A0A5K4ERV5_SCHMA Loading...

MUTSd domain-containing protein

AlphaFold DB , UniProt , Accession A0A5K4ERV5, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 775 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.9	Very low	39.9	Very low	190 Å²	190	129.2 Å²	129.2	94%	0.936	63%	0.634	S	S	*	*				0	-51.3	0	-93.1	-179.6	89	0	0	113.7	M3 N4 K5	M1-M3 PolarHBondContact O-N 3.32Å; M1-N4 PolarHBondContact O-N 2.79Å; M1-K5 PolarHBondContact O-N 2.9Å
2	I	37.7	Very low	39.9	Very low	139 Å²	139	124.5 Å²	124.5	71%	0.713	62%	0.622	S	S	*	*	H	α-helix	trans	-63.9	-39.4	-177.5	-61.3	172.3	0	0	0	112.4	N4 K5 L6	I2-N4 PolarHBondContact O-N 3.09Å; I2-K5 PolarHBondContact O-N 2.93Å; I2-L6 HydrophobicContact CG2-CD1 4.45Å; I2-L6 PolarHBondContact O-N 2.89Å
3	M	34.3	Very low	39.9	Very low	148 Å²	148	123.8 Å²	123.8	73%	0.729	62%	0.62	S	S	*	*	H	α-helix	trans	-61.9	-41.7	175.2	-103.9	-153.2	-89.1	0	0	113.5	M1 K5 L6 I7	M1-M3 PolarHBondContact O-N 3.32Å; M3-K5 VanDerWