322 WeakPolarHBondContact O-CG2 3.27Å; A291-V322 HydrophobicContact CB-CG1 4.26Å; A291-V322 HydrophobicContact CB-CG2 4.06Å; L318-V322 WeakPolarHBondContact O-CG2 3.33Å; L318-V322 PolarHBondContact O-N 3.48Å; S319-V322 WeakPolarHBondContact O-CB 3.42Å; S319-V322 PolarHBondContact O-N 3.24Å; V320-V322 VanDerWaalsContact C-N 3.3Å; V320-V322 PolarHBondContact O-N 2.98Å; V322-M325 PolarHBondContact O-N 3.05Å; V322-N326 PolarHBondContact O-N 3.02Å; V322-N326 VanDerWaalsContact O-N 3.11Å
323	E	95.6	Very high	92.9	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.009	16%	0.162	C	C	.	.	H	α-helix	trans	-63.9	-42.2	174.8	-65.5	-52.5	141.3	0	0	112.7	P264 S319 V320 L321 K332 G341 C342 V343 S344 N345	P264-E323 HydrophobicContact CB-CB 3.63Å; P264-E323 HydrophobicContact CB-CG 4.12Å; S319-E323 PolarHBondContact O-N 2.97Å; V320-E323 WeakPolarHBondContact O-CB 3.31Å; V320-E323 PolarHBondContact O-N 3.03Å; V320-E323 VanDerWaalsContact O-N 3.16Å; L321-E323 VanDerWaalsContact C-N 3.26Å; L321-E323 PolarHBondContact O-N 3.19Å; E323-K332 PolarHBondContact O-NZ 2.73Å; E323-K332 IonicContact OE2-NZ 3.2Å; E323-K332 PolarHBondContact OE2-NZ 2.69Å; E323-G341 VanDerWaalsContact CG-O 3.26Å; E323-G341 WeakPolarHBondContact CG-O 3.49Å; E323-C342 WeakPolarHBondContact OE1-CA 3.44Å; E323-V343 PolarHBondContact OE1-N 2.86Å; E323-S344 VanDerWaalsContact CD-N 3.34Å; E323-S344 WeakPolarHBondContact OE1-CA 3.41Å; E323-S344 WeakPolarHBondContact OE1-CB 3.41Å; E323-S344 PolarHBondContact OE1-N 3.05Å; E323-S344 WeakPolarHBondContact OE2-CB 3.3Å; E323-S344 PolarHBondContact OE2-N 3.4Å; E323-S344 PolarHBondContact OE2-OG 3.22Å; E323-N345 PolarHBondContact OE1-N 3.12Å; E323-N345 PolarHBondContact OE1-ND2 3.4Å
324	K	94.7	Very high	92.9	Very high	17 Å²	17	37.5 Å²	37.5	7%	0.074	20%	0.203	C	C	.	.	H	α-helix	trans	-67.3	-36.1	178	-68.3	175.2	179.1	-179.4	0	112.5	V257 T258 G259 V265 V320 L321	V257-K324 HydrophobicContact CG1-CD 3.87Å; T258-K324 PolarHBondContact O-NZ 3.46Å; G259-K324 PolarHBondContact O-NZ 3.46Å; V265-K324 WeakPolarHBondContact O-CE 3.23Å; V320-K324 HydrophobicContact CG1-CD 4.26Å; V320-K324 HydrophobicContact CG1-CG 4.48Å; V320-K324 WeakPolarHBondContact O-CG 3.43Å; V320-K324 PolarHBondContact O-N 3.45Å; L321-K324 PolarHBondContact O-N 3.11Å; L321-K324 VanDerWaalsContact O-N 3.12Å
325	M	95.3	Very high	92.9	Very high	8 Å²	8	39.9 Å²	39.9	4%	0.039	22%	0.215	C	C	.	.	H	α-helix	trans	-71.6	-37.8	-179.8	-70.8	176.3	71.5	0	0	112.6	M235 V268 C277 L283 L286 A287 L321 V322 V327	M235-M325 HydrophobicContact CE-CE 4.22Å; M235-M325 HydrophobicContact CE-SD 4.33Å; M235-M325 HydrophobicContact SD-SD 4.39Å; V268-M325 HydrophobicContact CG2-CG 4.05Å; C277-M325 HydrophobicContact CB-CB 4.21Å; C277-M325 HydrophobicContact CB-CE 4.34Å; C277-M325 WeakPolarHBondContact CB-O 3.23Å; L283-M325 HydrophobicContact CB-CE 3.67Å; L283-M325 HydrophobicContact CD2-CE 4.05Å; L283-M325 HydrophobicContact CG-CE 4.31Å; L283-M325 VanDerWaalsContact O-CE 3.23Å; L283-M325 WeakPolarHBondContact O-CE 3.18Å; L286-M325 HydrophobicContact CD2-CE 4.28Å; L286-M325 HydrophobicContact CD2-SD 4.14Å; A287-M325 HydrophobicContact CB-CE 4.06Å; A287-M325 HydrophobicContact CB-SD 4.16Å; L321-M325 HydrophobicContact CD1-CG 4Å; L321-M325 HydrophobicContact CD1-SD 4.03Å; L321-M325 HydrophobicContact CD2-SD 4.11Å; L321-M325 HydrophobicContact CG-CG 4.18Å; L321-M325 HydrophobicContact CG-SD 3.75Å; L321-M325 VanDerWaalsContact O-CG 3.29Å; L321-M325 WeakPolarHBondContact O-CG 3.32Å; L321-M325 PolarHBondContact O-N 2.98Å; V322-M325 PolarHBondContact O-N 3.05Å; M325-V327 VanDerWaalsContact C-N 3.31Å; M325-V327 HydrophobicContact CB-CG1 3.84Å; M325-V327 HydrophobicContact CE-CG1 3.89Å; M325-V327 PolarHBondContact O-N 3.45Å
326	N	94.6	Very high	92.9	Very high	34 Å²	34	42.7 Å²	42.7	18%	0.182	23%	0.23	C	C	.	.			trans	41.4	54.3	-179.3	-168.6	12.9	0	0	0	113.3	V322 Y328 N329 T330	V322-N326 PolarHBondContact O-N 3.02Å; V322-N326 VanDerWaalsContact O-N 3.11Å; N326-Y328 PolarHBondContact O-N 3.5Å; N326-Y328 VanDerWaalsContact O-N 3.07Å; N326-N329 PolarHBondContact O-N 2.99Å; N326-T330 PolarHBondContact ND2-N 3.42Å; N326-T330 PolarHBondContact ND2-O 3.3Å; N326-T330 WeakPolarHBondContact OD1-CB 3.33Å; N326-T330 PolarHBondContact OD1-N 3.43Å
327	V	94.4	Very high	92.7	Very high	6 Å²	6	45.4 Å²	45.4	4%	0.036	25%	0.248	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.7	-12.4	-167.9	-58.8	0	0	0	0	115	C277 S278 V284 A287 M325 M348	C277-V327 HydrophobicContact CB-CG1 3.84Å; S278-V327 WeakPolarHBondContact CB-O 3.44Å; V284-V327 HydrophobicContact CG1-CG2 4.16Å; V284-V327 HydrophobicContact CG2-CB 4.16Å; A287-V327 HydrophobicContact CB-CG1 3.71Å; A287-V327 HydrophobicContact CB-CG2 3.94Å; M325-V327 VanDerWaalsContact C-N 3.31Å; M325-V327 HydrophobicContact CB-CG1 3.84Å; M325-V327 HydrophobicContact CE-CG1 3.89Å; M325-V327 PolarHBondContact O-N 3.45Å; V327-M348 HydrophobicContact CG2-CE 3.09Å
328	Y	92.9	Very high	92.4	Very high	107 Å²	107	50.9 Å²	50.9	42%	0.42	27%	0.271	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.4	9	172	-74	-61.2	0	0	0	113.4	N326 T330 V347 M348 L351	N326-Y328 PolarHBondContact O-N 3.5Å; N326-Y328 VanDerWaalsContact O-N 3.07Å; Y328-T330 PolarHBondContact O-N 3.49Å; Y328-V347 HydrophobicContact CD2-CG1 3.66Å; Y328-V347 HydrophobicContact CE2-CG1 4.34Å; Y328-V347 HydrophobicContact CG-CG1 4.29Å; Y328-M348 HydrophobicContact CD2-CE 3.28Å; Y328-M348 HydrophobicContact CD2-SD 4.23Å; Y328-M348 HydrophobicContact CE2-CE 3.11Å; Y328-M348 HydrophobicContact CE2-SD 3.59Å; Y328-M348 VanDerWaalsContact CE2-SD 3.59Å; Y328-M348 HydrophobicContact CG-CE 4.47Å; Y328-L351 HydrophobicContact CD2-CD1 4.3Å; Y328-L351 HydrophobicContact CE2-CD1 3.34Å; Y328-L351 WeakPolarHBondContact OH-CD1 3.2Å
329	N	91.2	Very high	92.1	Very high	97 Å²	97	55.2 Å²	55.2	52%	0.519	29%	0.292	S	S	.	.			trans	50.4	40.8	-176.9	-53.2	-47.9	0	0	0	111.9	S278 N326 E331	S278-N329 WeakPolarHBondContact CB-ND2 3.41Å; S278-N329 PolarHBondContact OG-ND2 2.86Å; S278-N329 PolarHBondContact OG-OD1 3.25Å; N326-N329 PolarHBondContact O-N 2.99Å; N329-E331 PolarHBondContact O-N 2.99Å
330	T	90.3	Very high	91.9	Very high	33 Å²	33	56.9 Å²	56.9	20%	0.202	30%	0.3	C	S	.	.			trans	-61.7	134.5	179.8	-52.5	0	0	0	0	109.5	N326 Y328 K332 V343 V347	N326-T330 PolarHBondContact ND2-N 3.42Å; N326-T330 PolarHBondContact ND2-O 3.3Å; N326-T330 WeakPolarHBondContact OD1-CB 3.33Å; N326-T330 PolarHBondContact OD1-N 3.43Å; Y328-T330 PolarHBondContact O-N 3.49Å; T330-K332 PolarHBondContact O-N 2.94Å; T330-V343 HydrophobicContact CG2-CG2 3.94Å; T330-V347 HydrophobicContact CG2-CG2 4.11Å
331	E	90.6	Very high	91.5	Very high	152 Å²	152	56.8 Å²	56.8	71%	0.71	30%	0.3	S	S	*	.			trans	-68	117.7	179	-171.5	166.3	-155.1	0	0	109.6	N329	N329-E331 PolarHBondContact O-N 2.99Å
332	K	89	Confident	91.3	Very high	42 Å²	42	57.9 Å²	57.9	18%	0.183	31%	0.307	C	S	.	.			trans	-102.4	-6.5	-179.5	-61	-161	-178.5	-160.8	0	113.5	E323 T330 L340 V343 S344	E323-K332 PolarHBondContact O-NZ 2.73Å; E323-K332 IonicContact OE2-NZ 3.2Å; E323-K332 PolarHBondContact OE2-NZ 2.69Å; T330-K332 PolarHBondContact O-N 2.94Å; K332-L340 HydrophobicContact CB-CD1 3.96Å; K332-L340 HydrophobicContact CD-CD1 4.44Å; K332-V343 HydrophobicContact CD-CG1 4.25Å; K332-V343 HydrophobicContact CG-CG1 4.22Å; K332-S344 WeakPolarHBondContact CE-OG 3.43Å; K332-S344 PolarHBondContact NZ-OG 3.33Å
333	Q	85.6	Confident	91.2	Very high	168 Å²	168	59 Å²	59	79%	0.785	31%	0.314	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.8	136.1	-179	-69.5	-173.2	4.9	0	0	110.6	L335	Q333-L335 VanDerWaalsContact C-N 3.28Å; Q333-L335 PolarHBondContact O-N 2.97Å
334	G	85.8	Confident	91.1	Very high	87 Å²	87	59.1 Å²	59.1	90%	0.897	32%	0.315	S	S	*	.	T	Hydrogen-bonded Turn	trans	82	-6.3	178.1	0	0	0	0	0	115.7
335	L	89.7	Confident	91.1	Very high	57 Å²	57	58.9 Å²	58.9	30%	0.298	32%	0.315	S	S	.	.			trans	-71.9	144.5	174.3	-62.4	179.6	0	0	0	111	Q333 E339 L340 V343	Q333-L335 VanDerWaalsContact C-N 3.28Å; Q333-L335 PolarHBondContact O-N 2.97Å; L335-E339 HydrophobicContact CB-CB 4.11Å; L335-E339 HydrophobicContact CD2-CB 4.38Å; L335-E339 WeakPolarHBondContact CD2-OE2 3.43Å; L335-L340 HydrophobicContact CB-CD1 4.3Å; L335-V343 HydrophobicContact CD1-CB 4.03Å; L335-V343 HydrophobicContact CD1-CG1 4.04Å; L335-V343 HydrophobicContact CD1-CG2 3.9Å
336	N	91.3	Very high	91	Very high	71 Å²	71	63.8 Å²	63.8	38%	0.38	34%	0.337	S	S	.	.			trans	-72	162	172.1	65.9	46.3	0	0	0	110.6	K338 E339 L340	N336-K338 PolarHBondContact O-N 2.95Å; N336-K338 VanDerWaalsContact O-N 3.16Å; N336-K338 PolarHBondContact OD1-N 3.18Å; N336-E339 VanDerWaalsContact CG-CD 3.5Å; N336-E339 PolarHBondContact N-OE2 2.9Å; N336-E339 PolarHBondContact ND2-OE1 2.71Å; N336-E339 PolarHBondContact ND2-OE2 3.28Å; N336-E339 PolarHBondContact O-N 2.67Å; N336-E339 WeakPolarHBondContact OD1-CB 3.43Å; N336-E339 WeakPolarHBondContact OD1-CG 3.24Å; N336-E339 PolarHBondContact OD1-N 2.97Å; N336-L340 WeakPolarHBondContact O-CB 3.32Å; N336-L340 PolarHBondContact O-N 2.94Å
337	P	90	Very high	91	Very high	58 Å²	58	64 Å²	64	38%	0.377	34%	0.34	S	S	.	.	H	α-helix	trans	-55.5	-36.2	-177.5	-28.7	36.1	0	0	0	113.9	Y300 Y307 L340 G341	Y300-P337 HydrophobicContact CD1-CB 3.78Å; Y300-P337 HydrophobicContact CD2-CB 3.78Å; Y300-P337 HydrophobicContact CE1-CB 3.78Å; Y300-P337 HydrophobicContact CE1-CG 4.16Å; Y300-P337 HydrophobicContact CE2-CB 3.79Å; Y300-P337 HydrophobicContact CG-CB 3.77Å; Y307-P337 VanDerWaalsContact CE1-O 3.22Å; Y307-P337 WeakPolarHBondContact CE1-O 3.44Å; Y307-P337 VanDerWaalsContact CZ-O 3.28Å; Y307-P337 VanDerWaalsContact OH-C 3.28Å; Y307-P337 VanDerWaalsContact OH-CA 3.32Å; Y307-P337 WeakPolarHBondContact OH-CA 3.32Å; Y307-P337 PolarHBondContact OH-O 2.91Å; P337-L340 PolarHBondContact O-N 3.19Å; P337-G341 PolarHBondContact O-N 3.39Å
338	K	89.2	Confident	90.8	Very high	116 Å²	116	63.9 Å²	63.9	50%	0.504	34%	0.339	S	S	.	.	H	α-helix	trans	-66.1	-45.1	179.8	-170.2	173.1	-174	166.5	0	112.2	D299 N336 G341	D299-K338 WeakPolarHBondContact OD1-CE 3.37Å; N336-K338 PolarHBondContact O-N 2.95Å; N336-K338 VanDerWaalsContact O-N 3.16Å; N336-K338 PolarHBondContact OD1-N 3.18Å; K338-G341 PolarHBondContact O-N 3.18Å
339	E	90.3	Very high	90.7	Very high	92 Å²	92	62.9 Å²	62.9	43%	0.43	34%	0.338	S	S	.	.	H	α-helix	trans	-65.5	-41.5	175.2	-73.9	161.3	-170.4	0	0	111.5	L335 N336 G341 C342 V343	L335-E339 HydrophobicContact CB-CB 4.11Å; L335-E339 HydrophobicContact CD2-CB 4.38Å; L335-E339 WeakPolarHBondContact CD2-OE2 3.43Å; N336-E339 VanDerWaalsContact CG-CD 3.5Å; N336-E339 PolarHBondContact N-OE2 2.9Å; N336-E339 PolarHBondContact ND2-OE1 2.71Å; N336-E339 PolarHBondContact ND2-OE2 3.28Å; N336-E339 PolarHBondContact O-N 2.67Å; N336-E339 WeakPolarHBondContact OD1-CB 3.43Å; N336-E339 WeakPolarHBondContact OD1-CG 3.24Å; N336-E339 PolarHBondContact OD1-N 2.97Å; E339-G341 PolarHBondContact O-N 3.46Å; E339-C342 PolarHBondContact O-N 2.8Å; E339-C342 VanDerWaalsContact O-N 3.09Å; E339-V343 WeakPolarHBondContact O-CB 3.44Å; E339-V343 PolarHBondContact O-N 2.9Å
340	L	91	Very high	90.7	Very high	40 Å²	40	61.8 Å²	61.8	21%	0.209	34%	0.338	C	S	.	.	H	α-helix	trans	-57.4	-32.7	-179.9	-158.8	92.9	0	0	0	112.6	P264 K332 L335 N336 P337 C342	P264-L340 HydrophobicContact CG-CB 4.45Å; P264-L340 HydrophobicContact CG-CD2 3.63Å; P264-L340 HydrophobicContact CG-CG 4.06Å; K332-L340 HydrophobicContact CB-CD1 3.96Å; K332-L340 HydrophobicContact CD-CD1 4.44Å; L335-L340 HydrophobicContact CB-CD1 4.3Å; N336-L340 WeakPolarHBondContact O-CB 3.32Å; N336-L340 PolarHBondContact O-N 2.94Å; P337-L340 PolarHBondContact O-N 3.19Å; L340-C342 VanDerWaalsContact C-N 3.3Å; L340-C342 PolarHBondContact O-N 3.3Å
341	G	88.2	Confident	90.8	Very high	2 Å²	2	63.4 Å²	63.4	2%	0.021	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-17.7	-180	0	0	0	0	0	115.1	V298 E323 P337 K338 E339	V298-G341 VanDerWaalsContact CG1-O 3.24Å; V298-G341 WeakPolarHBondContact CG1-O 3.31Å; E323-G341 VanDerWaalsContact CG-O 3.26Å; E323-G341 WeakPolarHBondContact CG-O 3.49Å; P337-G341 PolarHBondContact O-N 3.39Å; K338-G341 PolarHBondContact O-N 3.18Å; E339-G341 PolarHBondContact O-N 3.46Å
342	C	92.3	Very high	90.8	Very high	25 Å²	25	57.7 Å²	57.7	17%	0.169	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-133.3	-7.4	-169.4	-58	0	0	0	0	114.2	V298 E323 E339 L340 S344 N345 H346	V298-C342 PolarHBondContact O-SG 3.45Å; V298-C342 VanDerWaalsContact O-SG 3.37Å; E323-C342 WeakPolarHBondContact OE1-CA 3.44Å; E339-C342 PolarHBondContact O-N 2.8Å; E339-C342 VanDerWaalsContact O-N 3.09Å; L340-C342 VanDerWaalsContact C-N 3.3Å; L340-C342 PolarHBondContact O-N 3.3Å; C342-S344 PolarHBondContact O-N 2.98Å; C342-N345 PolarHBondContact O-N 2.86Å; C342-H346 PolarHBondContact O-N 2.94Å; C342-H346 PolarHBondContact O-ND1 3.47Å
343	V	94.1	Very high	91	Very high	25 Å²	25	60.1 Å²	60.1	15%	0.152	33%	0.332	C	S	.	.	H	α-helix	trans	-58.5	-45.1	-169.9	66	0	0	0	0	113.2	E323 T330 K332 L335 E339 H346 V347	E323-V343 PolarHBondContact OE1-N 2.86Å; T330-V343 HydrophobicContact CG2-CG2 3.94Å; K332-V343 HydrophobicContact CD-CG1 4.25Å; K332-V343 HydrophobicContact CG-CG1 4.22Å; L335-V343 HydrophobicContact CD1-CB 4.03Å; L335-V343 HydrophobicContact CD1-CG1 4.04Å; L335-V343 HydrophobicContact CD1-CG2 3.9Å; E339-V343 WeakPolarHBondContact O-CB 3.44Å; E339-V343 PolarHBondContact O-N 2.9Å; V343-H346 PolarHBondContact O-N 3.15Å; V343-V347 WeakPolarHBondContact O-CG2 3.2Å; V343-V347 PolarHBondContact O-N 3.47Å
344	S	93.6	Very high	91.3	Very high	5 Å²	5	55.2 Å²	55.2	4%	0.035	31%	0.308	C	S	.	.	H	α-helix	trans	-71.3	-36.6	-177.8	-42.2	0	0	0	0	111	E323 K332 C342 V347 M348	E323-S344 VanDerWaalsContact CD-N 3.34Å; E323-S344 WeakPolarHBondContact OE1-CA 3.41Å; E323-S344 WeakPolarHBondContact OE1-CB 3.41Å; E323-S344 PolarHBondContact OE1-N 3.05Å; E323-S344 WeakPolarHBondContact OE2-CB 3.3Å; E323-S344 PolarHBondContact OE2-N 3.4Å; E323-S344 PolarHBondContact OE2-OG 3.22Å; K332-S344 WeakPolarHBondContact CE-OG 3.43Å; K332-S344 PolarHBondContact NZ-OG 3.33Å; C342-S344 PolarHBondContact O-N 2.98Å; S344-V347 PolarHBondContact O-N 2.91Å; S344-M348 PolarHBondContact O-N 3Å
345	N	93.7	Very high	91.6	Very high	12 Å²	12	54 Å²	54	6%	0.064	28%	0.283	C	S	.	.	H	α-helix	trans	-63.4	-43.7	172.6	-75	-84.3	0	0	0	111.6	S319 E323 C342 V347 M348 Q349	S319-N345 PolarHBondContact O-ND2 3.19Å; E323-N345 PolarHBondContact OE1-N 3.12Å; E323-N345 PolarHBondContact OE1-ND2 3.4Å; C342-N345 PolarHBondContact O-N 2.86Å; N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.08Å; N345-M348 WeakPolarHBondContact O-CB 3.41Å; N345-M348 PolarHBondContact O-N 2.94Å; N345-M348 VanDerWaalsContact O-N 3.15Å; N345-Q349 WeakPolarHBondContact O-CG 3.44Å; N345-Q349 PolarHBondContact O-N 3.42Å
346	H	93.4	Very high	91.7	Very high	111 Å²	111	52.8 Å²	52.8	51%	0.514	28%	0.275	S	S	.	.	H	α-helix	trans	-62	-38	176.2	-73.3	153.6	0	0	0	112.4	C342 V343 M348 Q349 S350	C342-H346 PolarHBondContact O-N 2.94Å; C342-H346 PolarHBondContact O-ND1 3.47Å; V343-H346 PolarHBondContact O-N 3.15Å; H346-M348 VanDerWaalsContact C-N 3.32Å; H346-M348 PolarHBondContact O-N 3.43Å; H346-Q349 PolarHBondContact CD2-OE1 2.72Å; H346-Q349 PolarHBondContact O-N 2.95Å; H346-S350 PolarHBondContact O-N 2.89Å
347	V	94	Very high	91.6	Very high	38 Å²	38	51.4 Å²	51.4	23%	0.23	27%	0.27	C	S	.	.	H	α-helix	trans	-58.3	-45.9	173.5	172.4	0	0	0	0	110.4	Y328 T330 V343 S344 N345 S350 L351	Y328-V347 HydrophobicContact CD2-CG1 3.66Å; Y328-V347 HydrophobicContact CE2-CG1 4.34Å; Y328-V347 HydrophobicContact CG-CG1 4.29Å; T330-V347 HydrophobicContact CG2-CG2 4.11Å; V343-V347 WeakPolarHBondContact O-CG2 3.2Å; V343-V347 PolarHBondContact O-N 3.47Å; S344-V347 PolarHBondContact O-N 2.91Å; N345-V347 VanDerWaalsContact C-N 3.31Å; N345-V347 PolarHBondContact O-N 3.08Å; V347-S350 PolarHBondContact O-N 3.43Å; V347-S350 PolarHBondContact O-OG 3.28Å; V347-L351 PolarHBondContact O-N 3.29Å
348	M	91.2	Very high	91.7	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.015	25%	0.252	C	S	.	.	H	α-helix	trans	-61.6	-45.5	176.1	-66.4	-64.7	159.8	0	0	112.8	A291 V327 Y328 S344 N345 H346 S350 L351 W352	A291-M348 HydrophobicContact CB-CB 3.76Å; A291-M348 HydrophobicContact CB-CG 3.94Å; V327-M348 HydrophobicContact CG2-CE 3.09Å; Y328-M348 HydrophobicContact CD2-CE 3.28Å; Y328-M348 HydrophobicContact CD2-SD 4.23Å; Y328-M348 HydrophobicContact CE2-CE 3.11Å; Y328-M348 HydrophobicContact CE2-SD 3.59Å; Y328-M348 VanDerWaalsContact CE2-SD 3.59Å; Y328-M348 HydrophobicContact CG-CE 4.47Å; S344-M348 PolarHBondContact O-N 3Å; N345-M348 WeakPolarHBondContact O-CB 3.41Å; N345-M348 PolarHBondContact O-N 2.94Å; N345-M348 VanDerWaalsContact O-N 3.15Å; H346-M348 VanDerWaalsContact C-N 3.32Å; H346-M348 PolarHBondContact O-N 3.43Å; M348-S350 PolarHBondContact O-N 2.94Å; M348-L351 WeakPolarHBondContact O-CB 3.44Å; M348-L351 PolarHBondContact O-N 3.22Å; M348-W352 PolarHBondContact O-N 2.79Å
349	Q	90.2	Very high	91.5	Very high	87 Å²	87	46.6 Å²	46.6	41%	0.407	24%	0.244	S	C	.	.	H	α-helix	trans	-65.3	-24.5	179	-68.8	171.8	-0.4	0	0	112.5	M292 N345 H346 L351	M292-Q349 HydrophobicContact SD-CB 4.49Å; M292-Q349 HydrophobicContact SD-CG 3.97Å; N345-Q349 WeakPolarHBondContact O-CG 3.44Å; N345-Q349 PolarHBondContact O-N 3.42Å; H346-Q349 PolarHBondContact CD2-OE1 2.72Å; H346-Q349 PolarHBondContact O-N 2.95Å; Q349-L351 VanDerWaalsContact C-N 3.33Å
350	S	92.3	Very high	91.3	Very high	74 Å²	74	44.3 Å²	44.3	52%	0.517	23%	0.233	S	C	.	.	H	α-helix	trans	-72.4	-26.8	173	80.5	0	0	0	0	113.1	H346 V347 M348 T374	H346-S350 PolarHBondContact O-N 2.89Å; V347-S350 PolarHBondContact O-N 3.43Å; V347-S350 PolarHBondContact O-OG 3.28Å; M348-S350 PolarHBondContact O-N 2.94Å; S350-T374 VanDerWaalsContact O-CB 3.29Å; S350-T374 WeakPolarHBondContact O-CB 3.16Å; S350-T374 PolarHBondContact O-OG1 3.05Å
351	L	91.1	Very high	90.7	Very high	67 Å²	67	42.5 Å²	42.5	35%	0.351	22%	0.224	S	C	.	.	H	α-helix	trans	-84.6	-28.5	-178.6	-63.6	172.3	0	0	0	112.9	Y328 V347 M348 Q349 T374	Y328-L351 HydrophobicContact CD2-CD1 4.3Å; Y328-L351 HydrophobicContact CE2-CD1 3.34Å; Y328-L351 WeakPolarHBondContact OH-CD1 3.2Å; V347-L351 PolarHBondContact O-N 3.29Å; M348-L351 WeakPolarHBondContact O-CB 3.44Å; M348-L351 PolarHBondContact O-N 3.22Å; Q349-L351 VanDerWaalsContact C-N 3.33Å; L351-T374 VanDerWaalsContact C-OG1 3.23Å; L351-T374 PolarHBondContact O-N 3.43Å; L351-T374 PolarHBondContact O-OG1 3.06Å
352	W	91.7	Very high	89.8	Confident	31 Å²	31	46.3 Å²	46.3	12%	0.117	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	125.5	-176	-65.9	95.2	0	0	0	111.6	M292 M348 C371 P373 T374 V380 K383 F385	M292-W352 HydrophobicContact CE-CB 3.71Å; M292-W352 VanDerWaalsContact CE-O 3.28Å; M292-W352 WeakPolarHBondContact CE-O 3.02Å; M292-W352 HydrophobicContact CG-CB 4.21Å; M292-W352 HydrophobicContact SD-CB 4.01Å; M348-W352 PolarHBondContact O-N 2.79Å; W352-C371 HydrophobicContact CB-CB 4.33Å; W352-C371 HydrophobicContact CD2-CB 4.41Å; W352-C371 HydrophobicContact CE3-CB 3.77Å; W352-C371 HydrophobicContact CZ3-CB 4.49Å; W352-P373 HydrophobicContact CE3-CB 4.42Å; W352-P373 HydrophobicContact CZ3-CB 4.33Å; W352-P373 HydrophobicContact CZ3-CG 4.41Å; W352-T374 PolarHBondContact N-OG1 2.81Å; W352-V380 HydrophobicContact CH2-CG1 3.75Å; W352-V380 HydrophobicContact CZ2-CG1 4.41Å; W352-K383 HydrophobicContact CH2-CB 4.27Å; W352-K383 HydrophobicContact CH2-CD 3.9Å; W352-K383 HydrophobicContact CH2-CG 3.91Å; W352-K383 HydrophobicContact CZ3-CB 4.17Å; W352-K383 HydrophobicContact CZ3-CG 4.2Å; W352-F385 HydrophobicContact CD2-CE2 4.03Å; W352-F385 HydrophobicContact CD2-CZ 4.04Å; W352-F385 AromaticContact CE2-CZ 3.84Å; W352-F385 HydrophobicContact CE3-CE2 4.23Å; W352-F385 HydrophobicContact CE3-CZ 4.27Å; W352-F385 HydrophobicContact CG-CE2 4.33Å; W352-F385 HydrophobicContact CH2-CZ 4.13Å; W352-F385 AromaticContact CZ2-CZ 3.9Å; W352-F385 HydrophobicContact CZ2-CZ 3.9Å; W352-F385 HydrophobicContact CZ3-CZ 4.3Å
353	N	91.9	Very high	88.9	Confident	93 Å²	93	50.3 Å²	50.3	50%	0.497	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	115.4	168.5	-173.1	16.9	0	0	0	110.1	V355 C371 M372	N353-V355 PolarHBondContact O-N 2.93Å; N353-C371 VanDerWaalsContact O-CA 3.32Å; N353-C371 WeakPolarHBondContact O-CA 3.26Å; N353-M372 PolarHBondContact N-O 2.89Å; N353-M372 PolarHBondContact O-N 3.04Å
354	K	92.8	Very high	88.3	Confident	65 Å²	65	49.8 Å²	49.8	28%	0.283	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	110.4	172.8	-178.2	-171.7	-81.5	-171.8	0	109	M292 N294 D295 V369	M292-K354 HydrophobicContact CE-CB 3.91Å; M292-K354 WeakPolarHBondContact O-CE 3.31Å; M292-K354 PolarHBondContact O-NZ 3.08Å; M292-K354 VanDerWaalsContact O-NZ 3.1Å; N294-K354 PolarHBondContact O-NZ 3.18Å; D295-K354 IonicContact OD1-NZ 2.83Å; D295-K354 PolarHBondContact OD1-NZ 2.47Å; K354-V369 HydrophobicContact CD-CG1 4.3Å; K354-V369 HydrophobicContact CG-CB 4.37Å
355	V	91.6	Very high	88	Confident	62 Å²	62	55.3 Å²	55.3	38%	0.376	28%	0.276	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	-49.8	-177.8	-168.6	0	0	0	0	110.8	N353 Y370 M372	N353-V355 PolarHBondContact O-N 2.93Å; V355-Y370 HydrophobicContact CB-CD1 4.02Å; V355-Y370 HydrophobicContact CG2-CD1 3.79Å; V355-Y370 HydrophobicContact CG2-CE1 4.3Å; V355-Y370 PolarHBondContact N-O 3.48Å; V355-M372 HydrophobicContact CG2-CB 4.4Å; V355-M372 HydrophobicContact CG2-CE 3.5Å; V355-M372 HydrophobicContact CG2-CG 3.84Å; V355-M372 HydrophobicContact CG2-SD 4.34Å
356	F	91	Very high	87.9	Confident	31 Å²	31	54.7 Å²	54.7	14%	0.136	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	160.9	176.1	56.6	-94.8	0	0	0	111.1	L358 Y370 P445 M448 L450	F356-L358 HydrophobicContact CD2-CD2 4.02Å; F356-L358 HydrophobicContact CE2-CD2 3.92Å; F356-L358 HydrophobicContact CE2-CG 4.38Å; F356-Y370 HydrophobicContact CE1-CD1 4.04Å; F356-Y370 HydrophobicContact CE1-CD2 4.22Å; F356-Y370 AromaticContact CE1-CG 3.72Å; F356-Y370 HydrophobicContact CE1-CG 3.72Å; F356-Y370 HydrophobicContact CE2-CD2 4.43Å; F356-Y370 HydrophobicContact CE2-CG 4.2Å; F356-Y370 HydrophobicContact CZ-CD1 4.31Å; F356-Y370 AromaticContact CZ-CD2 3.69Å; F356-Y370 HydrophobicContact CZ-CD2 3.69Å; F356-Y370 AromaticContact CZ-CG 3.53Å; F356-Y370 HydrophobicContact CZ-CG 3.53Å; F356-Y370 PolarHBondContact O-N 3.4Å; F356-P445 HydrophobicContact CE1-CB 3.9Å; F356-P445 HydrophobicContact CE1-CG 4.03Å; F356-P445 HydrophobicContact CZ-CB 4.45Å; F356-M448 HydrophobicContact CE2-SD 4.02Å; F356-M448 HydrophobicContact CZ-SD 3.71Å; F356-L450 HydrophobicContact CB-CD1 4.47Å; F356-L450 HydrophobicContact CD1-CD1 4.13Å; F356-L450 HydrophobicContact CD2-CD1 4.27Å; F356-L450 HydrophobicContact CD2-CD2 3.79Å; F356-L450 HydrophobicContact CE1-CD1 4.47Å; F356-L450 HydrophobicContact CE2-CD2 3.6Å; F356-L450 HydrophobicContact CG-CD1 4.04Å; F356-L450 HydrophobicContact CG-CD2 4.39Å; F356-L450 HydrophobicContact CZ-CD2 4.05Å
357	T	91.2	Very high	87.9	Confident	43 Å²	43	49.9 Å²	49.9	26%	0.264	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	127.6	175.7	-58	0	0	0	0	109.2	E359 M367 S368 V369	T357-E359 PolarHBondContact O-N 2.95Å; T357-M367 HydrophobicContact CG2-CG 4.15Å; T357-M367 HydrophobicContact CG2-SD 4.39Å; T357-S368 CarbonylContact C-O 3.56Å; T357-V369 HydrophobicContact CG2-CG1 3.89Å
358	L	90.8	Very high	88	Confident	1 Å²	1	48 Å²	48	1%	0.005	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	96.8	160.3	-55.1	-171.5	0	0	0	107.1	F356 R364 S368 M384 L450 F456 Y459	F356-L358 HydrophobicContact CD2-CD2 4.02Å; F356-L358 HydrophobicContact CE2-CD2 3.92Å; F356-L358 HydrophobicContact CE2-CG 4.38Å; L358-R364 PolarHBondContact O-NH2 3.37Å; L358-S368 WeakPolarHBondContact CB-OG 3.12Å; L358-S368 WeakPolarHBondContact CD1-OG 3.36Å; L358-S368 PolarHBondContact N-O 3.07Å; L358-S368 PolarHBondContact O-N 3.18Å; L358-S368 VanDerWaalsContact O-N 3.14Å; L358-M384 HydrophobicContact CD1-CE 3.59Å; L358-M384 HydrophobicContact CG-CE 4.35Å; L358-L450 HydrophobicContact CD2-CD2 3.85Å; L358-F456 HydrophobicContact CB-CD2 3.95Å; L358-F456 HydrophobicContact CB-CE2 4.31Å; L358-F456 HydrophobicContact CB-CG 4.13Å; L358-F456 HydrophobicContact CD1-CB 4.23Å; L358-F456 HydrophobicContact CD1-CD1 4.33Å; L358-F456 HydrophobicContact CD1-CG 4.25Å; L358-F456 HydrophobicContact CD2-CD1 3.88Å; L358-F456 HydrophobicContact CD2-CD2 4.49Å; L358-F456 HydrophobicContact CD2-CE1 3.82Å; L358-F456 HydrophobicContact CD2-CE2 4.42Å; L358-F456 HydrophobicContact CD2-CG 4.24Å; L358-F456 HydrophobicContact CD2-CZ 4.1Å; L358-F456 HydrophobicContact CG-CG 4.45Å; L358-Y459 HydrophobicContact CD1-CD2 4.03Å
359	E	85.4	Confident	88.2	Confident	71 Å²	71	47.9 Å²	47.9	33%	0.332	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-57.6	148	-174.9	59.8	176.5	146.6	0	0	112.2	T40 T357 S361 R364 F456	T40-E359 WeakPolarHBondContact CB-OE1 3.49Å; T40-E359 WeakPolarHBondContact CB-OE2 3.27Å; T40-E359 HydrophobicContact CG2-CG 3.9Å; T40-E359 VanDerWaalsContact OG1-CD 3.3Å; T40-E359 PolarHBondContact OG1-OE1 2.81Å; T357-E359 PolarHBondContact O-N 2.95Å; E359-S361 PolarHBondContact O-N 2.9Å; E359-R364 VanDerWaalsContact C-NH2 3.35Å; E359-R364 PolarHBondContact O-NH2 3.22Å; E359-F456 HydrophobicContact CG-CE2 4.06Å
360	F	86.6	Confident	88.5	Confident	44 Å²	44	44.5 Å²	44.5	19%	0.193	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.7	126.9	-177.9	177.3	-83.6	0	0	0	111.4	T41 R43 I57 R362 K365 S366 M367	T41-F360 WeakPolarHBondContact CG2-O 3.33Å; R43-F360 VanDerWaalsContact NH2-CB 3.32Å; I57-F360 HydrophobicContact CD1-CD1 3.72Å; I57-F360 HydrophobicContact CD1-CE1 3.27Å; I57-F360 HydrophobicContact CD1-CZ 4.19Å; F360-R362 HydrophobicContact CE1-CG 4.19Å; F360-K365 HydrophobicContact CE2-CB 4.45Å; F360-K365 HydrophobicContact CZ-CB 4.32Å; F360-S366 WeakPolarHBondContact CA-O 3.36Å; F360-S366 VanDerWaalsContact CD2-O 3.25Å; F360-S366 WeakPolarHBondContact CD2-O 3.3Å; F360-M367 HydrophobicContact CB-CB 4.2Å; F360-M367 HydrophobicContact CB-CE 4.37Å
361	S	78.3	Confident	88.6	Confident	3 Å²	3	41 Å²	41	2%	0.021	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	142.9	173.4	69.2	0	0	0	0	110.9	E359 N363 R364 K365 S366	E359-S361 PolarHBondContact O-N 2.9Å; S361-N363 WeakPolarHBondContact CB-OD1 3.48Å; S361-N363 PolarHBondContact O-N 3.06Å; S361-N363 PolarHBondContact OG-OD1 3.44Å; S361-R364 WeakPolarHBondContact O-CG 3.13Å; S361-R364 PolarHBondContact O-N 2.89Å; S361-R364 WeakPolarHBondContact OG-CD 3.34Å; S361-R364 VanDerWaalsContact OG-CG 3.26Å; S361-R364 WeakPolarHBondContact OG-CG 3.25Å; S361-R364 PolarHBondContact OG-NE 2.86Å; S361-K365 WeakPolarHBondContact O-CA 3.49Å; S361-K365 PolarHBondContact O-N 3.04Å; S361-S366 PolarHBondContact N-O 3.31Å
362	R	68.6	Low	88.6	Confident	82 Å²	82	41.6 Å²	41.6	31%	0.309	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-32.1	-170.7	-74.7	-175.9	-71.5	-161.8	-4.9	114.7	I57 K58 H59 F360 R364 K365	I57-R362 HydrophobicContact CB-CG 4.44Å; I57-R362 HydrophobicContact CD1-CG 4.15Å; I57-R362 VanDerWaalsContact CG2-CD 3.42Å; I57-R362 HydrophobicContact CG2-CG 3.78Å; K58-R362 PolarHBondContact O-NH1 3.07Å; K58-R362 PolarHBondContact O-NH2 2.89Å; H59-R362 VanDerWaalsContact N-NH1 3.17Å; F360-R362 HydrophobicContact CE1-CG 4.19Å; R362-R364 VanDerWaalsContact C-N 3.26Å; R362-R364 PolarHBondContact O-N 3.12Å; R362-K365 WeakPolarHBondContact O-CG 3.21Å
363	N	72.8	Confident	88.6	Confident	109 Å²	109	41.7 Å²	41.7	58%	0.583	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.6	-42.5	177	54.7	-16	0	0	0	111.3	S361	S361-N363 WeakPolarHBondContact CB-OD1 3.48Å; S361-N363 PolarHBondContact O-N 3.06Å; S361-N363 PolarHBondContact OG-OD1 3.44Å
364	R	83	Confident	88.4	Confident	14 Å²	14	41 Å²	41	5%	0.053	20%	0.204	C	C	.	.	T	Hydrogen-bonded Turn	trans	-97.5	-18.4	-179.9	68.7	-167.4	178.6	92.2	-11.2	114.7	L358 E359 S361 R362 S366 R396 E460	L358-R364 PolarHBondContact O-NH2 3.37Å; E359-R364 VanDerWaalsContact C-NH2 3.35Å; E359-R364 PolarHBondContact O-NH2 3.22Å; S361-R364 WeakPolarHBondContact O-CG 3.13Å; S361-R364 PolarHBondContact O-N 2.89Å; S361-R364 WeakPolarHBondContact OG-CD 3.34Å; S361-R364 VanDerWaalsContact OG-CG 3.26Å; S361-R364 WeakPolarHBondContact OG-CG 3.25Å; S361-R364 PolarHBondContact OG-NE 2.86Å; R362-R364 VanDerWaalsContact C-N 3.26Å; R362-R364 PolarHBondContact O-N 3.12Å; R364-S366 WeakPolarHBondContact CG-OG 3.4Å; R364-S366 PolarHBondContact NH1-O 3.24Å; R364-S366 PolarHBondContact NH1-OG 3.25Å; R364-S366 PolarHBondContact NH2-O 2.85Å; R364-S366 PolarHBondContact O-N 3.44Å; R364-R396 PolarHBondContact O-NH2 2.56Å; R364-E460 IonicContact CZ-OE1 3.5Å; R364-E460 IonicContact CZ-OE2 3.05Å; R364-E460 IonicContact NE-OE2 3.28Å; R364-E460 IonicContact NH1-OE1 3.71Å; R364-E460 PolarHBondContact NH1-OE1 3.44Å; R364-E460 IonicContact NH1-OE2 2.74Å; R364-E460 PolarHBondContact NH1-OE2 3.07Å; R364-E460 IonicContact NH2-OE1 2.85Å
365	K	87.6	Confident	87.7	Confident	120 Å²	120	45.9 Å²	45.9	52%	0.522	23%	0.225	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	35.6	-176.5	-57.2	-176.4	-178.7	172.7	0	113.8	F360 S361 R362 G388 A389	F360-K365 HydrophobicContact CE2-CB 4.45Å; F360-K365 HydrophobicContact CZ-CB 4.32Å; S361-K365 WeakPolarHBondContact O-CA 3.49Å; S361-K365 PolarHBondContact O-N 3.04Å; R362-K365 WeakPolarHBondContact O-CG 3.21Å; K365-G388 VanDerWaalsContact O-CA 3.31Å; K365-G388 WeakPolarHBondContact O-CA 3.46Å; K365-A389 HydrophobicContact CB-CB 3.79Å; K365-A389 HydrophobicContact CD-CB 4.2Å; K365-A389 PolarHBondContact O-N 3.28Å
366	S	91.6	Very high	86.4	Confident	0 Å²	0	50.1 Å²	50.1	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	171.5	175.7	48.8	0	0	0	0	109.9	F360 S361 R364 K387 R396 E460	F360-S366 WeakPolarHBondContact CA-O 3.36Å; F360-S366 VanDerWaalsContact CD2-O 3.25Å; F360-S366 WeakPolarHBondContact CD2-O 3.3Å; S361-S366 PolarHBondContact N-O 3.31Å; R364-S366 WeakPolarHBondContact CG-OG 3.4Å; R364-S366 PolarHBondContact NH1-O 3.24Å; R364-S366 PolarHBondContact NH1-OG 3.25Å; R364-S366 PolarHBondContact NH2-O 2.85Å; R364-S366 PolarHBondContact O-N 3.44Å; S366-K387 CarbonylContact C-O 3.56Å; S366-K387 WeakPolarHBondContact CA-O 3.43Å; S366-K387 VanDerWaalsContact CB-O 3.31Å; S366-K387 WeakPolarHBondContact CB-O 3.44Å; S366-R396 PolarHBondContact OG-NH2 3Å; S366-E460 PolarHBondContact OG-OE2 3.09Å
367	M	93.3	Very high	84.9	Confident	9 Å²	9	56.9 Å²	56.9	4%	0.044	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	147.9	168.2	173.4	-170.4	-89.7	0	0	106.9	C293 D295 T357 F360 V386 K387	C293-M367 PolarHBondContact SG-O 2.79Å; D295-M367 WeakPolarHBondContact OD2-CE 3.2Å; T357-M367 HydrophobicContact CG2-CG 4.15Å; T357-M367 HydrophobicContact CG2-SD 4.39Å; F360-M367 HydrophobicContact CB-CB 4.2Å; F360-M367 HydrophobicContact CB-CE 4.37Å; M367-V386 WeakPolarHBondContact O-CA 3.48Å; M367-K387 HydrophobicContact CB-CG 4.26Å; M367-K387 PolarHBondContact N-O 3.45Å; M367-K387 PolarHBondContact O-N 3.49Å; M367-K387 VanDerWaalsContact O-O 3.13Å; M367-K387 VanDerWaalsContact SD-CE 3.5Å
368	S	95.5	Very high	83.2	Confident	0 Å²	0	58.2 Å²	58.2	0%	0	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.5	160.1	169.3	68.4	0	0	0	0	112.5	T357 L358 M384 F385 E460	T357-S368 CarbonylContact C-O 3.56Å; L358-S368 WeakPolarHBondContact CB-OG 3.12Å; L358-S368 WeakPolarHBondContact CD1-OG 3.36Å; L358-S368 PolarHBondContact N-O 3.07Å; L358-S368 PolarHBondContact O-N 3.18Å; L358-S368 VanDerWaalsContact O-N 3.14Å; S368-M384 WeakPolarHBondContact OG-CE 3.39Å; S368-F385 CarbonylContact C-O 3.59Å; S368-F385 WeakPolarHBondContact CA-O 3.43Å; S368-F385 VanDerWaalsContact CB-O 3.23Å; S368-F385 WeakPolarHBondContact CB-O 3.22Å; S368-E460 WeakPolarHBondContact CB-OE1 3.21Å; S368-E460 PolarHBondContact N-OE1 3.47Å; S368-E460 PolarHBondContact OG-OE1 2.79Å
369	V	96	Very high	81.7	Confident	0 Å²	0	67 Å²	67	0%	0	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	138.7	174.4	-63.8	0	0	0	0	109.9	M292 C293 K354 T357 M384 F385	M292-V369 HydrophobicContact CB-CG2 4.25Å; C293-V369 HydrophobicContact CB-CG1 4.43Å; C293-V369 HydrophobicContact CB-CG2 3.83Å; K354-V369 HydrophobicContact CD-CG1 4.3Å; K354-V369 HydrophobicContact CG-CB 4.37Å; T357-V369 HydrophobicContact CG2-CG1 3.89Å; V369-M384 CarbonylContact O-C 3.56Å; V369-M384 WeakPolarHBondContact O-CA 2.75Å; V369-F385 HydrophobicContact CG2-CB 3.86Å; V369-F385 HydrophobicContact CG2-CD2 4.12Å; V369-F385 PolarHBondContact N-O 3.12Å; V369-F385 PolarHBondContact O-N 3.41Å
370	Y	95.6	Very high	80.8	Confident	15 Å²	15	66.8 Å²	66.8	6%	0.059	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	120.8	173	-169.8	-76.8	0	0	0	108.9	V355 F356 M372 A382 M384 P442 L443 P445 M448	V355-Y370 HydrophobicContact CB-CD1 4.02Å; V355-Y370 HydrophobicContact CG2-CD1 3.79Å; V355-Y370 HydrophobicContact CG2-CE1 4.3Å; V355-Y370 PolarHBondContact N-O 3.48Å; F356-Y370 HydrophobicContact CE1-CD1 4.04Å; F356-Y370 HydrophobicContact CE1-CD2 4.22Å; F356-Y370 AromaticContact CE1-CG 3.72Å; F356-Y370 HydrophobicContact CE1-CG 3.72Å; F356-Y370 HydrophobicContact CE2-CD2 4.43Å; F356-Y370 HydrophobicContact CE2-CG 4.2Å; F356-Y370 HydrophobicContact CZ-CD1 4.31Å; F356-Y370 AromaticContact CZ-CD2 3.69Å; F356-Y370 HydrophobicContact CZ-CD2 3.69Å; F356-Y370 AromaticContact CZ-CG 3.53Å; F356-Y370 HydrophobicContact CZ-CG 3.53Å; F356-Y370 PolarHBondContact O-N 3.4Å; Y370-M372 HydrophobicContact CD1-CG 4.47Å; Y370-M372 HydrophobicContact CE1-CG 3.88Å; Y370-M372 HydrophobicContact CE1-SD 4.5Å; Y370-A382 HydrophobicContact CE1-CB 3.67Å; Y370-A382 HydrophobicContact CE2-CB 4.4Å; Y370-A382 VanDerWaalsContact CZ-CB 3.47Å; Y370-A382 WeakPolarHBondContact OH-CB 3.48Å; Y370-M384 HydrophobicContact CD2-CG 3.61Å; Y370-M384 HydrophobicContact CD2-SD 4.02Å; Y370-M384 HydrophobicContact CE2-CG 4.44Å; Y370-M384 HydrophobicContact CG-CG 4.22Å; Y370-P442 HydrophobicContact CD2-CB 4.21Å; Y370-P442 HydrophobicContact CD2-CG 4.21Å; Y370-P442 HydrophobicContact CE2-CB 3.79Å; Y370-P442 HydrophobicContact CE2-CG 3.56Å; Y370-L443 WeakPolarHBondContact CE2-O 3.24Å; Y370-P445 HydrophobicContact CD1-CG 4.35Å; Y370-P445 HydrophobicContact CE1-CG 3.76Å; Y370-P445 HydrophobicContact CE2-CG 4.04Å; Y370-P445 WeakPolarHBondContact OH-CD 3.16Å; Y370-M448 HydrophobicContact CD2-CE 4.19Å; Y370-M448 HydrophobicContact CE2-CE 4.26Å
371	C	94.5	Very high	80.7	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.3	136.1	-174.1	-68.8	0	0	0	0	111.1	W352 N353 A382 K383 F385	W352-C371 HydrophobicContact CB-CB 4.33Å; W352-C371 HydrophobicContact CD2-CB 4.41Å; W352-C371 HydrophobicContact CE3-CB 3.77Å; W352-C371 HydrophobicContact CZ3-CB 4.49Å; N353-C371 VanDerWaalsContact O-CA 3.32Å; N353-C371 WeakPolarHBondContact O-CA 3.26Å; C371-A382 WeakPolarHBondContact O-CA 3.5Å; C371-K383 PolarHBondContact N-O 3.27Å; C371-K383 PolarHBondContact O-N 3.31Å; C371-F385 HydrophobicContact CB-CD2 4.04Å; C371-F385 HydrophobicContact CB-CE2 3.7Å
372	M	91.6	Very high	81.2	Confident	81 Å²	81	68 Å²	68	40%	0.399	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	139.4	170	-65.5	-168.2	-71.5	0	0	109.2	N353 V355 Y370 T374 A382	N353-M372 PolarHBondContact N-O 2.89Å; N353-M372 PolarHBondContact O-N 3.04Å; V355-M372 HydrophobicContact CG2-CB 4.4Å; V355-M372 HydrophobicContact CG2-CE 3.5Å; V355-M372 HydrophobicContact CG2-CG 3.84Å; V355-M372 HydrophobicContact CG2-SD 4.34Å; Y370-M372 HydrophobicContact CD1-CG 4.47Å; Y370-M372 HydrophobicContact CE1-CG 3.88Å; Y370-M372 HydrophobicContact CE1-SD 4.5Å; M372-T374 PolarHBondContact O-N 3.14Å; M372-A382 HydrophobicContact CG-CB 4.08Å
373	P	91.1	Very high	82.5	Confident	33 Å²	33	65.6 Å²	65.6	21%	0.214	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.3	137.3	175.9	20.3	-23.8	0	0	0	110.6	W352 K375 V380	W352-P373 HydrophobicContact CE3-CB 4.42Å; W352-P373 HydrophobicContact CZ3-CB 4.33Å; W352-P373 HydrophobicContact CZ3-CG 4.41Å; P373-K375 VanDerWaalsContact C-N 3.31Å; P373-K375 PolarHBondContact O-N 3.01Å; P373-V380 HydrophobicContact CG-CG1 4.41Å; P373-V380 WeakPolarHBondContact CG-O 3.42Å
374	T	86.8	Confident	83.6	Confident	79 Å²	79	60.4 Å²	60.4	49%	0.485	33%	0.329	S	S	.	.	S	Bend	trans	-69.9	-30.1	-177.1	-48.5	0	0	0	0	112.2	S350 L351 W352 M372	S350-T374 VanDerWaalsContact O-CB 3.29Å; S350-T374 WeakPolarHBondContact O-CB 3.16Å; S350-T374 PolarHBondContact O-OG1 3.05Å; L351-T374 VanDerWaalsContact C-OG1 3.23Å; L351-T374 PolarHBondContact O-N 3.43Å; L351-T374 PolarHBondContact O-OG1 3.06Å; W352-T374 PolarHBondContact N-OG1 2.81Å; M372-T374 PolarHBondContact O-N 3.14Å
375	K	79.4	Confident	84.3	Confident	167 Å²	167	59.8 Å²	59.8	73%	0.726	33%	0.327	S	S	*	.	S	Bend	trans	-110.7	116.6	175.6	-68	-176.7	-179	178	0	108.7	P373 K377	P373-K375 VanDerWaalsContact C-N 3.31Å; P373-K375 PolarHBondContact O-N 3.01Å; K375-K377 PolarHBondContact O-N 3Å
376	D	64.8	Low	84.7	Confident	150 Å²	150	54 Å²	54	80%	0.802	30%	0.302	S	S	*	.			trans	-73.8	91.6	179.5	-154.5	-3.6	0	0	0	109.4	G378	D376-G378 VanDerWaalsContact C-N 3.32Å
377	K	58.7	Low	85	Confident	173 Å²	173	54.7 Å²	54.7	75%	0.752	31%	0.305	S	S	*	.			trans	-92.4	15.2	177.6	-80.1	-167.3	174.9	-174.2	0	112.8	K375 E379	K375-K377 PolarHBondContact O-N 3Å; K377-E379 PolarHBondContact O-N 3.28Å
378	G	55.6	Low	85	Confident	72 Å²	72	54.3 Å²	54.3	74%	0.742	30%	0.303	S	S	*	.	S	Bend	trans	68.8	-21.8	173.5	0	0	0	0	0	116.5	D376	D376-G378 VanDerWaalsContact C-N 3.32Å
379	E	59.2	Low	84.7	Confident	184 Å²	184	55.7 Å²	55.7	86%	0.86	32%	0.315	S	S	*	.	S	Bend	trans	-101.6	-25.4	-178.1	-74.1	-176.3	155.1	0	0	114.4	K377	K377-E379 PolarHBondContact O-N 3.28Å
380	V	67.5	Low	84.5	Confident	67 Å²	67	56.4 Å²	56.4	41%	0.406	32%	0.319	S	S	.	.			trans	-107.9	105.2	-174.9	-174.2	0	0	0	0	108.8	W352 P373	W352-V380 HydrophobicContact CH2-CG1 3.75Å; W352-V380 HydrophobicContact CZ2-CG1 4.41Å; P373-V380 HydrophobicContact CG-CG1 4.41Å; P373-V380 WeakPolarHBondContact CG-O 3.42Å
381	G	83	Confident	84.1	Confident	51 Å²	51	62.2 Å²	62.2	53%	0.526	35%	0.347	S	S	.	.			trans	-73.2	-177.1	173.7	0	0	0	0	0	112.9
382	A	90.3	Very high	83.6	Confident	23 Å²	23	63.2 Å²	63.2	19%	0.19	36%	0.358	C	S	.	.			trans	-60.9	147.5	170.8	0	0	0	0	0	111.2	Y370 C371 M372 P442	Y370-A382 HydrophobicContact CE1-CB 3.67Å; Y370-A382 HydrophobicContact CE2-CB 4.4Å; Y370-A382 VanDerWaalsContact CZ-CB 3.47Å; Y370-A382 WeakPolarHBondContact OH-CB 3.48Å; C371-A382 WeakPolarHBondContact O-CA 3.5Å; M372-A382 HydrophobicContact CG-CB 4.08Å; A382-P442 HydrophobicContact CB-CG 4.34Å; A382-P442 WeakPolarHBondContact O-CD 3.44Å
383	K	94.4	Very high	83.7	Confident	30 Å²	30	59.4 Å²	59.4	13%	0.13	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153.7	176.2	-68.4	-159.6	177.2	-150	0	110.5	E285 W352 C371 F385 D440	E285-K383 IonicContact OE1-NZ 3.87Å; E285-K383 PolarHBondContact OE1-NZ 3.05Å; W352-K383 HydrophobicContact CH2-CB 4.27Å; W352-K383 HydrophobicContact CH2-CD 3.9Å; W352-K383 HydrophobicContact CH2-CG 3.91Å; W352-K383 HydrophobicContact CZ3-CB 4.17Å; W352-K383 HydrophobicContact CZ3-CG 4.2Å; C371-K383 PolarHBondContact N-O 3.27Å; C371-K383 PolarHBondContact O-N 3.31Å; K383-F385 HydrophobicContact CB-CE1 4.23Å; K383-F385 HydrophobicContact CB-CZ 4.23Å; K383-F385 HydrophobicContact CD-CE1 4.13Å; K383-F385 HydrophobicContact CD-CZ 4.42Å; K383-D440 IonicContact NZ-OD1 3.21Å; K383-D440 PolarHBondContact NZ-OD1 2.94Å; K383-D440 VanDerWaalsContact NZ-OD1 3.12Å
384	M	95.8	Very high	83.7	Confident	0 Å²	0	58 Å²	58	0%	0	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	131.7	160.1	-69.9	171.1	62.7	0	0	110.3	L358 S368 V369 Y370 T438 I439 P442 M448 E460	L358-M384 HydrophobicContact CD1-CE 3.59Å; L358-M384 HydrophobicContact CG-CE 4.35Å; S368-M384 WeakPolarHBondContact OG-CE 3.39Å; V369-M384 CarbonylContact O-C 3.56Å; V369-M384 WeakPolarHBondContact O-CA 2.75Å; Y370-M384 HydrophobicContact CD2-CG 3.61Å; Y370-M384 HydrophobicContact CD2-SD 4.02Å; Y370-M384 HydrophobicContact CE2-CG 4.44Å; Y370-M384 HydrophobicContact CG-CG 4.22Å; M384-T438 CarbonylContact O-C 3.49Å; M384-T438 VanDerWaalsContact O-CA 3.23Å; M384-T438 WeakPolarHBondContact O-CA 3.49Å; M384-T438 PolarHBondContact O-OG1 2.82Å; M384-I439 HydrophobicContact CB-CB 4.1Å; M384-I439 HydrophobicContact CB-CD1 4.14Å; M384-I439 HydrophobicContact CB-CG1 4.35Å; M384-I439 HydrophobicContact CE-CD1 4.28Å; M384-I439 PolarHBondContact N-O 3.17Å; M384-I439 VanDerWaalsContact N-O 3.14Å; M384-I439 PolarHBondContact O-N 3.47Å; M384-I439 HydrophobicContact SD-CD1 4.29Å; M384-P442 HydrophobicContact CB-CB 4.4Å; M384-P442 HydrophobicContact CG-CB 3.66Å; M384-P442 HydrophobicContact CG-CG 4.21Å; M384-P442 HydrophobicContact SD-CB 3.61Å; M384-M448 HydrophobicContact SD-CE 3.83Å; M384-E460 HydrophobicContact CE-CG 4.39Å
385	F	97.4	Very high	83.9	Confident	1 Å²	1	60.2 Å²	60.2	0%	0.004	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	132.1	172.8	-58.6	-56.3	0	0	0	108.8	T288 I289 M292 C293 W352 S368 V369 C371 K383	T288-F385 HydrophobicContact CG2-CE1 4.18Å; T288-F385 HydrophobicContact CG2-CE2 3.94Å; T288-F385 HydrophobicContact CG2-CZ 3.65Å; I289-F385 HydrophobicContact CB-CB 4.39Å; I289-F385 HydrophobicContact CG1-CB 4.07Å; I289-F385 HydrophobicContact CG1-CD1 3.62Å; I289-F385 HydrophobicContact CG1-CE1 4.42Å; I289-F385 HydrophobicContact CG1-CG 4.11Å; I289-F385 HydrophobicContact CG2-CB 4.22Å; M292-F385 HydrophobicContact CB-CD2 3.72Å; M292-F385 HydrophobicContact CB-CE2 4.13Å; M292-F385 HydrophobicContact CG-CD2 4.27Å; M292-F385 HydrophobicContact CG-CE2 4.16Å; C293-F385 HydrophobicContact CB-CB 4.11Å; C293-F385 PolarHBondContact SG-O 2.93Å; W352-F385 HydrophobicContact CD2-CE2 4.03Å; W352-F385 HydrophobicContact CD2-CZ 4.04Å; W352-F385 AromaticContact CE2-CZ 3.84Å; W352-F385 HydrophobicContact CE3-CE2 4.23Å; W352-F385 HydrophobicContact CE3-CZ 4.27Å; W352-F385 HydrophobicContact CG-CE2 4.33Å; W352-F385 HydrophobicContact CH2-CZ 4.13Å; W352-F385 AromaticContact CZ2-CZ 3.9Å; W352-F385 HydrophobicContact CZ2-CZ 3.9Å; W352-F385 HydrophobicContact CZ3-CZ 4.3Å; S368-F385 CarbonylContact C-O 3.59Å; S368-F385 WeakPolarHBondContact CA-O 3.43Å; S368-F385 VanDerWaalsContact CB-O 3.23Å; S368-F385 WeakPolarHBondContact CB-O 3.22Å; V369-F385 HydrophobicContact CG2-CB 3.86Å; V369-F385 HydrophobicContact CG2-CD2 4.12Å; V369-F385 PolarHBondContact N-O 3.12Å; V369-F385 PolarHBondContact O-N 3.41Å; C371-F385 HydrophobicContact CB-CD2 4.04Å; C371-F385 HydrophobicContact CB-CE2 3.7Å; K383-F385 HydrophobicContact CB-CE1 4.23Å; K383-F385 HydrophobicContact CB-CZ 4.23Å; K383-F385 HydrophobicContact CD-CE1 4.13Å; K383-F385 HydrophobicContact CD-CZ 4.42Å
386	V	97.3	Very high	84.5	Confident	0 Å²	0	54.2 Å²	54.2	0%	0	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	134	-170.9	-168.8	0	0	0	0	109.6	M367 I393 G437 I439 I463	M367-V386 WeakPolarHBondContact O-CA 3.48Å; V386-I393 HydrophobicContact CG1-CD1 4.05Å; V386-G437 PolarHBondContact N-O 3.01Å; V386-G437 PolarHBondContact O-N 3.11Å; V386-I439 HydrophobicContact CG2-CD1 4.14Å; V386-I439 HydrophobicContact CG2-CG1 4.13Å; V386-I463 HydrophobicContact CG1-CD1 4.14Å; V386-I463 HydrophobicContact CG2-CD1 4.46Å
387	K	96.9	Very high	86	Confident	13 Å²	13	47.8 Å²	47.8	6%	0.057	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	150.4	169.4	75.2	-179.7	179.1	-166.5	0	111.3	C293 E315 L318 S366 M367 I393 A435 L436	C293-K387 WeakPolarHBondContact O-CD 3.37Å; C293-K387 WeakPolarHBondContact O-CE 3.45Å; C293-K387 PolarHBondContact O-NZ 3.03Å; E315-K387 WeakPolarHBondContact OE1-CE 3.23Å; E315-K387 IonicContact OE1-NZ 3.48Å; E315-K387 PolarHBondContact OE1-NZ 2.93Å; L318-K387 HydrophobicContact CD1-CD 3.98Å; S366-K387 CarbonylContact C-O 3.56Å; S366-K387 WeakPolarHBondContact CA-O 3.43Å; S366-K387 VanDerWaalsContact CB-O 3.31Å; S366-K387 WeakPolarHBondContact CB-O 3.44Å; M367-K387 HydrophobicContact CB-CG 4.26Å; M367-K387 PolarHBondContact N-O 3.45Å; M367-K387 PolarHBondContact O-N 3.49Å; M367-K387 VanDerWaalsContact O-O 3.13Å; M367-K387 VanDerWaalsContact SD-CE 3.5Å; K387-I393 VanDerWaalsContact C-CD1 3.43Å; K387-A435 WeakPolarHBondContact CA-O 3.46Å; K387-L436 HydrophobicContact CB-CD2 3.5Å; K387-L436 VanDerWaalsContact CB-CD2 3.5Å
388	G	93.5	Very high	87.6	Confident	2 Å²	2	42.1 Å²	42.1	2%	0.021	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	168.8	-172.6	-177.9	0	0	0	0	0	115.5	K365 I393 L434 A435	K365-G388 VanDerWaalsContact O-CA 3.31Å; K365-G388 WeakPolarHBondContact O-CA 3.46Å; G388-I393 VanDerWaalsContact CA-CD1 3.5Å; G388-L434 WeakPolarHBondContact O-CA 3.36Å; G388-L434 WeakPolarHBondContact O-CD2 3.42Å; G388-A435 PolarHBondContact N-O 3.34Å; G388-A435 VanDerWaalsContact N-O 3.12Å; G388-A435 PolarHBondContact O-N 3.05Å
389	A	90.5	Very high	89.5	Confident	28 Å²	28	41.3 Å²	41.3	23%	0.231	23%	0.234	C	C	.	.			trans	-60.4	130.5	177.2	0	0	0	0	0	110.4	K365 E391 G392 I393	K365-A389 HydrophobicContact CB-CB 3.79Å; K365-A389 HydrophobicContact CD-CB 4.2Å; K365-A389 PolarHBondContact O-N 3.28Å; A389-E391 PolarHBondContact O-N 3.36Å; A389-G392 PolarHBondContact O-N 3.02Å; A389-G392 VanDerWaalsContact O-N 3.16Å; A389-I393 PolarHBondContact O-N 2.81Å
390	P	91.8	Very high	91.2	Very high	15 Å²	15	32.6 Å²	32.6	10%	0.097	19%	0.193	C	C	.	.	H	α-helix	trans	-54	-48.1	-174.7	-29.2	35.1	0	0	0	114.1	G392 I393 L394 V421 C433 A435	P390-G392 VanDerWaalsContact C-N 3.34Å; P390-G392 PolarHBondContact O-N 3.17Å; P390-I393 PolarHBondContact O-N 2.8Å; P390-L394 HydrophobicContact CB-CD1 4.43Å; P390-L394 VanDerWaalsContact O-CB 3.29Å; P390-L394 WeakPolarHBondContact O-CB 3.48Å; P390-L394 WeakPolarHBondContact O-CD1 3.48Å; P390-L394 WeakPolarHBondContact O-CG 3.35Å; P390-L394 PolarHBondContact O-N 3.26Å; P390-V421 HydrophobicContact CB-CB 4.5Å; P390-V421 HydrophobicContact CB-CG1 3.82Å; P390-V421 HydrophobicContact CB-CG2 3.96Å; P390-V421 HydrophobicContact CG-CG1 3.79Å; P390-V421 HydrophobicContact CG-CG2 4.26Å; P390-C433 WeakPolarHBondContact CD-O 3.43Å; P390-C433 HydrophobicContact CG-CB 3.85Å; P390-A435 HydrophobicContact CB-CB 4.26Å; P390-A435 HydrophobicContact CG-CB 4.41Å
391	E	85.6	Confident	92.4	Very high	137 Å²	137	30.4 Å²	30.4	64%	0.64	18%	0.178	S	C	*	.	H	α-helix	trans	-57.5	-45.3	179.5	-61.9	176.4	167.5	0	0	112.4	A389 N395	A389-E391 PolarHBondContact O-N 3.36Å; E391-N395 PolarHBondContact O-N 3.38Å; E391-N395 PolarHBondContact O-ND2 2.89Å
392	G	85.6	Confident	92.7	Very high	22 Å²	22	28.7 Å²	28.7	23%	0.227	16%	0.157	C	C	.	.	H	α-helix	trans	-72.4	-29.1	-177.3	0	0	0	0	0	113.5	A389 P390 R396	A389-G392 PolarHBondContact O-N 3.02Å; A389-G392 VanDerWaalsContact O-N 3.16Å; P390-G392 VanDerWaalsContact C-N 3.34Å; P390-G392 PolarHBondContact O-N 3.17Å; G392-R396 PolarHBondContact O-NE 3.43Å; G392-R396 PolarHBondContact O-NH2 3.43Å
393	I	92.5	Very high	92.5	Very high	0 Å²	0	28 Å²	28	0%	0	15%	0.152	C	C	.	.	H	α-helix	trans	-79.6	-46.6	174.9	-74.4	-174.5	0	0	0	110.6	V386 K387 G388 A389 P390 N395 R396 C397 A435 I463 L465	V386-I393 HydrophobicContact CG1-CD1 4.05Å; K387-I393 VanDerWaalsContact C-CD1 3.43Å; G388-I393 VanDerWaalsContact CA-CD1 3.5Å; A389-I393 PolarHBondContact O-N 2.81Å; P390-I393 PolarHBondContact O-N 2.8Å; I393-N395 PolarHBondContact O-N 3.26Å; I393-R396 CarbonylContact O-C 3.44Å; I393-R396 WeakPolarHBondContact O-CA 3.41Å; I393-R396 PolarHBondContact O-N 3.35Å; I393-C397 PolarHBondContact O-N 3.23Å; I393-C397 VanDerWaalsContact O-N 3.1Å; I393-C397 PolarHBondContact O-SG 3.2Å; I393-A435 HydrophobicContact CB-CB 4.03Å; I393-A435 HydrophobicContact CD1-CB 4.17Å; I393-A435 VanDerWaalsContact CD1-O 3.31Å; I393-A435 WeakPolarHBondContact CD1-O 3.31Å; I393-A435 HydrophobicContact CG2-CB 3.98Å; I393-I463 HydrophobicContact CG2-CD1 4.33Å; I393-I463 HydrophobicContact CG2-CG2 4.42Å; I393-L465 HydrophobicContact CG2-CD1 4.32Å
394	L	92.1	Very high	91.9	Very high	3 Å²	3	29.4 Å²	29.4	2%	0.016	17%	0.17	C	C	.	.	H	α-helix	trans	-58.7	-36.4	-178.1	-72.4	167.9	0	0	0	112.3	P390 R396 C397 M409 I417 I418 L465	P390-L394 HydrophobicContact CB-CD1 4.43Å; P390-L394 VanDerWaalsContact O-CB 3.29Å; P390-L394 WeakPolarHBondContact O-CB 3.48Å; P390-L394 WeakPolarHBondContact O-CD1 3.48Å; P390-L394 WeakPolarHBondContact O-CG 3.35Å; P390-L394 PolarHBondContact O-N 3.26Å; L394-R396 PolarHBondContact O-N 3.33Å; L394-C397 PolarHBondContact O-N 2.86Å; L394-M409 HydrophobicContact CD2-CE 4.44Å; L394-I417 HydrophobicContact CD1-CG2 3.92Å; L394-I417 HydrophobicContact CD2-CG2 3.89Å; L394-I418 HydrophobicContact CD1-CG1 3.74Å; L394-L465 HydrophobicContact CD2-CD1 4.36Å; L394-L465 HydrophobicContact CD2-CD2 3.71Å
395	N	89.7	Confident	91.5	Very high	126 Å²	126	33.8 Å²	33.8	67%	0.674	19%	0.193	S	C	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-20.1	175.8	-70.9	-12.5	0	0	0	113.8	E391 I393	E391-N395 PolarHBondContact O-N 3.38Å; E391-N395 PolarHBondContact O-ND2 2.89Å; I393-N395 PolarHBondContact O-N 3.26Å
396	R	93.5	Very high	91.2	Very high	42 Å²	42	38.4 Å²	38.4	16%	0.158	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	4.5	178.1	-68.3	178.1	-70.6	160.8	-1.9	112.6	R364 S366 G392 I393 L394 E460 N462 I463	R364-R396 PolarHBondContact O-NH2 2.56Å; S366-R396 PolarHBondContact OG-NH2 3Å; G392-R396 PolarHBondContact O-NE 3.43Å; G392-R396 PolarHBondContact O-NH2 3.43Å; I393-R396 CarbonylContact O-C 3.44Å; I393-R396 WeakPolarHBondContact O-CA 3.41Å; I393-R396 PolarHBondContact O-N 3.35Å; L394-R396 PolarHBondContact O-N 3.33Å; R396-E460 WeakPolarHBondContact CD-O 3.45Å; R396-E460 IonicContact CZ-OE2 2.95Å; R396-E460 VanDerWaalsContact NH1-CB 3.28Å; R396-E460 IonicContact NH1-OE2 3.6Å; R396-E460 PolarHBondContact NH1-OE2 2.94Å; R396-E460 IonicContact NH2-OE2 3.31Å; R396-N462 PolarHBondContact O-N 2.83Å; R396-I463 HydrophobicContact CB-CD1 3.93Å; R396-I463 HydrophobicContact CB-CG1 4.45Å; R396-I463 PolarHBondContact O-N 3.14Å
397	C	94.8	Very high	90.9	Very high	14 Å²	14	39.9 Å²	39.9	10%	0.095	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	127	175.6	-70.4	0	0	0	0	110.9	I393 L394 M409 I463	I393-C397 PolarHBondContact O-N 3.23Å; I393-C397 VanDerWaalsContact O-N 3.1Å; I393-C397 PolarHBondContact O-SG 3.2Å; L394-C397 PolarHBondContact O-N 2.86Å; C397-M409 HydrophobicContact CB-CE 4.1Å; C397-I463 CarbonylContact C-O 3.55Å; C397-I463 WeakPolarHBondContact CA-O 3.31Å
398	T	93.8	Very high	90.6	Very high	54 Å²	54	43.8 Å²	43.8	33%	0.331	25%	0.247	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104	-21	171.7	54.1	0	0	0	0	112.3	M409 N462 I463	T398-M409 PolarHBondContact O-N 3.41Å; T398-N462 WeakPolarHBondContact CG2-OD1 3.39Å; T398-I463 PolarHBondContact N-O 2.92Å
399	H	94.8	Very high	90.4	Very high	56 Å²	56	45 Å²	45	26%	0.259	25%	0.253	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	163.5	-178.3	-62	76.8	0	0	0	110.8	K406 I407 I463 T464 L465	H399-K406 HydrophobicContact CB-CB 4.37Å; H399-K406 HydrophobicContact CB-CD 4.29Å; H399-I407 CarbonylContact C-O 3.29Å; H399-I407 VanDerWaalsContact CA-O 3.23Å; H399-I407 WeakPolarHBondContact CA-O 3.42Å; H399-I407 WeakPolarHBondContact CB-O 3.43Å; H399-I463 PolarHBondContact N-O 3.33Å; H399-T464 HydrophobicContact CB-CG2 4.08Å; H399-T464 WeakPolarHBondContact O-CA 3.36Å; H399-L465 PolarHBondContact O-N 2.81Å
400	V	93.9	Very high	90.4	Very high	0 Å²	0	45.7 Å²	45.7	0%	0	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	145.4	169.4	90	0	0	0	0	108.7	V238 V402 K406 I407 M409 L413 L465	V238-V400 HydrophobicContact CG2-CG1 4.18Å; V238-V400 HydrophobicContact CG2-CG2 3.51Å; V400-V402 HydrophobicContact CG1-CG2 3.82Å; V400-K406 VanDerWaalsContact O-CA 3.32Å; V400-K406 WeakPolarHBondContact O-CA 3.19Å; V400-I407 HydrophobicContact CG1-CD1 3.96Å; V400-I407 HydrophobicContact CG1-CG1 3.49Å; V400-I407 VanDerWaalsContact CG1-CG1 3.49Å; V400-I407 PolarHBondContact N-O 3.42Å; V400-I407 PolarHBondContact O-N 3.08Å; V400-M409 HydrophobicContact CB-CE 3.93Å; V400-M409 HydrophobicContact CG2-CE 3.9Å; V400-L413 HydrophobicContact CB-CD2 4.31Å; V400-L413 HydrophobicContact CG1-CD2 3.74Å; V400-L413 HydrophobicContact CG2-CD2 4.42Å; V400-L465 CarbonylContact C-O 3.54Å; V400-L465 WeakPolarHBondContact CA-O 3.42Å; V400-L465 HydrophobicContact CG2-CB 4.07Å; V400-L465 HydrophobicContact CG2-CD2 4.05Å; V400-L465 HydrophobicContact CG2-CG 4.42Å
401	R	93.3	Very high	90.3	Very high	22 Å²	22	50 Å²	50	8%	0.083	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.5	130.7	175.9	-171.1	61.4	49.5	113.1	5.5	109.7	E285 G403 D405 D440 T464 L465 V466	E285-R401 IonicContact OE1-CZ 3.15Å; E285-R401 IonicContact OE1-NH1 3.24Å; E285-R401 PolarHBondContact OE1-NH1 2.92Å; E285-R401 IonicContact OE1-NH2 2.99Å; E285-R401 WeakPolarHBondContact OE2-CG 3.46Å; E285-R401 IonicContact OE2-CZ 3.67Å; E285-R401 IonicContact OE2-NE 3.06Å; E285-R401 PolarHBondContact OE2-NE 3.42Å; E285-R401 IonicContact OE2-NH1 2.71Å; E285-R401 PolarHBondContact OE2-NH1 3.44Å; E285-R401 IonicContact OE2-NH2 2.79Å; R401-G403 WeakPolarHBondContact CD-O 3.46Å; R401-G403 VanDerWaalsContact CG-O 3.31Å; R401-G403 WeakPolarHBondContact CG-O 3.14Å; R401-D405 WeakPolarHBondContact CD-O 3.5Å; R401-D440 IonicContact CZ-OD1 3.62Å; R401-D440 IonicContact NH2-OD1 2.63Å; R401-D440 PolarHBondContact NH2-OD1 3.22Å; R401-D440 IonicContact NH2-OD2 3.31Å; R401-D440 PolarHBondContact NH2-OD2 3.21Å; R401-T464 HydrophobicContact CB-CG2 4.15Å; R401-L465 WeakPolarHBondContact CB-O 3.45Å; R401-L465 PolarHBondContact N-O 2.85Å; R401-V466 HydrophobicContact CB-CG2 4.21Å
402	V	89.7	Confident	90.4	Very high	14 Å²	14	52.6 Å²	52.6	9%	0.085	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.7	96.6	176.4	-172.9	0	0	0	0	108	V238 N240 V400 A404 D405 I407	V238-V402 HydrophobicContact CB-CG2 4.17Å; V238-V402 HydrophobicContact CG1-CG1 4.43Å; V238-V402 HydrophobicContact CG1-CG2 3.7Å; N240-V402 HydrophobicContact CB-CG1 3.92Å; V400-V402 HydrophobicContact CG1-CG2 3.82Å; V402-A404 PolarHBondContact O-N 2.8Å; V402-D405 PolarHBondContact N-O 3.35Å; V402-D405 PolarHBondContact O-N 3.39Å; V402-I407 HydrophobicContact CG2-CD1 3.88Å; V402-I407 HydrophobicContact CG2-CG1 3.89Å
403	G	85.4	Confident	90.6	Very high	8 Å²	8	51.5 Å²	51.5	8%	0.082	27%	0.274	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	-131.8	-165.8	0	0	0	0	0	111.1	R401	R401-G403 WeakPolarHBondContact CD-O 3.46Å; R401-G403 VanDerWaalsContact CG-O 3.31Å; R401-G403 WeakPolarHBondContact CG-O 3.14Å
404	A	83.2	Confident	90.6	Very high	61 Å²	61	54 Å²	54	50%	0.504	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.5	-24.8	171.6	0	0	0	0	0	113.8	E281 V402	E281-A404 WeakPolarHBondContact OE2-CA 3.32Å; E281-A404 WeakPolarHBondContact OE2-CB 3.5Å; E281-A404 PolarHBondContact OE2-N 3.04Å; V402-A404 PolarHBondContact O-N 2.8Å
405	D	87.3	Confident	90.5	Very high	91 Å²	91	60.1 Å²	60.1	49%	0.487	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	158.9	-175.6	-71.8	-31.1	0	0	0	111.6	R247 R401 V402	R247-D405 IonicContact NH2-OD2 3.93Å; R401-D405 WeakPolarHBondContact CD-O 3.5Å; V402-D405 PolarHBondContact N-O 3.35Å; V402-D405 PolarHBondContact O-N 3.39Å
406	K	89.3	Confident	90.7	Very high	98 Å²	98	57.1 Å²	57.1	43%	0.426	29%	0.293	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	138.6	167.8	69.7	-179.7	177.3	-176.5	0	110.8	H399 V400 D440 T464	H399-K406 HydrophobicContact CB-CB 4.37Å; H399-K406 HydrophobicContact CB-CD 4.29Å; V400-K406 VanDerWaalsContact O-CA 3.32Å; V400-K406 WeakPolarHBondContact O-CA 3.19Å; K406-D440 IonicContact NZ-OD2 3.19Å; K406-D440 PolarHBondContact NZ-OD2 3.32Å; K406-T464 HydrophobicContact CB-CG2 4.08Å
407	I	90.9	Very high	90.6	Very high	32 Å²	32	55.1 Å²	55.1	16%	0.164	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	153.8	173.9	65.4	172.2	0	0	0	109.9	R247 P250 H399 V400 V402	R247-I407 WeakPolarHBondContact O-CD1 3.36Å; P250-I407 HydrophobicContact CG-CD1 3.84Å; H399-I407 CarbonylContact C-O 3.29Å; H399-I407 VanDerWaalsContact CA-O 3.23Å; H399-I407 WeakPolarHBondContact CA-O 3.42Å; H399-I407 WeakPolarHBondContact CB-O 3.43Å; V400-I407 HydrophobicContact CG1-CD1 3.96Å; V400-I407 HydrophobicContact CG1-CG1 3.49Å; V400-I407 VanDerWaalsContact CG1-CG1 3.49Å; V400-I407 PolarHBondContact N-O 3.42Å; V400-I407 PolarHBondContact O-N 3.08Å; V402-I407 HydrophobicContact CG2-CD1 3.88Å; V402-I407 HydrophobicContact CG2-CG1 3.89Å
408	P	92	Very high	90.5	Very high	94 Å²	94	57.1 Å²	57.1	61%	0.61	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-58.9	138	174.1	-21.9	32.9	0	0	0	111.6	N410	P408-N410 PolarHBondContact O-N 2.9Å
409	M	89.7	Confident	90.4	Very high	28 Å²	28	57.8 Å²	57.8	14%	0.138	30%	0.296	C	S	.	.			trans	-69.9	115.9	174.2	-177	67.5	74.2	0	0	109.1	L394 C397 T398 V400 L413 Q414 I417 L465	L394-M409 HydrophobicContact CD2-CE 4.44Å; C397-M409 HydrophobicContact CB-CE 4.1Å; T398-M409 PolarHBondContact O-N 3.41Å; V400-M409 HydrophobicContact CB-CE 3.93Å; V400-M409 HydrophobicContact CG2-CE 3.9Å; M409-L413 HydrophobicContact SD-CD2 4.47Å; M409-L413 HydrophobicContact SD-CG 4.46Å; M409-Q414 HydrophobicContact CG-CB 4.23Å; M409-Q414 HydrophobicContact SD-CB 4.07Å; M409-I417 HydrophobicContact CE-CD1 4.19Å; M409-I417 HydrophobicContact SD-CD1 4.27Å; M409-L465 HydrophobicContact CE-CB 4.12Å; M409-L465 HydrophobicContact CE-CD2 4.08Å
410	N	88.8	Confident	90.2	Very high	42 Å²	42	55.8 Å²	55.8	23%	0.225	29%	0.287	C	S	.	.			trans	-99	156.9	174.9	75.1	43.9	0	0	0	111.7	E248 P408 R412 L413 Q414	E248-N410 PolarHBondContact O-ND2 3.05Å; P408-N410 PolarHBondContact O-N 2.9Å; N410-R412 VanDerWaalsContact C-N 3.26Å; N410-R412 PolarHBondContact O-N 2.9Å; N410-R412 PolarHBondContact OD1-N 2.79Å; N410-R412 VanDerWaalsContact OD1-N 3.11Å; N410-L413 PolarHBondContact O-N 3.19Å; N410-L413 WeakPolarHBondContact OD1-CB 3.27Å; N410-L413 PolarHBondContact OD1-N 3.28Å; N410-Q414 WeakPolarHBondContact O-CB 3.18Å; N410-Q414 PolarHBondContact O-N 2.84Å
411	P	89.6	Confident	90.1	Very high	106 Å²	106	56.9 Å²	56.9	69%	0.688	29%	0.293	S	S	*	.	H	α-helix	trans	-61.7	-28.3	-176.8	-25.7	34.9	0	0	0	114.7	K415	P411-K415 WeakPolarHBondContact O-CB 3.32Å; P411-K415 PolarHBondContact O-N 3.04Å
412	R	89.6	Confident	89.8	Confident	191 Å²	191	61.6 Å²	61.6	72%	0.721	32%	0.316	S	S	*	.	H	α-helix	trans	-71.1	-47.1	179.3	-70.5	-175.8	-178.8	-179.6	1.5	111.2	N410 K415 K416	N410-R412 VanDerWaalsContact C-N 3.26Å; N410-R412 PolarHBondContact O-N 2.9Å; N410-R412 PolarHBondContact OD1-N 2.79Å; N410-R412 VanDerWaalsContact OD1-N 3.11Å; R412-K415 PolarHBondContact O-N 3.28Å; R412-K416 PolarHBondContact O-N 3.15Å
413	L	89.1	Confident	89.7	Confident	0 Å²	0	68 Å²	68	0%	0	34%	0.339	C	S	.	.	H	α-helix	trans	-66.3	-42.7	177.2	-176.7	60.6	0	0	0	111	P250 L252 V400 M409 N410 K415 K416 I417	P250-L413 HydrophobicContact CG-CD1 4.32Å; P250-L413 HydrophobicContact CG-CD2 3.95Å; L252-L413 HydrophobicContact CD2-CD1 4.44Å; V400-L413 HydrophobicContact CB-CD2 4.31Å; V400-L413 HydrophobicContact CG1-CD2 3.74Å; V400-L413 HydrophobicContact CG2-CD2 4.42Å; M409-L413 HydrophobicContact SD-CD2 4.47Å; M409-L413 HydrophobicContact SD-CG 4.46Å; N410-L413 PolarHBondContact O-N 3.19Å; N410-L413 WeakPolarHBondContact OD1-CB 3.27Å; N410-L413 PolarHBondContact OD1-N 3.28Å; L413-K415 VanDerWaalsContact C-N 3.27Å; L413-K415 PolarHBondContact O-N 3.28Å; L413-K416 WeakPolarHBondContact O-CB 3.36Å; L413-K416 PolarHBondContact O-N 3.46Å; L413-I417 HydrophobicContact CD1-CD1 4.36Å; L413-I417 HydrophobicContact CG-CD1 3.99Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.24Å; L413-I417 PolarHBondContact O-N 3.46Å
414	Q	91.6	Very high	89.9	Confident	51 Å²	51	67.7 Å²	67.7	24%	0.238	34%	0.335	C	S	.	.	H	α-helix	trans	-56.2	-44.5	174.1	-171.5	-179.1	12.4	0	0	111.1	M409 N410 I417 I418	M409-Q414 HydrophobicContact CG-CB 4.23Å; M409-Q414 HydrophobicContact SD-CB 4.07Å; N410-Q414 WeakPolarHBondContact O-CB 3.18Å; N410-Q414 PolarHBondContact O-N 2.84Å; Q414-I417 PolarHBondContact O-N 3.17Å; Q414-I418 HydrophobicContact CG-CD1 4.19Å; Q414-I418 WeakPolarHBondContact O-CG1 3.46Å; Q414-I418 PolarHBondContact O-N 3.2Å
415	K	91.4	Very high	89.7	Confident	132 Å²	132	66.6 Å²	66.6	57%	0.574	33%	0.33	S	S	*	.	H	α-helix	trans	-63.8	-46.2	175.2	-172.5	177.3	178.8	-179.5	0	112.4	P411 R412 L413 I417 I418 D419	P411-K415 WeakPolarHBondContact O-CB 3.32Å; P411-K415 PolarHBondContact O-N 3.04Å; R412-K415 PolarHBondContact O-N 3.28Å; L413-K415 VanDerWaalsContact C-N 3.27Å; L413-K415 PolarHBondContact O-N 3.28Å; K415-I417 PolarHBondContact O-N 3.23Å; K415-I418 PolarHBondContact O-N 3.36Å; K415-I418 VanDerWaalsContact O-N 3.13Å; K415-D419 VanDerWaalsContact O-CG 3.28Å; K415-D419 PolarHBondContact O-N 3.44Å
416	K	92.1	Very high	89	Confident	63 Å²	63	63.6 Å²	63.6	27%	0.274	32%	0.321	S	S	.	.	H	α-helix	trans	-53.8	-42.7	175	-80.2	-177.1	177.5	174.9	0	111.7	D249 D251 R412 L413 M420	D249-K416 WeakPolarHBondContact OD1-CE 3.13Å; D249-K416 IonicContact OD1-NZ 3.35Å; D249-K416 PolarHBondContact OD1-NZ 2.89Å; D249-K416 IonicContact OD2-NZ 3.46Å; D249-K416 PolarHBondContact OD2-NZ 2.89Å; D249-K416 VanDerWaalsContact OD2-NZ 3.13Å; D251-K416 IonicContact OD1-NZ 3.82Å; D251-K416 PolarHBondContact OD1-NZ 3.48Å; R412-K416 PolarHBondContact O-N 3.15Å; L413-K416 WeakPolarHBondContact O-CB 3.36Å; L413-K416 PolarHBondContact O-N 3.46Å; K416-M420 WeakPolarHBondContact O-CB 3.48Å; K416-M420 PolarHBondContact O-N 2.81Å
417	I	93.1	Very high	88.1	Confident	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.334	C	S	.	.	H	α-helix	trans	-66.3	-45.6	178.3	-66.3	160.3	0	0	0	110.8	F236 L252 L394 M409 L413 Q414 K415 D419 M420 V421 L465	F236-I417 HydrophobicContact CE2-CG1 4.45Å; F236-I417 HydrophobicContact CE2-CG2 4.06Å; F236-I417 HydrophobicContact CZ-CG2 4Å; L252-I417 HydrophobicContact CD1-CG1 4.33Å; L252-I417 HydrophobicContact CD2-CG1 4.07Å; L394-I417 HydrophobicContact CD1-CG2 3.92Å; L394-I417 HydrophobicContact CD2-CG2 3.89Å; M409-I417 HydrophobicContact CE-CD1 4.19Å; M409-I417 HydrophobicContact SD-CD1 4.27Å; L413-I417 HydrophobicContact CD1-CD1 4.36Å; L413-I417 HydrophobicContact CG-CD1 3.99Å; L413-I417 VanDerWaalsContact O-CG1 3.31Å; L413-I417 WeakPolarHBondContact O-CG1 3.24Å; L413-I417 PolarHBondContact O-N 3.46Å; Q414-I417 PolarHBondContact O-N 3.17Å; K415-I417 PolarHBondContact O-N 3.23Å; I417-D419 PolarHBondContact O-N 3.31Å; I417-M420 PolarHBondContact O-N 3.35Å; I417-V421 HydrophobicContact CG2-CG2 4.44Å; I417-V421 VanDerWaalsContact O-CG2 3.3Å; I417-V421 WeakPolarHBondContact O-CG2 3.44Å; I417-V421 PolarHBondContact O-N 3.29Å; I417-L465 HydrophobicContact CD1-CD2 3.65Å; I417-L465 HydrophobicContact CG2-CD2 4.3Å
418	I	91.9	Very high	87.2	Confident	55 Å²	55	65.8 Å²	65.8	28%	0.282	35%	0.349	S	S	.	.	H	α-helix	trans	-60.5	-46.1	177.1	-68.9	168.1	0	0	0	110.8	L394 Q414 K415 M420 V421 Q422	L394-I418 HydrophobicContact CD1-CG1 3.74Å; Q414-I418 HydrophobicContact CG-CD1 4.19Å; Q414-I418 WeakPolarHBondContact O-CG1 3.46Å; Q414-I418 PolarHBondContact O-N 3.2Å; K415-I418 PolarHBondContact O-N 3.36Å; K415-I418 VanDerWaalsContact O-N 3.13Å; I418-M420 VanDerWaalsContact C-N 3.28Å; I418-M420 PolarHBondContact O-N 3Å; I418-V421 PolarHBondContact O-N 2.95Å; I418-Q422 HydrophobicContact CG2-CG 4.44Å; I418-Q422 WeakPolarHBondContact O-CG 3.05Å; I418-Q422 PolarHBondContact O-N 3.4Å
419	D	91.6	Very high	86.5	Confident	68 Å²	68	62.6 Å²	62.6	36%	0.364	33%	0.326	S	S	.	.	H	α-helix	trans	-61.7	-38.3	178.8	-67.8	-13	0	0	0	111	K415 I417 Q422 R423	K415-D419 VanDerWaalsContact O-CG 3.28Å; K415-D419 PolarHBondContact O-N 3.44Å; I417-D419 PolarHBondContact O-N 3.31Å; D419-Q422 PolarHBondContact O-N 3.46Å; D419-R423 WeakPolarHBondContact O-CB 3.29Å; D419-R423 PolarHBondContact O-N 3.03Å
420	M	91.7	Very high	86.1	Confident	15 Å²	15	61.8 Å²	61.8	7%	0.074	32%	0.323	C	S	.	.	H	α-helix	trans	-67.7	-42.9	174.8	-169.2	63.4	77.1	0	0	112.3	F236 L252 Q254 K416 I417 I418 Q422 R423 Y424	F236-M420 HydrophobicContact CD1-CG 3.74Å; F236-M420 HydrophobicContact CE1-CB 4.06Å; F236-M420 HydrophobicContact CE1-CG 3.56Å; F236-M420 HydrophobicContact CG-CG 4.38Å; F236-M420 HydrophobicContact CZ-CB 4.15Å; F236-M420 HydrophobicContact CZ-CG 4.1Å; L252-M420 HydrophobicContact CD1-CB 3.93Å; L252-M420 HydrophobicContact CD1-CE 4.23Å; L252-M420 HydrophobicContact CD1-CG 4.25Å; Q254-M420 HydrophobicContact CG-CE 4.1Å; Q254-M420 HydrophobicContact CG-SD 4.47Å; K416-M420 WeakPolarHBondContact O-CB 3.48Å; K416-M420 PolarHBondContact O-N 2.81Å; I417-M420 PolarHBondContact O-N 3.35Å; I418-M420 VanDerWaalsContact C-N 3.28Å; I418-M420 PolarHBondContact O-N 3Å; M420-Q422 VanDerWaalsContact C-N 3.3Å; M420-Q422 PolarHBondContact O-N 3.31Å; M420-R423 WeakPolarHBondContact O-CB 3.36Å; M420-R423 PolarHBondContact O-N 2.89Å; M420-R423 VanDerWaalsContact O-N 3.16Å; M420-R423 PolarHBondContact SD-NH1 3.24Å; M420-Y424 HydrophobicContact CG-CE1 4.38Å; M420-Y424 PolarHBondContact O-N 3.2Å; M420-Y424 HydrophobicContact SD-CD1 4.33Å; M420-Y424 HydrophobicContact SD-CE1 3.98Å
421	V	91	Very high	86	Confident	22 Å²	22	60.1 Å²	60.1	13%	0.133	31%	0.314	C	S	.	.	H	α-helix	trans	-60	-43	174.6	169.2	0	0	0	0	110.7	F236 P390 I417 I418 R423 Y424 G425 C433 V468	F236-V421 HydrophobicContact CE1-CG2 4.36Å; F236-V421 HydrophobicContact CZ-CG2 4.09Å; P390-V421 HydrophobicContact CB-CB 4.5Å; P390-V421 HydrophobicContact CB-CG1 3.82Å; P390-V421 HydrophobicContact CB-CG2 3.96Å; P390-V421 HydrophobicContact CG-CG1 3.79Å; P390-V421 HydrophobicContact CG-CG2 4.26Å; I417-V421 HydrophobicContact CG2-CG2 4.44Å; I417-V421 VanDerWaalsContact O-CG2 3.3Å; I417-V421 WeakPolarHBondContact O-CG2 3.44Å; I417-V421 PolarHBondContact O-N 3.29Å; I418-V421 PolarHBondContact O-N 2.95Å; V421-R423 VanDerWaalsContact C-N 3.33Å; V421-R423 PolarHBondContact O-N 2.96Å; V421-Y424 PolarHBondContact O-N 2.88Å; V421-G425 PolarHBondContact O-N 3.07Å; V421-C433 HydrophobicContact CG1-CB 4.05Å; V421-V468 HydrophobicContact CG2-CG1 4.18Å; V421-V468 HydrophobicContact CG2-CG2 4.28Å
422	Q	86.8	Confident	86	Confident	121 Å²	121	60.9 Å²	60.9	57%	0.565	30%	0.303	S	S	*	.	H	α-helix	trans	-64.8	-37.2	175.8	-73	-179.6	-1.2	0	0	111.8	I418 D419 M420 G426	I418-Q422 HydrophobicContact CG2-CG 4.44Å; I418-Q422 WeakPolarHBondContact O-CG 3.05Å; I418-Q422 PolarHBondContact O-N 3.4Å; D419-Q422 PolarHBondContact O-N 3.46Å; M420-Q422 VanDerWaalsContact C-N 3.3Å; M420-Q422 PolarHBondContact O-N 3.31Å; Q422-G426 WeakPolarHBondContact O-CA 3.39Å; Q422-G426 PolarHBondContact O-N 3.09Å
423	R	88.4	Confident	86.1	Confident	149 Å²	149	52.7 Å²	52.7	56%	0.562	28%	0.275	S	S	*	.	H	α-helix	trans	-66.2	-40.5	174.7	-171.1	-178.4	-65.9	132.2	-0.5	112.4	D419 M420 V421	D419-R423 WeakPolarHBondContact O-CB 3.29Å; D419-R423 PolarHBondContact O-N 3.03Å; M420-R423 WeakPolarHBondContact O-CB 3.36Å; M420-R423 PolarHBondContact O-N 2.89Å; M420-R423 VanDerWaalsContact O-N 3.16Å; M420-R423 PolarHBondContact SD-NH1 3.24Å; V421-R423 VanDerWaalsContact C-N 3.33Å; V421-R423 PolarHBondContact O-N 2.96Å
424	Y	89	Confident	86.4	Confident	2 Å²	2	53.6 Å²	53.6	1%	0.008	28%	0.279	C	S	.	.	H	α-helix	trans	-69.3	-43.2	175.7	-83	16.5	0	0	0	111.6	K234 M235 F236 M420 V421 T430 L431 C433	K234-Y424 HydrophobicContact CB-CD2 4.25Å; K234-Y424 HydrophobicContact CB-CE2 3.56Å; K234-Y424 HydrophobicContact CD-CD1 4.47Å; K234-Y424 HydrophobicContact CD-CE1 3.93Å; K234-Y424 HydrophobicContact CD-CE2 4.47Å; M235-Y424 PolarHBondContact O-OH 3.04Å; F236-Y424 HydrophobicContact CD1-CD2 4.29Å; F236-Y424 AromaticContact CD1-CE2 3.71Å; F236-Y424 HydrophobicContact CD1-CE2 3.71Å; F236-Y424 HydrophobicContact CE1-CD2 4.42Å; F236-Y424 HydrophobicContact CE1-CE2 4.29Å; M420-Y424 HydrophobicContact CG-CE1 4.38Å; M420-Y424 PolarHBondContact O-N 3.2Å; M420-Y424 HydrophobicContact SD-CD1 4.33Å; M420-Y424 HydrophobicContact SD-CE1 3.98Å; V421-Y424 PolarHBondContact O-N 2.88Å; Y424-T430 PolarHBondContact O-N 3.46Å; Y424-T430 VanDerWaalsContact O-N 3.12Å; Y424-L431 HydrophobicContact CD2-CD1 4.05Å; Y424-L431 HydrophobicContact CG-CD1 4.11Å; Y424-L431 PolarHBondContact O-N 3.46Å; Y424-C433 VanDerWaalsContact CB-SG 3.52Å
425	G	79.4	Confident	86.6	Confident	38 Å²	38	51.1 Å²	51.1	39%	0.392	27%	0.268	S	S	.	.	H	α-helix	trans	-78.3	-20	-179.1	0	0	0	0	0	114.7	V421 L431	V421-G425 PolarHBondContact O-N 3.07Å; G425-L431 WeakPolarHBondContact CA-O 3.42Å
426	G	73.2	Confident	86.9	Confident	28 Å²	28	44.9 Å²	44.9	29%	0.289	24%	0.241	S	C	.	.	S	Bend	trans	-109.9	-173.6	175.1	0	0	0	0	0	112.9	Q422 T430	Q422-G426 WeakPolarHBondContact O-CA 3.39Å; Q422-G426 PolarHBondContact O-N 3.09Å; G426-T430 PolarHBondContact O-N 3.29Å
427	G	69.9	Low	87.1	Confident	69 Å²	69	41.9 Å²	41.9	71%	0.711	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	63.3	-138.6	173.3	0	0	0	0	0	114.3	D429	G427-D429 VanDerWaalsContact C-N 3.34Å
428	K	71	Confident	87.3	Confident	107 Å²	107	41.9 Å²	41.9	47%	0.465	23%	0.228	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-16.7	-175.1	-67.2	-173.1	171.9	-167.1	0	114.2	R510 E516	K428-R510 PolarHBondContact O-NE 3.08Å; K428-R510 PolarHBondContact O-NH2 2.71Å; K428-E516 IonicContact NZ-OE1 3.45Å; K428-E516 PolarHBondContact NZ-OE1 3.03Å; K428-E516 IonicContact NZ-OE2 3.99Å; K428-E516 PolarHBondContact NZ-OE2 3.1Å
429	D	78.2	Confident	87.5	Confident	27 Å²	27	39.6 Å²	39.6	14%	0.144	22%	0.216	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.7	-45.4	-170.9	-73.1	-30.5	0	0	0	113.2	K234 G427 L431 R510	K234-D429 IonicContact NZ-OD1 3.85Å; K234-D429 PolarHBondContact NZ-OD1 3.02Å; K234-D429 IonicContact NZ-OD2 2.95Å; K234-D429 PolarHBondContact NZ-OD2 3.15Å; G427-D429 VanDerWaalsContact C-N 3.34Å; D429-L431 HydrophobicContact CB-CD1 4.24Å; D429-L431 HydrophobicContact CB-CD2 4.41Å; D429-L431 HydrophobicContact CB-CG 3.9Å; D429-L431 WeakPolarHBondContact O-CD2 3.48Å; D429-L431 PolarHBondContact O-N 2.92Å; D429-R510 IonicContact OD1-NH2 2.68Å; D429-R510 PolarHBondContact OD1-NH2 2.95Å
430	T	81	Confident	87.5	Confident	11 Å²	11	37.9 Å²	37.9	7%	0.067	21%	0.207	C	C	.	.			trans	49	42.4	177.7	55	0	0	0	0	114.3	Y424 G426 A506	Y424-T430 PolarHBondContact O-N 3.46Å; Y424-T430 VanDerWaalsContact O-N 3.12Å; G426-T430 PolarHBondContact O-N 3.29Å; T430-A506 HydrophobicContact CG2-CB 3.26Å; T430-A506 VanDerWaalsContact OG1-CB 3.24Å; T430-A506 WeakPolarHBondContact OG1-CB 3.46Å
431	L	87.6	Confident	87.5	Confident	7 Å²	7	42.2 Å²	42.2	4%	0.037	24%	0.239	C	C	.	.			trans	-78.9	142.4	-178.6	-52.5	179.1	0	0	0	110.9	S233 K234 Y424 G425 D429 C433 M471 L472	S233-L431 WeakPolarHBondContact OG-CD2 3.49Å; K234-L431 HydrophobicContact CB-CD1 3.78Å; K234-L431 HydrophobicContact CD-CD1 4.12Å; K234-L431 HydrophobicContact CG-CD1 3.99Å; Y424-L431 HydrophobicContact CD2-CD1 4.05Å; Y424-L431 HydrophobicContact CG-CD1 4.11Å; Y424-L431 PolarHBondContact O-N 3.46Å; G425-L431 WeakPolarHBondContact CA-O 3.42Å; D429-L431 HydrophobicContact CB-CD1 4.24Å; D429-L431 HydrophobicContact CB-CD2 4.41Å; D429-L431 HydrophobicContact CB-CG 3.9Å; D429-L431 WeakPolarHBondContact O-CD2 3.48Å; D429-L431 PolarHBondContact O-N 2.92Å; L431-C433 PolarHBondContact O-N 3.25Å; L431-M471 CarbonylContact C-O 3.54Å; L431-M471 WeakPolarHBondContact CA-O 3.24Å; L431-L472 HydrophobicContact CD2-CB 3.88Å; L431-L472 HydrophobicContact CD2-CD2 3.3Å; L431-L472 HydrophobicContact CD2-CG 4.18Å
432	R	87.7	Confident	87.5	Confident	122 Å²	122	42.3 Å²	42.3	46%	0.46	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	107.3	161	-178.8	175.2	179.8	143.6	-5.5	109	M471	R432-M471 HydrophobicContact CB-CG 3.94Å; R432-M471 WeakPolarHBondContact CB-O 3.35Å; R432-M471 HydrophobicContact CG-CG 4.38Å; R432-M471 PolarHBondContact N-O 3.16Å; R432-M471 WeakPolarHBondContact O-CG 3.47Å; R432-M471 PolarHBondContact O-N 3.28Å
433	C	92.3	Very high	87.6	Confident	18 Å²	18	41 Å²	41	12%	0.122	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	136.8	177.8	-62.5	0	0	0	0	112.5	P390 V421 Y424 L431 V468 V469	P390-C433 WeakPolarHBondContact CD-O 3.43Å; P390-C433 HydrophobicContact CG-CB 3.85Å; V421-C433 HydrophobicContact CG1-CB 4.05Å; Y424-C433 VanDerWaalsContact CB-SG 3.52Å; L431-C433 PolarHBondContact O-N 3.25Å; C433-V468 HydrophobicContact CB-CG1 4.04Å; C433-V469 CarbonylContact C-O 3.35Å; C433-V469 VanDerWaalsContact CA-O 3.27Å; C433-V469 WeakPolarHBondContact CA-O 3.38Å
434	L	95.2	Very high	87.6	Confident	19 Å²	19	38.4 Å²	38.4	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	128.3	166.9	-77.3	174.5	0	0	0	109.5	T314 L318 G388 V468 V469 M471	T314-L434 HydrophobicContact CG2-CD1 3.72Å; L318-L434 HydrophobicContact CD1-CD1 4.3Å; G388-L434 WeakPolarHBondContact O-CA 3.36Å; G388-L434 WeakPolarHBondContact O-CD2 3.42Å; L434-V468 WeakPolarHBondContact O-CA 3.37Å; L434-V468 WeakPolarHBondContact O-CG1 3.48Å; L434-V469 HydrophobicContact CB-CG2 3.89Å; L434-V469 PolarHBondContact N-O 3.07Å; L434-V469 PolarHBondContact O-N 3.18Å; L434-M471 HydrophobicContact CD1-CE 3.76Å; L434-M471 HydrophobicContact CG-CE 4.45Å
435	A	96.6	Very high	87.4	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	139.4	169.1	0	0	0	0	0	109.9	K387 G388 P390 I393 L465 V468	K387-A435 WeakPolarHBondContact CA-O 3.46Å; G388-A435 PolarHBondContact N-O 3.34Å; G388-A435 VanDerWaalsContact N-O 3.12Å; G388-A435 PolarHBondContact O-N 3.05Å; P390-A435 HydrophobicContact CB-CB 4.26Å; P390-A435 HydrophobicContact CG-CB 4.41Å; I393-A435 HydrophobicContact CB-CB 4.03Å; I393-A435 HydrophobicContact CD1-CB 4.17Å; I393-A435 VanDerWaalsContact CD1-O 3.31Å; I393-A435 WeakPolarHBondContact CD1-O 3.31Å; I393-A435 HydrophobicContact CG2-CB 3.98Å; A435-L465 HydrophobicContact CB-CD1 4.01Å; A435-V468 HydrophobicContact CB-CG2 4.24Å
436	L	97.7	Very high	87.8	Confident	1 Å²	1	47.7 Å²	47.7	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	127.7	-179.5	-57.5	177.7	0	0	0	108.2	L286 I289 K387 V466 G467 V469	L286-L436 HydrophobicContact CD1-CD1 4.44Å; L286-L436 HydrophobicContact CD2-CD1 3.9Å; L286-L436 HydrophobicContact CG-CD1 3.75Å; I289-L436 HydrophobicContact CD1-CB 4.25Å; I289-L436 HydrophobicContact CG2-CB 4.03Å; I289-L436 HydrophobicContact CG2-CD2 3.93Å; I289-L436 HydrophobicContact CG2-CG 4.43Å; K387-L436 HydrophobicContact CB-CD2 3.5Å; K387-L436 VanDerWaalsContact CB-CD2 3.5Å; L436-V466 PolarHBondContact O-N 2.81Å; L436-G467 PolarHBondContact N-O 2.91Å; L436-G467 PolarHBondContact O-N 3.21Å; L436-V469 HydrophobicContact CD1-CG1 3.82Å; L436-V469 HydrophobicContact CD1-CG2 4.2Å
437	G	96.4	Very high	88.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	170.9	-178.7	0	0	0	0	0	112.4	V386 T464	V386-G437 PolarHBondContact N-O 3.01Å; V386-G437 PolarHBondContact O-N 3.11Å; G437-T464 CarbonylContact C-O 3.57Å; G437-T464 VanDerWaalsContact CA-O 3.23Å; G437-T464 WeakPolarHBondContact CA-O 3.32Å
438	T	96.9	Very high	89.3	Confident	0 Å²	0	47 Å²	47	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	148.6	177.1	-171	0	0	0	0	111	M384 T464 V466	M384-T438 CarbonylContact O-C 3.49Å; M384-T438 VanDerWaalsContact O-CA 3.23Å; M384-T438 WeakPolarHBondContact O-CA 3.49Å; M384-T438 PolarHBondContact O-OG1 2.82Å; T438-T464 PolarHBondContact N-O 3.48Å; T438-T464 PolarHBondContact O-N 2.87Å; T438-V466 HydrophobicContact CG2-CG2 4.23Å
439	I	96	Very high	90	Very high	8 Å²	8	45 Å²	45	4%	0.041	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	109	167.3	-53.5	171.9	0	0	0	105.6	M384 V386 S441 P442 Y459 I463	M384-I439 HydrophobicContact CB-CB 4.1Å; M384-I439 HydrophobicContact CB-CD1 4.14Å; M384-I439 HydrophobicContact CB-CG1 4.35Å; M384-I439 HydrophobicContact CE-CD1 4.28Å; M384-I439 PolarHBondContact N-O 3.17Å; M384-I439 VanDerWaalsContact N-O 3.14Å; M384-I439 PolarHBondContact O-N 3.47Å; M384-I439 HydrophobicContact SD-CD1 4.29Å; V386-I439 HydrophobicContact CG2-CD1 4.14Å; V386-I439 HydrophobicContact CG2-CG1 4.13Å; I439-S441 VanDerWaalsContact C-N 3.25Å; I439-S441 PolarHBondContact O-N 2.75Å; I439-P442 HydrophobicContact CG2-CB 4.35Å; I439-Y459 WeakPolarHBondContact CD1-O 3.46Å; I439-I463 HydrophobicContact CD1-CG1 4.44Å; I439-I463 HydrophobicContact CG1-CG1 4.1Å
440	D	91.9	Very high	90.3	Very high	31 Å²	31	47.3 Å²	47.3	17%	0.166	26%	0.256	C	S	.	.	S	Bend	trans	-71.1	-21.5	-173.1	-65.4	-55.4	0	0	0	113	K383 R401 K406 T464	K383-D440 IonicContact NZ-OD1 3.21Å; K383-D440 PolarHBondContact NZ-OD1 2.94Å; K383-D440 VanDerWaalsContact NZ-OD1 3.12Å; R401-D440 IonicContact CZ-OD1 3.62Å; R401-D440 IonicContact NH2-OD1 2.63Å; R401-D440 PolarHBondContact NH2-OD1 3.22Å; R401-D440 IonicContact NH2-OD2 3.31Å; R401-D440 PolarHBondContact NH2-OD2 3.21Å; K406-D440 IonicContact NZ-OD2 3.19Å; K406-D440 PolarHBondContact NZ-OD2 3.32Å; D440-T464 PolarHBondContact OD2-OG1 3.5Å
441	S	90.7	Very high	90.2	Very high	106 Å²	106	55.7 Å²	55.7	74%	0.741	29%	0.294	S	S	*	.	S	Bend	trans	-141.4	75.2	-178.8	-55.4	0	0	0	0	109.8	I439	I439-S441 VanDerWaalsContact C-N 3.25Å; I439-S441 PolarHBondContact O-N 2.75Å
442	P	91.7	Very high	89.8	Confident	24 Å²	24	57.9 Å²	57.9	16%	0.156	31%	0.306	C	S	.	.	P	Polyproline II helix	trans	-70.6	160.9	-179.4	32.4	-35.7	0	0	0	111.4	Y370 A382 M384 I439	Y370-P442 HydrophobicContact CD2-CB 4.21Å; Y370-P442 HydrophobicContact CD2-CG 4.21Å; Y370-P442 HydrophobicContact CE2-CB 3.79Å; Y370-P442 HydrophobicContact CE2-CG 3.56Å; A382-P442 HydrophobicContact CB-CG 4.34Å; A382-P442 WeakPolarHBondContact O-CD 3.44Å; M384-P442 HydrophobicContact CB-CB 4.4Å; M384-P442 HydrophobicContact CG-CB 3.66Å; M384-P442 HydrophobicContact CG-CG 4.21Å; M384-P442 HydrophobicContact SD-CB 3.61Å; I439-P442 HydrophobicContact CG2-CB 4.35Å
443	L	89.6	Confident	89.3	Confident	95 Å²	95	53.6 Å²	53.6	50%	0.497	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-60.9	154.4	172	-71.8	155.4	0	0	0	110.7	Y370 M448 Y459	Y370-L443 WeakPolarHBondContact CE2-O 3.24Å; L443-M448 HydrophobicContact CB-CE 3.65Å; L443-M448 HydrophobicContact CB-CG 4.46Å; L443-M448 WeakPolarHBondContact O-CE 3.5Å; L443-Y459 HydrophobicContact CD1-CD1 4.04Å
444	D	87.6	Confident	88.6	Confident	94 Å²	94	55.8 Å²	55.8	50%	0.503	31%	0.31	S	S	.	.	P	Polyproline II helix	trans	-60.5	134.5	171.7	-172	-49.8	0	0	0	109.6	K446 A447	D444-K446 PolarHBondContact O-N 2.97Å; D444-K446 WeakPolarHBondContact OD1-CB 3.25Å; D444-K446 PolarHBondContact OD1-N 3.14Å; D444-A447 WeakPolarHBondContact O-CB 3.45Å; D444-A447 PolarHBondContact O-N 2.88Å
445	P	85.7	Confident	88.1	Confident	41 Å²	41	59 Å²	59	27%	0.266	32%	0.323	S	S	.	.	G	3₁₀ helix	trans	-48.8	-32.7	176.6	-32.2	37.6	0	0	0	114.4	F356 Y370 A447 M448	F356-P445 HydrophobicContact CE1-CB 3.9Å; F356-P445 HydrophobicContact CE1-CG 4.03Å; F356-P445 HydrophobicContact CZ-CB 4.45Å; Y370-P445 HydrophobicContact CD1-CG 4.35Å; Y370-P445 HydrophobicContact CE1-CG 3.76Å; Y370-P445 HydrophobicContact CE2-CG 4.04Å; Y370-P445 WeakPolarHBondContact OH-CD 3.16Å; P445-A447 PolarHBondContact O-N 3.2Å; P445-M448 PolarHBondContact O-N 3.17Å; P445-M448 VanDerWaalsContact O-N 3.16Å
446	K	86.3	Confident	87.7	Confident	194 Å²	194	59.2 Å²	59.2	84%	0.843	33%	0.325	S	S	*	.	G	3₁₀ helix	trans	-68.3	-23	178.7	-65.1	174.2	-177.1	170.8	0	113.3	D444 M448	D444-K446 PolarHBondContact O-N 2.97Å; D444-K446 WeakPolarHBondContact OD1-CB 3.25Å; D444-K446 PolarHBondContact OD1-N 3.14Å; K446-M448 VanDerWaalsContact C-N 3.34Å
447	A	88.1	Confident	87.1	Confident	68 Å²	68	61 Å²	61	56%	0.562	34%	0.338	S	S	*	.	G	3₁₀ helix	trans	-87	-6.7	176.4	0	0	0	0	0	112.6	D444 P445	D444-A447 WeakPolarHBondContact O-CB 3.45Å; D444-A447 PolarHBondContact O-N 2.88Å; P445-A447 PolarHBondContact O-N 3.2Å
448	M	87.7	Confident	86.7	Confident	14 Å²	14	64.3 Å²	64.3	7%	0.069	36%	0.358	C	S	.	.			trans	-96.7	125.9	179.1	-61	-175.9	-172.5	0	0	110.8	F356 Y370 M384 L443 P445 K446 L450 Y459	F356-M448 HydrophobicContact CE2-SD 4.02Å; F356-M448 HydrophobicContact CZ-SD 3.71Å; Y370-M448 HydrophobicContact CD2-CE 4.19Å; Y370-M448 HydrophobicContact CE2-CE 4.26Å; M384-M448 HydrophobicContact SD-CE 3.83Å; L443-M448 HydrophobicContact CB-CE 3.65Å; L443-M448 HydrophobicContact CB-CG 4.46Å; L443-M448 WeakPolarHBondContact O-CE 3.5Å; P445-M448 PolarHBondContact O-N 3.17Å; P445-M448 VanDerWaalsContact O-N 3.16Å; K446-M448 VanDerWaalsContact C-N 3.34Å; M448-L450 HydrophobicContact CB-CD2 3.96Å; M448-L450 PolarHBondContact O-N 3.41Å; M448-Y459 HydrophobicContact CB-CD2 4.38Å; M448-Y459 HydrophobicContact CB-CE1 4.48Å; M448-Y459 HydrophobicContact CB-CE2 4Å; M448-Y459 HydrophobicContact CG-CD1 4.26Å; M448-Y459 HydrophobicContact CG-CD2 4.25Å; M448-Y459 HydrophobicContact CG-CE1 4.31Å; M448-Y459 HydrophobicContact CG-CE2 4.31Å; M448-Y459 HydrophobicContact CG-CG 4.26Å; M448-Y459 HydrophobicContact SD-CD2 4.32Å; M448-Y459 HydrophobicContact SD-CG 4.38Å
449	N	86	Confident	86.5	Confident	65 Å²	65	65.3 Å²	65.3	35%	0.348	36%	0.362	S	S	.	.			trans	-83.1	107.6	162.5	-175.5	-7.2	0	0	0	109.2	E451 K455 Y459	N449-E451 PolarHBondContact OD1-N 3.28Å; N449-K455 HydrophobicContact CB-CD 4.37Å; N449-Y459 PolarHBondContact N-OH 2.95Å; N449-Y459 PolarHBondContact O-OH 2.99Å
450	L	84.2	Confident	86.3	Confident	76 Å²	76	65 Å²	65	40%	0.398	36%	0.36	S	S	.	.	S	Bend	trans	-83	-14.4	-178.2	-56.6	-179.5	0	0	0	113.6	F356 L358 M448 F456	F356-L450 HydrophobicContact CB-CD1 4.47Å; F356-L450 HydrophobicContact CD1-CD1 4.13Å; F356-L450 HydrophobicContact CD2-CD1 4.27Å; F356-L450 HydrophobicContact CD2-CD2 3.79Å; F356-L450 HydrophobicContact CE1-CD1 4.47Å; F356-L450 HydrophobicContact CE2-CD2 3.6Å; F356-L450 HydrophobicContact CG-CD1 4.04Å; F356-L450 HydrophobicContact CG-CD2 4.39Å; F356-L450 HydrophobicContact CZ-CD2 4.05Å; L358-L450 HydrophobicContact CD2-CD2 3.85Å; M448-L450 HydrophobicContact CB-CD2 3.96Å; M448-L450 PolarHBondContact O-N 3.41Å; L450-F456 WeakPolarHBondContact O-CZ 3.47Å
451	E	78	Confident	86.2	Confident	186 Å²	186	68.2 Å²	68.2	87%	0.869	37%	0.374	S	S	*	.	S	Bend	trans	-81.8	-24.5	178.5	-61	-174.1	168.7	0	0	112.3	N449	N449-E451 PolarHBondContact OD1-N 3.28Å
452	D	78.9	Confident	86.4	Confident	53 Å²	53	68 Å²	68	28%	0.283	37%	0.365	S	S	.	.			trans	-100.1	94.1	-177.7	-175.7	2.2	0	0	0	111.7	S454 K455	D452-S454 VanDerWaalsContact CG-OG 3.25Å; D452-S454 PolarHBondContact O-N 3Å; D452-S454 VanDerWaalsContact O-N 3.14Å; D452-S454 VanDerWaalsContact OD1-CB 3.32Å; D452-S454 WeakPolarHBondContact OD1-CB 3.49Å; D452-S454 PolarHBondContact OD1-N 2.91Å; D452-S454 VanDerWaalsContact OD1-N 3.11Å; D452-S454 PolarHBondContact OD1-OG 2.81Å; D452-S454 PolarHBondContact OD2-OG 2.89Å; D452-K455 HydrophobicContact CB-CD 4.44Å; D452-K455 HydrophobicContact CB-CG 4.44Å; D452-K455 PolarHBondContact O-N 2.88Å; D452-K455 VanDerWaalsContact O-N 3.16Å; D452-K455 VanDerWaalsContact OD2-CE 3.3Å; D452-K455 WeakPolarHBondContact OD2-CE 3.23Å
453	S	77.7	Confident	86.5	Confident	32 Å²	32	66.9 Å²	66.9	22%	0.224	36%	0.357	C	S	.	.	G	3₁₀ helix	trans	-64.3	-15.2	-179.9	60.4	0	0	0	0	114.9	T40 K455 F456	T40-S453 WeakPolarHBondContact CG2-OG 3.4Å; S453-K455 VanDerWaalsContact C-N 3.27Å; S453-K455 PolarHBondContact O-N 3.29Å; S453-F456 PolarHBondContact O-N 3.02Å
454	S	77.8	Confident	86.9	Confident	64 Å²	64	62.4 Å²	62.4	45%	0.448	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-66.4	-32.4	175.1	73.8	0	0	0	0	111.9	D452 F456 S457	D452-S454 VanDerWaalsContact CG-OG 3.25Å; D452-S454 PolarHBondContact O-N 3Å; D452-S454 VanDerWaalsContact O-N 3.14Å; D452-S454 VanDerWaalsContact OD1-CB 3.32Å; D452-S454 WeakPolarHBondContact OD1-CB 3.49Å; D452-S454 PolarHBondContact OD1-N 2.91Å; D452-S454 VanDerWaalsContact OD1-N 3.11Å; D452-S454 PolarHBondContact OD1-OG 2.81Å; D452-S454 PolarHBondContact OD2-OG 2.89Å; S454-F456 VanDerWaalsContact C-N 3.33Å; S454-F456 PolarHBondContact O-N 2.84Å; S454-S457 PolarHBondContact O-OG 2.97Å; S454-S457 VanDerWaalsContact O-OG 3.12Å
455	K	84.5	Confident	87.3	Confident	86 Å²	86	58.1 Å²	58.1	37%	0.374	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-79	-11.2	179.7	-62.2	-173.8	-178.5	-171.2	0	114.2	N449 D452 S453 S457 T458 Y459	N449-K455 HydrophobicContact CB-CD 4.37Å; D452-K455 HydrophobicContact CB-CD 4.44Å; D452-K455 HydrophobicContact CB-CG 4.44Å; D452-K455 PolarHBondContact O-N 2.88Å; D452-K455 VanDerWaalsContact O-N 3.16Å; D452-K455 VanDerWaalsContact OD2-CE 3.3Å; D452-K455 WeakPolarHBondContact OD2-CE 3.23Å; S453-K455 VanDerWaalsContact C-N 3.27Å; S453-K455 PolarHBondContact O-N 3.29Å; K455-S457 PolarHBondContact O-N 3.46Å; K455-S457 VanDerWaalsContact O-N 3.15Å; K455-T458 PolarHBondContact O-N 3.33Å; K455-T458 PolarHBondContact O-OG1 3.29Å; K455-Y459 HydrophobicContact CB-CE1 4.29Å; K455-Y459 HydrophobicContact CB-CE2 3.92Å; K455-Y459 WeakPolarHBondContact CB-OH 3.45Å; K455-Y459 WeakPolarHBondContact CD-OH 3.41Å; K455-Y459 PolarHBondContact O-N 2.92Å
456	F	88.2	Confident	87.8	Confident	5 Å²	5	56.2 Å²	56.2	2%	0.022	30%	0.298	C	S	.	.	H	α-helix	trans	-60.3	-31.2	180	-63.8	-4.4	0	0	0	111.8	L358 E359 L450 S453 S454 T458 Y459 E460	L358-F456 HydrophobicContact CB-CD2 3.95Å; L358-F456 HydrophobicContact CB-CE2 4.31Å; L358-F456 HydrophobicContact CB-CG 4.13Å; L358-F456 HydrophobicContact CD1-CB 4.23Å; L358-F456 HydrophobicContact CD1-CD1 4.33Å; L358-F456 HydrophobicContact CD1-CG 4.25Å; L358-F456 HydrophobicContact CD2-CD1 3.88Å; L358-F456 HydrophobicContact CD2-CD2 4.49Å; L358-F456 HydrophobicContact CD2-CE1 3.82Å; L358-F456 HydrophobicContact CD2-CE2 4.42Å; L358-F456 HydrophobicContact CD2-CG 4.24Å; L358-F456 HydrophobicContact CD2-CZ 4.1Å; L358-F456 HydrophobicContact CG-CG 4.45Å; E359-F456 HydrophobicContact CG-CE2 4.06Å; L450-F456 WeakPolarHBondContact O-CZ 3.47Å; S453-F456 PolarHBondContact O-N 3.02Å; S454-F456 VanDerWaalsContact C-N 3.33Å; S454-F456 PolarHBondContact O-N 2.84Å; F456-T458 VanDerWaalsContact C-N 3.31Å; F456-T458 PolarHBondContact O-N 3.41Å; F456-Y459 HydrophobicContact CD1-CD2 4.12Å; F456-Y459 HydrophobicContact CD1-CE2 4.07Å; F456-Y459 PolarHBondContact O-N 3.41Å; F456-E460 WeakPolarHBondContact O-CG 3.34Å; F456-E460 PolarHBondContact O-N 3.29Å; F456-E460 VanDerWaalsContact O-N 3.16Å
457	S	84.9	Confident	88.3	Confident	40 Å²	40	47 Å²	47	28%	0.28	26%	0.259	S	S	.	.	H	α-helix	trans	-59.2	-39.2	174.2	60.7	0	0	0	0	113.1	S454 K455 E460	S454-S457 PolarHBondContact O-OG 2.97Å; S454-S457 VanDerWaalsContact O-OG 3.12Å; K455-S457 PolarHBondContact O-N 3.46Å; K455-S457 VanDerWaalsContact O-N 3.15Å; S457-E460 PolarHBondContact O-N 3.26Å
458	T	88.8	Confident	88.7	Confident	69 Å²	69	43.8 Å²	43.8	42%	0.423	23%	0.232	S	C	.	.	H	α-helix	trans	-76.9	-25.8	179.9	59.3	0	0	0	0	113.1	K455 F456 E460	K455-T458 PolarHBondContact O-N 3.33Å; K455-T458 PolarHBondContact O-OG1 3.29Å; F456-T458 VanDerWaalsContact C-N 3.31Å; F456-T458 PolarHBondContact O-N 3.41Å; T458-E460 VanDerWaalsContact C-N 3.29Å
459	Y	92.1	Very high	89.1	Confident	21 Å²	21	43.1 Å²	43.1	8%	0.082	23%	0.229	C	C	.	.	H	α-helix	trans	-77.9	-21.2	173.7	-50.7	-32.7	0	0	0	111.8	L358 I439 L443 M448 N449 K455 F456 E461	L358-Y459 HydrophobicContact CD1-CD2 4.03Å; I439-Y459 WeakPolarHBondContact CD1-O 3.46Å; L443-Y459 HydrophobicContact CD1-CD1 4.04Å; M448-Y459 HydrophobicContact CB-CD2 4.38Å; M448-Y459 HydrophobicContact CB-CE1 4.48Å; M448-Y459 HydrophobicContact CB-CE2 4Å; M448-Y459 HydrophobicContact CG-CD1 4.26Å; M448-Y459 HydrophobicContact CG-CD2 4.25Å; M448-Y459 HydrophobicContact CG-CE1 4.31Å; M448-Y459 HydrophobicContact CG-CE2 4.31Å; M448-Y459 HydrophobicContact CG-CG 4.26Å; M448-Y459 HydrophobicContact SD-CD2 4.32Å; M448-Y459 HydrophobicContact SD-CG 4.38Å; N449-Y459 PolarHBondContact N-OH 2.95Å; N449-Y459 PolarHBondContact O-OH 2.99Å; K455-Y459 HydrophobicContact CB-CE1 4.29Å; K455-Y459 HydrophobicContact CB-CE2 3.92Å; K455-Y459 WeakPolarHBondContact CB-OH 3.45Å; K455-Y459 WeakPolarHBondContact CD-OH 3.41Å; K455-Y459 PolarHBondContact O-N 2.92Å; F456-Y459 HydrophobicContact CD1-CD2 4.12Å; F456-Y459 HydrophobicContact CD1-CE2 4.07Å; F456-Y459 PolarHBondContact O-N 3.41Å; Y459-E461 VanDerWaalsContact C-N 3.34Å; Y459-E461 PolarHBondContact O-N 3.42Å
460	E	91.7	Very high	89.5	Confident	0 Å²	0	40 Å²	40	0%	0	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	-96.8	42.3	178.3	-68.8	-174.2	160.4	0	0	113.1	R364 S366 S368 M384 R396 F456 S457 T458 I463	R364-E460 IonicContact CZ-OE1 3.5Å; R364-E460 IonicContact CZ-OE2 3.05Å; R364-E460 IonicContact NE-OE2 3.28Å; R364-E460 IonicContact NH1-OE1 3.71Å; R364-E460 PolarHBondContact NH1-OE1 3.44Å; R364-E460 IonicContact NH1-OE2 2.74Å; R364-E460 PolarHBondContact NH1-OE2 3.07Å; R364-E460 IonicContact NH2-OE1 2.85Å; S366-E460 PolarHBondContact OG-OE2 3.09Å; S368-E460 WeakPolarHBondContact CB-OE1 3.21Å; S368-E460 PolarHBondContact N-OE1 3.47Å; S368-E460 PolarHBondContact OG-OE1 2.79Å; M384-E460 HydrophobicContact CE-CG 4.39Å; R396-E460 WeakPolarHBondContact CD-O 3.45Å; R396-E460 IonicContact CZ-OE2 2.95Å; R396-E460 VanDerWaalsContact NH1-CB 3.28Å; R396-E460 IonicContact NH1-OE2 3.6Å; R396-E460 PolarHBondContact NH1-OE2 2.94Å; R396-E460 IonicContact NH2-OE2 3.31Å; F456-E460 WeakPolarHBondContact O-CG 3.34Å; F456-E460 PolarHBondContact O-N 3.29Å; F456-E460 VanDerWaalsContact O-N 3.16Å; S457-E460 PolarHBondContact O-N 3.26Å; T458-E460 VanDerWaalsContact C-N 3.29Å; E460-I463 WeakPolarHBondContact O-CD1 3.48Å
461	E	90.4	Very high	89.8	Confident	100 Å²	100	36.4 Å²	36.4	47%	0.467	19%	0.194	S	C	.	.			trans	-101.7	163.8	173.6	-66.8	-177	-175.8	0	0	110.9	Y459 I463	Y459-E461 VanDerWaalsContact C-N 3.34Å; Y459-E461 PolarHBondContact O-N 3.42Å; E461-I463 PolarHBondContact O-N 3.21Å
462	N	93.6	Very high	90.3	Very high	102 Å²	102	28.3 Å²	28.3	55%	0.545	16%	0.156	S	C	.	.	S	Bend	trans	59.5	42	-179	-58.4	-50.9	0	0	0	114.3	R396 T398	R396-N462 PolarHBondContact O-N 2.83Å; T398-N462 WeakPolarHBondContact CG2-OD1 3.39Å
463	I	95.7	Very high	90.4	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.4	135.4	179.5	-56.6	173.5	0	0	0	109.8	V386 I393 R396 C397 T398 H399 I439 E460 E461	V386-I463 HydrophobicContact CG1-CD1 4.14Å; V386-I463 HydrophobicContact CG2-CD1 4.46Å; I393-I463 HydrophobicContact CG2-CD1 4.33Å; I393-I463 HydrophobicContact CG2-CG2 4.42Å; R396-I463 HydrophobicContact CB-CD1 3.93Å; R396-I463 HydrophobicContact CB-CG1 4.45Å; R396-I463 PolarHBondContact O-N 3.14Å; C397-I463 CarbonylContact C-O 3.55Å; C397-I463 WeakPolarHBondContact CA-O 3.31Å; T398-I463 PolarHBondContact N-O 2.92Å; H399-I463 PolarHBondContact N-O 3.33Å; I439-I463 HydrophobicContact CD1-CG1 4.44Å; I439-I463 HydrophobicContact CG1-CG1 4.1Å; E460-I463 WeakPolarHBondContact O-CD1 3.48Å; E461-I463 PolarHBondContact O-N 3.21Å
464	T	96.6	Very high	90.7	Very high	1 Å²	1	25.6 Å²	25.6	1%	0.006	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	109.8	162.5	-56.9	0	0	0	0	108	H399 R401 K406 G437 T438 D440	H399-T464 HydrophobicContact CB-CG2 4.08Å; H399-T464 WeakPolarHBondContact O-CA 3.36Å; R401-T464 HydrophobicContact CB-CG2 4.15Å; K406-T464 HydrophobicContact CB-CG2 4.08Å; G437-T464 CarbonylContact C-O 3.57Å; G437-T464 VanDerWaalsContact CA-O 3.23Å; G437-T464 WeakPolarHBondContact CA-O 3.32Å; T438-T464 PolarHBondContact N-O 3.48Å; T438-T464 PolarHBondContact O-N 2.87Å; D440-T464 PolarHBondContact OD2-OG1 3.5Å
465	L	96.6	Very high	90.9	Very high	3 Å²	3	23.9 Å²	23.9	2%	0.016	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	131.9	177.6	178.9	80	0	0	0	110.1	I393 L394 H399 V400 R401 M409 I417 A435	I393-L465 HydrophobicContact CG2-CD1 4.32Å; L394-L465 HydrophobicContact CD2-CD1 4.36Å; L394-L465 HydrophobicContact CD2-CD2 3.71Å; H399-L465 PolarHBondContact O-N 2.81Å; V400-L465 CarbonylContact C-O 3.54Å; V400-L465 WeakPolarHBondContact CA-O 3.42Å; V400-L465 HydrophobicContact CG2-CB 4.07Å; V400-L465 HydrophobicContact CG2-CD2 4.05Å; V400-L465 HydrophobicContact CG2-CG 4.42Å; R401-L465 WeakPolarHBondContact CB-O 3.45Å; R401-L465 PolarHBondContact N-O 2.85Å; M409-L465 HydrophobicContact CE-CB 4.12Å; M409-L465 HydrophobicContact CE-CD2 4.08Å; I417-L465 HydrophobicContact CD1-CD2 3.65Å; I417-L465 HydrophobicContact CG2-CD2 4.3Å; A435-L465 HydrophobicContact CB-CD1 4.01Å
466	V	96.2	Very high	90.8	Very high	1 Å²	1	22 Å²	22	1%	0.006	12%	0.118	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102	-43.6	179.4	177.8	0	0	0	0	111.4	A282 E285 L286 I289 R401 L436 T438	A282-V466 WeakPolarHBondContact O-CG1 3.45Å; E285-V466 HydrophobicContact CB-CG1 4.09Å; E285-V466 HydrophobicContact CG-CG1 4.36Å; E285-V466 HydrophobicContact CG-CG2 4.07Å; E285-V466 WeakPolarHBondContact OE2-CG2 3.46Å; L286-V466 HydrophobicContact CB-CG1 4.13Å; I289-V466 HydrophobicContact CD1-CB 3.91Å; I289-V466 HydrophobicContact CD1-CG1 4.34Å; I289-V466 HydrophobicContact CD1-CG2 3.68Å; R401-V466 HydrophobicContact CB-CG2 4.21Å; L436-V466 PolarHBondContact O-N 2.81Å; T438-V466 HydrophobicContact CG2-CG2 4.23Å
467	G	95.8	Very high	90.4	Very high	2 Å²	2	29.8 Å²	29.8	2%	0.021	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	179.8	-176.5	179.5	0	0	0	0	0	113	F236 L436	F236-G467 VanDerWaalsContact O-CA 3.24Å; F236-G467 WeakPolarHBondContact O-CA 3.45Å; L436-G467 PolarHBondContact N-O 2.91Å; L436-G467 PolarHBondContact O-N 3.21Å
468	V	96.8	Very high	90.5	Very high	0 Å²	0	30.9 Å²	30.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	138.5	177.5	176.9	0	0	0	0	109.2	M235 F236 V421 C433 L434 A435	M235-V468 CarbonylContact C-O 3.55Å; M235-V468 WeakPolarHBondContact CA-O 3.2Å; M235-V468 WeakPolarHBondContact CB-O 3.47Å; F236-V468 HydrophobicContact CD1-CB 4.03Å; F236-V468 HydrophobicContact CD2-CB 4.45Å; F236-V468 HydrophobicContact CE1-CB 3.48Å; F236-V468 VanDerWaalsContact CE1-CB 3.48Å; F236-V468 HydrophobicContact CE1-CG1 3.82Å; F236-V468 HydrophobicContact CE1-CG2 3.97Å; F236-V468 HydrophobicContact CE2-CB 3.94Å; F236-V468 HydrophobicContact CE2-CG2 3.76Å; F236-V468 HydrophobicContact CG-CB 4.5Å; F236-V468 HydrophobicContact CZ-CB 3.43Å; F236-V468 VanDerWaalsContact CZ-CB 3.43Å; F236-V468 HydrophobicContact CZ-CG1 4.09Å; F236-V468 HydrophobicContact CZ-CG2 3.37Å; F236-V468 PolarHBondContact N-O 2.94Å; F236-V468 PolarHBondContact O-N 2.72Å; V421-V468 HydrophobicContact CG2-CG1 4.18Å; V421-V468 HydrophobicContact CG2-CG2 4.28Å; C433-V468 HydrophobicContact CB-CG1 4.04Å; L434-V468 WeakPolarHBondContact O-CA 3.37Å; L434-V468 WeakPolarHBondContact O-CG1 3.48Å; A435-V468 HydrophobicContact CB-CG2 4.24Å
469	V	96.6	Very high	90.6	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	139.2	173.4	-62.5	0	0	0	0	109.7	V232 M235 L286 L318 L321 C433 L434 L436 M471	V232-V469 HydrophobicContact CG1-CB 4.18Å; M235-V469 HydrophobicContact CB-CB 4.43Å; M235-V469 HydrophobicContact CB-CG1 3.92Å; L286-V469 HydrophobicContact CD1-CG1 4.45Å; L286-V469 HydrophobicContact CD2-CG1 3.97Å; L318-V469 HydrophobicContact CD2-CG2 3.75Å; L321-V469 HydrophobicContact CD2-CG1 3.92Å; C433-V469 CarbonylContact C-O 3.35Å; C433-V469 VanDerWaalsContact CA-O 3.27Å; C433-V469 WeakPolarHBondContact CA-O 3.38Å; L434-V469 HydrophobicContact CB-CG2 3.89Å; L434-V469 PolarHBondContact N-O 3.07Å; L434-V469 PolarHBondContact O-N 3.18Å; L436-V469 HydrophobicContact CD1-CG1 3.82Å; L436-V469 HydrophobicContact CD1-CG2 4.2Å; V469-M471 HydrophobicContact CG2-CE 4.16Å
470	G	94	Very high	90.5	Very high	0 Å²	0	32.9 Å²	32.9	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	119.6	176.1	0	0	0	0	0	110.2	S233 K234	S233-G470 PolarHBondContact N-O 3.14Å; S233-G470 PolarHBondContact OG-O 3.34Å; K234-G470 PolarHBondContact N-O 2.94Å; K234-G470 WeakPolarHBondContact O-CA 3.26Å; K234-G470 PolarHBondContact O-N 3.42Å
471	M	91.6	Very high	90.5	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.3	149.9	-179.9	61.2	-169.7	72.4	0	0	111.6	M230 S231 V232 T314 A317 L318 L431 R432 L434 V469	M230-M471 HydrophobicContact CG-CB 4.13Å; M230-M471 HydrophobicContact CG-CG 3.94Å; M230-M471 HydrophobicContact CG-SD 3.73Å; M230-M471 HydrophobicContact SD-CB 4.1Å; M230-M471 HydrophobicContact SD-CG 3.76Å; M230-M471 HydrophobicContact SD-SD 4.22Å; S231-M471 CarbonylContact O-C 3.46Å; S231-M471 WeakPolarHBondContact O-CA 3.49Å; S231-M471 VanDerWaalsContact O-CB 3.3Å; S231-M471 WeakPolarHBondContact O-CB 3.39Å; V232-M471 HydrophobicContact CG2-CB 4.18Å; V232-M471 HydrophobicContact CG2-CE 4.18Å; T314-M471 HydrophobicContact CG2-CE 4.1Å; T314-M471 HydrophobicContact CG2-SD 3.46Å; T314-M471 WeakPolarHBondContact CG2-SD 3.5Å; A317-M471 HydrophobicContact CB-SD 4.19Å; L318-M471 HydrophobicContact CD2-CE 3.82Å; L318-M471 HydrophobicContact CG-CE 4.28Å; L431-M471 CarbonylContact C-O 3.54Å; L431-M471 WeakPolarHBondContact CA-O 3.24Å; R432-M471 HydrophobicContact CB-CG 3.94Å; R432-M471 WeakPolarHBondContact CB-O 3.35Å; R432-M471 HydrophobicContact CG-CG 4.38Å; R432-M471 PolarHBondContact N-O 3.16Å; R432-M471 WeakPolarHBondContact O-CG 3.47Å; R432-M471 PolarHBondContact O-N 3.28Å; L434-M471 HydrophobicContact CD1-CE 3.76Å; L434-M471 HydrophobicContact CG-CE 4.45Å; V469-M471 HydrophobicContact CG2-CE 4.16Å
472	L	87.1	Confident	90.7	Very high	16 Å²	16	34 Å²	34	8%	0.084	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139	169.8	170.4	76.8	135.7	0	0	0	110.4	M230 S231 S233 L431 P474	M230-L472 VanDerWaalsContact SD-C 3.54Å; S231-L472 PolarHBondContact N-O 3.16Å; S231-L472 PolarHBondContact O-N 2.88Å; S233-L472 WeakPolarHBondContact OG-CD2 3.48Å; L431-L472 HydrophobicContact CD2-CB 3.88Å; L431-L472 HydrophobicContact CD2-CD2 3.3Å; L431-L472 HydrophobicContact CD2-CG 4.18Å; L472-P474 HydrophobicContact CD1-CB 4.33Å; L472-P474 HydrophobicContact CG-CB 4.48Å; L472-P474 VanDerWaalsContact O-CD 3.29Å; L472-P474 WeakPolarHBondContact O-CD 3.44Å
473	D	82	Confident	90.6	Very high	14 Å²	14	29.1 Å²	29.1	8%	0.075	13%	0.134	C	C	.	.			trans	-88.5	99.2	162.8	176.3	26.8	0	0	0	108.4	K221 T226 N228 Q229	K221-D473 IonicContact NZ-OD2 2.89Å; K221-D473 PolarHBondContact NZ-OD2 3.43Å; T226-D473 VanDerWaalsContact CB-CG 3.44Å; T226-D473 WeakPolarHBondContact CB-OD1 3.49Å; T226-D473 WeakPolarHBondContact CB-OD2 2.95Å; T226-D473 VanDerWaalsContact OG1-CG 3.25Å; T226-D473 PolarHBondContact OG1-OD1 3.04Å; T226-D473 PolarHBondContact OG1-OD2 2.89Å; N228-D473 WeakPolarHBondContact CA-OD1 3.25Å; N228-D473 PolarHBondContact N-OD1 2.99Å; Q229-D473 PolarHBondContact N-OD1 3.42Å
474	P	82.8	Confident	90.5	Very high	14 Å²	14	34 Å²	34	9%	0.091	16%	0.157	C	C	.	.	P	Polyproline II helix	trans	-72.3	146	-167.7	30.3	-32.8	0	0	0	112.1	T226 T227 Q229 S260 L472	T226-P474 VanDerWaalsContact CA-O 3.3Å; T226-P474 WeakPolarHBondContact CA-O 3.4Å; T226-P474 WeakPolarHBondContact CB-O 3.37Å; T227-P474 PolarHBondContact N-O 3.27Å; Q229-P474 WeakPolarHBondContact O-CD 3.02Å; S260-P474 VanDerWaalsContact CB-CG 3.47Å; S260-P474 WeakPolarHBondContact O-CG 3.49Å; L472-P474 HydrophobicContact CD1-CB 4.33Å; L472-P474 HydrophobicContact CG-CB 4.48Å; L472-P474 VanDerWaalsContact O-CD 3.29Å; L472-P474 WeakPolarHBondContact O-CD 3.44Å
475	P	83.9	Confident	90.3	Very high	28 Å²	28	37.5 Å²	37.5	18%	0.182	17%	0.173	C	C	.	.	B	Isolated β-bridge	trans	-64.4	151.6	170.4	28.8	-33.5	0	0	0	110.5	L225 I511	L225-P475 WeakPolarHBondContact O-CA 3.32Å; P475-I511 HydrophobicContact CB-CG2 3.41Å; P475-I511 VanDerWaalsContact CB-CG2 3.41Å; P475-I511 HydrophobicContact CG-CG2 4.15Å
476	R	81.4	Confident	90.2	Very high	47 Å²	47	37.4 Å²	37.4	18%	0.177	17%	0.173	C	C	.	.	P	Polyproline II helix	trans	-68.3	145.7	168.7	-57.9	175.8	-178.4	-92.6	2.4	109.5	G223 T224 L225 T226 T227 E478 V479 D610	G223-R476 PolarHBondContact O-NH2 3.49Å; T224-R476 WeakPolarHBondContact O-CD 3.46Å; T224-R476 PolarHBondContact O-NE 3.3Å; L225-R476 PolarHBondContact O-N 3.36Å; T226-R476 PolarHBondContact O-NE 3.33Å; T227-R476 HydrophobicContact CG2-CG 4.09Å; R476-E478 VanDerWaalsContact C-N 3.33Å; R476-E478 HydrophobicContact CB-CG 4.48Å; R476-E478 PolarHBondContact O-N 3.12Å; R476-V479 HydrophobicContact CB-CG2 3.73Å; R476-V479 HydrophobicContact CG-CG2 4.46Å; R476-V479 PolarHBondContact O-N 2.95Å; R476-D610 PolarHBondContact NE-O 2.89Å; R476-D610 PolarHBondContact NH2-O 3.44Å
477	Q	80.6	Confident	90	Very high	168 Å²	168	41.8 Å²	41.8	79%	0.785	20%	0.196	S	C	*	.	H	α-helix	trans	-67.6	-38.8	-172	-67.5	-175.7	-7.8	0	0	111.5	V479	Q477-V479 VanDerWaalsContact C-N 3.31Å; Q477-V479 PolarHBondContact O-N 3.44Å
478	E	86.1	Confident	89.9	Confident	62 Å²	62	48 Å²	48	29%	0.29	22%	0.223	S	C	.	.	H	α-helix	trans	-72.5	-18.3	-178	60.8	-84.5	-165.1	0	0	114.2	R476 R480 Q481 S482 N611	R476-E478 VanDerWaalsContact C-N 3.33Å; R476-E478 HydrophobicContact CB-CG 4.48Å; R476-E478 PolarHBondContact O-N 3.12Å; E478-R480 VanDerWaalsContact C-N 3.31Å; E478-R480 PolarHBondContact O-N 2.85Å; E478-Q481 PolarHBondContact O-N 3.05Å; E478-S482 WeakPolarHBondContact O-CB 3.36Å; E478-S482 PolarHBondContact O-N 2.99Å; E478-S482 PolarHBondContact O-OG 2.81Å; E478-N611 WeakPolarHBondContact CG-OD1 2.91Å; E478-N611 PolarHBondContact OE1-ND2 3.48Å; E478-N611 PolarHBondContact OE1-OD1 3.4Å
479	V	90	Very high	89.7	Confident	0 Å²	0	48 Å²	48	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-63.4	-38.3	-178.1	167.2	0	0	0	0	111.3	L225 R476 Q477 S482 I483 I511 F612	L225-V479 HydrophobicContact CD2-CG1 3.72Å; L225-V479 HydrophobicContact CD2-CG2 4.41Å; R476-V479 HydrophobicContact CB-CG2 3.73Å; R476-V479 HydrophobicContact CG-CG2 4.46Å; R476-V479 PolarHBondContact O-N 2.95Å; Q477-V479 VanDerWaalsContact C-N 3.31Å; Q477-V479 PolarHBondContact O-N 3.44Å; V479-S482 WeakPolarHBondContact O-CB 3.18Å; V479-S482 PolarHBondContact O-N 3.39Å; V479-I483 HydrophobicContact CG1-CD1 3.77Å; V479-I483 HydrophobicContact CG1-CG1 4.3Å; V479-I483 WeakPolarHBondContact O-CG1 3.47Å; V479-I483 PolarHBondContact O-N 2.82Å; V479-I511 HydrophobicContact CG1-CB 4Å; V479-I511 HydrophobicContact CG1-CD1 4.3Å; V479-I511 HydrophobicContact CG1-CG2 4.08Å; V479-F612 HydrophobicContact CG2-CB 3.83Å; V479-F612 HydrophobicContact CG2-CG 4.45Å
480	R	90.2	Very high	89.5	Confident	132 Å²	132	49.5 Å²	49.5	50%	0.498	24%	0.238	S	C	.	.	H	α-helix	trans	-61.6	-50.1	-179.5	-178.6	177.5	179.9	137.3	-2.8	111.9	E478 S482 I483 E484 R510 I511	E478-R480 VanDerWaalsContact C-N 3.31Å; E478-R480 PolarHBondContact O-N 2.85Å; R480-S482 VanDerWaalsContact C-N 3.28Å; R480-S482 PolarHBondContact O-N 3.24Å; R480-I483 PolarHBondContact O-N 3.22Å; R480-E484 IonicContact NE-OE1 2.76Å; R480-E484 WeakPolarHBondContact O-CG 3.47Å; R480-E484 PolarHBondContact O-N 2.91Å; R480-E484 VanDerWaalsContact O-N 3.09Å; R480-R510 PolarHBondContact NH1-O 2.92Å; R480-I511 WeakPolarHBondContact CA-O 3.29Å
481	Q	92.3	Very high	89.6	Confident	119 Å²	119	49.6 Å²	49.6	56%	0.556	24%	0.238	S	C	*	.	H	α-helix	trans	-61.6	-40.8	176.8	-176.5	-177.5	-18	0	0	111	E478 I483 E484 E485	E478-Q481 PolarHBondContact O-N 3.05Å; Q481-I483 VanDerWaalsContact C-N 3.33Å; Q481-I483 PolarHBondContact O-N 3.47Å; Q481-E484 WeakPolarHBondContact O-CB 3.41Å; Q481-E484 PolarHBondContact O-N 3.5Å; Q481-E485 PolarHBondContact NE2-OE1 2.71Å; Q481-E485 WeakPolarHBondContact O-CG 3.44Å; Q481-E485 PolarHBondContact O-N 3.41Å
482	S	93.7	Very high	89.8	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.028	25%	0.247	C	C	.	.	H	α-helix	trans	-62.4	-38.9	178.5	-56.3	0	0	0	0	112.5	E478 V479 R480 E485 C486 S613	E478-S482 WeakPolarHBondContact O-CB 3.36Å; E478-S482 PolarHBondContact O-N 2.99Å; E478-S482 PolarHBondContact O-OG 2.81Å; V479-S482 WeakPolarHBondContact O-CB 3.18Å; V479-S482 PolarHBondContact O-N 3.39Å; R480-S482 VanDerWaalsContact C-N 3.28Å; R480-S482 PolarHBondContact O-N 3.24Å; S482-E485 PolarHBondContact O-N 2.93Å; S482-C486 PolarHBondContact O-N 2.96Å; S482-C486 PolarHBondContact O-SG 3.26Å; S482-S613 VanDerWaalsContact OG-CA 3.32Å; S482-S613 WeakPolarHBondContact OG-CA 3.47Å; S482-S613 VanDerWaalsContact OG-CB 3.31Å; S482-S613 WeakPolarHBondContact OG-CB 3.43Å
483	I	93.5	Very high	90.3	Very high	1 Å²	1	51.3 Å²	51.3	1%	0.005	24%	0.244	C	C	.	.	H	α-helix	trans	-67.3	-39.4	175.2	-71.2	173.8	0	0	0	110.9	V479 R480 Q481 C486 N487 V493 I511 F612	V479-I483 HydrophobicContact CG1-CD1 3.77Å; V479-I483 HydrophobicContact CG1-CG1 4.3Å; V479-I483 WeakPolarHBondContact O-CG1 3.47Å; V479-I483 PolarHBondContact O-N 2.82Å; R480-I483 PolarHBondContact O-N 3.22Å; Q481-I483 VanDerWaalsContact C-N 3.33Å; Q481-I483 PolarHBondContact O-N 3.47Å; I483-C486 PolarHBondContact O-N 3.42Å; I483-N487 WeakPolarHBondContact O-CB 3.33Å; I483-N487 VanDerWaalsContact O-CG 3.3Å; I483-N487 PolarHBondContact O-N 3.45Å; I483-N487 PolarHBondContact O-ND2 3.2Å; I483-V493 HydrophobicContact CG1-CG1 4.47Å; I483-V493 HydrophobicContact CG1-CG2 4.35Å; I483-I511 HydrophobicContact CD1-CB 3.96Å; I483-I511 HydrophobicContact CD1-CD1 3.58Å; I483-I511 HydrophobicContact CD1-CG1 3.65Å; I483-I511 WeakPolarHBondContact CD1-O 3.12Å; I483-F612 HydrophobicContact CG1-CE1 4.22Å
484	E	92.4	Very high	91	Very high	102 Å²	102	50.6 Å²	50.6	48%	0.477	24%	0.24	S	C	.	.	H	α-helix	trans	-61.8	-42.6	174	-70.5	172.8	-167	0	0	111.5	R480 Q481 N487 K488	R480-E484 IonicContact NE-OE1 2.76Å; R480-E484 WeakPolarHBondContact O-CG 3.47Å; R480-E484 PolarHBondContact O-N 2.91Å; R480-E484 VanDerWaalsContact O-N 3.09Å; Q481-E484 WeakPolarHBondContact O-CB 3.41Å; Q481-E484 PolarHBondContact O-N 3.5Å; E484-N487 PolarHBondContact O-N 3.33Å; E484-K488 PolarHBondContact O-N 2.83Å
485	E	92.8	Very high	91.5	Very high	75 Å²	75	50 Å²	50	35%	0.35	24%	0.236	S	C	.	.	H	α-helix	trans	-64.7	-42	174.8	-72.6	173.5	-166.6	0	0	112.2	Q481 S482 N487 K488 A489 V616	Q481-E485 PolarHBondContact NE2-OE1 2.71Å; Q481-E485 WeakPolarHBondContact O-CG 3.44Å; Q481-E485 PolarHBondContact O-N 3.41Å; S482-E485 PolarHBondContact O-N 2.93Å; E485-N487 PolarHBondContact O-N 3.19Å; E485-K488 PolarHBondContact O-N 3.02Å; E485-A489 WeakPolarHBondContact O-CB 3.4Å; E485-A489 PolarHBondContact O-N 3.21Å; E485-V616 HydrophobicContact CB-CG1 4.11Å
486	C	94.8	Very high	91.9	Very high	1 Å²	1	48.7 Å²	48.7	1%	0.007	23%	0.228	C	C	.	.	H	α-helix	trans	-57.8	-48.1	172.1	-74.4	0	0	0	0	111.6	S482 I483 K488 A489 G490 I491 V493	S482-C486 PolarHBondContact O-N 2.96Å; S482-C486 PolarHBondContact O-SG 3.26Å; I483-C486 PolarHBondContact O-N 3.42Å; C486-K488 VanDerWaalsContact C-N 3.32Å; C486-K488 PolarHBondContact O-N 3.23Å; C486-A489 CarbonylContact O-C 3.47Å; C486-A489 PolarHBondContact O-N 3.22Å; C486-A489 VanDerWaalsContact O-N 3.14Å; C486-G490 PolarHBondContact O-N 2.88Å; C486-I491 CarbonylContact C-O 3.6Å; C486-I491 HydrophobicContact CB-CB 4.1Å; C486-I491 WeakPolarHBondContact O-CB 3.34Å; C486-I491 PolarHBondContact O-N 3.47Å; C486-V493 HydrophobicContact CB-CG2 3.86Å
487	N	92.5	Very high	92.2	Very high	92 Å²	92	46.4 Å²	46.4	49%	0.492	22%	0.219	S	C	.	.	H	α-helix	trans	-61.6	-40.8	179.1	-74	-27	0	0	0	111.6	I483 E484 E485 A489 G490	I483-N487 WeakPolarHBondContact O-CB 3.33Å; I483-N487 VanDerWaalsContact O-CG 3.3Å; I483-N487 PolarHBondContact O-N 3.45Å; I483-N487 PolarHBondContact O-ND2 3.2Å; E484-N487 PolarHBondContact O-N 3.33Å; E485-N487 PolarHBondContact O-N 3.19Å; N487-A489 VanDerWaalsContact C-N 3.3Å; N487-A489 PolarHBondContact O-N 2.97Å; N487-G490 PolarHBondContact O-N 3.27Å; N487-G490 VanDerWaalsContact O-N 3.15Å
488	K	92.1	Very high	92	Very high	134 Å²	134	38.8 Å²	38.8	58%	0.583	19%	0.185	S	C	*	.	H	α-helix	trans	-62.1	-39.1	175.2	-163.6	-171.9	-173.3	-150.9	0	111.9	E484 E485 C486 G490 D690	E484-K488 PolarHBondContact O-N 2.83Å; E485-K488 PolarHBondContact O-N 3.02Å; C486-K488 VanDerWaalsContact C-N 3.32Å; C486-K488 PolarHBondContact O-N 3.23Å; K488-G490 PolarHBondContact O-N 3.34Å; K488-D690 WeakPolarHBondContact CD-OD1 3.49Å; K488-D690 WeakPolarHBondContact CE-OD1 3.36Å; K488-D690 VanDerWaalsContact NZ-CG 3.33Å; K488-D690 IonicContact NZ-OD1 2.72Å; K488-D690 PolarHBondContact NZ-OD1 2.93Å; K488-D690 IonicContact NZ-OD2 2.77Å; K488-D690 PolarHBondContact NZ-OD2 3.44Å
489	A	92.7	Very high	91.5	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	18%	0.179	C	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	4.1	177.1	0	0	0	0	0	114.4	E485 C486 N487 I491 R623 M689 R691 P693	E485-A489 WeakPolarHBondContact O-CB 3.4Å; E485-A489 PolarHBondContact O-N 3.21Å; C486-A489 CarbonylContact O-C 3.47Å; C486-A489 PolarHBondContact O-N 3.22Å; C486-A489 VanDerWaalsContact O-N 3.14Å; N487-A489 VanDerWaalsContact C-N 3.3Å; N487-A489 PolarHBondContact O-N 2.97Å; A489-I491 VanDerWaalsContact C-N 3.31Å; A489-I491 HydrophobicContact CB-CD1 4.08Å; A489-I491 HydrophobicContact CB-CG1 4.1Å; A489-I491 PolarHBondContact O-N 3.37Å; A489-R623 PolarHBondContact O-NH2 3.43Å; A489-M689 WeakPolarHBondContact CA-O 3.49Å; A489-M689 HydrophobicContact CB-CE 3.74Å; A489-M689 VanDerWaalsContact CB-O 3.29Å; A489-M689 WeakPolarHBondContact CB-O 3.4Å; A489-M689 HydrophobicContact CB-SD 4.36Å; A489-M689 PolarHBondContact N-O 3.39Å; A489-R691 CarbonylContact C-O 3.59Å; A489-P693 WeakPolarHBondContact O-CD 3.28Å
490	G	94	Very high	90.9	Very high	30 Å²	30	40.1 Å²	40.1	31%	0.309	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.6	21.5	-177.8	0	0	0	0	0	114.6	C486 N487 K488 P693	C486-G490 PolarHBondContact O-N 2.88Å; N487-G490 PolarHBondContact O-N 3.27Å; N487-G490 VanDerWaalsContact O-N 3.15Å; K488-G490 PolarHBondContact O-N 3.34Å; G490-P693 WeakPolarHBondContact O-CD 3.43Å; G490-P693 WeakPolarHBondContact O-CG 3.37Å
491	I	96.1	Very high	90.7	Very high	3 Å²	3	36 Å²	36	2%	0.015	18%	0.18	C	C	.	.	P	Polyproline II helix	trans	-98.6	121.2	-179.7	-52.9	176	0	0	0	108.9	T214 S215 I217 C486 A489 V619 P693	T214-I491 HydrophobicContact CG2-CG2 4.47Å; S215-I491 WeakPolarHBondContact O-CA 3.34Å; I217-I491 HydrophobicContact CD1-CG2 3.78Å; I217-I491 HydrophobicContact CG1-CG2 3.78Å; C486-I491 CarbonylContact C-O 3.6Å; C486-I491 HydrophobicContact CB-CB 4.1Å; C486-I491 WeakPolarHBondContact O-CB 3.34Å; C486-I491 PolarHBondContact O-N 3.47Å; A489-I491 VanDerWaalsContact C-N 3.31Å; A489-I491 HydrophobicContact CB-CD1 4.08Å; A489-I491 HydrophobicContact CB-CG1 4.1Å; A489-I491 PolarHBondContact O-N 3.37Å; I491-V619 HydrophobicContact CD1-CG1 3.69Å; I491-P693 HydrophobicContact CG1-CG 4.13Å
492	R	95.6	Very high	90.2	Very high	47 Å²	47	35.7 Å²	35.7	18%	0.177	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	128.2	179	-177.6	166.3	59.7	122.1	-4.6	110.6	S215 V216 I217 I494 C542 R543 A545 L563	S215-R492 PolarHBondContact O-N 3.32Å; V216-R492 CarbonylContact C-O 3.59Å; V216-R492 VanDerWaalsContact CA-O 3.25Å; V216-R492 WeakPolarHBondContact CA-O 3.44Å; V216-R492 HydrophobicContact CG2-CB 4.38Å; I217-R492 PolarHBondContact N-O 3.38Å; R492-I494 HydrophobicContact CG-CG1 4.4Å; R492-C542 PolarHBondContact NH1-O 3.15Å; R492-C542 PolarHBondContact NH2-O 3.39Å; R492-C542 VanDerWaalsContact NH2-O 3.14Å; R492-R543 VanDerWaalsContact CZ-O 3.23Å; R492-R543 VanDerWaalsContact NH1-C 3.27Å; R492-R543 PolarHBondContact NH1-O 2.81Å; R492-R543 PolarHBondContact NH2-O 2.77Å; R492-A545 PolarHBondContact NH1-O 2.84Å; R492-L563 VanDerWaalsContact NH2-CD2 3.28Å
493	V	96.2	Very high	89.5	Confident	4 Å²	4	36.7 Å²	36.7	2%	0.024	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	133.1	173.4	-175.3	0	0	0	0	109.5	I217 I483 C486 L513 F612	I217-V493 CarbonylContact O-C 3.6Å; I217-V493 WeakPolarHBondContact O-CA 3.26Å; I483-V493 HydrophobicContact CG1-CG1 4.47Å; I483-V493 HydrophobicContact CG1-CG2 4.35Å; C486-V493 HydrophobicContact CB-CG2 3.86Å; V493-L513 HydrophobicContact CB-CD1 4.24Å; V493-L513 HydrophobicContact CG1-CD1 4.34Å; V493-L513 VanDerWaalsContact O-CD1 3.23Å; V493-L513 WeakPolarHBondContact O-CD1 3.49Å; V493-F612 HydrophobicContact CG1-CZ 4.25Å; V493-F612 HydrophobicContact CG2-CZ 4.29Å
494	I	96.6	Very high	89.1	Confident	0 Å²	0	36.7 Å²	36.7	0%	0	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	119.1	175.3	-55.4	-178.2	0	0	0	108.2	V216 I217 C218 S219 R492 I496 R546 F548 L563	V216-I494 HydrophobicContact CG1-CD1 3.59Å; V216-I494 HydrophobicContact CG1-CG1 3.89Å; I217-I494 PolarHBondContact O-N 3.41Å; C218-I494 CarbonylContact C-O 3.56Å; C218-I494 WeakPolarHBondContact CA-O 3.21Å; S219-I494 PolarHBondContact N-O 3.36Å; R492-I494 HydrophobicContact CG-CG1 4.4Å; I494-I496 HydrophobicContact CG2-CG1 4.22Å; I494-R546 CarbonylContact C-O 3.58Å; I494-R546 VanDerWaalsContact CA-O 3.29Å; I494-R546 WeakPolarHBondContact CA-O 3.4Å; I494-F548 HydrophobicContact CG2-CD2 3.75Å; I494-F548 HydrophobicContact CG2-CE2 3.95Å; I494-L563 HydrophobicContact CD1-CD1 4.18Å; I494-L563 HydrophobicContact CD1-CD2 4.34Å
495	M	94.8	Very high	88.9	Confident	1 Å²	1	33.1 Å²	33.1	1%	0.005	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	132.3	172.3	-177.1	-172.1	-62.9	0	0	110	S219 K221 L225 I507 I511 L513 R546 L547 F548	S219-M495 WeakPolarHBondContact O-CA 3.32Å; K221-M495 HydrophobicContact CB-CG 4.19Å; K221-M495 HydrophobicContact CB-SD 4.16Å; K221-M495 HydrophobicContact CG-SD 4.12Å; L225-M495 HydrophobicContact CD1-CB 4.33Å; L225-M495 HydrophobicContact CD1-CE 3.75Å; L225-M495 HydrophobicContact CD1-CG 3.97Å; M495-I507 HydrophobicContact CE-CG2 3.91Å; M495-I511 HydrophobicContact CE-CD1 3.29Å; M495-I511 HydrophobicContact CE-CG1 4.31Å; M495-L513 HydrophobicContact CB-CD2 3.72Å; M495-L513 HydrophobicContact CE-CD2 4.2Å; M495-R546 PolarHBondContact N-O 2.73Å; M495-L547 HydrophobicContact CB-CD1 3.86Å; M495-L547 HydrophobicContact CG-CD1 3.89Å; M495-L547 CarbonylContact O-C 3.57Å; M495-L547 WeakPolarHBondContact O-CA 3.1Å; M495-L547 HydrophobicContact SD-CD1 3.8Å; M495-F548 PolarHBondContact O-N 3.34Å
496	I	92.6	Very high	88.5	Confident	0 Å²	0	29.8 Å²	29.8	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	123.8	176.8	-58.6	-174.4	0	0	0	107.3	C218 S219 D220 K221 I494 F548 V551 K556 I559 M572	C218-I496 HydrophobicContact CB-CD1 3.79Å; S219-I496 PolarHBondContact O-N 3.12Å; D220-I496 WeakPolarHBondContact CA-O 3.48Å; K221-I496 PolarHBondContact N-O 3.37Å; I494-I496 HydrophobicContact CG2-CG1 4.22Å; I496-F548 CarbonylContact C-O 3.6Å; I496-F548 WeakPolarHBondContact CA-O 3.38Å; I496-F548 HydrophobicContact CG1-CD2 4.48Å; I496-V551 HydrophobicContact CG2-CB 4.4Å; I496-V551 HydrophobicContact CG2-CG2 3.6Å; I496-K556 HydrophobicContact CG2-CD 4.09Å; I496-K556 HydrophobicContact CG2-CG 3.85Å; I496-I559 HydrophobicContact CD1-CD1 4.11Å; I496-I559 HydrophobicContact CD1-CG2 4.3Å; I496-M572 HydrophobicContact CD1-CE 4.18Å; I496-M572 HydrophobicContact CD1-SD 4.13Å
497	T	86.3	Confident	88	Confident	0 Å²	0	30 Å²	30	0%	0	16%	0.158	C	C	.	.			trans	-149.8	149.5	-172.7	-173.6	0	0	0	0	114.7	D499 A504 L547 F548 A549 R550 V551	T497-D499 VanDerWaalsContact C-N 3.26Å; T497-D499 HydrophobicContact CG2-CB 4.12Å; T497-D499 PolarHBondContact OG1-N 3.24Å; T497-A504 HydrophobicContact CG2-CB 3.54Å; T497-L547 HydrophobicContact CG2-CD1 4.26Å; T497-F548 PolarHBondContact N-O 2.82Å; T497-A549 HydrophobicContact CG2-CB 4.31Å; T497-A549 CarbonylContact O-C 3.53Å; T497-A549 VanDerWaalsContact O-C 3.29Å; T497-A549 WeakPolarHBondContact O-CA 3.44Å; T497-R550 PolarHBondContact O-N 3.33Å; T497-V551 WeakPolarHBondContact O-CG2 3.23Å; T497-V551 PolarHBondContact O-N 2.97Å
498	G	77.1	Confident	87.9	Confident	7 Å²	7	25.6 Å²	25.6	7%	0.072	14%	0.135	C	C	.	.	S	Bend	trans	-74.6	-10.6	169.5	0	0	0	0	0	114.3	R550	G498-R550 WeakPolarHBondContact O-CD 3.33Å
499	D	76	Confident	87.8	Confident	31 Å²	31	21.9 Å²	21.9	17%	0.166	12%	0.117	C	C	.	.	S	Bend	trans	-67.8	163.8	179.9	-93.9	-28.1	0	0	0	112.8	K221 T497 R550	K221-D499 VanDerWaalsContact CE-OD2 3.27Å; K221-D499 WeakPolarHBondContact CE-OD2 3.5Å; K221-D499 IonicContact NZ-OD2 2.55Å; K221-D499 PolarHBondContact NZ-OD2 3.41Å; T497-D499 VanDerWaalsContact C-N 3.26Å; T497-D499 HydrophobicContact CG2-CB 4.12Å; T497-D499 PolarHBondContact OG1-N 3.24Å; D499-R550 WeakPolarHBondContact O-CG 3.34Å; D499-R550 PolarHBondContact O-N 2.9Å
500	N	77.6	Confident	87.4	Confident	59 Å²	59	25.4 Å²	25.4	32%	0.316	13%	0.13	S	C	.	.			trans	-65.9	148.6	170	58.8	-33	0	0	0	111.4	N502 T503 A504	N500-N502 VanDerWaalsContact C-N 3.33Å; N500-N502 PolarHBondContact O-N 3.47Å; N500-T503 PolarHBondContact ND2-OG1 3.01Å; N500-T503 PolarHBondContact O-N 2.76Å; N500-T503 WeakPolarHBondContact OD1-CB 3.24Å; N500-T503 PolarHBondContact OD1-OG1 3.28Å; N500-A504 PolarHBondContact O-N 2.87Å
501	K	84.2	Confident	87.3	Confident	45 Å²	45	24.1 Å²	24.1	20%	0.196	12%	0.116	C	C	.	.	H	α-helix	trans	-48.2	-50.8	-178.2	-165.6	177.8	-170.9	164.2	0	113.1	T503 A504 E505 S524 T526 E529 A549	K501-T503 PolarHBondContact O-N 3.25Å; K501-A504 PolarHBondContact O-N 2.88Å; K501-E505 WeakPolarHBondContact CE-OE1 3.47Å; K501-E505 HydrophobicContact CG-CG 4.47Å; K501-E505 WeakPolarHBondContact O-CG 3.38Å; K501-E505 PolarHBondContact O-N 3.48Å; K501-S524 WeakPolarHBondContact CE-O 3.48Å; K501-S524 WeakPolarHBondContact CE-OG 3.09Å; K501-S524 PolarHBondContact NZ-O 3.35Å; K501-T526 HydrophobicContact CB-CG2 3.98Å; K501-T526 HydrophobicContact CD-CG2 4.01Å; K501-T526 HydrophobicContact CG-CG2 4.36Å; K501-E529 IonicContact NZ-OE1 2.76Å; K501-E529 PolarHBondContact NZ-OE1 2.95Å; K501-E529 IonicContact NZ-OE2 3.74Å; K501-E529 PolarHBondContact NZ-OE2 3.36Å; K501-A549 HydrophobicContact CB-CB 4.2Å
502	N	82.4	Confident	87	Confident	113 Å²	113	25 Å²	25	60%	0.604	13%	0.126	S	C	*	.	H	α-helix	trans	-61.3	-43.2	-175.9	-60	-1.2	0	0	0	113.1	N500 E505 A506	N500-N502 VanDerWaalsContact C-N 3.33Å; N500-N502 PolarHBondContact O-N 3.47Å; N502-E505 PolarHBondContact O-N 2.99Å; N502-A506 PolarHBondContact O-N 3.15Å; N502-A506 VanDerWaalsContact O-N 3.09Å
503	T	78.8	Confident	86.8	Confident	26 Å²	26	23.1 Å²	23.1	16%	0.16	12%	0.12	C	C	.	.	H	α-helix	trans	-67.9	-41.8	177.7	-58	0	0	0	0	110.6	N500 K501 E505 A506 I507	N500-T503 PolarHBondContact ND2-OG1 3.01Å; N500-T503 PolarHBondContact O-N 2.76Å; N500-T503 WeakPolarHBondContact OD1-CB 3.24Å; N500-T503 PolarHBondContact OD1-OG1 3.28Å; K501-T503 PolarHBondContact O-N 3.25Å; T503-E505 PolarHBondContact O-N 3.18Å; T503-A506 PolarHBondContact O-N 3.21Å; T503-I507 HydrophobicContact CG2-CD1 4.09Å; T503-I507 WeakPolarHBondContact O-CG1 3.41Å; T503-I507 PolarHBondContact O-N 2.55Å
504	A	84.7	Confident	86.6	Confident	0 Å²	0	23.1 Å²	23.1	0%	0	12%	0.119	C	C	.	.	H	α-helix	trans	-63.3	-40.4	177.6	0	0	0	0	0	112.3	T497 N500 K501 I507 G508 L547 A549	T497-A504 HydrophobicContact CG2-CB 3.54Å; N500-A504 PolarHBondContact O-N 2.87Å; K501-A504 PolarHBondContact O-N 2.88Å; A504-I507 PolarHBondContact O-N 2.99Å; A504-G508 PolarHBondContact O-N 3.31Å; A504-L547 HydrophobicContact CB-CD1 3.72Å; A504-L547 HydrophobicContact CB-CD2 3.77Å; A504-L547 HydrophobicContact CB-CG 4.3Å; A504-A549 HydrophobicContact CB-CB 4.17Å
505	E	88.4	Confident	86.2	Confident	28 Å²	28	30.2 Å²	30.2	13%	0.131	15%	0.152	C	C	.	.	H	α-helix	trans	-63.3	-43.1	174.2	-75.2	-179.2	170.8	0	0	112.3	K501 N502 T503 G508 R509 T520 S524 L547	K501-E505 WeakPolarHBondContact CE-OE1 3.47Å; K501-E505 HydrophobicContact CG-CG 4.47Å; K501-E505 WeakPolarHBondContact O-CG 3.38Å; K501-E505 PolarHBondContact O-N 3.48Å; N502-E505 PolarHBondContact O-N 2.99Å; T503-E505 PolarHBondContact O-N 3.18Å; E505-G508 WeakPolarHBondContact O-CA 3.2Å; E505-G508 PolarHBondContact O-N 2.93Å; E505-R509 WeakPolarHBondContact O-CG 3.25Å; E505-R509 PolarHBondContact O-N 3.19Å; E505-T520 HydrophobicContact CG-CG2 4.49Å; E505-T520 PolarHBondContact OE1-OG1 2.99Å; E505-S524 WeakPolarHBondContact OE1-CB 3.13Å; E505-S524 PolarHBondContact OE1-OG 3.02Å; E505-L547 HydrophobicContact CB-CD2 4.3Å; E505-L547 HydrophobicContact CG-CD2 3.54Å
506	A	84.5	Confident	85.7	Confident	5 Å²	5	35.9 Å²	35.9	4%	0.041	18%	0.179	C	C	.	.	H	α-helix	trans	-65.4	-41.1	178.4	0	0	0	0	0	112.4	T430 N502 T503 G508 R509 R510	T430-A506 HydrophobicContact CG2-CB 3.26Å; T430-A506 VanDerWaalsContact OG1-CB 3.24Å; T430-A506 WeakPolarHBondContact OG1-CB 3.46Å; N502-A506 PolarHBondContact O-N 3.15Å; N502-A506 VanDerWaalsContact O-N 3.09Å; T503-A506 PolarHBondContact O-N 3.21Å; A506-G508 VanDerWaalsContact C-N 3.34Å; A506-R509 PolarHBondContact O-N 3.25Å; A506-R510 WeakPolarHBondContact O-CG 3.24Å; A506-R510 PolarHBondContact O-N 3.03Å; A506-R510 VanDerWaalsContact O-N 3.11Å
507	I	85.7	Confident	85.3	Confident	5 Å²	5	42.9 Å²	42.9	3%	0.026	22%	0.216	C	C	.	.	H	α-helix	trans	-63.5	-43.7	172.2	-65.3	174.7	0	0	0	109.9	K221 T226 M495 T503 A504 R509 R510 I511	K221-I507 HydrophobicContact CD-CD1 3.66Å; K221-I507 HydrophobicContact CG-CD1 4.45Å; T226-I507 HydrophobicContact CG2-CG2 4.49Å; M495-I507 HydrophobicContact CE-CG2 3.91Å; T503-I507 HydrophobicContact CG2-CD1 4.09Å; T503-I507 WeakPolarHBondContact O-CG1 3.41Å; T503-I507 PolarHBondContact O-N 2.55Å; A504-I507 PolarHBondContact O-N 2.99Å; I507-R509 VanDerWaalsContact C-N 3.31Å; I507-R509 PolarHBondContact O-N 2.73Å; I507-R510 WeakPolarHBondContact O-CB 3.49Å; I507-R510 PolarHBondContact O-N 3.07Å; I507-I511 HydrophobicContact CG2-CG2 4.39Å; I507-I511 WeakPolarHBondContact O-CG1 2.96Å; I507-I511 PolarHBondContact O-N 3.42Å
508	G	89.8	Confident	85.4	Confident	0 Å²	0	44.8 Å²	44.8	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-53.1	-45.5	174.7	0	0	0	0	0	112.8	A504 E505 A506 R510 I511 G512 L513 F514	A504-G508 PolarHBondContact O-N 3.31Å; E505-G508 WeakPolarHBondContact O-CA 3.2Å; E505-G508 PolarHBondContact O-N 2.93Å; A506-G508 VanDerWaalsContact C-N 3.34Å; G508-R510 PolarHBondContact O-N 2.97Å; G508-I511 WeakPolarHBondContact O-CG1 3.37Å; G508-I511 PolarHBondContact O-N 3.1Å; G508-G512 PolarHBondContact O-N 2.93Å; G508-L513 VanDerWaalsContact O-CB 3.26Å; G508-L513 WeakPolarHBondContact O-CB 3.3Å; G508-L513 PolarHBondContact O-N 2.96Å; G508-F514 PolarHBondContact O-N 3.41Å
509	R	89.3	Confident	85.9	Confident	56 Å²	56	49.8 Å²	49.8	21%	0.211	25%	0.25	C	S	.	.	H	α-helix	trans	-64.4	-39.4	175.5	-69.1	179.8	-165.2	-76.6	3.9	112.6	E505 A506 I507 G512 F514 E515 E516 E518	E505-R509 WeakPolarHBondContact O-CG 3.25Å; E505-R509 PolarHBondContact O-N 3.19Å; A506-R509 PolarHBondContact O-N 3.25Å; I507-R509 VanDerWaalsContact C-N 3.31Å; I507-R509 PolarHBondContact O-N 2.73Å; R509-G512 PolarHBondContact O-N 3.28Å; R509-F514 HydrophobicContact CG-CB 3.87Å; R509-E515 PolarHBondContact NH1-O 2.94Å; R509-E516 PolarHBondContact NH1-O 3.39Å; R509-E518 VanDerWaalsContact CZ-O 3.31Å; R509-E518 PolarHBondContact NH1-O 3.48Å; R509-E518 PolarHBondContact NH2-O 2.63Å
510	R	85.9	Confident	86.5	Confident	74 Å²	74	49 Å²	49	28%	0.279	25%	0.247	S	C	.	.	H	α-helix	trans	-66.3	-38.1	-179.8	-75.2	175.6	171.9	-153.2	-9.8	112.8	K428 D429 R480 A506 I507 G508 G512	K428-R510 PolarHBondContact O-NE 3.08Å; K428-R510 PolarHBondContact O-NH2 2.71Å; D429-R510 IonicContact OD1-NH2 2.68Å; D429-R510 PolarHBondContact OD1-NH2 2.95Å; R480-R510 PolarHBondContact NH1-O 2.92Å; A506-R510 WeakPolarHBondContact O-CG 3.24Å; A506-R510 PolarHBondContact O-N 3.03Å; A506-R510 VanDerWaalsContact O-N 3.11Å; I507-R510 WeakPolarHBondContact O-CB 3.49Å; I507-R510 PolarHBondContact O-N 3.07Å; G508-R510 PolarHBondContact O-N 2.97Å; R510-G512 VanDerWaalsContact C-N 3.34Å
511	I	90.1	Very high	86.8	Confident	2 Å²	2	53.3 Å²	53.3	1%	0.01	27%	0.265	C	S	.	.	H	α-helix	trans	-86.7	-1.5	-179.7	70.7	177.6	0	0	0	113.8	L225 P475 V479 R480 I483 M495 I507 G508 L513	L225-I511 HydrophobicContact CD1-CD1 3.93Å; P475-I511 HydrophobicContact CB-CG2 3.41Å; P475-I511 VanDerWaalsContact CB-CG2 3.41Å; P475-I511 HydrophobicContact CG-CG2 4.15Å; V479-I511 HydrophobicContact CG1-CB 4Å; V479-I511 HydrophobicContact CG1-CD1 4.3Å; V479-I511 HydrophobicContact CG1-CG2 4.08Å; R480-I511 WeakPolarHBondContact CA-O 3.29Å; I483-I511 HydrophobicContact CD1-CB 3.96Å; I483-I511 HydrophobicContact CD1-CD1 3.58Å; I483-I511 HydrophobicContact CD1-CG1 3.65Å; I483-I511 WeakPolarHBondContact CD1-O 3.12Å; M495-I511 HydrophobicContact CE-CD1 3.29Å; M495-I511 HydrophobicContact CE-CG1 4.31Å; I507-I511 HydrophobicContact CG2-CG2 4.39Å; I507-I511 WeakPolarHBondContact O-CG1 2.96Å; I507-I511 PolarHBondContact O-N 3.42Å; G508-I511 WeakPolarHBondContact O-CG1 3.37Å; G508-I511 PolarHBondContact O-N 3.1Å; I511-L513 HydrophobicContact CD1-CB 4.46Å; I511-L513 HydrophobicContact CG1-CB 4.11Å
512	G	90.3	Very high	86.9	Confident	23 Å²	23	55.4 Å²	55.4	24%	0.237	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	83.1	16.6	179.3	0	0	0	0	0	115	G508 R509 R510 F514	G508-G512 PolarHBondContact O-N 2.93Å; R509-G512 PolarHBondContact O-N 3.28Å; R510-G512 VanDerWaalsContact C-N 3.34Å; G512-F514 VanDerWaalsContact C-N 3.34Å
513	L	92	Very high	87.4	Confident	7 Å²	7	51.3 Å²	51.3	4%	0.037	26%	0.256	C	S	.	.	S	Bend	trans	-70.3	-35.2	171.6	-172.9	69.8	0	0	0	111.8	V493 M495 G508 I511 R546	V493-L513 HydrophobicContact CB-CD1 4.24Å; V493-L513 HydrophobicContact CG1-CD1 4.34Å; V493-L513 VanDerWaalsContact O-CD1 3.23Å; V493-L513 WeakPolarHBondContact O-CD1 3.49Å; M495-L513 HydrophobicContact CB-CD2 3.72Å; M495-L513 HydrophobicContact CE-CD2 4.2Å; G508-L513 VanDerWaalsContact O-CB 3.26Å; G508-L513 WeakPolarHBondContact O-CB 3.3Å; G508-L513 PolarHBondContact O-N 2.96Å; I511-L513 HydrophobicContact CD1-CB 4.46Å; I511-L513 HydrophobicContact CG1-CB 4.11Å; L513-R546 HydrophobicContact CD1-CB 4Å; L513-R546 HydrophobicContact CD2-CB 4.4Å; L513-R546 WeakPolarHBondContact CD2-O 3.28Å; L513-R546 HydrophobicContact CG-CB 4.02Å; L513-R546 VanDerWaalsContact O-CD 3.3Å; L513-R546 WeakPolarHBondContact O-CD 3.14Å; L513-R546 PolarHBondContact O-NH1 2.92Å
514	F	92.3	Very high	88.1	Confident	3 Å²	3	50.1 Å²	50.1	1%	0.013	25%	0.249	C	C	.	.	S	Bend	trans	-125.2	147.2	173.4	-60.1	-61.5	0	0	0	109.4	G508 R509 G512 E518 T520 L523 R546 L547	G508-F514 PolarHBondContact O-N 3.41Å; R509-F514 HydrophobicContact CG-CB 3.87Å; G512-F514 VanDerWaalsContact C-N 3.34Å; F514-E518 VanDerWaalsContact CA-OE2 3.25Å; F514-E518 WeakPolarHBondContact CA-OE2 3.39Å; F514-T520 HydrophobicContact CD1-CG2 4Å; F514-T520 HydrophobicContact CD2-CG2 4.04Å; F514-T520 HydrophobicContact CE1-CG2 4.1Å; F514-T520 HydrophobicContact CE2-CG2 4.15Å; F514-T520 HydrophobicContact CG-CG2 3.97Å; F514-T520 HydrophobicContact CZ-CG2 4.18Å; F514-L523 HydrophobicContact CE1-CB 3.87Å; F514-L523 HydrophobicContact CE1-CD1 4.29Å; F514-L523 HydrophobicContact CZ-CB 4.46Å; F514-R546 HydrophobicContact CE1-CB 3.75Å; F514-R546 HydrophobicContact CE1-CG 4.29Å; F514-R546 HydrophobicContact CZ-CB 3.9Å; F514-L547 HydrophobicContact CE2-CB 3.89Å; F514-L547 HydrophobicContact CE2-CD2 4.04Å; F514-L547 HydrophobicContact CZ-CB 3.75Å
515	E	88.4	Confident	88.6	Confident	149 Å²	149	51 Å²	51	70%	0.696	25%	0.253	S	S	*	.			trans	-67.7	162	168.6	-52	-173.5	164.6	0	0	110.5	R509 N517 E518	R509-E515 PolarHBondContact NH1-O 2.94Å; E515-N517 PolarHBondContact O-N 2.69Å; E515-N517 VanDerWaalsContact O-N 3.12Å; E515-E518 HydrophobicContact CB-CB 4.01Å; E515-E518 PolarHBondContact N-OE2 2.8Å; E515-E518 PolarHBondContact O-N 3.02Å
516	E	82.6	Confident	88.6	Confident	120 Å²	120	50.9 Å²	50.9	56%	0.561	25%	0.254	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58	-33.9	-173.4	-71.4	-155	132.7	0	0	114.2	K428 R509	K428-E516 IonicContact NZ-OE1 3.45Å; K428-E516 PolarHBondContact NZ-OE1 3.03Å; K428-E516 IonicContact NZ-OE2 3.99Å; K428-E516 PolarHBondContact NZ-OE2 3.1Å; R509-E516 PolarHBondContact NH1-O 3.39Å
517	N	85	Confident	88.8	Confident	147 Å²	147	50.6 Å²	50.6	79%	0.786	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120	12.7	-176.1	-58	-39.1	0	0	0	112.8	E515 D519	E515-N517 PolarHBondContact O-N 2.69Å; E515-N517 VanDerWaalsContact O-N 3.12Å; N517-D519 PolarHBondContact O-N 3.37Å
518	E	88.3	Confident	88.7	Confident	41 Å²	41	56.9 Å²	56.9	19%	0.192	28%	0.275	C	S	.	.			trans	-63	133.7	177.4	-172.7	175.2	-167.4	0	0	109.9	R509 F514 E515 T520 L523 R546	R509-E518 VanDerWaalsContact CZ-O 3.31Å; R509-E518 PolarHBondContact NH1-O 3.48Å; R509-E518 PolarHBondContact NH2-O 2.63Å; F514-E518 VanDerWaalsContact CA-OE2 3.25Å; F514-E518 WeakPolarHBondContact CA-OE2 3.39Å; E515-E518 HydrophobicContact CB-CB 4.01Å; E515-E518 PolarHBondContact N-OE2 2.8Å; E515-E518 PolarHBondContact O-N 3.02Å; E518-T520 PolarHBondContact O-N 3.31Å; E518-L523 HydrophobicContact CG-CD1 4.44Å; E518-R546 IonicContact OE1-CZ 3.79Å; E518-R546 IonicContact OE1-NH1 2.75Å; E518-R546 PolarHBondContact OE1-NH1 3.08Å; E518-R546 IonicContact OE1-NH2 2.74Å; E518-R546 PolarHBondContact OE1-NH2 2.85Å; E518-R546 IonicContact OE2-NH1 3.8Å; E518-R546 PolarHBondContact OE2-NH1 3.41Å
519	D	88.5	Confident	88.8	Confident	111 Å²	111	60.8 Å²	60.8	59%	0.594	29%	0.293	S	S	*	.			trans	-69.9	124.1	171.6	-172.7	6.1	0	0	0	109.3	N517 Q521	N517-D519 PolarHBondContact O-N 3.37Å; D519-Q521 VanDerWaalsContact C-N 3.35Å; D519-Q521 PolarHBondContact OD1-N 3.33Å; D519-Q521 VanDerWaalsContact OD1-N 3.08Å
520	T	87.7	Confident	89	Confident	15 Å²	15	58.1 Å²	58.1	9%	0.092	28%	0.283	C	S	.	.			trans	-92.6	2.8	-178	52.4	0	0	0	0	112.7	E505 F514 E518 D522 L523 S524	E505-T520 HydrophobicContact CG-CG2 4.49Å; E505-T520 PolarHBondContact OE1-OG1 2.99Å; F514-T520 HydrophobicContact CD1-CG2 4Å; F514-T520 HydrophobicContact CD2-CG2 4.04Å; F514-T520 HydrophobicContact CE1-CG2 4.1Å; F514-T520 HydrophobicContact CE2-CG2 4.15Å; F514-T520 HydrophobicContact CG-CG2 3.97Å; F514-T520 HydrophobicContact CZ-CG2 4.18Å; E518-T520 PolarHBondContact O-N 3.31Å; T520-D522 PolarHBondContact O-N 3.41Å; T520-L523 PolarHBondContact O-N 3.34Å; T520-S524 PolarHBondContact O-N 3Å; T520-S524 VanDerWaalsContact O-N 3.16Å
521	Q	83.3	Confident	89.2	Confident	150 Å²	150	57.3 Å²	57.3	70%	0.701	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	130.3	171.4	-122.6	176	5.4	0	0	110.1	D519 L523	D519-Q521 VanDerWaalsContact C-N 3.35Å; D519-Q521 PolarHBondContact OD1-N 3.33Å; D519-Q521 VanDerWaalsContact OD1-N 3.08Å; Q521-L523 PolarHBondContact O-N 2.96Å; Q521-L523 VanDerWaalsContact O-N 3.11Å
522	D	87	Confident	89.3	Confident	88 Å²	88	61.8 Å²	61.8	47%	0.471	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.5	2.9	-173.2	-64.2	-13.3	0	0	0	117.2	T520 F525 R544	T520-D522 PolarHBondContact O-N 3.41Å; D522-F525 HydrophobicContact CB-CZ 4.43Å; D522-F525 VanDerWaalsContact O-CE2 3.24Å; D522-F525 WeakPolarHBondContact O-CE2 3.37Å; D522-F525 WeakPolarHBondContact O-CZ 3.35Å; D522-R544 WeakPolarHBondContact O-CD 3.45Å; D522-R544 WeakPolarHBondContact O-CG 3.45Å; D522-R544 IonicContact OD2-NH1 3.58Å; D522-R544 PolarHBondContact OD2-NH1 3.31Å
523	L	93.4	Very high	89.4	Confident	28 Å²	28	62.8 Å²	62.8	15%	0.147	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-106.7	-18.1	173.7	-60.8	176.2	0	0	0	113.3	F514 E518 T520 Q521 R544 A545 R546 L547	F514-L523 HydrophobicContact CE1-CB 3.87Å; F514-L523 HydrophobicContact CE1-CD1 4.29Å; F514-L523 HydrophobicContact CZ-CB 4.46Å; E518-L523 HydrophobicContact CG-CD1 4.44Å; T520-L523 PolarHBondContact O-N 3.34Å; Q521-L523 PolarHBondContact O-N 2.96Å; Q521-L523 VanDerWaalsContact O-N 3.11Å; L523-R544 WeakPolarHBondContact CD2-O 3.46Å; L523-A545 WeakPolarHBondContact O-CA 3.23Å; L523-R546 PolarHBondContact O-N 3.41Å; L523-L547 PolarHBondContact O-N 2.77Å; L523-L547 VanDerWaalsContact O-N 3.13Å
524	S	93.7	Very high	89.5	Confident	1 Å²	1	64.7 Å²	64.7	1%	0.007	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	120.9	-174.8	173.6	0	0	0	0	110.2	K501 E505 T520 L547	K501-S524 WeakPolarHBondContact CE-O 3.48Å; K501-S524 WeakPolarHBondContact CE-OG 3.09Å; K501-S524 PolarHBondContact NZ-O 3.35Å; E505-S524 WeakPolarHBondContact OE1-CB 3.13Å; E505-S524 PolarHBondContact OE1-OG 3.02Å; T520-S524 PolarHBondContact O-N 3Å; T520-S524 VanDerWaalsContact O-N 3.16Å; S524-L547 WeakPolarHBondContact CA-O 3.4Å; S524-L547 WeakPolarHBondContact OG-CD2 3.12Å
525	F	94.1	Very high	89.5	Confident	18 Å²	18	69 Å²	69	8%	0.079	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	142.7	-177.8	-62.1	-86.2	0	0	0	110.8	D522 E529 F530 L533 A541 A545 L547 F548 A549	D522-F525 HydrophobicContact CB-CZ 4.43Å; D522-F525 VanDerWaalsContact O-CE2 3.24Å; D522-F525 WeakPolarHBondContact O-CE2 3.37Å; D522-F525 WeakPolarHBondContact O-CZ 3.35Å; F525-E529 WeakPolarHBondContact CA-OE2 3.4Å; F525-F530 HydrophobicContact CB-CB 4.5Å; F525-L533 HydrophobicContact CD1-CD1 4.36Å; F525-L533 HydrophobicContact CE1-CD1 4.12Å; F525-A541 HydrophobicContact CD2-CB 4.47Å; F525-A541 HydrophobicContact CE2-CB 3.88Å; F525-A541 HydrophobicContact CZ-CB 3.91Å; F525-A545 HydrophobicContact CD2-CB 3.94Å; F525-A545 HydrophobicContact CE2-CB 3.98Å; F525-L547 PolarHBondContact N-O 3.16Å; F525-F548 HydrophobicContact CB-CD1 3.97Å; F525-F548 HydrophobicContact CB-CE1 4.05Å; F525-F548 HydrophobicContact CD2-CE1 4.14Å; F525-F548 HydrophobicContact CG-CE1 4.42Å; F525-F548 CarbonylContact O-C 3.57Å; F525-F548 VanDerWaalsContact O-CA 3.28Å; F525-F548 WeakPolarHBondContact O-CA 3.5Å; F525-A549 PolarHBondContact O-N 2.95Å
526	T	89.4	Confident	89.7	Confident	25 Å²	25	69.7 Å²	69.7	15%	0.153	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	158.3	161.2	65.1	0	0	0	0	110.7	K501 R528 E529 F530 A549	K501-T526 HydrophobicContact CB-CG2 3.98Å; K501-T526 HydrophobicContact CD-CG2 4.01Å; K501-T526 HydrophobicContact CG-CG2 4.36Å; T526-R528 PolarHBondContact O-N 3.34Å; T526-E529 PolarHBondContact N-OE2 3.13Å; T526-E529 PolarHBondContact O-N 2.92Å; T526-E529 WeakPolarHBondContact OG1-CB 3.45Å; T526-E529 WeakPolarHBondContact OG1-CG 3.23Å; T526-E529 PolarHBondContact OG1-N 3.36Å; T526-E529 VanDerWaalsContact OG1-N 3.08Å; T526-E529 PolarHBondContact OG1-OE2 2.9Å; T526-F530 WeakPolarHBondContact O-CB 3.29Å; T526-F530 PolarHBondContact O-N 3.49Å; T526-A549 CarbonylContact C-O 3.6Å; T526-A549 WeakPolarHBondContact CA-O 3.4Å
527	G	87.5	Confident	90.3	Very high	0 Å²	0	68.9 Å²	68.9	0%	0	35%	0.35	C	S	.	.	H	α-helix	trans	-52.8	-38.8	172.9	0	0	0	0	0	113	F530 D531 A549	G527-F530 PolarHBondContact O-N 2.79Å; G527-D531 PolarHBondContact O-N 3.43Å; G527-A549 PolarHBondContact N-O 3.38Å
528	R	84.8	Confident	90.7	Very high	136 Å²	136	62.2 Å²	62.2	51%	0.513	31%	0.314	S	S	.	.	H	α-helix	trans	-68.7	-47.7	176.6	-173.2	-178.5	-175	139.5	8	112.8	D65 T526 F530 D531 D532	D65-R528 IonicContact OD2-CZ 2.72Å; D65-R528 IonicContact OD2-NH1 2.81Å; D65-R528 PolarHBondContact OD2-NH1 2.7Å; D65-R528 IonicContact OD2-NH2 2.95Å; D65-R528 PolarHBondContact OD2-NH2 2.83Å; T526-R528 PolarHBondContact O-N 3.34Å; R528-F530 PolarHBondContact O-N 3.45Å; R528-D531 PolarHBondContact O-N 2.99Å; R528-D532 VanDerWaalsContact O-CG 3.29Å; R528-D532 PolarHBondContact O-N 2.96Å
529	E	90.9	Very high	91	Very high	82 Å²	82	61.4 Å²	61.4	38%	0.383	31%	0.313	S	S	.	.	H	α-helix	trans	-56.9	-40.9	175.1	-75	166.9	166.6	0	0	110.4	K501 F525 T526 D532 L533	K501-E529 IonicContact NZ-OE1 2.76Å; K501-E529 PolarHBondContact NZ-OE1 2.95Å; K501-E529 IonicContact NZ-OE2 3.74Å; K501-E529 PolarHBondContact NZ-OE2 3.36Å; F525-E529 WeakPolarHBondContact CA-OE2 3.4Å; T526-E529 PolarHBondContact N-OE2 3.13Å; T526-E529 PolarHBondContact O-N 2.92Å; T526-E529 WeakPolarHBondContact OG1-CB 3.45Å; T526-E529 WeakPolarHBondContact OG1-CG 3.23Å; T526-E529 PolarHBondContact OG1-N 3.36Å; T526-E529 VanDerWaalsContact OG1-N 3.08Å; T526-E529 PolarHBondContact OG1-OE2 2.9Å; E529-D532 PolarHBondContact O-N 2.79Å; E529-L533 WeakPolarHBondContact O-CG 3.5Å; E529-L533 PolarHBondContact O-N 3.24Å
530	F	93.3	Very high	91.2	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-66.3	-44	177.5	-174.7	-111	0	0	0	112.4	F525 T526 G527 R528 D532 L533 Q538 A541 F548 K558 I559 F562	F525-F530 HydrophobicContact CB-CB 4.5Å; T526-F530 WeakPolarHBondContact O-CB 3.29Å; T526-F530 PolarHBondContact O-N 3.49Å; G527-F530 PolarHBondContact O-N 2.79Å; R528-F530 PolarHBondContact O-N 3.45Å; F530-D532 VanDerWaalsContact C-N 3.29Å; F530-D532 PolarHBondContact O-N 2.81Å; F530-L533 HydrophobicContact CD2-CD1 4.39Å; F530-L533 WeakPolarHBondContact O-CB 3.4Å; F530-L533 PolarHBondContact O-N 2.87Å; F530-Q538 HydrophobicContact CD2-CB 4.44Å; F530-Q538 HydrophobicContact CD2-CG 4.13Å; F530-Q538 HydrophobicContact CE1-CB 4.43Å; F530-Q538 HydrophobicContact CE1-CG 4.24Å; F530-Q538 HydrophobicContact CE2-CB 3.66Å; F530-Q538 HydrophobicContact CE2-CG 3.81Å; F530-Q538 HydrophobicContact CG-CG 4.49Å; F530-Q538 HydrophobicContact CZ-CB 3.66Å; F530-Q538 HydrophobicContact CZ-CG 3.87Å; F530-Q538 WeakPolarHBondContact O-CG 3.4Å; F530-Q538 PolarHBondContact O-NE2 2.97Å; F530-A541 HydrophobicContact CD2-CB 4.49Å; F530-A541 HydrophobicContact CE2-CB 4.31Å; F530-F548 AromaticContact CD2-CE1 3.7Å; F530-F548 HydrophobicContact CD2-CE1 3.7Å; F530-F548 AromaticContact CE2-CE1 3.97Å; F530-F548 HydrophobicContact CE2-CE1 3.97Å; F530-F548 HydrophobicContact CE2-CZ 4.4Å; F530-F548 HydrophobicContact CG-CE1 4.17Å; F530-K558 HydrophobicContact CE1-CD 4.45Å; F530-I559 HydrophobicContact CE1-CG1 4.44Å; F530-I559 HydrophobicContact CZ-CG1 4.45Å; F530-F562 HydrophobicContact CE1-CE2 4.41Å; F530-F562 AromaticContact CZ-CD2 3.95Å; F530-F562 HydrophobicContact CZ-CD2 3.95Å; F530-F562 AromaticContact CZ-CE2 3.89Å; F530-F562 HydrophobicContact CZ-CE2 3.89Å
531	D	90	Very high	91.6	Very high	58 Å²	58	59.7 Å²	59.7	31%	0.31	30%	0.303	S	S	.	.	H	α-helix	trans	-64.4	-32.1	177.3	-81.8	-19	0	0	0	113.8	R67 G527 R528 L533 H555	R67-D531 VanDerWaalsContact NH2-CB 3.3Å; R67-D531 IonicContact NH2-OD2 3.2Å; G527-D531 PolarHBondContact O-N 3.43Å; R528-D531 PolarHBondContact O-N 2.99Å; D531-L533 PolarHBondContact O-N 3.45Å; D531-H555 IonicContact OD1-CD2 3.68Å; D531-H555 IonicContact OD1-NE2 3.98Å; D531-H555 PolarHBondContact OD1-NE2 3.11Å; D531-H555 VanDerWaalsContact OD1-NE2 3.15Å; D531-H555 IonicContact OD2-CE1 2.61Å; D531-H555 IonicContact OD2-NE2 3.58Å; D531-H555 PolarHBondContact OD2-NE2 3.45Å
532	D	92.1	Very high	92.1	Very high	96 Å²	96	52.5 Å²	52.5	51%	0.513	27%	0.27	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.6	-11.6	-179.9	-67.7	-20.9	0	0	0	112.1	R67 R528 E529 F530	R67-D532 IonicContact CZ-OD1 2.76Å; R67-D532 IonicContact NH1-OD1 2.69Å; R67-D532 PolarHBondContact NH1-OD1 3.18Å; R67-D532 IonicContact NH2-OD1 3.81Å; R67-D532 PolarHBondContact NH2-OD1 3.17Å; R528-D532 VanDerWaalsContact O-CG 3.29Å; R528-D532 PolarHBondContact O-N 2.96Å; E529-D532 PolarHBondContact O-N 2.79Å; F530-D532 VanDerWaalsContact C-N 3.29Å; F530-D532 PolarHBondContact O-N 2.81Å
533	L	93.1	Very high	92.4	Very high	44 Å²	44	55.7 Å²	55.7	23%	0.23	28%	0.275	C	S	.	.	S	Bend	trans	-75.2	147.3	169.9	-63.1	175.1	0	0	0	111.6	F525 E529 F530 D531 Q537 Q538 A541	F525-L533 HydrophobicContact CD1-CD1 4.36Å; F525-L533 HydrophobicContact CE1-CD1 4.12Å; E529-L533 WeakPolarHBondContact O-CG 3.5Å; E529-L533 PolarHBondContact O-N 3.24Å; F530-L533 HydrophobicContact CD2-CD1 4.39Å; F530-L533 WeakPolarHBondContact O-CB 3.4Å; F530-L533 PolarHBondContact O-N 2.87Å; D531-L533 PolarHBondContact O-N 3.45Å; L533-Q537 HydrophobicContact CB-CB 3.93Å; L533-Q537 HydrophobicContact CD2-CB 4.24Å; L533-Q537 HydrophobicContact CG-CB 4.46Å; L533-Q538 HydrophobicContact CB-CG 3.8Å; L533-Q538 PolarHBondContact O-NE2 3.46Å; L533-A541 HydrophobicContact CD1-CB 4.06Å
534	S	94.5	Very high	92.3	Very high	47 Å²	47	59 Å²	59	33%	0.329	29%	0.286	S	S	.	.			trans	-64.1	157	169.3	62.5	0	0	0	0	111.7	E536 Q537 Q538	S534-E536 VanDerWaalsContact C-N 3.25Å; S534-E536 PolarHBondContact O-N 2.71Å; S534-Q537 VanDerWaalsContact N-OE1 3.11Å; S534-Q537 CarbonylContact O-C 3.23Å; S534-Q537 WeakPolarHBondContact O-CA 3.43Å; S534-Q537 WeakPolarHBondContact O-CB 3.45Å; S534-Q537 PolarHBondContact O-N 3.05Å; S534-Q537 WeakPolarHBondContact OG-CB 3.18Å; S534-Q537 VanDerWaalsContact OG-CD 3.24Å; S534-Q537 VanDerWaalsContact OG-CG 3.25Å; S534-Q537 WeakPolarHBondContact OG-CG 3.45Å; S534-Q537 PolarHBondContact OG-N 3.48Å; S534-Q537 PolarHBondContact OG-OE1 3.1Å; S534-Q538 WeakPolarHBondContact O-CG 3.31Å; S534-Q538 PolarHBondContact O-N 3.24Å
535	P	91.9	Very high	92.4	Very high	92 Å²	92	58.9 Å²	58.9	60%	0.597	29%	0.285	S	S	*	.	H	α-helix	trans	-54.9	-36.9	-179.8	-27.8	35.5	0	0	0	114.4	Q538 S539	P535-Q538 PolarHBondContact O-N 2.85Å; P535-S539 WeakPolarHBondContact O-CB 3.28Å; P535-S539 PolarHBondContact O-N 3.49Å
536	E	92.9	Very high	92.4	Very high	165 Å²	165	61.7 Å²	61.7	77%	0.771	30%	0.295	S	S	*	.	H	α-helix	trans	-66.9	-41	175.6	-65.7	177.7	-177.3	0	0	111.8	S534 S539 L540	S534-E536 VanDerWaalsContact C-N 3.25Å; S534-E536 PolarHBondContact O-N 2.71Å; E536-S539 PolarHBondContact O-N 3.08Å; E536-L540 PolarHBondContact O-N 3Å
537	Q	94.3	Very high	92.7	Very high	103 Å²	103	60.5 Å²	60.5	48%	0.481	29%	0.288	S	S	.	.	H	α-helix	trans	-70.1	-35	175.7	-72.4	169.4	-35.5	0	0	112.1	L533 S534 L540 A541	L533-Q537 HydrophobicContact CB-CB 3.93Å; L533-Q537 HydrophobicContact CD2-CB 4.24Å; L533-Q537 HydrophobicContact CG-CB 4.46Å; S534-Q537 VanDerWaalsContact N-OE1 3.11Å; S534-Q537 CarbonylContact O-C 3.23Å; S534-Q537 WeakPolarHBondContact O-CA 3.43Å; S534-Q537 WeakPolarHBondContact O-CB 3.45Å; S534-Q537 PolarHBondContact O-N 3.05Å; S534-Q537 WeakPolarHBondContact OG-CB 3.18Å; S534-Q537 VanDerWaalsContact OG-CD 3.24Å; S534-Q537 VanDerWaalsContact OG-CG 3.25Å; S534-Q537 WeakPolarHBondContact OG-CG 3.45Å; S534-Q537 PolarHBondContact OG-N 3.48Å; S534-Q537 PolarHBondContact OG-OE1 3.1Å; Q537-L540 PolarHBondContact O-N 3.37Å; Q537-A541 VanDerWaalsContact O-CB 3.23Å; Q537-A541 WeakPolarHBondContact O-CB 3.36Å; Q537-A541 PolarHBondContact O-N 2.86Å
538	Q	94.5	Very high	93	Very high	6 Å²	6	60.5 Å²	60.5	3%	0.028	29%	0.288	C	S	.	.	H	α-helix	trans	-61.1	-48.2	173.3	-74.1	176	-12.7	0	0	110.7	F530 L533 S534 P535 L540 A541 C542 K558 F562	F530-Q538 HydrophobicContact CD2-CB 4.44Å; F530-Q538 HydrophobicContact CD2-CG 4.13Å; F530-Q538 HydrophobicContact CE1-CB 4.43Å; F530-Q538 HydrophobicContact CE1-CG 4.24Å; F530-Q538 HydrophobicContact CE2-CB 3.66Å; F530-Q538 HydrophobicContact CE2-CG 3.81Å; F530-Q538 HydrophobicContact CG-CG 4.49Å; F530-Q538 HydrophobicContact CZ-CB 3.66Å; F530-Q538 HydrophobicContact CZ-CG 3.87Å; F530-Q538 WeakPolarHBondContact O-CG 3.4Å; F530-Q538 PolarHBondContact O-NE2 2.97Å; L533-Q538 HydrophobicContact CB-CG 3.8Å; L533-Q538 PolarHBondContact O-NE2 3.46Å; S534-Q538 WeakPolarHBondContact O-CG 3.31Å; S534-Q538 PolarHBondContact O-N 3.24Å; P535-Q538 PolarHBondContact O-N 2.85Å; Q538-L540 PolarHBondContact O-N 3.08Å; Q538-A541 WeakPolarHBondContact O-CB 3.29Å; Q538-A541 PolarHBondContact O-N 3.16Å; Q538-C542 PolarHBondContact O-N 2.85Å; Q538-C542 PolarHBondContact O-SG 3.26Å; Q538-K558 VanDerWaalsContact OE1-CE 3.24Å; Q538-F562 HydrophobicContact CB-CD2 4.33Å; Q538-F562 HydrophobicContact CB-CE2 3.55Å; Q538-F562 HydrophobicContact CB-CZ 3.73Å; Q538-F562 HydrophobicContact CG-CE2 4.5Å
539	S	94.1	Very high	93.2	Very high	25 Å²	25	54 Å²	54	18%	0.175	26%	0.264	C	S	.	.	H	α-helix	trans	-56.5	-49.6	175.2	-177.2	0	0	0	0	111.4	P535 E536 A541 C542 R543 H566	P535-S539 WeakPolarHBondContact O-CB 3.28Å; P535-S539 PolarHBondContact O-N 3.49Å; E536-S539 PolarHBondContact O-N 3.08Å; S539-A541 VanDerWaalsContact C-N 3.32Å; S539-A541 PolarHBondContact O-N 2.76Å; S539-C542 PolarHBondContact O-N 2.84Å; S539-R543 PolarHBondContact O-N 2.78Å; S539-H566 PolarHBondContact O-CE1 3.4Å; S539-H566 PolarHBondContact OG-CE1 3.12Å; S539-H566 PolarHBondContact OG-NE2 3.28Å
540	L	93.7	Very high	92.9	Very high	85 Å²	85	54.3 Å²	54.3	45%	0.445	26%	0.261	S	S	.	.	H	α-helix	trans	-64.5	-34.1	177.3	-170.8	66.1	0	0	0	113.1	E536 Q537 Q538 R543	E536-L540 PolarHBondContact O-N 3Å; Q537-L540 PolarHBondContact O-N 3.37Å; Q538-L540 PolarHBondContact O-N 3.08Å; L540-R543 PolarHBondContact O-N 3.39Å
541	A	94.3	Very high	92.6	Very high	4 Å²	4	54.6 Å²	54.6	3%	0.033	26%	0.263	C	S	.	.	H	α-helix	trans	-65.9	-46.3	175.7	0	0	0	0	0	110.8	F525 F530 L533 Q537 Q538 S539 R543 R544 A545	F525-A541 HydrophobicContact CD2-CB 4.47Å; F525-A541 HydrophobicContact CE2-CB 3.88Å; F525-A541 HydrophobicContact CZ-CB 3.91Å; F530-A541 HydrophobicContact CD2-CB 4.49Å; F530-A541 HydrophobicContact CE2-CB 4.31Å; L533-A541 HydrophobicContact CD1-CB 4.06Å; Q537-A541 VanDerWaalsContact O-CB 3.23Å; Q537-A541 WeakPolarHBondContact O-CB 3.36Å; Q537-A541 PolarHBondContact O-N 2.86Å; Q538-A541 WeakPolarHBondContact O-CB 3.29Å; Q538-A541 PolarHBondContact O-N 3.16Å; S539-A541 VanDerWaalsContact C-N 3.32Å; S539-A541 PolarHBondContact O-N 2.76Å; A541-R543 PolarHBondContact O-N 3.21Å; A541-R544 WeakPolarHBondContact O-CG 3.19Å; A541-R544 PolarHBondContact O-N 2.87Å; A541-A545 WeakPolarHBondContact O-CB 3.4Å; A541-A545 PolarHBondContact O-N 3.17Å
542	C	95	Very high	92.2	Very high	0 Å²	0	52.9 Å²	52.9	0%	0	25%	0.253	C	S	.	.	H	α-helix	trans	-58.6	-30.2	175.9	-70.7	0	0	0	0	112.9	R492 Q538 S539 R544 F562 L563	R492-C542 PolarHBondContact NH1-O 3.15Å; R492-C542 PolarHBondContact NH2-O 3.39Å; R492-C542 VanDerWaalsContact NH2-O 3.14Å; Q538-C542 PolarHBondContact O-N 2.85Å; Q538-C542 PolarHBondContact O-SG 3.26Å; S539-C542 PolarHBondContact O-N 2.84Å; C542-R544 VanDerWaalsContact C-N 3.35Å; C542-R544 PolarHBondContact O-N 2.84Å; C542-F562 HydrophobicContact CB-CB 3.9Å; C542-L563 HydrophobicContact CB-CD2 4.39Å; C542-L563 WeakPolarHBondContact O-CD2 3.44Å
543	R	92	Very high	91.7	Very high	154 Å²	154	48.9 Å²	48.9	58%	0.581	23%	0.232	S	C	*	.	H	α-helix	trans	-70	-27.2	177.2	-164.6	173.2	-177.5	-178.4	1.6	114.2	R492 S539 L540 A541	R492-R543 VanDerWaalsContact CZ-O 3.23Å; R492-R543 VanDerWaalsContact NH1-C 3.27Å; R492-R543 PolarHBondContact NH1-O 2.81Å; R492-R543 PolarHBondContact NH2-O 2.77Å; S539-R543 PolarHBondContact O-N 2.78Å; L540-R543 PolarHBondContact O-N 3.39Å; A541-R543 PolarHBondContact O-N 3.21Å
544	R	92.5	Very high	91.3	Very high	97 Å²	97	49.1 Å²	49.1	37%	0.366	24%	0.241	S	C	.	.	H	α-helix	trans	-109.6	-31.1	-176.9	65.2	175.3	78.2	170	2.1	113.9	D522 L523 A541 C542	D522-R544 WeakPolarHBondContact O-CD 3.45Å; D522-R544 WeakPolarHBondContact O-CG 3.45Å; D522-R544 IonicContact OD2-NH1 3.58Å; D522-R544 PolarHBondContact OD2-NH1 3.31Å; L523-R544 WeakPolarHBondContact CD2-O 3.46Å; A541-R544 WeakPolarHBondContact O-CG 3.19Å; A541-R544 PolarHBondContact O-N 2.87Å; C542-R544 VanDerWaalsContact C-N 3.35Å; C542-R544 PolarHBondContact O-N 2.84Å
545	A	94.6	Very high	91.1	Very high	0 Å²	0	47.5 Å²	47.5	0%	0	23%	0.228	C	C	.	.			trans	-61.9	145.9	-171.2	0	0	0	0	0	111.3	R492 L523 F525 A541 F548	R492-A545 PolarHBondContact NH1-O 2.84Å; L523-A545 WeakPolarHBondContact O-CA 3.23Å; F525-A545 HydrophobicContact CD2-CB 3.94Å; F525-A545 HydrophobicContact CE2-CB 3.98Å; A541-A545 WeakPolarHBondContact O-CB 3.4Å; A541-A545 PolarHBondContact O-N 3.17Å; A545-F548 HydrophobicContact CB-CE1 4.34Å; A545-F548 HydrophobicContact CB-CE2 3.63Å; A545-F548 HydrophobicContact CB-CZ 3.52Å
546	R	95.3	Very high	91.1	Very high	77 Å²	77	43.4 Å²	43.4	29%	0.291	20%	0.201	S	C	.	.	S	Bend	trans	-116.9	-14.3	170.1	-57.1	-172.7	-162.4	145.8	13.8	111.8	I494 M495 L513 F514 E518 L523	I494-R546 CarbonylContact C-O 3.58Å; I494-R546 VanDerWaalsContact CA-O 3.29Å; I494-R546 WeakPolarHBondContact CA-O 3.4Å; M495-R546 PolarHBondContact N-O 2.73Å; L513-R546 HydrophobicContact CD1-CB 4Å; L513-R546 HydrophobicContact CD2-CB 4.4Å; L513-R546 WeakPolarHBondContact CD2-O 3.28Å; L513-R546 HydrophobicContact CG-CB 4.02Å; L513-R546 VanDerWaalsContact O-CD 3.3Å; L513-R546 WeakPolarHBondContact O-CD 3.14Å; L513-R546 PolarHBondContact O-NH1 2.92Å; F514-R546 HydrophobicContact CE1-CB 3.75Å; F514-R546 HydrophobicContact CE1-CG 4.29Å; F514-R546 HydrophobicContact CZ-CB 3.9Å; E518-R546 IonicContact OE1-CZ 3.79Å; E518-R546 IonicContact OE1-NH1 2.75Å; E518-R546 PolarHBondContact OE1-NH1 3.08Å; E518-R546 IonicContact OE1-NH2 2.74Å; E518-R546 PolarHBondContact OE1-NH2 2.85Å; E518-R546 IonicContact OE2-NH1 3.8Å; E518-R546 PolarHBondContact OE2-NH1 3.41Å; L523-R546 PolarHBondContact O-N 3.41Å
547	L	95.4	Very high	91	Very high	0 Å²	0	36 Å²	36	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	130.1	-179.1	173.9	62.1	0	0	0	112.7	M495 T497 A504 E505 F514 L523 S524 F525	M495-L547 HydrophobicContact CB-CD1 3.86Å; M495-L547 HydrophobicContact CG-CD1 3.89Å; M495-L547 CarbonylContact O-C 3.57Å; M495-L547 WeakPolarHBondContact O-CA 3.1Å; M495-L547 HydrophobicContact SD-CD1 3.8Å; T497-L547 HydrophobicContact CG2-CD1 4.26Å; A504-L547 HydrophobicContact CB-CD1 3.72Å; A504-L547 HydrophobicContact CB-CD2 3.77Å; A504-L547 HydrophobicContact CB-CG 4.3Å; E505-L547 HydrophobicContact CB-CD2 4.3Å; E505-L547 HydrophobicContact CG-CD2 3.54Å; F514-L547 HydrophobicContact CE2-CB 3.89Å; F514-L547 HydrophobicContact CE2-CD2 4.04Å; F514-L547 HydrophobicContact CZ-CB 3.75Å; L523-L547 PolarHBondContact O-N 2.77Å; L523-L547 VanDerWaalsContact O-N 3.13Å; S524-L547 WeakPolarHBondContact CA-O 3.4Å; S524-L547 WeakPolarHBondContact OG-CD2 3.12Å; F525-L547 PolarHBondContact N-O 3.16Å
548	F	94.6	Very high	90.9	Very high	0 Å²	0	34.1 Å²	34.1	0%	0	16%	0.157	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	119.7	165.7	-66.5	-84.4	0	0	0	110.1	I494 M495 I496 T497 F525 F530 A545 V551 I559	I494-F548 HydrophobicContact CG2-CD2 3.75Å; I494-F548 HydrophobicContact CG2-CE2 3.95Å; M495-F548 PolarHBondContact O-N 3.34Å; I496-F548 CarbonylContact C-O 3.6Å; I496-F548 WeakPolarHBondContact CA-O 3.38Å; I496-F548 HydrophobicContact CG1-CD2 4.48Å; T497-F548 PolarHBondContact N-O 2.82Å; F525-F548 HydrophobicContact CB-CD1 3.97Å; F525-F548 HydrophobicContact CB-CE1 4.05Å; F525-F548 HydrophobicContact CD2-CE1 4.14Å; F525-F548 HydrophobicContact CG-CE1 4.42Å; F525-F548 CarbonylContact O-C 3.57Å; F525-F548 VanDerWaalsContact O-CA 3.28Å; F525-F548 WeakPolarHBondContact O-CA 3.5Å; F530-F548 AromaticContact CD2-CE1 3.7Å; F530-F548 HydrophobicContact CD2-CE1 3.7Å; F530-F548 AromaticContact CE2-CE1 3.97Å; F530-F548 HydrophobicContact CE2-CE1 3.97Å; F530-F548 HydrophobicContact CE2-CZ 4.4Å; F530-F548 HydrophobicContact CG-CE1 4.17Å; A545-F548 HydrophobicContact CB-CE1 4.34Å; A545-F548 HydrophobicContact CB-CE2 3.63Å; A545-F548 HydrophobicContact CB-CZ 3.52Å; F548-V551 HydrophobicContact CB-CG1 3.98Å; F548-V551 HydrophobicContact CB-CG2 4.27Å; F548-V551 WeakPolarHBondContact O-CG2 3.28Å; F548-I559 HydrophobicContact CB-CD1 4.04Å; F548-I559 HydrophobicContact CD1-CD1 3.92Å; F548-I559 HydrophobicContact CD2-CD1 3.62Å; F548-I559 HydrophobicContact CD2-CG1 4.35Å; F548-I559 HydrophobicContact CE1-CD1 4.26Å; F548-I559 HydrophobicContact CE1-CG1 4.43Å; F548-I559 HydrophobicContact CE2-CD1 3.98Å; F548-I559 HydrophobicContact CE2-CG1 4.2Å; F548-I559 HydrophobicContact CE2-CG2 4.17Å; F548-I559 HydrophobicContact CG-CD1 3.58Å; F548-I559 HydrophobicContact CZ-CD1 4.28Å; F548-I559 HydrophobicContact CZ-CG1 4.24Å
549	A	88.9	Confident	91	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	16%	0.156	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	161	-178.4	0	0	0	0	0	111.5	T497 K501 A504 F525 T526 G527 V551	T497-A549 HydrophobicContact CG2-CB 4.31Å; T497-A549 CarbonylContact O-C 3.53Å; T497-A549 VanDerWaalsContact O-C 3.29Å; T497-A549 WeakPolarHBondContact O-CA 3.44Å; K501-A549 HydrophobicContact CB-CB 4.2Å; A504-A549 HydrophobicContact CB-CB 4.17Å; F525-A549 PolarHBondContact O-N 2.95Å; T526-A549 CarbonylContact C-O 3.6Å; T526-A549 WeakPolarHBondContact CA-O 3.4Å; G527-A549 PolarHBondContact N-O 3.38Å; A549-V551 PolarHBondContact O-N 2.86Å; A549-V551 VanDerWaalsContact O-N 3.16Å
550	R	84	Confident	91	Very high	88 Å²	88	32.6 Å²	32.6	33%	0.332	15%	0.148	S	C	.	.	S	Bend	trans	46.6	44.2	-177.6	-65.1	-71.1	174	-179.7	-7.7	112.9	T497 G498 D499	T497-R550 PolarHBondContact O-N 3.33Å; G498-R550 WeakPolarHBondContact O-CD 3.33Å; D499-R550 WeakPolarHBondContact O-CG 3.34Å; D499-R550 PolarHBondContact O-N 2.9Å
551	V	85.9	Confident	91	Very high	5 Å²	5	33.6 Å²	33.6	3%	0.03	15%	0.15	C	C	.	.			trans	-90.1	148.4	-175.6	-102.3	0	0	0	0	111.8	Q71 I496 T497 F548 A549 H555	Q71-V551 PolarHBondContact NE2-O 3.48Å; I496-V551 HydrophobicContact CG2-CB 4.4Å; I496-V551 HydrophobicContact CG2-CG2 3.6Å; T497-V551 WeakPolarHBondContact O-CG2 3.23Å; T497-V551 PolarHBondContact O-N 2.97Å; F548-V551 HydrophobicContact CB-CG1 3.98Å; F548-V551 HydrophobicContact CB-CG2 4.27Å; F548-V551 WeakPolarHBondContact O-CG2 3.28Å; A549-V551 PolarHBondContact O-N 2.86Å; A549-V551 VanDerWaalsContact O-N 3.16Å; V551-H555 HydrophobicContact CB-CB 4.1Å; V551-H555 HydrophobicContact CG1-CB 3.5Å
552	E	81.7	Confident	91	Very high	22 Å²	22	34.8 Å²	34.8	10%	0.103	15%	0.154	C	C	.	.			trans	-93.7	161.5	173.4	-73.9	-75.8	-173	0	0	110.4	V69 N70 A554 H555 K556	V69-E552 VanDerWaalsContact C-OE1 3.23Å; V69-E552 WeakPolarHBondContact CA-OE1 3.41Å; V69-E552 HydrophobicContact CB-CG 4.24Å; V69-E552 WeakPolarHBondContact CB-OE1 3.39Å; V69-E552 HydrophobicContact CG1-CG 3.86Å; V69-E552 WeakPolarHBondContact CG1-OE1 3.3Å; N70-E552 PolarHBondContact N-OE1 3.35Å; N70-E552 PolarHBondContact ND2-OE2 2.84Å; E552-A554 PolarHBondContact O-N 2.89Å; E552-H555 PolarHBondContact N-ND1 3.24Å; E552-H555 WeakPolarHBondContact O-CB 3.43Å; E552-H555 PolarHBondContact O-N 3.2Å; E552-K556 PolarHBondContact O-N 2.93Å
553	P	81.8	Confident	91	Very high	12 Å²	12	34.8 Å²	34.8	8%	0.078	15%	0.154	C	C	.	.	H	α-helix	trans	-49.3	-45.9	174.1	-25.9	33.2	0	0	0	112.9	I104 H555 K556 N578	I104-P553 HydrophobicContact CD1-CB 4.4Å; I104-P553 HydrophobicContact CD1-CG 4.26Å; I104-P553 HydrophobicContact CG1-CB 4.35Å; P553-H555 VanDerWaalsContact C-N 3.27Å; P553-H555 PolarHBondContact O-N 2.96Å; P553-K556 WeakPolarHBondContact O-CB 3.29Å; P553-K556 PolarHBondContact O-N 3.4Å; P553-K556 VanDerWaalsContact O-N 3.08Å; P553-N578 HydrophobicContact CB-CB 4.29Å; P553-N578 HydrophobicContact CG-CB 3.83Å
554	A	85.4	Confident	91	Very high	50 Å²	50	28.8 Å²	28.8	41%	0.413	13%	0.133	S	C	.	.	H	α-helix	trans	-66.4	-23.8	179.6	0	0	0	0	0	113.8	E552 S557 K558	E552-A554 PolarHBondContact O-N 2.89Å; A554-S557 PolarHBondContact O-OG 3.27Å; A554-K558 VanDerWaalsContact O-CB 3.26Å; A554-K558 WeakPolarHBondContact O-CB 3.35Å; A554-K558 PolarHBondContact O-N 3.42Å
555	H	90.4	Very high	91	Very high	13 Å²	13	28 Å²	28	6%	0.06	14%	0.142	C	C	.	.	H	α-helix	trans	-71.8	-35.2	173.7	-61.6	157.5	0	0	0	110.9	D531 V551 E552 P553 K558 I559	D531-H555 IonicContact OD1-CD2 3.68Å; D531-H555 IonicContact OD1-NE2 3.98Å; D531-H555 PolarHBondContact OD1-NE2 3.11Å; D531-H555 VanDerWaalsContact OD1-NE2 3.15Å; D531-H555 IonicContact OD2-CE1 2.61Å; D531-H555 IonicContact OD2-NE2 3.58Å; D531-H555 PolarHBondContact OD2-NE2 3.45Å; V551-H555 HydrophobicContact CB-CB 4.1Å; V551-H555 HydrophobicContact CG1-CB 3.5Å; E552-H555 PolarHBondContact N-ND1 3.24Å; E552-H555 WeakPolarHBondContact O-CB 3.43Å; E552-H555 PolarHBondContact O-N 3.2Å; P553-H555 VanDerWaalsContact C-N 3.27Å; P553-H555 PolarHBondContact O-N 2.96Å; H555-K558 PolarHBondContact O-N 3.29Å; H555-I559 WeakPolarHBondContact O-CB 3.4Å; H555-I559 WeakPolarHBondContact O-CD1 3.26Å; H555-I559 WeakPolarHBondContact O-CG1 3.36Å; H555-I559 PolarHBondContact O-N 2.75Å
556	K	91.8	Very high	90.8	Very high	6 Å²	6	31.1 Å²	31.1	3%	0.026	16%	0.157	C	C	.	.	H	α-helix	trans	-62.3	-48.6	-179.2	-56.6	-164	167.5	-159.8	0	110.8	D220 I496 E552 P553 I559 V560 M572 D579 A582	D220-K556 IonicContact OD1-NZ 3.8Å; D220-K556 PolarHBondContact OD1-NZ 3.08Å; I496-K556 HydrophobicContact CG2-CD 4.09Å; I496-K556 HydrophobicContact CG2-CG 3.85Å; E552-K556 PolarHBondContact O-N 2.93Å; P553-K556 WeakPolarHBondContact O-CB 3.29Å; P553-K556 PolarHBondContact O-N 3.4Å; P553-K556 VanDerWaalsContact O-N 3.08Å; K556-I559 PolarHBondContact O-N 3.41Å; K556-V560 WeakPolarHBondContact O-CG2 3.38Å; K556-V560 PolarHBondContact O-N 2.97Å; K556-M572 HydrophobicContact CB-CE 4.08Å; K556-M572 HydrophobicContact CD-CE 3.73Å; K556-M572 HydrophobicContact CG-CE 4.31Å; K556-D579 VanDerWaalsContact CD-OD1 3.25Å; K556-D579 WeakPolarHBondContact CD-OD1 3.35Å; K556-D579 VanDerWaalsContact CE-OD1 3.31Å; K556-D579 WeakPolarHBondContact CE-OD1 3.24Å; K556-D579 IonicContact NZ-OD1 3.06Å; K556-D579 PolarHBondContact NZ-OD1 2.8Å; K556-A582 HydrophobicContact CB-CB 3.55Å
557	S	91.2	Very high	90.5	Very high	10 Å²	10	29.7 Å²	29.7	7%	0.07	17%	0.166	C	C	.	.	H	α-helix	trans	-64.1	-41.9	176.5	51.3	0	0	0	0	112.1	E107 A554 I559 V560 E561	E107-S557 WeakPolarHBondContact OE1-CB 3.39Å; E107-S557 PolarHBondContact OE1-OG 3.06Å; A554-S557 PolarHBondContact O-OG 3.27Å; S557-I559 PolarHBondContact O-N 3.09Å; S557-V560 WeakPolarHBondContact O-CB 3.28Å; S557-V560 PolarHBondContact O-N 3.01Å; S557-E561 PolarHBondContact O-N 3.39Å
558	K	92.8	Very high	90.4	Very high	62 Å²	62	32.2 Å²	32.2	27%	0.27	18%	0.178	S	C	.	.	H	α-helix	trans	-64.6	-36.9	177.7	-167.3	175.3	-177.6	-166.8	0	113.4	F530 Q538 A554 H555 E561 F562	F530-K558 HydrophobicContact CE1-CD 4.45Å; Q538-K558 VanDerWaalsContact OE1-CE 3.24Å; A554-K558 VanDerWaalsContact O-CB 3.26Å; A554-K558 WeakPolarHBondContact O-CB 3.35Å; A554-K558 PolarHBondContact O-N 3.42Å; H555-K558 PolarHBondContact O-N 3.29Å; K558-E561 PolarHBondContact O-N 3.47Å; K558-F562 HydrophobicContact CD-CE2 4.2Å; K558-F562 HydrophobicContact CG-CD2 4.11Å; K558-F562 HydrophobicContact CG-CE2 3.71Å; K558-F562 HydrophobicContact CG-CZ 4.49Å; K558-F562 WeakPolarHBondContact O-CD2 3.39Å; K558-F562 PolarHBondContact O-N 2.73Å
559	I	95.2	Very high	90.4	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-62.5	-46.1	173.5	-71.1	159.6	0	0	0	109.9	I496 F530 F548 H555 K556 S557 F562 L563	I496-I559 HydrophobicContact CD1-CD1 4.11Å; I496-I559 HydrophobicContact CD1-CG2 4.3Å; F530-I559 HydrophobicContact CE1-CG1 4.44Å; F530-I559 HydrophobicContact CZ-CG1 4.45Å; F548-I559 HydrophobicContact CB-CD1 4.04Å; F548-I559 HydrophobicContact CD1-CD1 3.92Å; F548-I559 HydrophobicContact CD2-CD1 3.62Å; F548-I559 HydrophobicContact CD2-CG1 4.35Å; F548-I559 HydrophobicContact CE1-CD1 4.26Å; F548-I559 HydrophobicContact CE1-CG1 4.43Å; F548-I559 HydrophobicContact CE2-CD1 3.98Å; F548-I559 HydrophobicContact CE2-CG1 4.2Å; F548-I559 HydrophobicContact CE2-CG2 4.17Å; F548-I559 HydrophobicContact CG-CD1 3.58Å; F548-I559 HydrophobicContact CZ-CD1 4.28Å; F548-I559 HydrophobicContact CZ-CG1 4.24Å; H555-I559 WeakPolarHBondContact O-CB 3.4Å; H555-I559 WeakPolarHBondContact O-CD1 3.26Å; H555-I559 WeakPolarHBondContact O-CG1 3.36Å; H555-I559 PolarHBondContact O-N 2.75Å; K556-I559 PolarHBondContact O-N 3.41Å; S557-I559 PolarHBondContact O-N 3.09Å; I559-F562 PolarHBondContact O-N 3.36Å; I559-L563 HydrophobicContact CG2-CD1 4Å; I559-L563 VanDerWaalsContact O-CG 3.32Å; I559-L563 WeakPolarHBondContact O-CG 3.31Å; I559-L563 PolarHBondContact O-N 3.43Å
560	V	94.4	Very high	90.7	Very high	0 Å²	0	32.8 Å²	32.8	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-59.4	-47.9	176.3	173.1	0	0	0	0	110.3	K556 S557 F562 L563 Q564 T570 M572 K585 A586	K556-V560 WeakPolarHBondContact O-CG2 3.38Å; K556-V560 PolarHBondContact O-N 2.97Å; S557-V560 WeakPolarHBondContact O-CB 3.28Å; S557-V560 PolarHBondContact O-N 3.01Å; V560-F562 VanDerWaalsContact C-N 3.33Å; V560-F562 PolarHBondContact O-N 2.86Å; V560-L563 WeakPolarHBondContact O-CB 3.37Å; V560-L563 PolarHBondContact O-N 3.5Å; V560-Q564 HydrophobicContact CG1-CG 4.21Å; V560-Q564 VanDerWaalsContact O-CG 3.27Å; V560-Q564 WeakPolarHBondContact O-CG 3.44Å; V560-Q564 PolarHBondContact O-N 3.35Å; V560-T570 HydrophobicContact CG1-CG2 4.45Å; V560-T570 HydrophobicContact CG2-CG2 4.24Å; V560-M572 HydrophobicContact CG2-CB 4.46Å; V560-M572 HydrophobicContact CG2-SD 4.45Å; V560-K585 HydrophobicContact CG1-CB 4.33Å; V560-K585 HydrophobicContact CG1-CG 4.03Å; V560-A586 HydrophobicContact CG1-CB 4.02Å
561	E	93.2	Very high	91.3	Very high	106 Å²	106	28.7 Å²	28.7	50%	0.495	17%	0.165	S	C	.	.	H	α-helix	trans	-56.6	-43.5	178.2	-176.7	178.9	-163.1	0	0	112.7	S557 K558 Q564 S565	S557-E561 PolarHBondContact O-N 3.39Å; K558-E561 PolarHBondContact O-N 3.47Å; E561-Q564 PolarHBondContact O-N 3.03Å; E561-S565 PolarHBondContact O-N 2.94Å
562	F	95.4	Very high	91.7	Very high	29 Å²	29	28.4 Å²	28.4	13%	0.127	16%	0.164	C	C	.	.	H	α-helix	trans	-65.8	-40	175.3	-75.1	-54.3	0	0	0	112.5	F530 Q538 C542 K558 I559 V560 Q564 S565 H566	F530-F562 HydrophobicContact CE1-CE2 4.41Å; F530-F562 AromaticContact CZ-CD2 3.95Å; F530-F562 HydrophobicContact CZ-CD2 3.95Å; F530-F562 AromaticContact CZ-CE2 3.89Å; F530-F562 HydrophobicContact CZ-CE2 3.89Å; Q538-F562 HydrophobicContact CB-CD2 4.33Å; Q538-F562 HydrophobicContact CB-CE2 3.55Å; Q538-F562 HydrophobicContact CB-CZ 3.73Å; Q538-F562 HydrophobicContact CG-CE2 4.5Å; C542-F562 HydrophobicContact CB-CB 3.9Å; K558-F562 HydrophobicContact CD-CE2 4.2Å; K558-F562 HydrophobicContact CG-CD2 4.11Å; K558-F562 HydrophobicContact CG-CE2 3.71Å; K558-F562 HydrophobicContact CG-CZ 4.49Å; K558-F562 WeakPolarHBondContact O-CD2 3.39Å; K558-F562 PolarHBondContact O-N 2.73Å; I559-F562 PolarHBondContact O-N 3.36Å; V560-F562 VanDerWaalsContact C-N 3.33Å; V560-F562 PolarHBondContact O-N 2.86Å; F562-Q564 VanDerWaalsContact C-N 3.34Å; F562-S565 PolarHBondContact O-N 3.22Å; F562-S565 PolarHBondContact O-OG 3.42Å; F562-H566 PolarHBondContact O-N 3.24Å; F562-H566 PolarHBondContact O-ND1 3.11Å
563	L	95	Very high	92.3	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-62.4	-43.7	176.3	-68	168.4	0	0	0	111.2	V216 C218 R492 I494 C542 I559 V560 S565 H566 E568 T570	V216-L563 HydrophobicContact CG1-CD1 3.92Å; V216-L563 HydrophobicContact CG1-CD2 4.44Å; V216-L563 HydrophobicContact CG2-CD2 4.39Å; C218-L563 WeakPolarHBondContact SG-CD1 3.37Å; R492-L563 VanDerWaalsContact NH2-CD2 3.28Å; I494-L563 HydrophobicContact CD1-CD1 4.18Å; I494-L563 HydrophobicContact CD1-CD2 4.34Å; C542-L563 HydrophobicContact CB-CD2 4.39Å; C542-L563 WeakPolarHBondContact O-CD2 3.44Å; I559-L563 HydrophobicContact CG2-CD1 4Å; I559-L563 VanDerWaalsContact O-CG 3.32Å; I559-L563 WeakPolarHBondContact O-CG 3.31Å; I559-L563 PolarHBondContact O-N 3.43Å; V560-L563 WeakPolarHBondContact O-CB 3.37Å; V560-L563 PolarHBondContact O-N 3.5Å; L563-S565 VanDerWaalsContact C-N 3.31Å; L563-S565 PolarHBondContact O-N 3.15Å; L563-H566 WeakPolarHBondContact O-CB 3.48Å; L563-H566 PolarHBondContact O-N 3.16Å; L563-E568 HydrophobicContact CB-CB 4.39Å; L563-E568 WeakPolarHBondContact O-CB 3.45Å; L563-E568 PolarHBondContact O-N 2.96Å; L563-T570 WeakPolarHBondContact CB-OG1 3.43Å; L563-T570 HydrophobicContact CD1-CG2 3.84Å
564	Q	91.8	Very high	92.6	Very high	28 Å²	28	26.8 Å²	26.8	13%	0.131	16%	0.155	C	C	.	.	H	α-helix	trans	-58.5	-41.8	174.6	-68	179.3	-42	0	0	112	V560 E561 F562 H566 G567 K585 E587	V560-Q564 HydrophobicContact CG1-CG 4.21Å; V560-Q564 VanDerWaalsContact O-CG 3.27Å; V560-Q564 WeakPolarHBondContact O-CG 3.44Å; V560-Q564 PolarHBondContact O-N 3.35Å; E561-Q564 PolarHBondContact O-N 3.03Å; F562-Q564 VanDerWaalsContact C-N 3.34Å; Q564-H566 PolarHBondContact O-N 3.42Å; Q564-H566 VanDerWaalsContact O-N 3.12Å; Q564-G567 WeakPolarHBondContact O-CA 3.46Å; Q564-G567 PolarHBondContact O-N 2.7Å; Q564-K585 PolarHBondContact NE2-O 3.24Å; Q564-E587 VanDerWaalsContact CG-OE1 3.24Å; Q564-E587 WeakPolarHBondContact CG-OE1 3.44Å; Q564-E587 PolarHBondContact NE2-OE1 3.06Å
565	S	91.7	Very high	92.7	Very high	81 Å²	81	25.6 Å²	25.6	57%	0.566	14%	0.142	S	C	*	.	H	α-helix	trans	-61.9	-21.1	177.6	79.2	0	0	0	0	114	E561 F562 L563	E561-S565 PolarHBondContact O-N 2.94Å; F562-S565 PolarHBondContact O-N 3.22Å; F562-S565 PolarHBondContact O-OG 3.42Å; L563-S565 VanDerWaalsContact C-N 3.31Å; L563-S565 PolarHBondContact O-N 3.15Å
566	H	91.5	Very high	92.3	Very high	64 Å²	64	25.1 Å²	25.1	30%	0.296	14%	0.141	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-1	173.6	-64.8	101.1	0	0	0	113.5	S539 F562 L563 Q564 E568	S539-H566 PolarHBondContact O-CE1 3.4Å; S539-H566 PolarHBondContact OG-CE1 3.12Å; S539-H566 PolarHBondContact OG-NE2 3.28Å; F562-H566 PolarHBondContact O-N 3.24Å; F562-H566 PolarHBondContact O-ND1 3.11Å; L563-H566 WeakPolarHBondContact O-CB 3.48Å; L563-H566 PolarHBondContact O-N 3.16Å; Q564-H566 PolarHBondContact O-N 3.42Å; Q564-H566 VanDerWaalsContact O-N 3.12Å; H566-E568 VanDerWaalsContact C-N 3.34Å; H566-E568 HydrophobicContact CB-CG 4.13Å
567	G	89.5	Confident	92	Very high	47 Å²	47	25.7 Å²	25.7	49%	0.485	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	77.3	17.7	-174.8	0	0	0	0	0	114.1	Q564	Q564-G567 WeakPolarHBondContact O-CA 3.46Å; Q564-G567 PolarHBondContact O-N 2.7Å
568	E	93.2	Very high	91.6	Very high	54 Å²	54	25.4 Å²	25.4	25%	0.252	14%	0.142	S	C	.	.			trans	-81.7	126.4	175.2	-58.3	-76.5	-167.6	0	0	109.6	S215 V216 L563 H566 T570	S215-E568 VanDerWaalsContact CB-OE2 3.26Å; S215-E568 WeakPolarHBondContact CB-OE2 3.45Å; S215-E568 WeakPolarHBondContact OG-CA 3.5Å; S215-E568 WeakPolarHBondContact OG-CB 3.26Å; S215-E568 PolarHBondContact OG-OE2 2.89Å; V216-E568 HydrophobicContact CG2-CB 4.04Å; V216-E568 HydrophobicContact CG2-CG 4.21Å; L563-E568 HydrophobicContact CB-CB 4.39Å; L563-E568 WeakPolarHBondContact O-CB 3.45Å; L563-E568 PolarHBondContact O-N 2.96Å; H566-E568 VanDerWaalsContact C-N 3.34Å; H566-E568 HydrophobicContact CB-CG 4.13Å; E568-T570 PolarHBondContact O-N 2.91Å; E568-T570 PolarHBondContact O-OG1 3.22Å
569	I	93.9	Very high	91.4	Very high	12 Å²	12	22.4 Å²	22.4	6%	0.062	13%	0.129	C	C	.	.			trans	-76.8	114.5	169.4	-55.5	-59	0	0	0	108.4	P117 T210 C213 S215 V216 E587 P696	P117-I569 HydrophobicContact CG-CD1 3.9Å; T210-I569 HydrophobicContact CG2-CG2 3.96Å; C213-I569 HydrophobicContact CB-CB 4.44Å; C213-I569 HydrophobicContact CB-CG1 4.13Å; C213-I569 HydrophobicContact CB-CG2 4.28Å; C213-I569 WeakPolarHBondContact O-CB 3.44Å; S215-I569 PolarHBondContact N-O 2.86Å; S215-I569 PolarHBondContact OG-N 3.44Å; S215-I569 PolarHBondContact OG-O 3.47Å; V216-I569 PolarHBondContact N-O 3.22Å; I569-E587 HydrophobicContact CD1-CG 4.2Å; I569-E587 HydrophobicContact CG2-CB 4.04Å; I569-E587 HydrophobicContact CG2-CG 4.17Å; I569-P696 HydrophobicContact CD1-CB 4.27Å; I569-P696 HydrophobicContact CD1-CG 3.66Å; I569-P696 HydrophobicContact CG1-CG 3.65Å
570	T	95.1	Very high	91.2	Very high	0 Å²	0	22.4 Å²	22.4	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	126.2	-169.7	-55.1	0	0	0	0	110.4	V216 V560 L563 E568 E587 I588	V216-T570 WeakPolarHBondContact O-CA 3.41Å; V560-T570 HydrophobicContact CG1-CG2 4.45Å; V560-T570 HydrophobicContact CG2-CG2 4.24Å; L563-T570 WeakPolarHBondContact CB-OG1 3.43Å; L563-T570 HydrophobicContact CD1-CG2 3.84Å; E568-T570 PolarHBondContact O-N 2.91Å; E568-T570 PolarHBondContact O-OG1 3.22Å; T570-E587 PolarHBondContact N-OE2 3.35Å; T570-E587 PolarHBondContact O-N 3.47Å; T570-I588 PolarHBondContact O-N 3.37Å
571	A	95.6	Very high	91	Very high	1 Å²	1	22.4 Å²	22.4	1%	0.008	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	132.9	163.7	0	0	0	0	0	109.3	T214 V216 I217 C218 I588 I590	T214-A571 HydrophobicContact CG2-CB 3.67Å; V216-A571 PolarHBondContact O-N 3.49Å; I217-A571 CarbonylContact C-O 3.6Å; I217-A571 WeakPolarHBondContact CA-O 3.38Å; I217-A571 HydrophobicContact CG1-CB 4.27Å; C218-A571 PolarHBondContact N-O 3.25Å; A571-I588 CarbonylContact C-O 3.56Å; A571-I588 VanDerWaalsContact CA-O 3.28Å; A571-I588 WeakPolarHBondContact CA-O 3.41Å; A571-I588 HydrophobicContact CB-CB 4.16Å; A571-I590 HydrophobicContact CB-CD1 4.08Å
572	M	95.4	Very high	91	Very high	0 Å²	0	17.4 Å²	17.4	0%	0	11%	0.106	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	130.7	176.1	-178.6	67.1	-172.2	0	0	109.2	C218 I496 K556 V560 A582 L583 A586 I588 I590	C218-M572 HydrophobicContact CB-SD 3.4Å; C218-M572 WeakPolarHBondContact CB-SD 3.37Å; C218-M572 CarbonylContact O-C 3.54Å; C218-M572 VanDerWaalsContact O-CA 3.29Å; C218-M572 WeakPolarHBondContact O-CA 3.5Å; I496-M572 HydrophobicContact CD1-CE 4.18Å; I496-M572 HydrophobicContact CD1-SD 4.13Å; K556-M572 HydrophobicContact CB-CE 4.08Å; K556-M572 HydrophobicContact CD-CE 3.73Å; K556-M572 HydrophobicContact CG-CE 4.31Å; V560-M572 HydrophobicContact CG2-CB 4.46Å; V560-M572 HydrophobicContact CG2-SD 4.45Å; M572-A582 HydrophobicContact CE-CB 4.16Å; M572-A582 HydrophobicContact CG-CB 3.99Å; M572-A582 HydrophobicContact SD-CB 4.44Å; M572-L583 HydrophobicContact CB-CD2 4.44Å; M572-L583 HydrophobicContact CG-CD2 4.28Å; M572-L583 WeakPolarHBondContact O-CD2 3.48Å; M572-A586 HydrophobicContact CB-CB 3.65Å; M572-I588 PolarHBondContact N-O 3Å; M572-I590 PolarHBondContact O-N 3.5Å
573	T	93.8	Very high	90.9	Very high	0 Å²	0	16 Å²	16	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	148.9	172	81.6	0	0	0	0	111.6	I217 C218 S219 D220 T224 I590 I615	I217-T573 HydrophobicContact CG2-CG2 4.38Å; C218-T573 PolarHBondContact O-N 3.07Å; S219-T573 WeakPolarHBondContact CA-OG1 3.47Å; S219-T573 WeakPolarHBondContact CB-OG1 3.42Å; S219-T573 PolarHBondContact OG-OG1 3.21Å; D220-T573 PolarHBondContact N-OG1 3.18Å; T224-T573 HydrophobicContact CG2-CG2 4.48Å; T573-I590 CarbonylContact C-O 3.48Å; T573-I590 VanDerWaalsContact CA-O 3.23Å; T573-I590 WeakPolarHBondContact CA-O 3.31Å; T573-I590 HydrophobicContact CG2-CB 4.14Å; T573-I590 HydrophobicContact CG2-CD1 4.47Å; T573-I590 HydrophobicContact CG2-CG2 4.41Å; T573-I615 HydrophobicContact CG2-CD1 3.57Å
574	G	89.4	Confident	90.8	Very high	0 Å²	0	18.6 Å²	18.6	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-172.3	160.4	176.7	0	0	0	0	0	113.7	D579 I590 A591 M592	G574-D579 WeakPolarHBondContact CA-OD2 3.45Å; G574-I590 PolarHBondContact N-O 3.4Å; G574-A591 VanDerWaalsContact O-CA 3.31Å; G574-A591 WeakPolarHBondContact O-CA 3.23Å; G574-M592 PolarHBondContact O-N 2.86Å; G574-M592 VanDerWaalsContact O-N 3.16Å
575	D	85.7	Confident	90.8	Very high	25 Å²	25	20 Å²	20	13%	0.134	12%	0.116	C	C	.	.			trans	-125.2	-24.4	179.8	74.8	-36.3	0	0	0	112.2	D579 M592 T596 A599	D575-D579 PolarHBondContact N-OD2 3.26Å; D575-D579 VanDerWaalsContact N-OD2 3.17Å; D575-M592 HydrophobicContact CB-CB 3.9Å; D575-M592 HydrophobicContact CB-CG 3.75Å; D575-T596 WeakPolarHBondContact O-CB 3.46Å; D575-T596 WeakPolarHBondContact O-CG2 3.41Å; D575-T596 PolarHBondContact O-N 2.91Å; D575-T596 PolarHBondContact O-OG1 3.18Å; D575-A599 WeakPolarHBondContact O-CB 3.48Å
576	G	82.1	Confident	90.8	Very high	3 Å²	3	16.3 Å²	16.3	3%	0.031	9%	0.091	C	C	.	.	S	Bend	trans	-95.3	171.2	-172.5	0	0	0	0	0	114.9	N578 D579	G576-N578 VanDerWaalsContact C-N 3.25Å; G576-N578 WeakPolarHBondContact CA-OD1 3.35Å; G576-N578 PolarHBondContact O-N 3.09Å; G576-D579 PolarHBondContact N-OD2 3.03Å; G576-D579 VanDerWaalsContact N-OD2 3.14Å; G576-D579 PolarHBondContact O-N 3.3Å
577	V	85.8	Confident	90.9	Very high	17 Å²	17	14.9 Å²	14.9	10%	0.103	9%	0.085	C	C	.	.	G	3₁₀ helix	trans	-70.1	-29.5	174.9	-176.6	0	0	0	0	110.6	I48 I104 D579 A580 T596 V598	I48-V577 HydrophobicContact CB-CG2 4.26Å; I48-V577 HydrophobicContact CG2-CG2 4.5Å; I48-V577 WeakPolarHBondContact O-CB 3.28Å; I48-V577 PolarHBondContact O-N 3.47Å; I104-V577 HydrophobicContact CG2-CG1 4.33Å; V577-D579 PolarHBondContact O-N 3.43Å; V577-A580 WeakPolarHBondContact O-CB 3.44Å; V577-A580 PolarHBondContact O-N 3.41Å; V577-T596 HydrophobicContact CG2-CG2 4.41Å; V577-V598 HydrophobicContact CG1-CG1 4.18Å; V577-V598 HydrophobicContact CG2-CB 4.16Å; V577-V598 HydrophobicContact CG2-CG2 4.18Å
578	N	83.2	Confident	91.1	Very high	4 Å²	4	12.7 Å²	12.7	2%	0.021	6%	0.062	C	C	.	.	G	3₁₀ helix	trans	-59.8	-22.9	172.2	53.1	-69.5	0	0	0	114.5	I48 L49 P553 G576	I48-N578 PolarHBondContact O-N 3.28Å; I48-N578 PolarHBondContact O-OD1 2.91Å; L49-N578 WeakPolarHBondContact O-CB 3.39Å; P553-N578 HydrophobicContact CB-CB 4.29Å; P553-N578 HydrophobicContact CG-CB 3.83Å; G576-N578 VanDerWaalsContact C-N 3.25Å; G576-N578 WeakPolarHBondContact CA-OD1 3.35Å; G576-N578 PolarHBondContact O-N 3.09Å
579	D	89.6	Confident	91.1	Very high	0 Å²	0	10.1 Å²	10.1	0%	0	5%	0.05	C	C	.	.	G	3₁₀ helix	trans	-91.2	-16.2	-178.3	-55.5	-38.4	0	0	0	112.1	K556 G574 D575 G576 V577 P581 A582 L583	K556-D579 VanDerWaalsContact CD-OD1 3.25Å; K556-D579 WeakPolarHBondContact CD-OD1 3.35Å; K556-D579 VanDerWaalsContact CE-OD1 3.31Å; K556-D579 WeakPolarHBondContact CE-OD1 3.24Å; K556-D579 IonicContact NZ-OD1 3.06Å; K556-D579 PolarHBondContact NZ-OD1 2.8Å; G574-D579 WeakPolarHBondContact CA-OD2 3.45Å; D575-D579 PolarHBondContact N-OD2 3.26Å; D575-D579 VanDerWaalsContact N-OD2 3.17Å; G576-D579 PolarHBondContact N-OD2 3.03Å; G576-D579 VanDerWaalsContact N-OD2 3.14Å; G576-D579 PolarHBondContact O-N 3.3Å; V577-D579 PolarHBondContact O-N 3.43Å; D579-P581 VanDerWaalsContact C-CD 3.5Å; D579-A582 PolarHBondContact O-N 3.24Å; D579-L583 HydrophobicContact CB-CD1 3.96Å; D579-L583 HydrophobicContact CB-CG 4.15Å; D579-L583 WeakPolarHBondContact O-CB 3.44Å; D579-L583 VanDerWaalsContact O-CG 3.3Å; D579-L583 WeakPolarHBondContact O-CG 3.39Å; D579-L583 PolarHBondContact O-N 3.38Å
580	A	90.2	Very high	91.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-57.3	-39.1	-172.4	0	0	0	0	0	114.5	M108 V577 K584 V598 A602	M108-A580 HydrophobicContact CE-CB 3.75Å; M108-A580 HydrophobicContact CG-CB 4.26Å; M108-A580 HydrophobicContact SD-CB 3.45Å; M108-A580 WeakPolarHBondContact SD-CB 3.49Å; V577-A580 WeakPolarHBondContact O-CB 3.44Å; V577-A580 PolarHBondContact O-N 3.41Å; A580-K584 WeakPolarHBondContact O-CB 3.41Å; A580-K584 PolarHBondContact O-N 3.19Å; A580-K584 VanDerWaalsContact O-N 3.09Å; A580-V598 HydrophobicContact CB-CG1 3.93Å; A580-A602 HydrophobicContact CB-CB 4Å
581	P	90.6	Very high	91.2	Very high	0 Å²	0	9.5 Å²	9.5	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-63	-45.8	173.3	-21.3	33	0	0	0	112.6	I104 E107 M108 D579 K584 K585	I104-P581 HydrophobicContact CB-CG 4.46Å; I104-P581 HydrophobicContact CG2-CG 3.73Å; E107-P581 HydrophobicContact CB-CB 4.39Å; E107-P581 HydrophobicContact CG-CB 3.94Å; M108-P581 HydrophobicContact CG-CB 4.42Å; M108-P581 HydrophobicContact CG-CG 4.02Å; D579-P581 VanDerWaalsContact C-CD 3.5Å; P581-K584 PolarHBondContact O-N 2.83Å; P581-K585 WeakPolarHBondContact O-CB 3.32Å; P581-K585 PolarHBondContact O-N 3.5Å
582	A	92.9	Very high	90.9	Very high	1 Å²	1	9.5 Å²	9.5	1%	0.008	5%	0.046	C	C	.	.	H	α-helix	trans	-69.7	-38.7	-179	0	0	0	0	0	112.4	K556 M572 D579 K584 K585 A586	K556-A582 HydrophobicContact CB-CB 3.55Å; M572-A582 HydrophobicContact CE-CB 4.16Å; M572-A582 HydrophobicContact CG-CB 3.99Å; M572-A582 HydrophobicContact SD-CB 4.44Å; D579-A582 PolarHBondContact O-N 3.24Å; A582-K584 VanDerWaalsContact C-N 3.34Å; A582-K585 PolarHBondContact O-N 3.16Å; A582-A586 WeakPolarHBondContact O-CB 3.47Å; A582-A586 PolarHBondContact O-N 3.35Å
583	L	93.5	Very high	90.6	Very high	0 Å²	0	10.6 Å²	10.6	0%	0	6%	0.058	C	C	.	.	H	α-helix	trans	-58.3	-46.7	173.6	-73.9	172	0	0	0	111.1	M572 D579 G589 I590 A599 A602	M572-L583 HydrophobicContact CB-CD2 4.44Å; M572-L583 HydrophobicContact CG-CD2 4.28Å; M572-L583 WeakPolarHBondContact O-CD2 3.48Å; D579-L583 HydrophobicContact CB-CD1 3.96Å; D579-L583 HydrophobicContact CB-CG 4.15Å; D579-L583 WeakPolarHBondContact O-CB 3.44Å; D579-L583 VanDerWaalsContact O-CG 3.3Å; D579-L583 WeakPolarHBondContact O-CG 3.39Å; D579-L583 PolarHBondContact O-N 3.38Å; L583-G589 VanDerWaalsContact O-CA 3.29Å; L583-G589 WeakPolarHBondContact O-CA 3.43Å; L583-G589 PolarHBondContact O-N 3.34Å; L583-I590 WeakPolarHBondContact CD2-O 3.37Å; L583-A599 HydrophobicContact CD1-CB 3.93Å; L583-A602 HydrophobicContact CB-CB 4.27Å
584	K	91.6	Very high	90	Very high	54 Å²	54	14.5 Å²	14.5	24%	0.235	9%	0.085	C	C	.	.	H	α-helix	trans	-71.2	-31	179.6	-171.4	179.1	175.1	-163.8	0	112.9	M108 T111 T113 A580 P581 A582 A602	M108-K584 WeakPolarHBondContact O-CD 3.49Å; M108-K584 PolarHBondContact O-NZ 2.88Å; T111-K584 HydrophobicContact CG2-CG 4.25Å; T111-K584 VanDerWaalsContact O-CE 3.24Å; T111-K584 WeakPolarHBondContact O-CE 3.13Å; T111-K584 PolarHBondContact O-NZ 3.47Å; T113-K584 HydrophobicContact CG2-CG 4.35Å; A580-K584 WeakPolarHBondContact O-CB 3.41Å; A580-K584 PolarHBondContact O-N 3.19Å; A580-K584 VanDerWaalsContact O-N 3.09Å; P581-K584 PolarHBondContact O-N 2.83Å; A582-K584 VanDerWaalsContact C-N 3.34Å; K584-A602 HydrophobicContact CB-CB 4.48Å
585	K	92	Very high	89.7	Confident	56 Å²	56	14.8 Å²	14.8	24%	0.243	9%	0.088	C	C	.	.	H	α-helix	trans	-75.4	-37.3	-179.3	-172.6	68.2	-179.3	179.5	0	112.1	T111 V560 Q564 P581 A582	T111-K585 HydrophobicContact CG2-CB 3.87Å; T111-K585 HydrophobicContact CG2-CD 3.56Å; T111-K585 HydrophobicContact CG2-CG 4.33Å; V560-K585 HydrophobicContact CG1-CB 4.33Å; V560-K585 HydrophobicContact CG1-CG 4.03Å; Q564-K585 PolarHBondContact NE2-O 3.24Å; P581-K585 WeakPolarHBondContact O-CB 3.32Å; P581-K585 PolarHBondContact O-N 3.5Å; A582-K585 PolarHBondContact O-N 3.16Å
586	A	93.3	Very high	89.6	Confident	5 Å²	5	15.7 Å²	15.7	4%	0.041	10%	0.095	C	C	.	.	S	Bend	trans	-62.2	151	178.8	0	0	0	0	0	111	V560 M572 A582 I588	V560-A586 HydrophobicContact CG1-CB 4.02Å; M572-A586 HydrophobicContact CB-CB 3.65Å; A582-A586 WeakPolarHBondContact O-CB 3.47Å; A582-A586 PolarHBondContact O-N 3.35Å; A586-I588 PolarHBondContact O-N 3.24Å; A586-I588 VanDerWaalsContact O-N 3.15Å
587	E	92	Very high	89.9	Confident	34 Å²	34	19.4 Å²	19.4	16%	0.159	13%	0.125	C	C	.	.	S	Bend	trans	-59.2	-27.3	172.4	-70.1	73.1	-154	0	0	111.5	T210 Q564 I569 T570	T210-E587 HydrophobicContact CG2-CB 3.87Å; Q564-E587 VanDerWaalsContact CG-OE1 3.24Å; Q564-E587 WeakPolarHBondContact CG-OE1 3.44Å; Q564-E587 PolarHBondContact NE2-OE1 3.06Å; I569-E587 HydrophobicContact CD1-CG 4.2Å; I569-E587 HydrophobicContact CG2-CB 4.04Å; I569-E587 HydrophobicContact CG2-CG 4.17Å; T570-E587 PolarHBondContact N-OE2 3.35Å; T570-E587 PolarHBondContact O-N 3.47Å
588	I	93.6	Very high	90	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.6	98.2	178.9	-45.2	175.4	0	0	0	109.8	T210 L211 T214 T570 A571 M572 A586 I590	T210-I588 VanDerWaalsContact C-CD1 3.4Å; T210-I588 HydrophobicContact CG2-CD1 3.91Å; T210-I588 HydrophobicContact CG2-CG1 3.75Å; L211-I588 HydrophobicContact CB-CD1 4.05Å; L211-I588 HydrophobicContact CD1-CD1 3.86Å; L211-I588 HydrophobicContact CD1-CG2 3.51Å; L211-I588 HydrophobicContact CG-CD1 3.83Å; L211-I588 HydrophobicContact CG-CG2 4.4Å; L211-I588 VanDerWaalsContact N-CD1 3.26Å; T214-I588 WeakPolarHBondContact OG1-CD1 3.45Å; T570-I588 PolarHBondContact O-N 3.37Å; A571-I588 CarbonylContact C-O 3.56Å; A571-I588 VanDerWaalsContact CA-O 3.28Å; A571-I588 WeakPolarHBondContact CA-O 3.41Å; A571-I588 HydrophobicContact CB-CB 4.16Å; M572-I588 PolarHBondContact N-O 3Å; A586-I588 PolarHBondContact O-N 3.24Å; A586-I588 VanDerWaalsContact O-N 3.15Å; I588-I590 HydrophobicContact CG2-CD1 4.38Å; I588-I590 HydrophobicContact CG2-CG1 3.93Å
589	G	94.7	Very high	90.3	Very high	0 Å²	0	21 Å²	21	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	128.3	162.9	0	0	0	0	0	110.9	L583 A603 E604 M605	L583-G589 VanDerWaalsContact O-CA 3.29Å; L583-G589 WeakPolarHBondContact O-CA 3.43Å; L583-G589 PolarHBondContact O-N 3.34Å; G589-A603 WeakPolarHBondContact O-CB 3.39Å; G589-E604 WeakPolarHBondContact CA-OE2 3.43Å; G589-E604 PolarHBondContact N-OE2 3.12Å; G589-E604 PolarHBondContact O-N 2.9Å; G589-M605 PolarHBondContact O-N 2.95Å
590	I	95.8	Very high	90.4	Very high	0 Å²	0	23.6 Å²	23.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	111.8	177.4	-55.5	180	0	0	0	108.8	A571 M572 T573 G574 L583 I588 M605 L607 I615	A571-I590 HydrophobicContact CB-CD1 4.08Å; M572-I590 PolarHBondContact O-N 3.5Å; T573-I590 CarbonylContact C-O 3.48Å; T573-I590 VanDerWaalsContact CA-O 3.23Å; T573-I590 WeakPolarHBondContact CA-O 3.31Å; T573-I590 HydrophobicContact CG2-CB 4.14Å; T573-I590 HydrophobicContact CG2-CD1 4.47Å; T573-I590 HydrophobicContact CG2-CG2 4.41Å; G574-I590 PolarHBondContact N-O 3.4Å; L583-I590 WeakPolarHBondContact CD2-O 3.37Å; I588-I590 HydrophobicContact CG2-CD1 4.38Å; I588-I590 HydrophobicContact CG2-CG1 3.93Å; I590-M605 CarbonylContact C-O 3.56Å; I590-M605 WeakPolarHBondContact CA-O 3.07Å; I590-M605 HydrophobicContact CG1-CB 4.4Å; I590-L607 HydrophobicContact CG2-CD1 3.75Å; I590-L607 HydrophobicContact CG2-CD2 3.95Å; I590-L607 HydrophobicContact CG2-CG 3.61Å; I590-I615 HydrophobicContact CD1-CD1 4.06Å; I590-I615 HydrophobicContact CD1-CG1 4.13Å; I590-I615 HydrophobicContact CD1-CG2 3.78Å; I590-I615 HydrophobicContact CG2-CD1 4.28Å; I590-I615 HydrophobicContact CG2-CG1 4.36Å
591	A	93.9	Very high	90.5	Very high	0 Å²	0	27 Å²	27	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	147.6	177.1	0	0	0	0	0	112.6	G574 A599 K600 A603 M605 V606 L607	G574-A591 VanDerWaalsContact O-CA 3.31Å; G574-A591 WeakPolarHBondContact O-CA 3.23Å; A591-A599 HydrophobicContact CB-CB 4.36Å; A591-K600 HydrophobicContact CB-CB 4.37Å; A591-K600 HydrophobicContact CB-CG 3.98Å; A591-A603 HydrophobicContact CB-CB 3.56Å; A591-M605 PolarHBondContact N-O 3.45Å; A591-V606 HydrophobicContact CB-CG2 4.38Å; A591-V606 CarbonylContact O-C 3.57Å; A591-V606 VanDerWaalsContact O-CA 3.29Å; A591-V606 WeakPolarHBondContact O-CA 3.44Å; A591-L607 PolarHBondContact O-N 3.48Å
592	M	90.7	Very high	90.5	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	141.8	171.3	-54	-51	-74	0	0	110.9	G223 T224 G574 D575 S594 G595 K600 L607 D610	G223-M592 WeakPolarHBondContact O-CE 3.31Å; T224-M592 HydrophobicContact CG2-CE 4.06Å; T224-M592 HydrophobicContact CG2-SD 3.77Å; T224-M592 PolarHBondContact OG1-SD 3.39Å; T224-M592 VanDerWaalsContact OG1-SD 3.38Å; G574-M592 PolarHBondContact O-N 2.86Å; G574-M592 VanDerWaalsContact O-N 3.16Å; D575-M592 HydrophobicContact CB-CB 3.9Å; D575-M592 HydrophobicContact CB-CG 3.75Å; M592-S594 VanDerWaalsContact C-N 3.3Å; M592-S594 PolarHBondContact O-N 2.95Å; M592-G595 WeakPolarHBondContact O-CA 3.33Å; M592-G595 PolarHBondContact O-N 2.84Å; M592-K600 WeakPolarHBondContact O-CE 3.39Å; M592-L607 HydrophobicContact SD-CD1 4.06Å; M592-D610 WeakPolarHBondContact CB-OD1 3.41Å; M592-D610 VanDerWaalsContact CE-C 3.47Å; M592-D610 HydrophobicContact CE-CB 3.44Å; M592-D610 VanDerWaalsContact CE-CB 3.44Å; M592-D610 VanDerWaalsContact CE-O 3.29Å; M592-D610 WeakPolarHBondContact CE-O 3.39Å
593	G	88	Confident	90.6	Very high	23 Å²	23	27.5 Å²	27.5	24%	0.237	17%	0.174	C	C	.	.	S	Bend	trans	-65.1	-30.8	175.1	0	0	0	0	0	112.8	G595 K600 L607 D610	G593-G595 VanDerWaalsContact C-N 3.33Å; G593-K600 WeakPolarHBondContact O-CE 3.4Å; G593-K600 PolarHBondContact O-NZ 2.89Å; G593-L607 WeakPolarHBondContact CA-O 3.44Å; G593-L607 PolarHBondContact N-O 3.36Å; G593-D610 WeakPolarHBondContact CA-OD1 3.43Å; G593-D610 PolarHBondContact N-OD1 2.88Å
594	S	82.4	Confident	90.5	Very high	82 Å²	82	29.2 Å²	29.2	57%	0.573	18%	0.182	S	C	*	.	S	Bend	trans	-82.6	-10.1	166.5	59.2	0	0	0	0	114	M592 D610	M592-S594 VanDerWaalsContact C-N 3.3Å; M592-S594 PolarHBondContact O-N 2.95Å; S594-D610 WeakPolarHBondContact CB-OD2 3.46Å; S594-D610 PolarHBondContact N-OD1 3.26Å; S594-D610 PolarHBondContact N-OD2 3.14Å; S594-D610 VanDerWaalsContact OG-CG 3.24Å; S594-D610 PolarHBondContact OG-OD1 3.28Å; S594-D610 PolarHBondContact OG-OD2 3.17Å
595	G	81.4	Confident	90.7	Very high	7 Å²	7	26.7 Å²	26.7	7%	0.072	17%	0.171	C	C	.	.	S	Bend	trans	-63.8	167.6	-177.9	0	0	0	0	0	114.4	M592 G593 K600	M592-G595 WeakPolarHBondContact O-CA 3.33Å; M592-G595 PolarHBondContact O-N 2.84Å; G593-G595 VanDerWaalsContact C-N 3.33Å; G595-K600 WeakPolarHBondContact O-CE 3.49Å; G595-K600 PolarHBondContact O-NZ 3.34Å
596	T	84.3	Confident	90.9	Very high	44 Å²	44	24.7 Å²	24.7	27%	0.27	16%	0.163	S	C	.	.			trans	-61	150.7	179.1	64.8	0	0	0	0	111.6	D575 V577 V598 A599 K600	D575-T596 WeakPolarHBondContact O-CB 3.46Å; D575-T596 WeakPolarHBondContact O-CG2 3.41Å; D575-T596 PolarHBondContact O-N 2.91Å; D575-T596 PolarHBondContact O-OG1 3.18Å; V577-T596 HydrophobicContact CG2-CG2 4.41Å; T596-V598 PolarHBondContact O-N 3.26Å; T596-A599 PolarHBondContact O-N 3Å; T596-A599 WeakPolarHBondContact OG1-CB 3.48Å; T596-A599 PolarHBondContact OG1-N 3.03Å; T596-K600 PolarHBondContact O-N 3.48Å; T596-K600 VanDerWaalsContact O-N 3.08Å
597	A	87.8	Confident	90.9	Very high	81 Å²	81	24.4 Å²	24.4	67%	0.669	16%	0.161	S	C	*	.	H	α-helix	trans	-59.5	-29.6	175.9	0	0	0	0	0	112.4	S601	A597-S601 VanDerWaalsContact O-CB 3.31Å; A597-S601 WeakPolarHBondContact O-CB 3.41Å; A597-S601 PolarHBondContact O-N 2.65Å; A597-S601 PolarHBondContact O-OG 2.84Å
598	V	88.2	Confident	90.9	Very high	53 Å²	53	25.3 Å²	25.3	32%	0.321	18%	0.175	S	C	.	.	H	α-helix	trans	-68.2	-49.5	177.4	-174.7	0	0	0	0	110.7	M108 V577 A580 T596 K600 S601 A602	M108-V598 HydrophobicContact CE-CG1 4.37Å; M108-V598 HydrophobicContact SD-CG1 4.38Å; V577-V598 HydrophobicContact CG1-CG1 4.18Å; V577-V598 HydrophobicContact CG2-CB 4.16Å; V577-V598 HydrophobicContact CG2-CG2 4.18Å; A580-V598 HydrophobicContact CB-CG1 3.93Å; T596-V598 PolarHBondContact O-N 3.26Å; V598-K600 VanDerWaalsContact C-N 3.34Å; V598-K600 PolarHBondContact O-N 3.39Å; V598-S601 WeakPolarHBondContact CA-OG 3.35Å; V598-S601 PolarHBondContact O-N 2.6Å; V598-S601 VanDerWaalsContact O-N 3.11Å; V598-S601 PolarHBondContact O-OG 2.91Å; V598-A602 PolarHBondContact O-N 2.84Å
599	A	89.3	Confident	90.6	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	19%	0.189	C	C	.	.	H	α-helix	trans	-55.8	-49.2	175.1	0	0	0	0	0	111.1	D575 L583 A591 T596 S601 A602 A603	D575-A599 WeakPolarHBondContact O-CB 3.48Å; L583-A599 HydrophobicContact CD1-CB 3.93Å; A591-A599 HydrophobicContact CB-CB 4.36Å; T596-A599 PolarHBondContact O-N 3Å; T596-A599 WeakPolarHBondContact OG1-CB 3.48Å; T596-A599 PolarHBondContact OG1-N 3.03Å; A599-S601 VanDerWaalsContact C-N 3.29Å; A599-S601 PolarHBondContact O-N 3.03Å; A599-A602 PolarHBondContact O-N 3.43Å; A599-A602 VanDerWaalsContact O-N 3.13Å; A599-A603 WeakPolarHBondContact O-CB 3.31Å; A599-A603 PolarHBondContact O-N 3.11Å; A599-A603 VanDerWaalsContact O-N 3.17Å
600	K	92.5	Very high	90.2	Very high	56 Å²	56	29 Å²	29	24%	0.243	20%	0.195	C	C	.	.	H	α-helix	trans	-58.2	-39.9	176.7	-69	170.9	-177.6	154.3	0	112.8	R203 A591 M592 G593 G595 T596 V598 A602 V606	R203-K600 VanDerWaalsContact NH1-C 3.29Å; R203-K600 PolarHBondContact NH1-O 3.04Å; A591-K600 HydrophobicContact CB-CB 4.37Å; A591-K600 HydrophobicContact CB-CG 3.98Å; M592-K600 WeakPolarHBondContact O-CE 3.39Å; G593-K600 WeakPolarHBondContact O-CE 3.4Å; G593-K600 PolarHBondContact O-NZ 2.89Å; G595-K600 WeakPolarHBondContact O-CE 3.49Å; G595-K600 PolarHBondContact O-NZ 3.34Å; T596-K600 PolarHBondContact O-N 3.48Å; T596-K600 VanDerWaalsContact O-N 3.08Å; V598-K600 VanDerWaalsContact C-N 3.34Å; V598-K600 PolarHBondContact O-N 3.39Å; K600-A602 VanDerWaalsContact C-N 3.33Å; K600-V606 HydrophobicContact CB-CG2 4.28Å; K600-V606 HydrophobicContact CD-CG1 4.44Å; K600-V606 HydrophobicContact CG-CG1 4.13Å; K600-V606 HydrophobicContact CG-CG2 4.23Å
601	S	91.2	Very high	89.7	Confident	70 Å²	70	30.4 Å²	30.4	49%	0.49	20%	0.202	S	C	.	.	H	α-helix	trans	-68.5	-29.3	178.8	72.6	0	0	0	0	114.2	R203 A597 V598 A599	R203-S601 VanDerWaalsContact NH1-CA 3.28Å; A597-S601 VanDerWaalsContact O-CB 3.31Å; A597-S601 WeakPolarHBondContact O-CB 3.41Å; A597-S601 PolarHBondContact O-N 2.65Å; A597-S601 PolarHBondContact O-OG 2.84Å; V598-S601 WeakPolarHBondContact CA-OG 3.35Å; V598-S601 PolarHBondContact O-N 2.6Å; V598-S601 VanDerWaalsContact O-N 3.11Å; V598-S601 PolarHBondContact O-OG 2.91Å; A599-S601 VanDerWaalsContact C-N 3.29Å; A599-S601 PolarHBondContact O-N 3.03Å
602	A	91.7	Very high	89.5	Confident	8 Å²	8	30.4 Å²	30.4	7%	0.066	20%	0.202	C	C	.	.	H	α-helix	trans	-86.9	-11.7	179.5	0	0	0	0	0	113.5	M108 A580 L583 K584 V598 A599 K600	M108-A602 HydrophobicContact CE-CB 3.98Å; A580-A602 HydrophobicContact CB-CB 4Å; L583-A602 HydrophobicContact CB-CB 4.27Å; K584-A602 HydrophobicContact CB-CB 4.48Å; V598-A602 PolarHBondContact O-N 2.84Å; A599-A602 PolarHBondContact O-N 3.43Å; A599-A602 VanDerWaalsContact O-N 3.13Å; K600-A602 VanDerWaalsContact C-N 3.33Å
603	A	93.7	Very high	89.4	Confident	4 Å²	4	31.8 Å²	31.8	3%	0.033	21%	0.212	C	C	.	.			trans	-100.8	146.1	-174.8	0	0	0	0	0	112.9	R203 G589 A591 A599	R203-A603 WeakPolarHBondContact CD-O 3.44Å; G589-A603 WeakPolarHBondContact O-CB 3.39Å; A591-A603 HydrophobicContact CB-CB 3.56Å; A599-A603 WeakPolarHBondContact O-CB 3.31Å; A599-A603 PolarHBondContact O-N 3.11Å; A599-A603 VanDerWaalsContact O-N 3.17Å
604	E	93.3	Very high	89.7	Confident	37 Å²	37	31.1 Å²	31.1	17%	0.173	20%	0.203	C	C	.	.	S	Bend	trans	-78.5	-25.5	173.2	-72.9	62.5	-134.9	0	0	112.4	R203 S207 G589	R203-E604 WeakPolarHBondContact CB-O 2.95Å; R203-E604 PolarHBondContact N-O 3.44Å; S207-E604 WeakPolarHBondContact OG-CB 2.99Å; S207-E604 VanDerWaalsContact OG-CG 3.24Å; S207-E604 WeakPolarHBondContact OG-CG 3.25Å; G589-E604 WeakPolarHBondContact CA-OE2 3.43Å; G589-E604 PolarHBondContact N-OE2 3.12Å; G589-E604 PolarHBondContact O-N 2.9Å
605	M	94.7	Very high	90.2	Very high	1 Å²	1	27.2 Å²	27.2	1%	0.005	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	145.1	178.7	-179.5	-180	-77.3	0	0	111.3	M195 A200 I201 V202 L211 G589 I590 A591 L607 A618	M195-M605 HydrophobicContact SD-CE 4.08Å; A200-M605 HydrophobicContact CB-CE 4.23Å; A200-M605 HydrophobicContact CB-SD 4.13Å; I201-M605 CarbonylContact O-C 3.52Å; I201-M605 WeakPolarHBondContact O-CA 3.38Å; V202-M605 HydrophobicContact CG2-CE 3.79Å; L211-M605 HydrophobicContact CD1-CE 3.26Å; L211-M605 HydrophobicContact CD1-SD 4.1Å; L211-M605 HydrophobicContact CD2-CE 3.74Å; L211-M605 HydrophobicContact CD2-SD 4.37Å; L211-M605 HydrophobicContact CG-CE 4.17Å; G589-M605 PolarHBondContact O-N 2.95Å; I590-M605 CarbonylContact C-O 3.56Å; I590-M605 WeakPolarHBondContact CA-O 3.07Å; I590-M605 HydrophobicContact CG1-CB 4.4Å; A591-M605 PolarHBondContact N-O 3.45Å; M605-L607 HydrophobicContact CG-CD2 4.49Å; M605-L607 HydrophobicContact SD-CD2 4.13Å; M605-A618 HydrophobicContact CE-CB 3.75Å; M605-A618 HydrophobicContact SD-CB 4.13Å
606	V	95.5	Very high	90.7	Very high	13 Å²	13	27.1 Å²	27.1	8%	0.079	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	127.6	172.9	-174.6	0	0	0	0	109.9	I201 A591 K600 A608	I201-V606 HydrophobicContact CB-CB 4.32Å; I201-V606 PolarHBondContact N-O 3.27Å; I201-V606 PolarHBondContact O-N 3.32Å; A591-V606 HydrophobicContact CB-CG2 4.38Å; A591-V606 CarbonylContact O-C 3.57Å; A591-V606 VanDerWaalsContact O-CA 3.29Å; A591-V606 WeakPolarHBondContact O-CA 3.44Å; K600-V606 HydrophobicContact CB-CG2 4.28Å; K600-V606 HydrophobicContact CD-CG1 4.44Å; K600-V606 HydrophobicContact CG-CG1 4.13Å; K600-V606 HydrophobicContact CG-CG2 4.23Å; V606-A608 PolarHBondContact O-N 2.95Å
607	L	94.1	Very high	91.1	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	104.7	176.2	-53.8	178.8	0	0	0	109.5	I590 A591 M592 G593 M605 D609 D610 T614 I615	I590-L607 HydrophobicContact CG2-CD1 3.75Å; I590-L607 HydrophobicContact CG2-CD2 3.95Å; I590-L607 HydrophobicContact CG2-CG 3.61Å; A591-L607 PolarHBondContact O-N 3.48Å; M592-L607 HydrophobicContact SD-CD1 4.06Å; G593-L607 WeakPolarHBondContact CA-O 3.44Å; G593-L607 PolarHBondContact N-O 3.36Å; M605-L607 HydrophobicContact CG-CD2 4.49Å; M605-L607 HydrophobicContact SD-CD2 4.13Å; L607-D609 PolarHBondContact O-N 3.02Å; L607-D610 PolarHBondContact O-N 2.64Å; L607-T614 HydrophobicContact CD2-CG2 3.82Å; L607-I615 HydrophobicContact CD1-CD1 3.94Å; L607-I615 HydrophobicContact CD1-CG1 3.66Å; L607-I615 HydrophobicContact CD2-CG1 4.03Å; L607-I615 HydrophobicContact CG-CG1 4.45Å
608	A	91.8	Very high	91.4	Very high	53 Å²	53	23.5 Å²	23.5	44%	0.438	15%	0.145	S	C	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-21.9	-174.9	0	0	0	0	0	113.7	N199 I201 V606	N199-A608 HydrophobicContact CB-CB 4.14Å; N199-A608 WeakPolarHBondContact O-CB 3.43Å; N199-A608 PolarHBondContact O-N 2.84Å; I201-A608 HydrophobicContact CD1-CB 4Å; I201-A608 HydrophobicContact CG1-CB 4.36Å; V606-A608 PolarHBondContact O-N 2.95Å
609	D	88.7	Confident	91.7	Very high	54 Å²	54	21 Å²	21	29%	0.289	13%	0.13	S	C	.	.	T	Hydrogen-bonded Turn	trans	-109	4.9	-177.5	60.7	-2.6	0	0	0	114.2	N199 L607 N611 T614	N199-D609 HydrophobicContact CB-CB 4.03Å; N199-D609 WeakPolarHBondContact CB-OD2 3.31Å; N199-D609 PolarHBondContact ND2-OD2 3.2Å; L607-D609 PolarHBondContact O-N 3.02Å; D609-N611 PolarHBondContact O-N 2.82Å; D609-N611 VanDerWaalsContact O-N 3.17Å; D609-N611 PolarHBondContact OD1-N 2.77Å; D609-T614 PolarHBondContact OD1-OG1 3.41Å; D609-T614 VanDerWaalsContact OD1-OG1 3.1Å; D609-T614 PolarHBondContact OD2-OG1 2.71Å
610	D	85.5	Confident	91.8	Very high	24 Å²	24	24.3 Å²	24.3	13%	0.128	15%	0.145	C	C	.	.			trans	55	27.9	-177.6	-60.3	-28.6	0	0	0	114.6	R476 M592 G593 S594 L607	R476-D610 PolarHBondContact NE-O 2.89Å; R476-D610 PolarHBondContact NH2-O 3.44Å; M592-D610 WeakPolarHBondContact CB-OD1 3.41Å; M592-D610 VanDerWaalsContact CE-C 3.47Å; M592-D610 HydrophobicContact CE-CB 3.44Å; M592-D610 VanDerWaalsContact CE-CB 3.44Å; M592-D610 VanDerWaalsContact CE-O 3.29Å; M592-D610 WeakPolarHBondContact CE-O 3.39Å; G593-D610 WeakPolarHBondContact CA-OD1 3.43Å; G593-D610 PolarHBondContact N-OD1 2.88Å; S594-D610 WeakPolarHBondContact CB-OD2 3.46Å; S594-D610 PolarHBondContact N-OD1 3.26Å; S594-D610 PolarHBondContact N-OD2 3.14Å; S594-D610 VanDerWaalsContact OG-CG 3.24Å; S594-D610 PolarHBondContact OG-OD1 3.28Å; S594-D610 PolarHBondContact OG-OD2 3.17Å; L607-D610 PolarHBondContact O-N 2.64Å
611	N	85.2	Confident	91.8	Very high	28 Å²	28	22.5 Å²	22.5	15%	0.15	14%	0.137	C	C	.	.			trans	-104.9	125.1	-172.8	-164.5	-28.1	0	0	0	112.2	E478 D609 S613 T614	E478-N611 WeakPolarHBondContact CG-OD1 2.91Å; E478-N611 PolarHBondContact OE1-ND2 3.48Å; E478-N611 PolarHBondContact OE1-OD1 3.4Å; D609-N611 PolarHBondContact O-N 2.82Å; D609-N611 VanDerWaalsContact O-N 3.17Å; D609-N611 PolarHBondContact OD1-N 2.77Å; N611-S613 PolarHBondContact ND2-OG 3.29Å; N611-S613 PolarHBondContact O-N 3.21Å; N611-S613 WeakPolarHBondContact OD1-CB 3.47Å; N611-S613 PolarHBondContact OD1-N 3.26Å; N611-S613 PolarHBondContact OD1-OG 3.11Å; N611-T614 VanDerWaalsContact O-CB 3.22Å; N611-T614 WeakPolarHBondContact O-CB 3.45Å; N611-T614 PolarHBondContact O-N 2.94Å; N611-T614 VanDerWaalsContact O-N 3.13Å; N611-T614 PolarHBondContact O-OG1 2.66Å
612	F	88.9	Confident	91.9	Very high	0 Å²	0	19.1 Å²	19.1	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-61.6	-32.1	176.2	-172.5	-92.9	0	0	0	112.7	I217 T224 L225 V479 I483 V493 T614 I615 V616	I217-F612 HydrophobicContact CG2-CE2 3.95Å; I217-F612 HydrophobicContact CG2-CZ 4.19Å; T224-F612 HydrophobicContact CG2-CD2 4.49Å; L225-F612 HydrophobicContact CD2-CD2 3.69Å; L225-F612 HydrophobicContact CD2-CE2 3.98Å; L225-F612 HydrophobicContact CD2-CG 4.07Å; V479-F612 HydrophobicContact CG2-CB 3.83Å; V479-F612 HydrophobicContact CG2-CG 4.45Å; I483-F612 HydrophobicContact CG1-CE1 4.22Å; V493-F612 HydrophobicContact CG1-CZ 4.25Å; V493-F612 HydrophobicContact CG2-CZ 4.29Å; F612-T614 PolarHBondContact O-N 2.82Å; F612-I615 HydrophobicContact CD2-CD1 3.74Å; F612-I615 HydrophobicContact CE2-CD1 3.99Å; F612-I615 HydrophobicContact CG-CD1 4.44Å; F612-I615 VanDerWaalsContact O-CB 3.28Å; F612-I615 WeakPolarHBondContact O-CB 3.37Å; F612-I615 PolarHBondContact O-N 3.37Å; F612-V616 HydrophobicContact CE1-CG2 4.49Å
613	S	89	Confident	91.9	Very high	30 Å²	30	19.6 Å²	19.6	21%	0.21	11%	0.114	C	C	.	.	H	α-helix	trans	-61.5	-28.2	176.4	63.6	0	0	0	0	113	S482 N611 I615 V616 C617	S482-S613 VanDerWaalsContact OG-CA 3.32Å; S482-S613 WeakPolarHBondContact OG-CA 3.47Å; S482-S613 VanDerWaalsContact OG-CB 3.31Å; S482-S613 WeakPolarHBondContact OG-CB 3.43Å; N611-S613 PolarHBondContact ND2-OG 3.29Å; N611-S613 PolarHBondContact O-N 3.21Å; N611-S613 WeakPolarHBondContact OD1-CB 3.47Å; N611-S613 PolarHBondContact OD1-N 3.26Å; N611-S613 PolarHBondContact OD1-OG 3.11Å; S613-I615 PolarHBondContact O-N 3.17Å; S613-V616 WeakPolarHBondContact O-CB 3.35Å; S613-V616 PolarHBondContact O-N 2.84Å; S613-V616 VanDerWaalsContact O-N 3.16Å; S613-C617 PolarHBondContact O-N 3.13Å; S613-C617 PolarHBondContact O-SG 3.02Å
614	T	93.6	Very high	91.6	Very high	8 Å²	8	19.6 Å²	19.6	5%	0.049	11%	0.114	C	C	.	.	H	α-helix	trans	-62.6	-31.9	174.2	-58.1	0	0	0	0	111.9	K198 N199 A200 L607 D609 N611 F612 C617 A618	K198-T614 WeakPolarHBondContact O-CG2 3.21Å; N199-T614 HydrophobicContact CB-CG2 4.44Å; A200-T614 HydrophobicContact CB-CG2 3.82Å; L607-T614 HydrophobicContact CD2-CG2 3.82Å; D609-T614 PolarHBondContact OD1-OG1 3.41Å; D609-T614 VanDerWaalsContact OD1-OG1 3.1Å; D609-T614 PolarHBondContact OD2-OG1 2.71Å; N611-T614 VanDerWaalsContact O-CB 3.22Å; N611-T614 WeakPolarHBondContact O-CB 3.45Å; N611-T614 PolarHBondContact O-N 2.94Å; N611-T614 VanDerWaalsContact O-N 3.13Å; N611-T614 PolarHBondContact O-OG1 2.66Å; F612-T614 PolarHBondContact O-N 2.82Å; T614-C617 PolarHBondContact O-N 3.39Å; T614-A618 VanDerWaalsContact O-CB 3.32Å; T614-A618 WeakPolarHBondContact O-CB 3.31Å; T614-A618 PolarHBondContact O-N 3Å
615	I	93.6	Very high	91.5	Very high	1 Å²	1	17.8 Å²	17.8	1%	0.005	11%	0.106	C	C	.	.	H	α-helix	trans	-64.2	-46.1	174.4	-55.6	176.6	0	0	0	109.9	I217 T573 I590 L607 F612 S613 C617 A618 V619	I217-I615 HydrophobicContact CD1-CG2 3.98Å; T573-I615 HydrophobicContact CG2-CD1 3.57Å; I590-I615 HydrophobicContact CD1-CD1 4.06Å; I590-I615 HydrophobicContact CD1-CG1 4.13Å; I590-I615 HydrophobicContact CD1-CG2 3.78Å; I590-I615 HydrophobicContact CG2-CD1 4.28Å; I590-I615 HydrophobicContact CG2-CG1 4.36Å; L607-I615 HydrophobicContact CD1-CD1 3.94Å; L607-I615 HydrophobicContact CD1-CG1 3.66Å; L607-I615 HydrophobicContact CD2-CG1 4.03Å; L607-I615 HydrophobicContact CG-CG1 4.45Å; F612-I615 HydrophobicContact CD2-CD1 3.74Å; F612-I615 HydrophobicContact CE2-CD1 3.99Å; F612-I615 HydrophobicContact CG-CD1 4.44Å; F612-I615 VanDerWaalsContact O-CB 3.28Å; F612-I615 WeakPolarHBondContact O-CB 3.37Å; F612-I615 PolarHBondContact O-N 3.37Å; S613-I615 PolarHBondContact O-N 3.17Å; I615-C617 VanDerWaalsContact C-N 3.34Å; I615-C617 PolarHBondContact O-N 3.45Å; I615-A618 PolarHBondContact O-N 2.99Å; I615-A618 VanDerWaalsContact O-N 3.12Å; I615-V619 HydrophobicContact CG2-CG2 4.47Å; I615-V619 WeakPolarHBondContact O-CG2 3.14Å; I615-V619 PolarHBondContact O-N 2.73Å
616	V	92.9	Very high	91.1	Very high	5 Å²	5	18.7 Å²	18.7	3%	0.03	11%	0.109	C	C	.	.	H	α-helix	trans	-60.7	-46	179.3	-174.5	0	0	0	0	110.6	E485 F612 S613 A618 V619 E620 M689	E485-V616 HydrophobicContact CB-CG1 4.11Å; F612-V616 HydrophobicContact CE1-CG2 4.49Å; S613-V616 WeakPolarHBondContact O-CB 3.35Å; S613-V616 PolarHBondContact O-N 2.84Å; S613-V616 VanDerWaalsContact O-N 3.16Å; V616-A618 VanDerWaalsContact C-N 3.27Å; V616-A618 PolarHBondContact O-N 3.17Å; V616-V619 PolarHBondContact O-N 2.97Å; V616-V619 VanDerWaalsContact O-N 3.17Å; V616-E620 PolarHBondContact O-N 2.77Å; V616-M689 HydrophobicContact CG1-CE 3.66Å
617	C	92.2	Very high	90.6	Very high	45 Å²	45	19.5 Å²	19.5	30%	0.304	12%	0.116	S	C	.	.	H	α-helix	trans	-61.7	-35	176.2	-70	0	0	0	0	112.5	K198 S613 T614 I615 E621	K198-C617 HydrophobicContact CD-CB 4.29Å; S613-C617 PolarHBondContact O-N 3.13Å; S613-C617 PolarHBondContact O-SG 3.02Å; T614-C617 PolarHBondContact O-N 3.39Å; I615-C617 VanDerWaalsContact C-N 3.34Å; I615-C617 PolarHBondContact O-N 3.45Å; C617-E621 WeakPolarHBondContact O-CB 3.28Å; C617-E621 PolarHBondContact O-N 3.44Å; C617-E621 VanDerWaalsContact O-N 3.11Å
618	A	93.9	Very high	90.3	Very high	3 Å²	3	19.7 Å²	19.7	3%	0.025	12%	0.116	C	C	.	.	H	α-helix	trans	-74.8	-33.6	177.4	0	0	0	0	0	111.8	M195 A200 L211 M605 T614 I615 V616 E621 G622	M195-A618 HydrophobicContact SD-CB 4.42Å; A200-A618 HydrophobicContact CB-CB 4.11Å; L211-A618 HydrophobicContact CD2-CB 3.34Å; L211-A618 WeakPolarHBondContact CD2-O 3.41Å; M605-A618 HydrophobicContact CE-CB 3.75Å; M605-A618 HydrophobicContact SD-CB 4.13Å; T614-A618 VanDerWaalsContact O-CB 3.32Å; T614-A618 WeakPolarHBondContact O-CB 3.31Å; T614-A618 PolarHBondContact O-N 3Å; I615-A618 PolarHBondContact O-N 2.99Å; I615-A618 VanDerWaalsContact O-N 3.12Å; V616-A618 VanDerWaalsContact C-N 3.27Å; V616-A618 PolarHBondContact O-N 3.17Å; A618-E621 PolarHBondContact O-N 3.39Å; A618-G622 PolarHBondContact O-N 3.31Å
619	V	94.3	Very high	90.1	Very high	1 Å²	1	17.1 Å²	17.1	1%	0.006	10%	0.095	C	C	.	.	H	α-helix	trans	-66.1	-45.7	173.6	171.3	0	0	0	0	110.2	L211 I491 I615 V616 E621 G622 R623	L211-V619 HydrophobicContact CD2-CB 4.48Å; L211-V619 HydrophobicContact CD2-CG2 3.85Å; L211-V619 HydrophobicContact CG-CG2 4.41Å; I491-V619 HydrophobicContact CD1-CG1 3.69Å; I615-V619 HydrophobicContact CG2-CG2 4.47Å; I615-V619 WeakPolarHBondContact O-CG2 3.14Å; I615-V619 PolarHBondContact O-N 2.73Å; V616-V619 PolarHBondContact O-N 2.97Å; V616-V619 VanDerWaalsContact O-N 3.17Å; V619-E621 VanDerWaalsContact C-N 3.33Å; V619-E621 PolarHBondContact O-N 2.98Å; V619-G622 PolarHBondContact O-N 3.29Å; V619-R623 HydrophobicContact CG1-CG 4.48Å; V619-R623 WeakPolarHBondContact O-CG 3.4Å; V619-R623 PolarHBondContact O-N 3.09Å
620	E	92.6	Very high	89.9	Confident	69 Å²	69	15.7 Å²	15.7	32%	0.322	9%	0.087	S	C	.	.	H	α-helix	trans	-54.9	-49.4	174.1	-175.3	-169.4	179.5	0	0	111	V616 G622 R623 A624 I688 M689	V616-E620 PolarHBondContact O-N 2.77Å; E620-G622 VanDerWaalsContact C-N 3.34Å; E620-G622 PolarHBondContact O-N 2.85Å; E620-R623 PolarHBondContact O-N 3.02Å; E620-A624 PolarHBondContact O-N 2.85Å; E620-I688 HydrophobicContact CG-CG2 3.84Å; E620-M689 HydrophobicContact CB-CG 4.15Å; E620-M689 HydrophobicContact CB-SD 3.81Å; E620-M689 HydrophobicContact CG-CG 3.95Å; E620-M689 HydrophobicContact CG-SD 4.21Å
621	E	91.6	Very high	89.9	Confident	18 Å²	18	15.3 Å²	15.3	8%	0.084	8%	0.084	C	C	.	.	H	α-helix	trans	-64.4	-38.3	178.4	-165.2	77.3	-150.2	0	0	111.8	R194 M195 K198 C617 A618 V619 A624 I625	R194-E621 WeakPolarHBondContact CD-OE1 3.45Å; R194-E621 IonicContact CZ-OE1 2.77Å; R194-E621 IonicContact NE-OE1 2.71Å; R194-E621 PolarHBondContact NE-OE1 3.46Å; R194-E621 IonicContact NH1-OE1 3.74Å; R194-E621 PolarHBondContact NH1-OE1 2.92Å; R194-E621 IonicContact NH2-OE1 3.89Å; M195-E621 HydrophobicContact CE-CB 4Å; M195-E621 HydrophobicContact CE-CG 4.01Å; M195-E621 HydrophobicContact CG-CB 4.31Å; M195-E621 HydrophobicContact CG-CG 3.99Å; K198-E621 IonicContact NZ-OE2 3.65Å; K198-E621 PolarHBondContact NZ-OE2 3.11Å; C617-E621 WeakPolarHBondContact O-CB 3.28Å; C617-E621 PolarHBondContact O-N 3.44Å; C617-E621 VanDerWaalsContact O-N 3.11Å; A618-E621 PolarHBondContact O-N 3.39Å; V619-E621 VanDerWaalsContact C-N 3.33Å; V619-E621 PolarHBondContact O-N 2.98Å; E621-A624 WeakPolarHBondContact O-CB 3.45Å; E621-A624 PolarHBondContact O-N 3.38Å; E621-I625 HydrophobicContact CG-CD1 4Å; E621-I625 WeakPolarHBondContact O-CB 3.24Å; E621-I625 WeakPolarHBondContact O-CD1 3.31Å; E621-I625 VanDerWaalsContact O-CG1 3.23Å; E621-I625 WeakPolarHBondContact O-CG1 3.5Å; E621-I625 PolarHBondContact O-N 3.43Å
622	G	92.6	Very high	90.1	Very high	0 Å²	0	14 Å²	14	0%	0	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-42.4	174.8	0	0	0	0	0	112.6	V208 A618 V619 E620 I625 Y626	V208-G622 WeakPolarHBondContact O-CA 3.37Å; A618-G622 PolarHBondContact O-N 3.31Å; V619-G622 PolarHBondContact O-N 3.29Å; E620-G622 VanDerWaalsContact C-N 3.34Å; E620-G622 PolarHBondContact O-N 2.85Å; G622-I625 PolarHBondContact O-N 3.42Å; G622-Y626 PolarHBondContact O-N 3.4Å
623	R	91.3	Very high	90	Very high	17 Å²	17	14 Å²	14	6%	0.064	8%	0.077	C	C	.	.	H	α-helix	trans	-62.6	-43.5	174	-70.7	-179.6	178.4	-159.9	-0	111.4	G212 A489 V619 E620 Y626 S627 I688 R691	G212-R623 VanDerWaalsContact O-CG 3.23Å; G212-R623 WeakPolarHBondContact O-CG 3.49Å; A489-R623 PolarHBondContact O-NH2 3.43Å; V619-R623 HydrophobicContact CG1-CG 4.48Å; V619-R623 WeakPolarHBondContact O-CG 3.4Å; V619-R623 PolarHBondContact O-N 3.09Å; E620-R623 PolarHBondContact O-N 3.02Å; R623-Y626 PolarHBondContact O-N 3.05Å; R623-S627 PolarHBondContact O-N 3.04Å; R623-I688 HydrophobicContact CB-CD1 3.91Å; R623-I688 HydrophobicContact CB-CG1 3.52Å; R623-I688 WeakPolarHBondContact CD-O 3.36Å; R623-I688 HydrophobicContact CG-CG1 4.49Å; R623-I688 PolarHBondContact NH1-O 2.56Å; R623-R691 PolarHBondContact NH1-O 3.27Å
624	A	89	Confident	89.6	Confident	4 Å²	4	12.8 Å²	12.8	3%	0.033	7%	0.068	C	C	.	.	H	α-helix	trans	-61.9	-46.3	177.1	0	0	0	0	0	111.9	E620 E621 Y626 S627 N628 P684	E620-A624 PolarHBondContact O-N 2.85Å; E621-A624 WeakPolarHBondContact O-CB 3.45Å; E621-A624 PolarHBondContact O-N 3.38Å; A624-Y626 PolarHBondContact O-N 2.77Å; A624-S627 WeakPolarHBondContact O-CB 3.11Å; A624-S627 PolarHBondContact O-N 3Å; A624-N628 VanDerWaalsContact O-CG 3.27Å; A624-N628 PolarHBondContact O-N 2.92Å; A624-N628 PolarHBondContact O-OD1 3.03Å; A624-P684 HydrophobicContact CB-CB 3.78Å
625	I	89.5	Confident	89.4	Confident	0 Å²	0	12.4 Å²	12.4	0%	0	7%	0.066	C	C	.	.	H	α-helix	trans	-62.9	-43.5	178.8	-70	164.2	0	0	0	110.6	L188 G191 M195 V208 E621 G622 S627 N628 M629	L188-I625 HydrophobicContact CD2-CG2 4.15Å; G191-I625 VanDerWaalsContact CA-CD1 3.47Å; M195-I625 HydrophobicContact CE-CD1 4.01Å; V208-I625 HydrophobicContact CG1-CB 4.28Å; V208-I625 HydrophobicContact CG1-CD1 3.26Å; V208-I625 HydrophobicContact CG1-CG1 4.36Å; V208-I625 HydrophobicContact CG1-CG2 4.05Å; E621-I625 HydrophobicContact CG-CD1 4Å; E621-I625 WeakPolarHBondContact O-CB 3.24Å; E621-I625 WeakPolarHBondContact O-CD1 3.31Å; E621-I625 VanDerWaalsContact O-CG1 3.23Å; E621-I625 WeakPolarHBondContact O-CG1 3.5Å; E621-I625 PolarHBondContact O-N 3.43Å; G622-I625 PolarHBondContact O-N 3.42Å; I625-S627 PolarHBondContact O-N 3.13Å; I625-N628 PolarHBondContact O-N 3.32Å; I625-M629 HydrophobicContact CG2-CG 4.21Å; I625-M629 HydrophobicContact CG2-SD 4.38Å; I625-M629 WeakPolarHBondContact O-CB 3.43Å; I625-M629 VanDerWaalsContact O-CG 3.26Å; I625-M629 WeakPolarHBondContact O-CG 3.47Å; I625-M629 PolarHBondContact O-N 3.41Å
626	Y	87.4	Confident	89.3	Confident	20 Å²	20	12.6 Å²	12.6	8%	0.078	7%	0.066	C	C	.	.	H	α-helix	trans	-60	-44.5	175.4	179.3	-100.4	0	0	0	112.5	E209 G622 R623 A624 N628 M629 K630 R694 L700	E209-Y626 HydrophobicContact CG-CD2 3.73Å; E209-Y626 HydrophobicContact CG-CG 4.4Å; E209-Y626 WeakPolarHBondContact OE1-CD2 3.32Å; G622-Y626 PolarHBondContact O-N 3.4Å; R623-Y626 PolarHBondContact O-N 3.05Å; A624-Y626 PolarHBondContact O-N 2.77Å; Y626-N628 VanDerWaalsContact C-N 3.33Å; Y626-N628 PolarHBondContact O-N 3.47Å; Y626-M629 HydrophobicContact CD2-CE 4.23Å; Y626-M629 PolarHBondContact O-N 2.78Å; Y626-K630 HydrophobicContact CE1-CD 4.24Å; Y626-K630 WeakPolarHBondContact O-CB 3.35Å; Y626-K630 PolarHBondContact O-N 3.29Å; Y626-R694 VanDerWaalsContact CE1-CD 3.48Å; Y626-R694 VanDerWaalsContact CE2-CZ 3.44Å; Y626-R694 PolarHBondContact OH-NH1 3.19Å; Y626-L700 HydrophobicContact CE2-CD2 4.27Å
627	S	85	Confident	89	Confident	30 Å²	30	13.1 Å²	13.1	21%	0.21	7%	0.069	C	C	.	.	H	α-helix	trans	-57	-48.7	176.3	-166.8	0	0	0	0	111.1	R623 A624 I625 M629 K630 Q631	R623-S627 PolarHBondContact O-N 3.04Å; A624-S627 WeakPolarHBondContact O-CB 3.11Å; A624-S627 PolarHBondContact O-N 3Å; I625-S627 PolarHBondContact O-N 3.13Å; S627-M629 VanDerWaalsContact C-N 3.33Å; S627-M629 PolarHBondContact O-N 2.73Å; S627-K630 WeakPolarHBondContact O-CB 3.22Å; S627-K630 PolarHBondContact O-N 3.2Å; S627-Q631 WeakPolarHBondContact O-CB 3.37Å; S627-Q631 PolarHBondContact O-N 3.03Å
628	N	88.4	Confident	88.7	Confident	3 Å²	3	11 Å²	11	2%	0.016	6%	0.055	C	C	.	.	H	α-helix	trans	-63.6	-37.6	177.8	-65.2	1.8	0	0	0	112.2	A624 I625 Y626 Q631 F632 G680 N682	A624-N628 VanDerWaalsContact O-CG 3.27Å; A624-N628 PolarHBondContact O-N 2.92Å; A624-N628 PolarHBondContact O-OD1 3.03Å; I625-N628 PolarHBondContact O-N 3.32Å; Y626-N628 VanDerWaalsContact C-N 3.33Å; Y626-N628 PolarHBondContact O-N 3.47Å; N628-Q631 VanDerWaalsContact O-CB 3.22Å; N628-Q631 WeakPolarHBondContact O-CB 3.32Å; N628-Q631 PolarHBondContact O-N 3.1Å; N628-F632 WeakPolarHBondContact O-CD1 3.48Å; N628-F632 PolarHBondContact O-N 2.71Å; N628-F632 VanDerWaalsContact O-N 3.08Å; N628-G680 PolarHBondContact ND2-O 3.18Å; N628-N682 PolarHBondContact ND2-N 2.91Å; N628-N682 PolarHBondContact ND2-O 3.06Å; N628-N682 WeakPolarHBondContact OD1-CB 3.43Å
629	M	86.5	Confident	88.5	Confident	0 Å²	0	10.9 Å²	10.9	0%	0	5%	0.053	C	C	.	.	H	α-helix	trans	-64.5	-46.7	174.8	-72.2	-162.8	-50.1	0	0	112.5	L118 I184 L188 E209 I625 Y626 S627 Q631 F632 I633	L118-M629 HydrophobicContact CD1-CE 3.77Å; L118-M629 HydrophobicContact CD2-CE 3.67Å; L118-M629 HydrophobicContact CD2-SD 4.06Å; L118-M629 HydrophobicContact CG-CE 4.35Å; I184-M629 HydrophobicContact CG2-SD 4.3Å; L188-M629 HydrophobicContact CD2-SD 3.97Å; L188-M629 HydrophobicContact CG-SD 4.32Å; E209-M629 HydrophobicContact CB-CE 3.92Å; E209-M629 HydrophobicContact CG-CE 3.6Å; I625-M629 HydrophobicContact CG2-CG 4.21Å; I625-M629 HydrophobicContact CG2-SD 4.38Å; I625-M629 WeakPolarHBondContact O-CB 3.43Å; I625-M629 VanDerWaalsContact O-CG 3.26Å; I625-M629 WeakPolarHBondContact O-CG 3.47Å; I625-M629 PolarHBondContact O-N 3.41Å; Y626-M629 HydrophobicContact CD2-CE 4.23Å; Y626-M629 PolarHBondContact O-N 2.78Å; S627-M629 VanDerWaalsContact C-N 3.33Å; S627-M629 PolarHBondContact O-N 2.73Å; M629-Q631 PolarHBondContact O-N 3.25Å; M629-F632 HydrophobicContact CB-CE1 3.92Å; M629-F632 HydrophobicContact CB-CZ 3.82Å; M629-F632 HydrophobicContact CG-CE1 3.61Å; M629-F632 HydrophobicContact CG-CZ 3.55Å; M629-F632 PolarHBondContact O-N 3.09Å; M629-F632 HydrophobicContact SD-CZ 4.41Å; M629-I633 HydrophobicContact CB-CD1 4.43Å; M629-I633 VanDerWaalsContact O-CB 3.31Å; M629-I633 WeakPolarHBondContact O-CB 3.29Å; M629-I633 WeakPolarHBondContact O-CD1 3.27Å; M629-I633 WeakPolarHBondContact O-CG1 3.21Å; M629-I633 PolarHBondContact O-N 3.19Å
630	K	83.9	Confident	88.4	Confident	24 Å²	24	11.1 Å²	11.1	10%	0.104	6%	0.055	C	C	.	.	H	α-helix	trans	-53.2	-47.2	174.5	-144.8	-176.8	174.5	-176.6	0	108.8	Y626 S627 I633 R634 E698 L700	Y626-K630 HydrophobicContact CE1-CD 4.24Å; Y626-K630 WeakPolarHBondContact O-CB 3.35Å; Y626-K630 PolarHBondContact O-N 3.29Å; S627-K630 WeakPolarHBondContact O-CB 3.22Å; S627-K630 PolarHBondContact O-N 3.2Å; K630-I633 PolarHBondContact O-N 3.07Å; K630-R634 WeakPolarHBondContact O-CB 3.23Å; K630-R634 WeakPolarHBondContact O-CD 3.46Å; K630-R634 WeakPolarHBondContact O-CG 3.31Å; K630-R634 PolarHBondContact O-N 3.48Å; K630-E698 IonicContact NZ-OE1 3.07Å; K630-E698 PolarHBondContact NZ-OE1 3.36Å; K630-L700 WeakPolarHBondContact CE-O 3.2Å; K630-L700 HydrophobicContact CG-CD2 4.24Å
631	Q	85.8	Confident	88.2	Confident	15 Å²	15	9.8 Å²	9.8	7%	0.07	5%	0.049	C	C	.	.	H	α-helix	trans	-56.1	-52.4	-179.9	-155.7	90.5	56.9	0	0	113.7	S627 N628 M629 R634 Y635 S787	S627-Q631 WeakPolarHBondContact O-CB 3.37Å; S627-Q631 PolarHBondContact O-N 3.03Å; N628-Q631 VanDerWaalsContact O-CB 3.22Å; N628-Q631 WeakPolarHBondContact O-CB 3.32Å; N628-Q631 PolarHBondContact O-N 3.1Å; M629-Q631 PolarHBondContact O-N 3.25Å; Q631-R634 WeakPolarHBondContact O-CB 3.42Å; Q631-R634 PolarHBondContact O-N 3.17Å; Q631-Y635 PolarHBondContact O-N 3.21Å; Q631-Y635 VanDerWaalsContact O-N 3.12Å; Q631-S787 WeakPolarHBondContact CG-O 3.41Å; Q631-S787 PolarHBondContact NE2-O 2.8Å
632	F	89.9	Confident	88.2	Confident	0 Å²	0	8.9 Å²	8.9	0%	0	5%	0.045	C	C	.	.	H	α-helix	trans	-77	-30.5	-179.1	69.6	-117.4	0	0	0	113.4	L180 V183 I184 C187 N628 M629 R634 Y635 L636 A676 L679	L180-F632 HydrophobicContact CD1-CD2 4.21Å; L180-F632 HydrophobicContact CD1-CE2 3.93Å; V183-F632 HydrophobicContact CB-CE2 4.47Å; V183-F632 HydrophobicContact CG1-CD1 4.19Å; V183-F632 HydrophobicContact CG1-CD2 3.69Å; V183-F632 HydrophobicContact CG1-CE1 4.15Å; V183-F632 HydrophobicContact CG1-CE2 3.75Å; V183-F632 HydrophobicContact CG1-CG 3.98Å; V183-F632 HydrophobicContact CG1-CZ 3.98Å; I184-F632 HydrophobicContact CG1-CE2 3.67Å; I184-F632 HydrophobicContact CG1-CZ 3.82Å; C187-F632 HydrophobicContact CB-CE1 3.89Å; C187-F632 HydrophobicContact CB-CZ 4.3Å; N628-F632 WeakPolarHBondContact O-CD1 3.48Å; N628-F632 PolarHBondContact O-N 2.71Å; N628-F632 VanDerWaalsContact O-N 3.08Å; M629-F632 HydrophobicContact CB-CE1 3.92Å; M629-F632 HydrophobicContact CB-CZ 3.82Å; M629-F632 HydrophobicContact CG-CE1 3.61Å; M629-F632 HydrophobicContact CG-CZ 3.55Å; M629-F632 PolarHBondContact O-N 3.09Å; M629-F632 HydrophobicContact SD-CZ 4.41Å; F632-R634 PolarHBondContact O-N 3.11Å; F632-Y635 PolarHBondContact O-N 2.86Å; F632-L636 WeakPolarHBondContact O-CG 3.49Å; F632-L636 PolarHBondContact O-N 3.37Å; F632-A676 HydrophobicContact CB-CB 4.14Å; F632-A676 WeakPolarHBondContact CB-O 3.44Å; F632-L679 HydrophobicContact CB-CB 3.96Å; F632-L679 HydrophobicContact CB-CD1 4.14Å
633	I	86.9	Confident	88.2	Confident	2 Å²	2	8.9 Å²	8.9	1%	0.01	5%	0.045	C	C	.	.	H	α-helix	trans	-58.9	-45.3	173.2	-75	165	0	0	0	108.7	L180 M629 K630 L636 I637 L700	L180-I633 HydrophobicContact CD1-CG1 3.71Å; M629-I633 HydrophobicContact CB-CD1 4.43Å; M629-I633 VanDerWaalsContact O-CB 3.31Å; M629-I633 WeakPolarHBondContact O-CB 3.29Å; M629-I633 WeakPolarHBondContact O-CD1 3.27Å; M629-I633 WeakPolarHBondContact O-CG1 3.21Å; M629-I633 PolarHBondContact O-N 3.19Å; K630-I633 PolarHBondContact O-N 3.07Å; I633-L636 PolarHBondContact O-N 3.33Å; I633-I637 HydrophobicContact CG2-CD1 3.54Å; I633-I637 HydrophobicContact CG2-CG1 4.44Å; I633-I637 WeakPolarHBondContact O-CB 3.32Å; I633-I637 WeakPolarHBondContact O-CD1 3.46Å; I633-I637 WeakPolarHBondContact O-CG1 3.11Å; I633-I637 PolarHBondContact O-N 3.46Å; I633-L700 HydrophobicContact CD1-CD2 4.19Å
634	R	81.3	Confident	88.1	Confident	4 Å²	4	9 Å²	9	2%	0.015	5%	0.047	C	C	.	.	H	α-helix	trans	-63.7	-43	177.9	-69.9	158.2	177.3	-144.2	15.1	112.7	K630 Q631 F632 I637 S638 L705 Y709 E790	K630-R634 WeakPolarHBondContact O-CB 3.23Å; K630-R634 WeakPolarHBondContact O-CD 3.46Å; K630-R634 WeakPolarHBondContact O-CG 3.31Å; K630-R634 PolarHBondContact O-N 3.48Å; Q631-R634 WeakPolarHBondContact O-CB 3.42Å; Q631-R634 PolarHBondContact O-N 3.17Å; F632-R634 PolarHBondContact O-N 3.11Å; R634-I637 PolarHBondContact O-N 3.24Å; R634-S638 WeakPolarHBondContact O-CB 3.37Å; R634-S638 PolarHBondContact O-N 3.49Å; R634-L705 HydrophobicContact CG-CD2 4.02Å; R634-L705 VanDerWaalsContact NE-CD2 3.3Å; R634-L705 VanDerWaalsContact NH1-CD1 3.28Å; R634-Y709 HydrophobicContact CB-CE1 4.42Å; R634-Y709 HydrophobicContact CB-CE2 3.79Å; R634-Y709 VanDerWaalsContact CB-OH 3.31Å; R634-Y709 WeakPolarHBondContact CB-OH 3.27Å; R634-Y709 VanDerWaalsContact CD-OH 3.23Å; R634-Y709 WeakPolarHBondContact CD-OH 3.37Å; R634-Y709 HydrophobicContact CG-CE2 3.74Å; R634-Y709 WeakPolarHBondContact CG-OH 3.44Å; R634-E790 VanDerWaalsContact CZ-CD 3.45Å; R634-E790 IonicContact CZ-OE1 3.44Å; R634-E790 IonicContact CZ-OE2 2.77Å; R634-E790 VanDerWaalsContact NH1-CG 3.26Å; R634-E790 IonicContact NH1-OE1 3.4Å; R634-E790 PolarHBondContact NH1-OE1 3.23Å; R634-E790 IonicContact NH1-OE2 2.71Å; R634-E790 PolarHBondContact NH1-OE2 3.05Å; R634-E790 IonicContact NH2-OE1 2.86Å; R634-E790 PolarHBondContact NH2-OE1 2.92Å; R634-E790 IonicContact NH2-OE2 2.85Å; R634-E790 PolarHBondContact NH2-OE2 2.9Å
635	Y	89.7	Confident	88.2	Confident	0 Å²	0	10 Å²	10	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-57.6	-53.5	175.7	163	-120.1	0	0	0	111.2	Q631 F632 I637 S638 S639 D672 P675 A676 L679 E780 N783 A784	Q631-Y635 PolarHBondContact O-N 3.21Å; Q631-Y635 VanDerWaalsContact O-N 3.12Å; F632-Y635 PolarHBondContact O-N 2.86Å; Y635-I637 PolarHBondContact O-N 3.23Å; Y635-S638 WeakPolarHBondContact O-CB 3.45Å; Y635-S638 PolarHBondContact O-N 3.35Å; Y635-S639 PolarHBondContact O-N 2.8Å; Y635-S639 VanDerWaalsContact O-N 3.12Å; Y635-D672 HydrophobicContact CE1-CB 4.11Å; Y635-D672 WeakPolarHBondContact CE1-O 3.45Å; Y635-D672 WeakPolarHBondContact OH-CA 3.05Å; Y635-D672 WeakPolarHBondContact OH-CB 3.22Å; Y635-D672 VanDerWaalsContact OH-CG 3.26Å; Y635-D672 PolarHBondContact OH-OD1 3.42Å; Y635-P675 HydrophobicContact CE1-CB 4.05Å; Y635-A676 HydrophobicContact CD1-CB 3.93Å; Y635-A676 HydrophobicContact CE1-CB 4.01Å; Y635-L679 HydrophobicContact CD1-CD1 4Å; Y635-L679 HydrophobicContact CG-CD1 4.09Å; Y635-E780 HydrophobicContact CE2-CB 4.32Å; Y635-E780 WeakPolarHBondContact CE2-O 3.21Å; Y635-E780 WeakPolarHBondContact CE2-OE2 3.38Å; Y635-N783 HydrophobicContact CE2-CB 4.5Å; Y635-A784 HydrophobicContact CD2-CB 4.4Å; Y635-A784 HydrophobicContact CE2-CB 3.96Å
636	L	90.5	Very high	88.3	Confident	4 Å²	4	10.1 Å²	10.1	2%	0.021	5%	0.054	C	C	.	.	H	α-helix	trans	-59.6	-46.7	179.5	-69.7	172.9	0	0	0	111.6	L180 F632 I633 S638 S639 N640 D672 A676	L180-L636 HydrophobicContact CB-CD1 4.21Å; L180-L636 HydrophobicContact CD1-CD1 3.77Å; F632-L636 WeakPolarHBondContact O-CG 3.49Å; F632-L636 PolarHBondContact O-N 3.37Å; I633-L636 PolarHBondContact O-N 3.33Å; L636-S638 VanDerWaalsContact C-N 3.3Å; L636-S638 PolarHBondContact O-N 3.38Å; L636-S639 WeakPolarHBondContact O-CB 3.38Å; L636-S639 PolarHBondContact O-N 3.16Å; L636-S639 VanDerWaalsContact O-N 3.13Å; L636-N640 PolarHBondContact O-N 2.83Å; L636-N640 PolarHBondContact O-OD1 3.03Å; L636-D672 HydrophobicContact CD2-CB 3.83Å; L636-A676 HydrophobicContact CD1-CB 4.01Å; L636-A676 HydrophobicContact CD2-CB 3.95Å; L636-A676 HydrophobicContact CG-CB 3.96Å
637	I	85.7	Confident	88.4	Confident	17 Å²	17	9.7 Å²	9.7	9%	0.087	5%	0.053	C	C	.	.	H	α-helix	trans	-62.7	-38.3	179.1	-67.6	167.9	0	0	0	111.9	F125 I633 R634 Y635 S639 N640 I641 I701	F125-I637 HydrophobicContact CD2-CD1 4.36Å; F125-I637 HydrophobicContact CE1-CD1 4.11Å; F125-I637 HydrophobicContact CE2-CD1 3.39Å; F125-I637 HydrophobicContact CE2-CG1 4.23Å; F125-I637 HydrophobicContact CZ-CD1 3.24Å; F125-I637 HydrophobicContact CZ-CG1 3.69Å; I633-I637 HydrophobicContact CG2-CD1 3.54Å; I633-I637 HydrophobicContact CG2-CG1 4.44Å; I633-I637 WeakPolarHBondContact O-CB 3.32Å; I633-I637 WeakPolarHBondContact O-CD1 3.46Å; I633-I637 WeakPolarHBondContact O-CG1 3.11Å; I633-I637 PolarHBondContact O-N 3.46Å; R634-I637 PolarHBondContact O-N 3.24Å; Y635-I637 PolarHBondContact O-N 3.23Å; I637-S639 VanDerWaalsContact C-N 3.29Å; I637-S639 PolarHBondContact O-N 2.9Å; I637-N640 PolarHBondContact O-N 3.31Å; I637-I641 HydrophobicContact CG2-CD1 3.92Å; I637-I641 HydrophobicContact CG2-CG1 4.36Å; I637-I641 VanDerWaalsContact O-CG1 3.28Å; I637-I641 WeakPolarHBondContact O-CG1 3.35Å; I637-I641 PolarHBondContact O-N 2.97Å; I637-I701 HydrophobicContact CD1-CD1 3.85Å; I637-I701 HydrophobicContact CG2-CD1 4.35Å
638	S	86.8	Confident	88.4	Confident	0 Å²	0	11.9 Å²	11.9	0%	0	6%	0.059	C	C	.	.	H	α-helix	trans	-60.6	-41.5	176.1	-174.6	0	0	0	0	111.5	R634 Y635 L636 G642 N783	R634-S638 WeakPolarHBondContact O-CB 3.37Å; R634-S638 PolarHBondContact O-N 3.49Å; Y635-S638 WeakPolarHBondContact O-CB 3.45Å; Y635-S638 PolarHBondContact O-N 3.35Å; L636-S638 VanDerWaalsContact C-N 3.3Å; L636-S638 PolarHBondContact O-N 3.38Å; S638-G642 PolarHBondContact O-N 2.84Å; S638-N783 PolarHBondContact OG-ND2 2.7Å
639	S	90.8	Very high	88.3	Confident	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-61.5	-54.5	175.6	-176.3	0	0	0	0	110.8	Y635 L636 I637 I641 G642 E643 D672 E780	Y635-S639 PolarHBondContact O-N 2.8Å; Y635-S639 VanDerWaalsContact O-N 3.12Å; L636-S639 WeakPolarHBondContact O-CB 3.38Å; L636-S639 PolarHBondContact O-N 3.16Å; L636-S639 VanDerWaalsContact O-N 3.13Å; I637-S639 VanDerWaalsContact C-N 3.29Å; I637-S639 PolarHBondContact O-N 2.9Å; S639-I641 VanDerWaalsContact C-N 3.3Å; S639-I641 PolarHBondContact O-N 3.46Å; S639-G642 WeakPolarHBondContact O-CA 3.42Å; S639-G642 PolarHBondContact O-N 3.18Å; S639-E643 PolarHBondContact O-N 2.82Å; S639-D672 VanDerWaalsContact CB-OD2 3.31Å; S639-D672 WeakPolarHBondContact CB-OD2 3.31Å; S639-D672 PolarHBondContact OG-OD2 3.2Å; S639-E780 WeakPolarHBondContact CA-OE1 3.28Å; S639-E780 WeakPolarHBondContact CB-OE2 3.43Å; S639-E780 VanDerWaalsContact OG-CD 3.31Å; S639-E780 WeakPolarHBondContact OG-CG 3.33Å
640	N	90.5	Very high	88.3	Confident	7 Å²	7	14.6 Å²	14.6	4%	0.037	7%	0.073	C	C	.	.	H	α-helix	trans	-56.5	-38.7	178.7	-73	93.9	0	0	0	113.2	A174 I176 L636 I637 G642 E643 V644	A174-N640 WeakPolarHBondContact O-CA 3.16Å; A174-N640 WeakPolarHBondContact O-CB 3.34Å; A174-N640 PolarHBondContact O-ND2 2.8Å; I176-N640 PolarHBondContact O-ND2 3.11Å; L636-N640 PolarHBondContact O-N 2.83Å; L636-N640 PolarHBondContact O-OD1 3.03Å; I637-N640 PolarHBondContact O-N 3.31Å; N640-G642 VanDerWaalsContact C-N 3.3Å; N640-G642 PolarHBondContact O-N 3.49Å; N640-E643 PolarHBondContact O-N 2.71Å; N640-V644 VanDerWaalsContact O-CG2 3.29Å; N640-V644 WeakPolarHBondContact O-CG2 3.44Å; N640-V644 PolarHBondContact O-N 3.44Å
641	I	89.1	Confident	88.2	Confident	40 Å²	40	13.9 Å²	13.9	21%	0.205	7%	0.072	C	C	.	.	H	α-helix	trans	-61.6	-41.9	174.3	-68.1	167.7	0	0	0	110.3	I637 S639 V644 V645	I637-I641 HydrophobicContact CG2-CD1 3.92Å; I637-I641 HydrophobicContact CG2-CG1 4.36Å; I637-I641 VanDerWaalsContact O-CG1 3.28Å; I637-I641 WeakPolarHBondContact O-CG1 3.35Å; I637-I641 PolarHBondContact O-N 2.97Å; S639-I641 VanDerWaalsContact C-N 3.3Å; S639-I641 PolarHBondContact O-N 3.46Å; I641-V644 PolarHBondContact O-N 3.43Å; I641-V645 HydrophobicContact CG2-CG2 4.5Å; I641-V645 VanDerWaalsContact O-CG2 3.32Å; I641-V645 WeakPolarHBondContact O-CG2 3.47Å; I641-V645 PolarHBondContact O-N 3.22Å
642	G	91.3	Very high	87.9	Confident	0 Å²	0	15.9 Å²	15.9	0%	0	9%	0.091	C	C	.	.	H	α-helix	trans	-62.9	-43.4	176.5	0	0	0	0	0	113.7	S638 S639 N640 V645 S646 G713 G717	S638-G642 PolarHBondContact O-N 2.84Å; S639-G642 WeakPolarHBondContact O-CA 3.42Å; S639-G642 PolarHBondContact O-N 3.18Å; N640-G642 VanDerWaalsContact C-N 3.3Å; N640-G642 PolarHBondContact O-N 3.49Å; G642-V645 PolarHBondContact O-N 2.93Å; G642-S646 WeakPolarHBondContact O-CB 3.28Å; G642-S646 PolarHBondContact O-N 2.8Å; G642-G713 VanDerWaalsContact CA-O 3.23Å; G642-G713 WeakPolarHBondContact CA-O 3.29Å; G642-G717 WeakPolarHBondContact O-CA 3.41Å
643	E	92.5	Very high	87.6	Confident	0 Å²	0	17.8 Å²	17.8	0%	0	10%	0.101	C	C	.	.	H	α-helix	trans	-61.5	-44.5	175.4	-62.2	-174.5	157.7	0	0	111.8	A174 S639 N640 V645 S646 I647 L664 N668 L776	A174-E643 WeakPolarHBondContact CA-OE2 3.16Å; A174-E643 HydrophobicContact CB-CB 3.79Å; S639-E643 PolarHBondContact O-N 2.82Å; N640-E643 PolarHBondContact O-N 2.71Å; E643-V645 PolarHBondContact O-N 3.18Å; E643-S646 WeakPolarHBondContact O-CB 3.14Å; E643-S646 PolarHBondContact O-N 3.02Å; E643-I647 WeakPolarHBondContact O-CG1 3.46Å; E643-I647 PolarHBondContact O-N 3.11Å; E643-L664 HydrophobicContact CB-CD2 4.11Å; E643-L664 HydrophobicContact CG-CD2 3.86Å; E643-N668 PolarHBondContact OE1-OD1 2.94Å; E643-N668 PolarHBondContact OE2-ND2 3.48Å; E643-N668 PolarHBondContact OE2-OD1 2.9Å; E643-L776 HydrophobicContact CG-CD1 4.27Å; E643-L776 HydrophobicContact CG-CD2 4.13Å
644	V	90	Very high	87.3	Confident	18 Å²	18	19 Å²	19	11%	0.109	11%	0.114	C	C	.	.	H	α-helix	trans	-62	-43.9	176.4	171.3	0	0	0	0	111.2	I136 L171 A174 A175 N640 I641 S646 I647 F648	I136-V644 HydrophobicContact CD1-CG1 4Å; I136-V644 HydrophobicContact CG2-CG1 4.48Å; L171-V644 HydrophobicContact CD1-CG1 4.32Å; A174-V644 HydrophobicContact CB-CG2 4.03Å; A175-V644 HydrophobicContact CB-CG2 3.64Å; N640-V644 VanDerWaalsContact O-CG2 3.29Å; N640-V644 WeakPolarHBondContact O-CG2 3.44Å; N640-V644 PolarHBondContact O-N 3.44Å; I641-V644 PolarHBondContact O-N 3.43Å; V644-S646 VanDerWaalsContact C-N 3.32Å; V644-S646 PolarHBondContact O-N 3.5Å; V644-I647 PolarHBondContact O-N 3.16Å; V644-F648 VanDerWaalsContact O-CB 3.24Å; V644-F648 WeakPolarHBondContact O-CB 3.47Å; V644-F648 PolarHBondContact O-N 3.04Å
645	V	90.3	Very high	87.4	Confident	27 Å²	27	19 Å²	19	16%	0.164	11%	0.114	C	C	.	.	H	α-helix	trans	-63.1	-40.6	175.8	174.4	0	0	0	0	110.8	I641 G642 E643 F648 L649 V714	I641-V645 HydrophobicContact CG2-CG2 4.5Å; I641-V645 VanDerWaalsContact O-CG2 3.32Å; I641-V645 WeakPolarHBondContact O-CG2 3.47Å; I641-V645 PolarHBondContact O-N 3.22Å; G642-V645 PolarHBondContact O-N 2.93Å; E643-V645 PolarHBondContact O-N 3.18Å; V645-F648 PolarHBondContact O-N 3.42Å; V645-L649 HydrophobicContact CG1-CD1 3.71Å; V645-L649 HydrophobicContact CG1-CG 4.02Å; V645-L649 WeakPolarHBondContact O-CB 3.48Å; V645-L649 VanDerWaalsContact O-CG 3.3Å; V645-L649 WeakPolarHBondContact O-CG 3.39Å; V645-L649 PolarHBondContact O-N 3.24Å; V645-V714 HydrophobicContact CG2-CG2 4.19Å
646	S	92.2	Very high	87.2	Confident	1 Å²	1	19.3 Å²	19.3	1%	0.007	12%	0.116	C	C	.	.	H	α-helix	trans	-58.4	-49.8	176.8	-172.3	0	0	0	0	111.8	G642 E643 V644 T650 T720 V721	G642-S646 WeakPolarHBondContact O-CB 3.28Å; G642-S646 PolarHBondContact O-N 2.8Å; E643-S646 WeakPolarHBondContact O-CB 3.14Å; E643-S646 PolarHBondContact O-N 3.02Å; V644-S646 VanDerWaalsContact C-N 3.32Å; V644-S646 PolarHBondContact O-N 3.5Å; S646-T650 WeakPolarHBondContact O-CB 3.39Å; S646-T650 PolarHBondContact O-N 3.2Å; S646-T650 PolarHBondContact O-OG1 2.71Å; S646-T720 VanDerWaalsContact CB-OG1 3.26Å; S646-T720 WeakPolarHBondContact CB-OG1 3.46Å; S646-T720 PolarHBondContact OG-OG1 3.24Å; S646-V721 WeakPolarHBondContact O-CG2 3.29Å
647	I	88.7	Confident	87	Confident	11 Å²	11	20.9 Å²	20.9	6%	0.056	12%	0.124	C	C	.	.	H	α-helix	trans	-65.6	-43.4	178.6	-64.8	176.5	0	0	0	110.6	I167 A170 L171 A174 E643 V644 T650 A651 L664	I167-I647 HydrophobicContact CG2-CG2 4.12Å; A170-I647 VanDerWaalsContact C-CD1 3.43Å; A170-I647 HydrophobicContact CB-CD1 3.86Å; A170-I647 VanDerWaalsContact O-CD1 3.29Å; A170-I647 WeakPolarHBondContact O-CD1 3.46Å; L171-I647 HydrophobicContact CB-CG2 4.25Å; L171-I647 HydrophobicContact CD1-CB 4.44Å; L171-I647 HydrophobicContact CD1-CG2 4.03Å; A174-I647 HydrophobicContact CB-CD1 3.54Å; E643-I647 WeakPolarHBondContact O-CG1 3.46Å; E643-I647 PolarHBondContact O-N 3.11Å; V644-I647 PolarHBondContact O-N 3.16Å; I647-T650 PolarHBondContact O-N 3.32Å; I647-A651 WeakPolarHBondContact O-CB 3.18Å; I647-A651 PolarHBondContact O-N 2.82Å; I647-L664 HydrophobicContact CD1-CD1 3.73Å
648	F	84.9	Confident	87.3	Confident	76 Å²	76	20.2 Å²	20.2	33%	0.333	12%	0.12	S	C	.	.	H	α-helix	trans	-61	-46.8	179.3	179.6	-96.8	0	0	0	111.8	V140 I143 V644 V645 A651 A652	V140-F648 HydrophobicContact CG2-CD2 3.77Å; V140-F648 HydrophobicContact CG2-CE2 4.12Å; I143-F648 HydrophobicContact CD1-CE2 4.17Å; I143-F648 HydrophobicContact CD1-CZ 4.32Å; V644-F648 VanDerWaalsContact O-CB 3.24Å; V644-F648 WeakPolarHBondContact O-CB 3.47Å; V644-F648 PolarHBondContact O-N 3.04Å; V645-F648 PolarHBondContact O-N 3.42Å; F648-A651 PolarHBondContact O-N 3.23Å; F648-A652 HydrophobicContact CE1-CB 4.41Å; F648-A652 WeakPolarHBondContact O-CB 3.44Å; F648-A652 PolarHBondContact O-N 3.08Å
649	L	86.7	Confident	87.5	Confident	51 Å²	51	20.6 Å²	20.6	27%	0.267	12%	0.122	S	C	.	.	H	α-helix	trans	-64.1	-43.1	177.2	-73.5	176.6	0	0	0	111.7	V645 A651 A652 M653 A718 V721	V645-L649 HydrophobicContact CG1-CD1 3.71Å; V645-L649 HydrophobicContact CG1-CG 4.02Å; V645-L649 WeakPolarHBondContact O-CB 3.48Å; V645-L649 VanDerWaalsContact O-CG 3.3Å; V645-L649 WeakPolarHBondContact O-CG 3.39Å; V645-L649 PolarHBondContact O-N 3.24Å; L649-A651 PolarHBondContact O-N 3.01Å; L649-A652 PolarHBondContact O-N 2.81Å; L649-M653 VanDerWaalsContact O-CB 3.31Å; L649-M653 WeakPolarHBondContact O-CB 3.46Å; L649-M653 VanDerWaalsContact O-CG 3.25Å; L649-M653 WeakPolarHBondContact O-CG 3.35Å; L649-M653 PolarHBondContact O-N 2.79Å; L649-A718 HydrophobicContact CD1-CB 4.36Å; L649-V721 HydrophobicContact CB-CG2 4.06Å
650	T	87.1	Confident	87.5	Confident	9 Å²	9	21.2 Å²	21.2	6%	0.055	13%	0.125	C	C	.	.	H	α-helix	trans	-56	-50.8	175.3	-60.8	0	0	0	0	110.9	S646 I647 G654 I655 P656 V658 V721	S646-T650 WeakPolarHBondContact O-CB 3.39Å; S646-T650 PolarHBondContact O-N 3.2Å; S646-T650 PolarHBondContact O-OG1 2.71Å; I647-T650 PolarHBondContact O-N 3.32Å; T650-G654 PolarHBondContact O-N 3.3Å; T650-G654 VanDerWaalsContact O-N 3.12Å; T650-I655 HydrophobicContact CG2-CD1 4.44Å; T650-I655 HydrophobicContact CG2-CG1 3.89Å; T650-I655 PolarHBondContact O-N 3.46Å; T650-P656 WeakPolarHBondContact CG2-O 3.37Å; T650-V658 HydrophobicContact CG2-CB 4.5Å; T650-V658 HydrophobicContact CG2-CG2 4.04Å; T650-V658 WeakPolarHBondContact OG1-CG2 3.49Å; T650-V721 WeakPolarHBondContact OG1-CG2 3.46Å
651	A	81.3	Confident	87.4	Confident	9 Å²	9	22.3 Å²	22.3	7%	0.074	13%	0.133	C	C	.	.	H	α-helix	trans	-67.3	-42.3	-179.8	0	0	0	0	0	112.6	I167 I647 F648 L649 G654	I167-A651 HydrophobicContact CD1-CB 3.93Å; I167-A651 HydrophobicContact CG2-CB 4.17Å; I647-A651 WeakPolarHBondContact O-CB 3.18Å; I647-A651 PolarHBondContact O-N 2.82Å; F648-A651 PolarHBondContact O-N 3.23Å; L649-A651 PolarHBondContact O-N 3.01Å; A651-G654 PolarHBondContact O-N 3.39Å
652	A	80.3	Confident	87.5	Confident	58 Å²	58	23.9 Å²	23.9	48%	0.479	14%	0.144	S	C	.	.	H	α-helix	trans	-69.4	-33.6	-178.4	0	0	0	0	0	112.7	F648 L649	F648-A652 HydrophobicContact CE1-CB 4.41Å; F648-A652 WeakPolarHBondContact O-CB 3.44Å; F648-A652 PolarHBondContact O-N 3.08Å; L649-A652 PolarHBondContact O-N 2.81Å
653	M	83.5	Confident	87.7	Confident	40 Å²	40	23.9 Å²	23.9	20%	0.197	14%	0.144	C	C	.	.	H	α-helix	trans	-83.3	-13.7	176.3	-64.5	176.5	70	0	0	112.8	L649 I655 V721 I725 Y739 T743	L649-M653 VanDerWaalsContact O-CB 3.31Å; L649-M653 WeakPolarHBondContact O-CB 3.46Å; L649-M653 VanDerWaalsContact O-CG 3.25Å; L649-M653 WeakPolarHBondContact O-CG 3.35Å; L649-M653 PolarHBondContact O-N 2.79Å; M653-I655 VanDerWaalsContact C-N 3.27Å; M653-I655 HydrophobicContact CB-CG1 4.48Å; M653-I655 HydrophobicContact CB-CG2 3.98Å; M653-I655 PolarHBondContact O-N 2.61Å; M653-V721 HydrophobicContact SD-CG1 4.34Å; M653-I725 HydrophobicContact CE-CD1 3.67Å; M653-I725 HydrophobicContact SD-CD1 4.32Å; M653-Y739 HydrophobicContact CE-CE2 3.65Å; M653-Y739 WeakPolarHBondContact CE-OH 3.46Å; M653-T743 WeakPolarHBondContact O-CB 3.41Å; M653-T743 VanDerWaalsContact O-CG2 3.24Å; M653-T743 WeakPolarHBondContact O-CG2 3.29Å
654	G	79.4	Confident	87.7	Confident	28 Å²	28	23.9 Å²	23.9	29%	0.289	14%	0.144	S	C	.	.	T	Hydrogen-bonded Turn	trans	70.2	21	-178.2	0	0	0	0	0	114.1	T650 A651 T743 W745	T650-G654 PolarHBondContact O-N 3.3Å; T650-G654 VanDerWaalsContact O-N 3.12Å; A651-G654 PolarHBondContact O-N 3.39Å; G654-T743 CarbonylContact O-C 3.54Å; G654-W745 PolarHBondContact O-NE1 2.76Å
655	I	84.8	Confident	87.8	Confident	3 Å²	3	26.3 Å²	26.3	2%	0.015	16%	0.156	C	C	.	.			trans	-80.9	163.3	179.2	62.7	172.7	0	0	0	111.1	T650 M653 V658 V721 I725 V742 T743	T650-I655 HydrophobicContact CG2-CD1 4.44Å; T650-I655 HydrophobicContact CG2-CG1 3.89Å; T650-I655 PolarHBondContact O-N 3.46Å; M653-I655 VanDerWaalsContact C-N 3.27Å; M653-I655 HydrophobicContact CB-CG1 4.48Å; M653-I655 HydrophobicContact CB-CG2 3.98Å; M653-I655 PolarHBondContact O-N 2.61Å; I655-V658 HydrophobicContact CD1-CG2 3.86Å; I655-V658 HydrophobicContact CG1-CG2 4.5Å; I655-V721 HydrophobicContact CD1-CG1 3.52Å; I655-I725 HydrophobicContact CD1-CD1 4.22Å; I655-I725 HydrophobicContact CD1-CG1 4.13Å; I655-V742 HydrophobicContact CB-CG1 4.11Å; I655-V742 HydrophobicContact CG2-CG1 3.8Å; I655-T743 HydrophobicContact CG2-CG2 3.98Å
656	P	85.7	Confident	87.9	Confident	7 Å²	7	28.3 Å²	28.3	5%	0.045	16%	0.161	C	C	.	.			trans	-54.2	149.2	173.8	-25.5	34.4	0	0	0	112.1	T650 V658 Y728 W745 F763	T650-P656 WeakPolarHBondContact CG2-O 3.37Å; P656-V658 WeakPolarHBondContact O-CG2 3.36Å; P656-V658 PolarHBondContact O-N 3.21Å; P656-Y728 HydrophobicContact CB-CE2 4.34Å; P656-Y728 HydrophobicContact CG-CE2 4.09Å; P656-W745 HydrophobicContact CG-CB 4.2Å; P656-W745 HydrophobicContact CG-CD2 4.07Å; P656-W745 HydrophobicContact CG-CG 3.78Å; P656-F763 HydrophobicContact CG-CD1 3.89Å
657	E	86.5	Confident	88	Confident	37 Å²	37	28.3 Å²	28.3	17%	0.173	16%	0.161	C	C	.	.			trans	-60.3	113.1	-177.1	-71.3	178.1	-148.1	0	0	111.4	Y163 K166 N769	Y163-E657 HydrophobicContact CE2-CG 4.34Å; Y163-E657 WeakPolarHBondContact CE2-OE1 3.3Å; K166-E657 WeakPolarHBondContact CD-OE1 3.44Å; K166-E657 WeakPolarHBondContact CE-OE1 3.17Å; K166-E657 WeakPolarHBondContact CE-OE2 3.17Å; K166-E657 IonicContact NZ-OE1 3.44Å; K166-E657 PolarHBondContact NZ-OE1 3.46Å; K166-E657 IonicContact NZ-OE2 2.73Å; K166-E657 PolarHBondContact NZ-OE2 2.79Å; E657-N769 PolarHBondContact O-ND2 3.16Å
658	V	90.9	Very high	88.2	Confident	3 Å²	3	27.8 Å²	27.8	2%	0.018	16%	0.158	C	C	.	.	S	Bend	trans	-77.4	-37.1	-175.7	-179.1	0	0	0	0	111.9	T650 I655 P656 V721 A724 N769 A772	T650-V658 HydrophobicContact CG2-CB 4.5Å; T650-V658 HydrophobicContact CG2-CG2 4.04Å; T650-V658 WeakPolarHBondContact OG1-CG2 3.49Å; I655-V658 HydrophobicContact CD1-CG2 3.86Å; I655-V658 HydrophobicContact CG1-CG2 4.5Å; P656-V658 WeakPolarHBondContact O-CG2 3.36Å; P656-V658 PolarHBondContact O-N 3.21Å; V658-V721 HydrophobicContact CG2-CG2 4.45Å; V658-A724 HydrophobicContact CB-CB 4.4Å; V658-A724 HydrophobicContact CG1-CB 3.71Å; V658-A724 HydrophobicContact CG2-CB 3.85Å; V658-N769 WeakPolarHBondContact O-CA 3.4Å; V658-N769 PolarHBondContact O-ND2 3.43Å; V658-A772 HydrophobicContact CG1-CB 3.06Å
659	L	92	Very high	88.5	Confident	8 Å²	8	28.2 Å²	28.2	4%	0.042	16%	0.163	C	C	.	.	S	Bend	trans	-133.4	136.9	178.8	-68.2	169.9	0	0	0	110.2	L664 A772 L773 L776	L659-L664 HydrophobicContact CB-CD2 4.17Å; L659-L664 HydrophobicContact CB-CG 4.4Å; L659-L664 HydrophobicContact CD1-CD2 3.93Å; L659-A772 HydrophobicContact CD2-CB 4.28Å; L659-A772 HydrophobicContact CG-CB 4.49Å; L659-L773 HydrophobicContact CD2-CB 4.07Å; L659-L773 HydrophobicContact CD2-CD1 4.28Å; L659-L776 HydrophobicContact CD1-CD2 3.99Å
660	I	89.6	Confident	88.9	Confident	12 Å²	12	27.4 Å²	27.4	6%	0.062	16%	0.16	C	C	.	.			trans	-103.8	156.7	178.4	60.7	162.2	0	0	0	111.8	V662 Q663 L664 Q830	I660-V662 VanDerWaalsContact C-N 3.27Å; I660-V662 HydrophobicContact CD1-CB 4.3Å; I660-V662 PolarHBondContact O-N 3.41Å; I660-V662 VanDerWaalsContact O-N 3.15Å; I660-Q663 HydrophobicContact CD1-CG 4.14Å; I660-Q663 HydrophobicContact CG1-CB 4.15Å; I660-Q663 HydrophobicContact CG1-CG 3.53Å; I660-Q663 VanDerWaalsContact N-OE1 3.09Å; I660-Q663 WeakPolarHBondContact O-CB 3.29Å; I660-Q663 PolarHBondContact O-N 2.84Å; I660-L664 PolarHBondContact O-N 2.9Å; I660-Q830 HydrophobicContact CD1-CB 4.11Å; I660-Q830 HydrophobicContact CD1-CG 4.13Å
661	P	89.3	Confident	89.2	Confident	30 Å²	30	27 Å²	27	20%	0.195	16%	0.158	C	C	.	.	H	α-helix	trans	-55	-37.6	-176.9	-25.4	31.6	0	0	0	114.5	A170 Q663 L664 L665	A170-P661 HydrophobicContact CB-CG 3.82Å; P661-Q663 VanDerWaalsContact C-N 3.31Å; P661-Q663 PolarHBondContact O-N 2.86Å; P661-L664 PolarHBondContact O-N 2.94Å; P661-L665 WeakPolarHBondContact O-CB 3.49Å; P661-L665 PolarHBondContact O-N 3.42Å
662	V	91.5	Very high	89.8	Confident	73 Å²	73	26.6 Å²	26.6	44%	0.442	15%	0.154	S	C	.	.	H	α-helix	trans	-65.7	-35.2	-178.8	179.1	0	0	0	0	111.7	I660 W666 F829	I660-V662 VanDerWaalsContact C-N 3.27Å; I660-V662 HydrophobicContact CD1-CB 4.3Å; I660-V662 PolarHBondContact O-N 3.41Å; I660-V662 VanDerWaalsContact O-N 3.15Å; V662-W666 PolarHBondContact O-N 3.43Å; V662-F829 HydrophobicContact CG1-CD1 3.94Å; V662-F829 HydrophobicContact CG1-CE1 3.86Å
663	Q	93.7	Very high	90.4	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-68.9	-47.1	176	-67.9	165.1	-8.2	0	0	110.6	I660 P661 L665 W666 V667 L773 F829	I660-Q663 HydrophobicContact CD1-CG 4.14Å; I660-Q663 HydrophobicContact CG1-CB 4.15Å; I660-Q663 HydrophobicContact CG1-CG 3.53Å; I660-Q663 VanDerWaalsContact N-OE1 3.09Å; I660-Q663 WeakPolarHBondContact O-CB 3.29Å; I660-Q663 PolarHBondContact O-N 2.84Å; P661-Q663 VanDerWaalsContact C-N 3.31Å; P661-Q663 PolarHBondContact O-N 2.86Å; Q663-L665 VanDerWaalsContact C-N 3.32Å; Q663-L665 PolarHBondContact O-N 3.42Å; Q663-W666 WeakPolarHBondContact O-CB 3.03Å; Q663-W666 PolarHBondContact O-N 3.2Å; Q663-W666 VanDerWaalsContact O-N 3.15Å; Q663-V667 WeakPolarHBondContact O-CG2 3.32Å; Q663-V667 PolarHBondContact O-N 3.16Å; Q663-L773 HydrophobicContact CB-CD1 4.08Å; Q663-L773 HydrophobicContact CB-CD2 4.43Å; Q663-L773 HydrophobicContact CG-CD2 4.17Å; Q663-F829 HydrophobicContact CG-CD1 4.36Å; Q663-F829 WeakPolarHBondContact CG-O 3.39Å; Q663-F829 PolarHBondContact NE2-O 2.96Å
664	L	92.5	Very high	91	Very high	0 Å²	0	24.9 Å²	24.9	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-62.4	-39.9	179.9	-61.8	170.7	0	0	0	111.8	V173 A174 E643 I647 L659 I660 P661 W666 V667 N668 L776	V173-L664 HydrophobicContact CG1-CB 4.3Å; A174-L664 HydrophobicContact CB-CD1 4.07Å; E643-L664 HydrophobicContact CB-CD2 4.11Å; E643-L664 HydrophobicContact CG-CD2 3.86Å; I647-L664 HydrophobicContact CD1-CD1 3.73Å; L659-L664 HydrophobicContact CB-CD2 4.17Å; L659-L664 HydrophobicContact CB-CG 4.4Å; L659-L664 HydrophobicContact CD1-CD2 3.93Å; I660-L664 PolarHBondContact O-N 2.9Å; P661-L664 PolarHBondContact O-N 2.94Å; L664-W666 VanDerWaalsContact C-N 3.3Å; L664-W666 PolarHBondContact O-N 3.2Å; L664-V667 PolarHBondContact O-N 3.28Å; L664-N668 WeakPolarHBondContact O-CB 3.07Å; L664-N668 PolarHBondContact O-N 2.94Å; L664-N668 PolarHBondContact O-ND2 3.44Å; L664-L776 HydrophobicContact CD2-CD2 4.22Å
665	L	92.1	Very high	91.7	Very high	70 Å²	70	23.5 Å²	23.5	37%	0.366	13%	0.126	S	C	.	.	H	α-helix	trans	-62.4	-39.4	176.3	-159.3	147.8	0	0	0	111.5	V173 E178 P661 Q663 L669	V173-L665 HydrophobicContact CG1-CB 4.36Å; E178-L665 WeakPolarHBondContact OE2-CG 3.12Å; P661-L665 WeakPolarHBondContact O-CB 3.49Å; P661-L665 PolarHBondContact O-N 3.42Å; Q663-L665 VanDerWaalsContact C-N 3.32Å; Q663-L665 PolarHBondContact O-N 3.42Å; L665-L669 WeakPolarHBondContact O-CB 3.41Å; L665-L669 PolarHBondContact O-N 3.34Å; L665-L669 VanDerWaalsContact O-N 3.08Å
666	W	94.1	Very high	92.1	Very high	69 Å²	69	23.4 Å²	23.4	26%	0.261	13%	0.125	S	C	.	.	H	α-helix	trans	-67.1	-40.7	174	-178.9	-92.3	0	0	0	112.6	V662 Q663 L664 V670 T671 I819 F829	V662-W666 PolarHBondContact O-N 3.43Å; Q663-W666 WeakPolarHBondContact O-CB 3.03Å; Q663-W666 PolarHBondContact O-N 3.2Å; Q663-W666 VanDerWaalsContact O-N 3.15Å; L664-W666 VanDerWaalsContact C-N 3.3Å; L664-W666 PolarHBondContact O-N 3.2Å; W666-V670 HydrophobicContact CD2-CB 4.19Å; W666-V670 HydrophobicContact CD2-CG2 4.12Å; W666-V670 HydrophobicContact CE3-CB 4.49Å; W666-V670 HydrophobicContact CE3-CG2 3.92Å; W666-V670 HydrophobicContact CH2-CG1 4.3Å; W666-V670 HydrophobicContact CH2-CG2 4.24Å; W666-V670 HydrophobicContact CZ2-CB 4.29Å; W666-V670 HydrophobicContact CZ2-CG1 3.92Å; W666-V670 HydrophobicContact CZ2-CG2 4.41Å; W666-V670 HydrophobicContact CZ3-CG2 3.99Å; W666-V670 WeakPolarHBondContact O-CA 3.48Å; W666-V670 WeakPolarHBondContact O-CB 3.5Å; W666-V670 PolarHBondContact O-N 2.86Å; W666-T671 PolarHBondContact O-N 2.84Å; W666-I819 HydrophobicContact CZ2-CG2 4.01Å; W666-F829 HydrophobicContact CB-CE1 3.6Å; W666-F829 HydrophobicContact CB-CZ 4.02Å; W666-F829 HydrophobicContact CD2-CE1 4.24Å; W666-F829 AromaticContact CD2-CZ 3.71Å; W666-F829 HydrophobicContact CD2-CZ 3.71Å; W666-F829 HydrophobicContact CE3-CE1 4.42Å; W666-F829 AromaticContact CE3-CZ 3.68Å; W666-F829 HydrophobicContact CE3-CZ 3.68Å; W666-F829 AromaticContact CG-CE1 3.91Å; W666-F829 HydrophobicContact CG-CE1 3.91Å; W666-F829 AromaticContact CG-CZ 3.87Å; W666-F829 HydrophobicContact CG-CZ 3.87Å; W666-F829 HydrophobicContact CZ3-CZ 4.39Å
667	V	93.7	Very high	92.5	Very high	0 Å²	0	24.7 Å²	24.7	0%	0	13%	0.133	C	C	.	.	I	π-helix	trans	-62.3	-55.7	177	173.2	0	0	0	0	110.4	Q663 L664 L669 T671 D672 L773 L776 V777	Q663-V667 WeakPolarHBondContact O-CG2 3.32Å; Q663-V667 PolarHBondContact O-N 3.16Å; L664-V667 PolarHBondContact O-N 3.28Å; V667-L669 VanDerWaalsContact C-N 3.3Å; V667-L669 PolarHBondContact O-N 3.5Å; V667-T671 PolarHBondContact O-N 2.79Å; V667-D672 WeakPolarHBondContact O-CB 3.29Å; V667-D672 PolarHBondContact O-N 3.22Å; V667-L773 HydrophobicContact CG2-CD1 3.58Å; V667-L776 HydrophobicContact CG1-CD2 4.16Å; V667-L776 HydrophobicContact CG1-CG 4.44Å; V667-L776 HydrophobicContact CG2-CD2 4.25Å; V667-V777 HydrophobicContact CG2-CG2 4.21Å
668	N	92.1	Very high	92.8	Very high	1 Å²	1	23.1 Å²	23.1	1%	0.005	13%	0.126	C	C	.	.	I	π-helix	trans	-64.3	-30.7	-176.5	-74.7	-33.7	0	0	0	113.9	E643 L664	E643-N668 PolarHBondContact OE1-OD1 2.94Å; E643-N668 PolarHBondContact OE2-ND2 3.48Å; E643-N668 PolarHBondContact OE2-OD1 2.9Å; L664-N668 WeakPolarHBondContact O-CB 3.07Å; L664-N668 PolarHBondContact O-N 2.94Å; L664-N668 PolarHBondContact O-ND2 3.44Å
669	L	92.2	Very high	92.9	Very high	84 Å²	84	23 Å²	23	44%	0.44	13%	0.126	S	C	.	.	I	π-helix	trans	-91.9	-44.2	-177.9	-172.4	65.1	0	0	0	113.2	L665 V667	L665-L669 WeakPolarHBondContact O-CB 3.41Å; L665-L669 PolarHBondContact O-N 3.34Å; L665-L669 VanDerWaalsContact O-N 3.08Å; V667-L669 VanDerWaalsContact C-N 3.3Å; V667-L669 PolarHBondContact O-N 3.5Å
670	V	93.8	Very high	92.7	Very high	34 Å²	34	22.8 Å²	22.8	21%	0.206	13%	0.125	C	C	.	.	I	π-helix	trans	-107.2	-57.5	-169.9	-177.3	0	0	0	0	111	W666 D672 L674 L815	W666-V670 HydrophobicContact CD2-CB 4.19Å; W666-V670 HydrophobicContact CD2-CG2 4.12Å; W666-V670 HydrophobicContact CE3-CB 4.49Å; W666-V670 HydrophobicContact CE3-CG2 3.92Å; W666-V670 HydrophobicContact CH2-CG1 4.3Å; W666-V670 HydrophobicContact CH2-CG2 4.24Å; W666-V670 HydrophobicContact CZ2-CB 4.29Å; W666-V670 HydrophobicContact CZ2-CG1 3.92Å; W666-V670 HydrophobicContact CZ2-CG2 4.41Å; W666-V670 HydrophobicContact CZ3-CG2 3.99Å; W666-V670 WeakPolarHBondContact O-CA 3.48Å; W666-V670 WeakPolarHBondContact O-CB 3.5Å; W666-V670 PolarHBondContact O-N 2.86Å; V670-D672 PolarHBondContact O-N 3.48Å; V670-L674 WeakPolarHBondContact O-CG 3.34Å; V670-L674 PolarHBondContact O-N 2.79Å; V670-L815 HydrophobicContact CG1-CD1 3.81Å
671	T	94.5	Very high	92.7	Very high	1 Å²	1	25.3 Å²	25.3	1%	0.006	14%	0.136	C	C	.	.	I	π-helix	trans	-61.4	-48.3	-173.6	-53.5	0	0	0	0	111.3	W666 V667 P675 V777 M781 S812	W666-T671 PolarHBondContact O-N 2.84Å; V667-T671 PolarHBondContact O-N 2.79Å; T671-P675 WeakPolarHBondContact O-CD 3.2Å; T671-V777 HydrophobicContact CG2-CB 4.31Å; T671-V777 HydrophobicContact CG2-CG1 3.72Å; T671-V777 HydrophobicContact CG2-CG2 3.94Å; T671-M781 HydrophobicContact CG2-CE 3.9Å; T671-S812 PolarHBondContact O-OG 2.8Å
672	D	94.3	Very high	92.5	Very high	0 Å²	0	24.2 Å²	24.2	0%	0	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89.1	-28.3	-179.3	-69.7	-2.7	0	0	0	112	Y635 L636 S639 V667 V670 L674 P675 A676 E780	Y635-D672 HydrophobicContact CE1-CB 4.11Å; Y635-D672 WeakPolarHBondContact CE1-O 3.45Å; Y635-D672 WeakPolarHBondContact OH-CA 3.05Å; Y635-D672 WeakPolarHBondContact OH-CB 3.22Å; Y635-D672 VanDerWaalsContact OH-CG 3.26Å; Y635-D672 PolarHBondContact OH-OD1 3.42Å; L636-D672 HydrophobicContact CD2-CB 3.83Å; S639-D672 VanDerWaalsContact CB-OD2 3.31Å; S639-D672 WeakPolarHBondContact CB-OD2 3.31Å; S639-D672 PolarHBondContact OG-OD2 3.2Å; V667-D672 WeakPolarHBondContact O-CB 3.29Å; V667-D672 PolarHBondContact O-N 3.22Å; V670-D672 PolarHBondContact O-N 3.48Å; D672-L674 VanDerWaalsContact C-N 3.27Å; D672-L674 PolarHBondContact O-N 3.12Å; D672-P675 WeakPolarHBondContact O-CD 3.09Å; D672-A676 WeakPolarHBondContact O-CB 3.47Å; D672-A676 PolarHBondContact O-N 3.03Å; D672-E780 WeakPolarHBondContact OD1-CB 3.41Å
673	G	93.2	Very high	92	Very high	7 Å²	7	23.2 Å²	23.2	7%	0.072	12%	0.123	C	C	.	.	H	α-helix	trans	-59.3	-36.5	177.8	0	0	0	0	0	113.2	T677	G673-T677 WeakPolarHBondContact O-CB 3.13Å; G673-T677 PolarHBondContact O-N 2.56Å; G673-T677 PolarHBondContact O-OG1 3.4Å
674	L	94.5	Very high	91.4	Very high	55 Å²	55	26.3 Å²	26.3	29%	0.288	14%	0.143	S	C	.	.	H	α-helix	trans	-67.8	-57.4	178.5	-73.1	174	0	0	0	112.5	V670 D672 A676 T677 A678 A808 L811 L815	V670-L674 WeakPolarHBondContact O-CG 3.34Å; V670-L674 PolarHBondContact O-N 2.79Å; D672-L674 VanDerWaalsContact C-N 3.27Å; D672-L674 PolarHBondContact O-N 3.12Å; L674-A676 VanDerWaalsContact C-N 3.32Å; L674-A676 PolarHBondContact O-N 3.24Å; L674-T677 PolarHBondContact O-N 3.01Å; L674-A678 PolarHBondContact O-N 3.29Å; L674-A808 HydrophobicContact CB-CB 4.43Å; L674-L811 HydrophobicContact CD1-CB 4.47Å; L674-L811 HydrophobicContact CD1-CD2 3.81Å; L674-L811 HydrophobicContact CD1-CG 3.89Å; L674-L811 HydrophobicContact CD2-CD2 4.31Å; L674-L815 HydrophobicContact CD1-CD1 3.78Å
675	P	94.4	Very high	90.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.154	C	C	.	.	H	α-helix	trans	-58.8	-39	173.3	-23.3	31.5	0	0	0	113.4	Y635 T671 D672 T677 A678 L679 M781 A784 L805 I809	Y635-P675 HydrophobicContact CE1-CB 4.05Å; T671-P675 WeakPolarHBondContact O-CD 3.2Å; D672-P675 WeakPolarHBondContact O-CD 3.09Å; P675-T677 VanDerWaalsContact C-N 3.3Å; P675-T677 PolarHBondContact O-N 3.45Å; P675-A678 CarbonylContact O-C 3.54Å; P675-A678 WeakPolarHBondContact O-CA 3.14Å; P675-A678 WeakPolarHBondContact O-CB 3.47Å; P675-A678 PolarHBondContact O-N 2.87Å; P675-L679 WeakPolarHBondContact O-CG 3.48Å; P675-L679 PolarHBondContact O-N 3.4Å; P675-M781 HydrophobicContact CG-CE 3.67Å; P675-M781 HydrophobicContact CG-SD 3.86Å; P675-A784 HydrophobicContact CB-CB 3.81Å; P675-L805 HydrophobicContact CB-CD1 3.98Å; P675-I809 HydrophobicContact CG-CG1 4.46Å
676	A	94.2	Very high	89.8	Confident	0 Å²	0	33.5 Å²	33.5	0%	0	18%	0.181	C	C	.	.	H	α-helix	trans	-60.1	-42.1	176.9	0	0	0	0	0	111.6	V183 F632 Y635 L636 D672 L674 A678 L679 G680	V183-A676 HydrophobicContact CG1-CB 3.96Å; V183-A676 HydrophobicContact CG2-CB 3.99Å; F632-A676 HydrophobicContact CB-CB 4.14Å; F632-A676 WeakPolarHBondContact CB-O 3.44Å; Y635-A676 HydrophobicContact CD1-CB 3.93Å; Y635-A676 HydrophobicContact CE1-CB 4.01Å; L636-A676 HydrophobicContact CD1-CB 4.01Å; L636-A676 HydrophobicContact CD2-CB 3.95Å; L636-A676 HydrophobicContact CG-CB 3.96Å; D672-A676 WeakPolarHBondContact O-CB 3.47Å; D672-A676 PolarHBondContact O-N 3.03Å; L674-A676 VanDerWaalsContact C-N 3.32Å; L674-A676 PolarHBondContact O-N 3.24Å; A676-A678 VanDerWaalsContact C-N 3.33Å; A676-L679 PolarHBondContact O-N 3.4Å; A676-G680 PolarHBondContact O-N 3.33Å
677	T	93.4	Very high	89.3	Confident	34 Å²	34	33.3 Å²	33.3	21%	0.209	19%	0.185	C	C	.	.	H	α-helix	trans	-64.6	-39.3	173.2	-56.8	0	0	0	0	111.6	T186 G673 L674 P675 G680 F681	T186-T677 HydrophobicContact CG2-CG2 3.71Å; G673-T677 WeakPolarHBondContact O-CB 3.13Å; G673-T677 PolarHBondContact O-N 2.56Å; G673-T677 PolarHBondContact O-OG1 3.4Å; L674-T677 PolarHBondContact O-N 3.01Å; P675-T677 VanDerWaalsContact C-N 3.3Å; P675-T677 PolarHBondContact O-N 3.45Å; T677-G680 WeakPolarHBondContact O-CA 3.3Å; T677-G680 PolarHBondContact O-N 3.34Å; T677-G680 VanDerWaalsContact O-N 3.12Å; T677-F681 WeakPolarHBondContact O-CD2 3.37Å
678	A	93.5	Very high	88.9	Confident	5 Å²	5	33.9 Å²	33.9	4%	0.041	19%	0.188	C	C	.	.	H	α-helix	trans	-67.4	-34.9	179	0	0	0	0	0	113.3	L674 P675 A676 G680 F681 N802 W804 L805 A808	L674-A678 PolarHBondContact O-N 3.29Å; P675-A678 CarbonylContact O-C 3.54Å; P675-A678 WeakPolarHBondContact O-CA 3.14Å; P675-A678 WeakPolarHBondContact O-CB 3.47Å; P675-A678 PolarHBondContact O-N 2.87Å; A676-A678 VanDerWaalsContact C-N 3.33Å; A678-G680 PolarHBondContact O-N 3.33Å; A678-F681 WeakPolarHBondContact O-CB 3.18Å; A678-F681 PolarHBondContact O-N 3.32Å; A678-N802 PolarHBondContact O-ND2 3.47Å; A678-W804 HydrophobicContact CB-CB 4.38Å; A678-L805 HydrophobicContact CB-CB 4.25Å; A678-L805 HydrophobicContact CB-CD1 4.06Å; A678-A808 HydrophobicContact CB-CB 3.62Å
679	L	91.9	Very high	88.7	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.2	-25.9	171.4	-72.8	173.5	0	0	0	112.2	F632 Y635 P675 A676 F681 N682 S787 L805	F632-L679 HydrophobicContact CB-CB 3.96Å; F632-L679 HydrophobicContact CB-CD1 4.14Å; Y635-L679 HydrophobicContact CD1-CD1 4Å; Y635-L679 HydrophobicContact CG-CD1 4.09Å; P675-L679 WeakPolarHBondContact O-CG 3.48Å; P675-L679 PolarHBondContact O-N 3.4Å; A676-L679 PolarHBondContact O-N 3.4Å; L679-F681 PolarHBondContact O-N 3.38Å; L679-F681 VanDerWaalsContact O-N 3.09Å; L679-N682 WeakPolarHBondContact O-CB 3.31Å; L679-N682 PolarHBondContact O-N 2.95Å; L679-S787 WeakPolarHBondContact CD2-O 3.39Å; L679-L805 HydrophobicContact CD2-CD1 4.09Å; L679-L805 HydrophobicContact CD2-CD2 4Å; L679-L805 HydrophobicContact CG-CD1 4.06Å
680	G	89.2	Confident	88.5	Confident	3 Å²	3	35.2 Å²	35.2	3%	0.031	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.7	-20.3	168.8	0	0	0	0	0	114.3	N628 A676 T677 A678	N628-G680 PolarHBondContact ND2-O 3.18Å; A676-G680 PolarHBondContact O-N 3.33Å; T677-G680 WeakPolarHBondContact O-CA 3.3Å; T677-G680 PolarHBondContact O-N 3.34Å; T677-G680 VanDerWaalsContact O-N 3.12Å; A678-G680 PolarHBondContact O-N 3.33Å
681	F	88.2	Confident	88	Confident	66 Å²	66	38.7 Å²	38.7	29%	0.289	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	14.3	178.1	-64.4	-86.3	0	0	0	114.2	L190 T677 A678 L679	L190-F681 HydrophobicContact CB-CZ 4.49Å; L190-F681 HydrophobicContact CD1-CE1 3.99Å; L190-F681 HydrophobicContact CD1-CE2 3.6Å; L190-F681 HydrophobicContact CD1-CZ 3.19Å; L190-F681 HydrophobicContact CD2-CE1 4.28Å; L190-F681 HydrophobicContact CD2-CZ 3.89Å; L190-F681 HydrophobicContact CG-CZ 4.04Å; T677-F681 WeakPolarHBondContact O-CD2 3.37Å; A678-F681 WeakPolarHBondContact O-CB 3.18Å; A678-F681 PolarHBondContact O-N 3.32Å; L679-F681 PolarHBondContact O-N 3.38Å; L679-F681 VanDerWaalsContact O-N 3.09Å
682	N	85.7	Confident	87.8	Confident	7 Å²	7	45.2 Å²	45.2	4%	0.037	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-57.6	142.7	173	-79.6	-7	0	0	0	111	N628 L679 L788 N802	N628-N682 PolarHBondContact ND2-N 2.91Å; N628-N682 PolarHBondContact ND2-O 3.06Å; N628-N682 WeakPolarHBondContact OD1-CB 3.43Å; L679-N682 WeakPolarHBondContact O-CB 3.31Å; L679-N682 PolarHBondContact O-N 2.95Å; N682-L788 PolarHBondContact ND2-O 3.01Å; N682-L788 VanDerWaalsContact ND2-O 3.17Å; N682-N802 PolarHBondContact OD1-ND2 2.84Å
683	P	81.7	Confident	87.7	Confident	52 Å²	52	46.5 Å²	46.5	34%	0.338	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-63.6	145.6	174.9	27.1	-33	0	0	0	110.4	W801	P683-W801 HydrophobicContact CG-CE3 3.92Å; P683-W801 HydrophobicContact CG-CZ3 4.44Å
684	P	80.9	Confident	87.4	Confident	65 Å²	65	47.6 Å²	47.6	42%	0.422	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-65.6	150	176	28.3	-34.2	0	0	0	111.5	A624	A624-P684 HydrophobicContact CB-CB 3.78Å
685	D	76.9	Confident	87	Confident	43 Å²	43	48 Å²	48	23%	0.23	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-61.2	139.4	169.9	-73.6	-15.7	0	0	0	110.4	D687 I688 R691	D685-D687 PolarHBondContact O-N 3.4Å; D685-I688 HydrophobicContact CB-CB 4.4Å; D685-I688 HydrophobicContact CB-CD1 4.45Å; D685-I688 VanDerWaalsContact O-CB 3.31Å; D685-I688 WeakPolarHBondContact O-CB 3.38Å; D685-I688 WeakPolarHBondContact O-CG2 3.36Å; D685-I688 PolarHBondContact O-N 2.98Å; D685-R691 IonicContact OD2-CZ 3.09Å; D685-R691 IonicContact OD2-NH1 3.9Å; D685-R691 PolarHBondContact OD2-NH1 2.66Å; D685-R691 IonicContact OD2-NH2 2.87Å; D685-R691 PolarHBondContact OD2-NH2 2.83Å
686	L	74.5	Confident	86.3	Confident	178 Å²	178	49.5 Å²	49.5	93%	0.932	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.5	-27.3	-179.6	-65.8	172.8	0	0	0	113.1
687	D	82.3	Confident	85.7	Confident	64 Å²	64	55.8 Å²	55.8	34%	0.342	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.9	16.3	-179	67.3	-44.5	0	0	0	112.7	D685 M689 D690 R691	D685-D687 PolarHBondContact O-N 3.4Å; D687-M689 PolarHBondContact O-N 3.19Å; D687-M689 VanDerWaalsContact O-N 3.16Å; D687-D690 HydrophobicContact CB-CB 4.3Å; D687-D690 PolarHBondContact O-N 3.41Å; D687-R691 VanDerWaalsContact CG-NH2 3.26Å; D687-R691 PolarHBondContact O-N 2.91Å; D687-R691 IonicContact OD1-CZ 3.3Å; D687-R691 IonicContact OD1-NE 3.95Å; D687-R691 IonicContact OD1-NH2 2.77Å; D687-R691 PolarHBondContact OD1-NH2 2.73Å; D687-R691 IonicContact OD2-CZ 3.13Å; D687-R691 VanDerWaalsContact OD2-CZ 3.31Å; D687-R691 IonicContact OD2-NE 3.56Å; D687-R691 PolarHBondContact OD2-NE 2.86Å; D687-R691 IonicContact OD2-NH2 3.46Å; D687-R691 PolarHBondContact OD2-NH2 3Å
688	I	85.3	Confident	85	Confident	12 Å²	12	57.6 Å²	57.6	6%	0.062	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-30.8	-175.1	-160.7	69	0	0	0	113.2	E620 R623 D685	E620-I688 HydrophobicContact CG-CG2 3.84Å; R623-I688 HydrophobicContact CB-CD1 3.91Å; R623-I688 HydrophobicContact CB-CG1 3.52Å; R623-I688 WeakPolarHBondContact CD-O 3.36Å; R623-I688 HydrophobicContact CG-CG1 4.49Å; R623-I688 PolarHBondContact NH1-O 2.56Å; D685-I688 HydrophobicContact CB-CB 4.4Å; D685-I688 HydrophobicContact CB-CD1 4.45Å; D685-I688 VanDerWaalsContact O-CB 3.31Å; D685-I688 WeakPolarHBondContact O-CB 3.38Å; D685-I688 WeakPolarHBondContact O-CG2 3.36Å; D685-I688 PolarHBondContact O-N 2.98Å
689	M	88.4	Confident	84.2	Confident	30 Å²	30	60.3 Å²	60.3	15%	0.148	33%	0.325	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	1.6	176.4	-68.4	-58.2	-74.3	0	0	113.9	A489 V616 E620 D687	A489-M689 WeakPolarHBondContact CA-O 3.49Å; A489-M689 HydrophobicContact CB-CE 3.74Å; A489-M689 VanDerWaalsContact CB-O 3.29Å; A489-M689 WeakPolarHBondContact CB-O 3.4Å; A489-M689 HydrophobicContact CB-SD 4.36Å; A489-M689 PolarHBondContact N-O 3.39Å; V616-M689 HydrophobicContact CG1-CE 3.66Å; E620-M689 HydrophobicContact CB-CG 4.15Å; E620-M689 HydrophobicContact CB-SD 3.81Å; E620-M689 HydrophobicContact CG-CG 3.95Å; E620-M689 HydrophobicContact CG-SD 4.21Å; D687-M689 PolarHBondContact O-N 3.19Å; D687-M689 VanDerWaalsContact O-N 3.16Å
690	D	87.8	Confident	83.3	Confident	83 Å²	83	60.9 Å²	60.9	44%	0.444	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.2	-8.3	176.1	-66	-8.8	0	0	0	112	K488 D687	K488-D690 WeakPolarHBondContact CD-OD1 3.49Å; K488-D690 WeakPolarHBondContact CE-OD1 3.36Å; K488-D690 VanDerWaalsContact NZ-CG 3.33Å; K488-D690 IonicContact NZ-OD1 2.72Å; K488-D690 PolarHBondContact NZ-OD1 2.93Å; K488-D690 IonicContact NZ-OD2 2.77Å; K488-D690 PolarHBondContact NZ-OD2 3.44Å; D687-D690 HydrophobicContact CB-CB 4.3Å; D687-D690 PolarHBondContact O-N 3.41Å
691	R	83.5	Confident	82.7	Confident	108 Å²	108	62.4 Å²	62.4	41%	0.408	34%	0.335	S	S	.	.	S	Bend	trans	-89.2	148.8	176.8	-61.6	178.5	-169.9	164.3	8.5	110.6	A489 R623 D685 D687	A489-R691 CarbonylContact C-O 3.59Å; R623-R691 PolarHBondContact NH1-O 3.27Å; D685-R691 IonicContact OD2-CZ 3.09Å; D685-R691 IonicContact OD2-NH1 3.9Å; D685-R691 PolarHBondContact OD2-NH1 2.66Å; D685-R691 IonicContact OD2-NH2 2.87Å; D685-R691 PolarHBondContact OD2-NH2 2.83Å; D687-R691 VanDerWaalsContact CG-NH2 3.26Å; D687-R691 PolarHBondContact O-N 2.91Å; D687-R691 IonicContact OD1-CZ 3.3Å; D687-R691 IonicContact OD1-NE 3.95Å; D687-R691 IonicContact OD1-NH2 2.77Å; D687-R691 PolarHBondContact OD1-NH2 2.73Å; D687-R691 IonicContact OD2-CZ 3.13Å; D687-R691 VanDerWaalsContact OD2-CZ 3.31Å; D687-R691 IonicContact OD2-NE 3.56Å; D687-R691 PolarHBondContact OD2-NE 2.86Å; D687-R691 IonicContact OD2-NH2 3.46Å; D687-R691 PolarHBondContact OD2-NH2 3Å
692	L	90.5	Very high	82.2	Confident	137 Å²	137	61.7 Å²	61.7	72%	0.717	34%	0.338	S	S	*	.	P	Polyproline II helix	trans	-64.7	155.9	171.7	-65.9	173.3	0	0	0	110.9	R694	L692-R694 PolarHBondContact O-N 3.48Å
693	P	92	Very high	82.1	Confident	28 Å²	28	70.8 Å²	70.8	18%	0.182	38%	0.377	C	S	.	.	P	Polyproline II helix	trans	-55.2	137.4	171.2	-21.3	33.5	0	0	0	110.3	T214 A489 G490 I491	T214-P693 WeakPolarHBondContact O-CG 3.42Å; A489-P693 WeakPolarHBondContact O-CD 3.28Å; G490-P693 WeakPolarHBondContact O-CD 3.43Å; G490-P693 WeakPolarHBondContact O-CG 3.37Å; I491-P693 HydrophobicContact CG1-CG 4.13Å
694	R	86.7	Confident	82.2	Confident	29 Å²	29	71.2 Å²	71.2	11%	0.109	37%	0.372	C	S	.	.	P	Polyproline II helix	trans	-64.3	147.7	178.7	73.2	175.7	-178.5	111.9	14.8	110.4	E209 C213 Y626 L692	E209-R694 VanDerWaalsContact CD-NH2 3.26Å; E209-R694 IonicContact OE1-CZ 3.87Å; E209-R694 VanDerWaalsContact OE1-CZ 3.27Å; E209-R694 IonicContact OE1-NH1 3.2Å; E209-R694 IonicContact OE1-NH2 2.72Å; E209-R694 PolarHBondContact OE1-NH2 2.78Å; E209-R694 IonicContact OE2-NH2 3.34Å; C213-R694 HydrophobicContact CB-CG 4.26Å; C213-R694 PolarHBondContact SG-NE 3.27Å; C213-R694 PolarHBondContact SG-NH2 2.83Å; Y626-R694 VanDerWaalsContact CE1-CD 3.48Å; Y626-R694 VanDerWaalsContact CE2-CZ 3.44Å; Y626-R694 PolarHBondContact OH-NH1 3.19Å; L692-R694 PolarHBondContact O-N 3.48Å
695	S	85.7	Confident	82.3	Confident	63 Å²	63	68.1 Å²	68.1	44%	0.441	35%	0.352	S	S	.	.	P	Polyproline II helix	trans	-68.1	135.8	169.9	-178	0	0	0	0	109.6	N697 E698	S695-N697 PolarHBondContact O-N 2.84Å; S695-N697 VanDerWaalsContact O-N 3.11Å; S695-N697 PolarHBondContact OG-N 3.49Å; S695-E698 VanDerWaalsContact O-CB 3.31Å; S695-E698 WeakPolarHBondContact O-CB 3.44Å; S695-E698 PolarHBondContact O-N 2.82Å
696	P	80.8	Confident	82.6	Confident	32 Å²	32	71.2 Å²	71.2	21%	0.208	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25	171.8	-25.2	35.4	0	0	0	113	K121 I569 E698	K121-P696 WeakPolarHBondContact CE-O 3.2Å; I569-P696 HydrophobicContact CD1-CB 4.27Å; I569-P696 HydrophobicContact CD1-CG 3.66Å; I569-P696 HydrophobicContact CG1-CG 3.65Å; P696-E698 VanDerWaalsContact C-N 3.35Å
697	N	80	Confident	83.3	Confident	133 Å²	133	68.1 Å²	68.1	71%	0.711	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.4	-0.7	179.6	-65	-34.5	0	0	0	113.5	S695 S699	S695-N697 PolarHBondContact O-N 2.84Å; S695-N697 VanDerWaalsContact O-N 3.11Å; S695-N697 PolarHBondContact OG-N 3.49Å; N697-S699 PolarHBondContact O-N 2.84Å
698	E	79.8	Confident	83.6	Confident	71 Å²	71	65.4 Å²	65.4	33%	0.332	33%	0.328	S	S	.	.			trans	-63.2	124.2	175.7	-167.3	-169.5	147.3	0	0	110	K630 S695 P696	K630-E698 IonicContact NZ-OE1 3.07Å; K630-E698 PolarHBondContact NZ-OE1 3.36Å; S695-E698 VanDerWaalsContact O-CB 3.31Å; S695-E698 WeakPolarHBondContact O-CB 3.44Å; S695-E698 PolarHBondContact O-N 2.82Å; P696-E698 VanDerWaalsContact C-N 3.35Å
699	S	75.7	Confident	83.6	Confident	62 Å²	62	65.2 Å²	65.2	43%	0.434	33%	0.327	S	S	.	.			trans	-71.4	140.6	174.6	54	0	0	0	0	111.1	N697 I701	N697-S699 PolarHBondContact O-N 2.84Å; S699-I701 PolarHBondContact O-N 3.3Å; S699-I701 PolarHBondContact OG-O 3.2Å
700	L	74.6	Confident	83.5	Confident	12 Å²	12	66.8 Å²	66.8	6%	0.063	34%	0.335	C	S	.	.	S	Bend	trans	-56.2	-32.1	174	-73.2	162.1	0	0	0	112.6	K121 Y626 K630 I633	K121-L700 HydrophobicContact CB-CD1 4.22Å; Y626-L700 HydrophobicContact CE2-CD2 4.27Å; K630-L700 WeakPolarHBondContact CE-O 3.2Å; K630-L700 HydrophobicContact CG-CD2 4.24Å; I633-L700 HydrophobicContact CD1-CD2 4.19Å
701	I	76.3	Confident	83.7	Confident	35 Å²	35	64.4 Å²	64.4	18%	0.179	33%	0.327	C	S	.	.	S	Bend	trans	-122.6	116.1	-178.6	-52.6	175.3	0	0	0	109.6	I637 S699 L705 F706 Y709	I637-I701 HydrophobicContact CD1-CD1 3.85Å; I637-I701 HydrophobicContact CG2-CD1 4.35Å; S699-I701 PolarHBondContact O-N 3.3Å; S699-I701 PolarHBondContact OG-O 3.2Å; I701-L705 HydrophobicContact CG2-CB 4.33Å; I701-L705 HydrophobicContact CG2-CD2 4.32Å; I701-F706 HydrophobicContact CG2-CB 3.69Å; I701-F706 HydrophobicContact CG2-CD2 4.22Å; I701-F706 HydrophobicContact CG2-CG 4.47Å; I701-Y709 HydrophobicContact CG2-CD2 4.44Å
702	S	77.5	Confident	84	Confident	51 Å²	51	59.3 Å²	59.3	36%	0.357	31%	0.307	S	S	.	.			trans	-78.5	162.7	173.5	78.5	0	0	0	0	111.3	W704 L705 F706	S702-W704 VanDerWaalsContact C-N 3.32Å; S702-W704 PolarHBondContact O-N 3.5Å; S702-L705 WeakPolarHBondContact O-CB 3.31Å; S702-L705 PolarHBondContact O-N 3.02Å; S702-L705 VanDerWaalsContact O-N 3.11Å; S702-L705 VanDerWaalsContact OG-CB 3.29Å; S702-L705 WeakPolarHBondContact OG-CB 3.42Å; S702-L705 PolarHBondContact OG-N 2.65Å; S702-F706 WeakPolarHBondContact O-CB 3.39Å; S702-F706 PolarHBondContact O-N 3.27Å
703	K	82.6	Confident	84.1	Confident	199 Å²	199	52.8 Å²	52.8	87%	0.865	27%	0.273	S	S	*	.	H	α-helix	trans	-56.9	-42.1	-179.1	-67.1	-177.2	-179.5	178.6	0	113.4	F707	K703-F707 PolarHBondContact O-N 2.76Å; K703-F707 VanDerWaalsContact O-N 3.17Å
704	W	85.6	Confident	84	Confident	60 Å²	60	54.9 Å²	54.9	23%	0.227	29%	0.285	C	S	.	.	H	α-helix	trans	-66.3	-43.9	176.6	171.2	-114.3	0	0	0	111.4	S702 F706 F707 R708 L856 I859 I864	S702-W704 VanDerWaalsContact C-N 3.32Å; S702-W704 PolarHBondContact O-N 3.5Å; W704-F706 VanDerWaalsContact C-N 3.31Å; W704-F706 PolarHBondContact O-N 3.28Å; W704-F707 AromaticContact CE3-CD1 3.99Å; W704-F707 HydrophobicContact CE3-CD1 3.99Å; W704-F707 HydrophobicContact CH2-CD1 4.2Å; W704-F707 HydrophobicContact CH2-CE1 4.29Å; W704-F707 AromaticContact CZ3-CD1 3.65Å; W704-F707 HydrophobicContact CZ3-CD1 3.65Å; W704-F707 AromaticContact CZ3-CE1 3.99Å; W704-F707 HydrophobicContact CZ3-CE1 3.99Å; W704-F707 WeakPolarHBondContact O-CB 3.31Å; W704-F707 PolarHBondContact O-N 3.13Å; W704-R708 PolarHBondContact O-N 2.86Å; W704-L856 HydrophobicContact CH2-CD2 4.37Å; W704-L856 HydrophobicContact CZ2-CD2 4.42Å; W704-I859 HydrophobicContact CH2-CB 4.48Å; W704-I859 HydrophobicContact CH2-CG2 3.72Å; W704-I859 HydrophobicContact CZ2-CB 4.3Å; W704-I859 HydrophobicContact CZ2-CG2 3.86Å; W704-I864 HydrophobicContact CB-CD1 4.34Å; W704-I864 HydrophobicContact CD2-CD1 3.04Å; W704-I864 HydrophobicContact CE3-CD1 3.27Å; W704-I864 HydrophobicContact CG-CD1 3.52Å; W704-I864 HydrophobicContact CG-CG2 4.46Å; W704-I864 HydrophobicContact CH2-CD1 3.72Å; W704-I864 HydrophobicContact CZ2-CD1 3.53Å; W704-I864 HydrophobicContact CZ3-CD1 3.6Å
705	L	81.8	Confident	84.4	Confident	1 Å²	1	56.1 Å²	56.1	1%	0.005	29%	0.29	C	S	.	.	H	α-helix	trans	-65.3	-39	-178.7	-156.9	84	0	0	0	111.5	R634 I701 S702 R708 Y709 E790	R634-L705 HydrophobicContact CG-CD2 4.02Å; R634-L705 VanDerWaalsContact NE-CD2 3.3Å; R634-L705 VanDerWaalsContact NH1-CD1 3.28Å; I701-L705 HydrophobicContact CG2-CB 4.33Å; I701-L705 HydrophobicContact CG2-CD2 4.32Å; S702-L705 WeakPolarHBondContact O-CB 3.31Å; S702-L705 PolarHBondContact O-N 3.02Å; S702-L705 VanDerWaalsContact O-N 3.11Å; S702-L705 VanDerWaalsContact OG-CB 3.29Å; S702-L705 WeakPolarHBondContact OG-CB 3.42Å; S702-L705 PolarHBondContact OG-N 2.65Å; L705-R708 WeakPolarHBondContact O-CB 3.35Å; L705-R708 PolarHBondContact O-N 3.46Å; L705-Y709 HydrophobicContact CB-CE2 4.36Å; L705-Y709 HydrophobicContact CD1-CE2 4.37Å; L705-Y709 WeakPolarHBondContact CD1-OH 3.38Å; L705-Y709 HydrophobicContact CD2-CE2 3.43Å; L705-Y709 VanDerWaalsContact CD2-CE2 3.43Å; L705-Y709 WeakPolarHBondContact CD2-OH 3.47Å; L705-Y709 HydrophobicContact CG-CD2 4.27Å; L705-Y709 HydrophobicContact CG-CE2 3.38Å; L705-Y709 WeakPolarHBondContact CG-OH 3.48Å; L705-Y709 WeakPolarHBondContact O-CD2 3.2Å; L705-Y709 PolarHBondContact O-N 2.75Å; L705-E790 HydrophobicContact CD1-CG 4.42Å
706	F	83.4	Confident	84.8	Confident	107 Å²	107	53.1 Å²	53.1	47%	0.469	27%	0.269	S	S	.	.	H	α-helix	trans	-58.5	-47	172	-175.5	-108	0	0	0	111.6	I701 S702 W704 R708 Y709 I710	I701-F706 HydrophobicContact CG2-CB 3.69Å; I701-F706 HydrophobicContact CG2-CD2 4.22Å; I701-F706 HydrophobicContact CG2-CG 4.47Å; S702-F706 WeakPolarHBondContact O-CB 3.39Å; S702-F706 PolarHBondContact O-N 3.27Å; W704-F706 VanDerWaalsContact C-N 3.31Å; W704-F706 PolarHBondContact O-N 3.28Å; F706-R708 PolarHBondContact O-N 3.5Å; F706-Y709 PolarHBondContact O-N 2.86Å; F706-I710 HydrophobicContact CD1-CD1 3.8Å; F706-I710 HydrophobicContact CE1-CD1 3.27Å; F706-I710 HydrophobicContact CE1-CG1 4.27Å; F706-I710 HydrophobicContact CE2-CD1 4.38Å; F706-I710 HydrophobicContact CZ-CD1 3.61Å; F706-I710 HydrophobicContact CZ-CG1 4.33Å; F706-I710 WeakPolarHBondContact O-CG1 3.43Å; F706-I710 PolarHBondContact O-N 3.35Å
707	F	88.6	Confident	85.4	Confident	114 Å²	114	51.6 Å²	51.6	50%	0.5	26%	0.259	S	S	.	.	H	α-helix	trans	-59.7	-44.4	175.1	171.3	-98.4	0	0	0	112.4	K703 W704 Y709 I710 A711	K703-F707 PolarHBondContact O-N 2.76Å; K703-F707 VanDerWaalsContact O-N 3.17Å; W704-F707 AromaticContact CE3-CD1 3.99Å; W704-F707 HydrophobicContact CE3-CD1 3.99Å; W704-F707 HydrophobicContact CH2-CD1 4.2Å; W704-F707 HydrophobicContact CH2-CE1 4.29Å; W704-F707 AromaticContact CZ3-CD1 3.65Å; W704-F707 HydrophobicContact CZ3-CD1 3.65Å; W704-F707 AromaticContact CZ3-CE1 3.99Å; W704-F707 HydrophobicContact CZ3-CE1 3.99Å; W704-F707 WeakPolarHBondContact O-CB 3.31Å; W704-F707 PolarHBondContact O-N 3.13Å; F707-Y709 VanDerWaalsContact C-N 3.31Å; F707-Y709 PolarHBondContact O-N 3.2Å; F707-I710 PolarHBondContact O-N 2.9Å; F707-A711 PolarHBondContact O-N 3.37Å
708	R	89	Confident	86	Confident	6 Å²	6	47 Å²	47	2%	0.023	24%	0.24	C	C	.	.	H	α-helix	trans	-57.9	-43.3	176.9	170.8	169.4	172.1	-153.1	-10.7	112	W704 L705 F706 A711 I712 E790 D853 L856	W704-R708 PolarHBondContact O-N 2.86Å; L705-R708 WeakPolarHBondContact O-CB 3.35Å; L705-R708 PolarHBondContact O-N 3.46Å; F706-R708 PolarHBondContact O-N 3.5Å; R708-A711 PolarHBondContact O-N 3.35Å; R708-I712 HydrophobicContact CG-CD1 4.02Å; R708-I712 WeakPolarHBondContact O-CG1 3.5Å; R708-I712 PolarHBondContact O-N 3.23Å; R708-E790 PolarHBondContact NH1-O 2.94Å; R708-D853 IonicContact CZ-OD1 3.61Å; R708-D853 IonicContact CZ-OD2 2.69Å; R708-D853 IonicContact NE-OD1 2.82Å; R708-D853 PolarHBondContact NE-OD1 2.89Å; R708-D853 IonicContact NH2-OD1 2.73Å; R708-D853 PolarHBondContact NH2-OD1 3.1Å; R708-D853 IonicContact NH2-OD2 3.12Å; R708-D853 PolarHBondContact NH2-OD2 3.45Å; R708-L856 HydrophobicContact CB-CD1 4.38Å; R708-L856 HydrophobicContact CG-CB 4.16Å; R708-L856 HydrophobicContact CG-CD1 3.84Å
709	Y	84.7	Confident	86.8	Confident	9 Å²	9	44.1 Å²	44.1	4%	0.035	23%	0.228	C	C	.	.	H	α-helix	trans	-72.5	-32.8	177.9	-58.8	-39.5	0	0	0	113.7	R634 I701 L705 F706 F707 A711 I712 G713	R634-Y709 HydrophobicContact CB-CE1 4.42Å; R634-Y709 HydrophobicContact CB-CE2 3.79Å; R634-Y709 VanDerWaalsContact CB-OH 3.31Å; R634-Y709 WeakPolarHBondContact CB-OH 3.27Å; R634-Y709 VanDerWaalsContact CD-OH 3.23Å; R634-Y709 WeakPolarHBondContact CD-OH 3.37Å; R634-Y709 HydrophobicContact CG-CE2 3.74Å; R634-Y709 WeakPolarHBondContact CG-OH 3.44Å; I701-Y709 HydrophobicContact CG2-CD2 4.44Å; L705-Y709 HydrophobicContact CB-CE2 4.36Å; L705-Y709 HydrophobicContact CD1-CE2 4.37Å; L705-Y709 WeakPolarHBondContact CD1-OH 3.38Å; L705-Y709 HydrophobicContact CD2-CE2 3.43Å; L705-Y709 VanDerWaalsContact CD2-CE2 3.43Å; L705-Y709 WeakPolarHBondContact CD2-OH 3.47Å; L705-Y709 HydrophobicContact CG-CD2 4.27Å; L705-Y709 HydrophobicContact CG-CE2 3.38Å; L705-Y709 WeakPolarHBondContact CG-OH 3.48Å; L705-Y709 WeakPolarHBondContact O-CD2 3.2Å; L705-Y709 PolarHBondContact O-N 2.75Å; F706-Y709 PolarHBondContact O-N 2.86Å; F707-Y709 VanDerWaalsContact C-N 3.31Å; F707-Y709 PolarHBondContact O-N 3.2Å; Y709-A711 VanDerWaalsContact C-N 3.31Å; Y709-I712 HydrophobicContact CD1-CD1 4.47Å; Y709-I712 PolarHBondContact O-N 2.76Å; Y709-G713 PolarHBondContact O-N 3Å
710	I	87.2	Confident	87.7	Confident	63 Å²	63	41.1 Å²	41.1	32%	0.323	21%	0.208	S	C	.	.	H	α-helix	trans	-61	-44.2	168.9	-72.7	178.4	0	0	0	110.2	F706 F707 I712 G713 V714	F706-I710 HydrophobicContact CD1-CD1 3.8Å; F706-I710 HydrophobicContact CE1-CD1 3.27Å; F706-I710 HydrophobicContact CE1-CG1 4.27Å; F706-I710 HydrophobicContact CE2-CD1 4.38Å; F706-I710 HydrophobicContact CZ-CD1 3.61Å; F706-I710 HydrophobicContact CZ-CG1 4.33Å; F706-I710 WeakPolarHBondContact O-CG1 3.43Å; F706-I710 PolarHBondContact O-N 3.35Å; F707-I710 PolarHBondContact O-N 2.9Å; I710-I712 PolarHBondContact O-N 2.89Å; I710-G713 PolarHBondContact O-N 3.23Å; I710-V714 HydrophobicContact CG2-CG2 4.1Å; I710-V714 VanDerWaalsContact O-CB 3.29Å; I710-V714 WeakPolarHBondContact O-CB 3.17Å; I710-V714 WeakPolarHBondContact O-CG2 3.12Å; I710-V714 PolarHBondContact O-N 3.2Å
711	A	91.3	Very high	88.6	Confident	33 Å²	33	40.7 Å²	40.7	27%	0.273	21%	0.206	S	C	.	.	H	α-helix	trans	-62.2	-44.2	179.8	0	0	0	0	0	112.2	F707 R708 Y709 Y715 L856	F707-A711 PolarHBondContact O-N 3.37Å; R708-A711 PolarHBondContact O-N 3.35Å; Y709-A711 VanDerWaalsContact C-N 3.31Å; A711-Y715 PolarHBondContact O-N 2.99Å; A711-Y715 VanDerWaalsContact O-N 3.1Å; A711-L856 HydrophobicContact CB-CD1 4.2Å
712	I	91	Very high	89.4	Confident	0 Å²	0	39.2 Å²	39.2	0%	0	20%	0.199	C	C	.	.	H	α-helix	trans	-68.5	-46.4	177.6	-63.4	166.5	0	0	0	110.9	R708 Y709 I710 V714 Y715 V716 V849 D853 L856	R708-I712 HydrophobicContact CG-CD1 4.02Å; R708-I712 WeakPolarHBondContact O-CG1 3.5Å; R708-I712 PolarHBondContact O-N 3.23Å; Y709-I712 HydrophobicContact CD1-CD1 4.47Å; Y709-I712 PolarHBondContact O-N 2.76Å; I710-I712 PolarHBondContact O-N 2.89Å; I712-V714 PolarHBondContact O-N 3.29Å; I712-Y715 WeakPolarHBondContact O-CA 3.17Å; I712-Y715 WeakPolarHBondContact O-CB 3.21Å; I712-Y715 PolarHBondContact O-N 3.42Å; I712-Y715 VanDerWaalsContact O-N 3.12Å; I712-V716 HydrophobicContact CG2-CG2 4.23Å; I712-V716 WeakPolarHBondContact O-CG2 3.49Å; I712-V716 PolarHBondContact O-N 3.07Å; I712-V849 HydrophobicContact CG2-CG2 4.05Å; I712-D853 HydrophobicContact CD1-CB 4.24Å; I712-D853 WeakPolarHBondContact CD1-OD1 3.23Å; I712-L856 HydrophobicContact CG1-CD1 4.42Å
713	G	91	Very high	90.2	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	18%	0.182	C	C	.	.	H	α-helix	trans	-62.1	-42.3	178.2	0	0	0	0	0	112.3	G642 Y709 I710 Y715 V716 G717	G642-G713 VanDerWaalsContact CA-O 3.23Å; G642-G713 WeakPolarHBondContact CA-O 3.29Å; Y709-G713 PolarHBondContact O-N 3Å; I710-G713 PolarHBondContact O-N 3.23Å; G713-Y715 VanDerWaalsContact C-N 3.28Å; G713-Y715 PolarHBondContact O-N 2.82Å; G713-V716 PolarHBondContact O-N 2.74Å; G713-G717 PolarHBondContact O-N 2.76Å
714	V	91.2	Very high	90.6	Very high	72 Å²	72	27.4 Å²	27.4	44%	0.436	14%	0.141	S	C	.	.	H	α-helix	trans	-61.2	-40	173.8	169.9	0	0	0	0	111.2	V645 I710 I712 A718	V645-V714 HydrophobicContact CG2-CG2 4.19Å; I710-V714 HydrophobicContact CG2-CG2 4.1Å; I710-V714 VanDerWaalsContact O-CB 3.29Å; I710-V714 WeakPolarHBondContact O-CB 3.17Å; I710-V714 WeakPolarHBondContact O-CG2 3.12Å; I710-V714 PolarHBondContact O-N 3.2Å; I712-V714 PolarHBondContact O-N 3.29Å; V714-A718 VanDerWaalsContact O-CB 3.29Å; V714-A718 WeakPolarHBondContact O-CB 3.44Å; V714-A718 PolarHBondContact O-N 3.28Å
715	Y	95	Very high	90.9	Very high	55 Å²	55	24.8 Å²	24.8	22%	0.216	13%	0.132	C	C	.	.	H	α-helix	trans	-61.7	-47.6	173.6	178.6	-96.8	0	0	0	112	A711 I712 G713 G717 A718 A719 I779 I845 P848 V849 I852	A711-Y715 PolarHBondContact O-N 2.99Å; A711-Y715 VanDerWaalsContact O-N 3.1Å; I712-Y715 WeakPolarHBondContact O-CA 3.17Å; I712-Y715 WeakPolarHBondContact O-CB 3.21Å; I712-Y715 PolarHBondContact O-N 3.42Å; I712-Y715 VanDerWaalsContact O-N 3.12Å; G713-Y715 VanDerWaalsContact C-N 3.28Å; G713-Y715 PolarHBondContact O-N 2.82Å; Y715-G717 PolarHBondContact O-N 3.45Å; Y715-A718 PolarHBondContact O-N 2.7Å; Y715-A719 HydrophobicContact CE1-CB 4.43Å; Y715-A719 WeakPolarHBondContact O-CB 3.44Å; Y715-A719 PolarHBondContact O-N 2.99Å; Y715-I779 HydrophobicContact CD1-CD1 4.42Å; Y715-I779 HydrophobicContact CE1-CD1 4.04Å; Y715-I845 PolarHBondContact OH-O 2.9Å; Y715-P848 WeakPolarHBondContact OH-CB 3.39Å; Y715-P848 WeakPolarHBondContact OH-CG 3.37Å; Y715-V849 HydrophobicContact CD1-CB 4.23Å; Y715-V849 HydrophobicContact CD1-CG2 4.25Å; Y715-V849 HydrophobicContact CE1-CB 3.99Å; Y715-I852 HydrophobicContact CD1-CD1 4.13Å; Y715-I852 HydrophobicContact CD2-CD1 3.43Å; Y715-I852 VanDerWaalsContact CD2-CD1 3.43Å; Y715-I852 HydrophobicContact CE1-CD1 4.31Å; Y715-I852 HydrophobicContact CE2-CD1 3.61Å; Y715-I852 HydrophobicContact CG-CD1 3.69Å
716	V	94	Very high	91.5	Very high	0 Å²	0	25.4 Å²	25.4	0%	0	13%	0.134	C	C	.	.	H	α-helix	trans	-56.8	-52.5	177.8	177.4	0	0	0	0	110.1	I712 G713 A718 A719 T720 L776 I779	I712-V716 HydrophobicContact CG2-CG2 4.23Å; I712-V716 WeakPolarHBondContact O-CG2 3.49Å; I712-V716 PolarHBondContact O-N 3.07Å; G713-V716 PolarHBondContact O-N 2.74Å; V716-A718 VanDerWaalsContact C-N 3.35Å; V716-A718 PolarHBondContact O-N 2.83Å; V716-A719 WeakPolarHBondContact O-CB 3.19Å; V716-A719 PolarHBondContact O-N 3.12Å; V716-A719 VanDerWaalsContact O-N 3.14Å; V716-T720 HydrophobicContact CG1-CG2 4.5Å; V716-T720 WeakPolarHBondContact O-CG2 3.35Å; V716-T720 PolarHBondContact O-N 2.86Å; V716-T720 PolarHBondContact O-OG1 2.85Å; V716-L776 HydrophobicContact CG1-CD1 3.55Å; V716-I779 HydrophobicContact CB-CG2 4.47Å; V716-I779 HydrophobicContact CG2-CG2 3.53Å
717	G	92.8	Very high	91.9	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-65.9	-34	-177.8	0	0	0	0	0	114	G642 G713 Y715 T720 V721	G642-G717 WeakPolarHBondContact O-CA 3.41Å; G713-G717 PolarHBondContact O-N 2.76Å; Y715-G717 PolarHBondContact O-N 3.45Å; G717-T720 PolarHBondContact O-OG1 2.92Å; G717-V721 WeakPolarHBondContact O-CG2 3.45Å; G717-V721 PolarHBondContact O-N 3.11Å
718	A	94	Very high	92	Very high	37 Å²	37	15.9 Å²	15.9	31%	0.306	9%	0.092	S	C	.	.	H	α-helix	trans	-72.5	-35.2	172.8	0	0	0	0	0	112.1	L649 V714 Y715 V716 G722	L649-A718 HydrophobicContact CD1-CB 4.36Å; V714-A718 VanDerWaalsContact O-CB 3.29Å; V714-A718 WeakPolarHBondContact O-CB 3.44Å; V714-A718 PolarHBondContact O-N 3.28Å; Y715-A718 PolarHBondContact O-N 2.7Å; V716-A718 VanDerWaalsContact C-N 3.35Å; V716-A718 PolarHBondContact O-N 2.83Å; A718-G722 WeakPolarHBondContact O-CA 3.46Å; A718-G722 PolarHBondContact O-N 2.93Å
719	A	94.9	Very high	92.1	Very high	10 Å²	10	16.9 Å²	16.9	8%	0.083	10%	0.097	C	C	.	.	H	α-helix	trans	-69.6	-42.5	179.3	0	0	0	0	0	112.1	Y715 V716 S723 V775 I779 I845	Y715-A719 HydrophobicContact CE1-CB 4.43Å; Y715-A719 WeakPolarHBondContact O-CB 3.44Å; Y715-A719 PolarHBondContact O-N 2.99Å; V716-A719 WeakPolarHBondContact O-CB 3.19Å; V716-A719 PolarHBondContact O-N 3.12Å; V716-A719 VanDerWaalsContact O-N 3.14Å; A719-S723 WeakPolarHBondContact O-CB 3.43Å; A719-S723 PolarHBondContact O-N 2.89Å; A719-V775 HydrophobicContact CB-CG1 3.94Å; A719-I779 HydrophobicContact CB-CD1 3.65Å; A719-I845 HydrophobicContact CB-CG2 3.63Å
720	T	94.7	Very high	92.3	Very high	0 Å²	0	18.2 Å²	18.2	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-62.6	-53.9	176.2	51.2	0	0	0	0	110.8	S646 V716 G717 G722 S723 A724 V775 L776	S646-T720 VanDerWaalsContact CB-OG1 3.26Å; S646-T720 WeakPolarHBondContact CB-OG1 3.46Å; S646-T720 PolarHBondContact OG-OG1 3.24Å; V716-T720 HydrophobicContact CG1-CG2 4.5Å; V716-T720 WeakPolarHBondContact O-CG2 3.35Å; V716-T720 PolarHBondContact O-N 2.86Å; V716-T720 PolarHBondContact O-OG1 2.85Å; G717-T720 PolarHBondContact O-OG1 2.92Å; T720-G722 PolarHBondContact O-N 2.79Å; T720-S723 PolarHBondContact O-N 2.78Å; T720-S723 PolarHBondContact O-OG 3.29Å; T720-A724 PolarHBondContact O-N 3.3Å; T720-V775 HydrophobicContact CG2-CG1 4.29Å; T720-L776 HydrophobicContact CG2-CB 3.83Å; T720-L776 HydrophobicContact CG2-CD1 4.35Å
721	V	93.6	Very high	92.5	Very high	3 Å²	3	16.1 Å²	16.1	2%	0.018	9%	0.091	C	C	.	.	H	α-helix	trans	-62.1	-43.6	177.6	171.5	0	0	0	0	111.3	S646 L649 T650 M653 I655 V658 G717 S723 A724 I725	S646-V721 WeakPolarHBondContact O-CG2 3.29Å; L649-V721 HydrophobicContact CB-CG2 4.06Å; T650-V721 WeakPolarHBondContact OG1-CG2 3.46Å; M653-V721 HydrophobicContact SD-CG1 4.34Å; I655-V721 HydrophobicContact CD1-CG1 3.52Å; V658-V721 HydrophobicContact CG2-CG2 4.45Å; G717-V721 WeakPolarHBondContact O-CG2 3.45Å; G717-V721 PolarHBondContact O-N 3.11Å; V721-S723 VanDerWaalsContact C-N 3.27Å; V721-S723 PolarHBondContact O-N 2.78Å; V721-A724 PolarHBondContact O-N 3.32Å; V721-I725 HydrophobicContact CG1-CD1 3.68Å; V721-I725 HydrophobicContact CG1-CG1 4.26Å; V721-I725 WeakPolarHBondContact O-CG1 3.25Å; V721-I725 PolarHBondContact O-N 2.9Å
722	G	93.3	Very high	92.2	Very high	4 Å²	4	22.3 Å²	22.3	4%	0.041	11%	0.114	C	C	.	.	H	α-helix	trans	-60.4	-35.3	177.7	0	0	0	0	0	113	A718 T720 W726	A718-G722 WeakPolarHBondContact O-CA 3.46Å; A718-G722 PolarHBondContact O-N 2.93Å; T720-G722 PolarHBondContact O-N 2.79Å; G722-W726 WeakPolarHBondContact O-CB 3.31Å; G722-W726 PolarHBondContact O-N 3.4Å
723	S	93.8	Very high	91.9	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	15%	0.148	C	C	.	.	H	α-helix	trans	-69.2	-37.5	176.7	75.7	0	0	0	0	113.1	A719 T720 V721 W726 W727 A772	A719-S723 WeakPolarHBondContact O-CB 3.43Å; A719-S723 PolarHBondContact O-N 2.89Å; T720-S723 PolarHBondContact O-N 2.78Å; T720-S723 PolarHBondContact O-OG 3.29Å; V721-S723 VanDerWaalsContact C-N 3.27Å; V721-S723 PolarHBondContact O-N 2.78Å; S723-W726 PolarHBondContact O-N 3.07Å; S723-W727 PolarHBondContact O-N 3.34Å; S723-W727 VanDerWaalsContact O-N 3.07Å; S723-A772 WeakPolarHBondContact OG-CA 3.5Å; S723-A772 PolarHBondContact OG-N 3.13Å
724	A	92	Very high	91.6	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.008	16%	0.155	C	C	.	.	H	α-helix	trans	-70.2	-43.8	174.7	0	0	0	0	0	111.5	V658 T720 V721 W726 W727 Y728 P768	V658-A724 HydrophobicContact CB-CB 4.4Å; V658-A724 HydrophobicContact CG1-CB 3.71Å; V658-A724 HydrophobicContact CG2-CB 3.85Å; T720-A724 PolarHBondContact O-N 3.3Å; V721-A724 PolarHBondContact O-N 3.32Å; A724-W726 VanDerWaalsContact C-N 3.27Å; A724-W726 PolarHBondContact O-N 3.17Å; A724-W727 PolarHBondContact O-N 3.28Å; A724-W727 VanDerWaalsContact O-N 3.16Å; A724-Y728 VanDerWaalsContact O-CD2 3.26Å; A724-Y728 WeakPolarHBondContact O-CD2 3.07Å; A724-Y728 PolarHBondContact O-N 2.76Å; A724-P768 HydrophobicContact CB-CB 4.11Å
725	I	91.9	Very high	91.4	Very high	6 Å²	6	27.7 Å²	27.7	3%	0.031	15%	0.146	C	C	.	.	H	α-helix	trans	-60.6	-41	174.1	-66	172.5	0	0	0	110.4	M653 I655 V721 W727 Y728 M729 L905	M653-I725 HydrophobicContact CE-CD1 3.67Å; M653-I725 HydrophobicContact SD-CD1 4.32Å; I655-I725 HydrophobicContact CD1-CD1 4.22Å; I655-I725 HydrophobicContact CD1-CG1 4.13Å; V721-I725 HydrophobicContact CG1-CD1 3.68Å; V721-I725 HydrophobicContact CG1-CG1 4.26Å; V721-I725 WeakPolarHBondContact O-CG1 3.25Å; V721-I725 PolarHBondContact O-N 2.9Å; I725-W727 VanDerWaalsContact C-N 3.32Å; I725-W727 PolarHBondContact O-N 3.41Å; I725-Y728 PolarHBondContact O-N 3.11Å; I725-M729 HydrophobicContact CG2-CG 4.11Å; I725-M729 HydrophobicContact CG2-SD 3.52Å; I725-M729 VanDerWaalsContact CG2-SD 3.52Å; I725-M729 WeakPolarHBondContact O-CB 3.11Å; I725-M729 WeakPolarHBondContact O-CG 3.49Å; I725-M729 PolarHBondContact O-N 3.22Å; I725-L905 HydrophobicContact CB-CD1 4.39Å; I725-L905 HydrophobicContact CG2-CD1 3.68Å
726	W	93.4	Very high	91.1	Very high	14 Å²	14	30.9 Å²	30.9	5%	0.053	16%	0.163	C	C	.	.	H	α-helix	trans	-59.1	-43.3	175.6	173.6	77.7	0	0	0	111.9	G722 S723 A724 F730 Y731 M771 A841 L905	G722-W726 WeakPolarHBondContact O-CB 3.31Å; G722-W726 PolarHBondContact O-N 3.4Å; S723-W726 PolarHBondContact O-N 3.07Å; A724-W726 VanDerWaalsContact C-N 3.27Å; A724-W726 PolarHBondContact O-N 3.17Å; W726-F730 HydrophobicContact CG-CB 4.41Å; W726-F730 CarbonylContact O-C 3.26Å; W726-F730 WeakPolarHBondContact O-CA 3.31Å; W726-F730 WeakPolarHBondContact O-CB 3.37Å; W726-F730 PolarHBondContact O-N 3.37Å; W726-Y731 AromaticContact CH2-CD2 3.24Å; W726-Y731 HydrophobicContact CH2-CD2 3.24Å; W726-Y731 AromaticContact CH2-CE2 3.78Å; W726-Y731 HydrophobicContact CH2-CE2 3.78Å; W726-Y731 AromaticContact CH2-CG 3.95Å; W726-Y731 HydrophobicContact CH2-CG 3.95Å; W726-Y731 AromaticContact CZ2-CD2 3.64Å; W726-Y731 HydrophobicContact CZ2-CD2 3.64Å; W726-Y731 HydrophobicContact CZ2-CE2 4.39Å; W726-Y731 HydrophobicContact CZ2-CG 4.41Å; W726-Y731 AromaticContact CZ3-CD2 3.94Å; W726-Y731 HydrophobicContact CZ3-CD2 3.94Å; W726-Y731 HydrophobicContact CZ3-CG 4.21Å; W726-Y731 PolarHBondContact O-N 2.92Å; W726-M771 HydrophobicContact CE3-CE 3.86Å; W726-M771 HydrophobicContact CZ3-CE 3.62Å; W726-A841 HydrophobicContact CE3-CB 4.29Å; W726-A841 HydrophobicContact CH2-CB 3.54Å; W726-A841 HydrophobicContact CZ2-CB 3.98Å; W726-A841 HydrophobicContact CZ3-CB 3.73Å; W726-L905 HydrophobicContact CB-CD2 4.37Å
727	W	93.2	Very high	90.8	Very high	13 Å²	13	31.1 Å²	31.1	5%	0.049	16%	0.164	C	C	.	.	H	α-helix	trans	-62.3	-46.6	176.3	-169.1	94.7	0	0	0	112.1	S723 A724 I725 Y731 P735 D765 H767 P768 E838	S723-W727 PolarHBondContact O-N 3.34Å; S723-W727 VanDerWaalsContact O-N 3.07Å; A724-W727 PolarHBondContact O-N 3.28Å; A724-W727 VanDerWaalsContact O-N 3.16Å; I725-W727 VanDerWaalsContact C-N 3.32Å; I725-W727 PolarHBondContact O-N 3.41Å; W727-Y731 AromaticContact CD1-CD1 3.85Å; W727-Y731 AromaticContact NE1-CD1 3.81Å; W727-P735 HydrophobicContact CE3-CG 4.45Å; W727-P735 VanDerWaalsContact CZ3-CD 3.48Å; W727-P735 HydrophobicContact CZ3-CG 3.9Å; W727-D765 HydrophobicContact CH2-CB 3.89Å; W727-D765 HydrophobicContact CZ3-CB 4.39Å; W727-H767 HydrophobicContact CD2-CB 4.26Å; W727-H767 VanDerWaalsContact CE2-CB 3.45Å; W727-H767 HydrophobicContact CH2-CB 4.3Å; W727-H767 HydrophobicContact CZ2-CB 3.49Å; W727-H767 VanDerWaalsContact CZ2-CB 3.49Å; W727-H767 AromaticContact CZ2-CG 3.99Å; W727-P768 HydrophobicContact CD2-CG 3.98Å; W727-P768 HydrophobicContact CE3-CG 3.46Å; W727-P768 VanDerWaalsContact CE3-CG 3.46Å; W727-P768 HydrophobicContact CZ3-CG 3.75Å; W727-E838 PolarHBondContact NE1-OE1 3.3Å; W727-E838 VanDerWaalsContact NE1-OE1 3.08Å
728	Y	90.1	Very high	90.5	Very high	7 Å²	7	34.7 Å²	34.7	3%	0.027	19%	0.186	C	C	.	.	H	α-helix	trans	-65	-41.3	180	-78.5	-60.3	0	0	0	113.7	P656 A724 I725 P735 Q736 L737 V742 F763 P768	P656-Y728 HydrophobicContact CB-CE2 4.34Å; P656-Y728 HydrophobicContact CG-CE2 4.09Å; A724-Y728 VanDerWaalsContact O-CD2 3.26Å; A724-Y728 WeakPolarHBondContact O-CD2 3.07Å; A724-Y728 PolarHBondContact O-N 2.76Å; I725-Y728 PolarHBondContact O-N 3.11Å; Y728-P735 HydrophobicContact CD1-CG 4.11Å; Y728-Q736 WeakPolarHBondContact O-CA 3.44Å; Y728-Q736 PolarHBondContact O-N 3.01Å; Y728-Q736 VanDerWaalsContact O-N 3.15Å; Y728-L737 HydrophobicContact CD1-CD1 3.87Å; Y728-L737 PolarHBondContact O-N 2.82Å; Y728-V742 HydrophobicContact CD2-CG1 4.18Å; Y728-V742 HydrophobicContact CG-CG1 4.48Å; Y728-V742 HydrophobicContact CG-CG2 4.38Å; Y728-F763 HydrophobicContact CE1-CD1 4.18Å; Y728-P768 HydrophobicContact CD2-CG 4.42Å; Y728-P768 HydrophobicContact CE1-CG 3.92Å; Y728-P768 HydrophobicContact CE2-CB 3.84Å; Y728-P768 HydrophobicContact CE2-CG 3.78Å; Y728-P768 VanDerWaalsContact CZ-CG 3.5Å
729	M	90.5	Very high	90.2	Very high	27 Å²	27	36.9 Å²	36.9	13%	0.133	19%	0.187	C	C	.	.	H	α-helix	trans	-101.9	-31.5	-167.3	-62.4	-174	57.2	0	0	114.4	I725 L737 Y739 V742	I725-M729 HydrophobicContact CG2-CG 4.11Å; I725-M729 HydrophobicContact CG2-SD 3.52Å; I725-M729 VanDerWaalsContact CG2-SD 3.52Å; I725-M729 WeakPolarHBondContact O-CB 3.11Å; I725-M729 WeakPolarHBondContact O-CG 3.49Å; I725-M729 PolarHBondContact O-N 3.22Å; M729-L737 WeakPolarHBondContact CA-O 3.32Å; M729-L737 WeakPolarHBondContact CG-O 3.32Å; M729-Y739 HydrophobicContact SD-CD2 4.28Å; M729-V742 HydrophobicContact CG-CG2 4.07Å
730	F	89.7	Confident	89.7	Confident	38 Å²	38	40.4 Å²	40.4	17%	0.167	20%	0.199	C	C	.	.	H	α-helix	trans	-128.9	-10.2	-160.4	-66.6	-57.2	0	0	0	113.9	W726 Q901 L905	W726-F730 HydrophobicContact CG-CB 4.41Å; W726-F730 CarbonylContact O-C 3.26Å; W726-F730 WeakPolarHBondContact O-CA 3.31Å; W726-F730 WeakPolarHBondContact O-CB 3.37Å; W726-F730 PolarHBondContact O-N 3.37Å; F730-Q901 VanDerWaalsContact C-OE1 3.25Å; F730-Q901 HydrophobicContact CB-CB 3.97Å; F730-Q901 HydrophobicContact CD1-CB 3.64Å; F730-Q901 HydrophobicContact CD1-CG 3.99Å; F730-Q901 VanDerWaalsContact CD1-OE1 3.25Å; F730-Q901 HydrophobicContact CE1-CB 4.35Å; F730-Q901 HydrophobicContact CG-CB 3.9Å; F730-Q901 PolarHBondContact O-OE1 3.46Å; F730-L905 HydrophobicContact CD2-CD1 3.85Å; F730-L905 HydrophobicContact CE2-CB 4.25Å; F730-L905 HydrophobicContact CE2-CD1 3.47Å; F730-L905 VanDerWaalsContact CE2-CD1 3.47Å; F730-L905 HydrophobicContact CE2-CG 4.48Å
731	Y	90.7	Very high	89.3	Confident	19 Å²	19	41.5 Å²	41.5	8%	0.075	20%	0.204	C	C	.	.			trans	-77.5	131.7	177	-170.5	-129.7	0	0	0	110.6	W726 W727 D733 G734 S835 T837 E838	W726-Y731 AromaticContact CH2-CD2 3.24Å; W726-Y731 HydrophobicContact CH2-CD2 3.24Å; W726-Y731 AromaticContact CH2-CE2 3.78Å; W726-Y731 HydrophobicContact CH2-CE2 3.78Å; W726-Y731 AromaticContact CH2-CG 3.95Å; W726-Y731 HydrophobicContact CH2-CG 3.95Å; W726-Y731 AromaticContact CZ2-CD2 3.64Å; W726-Y731 HydrophobicContact CZ2-CD2 3.64Å; W726-Y731 HydrophobicContact CZ2-CE2 4.39Å; W726-Y731 HydrophobicContact CZ2-CG 4.41Å; W726-Y731 AromaticContact CZ3-CD2 3.94Å; W726-Y731 HydrophobicContact CZ3-CD2 3.94Å; W726-Y731 HydrophobicContact CZ3-CG 4.21Å; W726-Y731 PolarHBondContact O-N 2.92Å; W727-Y731 AromaticContact CD1-CD1 3.85Å; W727-Y731 AromaticContact NE1-CD1 3.81Å; Y731-D733 VanDerWaalsContact C-N 3.32Å; Y731-D733 HydrophobicContact CD1-CB 4.14Å; Y731-D733 HydrophobicContact CE1-CB 3.67Å; Y731-D733 PolarHBondContact O-N 2.79Å; Y731-D733 PolarHBondContact OH-OD2 3.33Å; Y731-G734 WeakPolarHBondContact O-CA 3.44Å; Y731-G734 PolarHBondContact O-N 2.98Å; Y731-S835 PolarHBondContact OH-OG 2.93Å; Y731-T837 PolarHBondContact OH-OG1 2.92Å; Y731-E838 HydrophobicContact CE1-CG 4Å; Y731-E838 HydrophobicContact CE2-CG 4.3Å
732	E	85.9	Confident	89	Confident	162 Å²	162	41.4 Å²	41.4	76%	0.757	20%	0.204	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.3	-41	-174	-69.8	-177.4	-179.6	0	0	111.9	G734 Q736	E732-G734 VanDerWaalsContact C-N 3.29Å; E732-Q736 PolarHBondContact O-NE2 2.83Å; E732-Q736 VanDerWaalsContact O-NE2 3.09Å
733	D	84.7	Confident	88.6	Confident	131 Å²	131	42.2 Å²	42.2	70%	0.701	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-86.7	0.8	176	-56.3	-44.6	0	0	0	112.8	Y731	Y731-D733 VanDerWaalsContact C-N 3.32Å; Y731-D733 HydrophobicContact CD1-CB 4.14Å; Y731-D733 HydrophobicContact CE1-CB 3.67Å; Y731-D733 PolarHBondContact O-N 2.79Å; Y731-D733 PolarHBondContact OH-OD2 3.33Å
734	G	84.8	Confident	88.1	Confident	14 Å²	14	45.1 Å²	45.1	14%	0.144	22%	0.221	C	C	.	.	S	Bend	trans	-86.5	178.1	175.2	0	0	0	0	0	112.6	Y731 E732 Q736	Y731-G734 WeakPolarHBondContact O-CA 3.44Å; Y731-G734 PolarHBondContact O-N 2.98Å; E732-G734 VanDerWaalsContact C-N 3.29Å; G734-Q736 PolarHBondContact O-N 3.44Å
735	P	87.1	Confident	87.7	Confident	41 Å²	41	48.2 Å²	48.2	27%	0.266	23%	0.233	S	C	.	.			trans	-73.9	-6	-175.9	28.6	-34.3	0	0	0	114.9	W727 Y728 L737 A762	W727-P735 HydrophobicContact CE3-CG 4.45Å; W727-P735 VanDerWaalsContact CZ3-CD 3.48Å; W727-P735 HydrophobicContact CZ3-CG 3.9Å; Y728-P735 HydrophobicContact CD1-CG 4.11Å; P735-L737 VanDerWaalsContact C-N 3.31Å; P735-L737 HydrophobicContact CB-CD1 4.31Å; P735-L737 HydrophobicContact CB-CD2 4.09Å; P735-L737 HydrophobicContact CB-CG 3.88Å; P735-L737 HydrophobicContact CG-CD1 3.99Å; P735-L737 HydrophobicContact CG-CG 3.9Å; P735-L737 PolarHBondContact O-N 2.88Å; P735-A762 HydrophobicContact CB-CB 4.23Å
736	Q	87.6	Confident	87	Confident	122 Å²	122	50.2 Å²	50.2	57%	0.57	24%	0.242	S	C	*	.			trans	49.9	45.9	177.7	-59.6	-175.4	15.6	0	0	114.2	Y728 E732 G734	Y728-Q736 WeakPolarHBondContact O-CA 3.44Å; Y728-Q736 PolarHBondContact O-N 3.01Å; Y728-Q736 VanDerWaalsContact O-N 3.15Å; E732-Q736 PolarHBondContact O-NE2 2.83Å; E732-Q736 VanDerWaalsContact O-NE2 3.09Å; G734-Q736 PolarHBondContact O-N 3.44Å
737	L	87.1	Confident	86.4	Confident	4 Å²	4	51.9 Å²	51.9	2%	0.021	25%	0.249	C	C	.	.			trans	-72.6	152.6	-176.9	-58.2	175.7	0	0	0	112.3	Y728 M729 P735 Q741 V742 I758 F763	Y728-L737 HydrophobicContact CD1-CD1 3.87Å; Y728-L737 PolarHBondContact O-N 2.82Å; M729-L737 WeakPolarHBondContact CA-O 3.32Å; M729-L737 WeakPolarHBondContact CG-O 3.32Å; P735-L737 VanDerWaalsContact C-N 3.31Å; P735-L737 HydrophobicContact CB-CD1 4.31Å; P735-L737 HydrophobicContact CB-CD2 4.09Å; P735-L737 HydrophobicContact CB-CG 3.88Å; P735-L737 HydrophobicContact CG-CD1 3.99Å; P735-L737 HydrophobicContact CG-CG 3.9Å; P735-L737 PolarHBondContact O-N 2.88Å; L737-Q741 HydrophobicContact CB-CB 4.4Å; L737-V742 HydrophobicContact CB-CG2 3.74Å; L737-V742 HydrophobicContact CD1-CG2 4.11Å; L737-I758 HydrophobicContact CD2-CB 4.31Å; L737-I758 HydrophobicContact CD2-CD1 3.42Å; L737-I758 VanDerWaalsContact CD2-CD1 3.42Å; L737-I758 HydrophobicContact CD2-CG1 3.7Å; L737-I758 HydrophobicContact CD2-CG2 3.64Å; L737-F763 HydrophobicContact CD1-CD1 4.34Å; L737-F763 HydrophobicContact CD1-CE1 3.47Å; L737-F763 VanDerWaalsContact CD1-CE1 3.47Å; L737-F763 HydrophobicContact CD1-CZ 3.65Å
738	T	88.2	Confident	85.7	Confident	75 Å²	75	51.6 Å²	51.6	46%	0.46	25%	0.248	S	C	.	.			trans	-78.2	155.1	168.7	60.3	0	0	0	0	111.3	Y740 Q741 V742	T738-Y740 PolarHBondContact O-N 3.39Å; T738-Q741 WeakPolarHBondContact O-CB 3.49Å; T738-Q741 PolarHBondContact O-N 2.84Å; T738-Q741 VanDerWaalsContact OG1-CG 3.27Å; T738-Q741 WeakPolarHBondContact OG1-CG 3.16Å; T738-Q741 PolarHBondContact OG1-OE1 2.73Å; T738-V742 PolarHBondContact O-N 3.32Å; T738-V742 VanDerWaalsContact O-N 3.1Å
739	Y	86.4	Confident	85	Confident	84 Å²	84	59.6 Å²	59.6	33%	0.329	29%	0.286	S	S	.	.	H	α-helix	trans	-55.1	-38	178.5	-178.8	-104	0	0	0	112.9	M653 M729 V742 T743 F908	M653-Y739 HydrophobicContact CE-CE2 3.65Å; M653-Y739 WeakPolarHBondContact CE-OH 3.46Å; M729-Y739 HydrophobicContact SD-CD2 4.28Å; Y739-V742 PolarHBondContact O-N 2.95Å; Y739-T743 HydrophobicContact CD1-CG2 4.26Å; Y739-T743 HydrophobicContact CD2-CG2 4.29Å; Y739-T743 HydrophobicContact CE1-CG2 3.78Å; Y739-T743 HydrophobicContact CE2-CG2 3.82Å; Y739-T743 HydrophobicContact CG-CG2 4.49Å; Y739-T743 WeakPolarHBondContact O-CG2 3.3Å; Y739-T743 PolarHBondContact O-N 3.2Å; Y739-T743 PolarHBondContact O-OG1 2.94Å; Y739-F908 HydrophobicContact CD1-CE1 4.3Å; Y739-F908 HydrophobicContact CD1-CZ 4.34Å; Y739-F908 AromaticContact CD2-CE1 3.8Å; Y739-F908 HydrophobicContact CD2-CE1 3.8Å; Y739-F908 HydrophobicContact CD2-CZ 4.46Å; Y739-F908 HydrophobicContact CE2-CE1 4.1Å; Y739-F908 AromaticContact CG-CE1 3.91Å; Y739-F908 HydrophobicContact CG-CE1 3.91Å; Y739-F908 HydrophobicContact CG-CZ 4.11Å
740	Y	85.5	Confident	84.4	Confident	84 Å²	84	62.4 Å²	62.4	33%	0.329	30%	0.301	S	S	.	.	H	α-helix	trans	-61.8	-44.5	176	-179.8	-89.3	0	0	0	111.6	T738 V742 T743 H744 K754	T738-Y740 PolarHBondContact O-N 3.39Å; Y740-V742 PolarHBondContact O-N 2.96Å; Y740-T743 PolarHBondContact O-N 2.79Å; Y740-T743 PolarHBondContact O-OG1 3.23Å; Y740-T743 VanDerWaalsContact O-OG1 3.11Å; Y740-H744 AromaticContact CD2-CE1 3.97Å; Y740-H744 AromaticContact CD2-ND1 3.84Å; Y740-H744 HydrophobicContact CE1-CB 4.31Å; Y740-H744 AromaticContact CE2-CE1 3.75Å; Y740-H744 AromaticContact CE2-ND1 3.79Å; Y740-H744 AromaticContact CE2-NE2 3.93Å; Y740-H744 AromaticContact CZ-CG 3.96Å; Y740-H744 WeakPolarHBondContact O-CB 3.45Å; Y740-H744 PolarHBondContact O-N 3.23Å; Y740-H744 PolarHBondContact O-ND1 3.35Å; Y740-K754 HydrophobicContact CE1-CB 4.47Å; Y740-K754 HydrophobicContact CE1-CD 3.59Å; Y740-K754 PolarHBondContact OH-NZ 3.06Å
741	Q	86.6	Confident	83.8	Confident	23 Å²	23	62.9 Å²	62.9	11%	0.107	30%	0.304	C	S	.	.	H	α-helix	trans	-64.2	-39.9	179.3	-72.7	165.2	-28.7	0	0	111.9	L737 T738 H744 W745 K754 F755 I758	L737-Q741 HydrophobicContact CB-CB 4.4Å; T738-Q741 WeakPolarHBondContact O-CB 3.49Å; T738-Q741 PolarHBondContact O-N 2.84Å; T738-Q741 VanDerWaalsContact OG1-CG 3.27Å; T738-Q741 WeakPolarHBondContact OG1-CG 3.16Å; T738-Q741 PolarHBondContact OG1-OE1 2.73Å; Q741-H744 CarbonylContact O-C 3.6Å; Q741-W745 WeakPolarHBondContact O-CA 3.48Å; Q741-W745 PolarHBondContact O-N 3.32Å; Q741-K754 PolarHBondContact NE2-O 2.98Å; Q741-F755 HydrophobicContact CB-CD1 4.06Å; Q741-F755 HydrophobicContact CB-CE1 3.59Å; Q741-F755 HydrophobicContact CB-CZ 4.36Å; Q741-F755 HydrophobicContact CG-CD1 3.84Å; Q741-F755 HydrophobicContact CG-CE1 3.72Å; Q741-F755 HydrophobicContact CG-CZ 4.36Å; Q741-F755 WeakPolarHBondContact O-CE1 3.16Å; Q741-I758 VanDerWaalsContact CD-CD1 3.44Å
742	V	86.5	Confident	83.1	Confident	1 Å²	1	66 Å²	66	1%	0.006	33%	0.326	C	S	.	.	H	α-helix	trans	-67.6	-43.6	178.3	-176.5	0	0	0	0	111.7	I655 Y728 M729 L737 T738 Y739 Y740 H744	I655-V742 HydrophobicContact CB-CG1 4.11Å; I655-V742 HydrophobicContact CG2-CG1 3.8Å; Y728-V742 HydrophobicContact CD2-CG1 4.18Å; Y728-V742 HydrophobicContact CG-CG1 4.48Å; Y728-V742 HydrophobicContact CG-CG2 4.38Å; M729-V742 HydrophobicContact CG-CG2 4.07Å; L737-V742 HydrophobicContact CB-CG2 3.74Å; L737-V742 HydrophobicContact CD1-CG2 4.11Å; T738-V742 PolarHBondContact O-N 3.32Å; T738-V742 VanDerWaalsContact O-N 3.1Å; Y739-V742 PolarHBondContact O-N 2.95Å; Y740-V742 PolarHBondContact O-N 2.96Å; V742-H744 VanDerWaalsContact C-N 3.34Å; V742-H744 PolarHBondContact O-N 2.86Å
743	T	84.7	Confident	82.6	Confident	21 Å²	21	66.7 Å²	66.7	13%	0.129	33%	0.329	C	S	.	.	H	α-helix	trans	-74.6	-21.9	-179.5	52.6	0	0	0	0	113.8	M653 G654 I655 Y739 Y740	M653-T743 WeakPolarHBondContact O-CB 3.41Å; M653-T743 VanDerWaalsContact O-CG2 3.24Å; M653-T743 WeakPolarHBondContact O-CG2 3.29Å; G654-T743 CarbonylContact O-C 3.54Å; I655-T743 HydrophobicContact CG2-CG2 3.98Å; Y739-T743 HydrophobicContact CD1-CG2 4.26Å; Y739-T743 HydrophobicContact CD2-CG2 4.29Å; Y739-T743 HydrophobicContact CE1-CG2 3.78Å; Y739-T743 HydrophobicContact CE2-CG2 3.82Å; Y739-T743 HydrophobicContact CG-CG2 4.49Å; Y739-T743 WeakPolarHBondContact O-CG2 3.3Å; Y739-T743 PolarHBondContact O-N 3.2Å; Y739-T743 PolarHBondContact O-OG1 2.94Å; Y740-T743 PolarHBondContact O-N 2.79Å; Y740-T743 PolarHBondContact O-OG1 3.23Å; Y740-T743 VanDerWaalsContact O-OG1 3.11Å
744	H	84.4	Confident	82.2	Confident	60 Å²	60	65.2 Å²	65.2	28%	0.278	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-111.8	27.3	179.2	-65.2	68.9	0	0	0	112.2	Y740 Q741 V742 M746 R747 F755	Y740-H744 AromaticContact CD2-CE1 3.97Å; Y740-H744 AromaticContact CD2-ND1 3.84Å; Y740-H744 HydrophobicContact CE1-CB 4.31Å; Y740-H744 AromaticContact CE2-CE1 3.75Å; Y740-H744 AromaticContact CE2-ND1 3.79Å; Y740-H744 AromaticContact CE2-NE2 3.93Å; Y740-H744 AromaticContact CZ-CG 3.96Å; Y740-H744 WeakPolarHBondContact O-CB 3.45Å; Y740-H744 PolarHBondContact O-N 3.23Å; Y740-H744 PolarHBondContact O-ND1 3.35Å; Q741-H744 CarbonylContact O-C 3.6Å; V742-H744 VanDerWaalsContact C-N 3.34Å; V742-H744 PolarHBondContact O-N 2.86Å; H744-M746 PolarHBondContact O-N 3.31Å; H744-M746 VanDerWaalsContact O-N 3.15Å; H744-R747 WeakPolarHBondContact O-CB 3.49Å; H744-R747 PolarHBondContact O-N 3.28Å; H744-F755 HydrophobicContact CB-CZ 4.5Å; H744-F755 WeakPolarHBondContact O-CZ 3.45Å
745	W	82.9	Confident	82	Confident	66 Å²	66	64.9 Å²	64.9	25%	0.25	31%	0.311	C	S	.	.	G	3₁₀ helix	trans	-54.9	-35.9	-173.8	70	-84.7	0	0	0	113.6	G654 P656 Q741 R747 C748 F763	G654-W745 PolarHBondContact O-NE1 2.76Å; P656-W745 HydrophobicContact CG-CB 4.2Å; P656-W745 HydrophobicContact CG-CD2 4.07Å; P656-W745 HydrophobicContact CG-CG 3.78Å; Q741-W745 WeakPolarHBondContact O-CA 3.48Å; Q741-W745 PolarHBondContact O-N 3.32Å; W745-R747 PolarHBondContact O-N 2.94Å; W745-R747 VanDerWaalsContact O-N 3.09Å; W745-C748 WeakPolarHBondContact O-CB 3.42Å; W745-C748 PolarHBondContact O-N 2.85Å; W745-F763 HydrophobicContact CB-CD1 3.62Å; W745-F763 HydrophobicContact CB-CD2 4.25Å; W745-F763 HydrophobicContact CB-CE1 3.56Å; W745-F763 HydrophobicContact CB-CE2 4.21Å; W745-F763 HydrophobicContact CB-CG 3.97Å; W745-F763 HydrophobicContact CB-CZ 3.87Å; W745-F763 HydrophobicContact CE3-CB 4.25Å; W745-F763 HydrophobicContact CG-CD1 4.49Å
746	M	78	Confident	81.3	Confident	48 Å²	48	69.3 Å²	69.3	24%	0.236	33%	0.328	C	S	.	.	G	3₁₀ helix	trans	-63.7	-15.3	176.9	-64.7	-163.5	-156.7	0	0	113.9	A152 Y163 H744	A152-M746 HydrophobicContact CB-CB 3.96Å; Y163-M746 HydrophobicContact CD1-CE 3.95Å; Y163-M746 HydrophobicContact CD2-CE 4.03Å; Y163-M746 HydrophobicContact CE1-CE 3.63Å; Y163-M746 HydrophobicContact CE2-CE 3.74Å; Y163-M746 HydrophobicContact CG-CE 4.13Å; H744-M746 PolarHBondContact O-N 3.31Å; H744-M746 VanDerWaalsContact O-N 3.15Å
747	R	78.9	Confident	80.8	Confident	50 Å²	50	70.8 Å²	70.8	19%	0.189	34%	0.34	C	S	.	.	G	3₁₀ helix	trans	-91.5	2.4	176.1	-58.3	-168.9	-176.5	-168.1	2.6	113	D150 A152 H744 W745 E749 I750 E751 F755	D150-R747 IonicContact OD1-NH2 3.57Å; D150-R747 IonicContact OD2-NH2 3.92Å; A152-R747 HydrophobicContact CB-CG 3.88Å; H744-R747 WeakPolarHBondContact O-CB 3.49Å; H744-R747 PolarHBondContact O-N 3.28Å; W745-R747 PolarHBondContact O-N 2.94Å; W745-R747 VanDerWaalsContact O-N 3.09Å; R747-E749 VanDerWaalsContact C-N 3.3Å; R747-E749 PolarHBondContact O-N 3.36Å; R747-I750 PolarHBondContact O-N 3.07Å; R747-E751 WeakPolarHBondContact CD-OE1 3.3Å; R747-E751 IonicContact CZ-OE1 3.97Å; R747-E751 IonicContact NH1-OE1 3.02Å; R747-E751 PolarHBondContact NH1-OE1 3.12Å; R747-E751 PolarHBondContact O-N 3.27Å; R747-F755 HydrophobicContact CB-CE2 4.47Å
748	C	79.1	Confident	80.2	Confident	6 Å²	6	72.4 Å²	72.4	4%	0.041	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	-44.2	-177.4	-168.8	0	0	0	0	112.4	W745 F755 C760 F763	W745-C748 WeakPolarHBondContact O-CB 3.42Å; W745-C748 PolarHBondContact O-N 2.85Å; C748-F755 HydrophobicContact CB-CD1 4.22Å; C748-F755 HydrophobicContact CB-CD2 4.43Å; C748-F755 HydrophobicContact CB-CE1 4.32Å; C748-F755 HydrophobicContact CB-CG 4.27Å; C748-F755 HydrophobicContact CB-CZ 4.49Å; C748-C760 VanDerWaalsContact C-SG 3.6Å; C748-C760 HydrophobicContact CB-CB 3.97Å; C748-C760 WeakPolarHBondContact CB-SG 3.42Å; C748-C760 VanDerWaalsContact SG-CA 3.51Å; C748-C760 WeakPolarHBondContact SG-CB 3.4Å; C748-C760 CovalentContact SG-SG 2.04Å; C748-C760 PolarHBondContact SG-SG 3.35Å; C748-F763 HydrophobicContact CB-CE2 4.24Å
749	E	75.8	Confident	79.9	Confident	176 Å²	176	74.2 Å²	74.2	82%	0.822	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.2	-22.1	176.8	-64.7	-171.5	159.6	0	0	114	R747	R747-E749 VanDerWaalsContact C-N 3.3Å; R747-E749 PolarHBondContact O-N 3.36Å
750	I	77.1	Confident	79.7	Confident	86 Å²	86	72.2 Å²	72.2	44%	0.441	35%	0.353	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.2	-37.7	-170.5	-52.8	175	0	0	0	111.6	P151 R747 P752	P151-I750 WeakPolarHBondContact O-CD1 3.46Å; R747-I750 PolarHBondContact O-N 3.07Å; I750-P752 VanDerWaalsContact O-CD 3.25Å; I750-P752 WeakPolarHBondContact O-CD 3.31Å
751	E	78	Confident	79.6	Confident	48 Å²	48	71.1 Å²	71.1	22%	0.224	36%	0.357	C	S	.	.			trans	-116.4	60.8	-179.3	-67.5	-177.5	-157.2	0	0	110.8	R747 E753 K754 F755	R747-E751 WeakPolarHBondContact CD-OE1 3.3Å; R747-E751 IonicContact CZ-OE1 3.97Å; R747-E751 IonicContact NH1-OE1 3.02Å; R747-E751 PolarHBondContact NH1-OE1 3.12Å; R747-E751 PolarHBondContact O-N 3.27Å; E751-E753 PolarHBondContact O-N 2.89Å; E751-K754 PolarHBondContact O-N 3.16Å; E751-K754 WeakPolarHBondContact OE2-CD 3.13Å; E751-K754 WeakPolarHBondContact OE2-CE 3.19Å; E751-K754 IonicContact OE2-NZ 2.78Å; E751-K754 PolarHBondContact OE2-NZ 3.33Å; E751-F755 WeakPolarHBondContact O-CD2 3.42Å
752	P	75.2	Confident	79.4	Confident	83 Å²	83	71 Å²	71	54%	0.539	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-59.1	-25.8	-173.6	23.9	-34.1	0	0	0	113.2	I750 K754 F755 H756	I750-P752 VanDerWaalsContact O-CD 3.25Å; I750-P752 WeakPolarHBondContact O-CD 3.31Å; P752-K754 PolarHBondContact O-N 2.89Å; P752-F755 CarbonylContact O-C 3.53Å; P752-F755 PolarHBondContact O-N 3.48Å; P752-F755 VanDerWaalsContact O-N 3.16Å; P752-H756 PolarHBondContact O-N 3.33Å
753	E	77.1	Confident	79.3	Confident	177 Å²	177	71.8 Å²	71.8	83%	0.827	36%	0.364	S	S	*	.	G	3₁₀ helix	trans	-60.7	-30.8	176.5	-60.4	-169.6	179.8	0	0	113.4	E751	E751-E753 PolarHBondContact O-N 2.89Å
754	K	75.6	Confident	79.2	Confident	101 Å²	101	78.8 Å²	78.8	44%	0.439	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-89.7	-7.7	179	-66.6	-168.7	-169.9	151.5	0	113.9	Y740 Q741 E751 P752	Y740-K754 HydrophobicContact CE1-CB 4.47Å; Y740-K754 HydrophobicContact CE1-CD 3.59Å; Y740-K754 PolarHBondContact OH-NZ 3.06Å; Q741-K754 PolarHBondContact NE2-O 2.98Å; E751-K754 PolarHBondContact O-N 3.16Å; E751-K754 WeakPolarHBondContact OE2-CD 3.13Å; E751-K754 WeakPolarHBondContact OE2-CE 3.19Å; E751-K754 IonicContact OE2-NZ 2.78Å; E751-K754 PolarHBondContact OE2-NZ 3.33Å; P752-K754 PolarHBondContact O-N 2.89Å
755	F	81.3	Confident	79.4	Confident	7 Å²	7	78.1 Å²	78.1	3%	0.031	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-116.9	29	178.4	-66.2	-92.7	0	0	0	111.2	Q741 H744 R747 C748 E751 P752 D757 I758 F763	Q741-F755 HydrophobicContact CB-CD1 4.06Å; Q741-F755 HydrophobicContact CB-CE1 3.59Å; Q741-F755 HydrophobicContact CB-CZ 4.36Å; Q741-F755 HydrophobicContact CG-CD1 3.84Å; Q741-F755 HydrophobicContact CG-CE1 3.72Å; Q741-F755 HydrophobicContact CG-CZ 4.36Å; Q741-F755 WeakPolarHBondContact O-CE1 3.16Å; H744-F755 HydrophobicContact CB-CZ 4.5Å; H744-F755 WeakPolarHBondContact O-CZ 3.45Å; R747-F755 HydrophobicContact CB-CE2 4.47Å; C748-F755 HydrophobicContact CB-CD1 4.22Å; C748-F755 HydrophobicContact CB-CD2 4.43Å; C748-F755 HydrophobicContact CB-CE1 4.32Å; C748-F755 HydrophobicContact CB-CG 4.27Å; C748-F755 HydrophobicContact CB-CZ 4.49Å; E751-F755 WeakPolarHBondContact O-CD2 3.42Å; P752-F755 CarbonylContact O-C 3.53Å; P752-F755 PolarHBondContact O-N 3.48Å; P752-F755 VanDerWaalsContact O-N 3.16Å; F755-D757 PolarHBondContact O-N 3.19Å; F755-I758 PolarHBondContact O-N 2.87Å; F755-F763 HydrophobicContact CD1-CE2 4.33Å; F755-F763 HydrophobicContact CD1-CZ 4.47Å; F755-F763 HydrophobicContact CE1-CE2 4.17Å; F755-F763 HydrophobicContact CE1-CZ 4.04Å
756	H	71.4	Confident	79.8	Confident	134 Å²	134	76.3 Å²	76.3	62%	0.62	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	135.2	178.9	-149.5	-71.9	0	0	0	110.5	P752 I758	P752-H756 PolarHBondContact O-N 3.33Å; H756-I758 VanDerWaalsContact C-N 3.3Å; H756-I758 PolarHBondContact O-N 3.4Å
757	D	76.8	Confident	80.4	Confident	152 Å²	152	75.6 Å²	75.6	81%	0.813	39%	0.386	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.1	13.4	-178.2	-49.4	-36	0	0	0	116.5	F755	F755-D757 PolarHBondContact O-N 3.19Å
758	I	75	Confident	81.1	Confident	39 Å²	39	73.3 Å²	73.3	20%	0.2	38%	0.377	C	S	.	.			trans	-119.9	126.5	176.7	-64.5	150.1	0	0	0	109.5	L737 Q741 F755 H756	L737-I758 HydrophobicContact CD2-CB 4.31Å; L737-I758 HydrophobicContact CD2-CD1 3.42Å; L737-I758 VanDerWaalsContact CD2-CD1 3.42Å; L737-I758 HydrophobicContact CD2-CG1 3.7Å; L737-I758 HydrophobicContact CD2-CG2 3.64Å; Q741-I758 VanDerWaalsContact CD-CD1 3.44Å; F755-I758 PolarHBondContact O-N 2.87Å; H756-I758 VanDerWaalsContact C-N 3.3Å; H756-I758 PolarHBondContact O-N 3.4Å
759	D	81.6	Confident	81.8	Confident	113 Å²	113	73.7 Å²	73.7	60%	0.604	38%	0.379	S	S	*	.			trans	-77.4	126.8	169.9	-171.1	4.5	0	0	0	109.6	S761 A762	D759-S761 PolarHBondContact O-N 2.69Å; D759-S761 VanDerWaalsContact O-N 3.08Å; D759-S761 PolarHBondContact OD1-N 3.23Å; D759-S761 PolarHBondContact OD2-OG 2.86Å; D759-A762 VanDerWaalsContact O-CB 3.27Å; D759-A762 WeakPolarHBondContact O-CB 3.25Å; D759-A762 PolarHBondContact O-N 3.22Å
760	C	82.1	Confident	82.7	Confident	41 Å²	41	65.3 Å²	65.3	28%	0.277	34%	0.34	S	S	.	.	G	3₁₀ helix	trans	-62.1	-18.7	-179.1	-60.7	0	0	0	0	112.3	C748 A762 F763	C748-C760 VanDerWaalsContact C-SG 3.6Å; C748-C760 HydrophobicContact CB-CB 3.97Å; C748-C760 WeakPolarHBondContact CB-SG 3.42Å; C748-C760 VanDerWaalsContact SG-CA 3.51Å; C748-C760 WeakPolarHBondContact SG-CB 3.4Å; C748-C760 CovalentContact SG-SG 2.04Å; C748-C760 PolarHBondContact SG-SG 3.35Å; C760-A762 PolarHBondContact O-N 2.96Å; C760-F763 PolarHBondContact O-N 3.49Å
761	S	82.9	Confident	83.5	Confident	61 Å²	61	61.2 Å²	61.2	43%	0.427	32%	0.319	S	S	.	.	G	3₁₀ helix	trans	-58.4	-22.2	171.3	69.8	0	0	0	0	113.4	D759 F763 E764	D759-S761 PolarHBondContact O-N 2.69Å; D759-S761 VanDerWaalsContact O-N 3.08Å; D759-S761 PolarHBondContact OD1-N 3.23Å; D759-S761 PolarHBondContact OD2-OG 2.86Å; S761-F763 PolarHBondContact O-N 3.42Å; S761-E764 WeakPolarHBondContact O-CB 3.48Å; S761-E764 PolarHBondContact O-N 2.78Å
762	A	83.2	Confident	84.3	Confident	21 Å²	21	59 Å²	59	17%	0.174	31%	0.308	C	S	.	.	G	3₁₀ helix	trans	-61.5	-24.9	176.7	0	0	0	0	0	113.4	P735 D759 C760 E764	P735-A762 HydrophobicContact CB-CB 4.23Å; D759-A762 VanDerWaalsContact O-CB 3.27Å; D759-A762 WeakPolarHBondContact O-CB 3.25Å; D759-A762 PolarHBondContact O-N 3.22Å; C760-A762 PolarHBondContact O-N 2.96Å; A762-E764 VanDerWaalsContact C-N 3.33Å
763	F	84.8	Confident	85.3	Confident	18 Å²	18	55.1 Å²	55.1	8%	0.079	28%	0.283	C	S	.	.	G	3₁₀ helix	trans	-81.1	-13	175.5	-62.6	-70.4	0	0	0	113.3	P656 Y728 L737 W745 C748 F755 C760 S761	P656-F763 HydrophobicContact CG-CD1 3.89Å; Y728-F763 HydrophobicContact CE1-CD1 4.18Å; L737-F763 HydrophobicContact CD1-CD1 4.34Å; L737-F763 HydrophobicContact CD1-CE1 3.47Å; L737-F763 VanDerWaalsContact CD1-CE1 3.47Å; L737-F763 HydrophobicContact CD1-CZ 3.65Å; W745-F763 HydrophobicContact CB-CD1 3.62Å; W745-F763 HydrophobicContact CB-CD2 4.25Å; W745-F763 HydrophobicContact CB-CE1 3.56Å; W745-F763 HydrophobicContact CB-CE2 4.21Å; W745-F763 HydrophobicContact CB-CG 3.97Å; W745-F763 HydrophobicContact CB-CZ 3.87Å; W745-F763 HydrophobicContact CE3-CB 4.25Å; W745-F763 HydrophobicContact CG-CD1 4.49Å; C748-F763 HydrophobicContact CB-CE2 4.24Å; F755-F763 HydrophobicContact CD1-CE2 4.33Å; F755-F763 HydrophobicContact CD1-CZ 4.47Å; F755-F763 HydrophobicContact CE1-CE2 4.17Å; F755-F763 HydrophobicContact CE1-CZ 4.04Å; C760-F763 PolarHBondContact O-N 3.49Å; S761-F763 PolarHBondContact O-N 3.42Å
764	E	81.3	Confident	86.2	Confident	167 Å²	167	46.7 Å²	46.7	78%	0.78	24%	0.244	S	C	*	.	G	3₁₀ helix	trans	-91.1	-3.5	173.6	-58.5	-172.1	162.6	0	0	112.5	S761 A762	S761-E764 WeakPolarHBondContact O-CB 3.48Å; S761-E764 PolarHBondContact O-N 2.78Å; A762-E764 VanDerWaalsContact C-N 3.33Å
765	D	88.5	Confident	87.2	Confident	46 Å²	46	41.9 Å²	41.9	25%	0.246	22%	0.223	C	C	.	.			trans	-63	140.2	174.4	-158.4	-39.9	0	0	0	110.5	W727 H767 P768	W727-D765 HydrophobicContact CH2-CB 3.89Å; W727-D765 HydrophobicContact CZ3-CB 4.39Å; D765-H767 IonicContact OD1-CG 2.64Å; D765-H767 PolarHBondContact OD1-N 2.62Å; D765-H767 IonicContact OD1-ND1 3.69Å; D765-H767 PolarHBondContact OD1-ND1 3.44Å; D765-H767 IonicContact OD2-ND1 3.41Å; D765-P768 WeakPolarHBondContact O-CD 3.08Å
766	T	91.3	Very high	87.9	Confident	29 Å²	29	41.6 Å²	41.6	18%	0.178	22%	0.222	C	C	.	.	S	Bend	trans	-101	-1.4	-176.1	47	0	0	0	0	112.9	N769 A770 Q830 Q832	T766-N769 WeakPolarHBondContact O-CB 3.43Å; T766-N769 PolarHBondContact O-N 2.82Å; T766-A770 PolarHBondContact O-N 2.66Å; T766-Q830 VanDerWaalsContact CB-O 3.29Å; T766-Q830 WeakPolarHBondContact CB-O 3.37Å; T766-Q830 HydrophobicContact CG2-CB 4.01Å; T766-Q830 WeakPolarHBondContact CG2-O 3.46Å; T766-Q832 WeakPolarHBondContact OG1-CG 3.22Å; T766-Q832 PolarHBondContact OG1-NE2 2.91Å
767	H	91.7	Very high	89.1	Confident	33 Å²	33	35.2 Å²	35.2	15%	0.153	19%	0.192	C	C	.	.	H	α-helix	trans	-58.3	-43.2	170	-79.2	88.9	0	0	0	113.6	W727 D765 N769 A770 M771 Q832 E838	W727-H767 HydrophobicContact CD2-CB 4.26Å; W727-H767 VanDerWaalsContact CE2-CB 3.45Å; W727-H767 HydrophobicContact CH2-CB 4.3Å; W727-H767 HydrophobicContact CZ2-CB 3.49Å; W727-H767 VanDerWaalsContact CZ2-CB 3.49Å; W727-H767 AromaticContact CZ2-CG 3.99Å; D765-H767 IonicContact OD1-CG 2.64Å; D765-H767 PolarHBondContact OD1-N 2.62Å; D765-H767 IonicContact OD1-ND1 3.69Å; D765-H767 PolarHBondContact OD1-ND1 3.44Å; D765-H767 IonicContact OD2-ND1 3.41Å; H767-N769 VanDerWaalsContact C-N 3.28Å; H767-N769 PolarHBondContact O-N 3.47Å; H767-A770 CarbonylContact O-C 3.56Å; H767-A770 WeakPolarHBondContact O-CB 3.4Å; H767-A770 PolarHBondContact O-N 3.42Å; H767-A770 VanDerWaalsContact O-N 3.12Å; H767-M771 WeakPolarHBondContact O-CB 3.47Å; H767-M771 WeakPolarHBondContact O-CG 3.44Å; H767-M771 PolarHBondContact O-N 3.4Å; H767-Q832 PolarHBondContact CE1-OE1 3.19Å; H767-Q832 PolarHBondContact ND1-OE1 2.85Å; H767-E838 IonicContact CD2-OE1 3.52Å; H767-E838 PolarHBondContact CD2-OE1 3.03Å
768	P	92.7	Very high	90	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.006	16%	0.156	C	C	.	.	H	α-helix	trans	-55.9	-42.5	174	-25	32.9	0	0	0	112.7	A724 W727 Y728 D765 M771 A772	A724-P768 HydrophobicContact CB-CB 4.11Å; W727-P768 HydrophobicContact CD2-CG 3.98Å; W727-P768 HydrophobicContact CE3-CG 3.46Å; W727-P768 VanDerWaalsContact CE3-CG 3.46Å; W727-P768 HydrophobicContact CZ3-CG 3.75Å; Y728-P768 HydrophobicContact CD2-CG 4.42Å; Y728-P768 HydrophobicContact CE1-CG 3.92Å; Y728-P768 HydrophobicContact CE2-CB 3.84Å; Y728-P768 HydrophobicContact CE2-CG 3.78Å; Y728-P768 VanDerWaalsContact CZ-CG 3.5Å; D765-P768 WeakPolarHBondContact O-CD 3.08Å; P768-M771 PolarHBondContact O-N 2.61Å; P768-A772 WeakPolarHBondContact O-CB 3.37Å; P768-A772 PolarHBondContact O-N 2.92Å
769	N	93.5	Very high	91	Very high	15 Å²	15	26.5 Å²	26.5	8%	0.08	15%	0.146	C	C	.	.	H	α-helix	trans	-65.2	-42.6	175.8	-60.1	81.1	0	0	0	111.5	E657 V658 T766 H767 A772 L773 I831	E657-N769 PolarHBondContact O-ND2 3.16Å; V658-N769 WeakPolarHBondContact O-CA 3.4Å; V658-N769 PolarHBondContact O-ND2 3.43Å; T766-N769 WeakPolarHBondContact O-CB 3.43Å; T766-N769 PolarHBondContact O-N 2.82Å; H767-N769 VanDerWaalsContact C-N 3.28Å; H767-N769 PolarHBondContact O-N 3.47Å; N769-A772 PolarHBondContact O-N 3.1Å; N769-L773 WeakPolarHBondContact O-CB 3.27Å; N769-L773 PolarHBondContact O-N 3.44Å; N769-I831 HydrophobicContact CB-CG2 4.47Å
770	A	94.9	Very high	91.6	Very high	0 Å²	0	21.1 Å²	21.1	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-63.8	-39.7	176.2	0	0	0	0	0	112.4	T766 H767 S774 L820 I831 Q832 L834	T766-A770 PolarHBondContact O-N 2.66Å; H767-A770 CarbonylContact O-C 3.56Å; H767-A770 WeakPolarHBondContact O-CB 3.4Å; H767-A770 PolarHBondContact O-N 3.42Å; H767-A770 VanDerWaalsContact O-N 3.12Å; A770-S774 WeakPolarHBondContact O-CB 3.35Å; A770-S774 PolarHBondContact O-N 2.97Å; A770-S774 PolarHBondContact O-OG 3.07Å; A770-L820 HydrophobicContact CB-CD2 4.06Å; A770-I831 HydrophobicContact CB-CB 3.98Å; A770-I831 HydrophobicContact CB-CG2 4.13Å; A770-Q832 VanDerWaalsContact CB-O 3.28Å; A770-Q832 WeakPolarHBondContact CB-O 3.5Å; A770-L834 HydrophobicContact CB-CD2 3.93Å; A770-L834 HydrophobicContact CB-CG 4.32Å
771	M	94.9	Very high	92.2	Very high	0 Å²	0	19.5 Å²	19.5	0%	0	11%	0.106	C	C	.	.	H	α-helix	trans	-62.4	-51.9	175.5	-80.1	-64	-64.1	0	0	111.1	W726 H767 P768 S774 V775 L834 E838 A841 V842	W726-M771 HydrophobicContact CE3-CE 3.86Å; W726-M771 HydrophobicContact CZ3-CE 3.62Å; H767-M771 WeakPolarHBondContact O-CB 3.47Å; H767-M771 WeakPolarHBondContact O-CG 3.44Å; H767-M771 PolarHBondContact O-N 3.4Å; P768-M771 PolarHBondContact O-N 2.61Å; M771-S774 PolarHBondContact O-N 2.83Å; M771-V775 WeakPolarHBondContact O-CG2 3.28Å; M771-V775 PolarHBondContact O-N 3.38Å; M771-L834 HydrophobicContact CG-CD2 3.88Å; M771-L834 HydrophobicContact SD-CD1 4.04Å; M771-L834 HydrophobicContact SD-CD2 3.72Å; M771-E838 HydrophobicContact SD-CB 3.6Å; M771-E838 VanDerWaalsContact SD-CB 3.6Å; M771-E838 HydrophobicContact SD-CG 3.92Å; M771-A841 HydrophobicContact CE-CB 4.24Å; M771-V842 HydrophobicContact CE-CG2 3.78Å; M771-V842 HydrophobicContact SD-CG2 3.88Å
772	A	95.2	Very high	92.8	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.093	C	C	.	.	H	α-helix	trans	-66.4	-41.5	-179.1	0	0	0	0	0	112.8	V658 L659 S723 P768 N769 S774 V775 L776	V658-A772 HydrophobicContact CG1-CB 3.06Å; L659-A772 HydrophobicContact CD2-CB 4.28Å; L659-A772 HydrophobicContact CG-CB 4.49Å; S723-A772 WeakPolarHBondContact OG-CA 3.5Å; S723-A772 PolarHBondContact OG-N 3.13Å; P768-A772 WeakPolarHBondContact O-CB 3.37Å; P768-A772 PolarHBondContact O-N 2.92Å; N769-A772 PolarHBondContact O-N 3.1Å; A772-S774 VanDerWaalsContact C-N 3.32Å; A772-S774 PolarHBondContact O-N 2.93Å; A772-V775 PolarHBondContact O-N 2.92Å; A772-L776 WeakPolarHBondContact O-CB 3.39Å; A772-L776 PolarHBondContact O-N 2.83Å
773	L	95.9	Very high	93.2	Very high	2 Å²	2	17 Å²	17	1%	0.01	9%	0.085	C	C	.	.	H	α-helix	trans	-61.4	-43.2	173.9	-176.6	63.2	0	0	0	110.9	L659 Q663 V667 N769 V775 L776 V777 I819 I831	L659-L773 HydrophobicContact CD2-CB 4.07Å; L659-L773 HydrophobicContact CD2-CD1 4.28Å; Q663-L773 HydrophobicContact CB-CD1 4.08Å; Q663-L773 HydrophobicContact CB-CD2 4.43Å; Q663-L773 HydrophobicContact CG-CD2 4.17Å; V667-L773 HydrophobicContact CG2-CD1 3.58Å; N769-L773 WeakPolarHBondContact O-CB 3.27Å; N769-L773 PolarHBondContact O-N 3.44Å; L773-V775 PolarHBondContact O-N 3.19Å; L773-L776 WeakPolarHBondContact O-CB 3.48Å; L773-L776 PolarHBondContact O-N 2.85Å; L773-V777 HydrophobicContact CD1-CG2 4.37Å; L773-V777 HydrophobicContact CG-CG2 4.49Å; L773-V777 VanDerWaalsContact O-CG2 3.32Å; L773-V777 WeakPolarHBondContact O-CG2 3.11Å; L773-V777 PolarHBondContact O-N 2.92Å; L773-I819 HydrophobicContact CD2-CD1 4.12Å; L773-I831 HydrophobicContact CD2-CD1 4.09Å; L773-I831 HydrophobicContact CD2-CG2 4.07Å
774	S	96.4	Very high	93.6	Very high	0 Å²	0	16.1 Å²	16.1	0%	0	8%	0.081	C	C	.	.	H	α-helix	trans	-68	-34.5	179.3	-59.6	0	0	0	0	112.6	A770 M771 A772 T778 H816 L834	A770-S774 WeakPolarHBondContact O-CB 3.35Å; A770-S774 PolarHBondContact O-N 2.97Å; A770-S774 PolarHBondContact O-OG 3.07Å; M771-S774 PolarHBondContact O-N 2.83Å; A772-S774 VanDerWaalsContact C-N 3.32Å; A772-S774 PolarHBondContact O-N 2.93Å; S774-T778 VanDerWaalsContact O-CB 3.25Å; S774-T778 WeakPolarHBondContact O-CB 3.15Å; S774-T778 PolarHBondContact O-N 2.94Å; S774-T778 PolarHBondContact O-OG1 2.8Å; S774-H816 PolarHBondContact OG-NE2 3.49Å; S774-L834 WeakPolarHBondContact OG-CD1 3.42Å
775	V	96.4	Very high	94.1	Very high	0 Å²	0	9.6 Å²	9.6	0%	0	5%	0.051	C	C	.	.	H	α-helix	trans	-64.5	-47.1	170.5	168.1	0	0	0	0	110.9	A719 T720 M771 A772 L773 T778 I779 V842 I845	A719-V775 HydrophobicContact CB-CG1 3.94Å; T720-V775 HydrophobicContact CG2-CG1 4.29Å; M771-V775 WeakPolarHBondContact O-CG2 3.28Å; M771-V775 PolarHBondContact O-N 3.38Å; A772-V775 PolarHBondContact O-N 2.92Å; L773-V775 PolarHBondContact O-N 3.19Å; V775-T778 PolarHBondContact O-N 2.74Å; V775-I779 HydrophobicContact CG1-CD1 3.59Å; V775-I779 HydrophobicContact CG1-CG1 4.26Å; V775-I779 WeakPolarHBondContact O-CB 3.37Å; V775-I779 VanDerWaalsContact O-CG1 3.29Å; V775-I779 WeakPolarHBondContact O-CG1 3.48Å; V775-I779 PolarHBondContact O-N 2.98Å; V775-V842 HydrophobicContact CG2-CB 4.25Å; V775-V842 HydrophobicContact CG2-CG1 4.04Å; V775-V842 HydrophobicContact CG2-CG2 4.08Å; V775-I845 HydrophobicContact CG1-CG2 3.74Å; V775-I845 HydrophobicContact CG2-CG2 4.11Å
776	L	95.7	Very high	94.1	Very high	1 Å²	1	7.4 Å²	7.4	1%	0.005	4%	0.039	C	C	.	.	H	α-helix	trans	-56.4	-55.2	177.2	-179.3	61.8	0	0	0	110.7	E643 L659 L664 V667 V716 T720 A772 L773 T778 I779 E780	E643-L776 HydrophobicContact CG-CD1 4.27Å; E643-L776 HydrophobicContact CG-CD2 4.13Å; L659-L776 HydrophobicContact CD1-CD2 3.99Å; L664-L776 HydrophobicContact CD2-CD2 4.22Å; V667-L776 HydrophobicContact CG1-CD2 4.16Å; V667-L776 HydrophobicContact CG1-CG 4.44Å; V667-L776 HydrophobicContact CG2-CD2 4.25Å; V716-L776 HydrophobicContact CG1-CD1 3.55Å; T720-L776 HydrophobicContact CG2-CB 3.83Å; T720-L776 HydrophobicContact CG2-CD1 4.35Å; A772-L776 WeakPolarHBondContact O-CB 3.39Å; A772-L776 PolarHBondContact O-N 2.83Å; L773-L776 WeakPolarHBondContact O-CB 3.48Å; L773-L776 PolarHBondContact O-N 2.85Å; L776-T778 VanDerWaalsContact C-N 3.33Å; L776-T778 PolarHBondContact O-N 3.26Å; L776-I779 PolarHBondContact O-N 2.99Å; L776-E780 HydrophobicContact CD1-CG 4.25Å; L776-E780 WeakPolarHBondContact O-CG 3.24Å; L776-E780 PolarHBondContact O-N 3.19Å
777	V	96.3	Very high	94	Very high	0 Å²	0	6.3 Å²	6.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-58.4	-44.3	179.9	171.9	0	0	0	0	111.6	V667 T671 L773 E780 M781 M813 H816	V667-V777 HydrophobicContact CG2-CG2 4.21Å; T671-V777 HydrophobicContact CG2-CB 4.31Å; T671-V777 HydrophobicContact CG2-CG1 3.72Å; T671-V777 HydrophobicContact CG2-CG2 3.94Å; L773-V777 HydrophobicContact CD1-CG2 4.37Å; L773-V777 HydrophobicContact CG-CG2 4.49Å; L773-V777 VanDerWaalsContact O-CG2 3.32Å; L773-V777 WeakPolarHBondContact O-CG2 3.11Å; L773-V777 PolarHBondContact O-N 2.92Å; V777-E780 PolarHBondContact O-N 3.18Å; V777-M781 WeakPolarHBondContact O-CG 3.4Å; V777-M781 PolarHBondContact O-N 3.45Å; V777-M813 HydrophobicContact CG1-SD 3.94Å; V777-H816 HydrophobicContact CG1-CB 4.1Å
778	T	96.3	Very high	93.8	Very high	9 Å²	9	5 Å²	5	6%	0.055	3%	0.027	C	C	.	.	H	α-helix	trans	-66.8	-42.6	-179.1	-55.3	0	0	0	0	111.4	S774 V775 L776 M781 L782 V842 L843 S846	S774-T778 VanDerWaalsContact O-CB 3.25Å; S774-T778 WeakPolarHBondContact O-CB 3.15Å; S774-T778 PolarHBondContact O-N 2.94Å; S774-T778 PolarHBondContact O-OG1 2.8Å; V775-T778 PolarHBondContact O-N 2.74Å; L776-T778 VanDerWaalsContact C-N 3.33Å; L776-T778 PolarHBondContact O-N 3.26Å; T778-M781 PolarHBondContact O-N 3.12Å; T778-L782 HydrophobicContact CG2-CD1 4.4Å; T778-L782 VanDerWaalsContact O-CG 3.29Å; T778-L782 WeakPolarHBondContact O-CG 3.44Å; T778-L782 PolarHBondContact O-N 2.89Å; T778-V842 WeakPolarHBondContact OG1-CG1 3.39Å; T778-L843 HydrophobicContact CG2-CD2 4.16Å; T778-S846 VanDerWaalsContact CG2-CB 3.47Å
779	I	95.6	Very high	93.3	Very high	0 Å²	0	5.5 Å²	5.5	0%	0	3%	0.03	C	C	.	.	H	α-helix	trans	-61.7	-45.1	175.8	-71.6	175	0	0	0	110.3	Y715 V716 A719 V775 L776 M781 L782 N783 V849	Y715-I779 HydrophobicContact CD1-CD1 4.42Å; Y715-I779 HydrophobicContact CE1-CD1 4.04Å; V716-I779 HydrophobicContact CB-CG2 4.47Å; V716-I779 HydrophobicContact CG2-CG2 3.53Å; A719-I779 HydrophobicContact CB-CD1 3.65Å; V775-I779 HydrophobicContact CG1-CD1 3.59Å; V775-I779 HydrophobicContact CG1-CG1 4.26Å; V775-I779 WeakPolarHBondContact O-CB 3.37Å; V775-I779 VanDerWaalsContact O-CG1 3.29Å; V775-I779 WeakPolarHBondContact O-CG1 3.48Å; V775-I779 PolarHBondContact O-N 2.98Å; L776-I779 PolarHBondContact O-N 2.99Å; I779-M781 PolarHBondContact O-N 2.86Å; I779-L782 CarbonylContact O-C 3.55Å; I779-L782 PolarHBondContact O-N 3.22Å; I779-L782 VanDerWaalsContact O-N 3.14Å; I779-N783 WeakPolarHBondContact O-CB 3.36Å; I779-N783 PolarHBondContact O-N 3.12Å; I779-V849 HydrophobicContact CG2-CB 4.21Å; I779-V849 HydrophobicContact CG2-CG1 4.22Å; I779-V849 HydrophobicContact CG2-CG2 3.98Å
780	E	94.5	Very high	92.7	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	4%	0.038	C	C	.	.	H	α-helix	trans	-66.3	-35.6	-178.4	-69.3	-49	137.4	0	0	112.9	Y635 S639 D672 L776 V777 L782 N783 A784	Y635-E780 HydrophobicContact CE2-CB 4.32Å; Y635-E780 WeakPolarHBondContact CE2-O 3.21Å; Y635-E780 WeakPolarHBondContact CE2-OE2 3.38Å; S639-E780 WeakPolarHBondContact CA-OE1 3.28Å; S639-E780 WeakPolarHBondContact CB-OE2 3.43Å; S639-E780 VanDerWaalsContact OG-CD 3.31Å; S639-E780 WeakPolarHBondContact OG-CG 3.33Å; D672-E780 WeakPolarHBondContact OD1-CB 3.41Å; L776-E780 HydrophobicContact CD1-CG 4.25Å; L776-E780 WeakPolarHBondContact O-CG 3.24Å; L776-E780 PolarHBondContact O-N 3.19Å; V777-E780 PolarHBondContact O-N 3.18Å; E780-L782 VanDerWaalsContact C-N 3.32Å; E780-L782 PolarHBondContact O-N 3.1Å; E780-N783 CarbonylContact O-C 3.51Å; E780-N783 PolarHBondContact O-N 2.95Å; E780-N783 PolarHBondContact OE2-ND2 2.97Å; E780-A784 WeakPolarHBondContact O-CB 3.4Å; E780-A784 PolarHBondContact O-N 3Å
781	M	95	Very high	91.9	Very high	7 Å²	7	8.1 Å²	8.1	3%	0.034	4%	0.043	C	C	.	.	H	α-helix	trans	-63.8	-37.8	172.8	-67.5	-49.2	91.5	0	0	112.4	T671 P675 V777 T778 I779 L785 I809 S812 M813	T671-M781 HydrophobicContact CG2-CE 3.9Å; P675-M781 HydrophobicContact CG-CE 3.67Å; P675-M781 HydrophobicContact CG-SD 3.86Å; V777-M781 WeakPolarHBondContact O-CG 3.4Å; V777-M781 PolarHBondContact O-N 3.45Å; T778-M781 PolarHBondContact O-N 3.12Å; I779-M781 PolarHBondContact O-N 2.86Å; M781-L785 PolarHBondContact O-N 3.16Å; M781-I809 HydrophobicContact CB-CG2 3.89Å; M781-I809 HydrophobicContact CG-CG2 4Å; M781-I809 HydrophobicContact SD-CB 4.15Å; M781-I809 HydrophobicContact SD-CG1 3.97Å; M781-I809 HydrophobicContact SD-CG2 4.02Å; M781-S812 VanDerWaalsContact SD-CB 3.57Å; M781-M813 HydrophobicContact CG-CG 4.07Å; M781-M813 HydrophobicContact CG-SD 3.9Å
782	L	93.8	Very high	91.3	Very high	27 Å²	27	12.3 Å²	12.3	14%	0.141	6%	0.063	C	C	.	.	H	α-helix	trans	-72.8	-35.6	175	-61.3	171.9	0	0	0	111.4	T778 I779 E780 A784 L785 N786 L847 V849 I850	T778-L782 HydrophobicContact CG2-CD1 4.4Å; T778-L782 VanDerWaalsContact O-CG 3.29Å; T778-L782 WeakPolarHBondContact O-CG 3.44Å; T778-L782 PolarHBondContact O-N 2.89Å; I779-L782 CarbonylContact O-C 3.55Å; I779-L782 PolarHBondContact O-N 3.22Å; I779-L782 VanDerWaalsContact O-N 3.14Å; E780-L782 VanDerWaalsContact C-N 3.32Å; E780-L782 PolarHBondContact O-N 3.1Å; L782-A784 VanDerWaalsContact C-N 3.31Å; L782-L785 WeakPolarHBondContact O-CB 3.32Å; L782-L785 PolarHBondContact O-N 3.25Å; L782-N786 PolarHBondContact O-N 2.87Å; L782-N786 VanDerWaalsContact O-N 3.1Å; L782-L847 HydrophobicContact CD1-CD2 4.25Å; L782-V849 HydrophobicContact CB-CG1 3.65Å; L782-V849 HydrophobicContact CD1-CG1 4.02Å; L782-I850 HydrophobicContact CB-CD1 4.15Å; L782-I850 HydrophobicContact CB-CG1 3.98Å; L782-I850 HydrophobicContact CD2-CD1 3.67Å; L782-I850 HydrophobicContact CD2-CG1 4.41Å; L782-I850 HydrophobicContact CG-CD1 4.33Å
783	N	91.8	Very high	90.7	Very high	2 Å²	2	12.7 Å²	12.7	1%	0.011	7%	0.065	C	C	.	.	H	α-helix	trans	-68	-32.2	175.6	-165.4	27.8	0	0	0	111.9	Y635 S638 I779 E780 L785 N786 S787	Y635-N783 HydrophobicContact CE2-CB 4.5Å; S638-N783 PolarHBondContact OG-ND2 2.7Å; I779-N783 WeakPolarHBondContact O-CB 3.36Å; I779-N783 PolarHBondContact O-N 3.12Å; E780-N783 CarbonylContact O-C 3.51Å; E780-N783 PolarHBondContact O-N 2.95Å; E780-N783 PolarHBondContact OE2-ND2 2.97Å; N783-L785 VanDerWaalsContact C-N 3.31Å; N783-L785 PolarHBondContact O-N 3.21Å; N783-N786 WeakPolarHBondContact O-CB 3.38Å; N783-N786 PolarHBondContact O-N 3.41Å; N783-S787 WeakPolarHBondContact O-CB 3.15Å; N783-S787 PolarHBondContact O-N 2.81Å; N783-S787 PolarHBondContact O-OG 2.89Å
784	A	93	Very high	90.2	Very high	0 Å²	0	13.8 Å²	13.8	0%	0	7%	0.071	C	C	.	.	H	α-helix	trans	-62.9	-38	171.9	0	0	0	0	0	111.5	Y635 P675 E780 L782 S787 L788 L805 I809	Y635-A784 HydrophobicContact CD2-CB 4.4Å; Y635-A784 HydrophobicContact CE2-CB 3.96Å; P675-A784 HydrophobicContact CB-CB 3.81Å; E780-A784 WeakPolarHBondContact O-CB 3.4Å; E780-A784 PolarHBondContact O-N 3Å; L782-A784 VanDerWaalsContact C-N 3.31Å; A784-S787 CarbonylContact O-C 3.44Å; A784-S787 WeakPolarHBondContact O-CB 3.31Å; A784-S787 PolarHBondContact O-N 2.83Å; A784-L788 PolarHBondContact O-N 3.05Å; A784-L805 HydrophobicContact CB-CD1 4.24Å; A784-I809 HydrophobicContact CB-CD1 4.39Å
785	L	92.2	Very high	89.6	Confident	29 Å²	29	20 Å²	20	15%	0.152	10%	0.098	C	C	.	.	H	α-helix	trans	-65.8	-43	172.7	-63.2	178	0	0	0	112	M781 L782 N783 S787 L788 L794 P799 L805 I809	M781-L785 PolarHBondContact O-N 3.16Å; L782-L785 WeakPolarHBondContact O-CB 3.32Å; L782-L785 PolarHBondContact O-N 3.25Å; N783-L785 VanDerWaalsContact C-N 3.31Å; N783-L785 PolarHBondContact O-N 3.21Å; L785-S787 PolarHBondContact O-N 3.3Å; L785-L788 WeakPolarHBondContact O-CB 3.43Å; L785-L788 PolarHBondContact O-N 3.12Å; L785-L794 HydrophobicContact CB-CD2 4.25Å; L785-P799 HydrophobicContact CD2-CB 3.91Å; L785-P799 HydrophobicContact CD2-CG 4.33Å; L785-L805 HydrophobicContact CD2-CD2 4.12Å; L785-I809 HydrophobicContact CD2-CD1 3.48Å; L785-I809 VanDerWaalsContact CD2-CD1 3.48Å; L785-I809 HydrophobicContact CG-CD1 3.78Å
786	N	89.6	Confident	88.8	Confident	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.118	C	C	.	.	H	α-helix	trans	-59.3	-35	173.3	-76.5	-21.4	0	0	0	111.7	L782 N783 L788 L794 D853 K857	L782-N786 PolarHBondContact O-N 2.87Å; L782-N786 VanDerWaalsContact O-N 3.1Å; N783-N786 WeakPolarHBondContact O-CB 3.38Å; N783-N786 PolarHBondContact O-N 3.41Å; N786-L788 PolarHBondContact O-N 3.43Å; N786-L794 WeakPolarHBondContact OD1-CD1 3.19Å; N786-D853 HydrophobicContact CB-CB 4.2Å; N786-D853 VanDerWaalsContact CB-OD2 3.27Å; N786-D853 WeakPolarHBondContact CB-OD2 3.06Å; N786-D853 VanDerWaalsContact ND2-CB 3.26Å; N786-D853 WeakPolarHBondContact ND2-CB 3.26Å; N786-K857 WeakPolarHBondContact O-CE 3.32Å; N786-K857 PolarHBondContact O-NZ 2.84Å
787	S	89.4	Confident	88.1	Confident	7 Å²	7	23.3 Å²	23.3	5%	0.049	12%	0.122	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.9	6.3	176.6	-59.8	0	0	0	0	113.4	Q631 L679 N783 A784 L785 S789	Q631-S787 WeakPolarHBondContact CG-O 3.41Å; Q631-S787 PolarHBondContact NE2-O 2.8Å; L679-S787 WeakPolarHBondContact CD2-O 3.39Å; N783-S787 WeakPolarHBondContact O-CB 3.15Å; N783-S787 PolarHBondContact O-N 2.81Å; N783-S787 PolarHBondContact O-OG 2.89Å; A784-S787 CarbonylContact O-C 3.44Å; A784-S787 WeakPolarHBondContact O-CB 3.31Å; A784-S787 PolarHBondContact O-N 2.83Å; L785-S787 PolarHBondContact O-N 3.3Å; S787-S789 PolarHBondContact O-N 3.3Å
788	L	87	Confident	87.6	Confident	6 Å²	6	24.4 Å²	24.4	3%	0.031	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-26.9	174.1	-149.6	150.1	0	0	0	112.2	N682 A784 L785 N786 M797 W801 N802 L805	N682-L788 PolarHBondContact ND2-O 3.01Å; N682-L788 VanDerWaalsContact ND2-O 3.17Å; A784-L788 PolarHBondContact O-N 3.05Å; L785-L788 WeakPolarHBondContact O-CB 3.43Å; L785-L788 PolarHBondContact O-N 3.12Å; N786-L788 PolarHBondContact O-N 3.43Å; L788-M797 HydrophobicContact CD2-CB 4.29Å; L788-M797 HydrophobicContact CD2-SD 4.18Å; L788-W801 HydrophobicContact CD2-CB 4.49Å; L788-N802 HydrophobicContact CD1-CB 4.28Å; L788-L805 HydrophobicContact CD1-CD2 3.71Å; L788-L805 HydrophobicContact CG-CD2 4.24Å
789	S	83	Confident	87.1	Confident	10 Å²	10	25.6 Å²	25.6	7%	0.07	14%	0.137	C	C	.	.			trans	-143.3	145.6	172	-178.5	0	0	0	0	111.4	S787 Q792 M797 K857	S787-S789 PolarHBondContact O-N 3.3Å; S789-Q792 VanDerWaalsContact OG-CB 3.25Å; S789-Q792 WeakPolarHBondContact OG-CB 3.48Å; S789-Q792 PolarHBondContact OG-N 3.41Å; S789-M797 WeakPolarHBondContact OG-CE 3.47Å; S789-K857 WeakPolarHBondContact O-CE 3.41Å; S789-K857 PolarHBondContact O-NZ 3.19Å
790	E	79.6	Confident	86.6	Confident	53 Å²	53	34.4 Å²	34.4	25%	0.248	17%	0.171	C	C	.	.	S	Bend	trans	-58.1	-57.9	174.2	171.7	159.6	-152.6	0	0	111.3	R634 L705 R708	R634-E790 VanDerWaalsContact CZ-CD 3.45Å; R634-E790 IonicContact CZ-OE1 3.44Å; R634-E790 IonicContact CZ-OE2 2.77Å; R634-E790 VanDerWaalsContact NH1-CG 3.26Å; R634-E790 IonicContact NH1-OE1 3.4Å; R634-E790 PolarHBondContact NH1-OE1 3.23Å; R634-E790 IonicContact NH1-OE2 2.71Å; R634-E790 PolarHBondContact NH1-OE2 3.05Å; R634-E790 IonicContact NH2-OE1 2.86Å; R634-E790 PolarHBondContact NH2-OE1 2.92Å; R634-E790 IonicContact NH2-OE2 2.85Å; R634-E790 PolarHBondContact NH2-OE2 2.9Å; L705-E790 HydrophobicContact CD1-CG 4.42Å; R708-E790 PolarHBondContact NH1-O 2.94Å
791	N	78.2	Confident	86.1	Confident	18 Å²	18	41.1 Å²	41.1	10%	0.096	20%	0.196	C	C	.	.	S	Bend	trans	-122.6	-14.8	-174.4	-66.3	-32.2	0	0	0	114.4	R861 E865	N791-R861 HydrophobicContact CB-CG 4.12Å; N791-R861 VanDerWaalsContact O-CD 3.23Å; N791-R861 WeakPolarHBondContact O-CD 3.44Å; N791-R861 WeakPolarHBondContact O-CG 3.44Å; N791-R861 PolarHBondContact O-NH1 3.03Å; N791-E865 PolarHBondContact ND2-OE1 3.38Å; N791-E865 PolarHBondContact ND2-OE2 3.07Å
792	Q	81.5	Confident	85.9	Confident	88 Å²	88	40.9 Å²	40.9	41%	0.411	20%	0.195	S	C	.	.	S	Bend	trans	-71.7	140.7	177.9	-60.6	-68.1	-14.9	0	0	110.3	S789 M797 K857	S789-Q792 VanDerWaalsContact OG-CB 3.25Å; S789-Q792 WeakPolarHBondContact OG-CB 3.48Å; S789-Q792 PolarHBondContact OG-N 3.41Å; Q792-M797 HydrophobicContact CB-CE 3.81Å; Q792-M797 HydrophobicContact CB-CG 4.27Å; Q792-M797 HydrophobicContact CG-CE 3.6Å; Q792-K857 PolarHBondContact O-NZ 2.98Å; Q792-K857 VanDerWaalsContact O-NZ 3.12Å
793	S	84.3	Confident	85.8	Confident	7 Å²	7	45.6 Å²	45.6	5%	0.049	22%	0.219	C	C	.	.			trans	-65.3	148.4	174.3	167.9	0	0	0	0	110.7	F795 A796 M797 E854	S793-F795 PolarHBondContact O-N 2.76Å; S793-F795 WeakPolarHBondContact OG-CB 3.18Å; S793-F795 VanDerWaalsContact OG-CD2 3.3Å; S793-F795 WeakPolarHBondContact OG-CD2 3.34Å; S793-F795 PolarHBondContact OG-N 2.61Å; S793-F795 VanDerWaalsContact OG-N 3.08Å; S793-A796 PolarHBondContact O-N 2.71Å; S793-M797 PolarHBondContact O-N 3.12Å; S793-E854 WeakPolarHBondContact CA-OE1 3.32Å; S793-E854 WeakPolarHBondContact CB-OE1 3.44Å; S793-E854 PolarHBondContact OG-OE1 3.37Å
794	L	85.6	Confident	85.9	Confident	25 Å²	25	53.5 Å²	53.5	13%	0.131	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-21.6	168.9	-86.4	155.1	0	0	0	112.7	L785 N786 M797 P798 P799 I850 E854	L785-L794 HydrophobicContact CB-CD2 4.25Å; N786-L794 WeakPolarHBondContact OD1-CD1 3.19Å; L794-M797 WeakPolarHBondContact CA-O 3.31Å; L794-M797 CarbonylContact O-C 3.41Å; L794-M797 VanDerWaalsContact O-C 3.31Å; L794-P798 WeakPolarHBondContact O-CA 3.5Å; L794-P799 HydrophobicContact CD2-CG 3.96Å; L794-I850 HydrophobicContact CD1-CG2 3.94Å; L794-E854 PolarHBondContact N-OE1 3.22Å
795	F	83.1	Confident	86	Confident	130 Å²	130	53.5 Å²	53.5	57%	0.57	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-74.1	-31.4	171.8	-63.8	-68.8	0	0	0	112.7	S793 T885	S793-F795 PolarHBondContact O-N 2.76Å; S793-F795 WeakPolarHBondContact OG-CB 3.18Å; S793-F795 VanDerWaalsContact OG-CD2 3.3Å; S793-F795 WeakPolarHBondContact OG-CD2 3.34Å; S793-F795 PolarHBondContact OG-N 2.61Å; S793-F795 VanDerWaalsContact OG-N 3.08Å; F795-T885 HydrophobicContact CE2-CG2 4.35Å; F795-T885 HydrophobicContact CZ-CG2 3.73Å
796	A	80.1	Confident	86.1	Confident	50 Å²	50	55.3 Å²	55.3	41%	0.413	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-38.9	177.5	0	0	0	0	0	111.7	S793	S793-A796 PolarHBondContact O-N 2.71Å
797	M	80.8	Confident	86.3	Confident	22 Å²	22	57.8 Å²	57.8	11%	0.108	28%	0.282	C	S	.	.	S	Bend	trans	-117.6	93.2	172.2	-76.9	-154.8	-129.8	0	0	110.4	L788 S789 Q792 S793 L794 W801	L788-M797 HydrophobicContact CD2-CB 4.29Å; L788-M797 HydrophobicContact CD2-SD 4.18Å; S789-M797 WeakPolarHBondContact OG-CE 3.47Å; Q792-M797 HydrophobicContact CB-CE 3.81Å; Q792-M797 HydrophobicContact CB-CG 4.27Å; Q792-M797 HydrophobicContact CG-CE 3.6Å; S793-M797 PolarHBondContact O-N 3.12Å; L794-M797 WeakPolarHBondContact CA-O 3.31Å; L794-M797 CarbonylContact O-C 3.41Å; L794-M797 VanDerWaalsContact O-C 3.31Å; M797-W801 HydrophobicContact CB-CE3 4.32Å; M797-W801 HydrophobicContact CG-CE3 3.73Å; M797-W801 HydrophobicContact CG-CH2 4.37Å; M797-W801 HydrophobicContact CG-CZ3 3.61Å; M797-W801 HydrophobicContact SD-CE3 3.65Å; M797-W801 HydrophobicContact SD-CZ3 3.59Å; M797-W801 VanDerWaalsContact SD-CZ3 3.59Å
798	P	85.7	Confident	86.7	Confident	22 Å²	22	58 Å²	58	14%	0.143	28%	0.284	C	S	.	.			trans	-66.1	153.8	179.8	-20.2	32	0	0	0	113	L794 W800 W801	L794-P798 WeakPolarHBondContact O-CA 3.5Å; P798-W800 HydrophobicContact CB-CD2 3.52Å; P798-W800 HydrophobicContact CB-CE3 3.82Å; P798-W800 HydrophobicContact CB-CG 4.22Å; P798-W800 HydrophobicContact CB-CH2 3.54Å; P798-W800 HydrophobicContact CB-CZ2 3.2Å; P798-W800 HydrophobicContact CB-CZ3 3.82Å; P798-W800 HydrophobicContact CG-CH2 4.18Å; P798-W800 HydrophobicContact CG-CZ2 3.54Å; P798-W800 PolarHBondContact O-N 2.55Å; P798-W801 WeakPolarHBondContact O-CB 3.38Å; P798-W801 PolarHBondContact O-N 2.98Å
799	P	84.6	Confident	87.1	Confident	35 Å²	35	59 Å²	59	23%	0.227	29%	0.289	C	S	.	.	G	3₁₀ helix	trans	-51.1	-34	178.8	-31.5	37.3	0	0	0	115.4	L785 L794 W801 N802 V806	L785-P799 HydrophobicContact CD2-CB 3.91Å; L785-P799 HydrophobicContact CD2-CG 4.33Å; L794-P799 HydrophobicContact CD2-CG 3.96Å; P799-W801 PolarHBondContact O-N 3.36Å; P799-N802 PolarHBondContact O-N 2.89Å; P799-V806 HydrophobicContact CB-CG2 4.45Å; P799-V806 WeakPolarHBondContact O-CG2 3.38Å
800	W	86.9	Confident	87.7	Confident	185 Å²	185	61.1 Å²	61.1	70%	0.701	31%	0.307	S	S	*	.	G	3₁₀ helix	trans	-75.9	-4.1	-176.3	53.9	82.7	0	0	0	114.5	P798 N802	P798-W800 HydrophobicContact CB-CD2 3.52Å; P798-W800 HydrophobicContact CB-CE3 3.82Å; P798-W800 HydrophobicContact CB-CG 4.22Å; P798-W800 HydrophobicContact CB-CH2 3.54Å; P798-W800 HydrophobicContact CB-CZ2 3.2Å; P798-W800 HydrophobicContact CB-CZ3 3.82Å; P798-W800 HydrophobicContact CG-CH2 4.18Å; P798-W800 HydrophobicContact CG-CZ2 3.54Å; P798-W800 PolarHBondContact O-N 2.55Å; W800-N802 PolarHBondContact O-N 2.82Å
801	W	84.2	Confident	88.5	Confident	140 Å²	140	62.6 Å²	62.6	53%	0.53	32%	0.316	S	S	.	.	G	3₁₀ helix	trans	-62.5	-33.7	169.4	-98	22.8	0	0	0	112.4	P683 L788 M797 P798 P799	P683-W801 HydrophobicContact CG-CE3 3.92Å; P683-W801 HydrophobicContact CG-CZ3 4.44Å; L788-W801 HydrophobicContact CD2-CB 4.49Å; M797-W801 HydrophobicContact CB-CE3 4.32Å; M797-W801 HydrophobicContact CG-CE3 3.73Å; M797-W801 HydrophobicContact CG-CH2 4.37Å; M797-W801 HydrophobicContact CG-CZ3 3.61Å; M797-W801 HydrophobicContact SD-CE3 3.65Å; M797-W801 HydrophobicContact SD-CZ3 3.59Å; M797-W801 VanDerWaalsContact SD-CZ3 3.59Å; P798-W801 WeakPolarHBondContact O-CB 3.38Å; P798-W801 PolarHBondContact O-N 2.98Å; P799-W801 PolarHBondContact O-N 3.36Å
802	N	90.2	Very high	89.3	Confident	2 Å²	2	61.8 Å²	61.8	1%	0.011	31%	0.311	C	S	.	.			trans	-110.7	88.3	171	-170.9	-10.8	0	0	0	109.9	A678 N682 L788 P799 W800 W804 L805 V806	A678-N802 PolarHBondContact O-ND2 3.47Å; N682-N802 PolarHBondContact OD1-ND2 2.84Å; L788-N802 HydrophobicContact CD1-CB 4.28Å; P799-N802 PolarHBondContact O-N 2.89Å; W800-N802 PolarHBondContact O-N 2.82Å; N802-W804 PolarHBondContact O-N 3.49Å; N802-W804 VanDerWaalsContact OD1-CB 3.31Å; N802-W804 WeakPolarHBondContact OD1-CB 3.24Å; N802-W804 PolarHBondContact OD1-N 2.68Å; N802-W804 VanDerWaalsContact OD1-N 3.1Å; N802-L805 HydrophobicContact CB-CB 3.91Å; N802-L805 WeakPolarHBondContact O-CB 3.22Å; N802-L805 PolarHBondContact O-N 2.68Å; N802-L805 PolarHBondContact OD1-N 3.19Å; N802-L805 VanDerWaalsContact OD1-N 3.08Å; N802-V806 PolarHBondContact O-N 3.33Å
803	I	92.1	Very high	90	Very high	126 Å²	126	59.4 Å²	59.4	65%	0.646	30%	0.301	S	S	*	.	H	α-helix	trans	-59.2	-32.1	177	-60.8	175.1	0	0	0	111.1	L805 V806 A807	I803-L805 VanDerWaalsContact C-N 3.32Å; I803-L805 PolarHBondContact O-N 2.77Å; I803-V806 PolarHBondContact O-N 2.88Å; I803-A807 WeakPolarHBondContact O-CB 3.2Å; I803-A807 PolarHBondContact O-N 2.94Å
804	W	93.5	Very high	90.6	Very high	169 Å²	169	62.8 Å²	62.8	64%	0.64	32%	0.321	S	S	*	.	H	α-helix	trans	-66.3	-35.5	176.8	-60	104.3	0	0	0	111.9	A678 N802 A807 A808	A678-W804 HydrophobicContact CB-CB 4.38Å; N802-W804 PolarHBondContact O-N 3.49Å; N802-W804 VanDerWaalsContact OD1-CB 3.31Å; N802-W804 WeakPolarHBondContact OD1-CB 3.24Å; N802-W804 PolarHBondContact OD1-N 2.68Å; N802-W804 VanDerWaalsContact OD1-N 3.1Å; W804-A807 PolarHBondContact O-N 2.89Å; W804-A808 VanDerWaalsContact O-CB 3.25Å; W804-A808 WeakPolarHBondContact O-CB 3.05Å; W804-A808 PolarHBondContact O-N 2.91Å
805	L	94.3	Very high	91.1	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-66.1	-45.3	175.2	-175.6	66.9	0	0	0	111.3	P675 A678 L679 A784 L785 L788 N802 I803 A807 A808 I809	P675-L805 HydrophobicContact CB-CD1 3.98Å; A678-L805 HydrophobicContact CB-CB 4.25Å; A678-L805 HydrophobicContact CB-CD1 4.06Å; L679-L805 HydrophobicContact CD2-CD1 4.09Å; L679-L805 HydrophobicContact CD2-CD2 4Å; L679-L805 HydrophobicContact CG-CD1 4.06Å; A784-L805 HydrophobicContact CB-CD1 4.24Å; L785-L805 HydrophobicContact CD2-CD2 4.12Å; L788-L805 HydrophobicContact CD1-CD2 3.71Å; L788-L805 HydrophobicContact CG-CD2 4.24Å; N802-L805 HydrophobicContact CB-CB 3.91Å; N802-L805 WeakPolarHBondContact O-CB 3.22Å; N802-L805 PolarHBondContact O-N 2.68Å; N802-L805 PolarHBondContact OD1-N 3.19Å; N802-L805 VanDerWaalsContact OD1-N 3.08Å; I803-L805 VanDerWaalsContact C-N 3.32Å; I803-L805 PolarHBondContact O-N 2.77Å; L805-A807 VanDerWaalsContact C-N 3.31Å; L805-A807 PolarHBondContact O-N 3.31Å; L805-A808 PolarHBondContact O-N 3.37Å; L805-I809 HydrophobicContact CD1-CD1 4.34Å; L805-I809 HydrophobicContact CG-CD1 3.97Å; L805-I809 WeakPolarHBondContact O-CG1 3.26Å; L805-I809 PolarHBondContact O-N 2.91Å
806	V	94.1	Very high	91.7	Very high	66 Å²	66	57.7 Å²	57.7	40%	0.4	30%	0.3	S	S	.	.	H	α-helix	trans	-61.1	-43	176.9	179.9	0	0	0	0	110.8	P799 N802 I803 I809 A810	P799-V806 HydrophobicContact CB-CG2 4.45Å; P799-V806 WeakPolarHBondContact O-CG2 3.38Å; N802-V806 PolarHBondContact O-N 3.33Å; I803-V806 PolarHBondContact O-N 2.88Å; V806-I809 PolarHBondContact O-N 3.24Å; V806-A810 WeakPolarHBondContact O-CB 3.44Å; V806-A810 PolarHBondContact O-N 3.22Å
807	A	95.5	Very high	92.4	Very high	53 Å²	53	59.1 Å²	59.1	44%	0.438	30%	0.297	S	S	.	.	H	α-helix	trans	-65	-40	176.1	0	0	0	0	0	112.4	I803 W804 L805 A810 L811	I803-A807 WeakPolarHBondContact O-CB 3.2Å; I803-A807 PolarHBondContact O-N 2.94Å; W804-A807 PolarHBondContact O-N 2.89Å; L805-A807 VanDerWaalsContact C-N 3.31Å; L805-A807 PolarHBondContact O-N 3.31Å; A807-A810 PolarHBondContact O-N 3.27Å; A807-L811 WeakPolarHBondContact O-CB 3.42Å; A807-L811 PolarHBondContact O-N 3.44Å
808	A	95.8	Very high	93.1	Very high	12 Å²	12	61 Å²	61	10%	0.099	31%	0.31	C	S	.	.	H	α-helix	trans	-65.6	-43.9	177	0	0	0	0	0	111.8	L674 A678 W804 L805 A810 L811 S812	L674-A808 HydrophobicContact CB-CB 4.43Å; A678-A808 HydrophobicContact CB-CB 3.62Å; W804-A808 VanDerWaalsContact O-CB 3.25Å; W804-A808 WeakPolarHBondContact O-CB 3.05Å; W804-A808 PolarHBondContact O-N 2.91Å; L805-A808 PolarHBondContact O-N 3.37Å; A808-A810 VanDerWaalsContact C-N 3.35Å; A808-A810 PolarHBondContact O-N 2.8Å; A808-L811 PolarHBondContact O-N 2.91Å; A808-S812 WeakPolarHBondContact O-CB 3.41Å; A808-S812 PolarHBondContact O-N 3.26Å; A808-S812 PolarHBondContact O-OG 3.13Å
809	I	95.4	Very high	93.5	Very high	27 Å²	27	60 Å²	60	14%	0.138	30%	0.303	C	S	.	.	H	α-helix	trans	-60.5	-45.3	174.7	-70.8	167.2	0	0	0	110.7	P675 M781 A784 L785 L805 V806 L811 S812 M813	P675-I809 HydrophobicContact CG-CG1 4.46Å; M781-I809 HydrophobicContact CB-CG2 3.89Å; M781-I809 HydrophobicContact CG-CG2 4Å; M781-I809 HydrophobicContact SD-CB 4.15Å; M781-I809 HydrophobicContact SD-CG1 3.97Å; M781-I809 HydrophobicContact SD-CG2 4.02Å; A784-I809 HydrophobicContact CB-CD1 4.39Å; L785-I809 HydrophobicContact CD2-CD1 3.48Å; L785-I809 VanDerWaalsContact CD2-CD1 3.48Å; L785-I809 HydrophobicContact CG-CD1 3.78Å; L805-I809 HydrophobicContact CD1-CD1 4.34Å; L805-I809 HydrophobicContact CG-CD1 3.97Å; L805-I809 WeakPolarHBondContact O-CG1 3.26Å; L805-I809 PolarHBondContact O-N 2.91Å; V806-I809 PolarHBondContact O-N 3.24Å; I809-L811 VanDerWaalsContact C-N 3.3Å; I809-L811 PolarHBondContact O-N 3.47Å; I809-S812 PolarHBondContact O-N 3.38Å; I809-M813 WeakPolarHBondContact O-CB 3.22Å; I809-M813 WeakPolarHBondContact O-CG 3.19Å; I809-M813 PolarHBondContact O-N 3.3Å
810	A	95.9	Very high	94	Very high	53 Å²	53	58.5 Å²	58.5	44%	0.438	29%	0.293	S	S	.	.	H	α-helix	trans	-61.6	-40	177.2	0	0	0	0	0	111.9	V806 A807 A808 T814	V806-A810 WeakPolarHBondContact O-CB 3.44Å; V806-A810 PolarHBondContact O-N 3.22Å; A807-A810 PolarHBondContact O-N 3.27Å; A808-A810 VanDerWaalsContact C-N 3.35Å; A808-A810 PolarHBondContact O-N 2.8Å; A810-T814 WeakPolarHBondContact O-CB 3.47Å; A810-T814 PolarHBondContact O-N 3.31Å; A810-T814 PolarHBondContact O-OG1 3.16Å
811	L	96.5	Very high	94.3	Very high	85 Å²	85	55.4 Å²	55.4	45%	0.445	28%	0.282	S	S	.	.	H	α-helix	trans	-67	-45.5	176.1	-177.7	59.8	0	0	0	111.7	L674 A807 A808 I809 M813 T814 L815	L674-L811 HydrophobicContact CD1-CB 4.47Å; L674-L811 HydrophobicContact CD1-CD2 3.81Å; L674-L811 HydrophobicContact CD1-CG 3.89Å; L674-L811 HydrophobicContact CD2-CD2 4.31Å; A807-L811 WeakPolarHBondContact O-CB 3.42Å; A807-L811 PolarHBondContact O-N 3.44Å; A808-L811 PolarHBondContact O-N 2.91Å; I809-L811 VanDerWaalsContact C-N 3.3Å; I809-L811 PolarHBondContact O-N 3.47Å; L811-M813 PolarHBondContact O-N 2.59Å; L811-T814 WeakPolarHBondContact O-CB 3.36Å; L811-T814 PolarHBondContact O-N 2.52Å; L811-L815 HydrophobicContact CD1-CG 4.45Å; L811-L815 HydrophobicContact CG-CD1 4.27Å; L811-L815 WeakPolarHBondContact O-CG 3.24Å; L811-L815 PolarHBondContact O-N 3.15Å
812	S	96.3	Very high	94.7	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-60.5	-44.7	176.4	-70.1	0	0	0	0	111.9	T671 M781 A808 I809 T814 L815 H816	T671-S812 PolarHBondContact O-OG 2.8Å; M781-S812 VanDerWaalsContact SD-CB 3.57Å; A808-S812 WeakPolarHBondContact O-CB 3.41Å; A808-S812 PolarHBondContact O-N 3.26Å; A808-S812 PolarHBondContact O-OG 3.13Å; I809-S812 PolarHBondContact O-N 3.38Å; S812-T814 VanDerWaalsContact C-N 3.33Å; S812-T814 PolarHBondContact O-N 3.1Å; S812-L815 PolarHBondContact O-N 2.63Å; S812-H816 PolarHBondContact O-N 2.96Å
813	M	95.5	Very high	94.8	Very high	38 Å²	38	58 Å²	58	19%	0.187	31%	0.308	C	S	.	.	H	α-helix	trans	-63.8	-38.9	174.5	-73.2	-59	-61.2	0	0	112.1	V777 M781 I809 L811 H816 F817 W839	V777-M813 HydrophobicContact CG1-SD 3.94Å; M781-M813 HydrophobicContact CG-CG 4.07Å; M781-M813 HydrophobicContact CG-SD 3.9Å; I809-M813 WeakPolarHBondContact O-CB 3.22Å; I809-M813 WeakPolarHBondContact O-CG 3.19Å; I809-M813 PolarHBondContact O-N 3.3Å; L811-M813 PolarHBondContact O-N 2.59Å; M813-H816 WeakPolarHBondContact O-CB 3.02Å; M813-H816 PolarHBondContact O-N 3.11Å; M813-F817 HydrophobicContact CE-CE2 4.18Å; M813-F817 HydrophobicContact CE-CZ 4.22Å; M813-F817 WeakPolarHBondContact O-CD2 3.39Å; M813-F817 PolarHBondContact O-N 3.14Å; M813-W839 HydrophobicContact CE-CH2 4.13Å; M813-W839 HydrophobicContact CE-CZ3 4.32Å
814	T	96.6	Very high	94.9	Very high	78 Å²	78	58 Å²	58	48%	0.479	31%	0.308	S	S	.	.	H	α-helix	trans	-63	-44.2	175.6	-58	0	0	0	0	111	A810 L811 S812 H816 F817 V818	A810-T814 WeakPolarHBondContact O-CB 3.47Å; A810-T814 PolarHBondContact O-N 3.31Å; A810-T814 PolarHBondContact O-OG1 3.16Å; L811-T814 WeakPolarHBondContact O-CB 3.36Å; L811-T814 PolarHBondContact O-N 2.52Å; S812-T814 VanDerWaalsContact C-N 3.33Å; S812-T814 PolarHBondContact O-N 3.1Å; T814-H816 VanDerWaalsContact C-N 3.3Å; T814-H816 PolarHBondContact O-N 2.67Å; T814-F817 PolarHBondContact O-N 3.02Å; T814-V818 WeakPolarHBondContact O-CG2 3.35Å; T814-V818 PolarHBondContact O-N 3.06Å
815	L	96	Very high	94.8	Very high	48 Å²	48	52.2 Å²	52.2	25%	0.251	29%	0.29	S	S	.	.	H	α-helix	trans	-63.7	-36.9	175.7	-70.8	171.6	0	0	0	111.7	V670 L674 L811 S812 V818 I819	V670-L815 HydrophobicContact CG1-CD1 3.81Å; L674-L815 HydrophobicContact CD1-CD1 3.78Å; L811-L815 HydrophobicContact CD1-CG 4.45Å; L811-L815 HydrophobicContact CG-CD1 4.27Å; L811-L815 WeakPolarHBondContact O-CG 3.24Å; L811-L815 PolarHBondContact O-N 3.15Å; S812-L815 PolarHBondContact O-N 2.63Å; L815-V818 WeakPolarHBondContact O-CB 3.26Å; L815-V818 PolarHBondContact O-N 3.41Å; L815-I819 PolarHBondContact O-N 2.82Å
816	H	96	Very high	94.6	Very high	0 Å²	0	52.6 Å²	52.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61.6	-43.5	173.1	-170.5	59.1	0	0	0	112.1	S774 V777 S812 M813 T814 V818 I819 L820 W839	S774-H816 PolarHBondContact OG-NE2 3.49Å; V777-H816 HydrophobicContact CG1-CB 4.1Å; S812-H816 PolarHBondContact O-N 2.96Å; M813-H816 WeakPolarHBondContact O-CB 3.02Å; M813-H816 PolarHBondContact O-N 3.11Å; T814-H816 VanDerWaalsContact C-N 3.3Å; T814-H816 PolarHBondContact O-N 2.67Å; H816-V818 VanDerWaalsContact C-N 3.32Å; H816-V818 PolarHBondContact O-N 2.98Å; H816-I819 WeakPolarHBondContact O-CG1 3.5Å; H816-I819 PolarHBondContact O-N 2.87Å; H816-L820 WeakPolarHBondContact NE2-CD1 3.38Å; H816-L820 PolarHBondContact O-N 2.9Å; H816-L820 VanDerWaalsContact O-N 3.15Å; H816-W839 AromaticContact CD2-CH2 3.91Å
817	F	95.2	Very high	94.5	Very high	80 Å²	80	54.7 Å²	54.7	35%	0.351	31%	0.307	S	S	.	.	H	α-helix	trans	-64.4	-36.7	172.7	-69.5	-57	0	0	0	112.5	M813 T814 L820 Y821 W839	M813-F817 HydrophobicContact CE-CE2 4.18Å; M813-F817 HydrophobicContact CE-CZ 4.22Å; M813-F817 WeakPolarHBondContact O-CD2 3.39Å; M813-F817 PolarHBondContact O-N 3.14Å; T814-F817 PolarHBondContact O-N 3.02Å; F817-L820 PolarHBondContact O-N 2.95Å; F817-Y821 HydrophobicContact CB-CD2 4.27Å; F817-Y821 HydrophobicContact CD1-CD2 4.27Å; F817-Y821 AromaticContact CD1-CE2 3.78Å; F817-Y821 HydrophobicContact CD1-CE2 3.78Å; F817-Y821 HydrophobicContact CE1-CE2 4.49Å; F817-Y821 VanDerWaalsContact O-CD2 3.29Å; F817-Y821 WeakPolarHBondContact O-CD2 3.45Å; F817-Y821 PolarHBondContact O-N 2.89Å; F817-W839 AromaticContact CD1-CZ2 4Å; F817-W839 HydrophobicContact CD1-CZ2 4Å; F817-W839 AromaticContact CE1-CE2 3.72Å; F817-W839 AromaticContact CE1-CH2 3.94Å; F817-W839 HydrophobicContact CE1-CH2 3.94Å; F817-W839 AromaticContact CE1-CZ2 3.31Å; F817-W839 HydrophobicContact CE1-CZ2 3.31Å; F817-W839 HydrophobicContact CZ-CH2 4.23Å; F817-W839 HydrophobicContact CZ-CZ2 4.03Å
818	V	95.1	Very high	94.4	Very high	62 Å²	62	56.9 Å²	56.9	38%	0.376	31%	0.31	S	S	.	.	H	α-helix	trans	-62.1	-43.8	176.2	169.2	0	0	0	0	111.1	T814 L815 H816 L820 V822 L825	T814-V818 WeakPolarHBondContact O-CG2 3.35Å; T814-V818 PolarHBondContact O-N 3.06Å; L815-V818 WeakPolarHBondContact O-CB 3.26Å; L815-V818 PolarHBondContact O-N 3.41Å; H816-V818 VanDerWaalsContact C-N 3.32Å; H816-V818 PolarHBondContact O-N 2.98Å; V818-L820 VanDerWaalsContact C-N 3.33Å; V818-L820 PolarHBondContact O-N 3.42Å; V818-V822 HydrophobicContact CG1-CG2 4.06Å; V818-V822 WeakPolarHBondContact O-CB 3.32Å; V818-V822 VanDerWaalsContact O-CG2 3.24Å; V818-V822 WeakPolarHBondContact O-CG2 3.49Å; V818-V822 PolarHBondContact O-N 2.79Å; V818-V822 VanDerWaalsContact O-N 3.07Å; V818-L825 HydrophobicContact CG1-CD1 3.75Å
819	I	94.9	Very high	94.3	Very high	2 Å²	2	57 Å²	57	1%	0.01	31%	0.308	C	S	.	.	H	α-helix	trans	-68.6	-31.3	178.3	64.1	168.9	0	0	0	112.8	W666 L773 L815 H816 L825 G826 F829 I831	W666-I819 HydrophobicContact CZ2-CG2 4.01Å; L773-I819 HydrophobicContact CD2-CD1 4.12Å; L815-I819 PolarHBondContact O-N 2.82Å; H816-I819 WeakPolarHBondContact O-CG1 3.5Å; H816-I819 PolarHBondContact O-N 2.87Å; I819-L825 HydrophobicContact CB-CB 4.36Å; I819-L825 HydrophobicContact CG2-CB 4.47Å; I819-L825 HydrophobicContact CG2-CD1 4.21Å; I819-G826 PolarHBondContact O-N 2.89Å; I819-F829 HydrophobicContact CB-CD2 4.06Å; I819-F829 HydrophobicContact CB-CE2 4.28Å; I819-F829 HydrophobicContact CG2-CD2 4.09Å; I819-F829 HydrophobicContact CG2-CE2 3.78Å; I819-I831 HydrophobicContact CB-CD1 4.27Å; I819-I831 HydrophobicContact CD1-CD1 3.96Å; I819-I831 HydrophobicContact CG1-CD1 3.97Å
820	L	93.2	Very high	94.1	Very high	3 Å²	3	60.5 Å²	60.5	2%	0.016	32%	0.324	C	S	.	.	H	α-helix	trans	-75.5	-41.4	178.8	-80.9	169.3	0	0	0	113.5	A770 H816 F817 V818 I831 Q832 W839	A770-L820 HydrophobicContact CB-CD2 4.06Å; H816-L820 WeakPolarHBondContact NE2-CD1 3.38Å; H816-L820 PolarHBondContact O-N 2.9Å; H816-L820 VanDerWaalsContact O-N 3.15Å; F817-L820 PolarHBondContact O-N 2.95Å; V818-L820 VanDerWaalsContact C-N 3.33Å; V818-L820 PolarHBondContact O-N 3.42Å; L820-I831 HydrophobicContact CD2-CB 4.25Å; L820-I831 HydrophobicContact CD2-CD1 3.93Å; L820-I831 HydrophobicContact CD2-CG1 4.28Å; L820-I831 HydrophobicContact CG-CD1 4.27Å; L820-Q832 VanDerWaalsContact CD2-O 3.3Å; L820-Q832 WeakPolarHBondContact CD2-O 3.43Å; L820-W839 HydrophobicContact CD1-CZ2 3.93Å
821	Y	93.3	Very high	94	Very high	120 Å²	120	58.2 Å²	58.2	47%	0.471	31%	0.305	S	S	.	.	H	α-helix	trans	-100.3	-11	-170.8	-69.4	-74.5	0	0	0	114.1	F817 P833 L834	F817-Y821 HydrophobicContact CB-CD2 4.27Å; F817-Y821 HydrophobicContact CD1-CD2 4.27Å; F817-Y821 AromaticContact CD1-CE2 3.78Å; F817-Y821 HydrophobicContact CD1-CE2 3.78Å; F817-Y821 HydrophobicContact CE1-CE2 4.49Å; F817-Y821 VanDerWaalsContact O-CD2 3.29Å; F817-Y821 WeakPolarHBondContact O-CD2 3.45Å; F817-Y821 PolarHBondContact O-N 2.89Å; Y821-P833 HydrophobicContact CD1-CB 3.62Å; Y821-P833 HydrophobicContact CE1-CB 3.46Å; Y821-P833 VanDerWaalsContact CE1-CB 3.46Å; Y821-L834 PolarHBondContact OH-O 2.81Å
822	V	94.4	Very high	93.7	Very high	64 Å²	64	58.1 Å²	58.1	39%	0.388	30%	0.302	S	S	.	.	S	Bend	trans	-92.6	108.8	172.6	178.6	0	0	0	0	109.5	V818 I824 L825 G826	V818-V822 HydrophobicContact CG1-CG2 4.06Å; V818-V822 WeakPolarHBondContact O-CB 3.32Å; V818-V822 VanDerWaalsContact O-CG2 3.24Å; V818-V822 WeakPolarHBondContact O-CG2 3.49Å; V818-V822 PolarHBondContact O-N 2.79Å; V818-V822 VanDerWaalsContact O-N 3.07Å; V822-I824 PolarHBondContact O-N 3.39Å; V822-L825 HydrophobicContact CB-CB 4.44Å; V822-L825 HydrophobicContact CB-CD1 4.13Å; V822-L825 HydrophobicContact CB-CG 4.35Å; V822-L825 HydrophobicContact CG1-CD1 4.29Å; V822-L825 HydrophobicContact CG1-CG 4.23Å; V822-L825 WeakPolarHBondContact O-CA 3.3Å; V822-L825 PolarHBondContact O-N 2.87Å; V822-G826 PolarHBondContact O-N 3.33Å
823	N	90.6	Very high	93.6	Very high	131 Å²	131	60.9 Å²	60.9	70%	0.701	32%	0.32	S	S	*	.	H	α-helix	trans	-48.9	-38.9	-174	-67.2	-10.6	0	0	0	115.1	L825 T827	N823-L825 VanDerWaalsContact C-N 3.34Å; N823-T827 PolarHBondContact O-N 3.48Å; N823-T827 PolarHBondContact O-OG1 3.21Å
824	I	94.1	Very high	93.4	Very high	126 Å²	126	59.5 Å²	59.5	65%	0.646	31%	0.313	S	S	*	.	H	α-helix	trans	-62.7	-44.3	178.7	-64.3	167.9	0	0	0	110.5	V822 I828	V822-I824 PolarHBondContact O-N 3.39Å; I824-I828 HydrophobicContact CG2-CD1 4.19Å; I824-I828 WeakPolarHBondContact O-CG1 2.95Å; I824-I828 PolarHBondContact O-N 3.43Å
825	L	92.4	Very high	93.3	Very high	49 Å²	49	57.9 Å²	57.9	26%	0.257	31%	0.305	S	S	.	.	H	α-helix	trans	-73	-42.6	-180	-62.2	175.1	0	0	0	110.6	V818 I819 V822 N823 T827 I828 F829	V818-L825 HydrophobicContact CG1-CD1 3.75Å; I819-L825 HydrophobicContact CB-CB 4.36Å; I819-L825 HydrophobicContact CG2-CB 4.47Å; I819-L825 HydrophobicContact CG2-CD1 4.21Å; V822-L825 HydrophobicContact CB-CB 4.44Å; V822-L825 HydrophobicContact CB-CD1 4.13Å; V822-L825 HydrophobicContact CB-CG 4.35Å; V822-L825 HydrophobicContact CG1-CD1 4.29Å; V822-L825 HydrophobicContact CG1-CG 4.23Å; V822-L825 WeakPolarHBondContact O-CA 3.3Å; V822-L825 PolarHBondContact O-N 2.87Å; N823-L825 VanDerWaalsContact C-N 3.34Å; L825-T827 PolarHBondContact O-N 3.11Å; L825-I828 PolarHBondContact O-N 2.87Å; L825-F829 HydrophobicContact CB-CD2 4.27Å; L825-F829 HydrophobicContact CB-CE2 4.48Å; L825-F829 HydrophobicContact CD2-CE2 4.4Å; L825-F829 VanDerWaalsContact O-CD2 3.24Å; L825-F829 WeakPolarHBondContact O-CD2 3.48Å; L825-F829 PolarHBondContact O-N 3.01Å
826	G	90	Very high	93	Very high	7 Å²	7	63.3 Å²	63.3	7%	0.072	33%	0.327	C	S	.	.	H	α-helix	trans	-56.2	-37.2	175.9	0	0	0	0	0	112.9	I819 V822 Q830 I831	I819-G826 PolarHBondContact O-N 2.89Å; V822-G826 PolarHBondContact O-N 3.33Å; G826-Q830 WeakPolarHBondContact O-CA 3.33Å; G826-Q830 PolarHBondContact O-N 2.76Å; G826-I831 CarbonylContact C-O 3.5Å; G826-I831 WeakPolarHBondContact CA-O 3.37Å; G826-I831 PolarHBondContact O-N 2.89Å
827	T	91.1	Very high	92.8	Very high	111 Å²	111	67.1 Å²	67.1	68%	0.681	35%	0.35	S	S	*	.	H	α-helix	trans	-68	-43	175.3	-50.6	0	0	0	0	112.3	N823 L825 Q830	N823-T827 PolarHBondContact O-N 3.48Å; N823-T827 PolarHBondContact O-OG1 3.21Å; L825-T827 PolarHBondContact O-N 3.11Å; T827-Q830 PolarHBondContact O-N 3.47Å
828	I	93.1	Very high	92.7	Very high	99 Å²	99	63.6 Å²	63.6	51%	0.508	34%	0.335	S	S	.	.	H	α-helix	trans	-65.8	-42.4	179.3	-68.2	166.4	0	0	0	110.8	I824 L825 Q830	I824-I828 HydrophobicContact CG2-CD1 4.19Å; I824-I828 WeakPolarHBondContact O-CG1 2.95Å; I824-I828 PolarHBondContact O-N 3.43Å; L825-I828 PolarHBondContact O-N 2.87Å; I828-Q830 VanDerWaalsContact C-N 3.33Å
829	F	93.8	Very high	92.7	Very high	13 Å²	13	62 Å²	62	6%	0.057	32%	0.322	C	S	.	.	H	α-helix	trans	-85.8	-2.8	-178.4	-71.8	-69.9	0	0	0	113.6	V662 Q663 W666 I819 L825 I831	V662-F829 HydrophobicContact CG1-CD1 3.94Å; V662-F829 HydrophobicContact CG1-CE1 3.86Å; Q663-F829 HydrophobicContact CG-CD1 4.36Å; Q663-F829 WeakPolarHBondContact CG-O 3.39Å; Q663-F829 PolarHBondContact NE2-O 2.96Å; W666-F829 HydrophobicContact CB-CE1 3.6Å; W666-F829 HydrophobicContact CB-CZ 4.02Å; W666-F829 HydrophobicContact CD2-CE1 4.24Å; W666-F829 AromaticContact CD2-CZ 3.71Å; W666-F829 HydrophobicContact CD2-CZ 3.71Å; W666-F829 HydrophobicContact CE3-CE1 4.42Å; W666-F829 AromaticContact CE3-CZ 3.68Å; W666-F829 HydrophobicContact CE3-CZ 3.68Å; W666-F829 AromaticContact CG-CE1 3.91Å; W666-F829 HydrophobicContact CG-CE1 3.91Å; W666-F829 AromaticContact CG-CZ 3.87Å; W666-F829 HydrophobicContact CG-CZ 3.87Å; W666-F829 HydrophobicContact CZ3-CZ 4.39Å; I819-F829 HydrophobicContact CB-CD2 4.06Å; I819-F829 HydrophobicContact CB-CE2 4.28Å; I819-F829 HydrophobicContact CG2-CD2 4.09Å; I819-F829 HydrophobicContact CG2-CE2 3.78Å; L825-F829 HydrophobicContact CB-CD2 4.27Å; L825-F829 HydrophobicContact CB-CE2 4.48Å; L825-F829 HydrophobicContact CD2-CE2 4.4Å; L825-F829 VanDerWaalsContact O-CD2 3.24Å; L825-F829 WeakPolarHBondContact O-CD2 3.48Å; L825-F829 PolarHBondContact O-N 3.01Å; F829-I831 HydrophobicContact CB-CD1 3.79Å; F829-I831 HydrophobicContact CB-CG1 3.85Å
830	Q	92.7	Very high	92.6	Very high	101 Å²	101	65.7 Å²	65.7	47%	0.472	34%	0.34	S	S	.	.	T	Hydrogen-bonded Turn	trans	52	55.1	-175.8	-59.4	-174.2	-20.5	0	0	112.1	I660 T766 G826 T827 I828	I660-Q830 HydrophobicContact CD1-CB 4.11Å; I660-Q830 HydrophobicContact CD1-CG 4.13Å; T766-Q830 VanDerWaalsContact CB-O 3.29Å; T766-Q830 WeakPolarHBondContact CB-O 3.37Å; T766-Q830 HydrophobicContact CG2-CB 4.01Å; T766-Q830 WeakPolarHBondContact CG2-O 3.46Å; G826-Q830 WeakPolarHBondContact O-CA 3.33Å; G826-Q830 PolarHBondContact O-N 2.76Å; T827-Q830 PolarHBondContact O-N 3.47Å; I828-Q830 VanDerWaalsContact C-N 3.33Å
831	I	93.2	Very high	92.6	Very high	6 Å²	6	65.9 Å²	65.9	3%	0.031	34%	0.342	C	S	.	.			trans	-137.5	151.6	179.5	56.2	-178.3	0	0	0	111.3	N769 A770 L773 I819 L820 G826 F829	N769-I831 HydrophobicContact CB-CG2 4.47Å; A770-I831 HydrophobicContact CB-CB 3.98Å; A770-I831 HydrophobicContact CB-CG2 4.13Å; L773-I831 HydrophobicContact CD2-CD1 4.09Å; L773-I831 HydrophobicContact CD2-CG2 4.07Å; I819-I831 HydrophobicContact CB-CD1 4.27Å; I819-I831 HydrophobicContact CD1-CD1 3.96Å; I819-I831 HydrophobicContact CG1-CD1 3.97Å; L820-I831 HydrophobicContact CD2-CB 4.25Å; L820-I831 HydrophobicContact CD2-CD1 3.93Å; L820-I831 HydrophobicContact CD2-CG1 4.28Å; L820-I831 HydrophobicContact CG-CD1 4.27Å; G826-I831 CarbonylContact C-O 3.5Å; G826-I831 WeakPolarHBondContact CA-O 3.37Å; G826-I831 PolarHBondContact O-N 2.89Å; F829-I831 HydrophobicContact CB-CD1 3.79Å; F829-I831 HydrophobicContact CB-CG1 3.85Å
832	Q	90.4	Very high	92.6	Very high	82 Å²	82	60.1 Å²	60.1	38%	0.383	32%	0.32	S	S	.	.			trans	-118.1	154.4	175.1	-82.6	-175.2	31.2	0	0	112.4	T766 H767 A770 L820 L834	T766-Q832 WeakPolarHBondContact OG1-CG 3.22Å; T766-Q832 PolarHBondContact OG1-NE2 2.91Å; H767-Q832 PolarHBondContact CE1-OE1 3.19Å; H767-Q832 PolarHBondContact ND1-OE1 2.85Å; A770-Q832 VanDerWaalsContact CB-O 3.28Å; A770-Q832 WeakPolarHBondContact CB-O 3.5Å; L820-Q832 VanDerWaalsContact CD2-O 3.3Å; L820-Q832 WeakPolarHBondContact CD2-O 3.43Å; Q832-L834 PolarHBondContact O-N 2.81Å
833	P	93.4	Very high	92.6	Very high	59 Å²	59	60.6 Å²	60.6	38%	0.383	32%	0.32	S	S	.	.	P	Polyproline II helix	trans	-65.6	129.4	178.9	23.9	-31.8	0	0	0	111.8	Y821	Y821-P833 HydrophobicContact CD1-CB 3.62Å; Y821-P833 HydrophobicContact CE1-CB 3.46Å; Y821-P833 VanDerWaalsContact CE1-CB 3.46Å
834	L	92.8	Very high	92.7	Very high	8 Å²	8	58.1 Å²	58.1	4%	0.042	30%	0.303	C	S	.	.	P	Polyproline II helix	trans	-81	144.5	-179.8	-62.3	176.1	0	0	0	112.6	A770 M771 S774 Y821 Q832 E838 V842	A770-L834 HydrophobicContact CB-CD2 3.93Å; A770-L834 HydrophobicContact CB-CG 4.32Å; M771-L834 HydrophobicContact CG-CD2 3.88Å; M771-L834 HydrophobicContact SD-CD1 4.04Å; M771-L834 HydrophobicContact SD-CD2 3.72Å; S774-L834 WeakPolarHBondContact OG-CD1 3.42Å; Y821-L834 PolarHBondContact OH-O 2.81Å; Q832-L834 PolarHBondContact O-N 2.81Å; L834-E838 HydrophobicContact CB-CB 4.12Å; L834-E838 HydrophobicContact CD2-CB 4.17Å; L834-V842 HydrophobicContact CD1-CG2 4.27Å
835	S	92.7	Very high	92.7	Very high	44 Å²	44	53 Å²	53	31%	0.308	28%	0.277	S	S	.	.	P	Polyproline II helix	trans	-72.6	167.4	169.4	67.8	0	0	0	0	112.4	Y731 T837 E838 W839	Y731-S835 PolarHBondContact OH-OG 2.93Å; S835-T837 VanDerWaalsContact C-N 3.32Å; S835-T837 PolarHBondContact O-N 3.43Å; S835-T837 PolarHBondContact OG-OG1 3.25Å; S835-T837 VanDerWaalsContact OG-OG1 3.05Å; S835-E838 VanDerWaalsContact CB-OE2 3.29Å; S835-E838 WeakPolarHBondContact CB-OE2 3.39Å; S835-E838 PolarHBondContact N-OE2 3.32Å; S835-E838 PolarHBondContact O-N 3.47Å; S835-E838 WeakPolarHBondContact OG-CB 3.23Å; S835-E838 VanDerWaalsContact OG-CD 3.27Å; S835-E838 VanDerWaalsContact OG-CG 3.31Å; S835-E838 WeakPolarHBondContact OG-CG 3.32Å; S835-E838 PolarHBondContact OG-N 3.44Å; S835-E838 PolarHBondContact OG-OE2 3.12Å; S835-W839 PolarHBondContact O-N 2.7Å
836	F	91.3	Very high	92.8	Very high	163 Å²	163	50.7 Å²	50.7	72%	0.715	26%	0.264	S	S	*	.	H	α-helix	trans	-64.9	-36.2	178.6	-177.7	-98.9	0	0	0	112.8	W839 M840	F836-W839 PolarHBondContact O-N 3.36Å; F836-M840 HydrophobicContact CE1-CE 4.13Å; F836-M840 HydrophobicContact CZ-CE 3.93Å; F836-M840 PolarHBondContact O-N 3.28Å
837	T	92	Very high	92.9	Very high	80 Å²	80	54.5 Å²	54.5	49%	0.491	28%	0.283	S	S	.	.	H	α-helix	trans	-64.9	-42.7	176.5	30.6	0	0	0	0	111.6	Y731 S835 M840 A841	Y731-T837 PolarHBondContact OH-OG1 2.92Å; S835-T837 VanDerWaalsContact C-N 3.32Å; S835-T837 PolarHBondContact O-N 3.43Å; S835-T837 PolarHBondContact OG-OG1 3.25Å; S835-T837 VanDerWaalsContact OG-OG1 3.05Å; T837-M840 WeakPolarHBondContact O-CB 3.46Å; T837-M840 PolarHBondContact O-N 2.9Å; T837-A841 PolarHBondContact O-N 3.21Å; T837-A841 VanDerWaalsContact O-N 3.12Å
838	E	92.7	Very high	93.1	Very high	5 Å²	5	50.4 Å²	50.4	2%	0.023	26%	0.258	C	S	.	.	H	α-helix	trans	-63.1	-46.8	174	-76.6	166.5	141.3	0	0	111.7	W727 Y731 H767 M771 L834 S835 M840 A841 V842	W727-E838 PolarHBondContact NE1-OE1 3.3Å; W727-E838 VanDerWaalsContact NE1-OE1 3.08Å; Y731-E838 HydrophobicContact CE1-CG 4Å; Y731-E838 HydrophobicContact CE2-CG 4.3Å; H767-E838 IonicContact CD2-OE1 3.52Å; H767-E838 PolarHBondContact CD2-OE1 3.03Å; M771-E838 HydrophobicContact SD-CB 3.6Å; M771-E838 VanDerWaalsContact SD-CB 3.6Å; M771-E838 HydrophobicContact SD-CG 3.92Å; L834-E838 HydrophobicContact CB-CB 4.12Å; L834-E838 HydrophobicContact CD2-CB 4.17Å; S835-E838 VanDerWaalsContact CB-OE2 3.29Å; S835-E838 WeakPolarHBondContact CB-OE2 3.39Å; S835-E838 PolarHBondContact N-OE2 3.32Å; S835-E838 PolarHBondContact O-N 3.47Å; S835-E838 WeakPolarHBondContact OG-CB 3.23Å; S835-E838 VanDerWaalsContact OG-CD 3.27Å; S835-E838 VanDerWaalsContact OG-CG 3.31Å; S835-E838 WeakPolarHBondContact OG-CG 3.32Å; S835-E838 PolarHBondContact OG-N 3.44Å; S835-E838 PolarHBondContact OG-OE2 3.12Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.99Å; E838-A841 WeakPolarHBondContact O-CA 3.48Å; E838-A841 WeakPolarHBondContact O-CB 3.37Å; E838-A841 PolarHBondContact O-N 2.95Å; E838-V842 WeakPolarHBondContact O-CG2 3.26Å; E838-V842 PolarHBondContact O-N 3.47Å
839	W	94	Very high	93	Very high	29 Å²	29	45.7 Å²	45.7	11%	0.11	23%	0.233	C	C	.	.	H	α-helix	trans	-59.2	-36.9	174.6	-92.4	110.8	0	0	0	113.4	M813 H816 F817 L820 S835 F836 A841 V842 L843	M813-W839 HydrophobicContact CE-CH2 4.13Å; M813-W839 HydrophobicContact CE-CZ3 4.32Å; H816-W839 AromaticContact CD2-CH2 3.91Å; F817-W839 AromaticContact CD1-CZ2 4Å; F817-W839 HydrophobicContact CD1-CZ2 4Å; F817-W839 AromaticContact CE1-CE2 3.72Å; F817-W839 AromaticContact CE1-CH2 3.94Å; F817-W839 HydrophobicContact CE1-CH2 3.94Å; F817-W839 AromaticContact CE1-CZ2 3.31Å; F817-W839 HydrophobicContact CE1-CZ2 3.31Å; F817-W839 HydrophobicContact CZ-CH2 4.23Å; F817-W839 HydrophobicContact CZ-CZ2 4.03Å; L820-W839 HydrophobicContact CD1-CZ2 3.93Å; S835-W839 PolarHBondContact O-N 2.7Å; F836-W839 PolarHBondContact O-N 3.36Å; W839-A841 VanDerWaalsContact C-N 3.31Å; W839-A841 PolarHBondContact O-N 3.46Å; W839-V842 HydrophobicContact CE3-CB 4.15Å; W839-V842 HydrophobicContact CE3-CG1 4.05Å; W839-V842 HydrophobicContact CZ3-CG1 3.93Å; W839-V842 WeakPolarHBondContact O-CB 3.48Å; W839-V842 PolarHBondContact O-N 2.89Å; W839-L843 WeakPolarHBondContact O-CG 3.37Å; W839-L843 PolarHBondContact O-N 3.43Å
840	M	93.8	Very high	92.9	Very high	79 Å²	79	47.1 Å²	47.1	39%	0.389	24%	0.241	S	C	.	.	H	α-helix	trans	-64.7	-37.1	174.6	-171	61.8	62.3	0	0	111.5	F836 T837 E838 K844	F836-M840 HydrophobicContact CE1-CE 4.13Å; F836-M840 HydrophobicContact CZ-CE 3.93Å; F836-M840 PolarHBondContact O-N 3.28Å; T837-M840 WeakPolarHBondContact O-CB 3.46Å; T837-M840 PolarHBondContact O-N 2.9Å; E838-M840 VanDerWaalsContact C-N 3.28Å; E838-M840 PolarHBondContact O-N 2.99Å; M840-K844 WeakPolarHBondContact O-CB 3.23Å; M840-K844 VanDerWaalsContact O-CG 3.3Å; M840-K844 WeakPolarHBondContact O-CG 3.29Å; M840-K844 PolarHBondContact O-N 3.35Å; M840-K844 VanDerWaalsContact O-N 3.07Å
841	A	92.1	Very high	92.8	Very high	7 Å²	7	44 Å²	44	6%	0.058	23%	0.228	C	C	.	.	H	α-helix	trans	-66.6	-43.4	173.4	0	0	0	0	0	111.6	W726 M771 T837 E838 W839 L843 K844 I845	W726-A841 HydrophobicContact CE3-CB 4.29Å; W726-A841 HydrophobicContact CH2-CB 3.54Å; W726-A841 HydrophobicContact CZ2-CB 3.98Å; W726-A841 HydrophobicContact CZ3-CB 3.73Å; M771-A841 HydrophobicContact CE-CB 4.24Å; T837-A841 PolarHBondContact O-N 3.21Å; T837-A841 VanDerWaalsContact O-N 3.12Å; E838-A841 WeakPolarHBondContact O-CA 3.48Å; E838-A841 WeakPolarHBondContact O-CB 3.37Å; E838-A841 PolarHBondContact O-N 2.95Å; W839-A841 VanDerWaalsContact C-N 3.31Å; W839-A841 PolarHBondContact O-N 3.46Å; A841-L843 PolarHBondContact O-N 2.89Å; A841-K844 PolarHBondContact O-N 3.44Å; A841-I845 PolarHBondContact O-N 2.8Å
842	V	94.6	Very high	92.7	Very high	0 Å²	0	46.2 Å²	46.2	0%	0	24%	0.239	C	C	.	.	H	α-helix	trans	-54.6	-50.4	174.2	172.2	0	0	0	0	110.7	M771 V775 T778 L834 E838 W839 K844 I845 S846	M771-V842 HydrophobicContact CE-CG2 3.78Å; M771-V842 HydrophobicContact SD-CG2 3.88Å; V775-V842 HydrophobicContact CG2-CB 4.25Å; V775-V842 HydrophobicContact CG2-CG1 4.04Å; V775-V842 HydrophobicContact CG2-CG2 4.08Å; T778-V842 WeakPolarHBondContact OG1-CG1 3.39Å; L834-V842 HydrophobicContact CD1-CG2 4.27Å; E838-V842 WeakPolarHBondContact O-CG2 3.26Å; E838-V842 PolarHBondContact O-N 3.47Å; W839-V842 HydrophobicContact CE3-CB 4.15Å; W839-V842 HydrophobicContact CE3-CG1 4.05Å; W839-V842 HydrophobicContact CZ3-CG1 3.93Å; W839-V842 WeakPolarHBondContact O-CB 3.48Å; W839-V842 PolarHBondContact O-N 2.89Å; V842-K844 PolarHBondContact O-N 2.94Å; V842-I845 PolarHBondContact O-N 2.85Å; V842-S846 VanDerWaalsContact O-CB 3.26Å; V842-S846 WeakPolarHBondContact O-CB 3.5Å; V842-S846 PolarHBondContact O-N 3.35Å; V842-S846 PolarHBondContact O-OG 3.09Å
843	L	93.8	Very high	92.6	Very high	74 Å²	74	42.3 Å²	42.3	39%	0.387	22%	0.221	S	C	.	.	H	α-helix	trans	-63.5	-41.5	179.7	-72.2	172.2	0	0	0	112.6	T778 W839 A841 I845 S846 L847	T778-L843 HydrophobicContact CG2-CD2 4.16Å; W839-L843 WeakPolarHBondContact O-CG 3.37Å; W839-L843 PolarHBondContact O-N 3.43Å; A841-L843 PolarHBondContact O-N 2.89Å; L843-I845 PolarHBondContact O-N 2.88Å; L843-S846 PolarHBondContact O-N 3.44Å; L843-L847 WeakPolarHBondContact O-CB 3.23Å; L843-L847 WeakPolarHBondContact O-CG 3.34Å; L843-L847 PolarHBondContact O-N 3.18Å
844	K	93	Very high	92.4	Very high	79 Å²	79	40 Å²	40	34%	0.343	21%	0.205	S	C	.	.	H	α-helix	trans	-63.8	-39.6	178.5	-77.5	-178.4	-178.2	-169.8	0	112.5	M840 A841 V842 P848 A896	M840-K844 WeakPolarHBondContact O-CB 3.23Å; M840-K844 VanDerWaalsContact O-CG 3.3Å; M840-K844 WeakPolarHBondContact O-CG 3.29Å; M840-K844 PolarHBondContact O-N 3.35Å; M840-K844 VanDerWaalsContact O-N 3.07Å; A841-K844 PolarHBondContact O-N 3.44Å; V842-K844 PolarHBondContact O-N 2.94Å; K844-P848 VanDerWaalsContact O-CD 3.29Å; K844-P848 WeakPolarHBondContact O-CD 3.39Å; K844-A896 PolarHBondContact NZ-O 3.44Å
845	I	93.3	Very high	92.3	Very high	19 Å²	19	41.4 Å²	41.4	10%	0.097	21%	0.214	C	C	.	.	H	α-helix	trans	-73.6	-31.2	175.8	-78.2	176.2	0	0	0	111.3	Y715 A719 V775 A841 V842 L843 L902	Y715-I845 PolarHBondContact OH-O 2.9Å; A719-I845 HydrophobicContact CB-CG2 3.63Å; V775-I845 HydrophobicContact CG1-CG2 3.74Å; V775-I845 HydrophobicContact CG2-CG2 4.11Å; A841-I845 PolarHBondContact O-N 2.8Å; V842-I845 PolarHBondContact O-N 2.85Å; L843-I845 PolarHBondContact O-N 2.88Å; I845-L902 HydrophobicContact CD1-CD2 4.23Å; I845-L902 HydrophobicContact CG1-CD2 4.25Å
846	S	94.4	Very high	92.1	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-86.9	-40.6	-172.2	-54.1	0	0	0	0	113.8	T778 V842 L843 V849	T778-S846 VanDerWaalsContact CG2-CB 3.47Å; V842-S846 VanDerWaalsContact O-CB 3.26Å; V842-S846 WeakPolarHBondContact O-CB 3.5Å; V842-S846 PolarHBondContact O-N 3.35Å; V842-S846 PolarHBondContact O-OG 3.09Å; L843-S846 PolarHBondContact O-N 3.44Å; S846-V849 VanDerWaalsContact O-CG1 3.24Å; S846-V849 WeakPolarHBondContact O-CG1 3.39Å; S846-V849 PolarHBondContact O-N 3.27Å
847	L	93.4	Very high	91.9	Very high	87 Å²	87	32.5 Å²	32.5	46%	0.455	17%	0.17	S	C	.	.	T	Hydrogen-bonded Turn	trans	-54.3	-36.2	-175.8	-82.1	167.5	0	0	0	116.4	L782 L843 V849 I850	L782-L847 HydrophobicContact CD1-CD2 4.25Å; L843-L847 WeakPolarHBondContact O-CB 3.23Å; L843-L847 WeakPolarHBondContact O-CG 3.34Å; L843-L847 PolarHBondContact O-N 3.18Å; L847-V849 PolarHBondContact O-N 2.62Å; L847-I850 PolarHBondContact O-N 3.41Å
848	P	94.2	Very high	91.7	Very high	24 Å²	24	30.1 Å²	30.1	16%	0.156	15%	0.153	C	C	.	.	H	α-helix	trans	-61.2	-17.5	-178.6	-22.2	32	0	0	0	114.5	Y715 K844 I850 I851 I852 M893	Y715-P848 WeakPolarHBondContact OH-CB 3.39Å; Y715-P848 WeakPolarHBondContact OH-CG 3.37Å; K844-P848 VanDerWaalsContact O-CD 3.29Å; K844-P848 WeakPolarHBondContact O-CD 3.39Å; P848-I850 PolarHBondContact O-N 3.47Å; P848-I851 WeakPolarHBondContact O-CB 3.48Å; P848-I851 PolarHBondContact O-N 3.31Å; P848-I852 WeakPolarHBondContact O-CG1 3.43Å; P848-I852 PolarHBondContact O-N 3.14Å; P848-M893 HydrophobicContact CG-CE 4.18Å
849	V	92.1	Very high	91.4	Very high	0 Å²	0	31.8 Å²	31.8	0%	0	16%	0.162	C	C	.	.	H	α-helix	trans	-57.7	-35.4	176.3	75.8	0	0	0	0	112.6	I712 Y715 I779 L782 S846 L847 I851 I852 D853	I712-V849 HydrophobicContact CG2-CG2 4.05Å; Y715-V849 HydrophobicContact CD1-CB 4.23Å; Y715-V849 HydrophobicContact CD1-CG2 4.25Å; Y715-V849 HydrophobicContact CE1-CB 3.99Å; I779-V849 HydrophobicContact CG2-CB 4.21Å; I779-V849 HydrophobicContact CG2-CG1 4.22Å; I779-V849 HydrophobicContact CG2-CG2 3.98Å; L782-V849 HydrophobicContact CB-CG1 3.65Å; L782-V849 HydrophobicContact CD1-CG1 4.02Å; S846-V849 VanDerWaalsContact O-CG1 3.24Å; S846-V849 WeakPolarHBondContact O-CG1 3.39Å; S846-V849 PolarHBondContact O-N 3.27Å; L847-V849 PolarHBondContact O-N 2.62Å; V849-I851 VanDerWaalsContact C-N 3.33Å; V849-I851 PolarHBondContact O-N 3.27Å; V849-I852 PolarHBondContact O-N 2.76Å; V849-D853 WeakPolarHBondContact O-CB 3.33Å; V849-D853 PolarHBondContact O-N 2.76Å
850	I	91.4	Very high	91	Very high	44 Å²	44	30.5 Å²	30.5	23%	0.226	16%	0.157	C	C	.	.	H	α-helix	trans	-62.5	-44.4	175.2	-67.2	-176.9	0	0	0	110.1	L782 L794 L847 P848 D853 E854	L782-I850 HydrophobicContact CB-CD1 4.15Å; L782-I850 HydrophobicContact CB-CG1 3.98Å; L782-I850 HydrophobicContact CD2-CD1 3.67Å; L782-I850 HydrophobicContact CD2-CG1 4.41Å; L782-I850 HydrophobicContact CG-CD1 4.33Å; L794-I850 HydrophobicContact CD1-CG2 3.94Å; L847-I850 PolarHBondContact O-N 3.41Å; P848-I850 PolarHBondContact O-N 3.47Å; I850-D853 PolarHBondContact O-N 3.16Å; I850-E854 WeakPolarHBondContact O-CB 3.19Å; I850-E854 PolarHBondContact O-N 3.01Å
851	I	89.4	Confident	90.4	Very high	36 Å²	36	28.8 Å²	28.8	19%	0.185	15%	0.146	C	C	.	.	H	α-helix	trans	-67.4	-42.8	-177.4	-54.8	172.5	0	0	0	110.3	P848 V849 E854 T855 W886 L889	P848-I851 WeakPolarHBondContact O-CB 3.48Å; P848-I851 PolarHBondContact O-N 3.31Å; V849-I851 VanDerWaalsContact C-N 3.33Å; V849-I851 PolarHBondContact O-N 3.27Å; I851-E854 PolarHBondContact O-N 2.9Å; I851-T855 WeakPolarHBondContact O-CB 3.45Å; I851-T855 PolarHBondContact O-N 2.9Å; I851-T855 PolarHBondContact O-OG1 3.27Å; I851-W886 HydrophobicContact CG2-CZ2 4.25Å; I851-L889 HydrophobicContact CD1-CB 4.22Å; I851-L889 HydrophobicContact CD1-CD1 3.77Å; I851-L889 HydrophobicContact CD1-CD2 4.06Å; I851-L889 HydrophobicContact CD1-CG 4.22Å; I851-L889 HydrophobicContact CG1-CD1 4.16Å
852	I	91.1	Very high	89.8	Confident	51 Å²	51	31 Å²	31	26%	0.262	16%	0.157	S	C	.	.	H	α-helix	trans	-59	-53.1	177.7	-66.5	167.3	0	0	0	109.3	Y715 P848 V849 E854 T855 L856	Y715-I852 HydrophobicContact CD1-CD1 4.13Å; Y715-I852 HydrophobicContact CD2-CD1 3.43Å; Y715-I852 VanDerWaalsContact CD2-CD1 3.43Å; Y715-I852 HydrophobicContact CE1-CD1 4.31Å; Y715-I852 HydrophobicContact CE2-CD1 3.61Å; Y715-I852 HydrophobicContact CG-CD1 3.69Å; P848-I852 WeakPolarHBondContact O-CG1 3.43Å; P848-I852 PolarHBondContact O-N 3.14Å; V849-I852 PolarHBondContact O-N 2.76Å; I852-E854 PolarHBondContact O-N 3.37Å; I852-T855 WeakPolarHBondContact O-CB 3.5Å; I852-T855 PolarHBondContact O-N 3.31Å; I852-L856 HydrophobicContact CG2-CD1 4.06Å; I852-L856 WeakPolarHBondContact O-CG 3.39Å; I852-L856 PolarHBondContact O-N 3Å
853	D	89.7	Confident	89.2	Confident	1 Å²	1	40.7 Å²	40.7	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-65	-39.8	-178.1	-168.6	63.3	0	0	0	112.5	R708 I712 N786 V849 I850 T855 L856 K857	R708-D853 IonicContact CZ-OD1 3.61Å; R708-D853 IonicContact CZ-OD2 2.69Å; R708-D853 IonicContact NE-OD1 2.82Å; R708-D853 PolarHBondContact NE-OD1 2.89Å; R708-D853 IonicContact NH2-OD1 2.73Å; R708-D853 PolarHBondContact NH2-OD1 3.1Å; R708-D853 IonicContact NH2-OD2 3.12Å; R708-D853 PolarHBondContact NH2-OD2 3.45Å; I712-D853 HydrophobicContact CD1-CB 4.24Å; I712-D853 WeakPolarHBondContact CD1-OD1 3.23Å; N786-D853 HydrophobicContact CB-CB 4.2Å; N786-D853 VanDerWaalsContact CB-OD2 3.27Å; N786-D853 WeakPolarHBondContact CB-OD2 3.06Å; N786-D853 VanDerWaalsContact ND2-CB 3.26Å; N786-D853 WeakPolarHBondContact ND2-CB 3.26Å; V849-D853 WeakPolarHBondContact O-CB 3.33Å; V849-D853 PolarHBondContact O-N 2.76Å; I850-D853 PolarHBondContact O-N 3.16Å; D853-T855 VanDerWaalsContact C-N 3.27Å; D853-T855 PolarHBondContact O-N 2.71Å; D853-L856 CarbonylContact O-C 3.09Å; D853-L856 PolarHBondContact O-N 2.87Å; D853-L856 VanDerWaalsContact O-N 3.1Å; D853-K857 WeakPolarHBondContact O-CG 3.42Å; D853-K857 PolarHBondContact O-N 3.46Å; D853-K857 WeakPolarHBondContact OD2-CE 3.19Å; D853-K857 IonicContact OD2-NZ 2.78Å
854	E	89.6	Confident	88.3	Confident	10 Å²	10	40.9 Å²	40.9	5%	0.047	19%	0.194	C	C	.	.	H	α-helix	trans	-66.5	-32.5	179.2	-158.7	73.2	154	0	0	112.3	S793 L794 I850 I851 I852 K857 F858 F882	S793-E854 WeakPolarHBondContact CA-OE1 3.32Å; S793-E854 WeakPolarHBondContact CB-OE1 3.44Å; S793-E854 PolarHBondContact OG-OE1 3.37Å; L794-E854 PolarHBondContact N-OE1 3.22Å; I850-E854 WeakPolarHBondContact O-CB 3.19Å; I850-E854 PolarHBondContact O-N 3.01Å; I851-E854 PolarHBondContact O-N 2.9Å; I852-E854 PolarHBondContact O-N 3.37Å; E854-K857 VanDerWaalsContact OE2-CD 3.28Å; E854-K857 WeakPolarHBondContact OE2-CD 3.45Å; E854-K857 IonicContact OE2-NZ 3.94Å; E854-F858 WeakPolarHBondContact O-CB 3.45Å; E854-F858 PolarHBondContact O-N 3.48Å; E854-F882 HydrophobicContact CG-CE2 4.28Å
855	T	89.6	Confident	86.9	Confident	37 Å²	37	41.9 Å²	41.9	23%	0.227	20%	0.2	C	C	.	.	H	α-helix	trans	-66.9	-43.6	170.8	-53.1	0	0	0	0	111.2	I851 I852 D853 K857 F858 I859 F882	I851-T855 WeakPolarHBondContact O-CB 3.45Å; I851-T855 PolarHBondContact O-N 2.9Å; I851-T855 PolarHBondContact O-OG1 3.27Å; I852-T855 WeakPolarHBondContact O-CB 3.5Å; I852-T855 PolarHBondContact O-N 3.31Å; D853-T855 VanDerWaalsContact C-N 3.27Å; D853-T855 PolarHBondContact O-N 2.71Å; T855-K857 PolarHBondContact O-N 3.29Å; T855-F858 PolarHBondContact O-N 2.77Å; T855-I859 HydrophobicContact CG2-CD1 4.25Å; T855-I859 WeakPolarHBondContact O-CG1 3.42Å; T855-I859 PolarHBondContact O-N 3.27Å; T855-F882 HydrophobicContact CG2-CZ 4.42Å
856	L	89.7	Confident	84.7	Confident	19 Å²	19	44 Å²	44	10%	0.099	23%	0.227	C	C	.	.	H	α-helix	trans	-64.9	-39.2	177.1	-66.7	170.7	0	0	0	111.8	W704 R708 A711 I712 I852 D853 I859 A860	W704-L856 HydrophobicContact CH2-CD2 4.37Å; W704-L856 HydrophobicContact CZ2-CD2 4.42Å; R708-L856 HydrophobicContact CB-CD1 4.38Å; R708-L856 HydrophobicContact CG-CB 4.16Å; R708-L856 HydrophobicContact CG-CD1 3.84Å; A711-L856 HydrophobicContact CB-CD1 4.2Å; I712-L856 HydrophobicContact CG1-CD1 4.42Å; I852-L856 HydrophobicContact CG2-CD1 4.06Å; I852-L856 WeakPolarHBondContact O-CG 3.39Å; I852-L856 PolarHBondContact O-N 3Å; D853-L856 CarbonylContact O-C 3.09Å; D853-L856 PolarHBondContact O-N 2.87Å; D853-L856 VanDerWaalsContact O-N 3.1Å; L856-I859 PolarHBondContact O-N 3.23Å; L856-A860 WeakPolarHBondContact O-CB 2.84Å; L856-A860 PolarHBondContact O-N 3.32Å
857	K	87	Confident	82.2	Confident	1 Å²	1	50.7 Å²	50.7	0%	0.004	26%	0.263	C	S	.	.	H	α-helix	trans	-63	-44.4	171.9	-74.7	174.9	170.1	-178	0	112	N786 S789 Q792 D853 E854 T855 I859 A860 R861	N786-K857 WeakPolarHBondContact O-CE 3.32Å; N786-K857 PolarHBondContact O-NZ 2.84Å; S789-K857 WeakPolarHBondContact O-CE 3.41Å; S789-K857 PolarHBondContact O-NZ 3.19Å; Q792-K857 PolarHBondContact O-NZ 2.98Å; Q792-K857 VanDerWaalsContact O-NZ 3.12Å; D853-K857 WeakPolarHBondContact O-CG 3.42Å; D853-K857 PolarHBondContact O-N 3.46Å; D853-K857 WeakPolarHBondContact OD2-CE 3.19Å; D853-K857 IonicContact OD2-NZ 2.78Å; E854-K857 VanDerWaalsContact OE2-CD 3.28Å; E854-K857 WeakPolarHBondContact OE2-CD 3.45Å; E854-K857 IonicContact OE2-NZ 3.94Å; T855-K857 PolarHBondContact O-N 3.29Å; K857-I859 VanDerWaalsContact C-N 3.31Å; K857-I859 PolarHBondContact O-N 2.96Å; K857-A860 WeakPolarHBondContact O-CB 3.41Å; K857-A860 PolarHBondContact O-N 3.19Å; K857-R861 WeakPolarHBondContact O-CG 3.41Å; K857-R861 PolarHBondContact O-N 3.27Å
858	F	86.2	Confident	79.7	Confident	30 Å²	30	56.7 Å²	56.7	13%	0.132	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-40.7	177.4	-178.2	-94	0	0	0	112.1	E854 T855 N862 F882	E854-F858 WeakPolarHBondContact O-CB 3.45Å; E854-F858 PolarHBondContact O-N 3.48Å; T855-F858 PolarHBondContact O-N 2.77Å; F858-N862 WeakPolarHBondContact CD2-ND2 3.18Å; F858-N862 VanDerWaalsContact CE1-ND2 3.31Å; F858-N862 WeakPolarHBondContact CE1-ND2 3.31Å; F858-N862 WeakPolarHBondContact CE2-ND2 3.2Å; F858-N862 WeakPolarHBondContact CZ-ND2 3.44Å; F858-N862 WeakPolarHBondContact O-CB 3.39Å; F858-N862 PolarHBondContact O-N 2.88Å; F858-N862 PolarHBondContact O-ND2 2.74Å; F858-F882 HydrophobicContact CB-CE2 3.95Å; F858-F882 HydrophobicContact CB-CZ 4.27Å; F858-F882 HydrophobicContact CD2-CD2 4.24Å; F858-F882 HydrophobicContact CD2-CE2 4.4Å; F858-F882 HydrophobicContact CG-CD2 4.44Å; F858-F882 HydrophobicContact CG-CE2 4.22Å
859	I	87.6	Confident	77	Confident	41 Å²	41	59.9 Å²	59.9	21%	0.21	31%	0.308	C	S	.	.	H	α-helix	trans	-63.2	-44.9	173.6	-69.4	165.4	0	0	0	110.7	W704 T855 L856 K857 R861 N862 W863 I864	W704-I859 HydrophobicContact CH2-CB 4.48Å; W704-I859 HydrophobicContact CH2-CG2 3.72Å; W704-I859 HydrophobicContact CZ2-CB 4.3Å; W704-I859 HydrophobicContact CZ2-CG2 3.86Å; T855-I859 HydrophobicContact CG2-CD1 4.25Å; T855-I859 WeakPolarHBondContact O-CG1 3.42Å; T855-I859 PolarHBondContact O-N 3.27Å; L856-I859 PolarHBondContact O-N 3.23Å; K857-I859 VanDerWaalsContact C-N 3.31Å; K857-I859 PolarHBondContact O-N 2.96Å; I859-R861 PolarHBondContact O-N 3.18Å; I859-N862 PolarHBondContact O-N 3.27Å; I859-W863 HydrophobicContact CG1-CE3 4.28Å; I859-W863 HydrophobicContact CG1-CZ3 4.21Å; I859-W863 HydrophobicContact CG2-CE3 3.9Å; I859-W863 PolarHBondContact O-N 3.28Å; I859-I864 HydrophobicContact CG2-CD1 4.36Å
860	A	84.4	Confident	74.5	Confident	1 Å²	1	67.5 Å²	67.5	1%	0.008	34%	0.343	C	S	.	.	I	π-helix	trans	-57.4	-50.8	179.3	0	0	0	0	0	111.7	L856 K857 N862 I864 E865	L856-A860 WeakPolarHBondContact O-CB 2.84Å; L856-A860 PolarHBondContact O-N 3.32Å; K857-A860 WeakPolarHBondContact O-CB 3.41Å; K857-A860 PolarHBondContact O-N 3.19Å; A860-N862 VanDerWaalsContact C-N 3.34Å; A860-N862 PolarHBondContact O-N 3.3Å; A860-I864 PolarHBondContact O-N 2.85Å; A860-E865 PolarHBondContact O-N 2.82Å
861	R	81.8	Confident	72	Confident	43 Å²	43	76.8 Å²	76.8	16%	0.162	38%	0.375	C	S	.	.	I	π-helix	trans	-62.3	-37.3	-178.8	-68.8	-164.9	-58.2	-89.6	6.6	113.3	N791 K857 I859 E878	N791-R861 HydrophobicContact CB-CG 4.12Å; N791-R861 VanDerWaalsContact O-CD 3.23Å; N791-R861 WeakPolarHBondContact O-CD 3.44Å; N791-R861 WeakPolarHBondContact O-CG 3.44Å; N791-R861 PolarHBondContact O-NH1 3.03Å; K857-R861 WeakPolarHBondContact O-CG 3.41Å; K857-R861 PolarHBondContact O-N 3.27Å; I859-R861 PolarHBondContact O-N 3.18Å; R861-E878 IonicContact CZ-OE2 3.26Å; R861-E878 IonicContact NE-OE2 2.6Å; R861-E878 IonicContact NH2-OE2 2.65Å; R861-E878 PolarHBondContact NH2-OE2 3.16Å; R861-E878 VanDerWaalsContact NH2-OE2 3.09Å
862	N	80.2	Confident	69.9	Low	53 Å²	53	77.6 Å²	77.6	28%	0.283	38%	0.384	S	S	.	.	I	π-helix	trans	-95.8	-32.5	-169.8	-71.8	-48.4	0	0	0	114.3	F858 I859 A860	F858-N862 WeakPolarHBondContact CD2-ND2 3.18Å; F858-N862 VanDerWaalsContact CE1-ND2 3.31Å; F858-N862 WeakPolarHBondContact CE1-ND2 3.31Å; F858-N862 WeakPolarHBondContact CE2-ND2 3.2Å; F858-N862 WeakPolarHBondContact CZ-ND2 3.44Å; F858-N862 WeakPolarHBondContact O-CB 3.39Å; F858-N862 PolarHBondContact O-N 2.88Å; F858-N862 PolarHBondContact O-ND2 2.74Å; I859-N862 PolarHBondContact O-N 3.27Å; A860-N862 VanDerWaalsContact C-N 3.34Å; A860-N862 PolarHBondContact O-N 3.3Å
863	W	80.6	Confident	67.7	Low	204 Å²	204	86.4 Å²	86.4	77%	0.773	41%	0.414	S	S	*	.	I	π-helix	trans	-118.3	-22.7	-169.7	-65.8	-20.6	0	0	0	114.4	I859	I859-W863 HydrophobicContact CG1-CE3 4.28Å; I859-W863 HydrophobicContact CG1-CZ3 4.21Å; I859-W863 HydrophobicContact CG2-CE3 3.9Å; I859-W863 PolarHBondContact O-N 3.28Å
864	I	75	Confident	65.7	Low	79 Å²	79	95 Å²	95	41%	0.405	45%	0.447	S	S	.	.	I	π-helix	trans	-104.8	-52.8	-173.5	-59.7	179.1	0	0	0	110.5	W704 I859 A860 G866	W704-I864 HydrophobicContact CB-CD1 4.34Å; W704-I864 HydrophobicContact CD2-CD1 3.04Å; W704-I864 HydrophobicContact CE3-CD1 3.27Å; W704-I864 HydrophobicContact CG-CD1 3.52Å; W704-I864 HydrophobicContact CG-CG2 4.46Å; W704-I864 HydrophobicContact CH2-CD1 3.72Å; W704-I864 HydrophobicContact CZ2-CD1 3.53Å; W704-I864 HydrophobicContact CZ3-CD1 3.6Å; I859-I864 HydrophobicContact CG2-CD1 4.36Å; A860-I864 PolarHBondContact O-N 2.85Å; I864-G866 PolarHBondContact O-N 3.12Å
865	E	65.3	Low	64	Low	100 Å²	100	99.2 Å²	99.2	47%	0.467	47%	0.465	S	S	.	.	S	Bend	trans	-81	76.3	173.5	-68.1	-176.4	169.5	0	0	108.3	N791 A860 N867	N791-E865 PolarHBondContact ND2-OE1 3.38Å; N791-E865 PolarHBondContact ND2-OE2 3.07Å; A860-E865 PolarHBondContact O-N 2.82Å; E865-N867 PolarHBondContact O-N 2.87Å
866	G	46.4	Very low	62.3	Low	64 Å²	64	102.3 Å²	102.3	66%	0.66	48%	0.484	S	S	*	.			trans	-66.2	65.2	177.8	0	0	0	0	0	112.6	I864 K868	I864-G866 PolarHBondContact O-N 3.12Å; G866-K868 PolarHBondContact O-N 2.9Å
867	N	42	Very low	60.8	Low	140 Å²	140	103.3 Å²	103.3	75%	0.749	50%	0.495	S	S	*	.			trans	-85.3	100.2	170.8	-118.9	-7.5	0	0	0	109.3	E865 S869	E865-N867 PolarHBondContact O-N 2.87Å; N867-S869 PolarHBondContact O-N 3.07Å; N867-S869 VanDerWaalsContact O-N 3.08Å
868	K	39.7	Very low	59.3	Low	212 Å²	212	106.3 Å²	106.3	92%	0.922	51%	0.509	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-3.9	-178	-74.3	178.3	176.1	174.1	0	114.6	G866	G866-K868 PolarHBondContact O-N 2.9Å
869	S	37.5	Very low	57.8	Low	91 Å²	91	107.1 Å²	107.1	64%	0.636	52%	0.518	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101	-9.5	-166.5	65.5	0	0	0	0	116.9	N867	N867-S869 PolarHBondContact O-N 3.07Å; N867-S869 VanDerWaalsContact O-N 3.08Å
870	H	40.1	Very low	56.4	Low	161 Å²	161	110.8 Å²	110.8	75%	0.745	54%	0.538	S	S	*	.			trans	-136.6	66.7	176.7	-100.7	-69.7	0	0	0	113.1	S872	H870-S872 PolarHBondContact O-N 2.96Å
871	R	39.5	Very low	55.1	Low	238 Å²	238	115.3 Å²	115.3	90%	0.898	56%	0.56	S	S	*	*			trans	-73	73.1	157.6	-132	179.5	-163.1	-179.9	4.6	108.4
872	S	44.7	Very low	54	Low	54 Å²	54	115.1 Å²	115.1	38%	0.378	56%	0.56	S	S	.	*			trans	-80.4	154.7	-177	-178.5	0	0	0	0	111.8	H870 W874 F875	H870-S872 PolarHBondContact O-N 2.96Å; S872-W874 PolarHBondContact O-N 3.47Å; S872-F875 PolarHBondContact O-N 2.81Å; S872-F875 VanDerWaalsContact O-N 3.13Å
873	R	45.1	Very low	52.9	Low	235 Å²	235	115.5 Å²	115.5	89%	0.887	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-52.9	-6.9	-179.7	-74.2	168.9	83.2	175.4	4.7	115.2
874	W	49	Very low	51.9	Low	182 Å²	182	110.1 Å²	110.1	69%	0.689	56%	0.557	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82	-12.8	177.2	-65.3	88.9	0	0	0	114.1	S872 T876 A877 E878	S872-W874 PolarHBondContact O-N 3.47Å; W874-T876 VanDerWaalsContact C-N 3.3Å; W874-T876 PolarHBondContact O-N 3.02Å; W874-A877 HydrophobicContact CE3-CB 4.23Å; W874-A877 CarbonylContact O-C 3.59Å; W874-A877 PolarHBondContact O-N 3.21Å; W874-E878 PolarHBondContact O-N 3.25Å
875	F	53	Low	51.1	Low	98 Å²	98	108.2 Å²	108.2	43%	0.43	55%	0.549	S	S	.	.	H	α-helix	trans	-56.7	-42.3	180	-173.1	-98	0	0	0	112.9	S872 C879	S872-F875 PolarHBondContact O-N 2.81Å; S872-F875 VanDerWaalsContact O-N 3.13Å; F875-C879 WeakPolarHBondContact O-CB 3.47Å; F875-C879 PolarHBondContact O-N 3.12Å
876	T	54.6	Low	50.8	Low	102 Å²	102	109.6 Å²	109.6	63%	0.626	55%	0.55	S	S	*	.	H	α-helix	trans	-70.2	-36.2	175.6	43.7	0	0	0	0	112.3	W874 L880	W874-T876 VanDerWaalsContact C-N 3.3Å; W874-T876 PolarHBondContact O-N 3.02Å; T876-L880 VanDerWaalsContact O-CB 3.3Å; T876-L880 WeakPolarHBondContact O-CB 3.39Å; T876-L880 PolarHBondContact O-N 3Å
877	A	57.1	Low	51.5	Low	40 Å²	40	113.2 Å²	113.2	33%	0.331	55%	0.547	S	S	.	.	H	α-helix	trans	-71.2	-41.4	178.4	0	0	0	0	0	111.8	W874 L880 M881	W874-A877 HydrophobicContact CE3-CB 4.23Å; W874-A877 CarbonylContact O-C 3.59Å; W874-A877 PolarHBondContact O-N 3.21Å; A877-L880 PolarHBondContact O-N 3.38Å; A877-M881 VanDerWaalsContact O-CB 3.22Å; A877-M881 WeakPolarHBondContact O-CB 3.44Å; A877-M881 VanDerWaalsContact O-CG 3.23Å; A877-M881 WeakPolarHBondContact O-CG 3.37Å; A877-M881 PolarHBondContact O-N 2.84Å
878	E	56.1	Low	52.4	Low	64 Å²	64	110.6 Å²	110.6	30%	0.299	54%	0.536	S	S	.	.	H	α-helix	trans	-61.2	-50.8	172.2	-80.8	-160.9	-168.9	0	0	110.1	R861 W874 L880 M881 F882	R861-E878 IonicContact CZ-OE2 3.26Å; R861-E878 IonicContact NE-OE2 2.6Å; R861-E878 IonicContact NH2-OE2 2.65Å; R861-E878 PolarHBondContact NH2-OE2 3.16Å; R861-E878 VanDerWaalsContact NH2-OE2 3.09Å; W874-E878 PolarHBondContact O-N 3.25Å; E878-L880 VanDerWaalsContact C-N 3.34Å; E878-L880 PolarHBondContact O-N 3.14Å; E878-M881 PolarHBondContact O-N 2.97Å; E878-F882 WeakPolarHBondContact O-CB 3.16Å; E878-F882 PolarHBondContact O-N 2.77Å
879	C	54.7	Low	53	Low	48 Å²	48	103.8 Å²	103.8	32%	0.324	51%	0.51	S	S	.	.	H	α-helix	trans	-60.1	-40.7	176.9	-80.7	0	0	0	0	113.1	F875 F882 A883	F875-C879 WeakPolarHBondContact O-CB 3.47Å; F875-C879 PolarHBondContact O-N 3.12Å; C879-F882 PolarHBondContact O-N 2.95Å; C879-A883 WeakPolarHBondContact O-CB 3.23Å; C879-A883 PolarHBondContact O-N 2.59Å
880	L	56.9	Low	53.8	Low	118 Å²	118	102.3 Å²	102.3	62%	0.618	50%	0.497	S	S	*	.	H	α-helix	trans	-68	-42.2	179.5	-141.3	98.8	0	0	0	111.2	T876 A877 E878 A883 L884	T876-L880 VanDerWaalsContact O-CB 3.3Å; T876-L880 WeakPolarHBondContact O-CB 3.39Å; T876-L880 PolarHBondContact O-N 3Å; A877-L880 PolarHBondContact O-N 3.38Å; E878-L880 VanDerWaalsContact C-N 3.34Å; E878-L880 PolarHBondContact O-N 3.14Å; L880-A883 PolarHBondContact O-N 3.38Å; L880-L884 HydrophobicContact CD2-CD1 4.32Å; L880-L884 WeakPolarHBondContact O-CB 3.44Å; L880-L884 PolarHBondContact O-N 2.81Å
881	M	58.4	Low	54.3	Low	96 Å²	96	98.1 Å²	98.1	47%	0.473	48%	0.479	S	S	.	.	H	α-helix	trans	-67.4	-37.2	175.5	-76.2	-69.1	-68.2	0	0	111.8	A877 E878 L884 T885	A877-M881 VanDerWaalsContact O-CB 3.22Å; A877-M881 WeakPolarHBondContact O-CB 3.44Å; A877-M881 VanDerWaalsContact O-CG 3.23Å; A877-M881 WeakPolarHBondContact O-CG 3.37Å; A877-M881 PolarHBondContact O-N 2.84Å; E878-M881 PolarHBondContact O-N 2.97Å; M881-L884 PolarHBondContact O-N 3.15Å; M881-T885 WeakPolarHBondContact O-CB 3.35Å; M881-T885 PolarHBondContact O-N 3.41Å; M881-T885 PolarHBondContact O-OG1 3.33Å
882	F	58	Low	54.9	Low	39 Å²	39	89.1 Å²	89.1	17%	0.171	46%	0.456	C	S	.	.	H	α-helix	trans	-65	-43.6	175.3	-148.4	-88.3	0	0	0	110.8	E854 T855 F858 E878 C879 T885 W886	E854-F882 HydrophobicContact CG-CE2 4.28Å; T855-F882 HydrophobicContact CG2-CZ 4.42Å; F858-F882 HydrophobicContact CB-CE2 3.95Å; F858-F882 HydrophobicContact CB-CZ 4.27Å; F858-F882 HydrophobicContact CD2-CD2 4.24Å; F858-F882 HydrophobicContact CD2-CE2 4.4Å; F858-F882 HydrophobicContact CG-CD2 4.44Å; F858-F882 HydrophobicContact CG-CE2 4.22Å; E878-F882 WeakPolarHBondContact O-CB 3.16Å; E878-F882 PolarHBondContact O-N 2.77Å; C879-F882 PolarHBondContact O-N 2.95Å; F882-T885 WeakPolarHBondContact CA-OG1 3.2Å; F882-T885 PolarHBondContact O-OG1 2.88Å; F882-T885 VanDerWaalsContact O-OG1 3.07Å; F882-W886 AromaticContact CD1-CD1 3.78Å; F882-W886 AromaticContact CE1-CD1 3.6Å; F882-W886 AromaticContact CE1-NE1 3.58Å; F882-W886 WeakPolarHBondContact O-CB 3.39Å; F882-W886 PolarHBondContact O-N 2.87Å
883	A	57.1	Low	55	Low	61 Å²	61	90.5 Å²	90.5	50%	0.504	46%	0.457	S	S	.	.	H	α-helix	trans	-65.1	-41.6	173.1	0	0	0	0	0	111.8	C879 L880 F887	C879-A883 WeakPolarHBondContact O-CB 3.23Å; C879-A883 PolarHBondContact O-N 2.59Å; L880-A883 PolarHBondContact O-N 3.38Å; A883-F887 WeakPolarHBondContact O-CB 3.45Å; A883-F887 PolarHBondContact O-N 2.95Å
884	L	59.8	Low	54.9	Low	91 Å²	91	85.5 Å²	85.5	48%	0.476	45%	0.447	S	S	.	.	H	α-helix	trans	-66.4	-40.1	177.6	-108.9	139.7	0	0	0	112.7	L880 M881 F887 V888	L880-L884 HydrophobicContact CD2-CD1 4.32Å; L880-L884 WeakPolarHBondContact O-CB 3.44Å; L880-L884 PolarHBondContact O-N 2.81Å; M881-L884 PolarHBondContact O-N 3.15Å; L884-F887 PolarHBondContact O-N 3.39Å; L884-V888 HydrophobicContact CD2-CG2 4.44Å; L884-V888 WeakPolarHBondContact O-CB 3.41Å; L884-V888 WeakPolarHBondContact O-CG2 3.43Å; L884-V888 PolarHBondContact O-N 3.37Å
885	T	58	Low	54.7	Low	39 Å²	39	86.5 Å²	86.5	24%	0.239	45%	0.453	C	S	.	.	H	α-helix	trans	-69.8	-44.7	177	37.4	0	0	0	0	111.2	F795 M881 F882 F887 V888 L889	F795-T885 HydrophobicContact CE2-CG2 4.35Å; F795-T885 HydrophobicContact CZ-CG2 3.73Å; M881-T885 WeakPolarHBondContact O-CB 3.35Å; M881-T885 PolarHBondContact O-N 3.41Å; M881-T885 PolarHBondContact O-OG1 3.33Å; F882-T885 WeakPolarHBondContact CA-OG1 3.2Å; F882-T885 PolarHBondContact O-OG1 2.88Å; F882-T885 VanDerWaalsContact O-OG1 3.07Å; T885-F887 VanDerWaalsContact C-N 3.28Å; T885-F887 PolarHBondContact O-N 3.23Å; T885-V888 PolarHBondContact O-N 3.04Å; T885-L889 VanDerWaalsContact O-CB 3.31Å; T885-L889 WeakPolarHBondContact O-CB 3.43Å; T885-L889 PolarHBondContact O-N 2.98Å
886	W	60.2	Low	54.3	Low	128 Å²	128	84 Å²	84	49%	0.485	45%	0.45	S	S	.	.	H	α-helix	trans	-55.8	-45	169.1	-100.4	84	0	0	0	111.4	I851 F882 V890	I851-W886 HydrophobicContact CG2-CZ2 4.25Å; F882-W886 AromaticContact CD1-CD1 3.78Å; F882-W886 AromaticContact CE1-CD1 3.6Å; F882-W886 AromaticContact CE1-NE1 3.58Å; F882-W886 WeakPolarHBondContact O-CB 3.39Å; F882-W886 PolarHBondContact O-N 2.87Å; W886-V890 HydrophobicContact CE3-CG2 3.84Å; W886-V890 HydrophobicContact CZ3-CG2 4.23Å; W886-V890 WeakPolarHBondContact O-CB 3.28Å; W886-V890 WeakPolarHBondContact O-CG2 3.34Å; W886-V890 PolarHBondContact O-N 3.27Å
887	F	60.9	Low	53.5	Low	140 Å²	140	90 Å²	90	61%	0.614	46%	0.461	S	S	*	.	H	α-helix	trans	-66.4	-45	-178.8	-166.4	-101.5	0	0	0	112.5	A883 L884 T885 L891	A883-F887 WeakPolarHBondContact O-CB 3.45Å; A883-F887 PolarHBondContact O-N 2.95Å; L884-F887 PolarHBondContact O-N 3.39Å; T885-F887 VanDerWaalsContact C-N 3.28Å; T885-F887 PolarHBondContact O-N 3.23Å; F887-L891 HydrophobicContact CD1-CD1 3.54Å; F887-L891 HydrophobicContact CE1-CD1 3.29Å; F887-L891 HydrophobicContact CG-CD1 4.38Å; F887-L891 HydrophobicContact CZ-CD1 3.96Å; F887-L891 VanDerWaalsContact O-CB 3.23Å; F887-L891 WeakPolarHBondContact O-CB 3.33Å; F887-L891 PolarHBondContact O-N 3.18Å
888	V	61	Low	52.7	Low	85 Å²	85	91.2 Å²	91.2	52%	0.515	46%	0.462	S	S	.	.	H	α-helix	trans	-69.3	-37.4	179.2	171	0	0	0	0	111.6	L884 T885 L891 A892	L884-V888 HydrophobicContact CD2-CG2 4.44Å; L884-V888 WeakPolarHBondContact O-CB 3.41Å; L884-V888 WeakPolarHBondContact O-CG2 3.43Å; L884-V888 PolarHBondContact O-N 3.37Å; T885-V888 PolarHBondContact O-N 3.04Å; V888-L891 PolarHBondContact O-N 2.85Å; V888-A892 WeakPolarHBondContact O-CB 3.34Å; V888-A892 PolarHBondContact O-N 3.48Å
889	L	51.8	Low	52.1	Low	69 Å²	69	90.8 Å²	90.8	36%	0.361	46%	0.464	S	S	.	.	H	α-helix	trans	-77	-37	177.7	-92.8	146.2	0	0	0	112.9	I851 T885 L891 A892 M893	I851-L889 HydrophobicContact CD1-CB 4.22Å; I851-L889 HydrophobicContact CD1-CD1 3.77Å; I851-L889 HydrophobicContact CD1-CD2 4.06Å; I851-L889 HydrophobicContact CD1-CG 4.22Å; I851-L889 HydrophobicContact CG1-CD1 4.16Å; T885-L889 VanDerWaalsContact O-CB 3.31Å; T885-L889 WeakPolarHBondContact O-CB 3.43Å; T885-L889 PolarHBondContact O-N 2.98Å; L889-L891 VanDerWaalsContact C-N 3.3Å; L889-A892 PolarHBondContact O-N 2.87Å; L889-M893 WeakPolarHBondContact O-CG 3.21Å; L889-M893 PolarHBondContact O-N 2.92Å
890	V	54.2	Low	51.8	Low	60 Å²	60	92.4 Å²	92.4	36%	0.364	48%	0.477	S	S	.	.	H	α-helix	trans	-63.3	-40.8	169.7	169.5	0	0	0	0	109.9	W886 M893 L894	W886-V890 HydrophobicContact CE3-CG2 3.84Å; W886-V890 HydrophobicContact CZ3-CG2 4.23Å; W886-V890 WeakPolarHBondContact O-CB 3.28Å; W886-V890 WeakPolarHBondContact O-CG2 3.34Å; W886-V890 PolarHBondContact O-N 3.27Å; V890-M893 PolarHBondContact O-N 3.47Å; V890-L894 HydrophobicContact CG1-CD1 3.75Å; V890-L894 HydrophobicContact CG1-CG 4.48Å; V890-L894 VanDerWaalsContact O-CB 3.31Å; V890-L894 WeakPolarHBondContact O-CB 3.39Å; V890-L894 WeakPolarHBondContact O-CD1 3.41Å; V890-L894 VanDerWaalsContact O-CG 3.26Å; V890-L894 WeakPolarHBondContact O-CG 3.13Å; V890-L894 PolarHBondContact O-N 2.95Å
891	L	50.4	Low	51.3	Low	73 Å²	73	90 Å²	90	38%	0.382	46%	0.462	S	S	.	.	H	α-helix	trans	-61.6	-42.6	170.4	-94.9	157.2	0	0	0	112	F887 V888 L889 L894 Y895	F887-L891 HydrophobicContact CD1-CD1 3.54Å; F887-L891 HydrophobicContact CE1-CD1 3.29Å; F887-L891 HydrophobicContact CG-CD1 4.38Å; F887-L891 HydrophobicContact CZ-CD1 3.96Å; F887-L891 VanDerWaalsContact O-CB 3.23Å; F887-L891 WeakPolarHBondContact O-CB 3.33Å; F887-L891 PolarHBondContact O-N 3.18Å; V888-L891 PolarHBondContact O-N 2.85Å; L889-L891 VanDerWaalsContact C-N 3.3Å; L891-L894 CarbonylContact O-C 3.49Å; L891-L894 PolarHBondContact O-N 3.16Å; L891-Y895 VanDerWaalsContact O-CB 3.3Å; L891-Y895 WeakPolarHBondContact O-CB 3.12Å; L891-Y895 PolarHBondContact O-N 3.37Å
892	A	52	Low	50.6	Low	49 Å²	49	86.2 Å²	86.2	41%	0.405	44%	0.444	S	S	.	.	H	α-helix	trans	-66.2	-38.6	178	0	0	0	0	0	112.1	V888 L889 Y895 A896	V888-A892 WeakPolarHBondContact O-CB 3.34Å; V888-A892 PolarHBondContact O-N 3.48Å; L889-A892 PolarHBondContact O-N 2.87Å; A892-Y895 PolarHBondContact O-N 2.95Å; A892-A896 WeakPolarHBondContact O-CB 3.41Å; A892-A896 PolarHBondContact O-N 3.16Å
893	M	46.6	Very low	50.1	Low	83 Å²	83	89.2 Å²	89.2	41%	0.409	46%	0.461	S	S	.	.	H	α-helix	trans	-64.1	-43.2	171.2	-73.9	-164.9	-156.8	0	0	111.3	P848 L889 V890 L898	P848-M893 HydrophobicContact CG-CE 4.18Å; L889-M893 WeakPolarHBondContact O-CG 3.21Å; L889-M893 PolarHBondContact O-N 2.92Å; V890-M893 PolarHBondContact O-N 3.47Å; M893-L898 HydrophobicContact CB-CD1 4.19Å; M893-L898 WeakPolarHBondContact O-CD1 3.34Å
894	L	43.2	Very low	49.6	Very low	130 Å²	130	94.5 Å²	94.5	68%	0.681	47%	0.468	S	S	*	.	H	α-helix	trans	-67.2	-36.9	177.3	-77.3	162.8	0	0	0	112.6	V890 L891	V890-L894 HydrophobicContact CG1-CD1 3.75Å; V890-L894 HydrophobicContact CG1-CG 4.48Å; V890-L894 VanDerWaalsContact O-CB 3.31Å; V890-L894 WeakPolarHBondContact O-CB 3.39Å; V890-L894 WeakPolarHBondContact O-CD1 3.41Å; V890-L894 VanDerWaalsContact O-CG 3.26Å; V890-L894 WeakPolarHBondContact O-CG 3.13Å; V890-L894 PolarHBondContact O-N 2.95Å; L891-L894 CarbonylContact O-C 3.49Å; L891-L894 PolarHBondContact O-N 3.16Å
895	Y	45.5	Very low	49	Very low	204 Å²	204	90.6 Å²	90.6	80%	0.8	45%	0.447	S	S	*	.	H	α-helix	trans	-77.9	-34.6	-179.6	-125.3	-92.1	0	0	0	112.5	L891 A892 R897	L891-Y895 VanDerWaalsContact O-CB 3.3Å; L891-Y895 WeakPolarHBondContact O-CB 3.12Å; L891-Y895 PolarHBondContact O-N 3.37Å; A892-Y895 PolarHBondContact O-N 2.95Å; Y895-R897 PolarHBondContact O-N 3.21Å
896	A	43.4	Very low	48.2	Very low	45 Å²	45	93.8 Å²	93.8	37%	0.372	46%	0.462	S	S	.	.	S	Bend	trans	-82.4	61.3	179.4	0	0	0	0	0	110.7	K844 A892 L898	K844-A896 PolarHBondContact NZ-O 3.44Å; A892-A896 WeakPolarHBondContact O-CB 3.41Å; A892-A896 PolarHBondContact O-N 3.16Å; A896-L898 VanDerWaalsContact C-N 3.31Å; A896-L898 PolarHBondContact O-N 3.44Å
897	R	39.2	Very low	47.7	Very low	228 Å²	228	91.4 Å²	91.4	86%	0.86	46%	0.462	S	S	*	.			trans	2.1	83.8	177.3	-90.2	-172.6	179.1	177.2	0.1	109.9	Y895 P899	Y895-R897 PolarHBondContact O-N 3.21Å; R897-P899 VanDerWaalsContact O-CD 3.28Å; R897-P899 WeakPolarHBondContact O-CD 3.48Å
898	L	40.3	Very low	47.1	Very low	65 Å²	65	89.9 Å²	89.9	34%	0.34	46%	0.455	S	S	.	.			trans	-52.6	119.4	168.5	-108.9	127.4	0	0	0	103.8	M893 A896 S900 L902 L903	M893-L898 HydrophobicContact CB-CD1 4.19Å; M893-L898 WeakPolarHBondContact O-CD1 3.34Å; A896-L898 VanDerWaalsContact C-N 3.31Å; A896-L898 PolarHBondContact O-N 3.44Å; L898-S900 PolarHBondContact O-N 3.27Å; L898-L902 HydrophobicContact CD2-CB 4.01Å; L898-L903 HydrophobicContact CD2-CB 4.48Å; L898-L903 HydrophobicContact CD2-CD1 4.34Å
899	P	43.2	Very low	46.1	Very low	55 Å²	55	89.9 Å²	89.9	36%	0.357	45%	0.452	S	S	.	.			trans	-52.1	123.4	168.8	-16.5	28.1	0	0	0	103.7	R897 Q901 L902	R897-P899 VanDerWaalsContact O-CD 3.28Å; R897-P899 WeakPolarHBondContact O-CD 3.48Å; P899-Q901 PolarHBondContact O-N 2.93Å; P899-L902 PolarHBondContact O-N 3.42Å
900	S	47.2	Very low	45.7	Very low	83 Å²	83	91.4 Å²	91.4	58%	0.58	46%	0.464	S	S	*	.	H	α-helix	trans	-50.7	-13.9	-178.2	45.6	0	0	0	0	112.6	L898 R904	L898-S900 PolarHBondContact O-N 3.27Å; S900-R904 WeakPolarHBondContact O-CG 3.46Å; S900-R904 PolarHBondContact O-N 3.05Å
901	Q	46.9	Very low	44.7	Very low	68 Å²	68	91.6 Å²	91.6	32%	0.318	48%	0.479	S	S	.	.	H	α-helix	trans	-75.3	-34.7	173.4	-57.8	-161.5	-6.2	0	0	115.7	F730 P899 R904 L905	F730-Q901 VanDerWaalsContact C-OE1 3.25Å; F730-Q901 HydrophobicContact CB-CB 3.97Å; F730-Q901 HydrophobicContact CD1-CB 3.64Å; F730-Q901 HydrophobicContact CD1-CG 3.99Å; F730-Q901 VanDerWaalsContact CD1-OE1 3.25Å; F730-Q901 HydrophobicContact CE1-CB 4.35Å; F730-Q901 HydrophobicContact CG-CB 3.9Å; F730-Q901 PolarHBondContact O-OE1 3.46Å; P899-Q901 PolarHBondContact O-N 2.93Å; Q901-R904 WeakPolarHBondContact O-CB 3.46Å; Q901-R904 PolarHBondContact O-N 2.91Å; Q901-L905 PolarHBondContact O-N 3.29Å
902	L	44.3	Very low	43.9	Very low	16 Å²	16	95.1 Å²	95.1	8%	0.084	49%	0.492	C	S	.	.	H	α-helix	trans	-74.6	-32.9	178.7	-115.3	150.7	0	0	0	112.3	I845 L898 P899 R904 L905 L906	I845-L902 HydrophobicContact CD1-CD2 4.23Å; I845-L902 HydrophobicContact CG1-CD2 4.25Å; L898-L902 HydrophobicContact CD2-CB 4.01Å; P899-L902 PolarHBondContact O-N 3.42Å; L902-R904 VanDerWaalsContact C-N 3.34Å; L902-L905 WeakPolarHBondContact O-CB 3.07Å; L902-L905 PolarHBondContact O-N 3.44Å; L902-L906 PolarHBondContact O-N 3.39Å; L902-L906 VanDerWaalsContact O-N 3.12Å
903	L	46.8	Very low	43.2	Very low	101 Å²	101	100.5 Å²	100.5	53%	0.529	51%	0.509	S	S	.	.	H	α-helix	trans	-68.8	-35.4	171.2	-154.8	83.8	0	0	0	111.2	L898 L906 V907	L898-L903 HydrophobicContact CD2-CB 4.48Å; L898-L903 HydrophobicContact CD2-CD1 4.34Å; L903-L906 PolarHBondContact O-N 3.29Å; L903-V907 WeakPolarHBondContact O-CG2 3.41Å; L903-V907 PolarHBondContact O-N 3.24Å; L903-V907 VanDerWaalsContact O-N 3.08Å
904	R	47.3	Very low	42.5	Very low	172 Å²	172	103.1 Å²	103.1	65%	0.649	53%	0.525	S	S	*	.	H	α-helix	trans	-64.6	-40.2	171.3	-76.5	177	-171.7	-168.9	1.7	111.4	S900 Q901 L902 V907 F908	S900-R904 WeakPolarHBondContact O-CG 3.46Å; S900-R904 PolarHBondContact O-N 3.05Å; Q901-R904 WeakPolarHBondContact O-CB 3.46Å; Q901-R904 PolarHBondContact O-N 2.91Å; L902-R904 VanDerWaalsContact C-N 3.34Å; R904-V907 PolarHBondContact O-N 2.96Å; R904-F908 WeakPolarHBondContact O-CB 3.17Å; R904-F908 PolarHBondContact O-N 3.35Å
905	L	45.9	Very low	41.9	Very low	9 Å²	9	105.8 Å²	105.8	5%	0.047	53%	0.531	C	S	.	.	H	α-helix	trans	-60	-45.3	175.4	-167.9	86.5	0	0	0	112.1	I725 W726 F730 Q901 L902 F908 L909	I725-L905 HydrophobicContact CB-CD1 4.39Å; I725-L905 HydrophobicContact CG2-CD1 3.68Å; W726-L905 HydrophobicContact CB-CD2 4.37Å; F730-L905 HydrophobicContact CD2-CD1 3.85Å; F730-L905 HydrophobicContact CE2-CB 4.25Å; F730-L905 HydrophobicContact CE2-CD1 3.47Å; F730-L905 VanDerWaalsContact CE2-CD1 3.47Å; F730-L905 HydrophobicContact CE2-CG 4.48Å; Q901-L905 PolarHBondContact O-N 3.29Å; L902-L905 WeakPolarHBondContact O-CB 3.07Å; L902-L905 PolarHBondContact O-N 3.44Å; L905-F908 PolarHBondContact O-N 2.76Å; L905-L909 HydrophobicContact CD2-CD1 4.44Å; L905-L909 HydrophobicContact CG-CD1 4.19Å; L905-L909 WeakPolarHBondContact O-CB 3.4Å; L905-L909 WeakPolarHBondContact O-CG 3.32Å; L905-L909 PolarHBondContact O-N 2.66Å
906	L	43	Very low	41.1	Very low	106 Å²	106	104.2 Å²	104.2	56%	0.555	53%	0.531	S	S	*	.	H	α-helix	trans	-64	-42.9	176.7	-94.2	156.1	0	0	0	112.5	L902 L903 F908 T910	L902-L906 PolarHBondContact O-N 3.39Å; L902-L906 VanDerWaalsContact O-N 3.12Å; L903-L906 PolarHBondContact O-N 3.29Å; L906-F908 VanDerWaalsContact C-N 3.34Å; L906-T910 WeakPolarHBondContact O-CG2 3.29Å; L906-T910 PolarHBondContact O-N 3.35Å; L906-T910 PolarHBondContact O-OG1 2.9Å
907	V	48.9	Very low	40.4	Very low	78 Å²	78	110.3 Å²	110.3	47%	0.473	56%	0.557	S	S	.	*	H	α-helix	trans	-65.6	-38.8	175.3	172.6	0	0	0	0	111.2	L903 R904 T910	L903-V907 WeakPolarHBondContact O-CG2 3.41Å; L903-V907 PolarHBondContact O-N 3.24Å; L903-V907 VanDerWaalsContact O-N 3.08Å; R904-V907 PolarHBondContact O-N 2.96Å; V907-T910 WeakPolarHBondContact CA-OG1 3.44Å; V907-T910 PolarHBondContact O-N 2.87Å; V907-T910 PolarHBondContact O-OG1 2.92Å
908	F	47.6	Very low	39.9	Very low	109 Å²	109	111 Å²	111	48%	0.478	58%	0.577	S	S	.	*	H	α-helix	trans	-67.3	-42.1	178.8	-161.9	-95.2	0	0	0	112.2	Y739 R904 L905 L906 T910 G911	Y739-F908 HydrophobicContact CD1-CE1 4.3Å; Y739-F908 HydrophobicContact CD1-CZ 4.34Å; Y739-F908 AromaticContact CD2-CE1 3.8Å; Y739-F908 HydrophobicContact CD2-CE1 3.8Å; Y739-F908 HydrophobicContact CD2-CZ 4.46Å; Y739-F908 HydrophobicContact CE2-CE1 4.1Å; Y739-F908 AromaticContact CG-CE1 3.91Å; Y739-F908 HydrophobicContact CG-CE1 3.91Å; Y739-F908 HydrophobicContact CG-CZ 4.11Å; R904-F908 WeakPolarHBondContact O-CB 3.17Å; R904-F908 PolarHBondContact O-N 3.35Å; L905-F908 PolarHBondContact O-N 2.76Å; L906-F908 VanDerWaalsContact C-N 3.34Å; F908-T910 PolarHBondContact O-N 3.04Å; F908-G911 PolarHBondContact O-N 3.49Å
909	L	40.7	Very low	39.8	Very low	84 Å²	84	113.4 Å²	113.4	44%	0.44	59%	0.589	S	S	.	*	H	α-helix	trans	-65.4	-23.8	173.9	-73.7	167.8	0	0	0	113	L905	L905-L909 HydrophobicContact CD2-CD1 4.44Å; L905-L909 HydrophobicContact CG-CD1 4.19Å; L905-L909 WeakPolarHBondContact O-CB 3.4Å; L905-L909 WeakPolarHBondContact O-CG 3.32Å; L905-L909 PolarHBondContact O-N 2.66Å
910	T	43.4	Very low	39.7	Very low	101 Å²	101	116.4 Å²	116.4	62%	0.62	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.3	3.6	176.1	57.4	0	0	0	0	114.9	L906 V907 F908 H912	L906-T910 WeakPolarHBondContact O-CG2 3.29Å; L906-T910 PolarHBondContact O-N 3.35Å; L906-T910 PolarHBondContact O-OG1 2.9Å; V907-T910 WeakPolarHBondContact CA-OG1 3.44Å; V907-T910 PolarHBondContact O-N 2.87Å; V907-T910 PolarHBondContact O-OG1 2.92Å; F908-T910 PolarHBondContact O-N 3.04Å; T910-H912 PolarHBondContact O-N 3.22Å
911	G	32.8	Very low	39.2	Very low	65 Å²	65	118.3 Å²	118.3	67%	0.67	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	73.7	17	166.2	0	0	0	0	0	116.8	F908 E913	F908-G911 PolarHBondContact O-N 3.49Å; G911-E913 PolarHBondContact O-N 2.89Å
912	H	34.3	Very low	38.8	Very low	146 Å²	146	121.2 Å²	121.2	68%	0.676	62%	0.619	S	S	*	*			trans	-92.4	81	175.9	-116.5	-68.2	0	0	0	111.6	T910 N914	T910-H912 PolarHBondContact O-N 3.22Å; H912-N914 PolarHBondContact O-N 2.82Å
913	E	35.9	Very low	38.5	Very low	163 Å²	163	127.8 Å²	127.8	76%	0.762	65%	0.652	S	S	*	*			trans	-73.6	102.7	159.5	-85.1	-168.1	158.3	0	0	109.1	G911 K915	G911-E913 PolarHBondContact O-N 2.89Å; E913-K915 PolarHBondContact O-N 2.95Å
914	N	33	Very low	37.9	Very low	138 Å²	138	129.6 Å²	129.6	74%	0.738	66%	0.66	S	S	*	*			trans	-76.5	102.8	160.2	-89.5	-14.5	0	0	0	108.7	H912 H916	H912-N914 PolarHBondContact O-N 2.82Å; N914-H916 PolarHBondContact O-N 3.45Å
915	K	30.5	Very low	37.2	Very low	185 Å²	185	126.6 Å²	126.6	80%	0.804	66%	0.661	S	S	*	*			trans	-58.8	96.8	157.4	-76.7	179.5	174.5	176.8	0	109.5	E913	E913-K915 PolarHBondContact O-N 2.95Å
916	H	28.6	Very low	36.6	Very low	171 Å²	171	135.6 Å²	135.6	79%	0.792	71%	0.708	S	S	*	*			trans	-150.7	96.9	153.3	-90.1	-69.9	0	0	0	107.7	N914	N914-H916 PolarHBondContact O-N 3.45Å
917	D	28.5	Very low	36	Very low	173 Å²	173	138.1 Å²	138.1	93%	0.925	72%	0.721	S	S	*	*				-163.3	117.2	126.7	-89.7	-21.1	0	0	0	108.6
918	L	28.2	Very low	34.9	Very low	244 Å²	244	143.5 Å²	143.5	100%	1.277	74%	0.744	S	S	*	*			trans	-129.9	0	172.2	-150.9	164.9	0	0	0	104.9

Retrieved 918 of 918 residues in 397 ms (Link to these results)

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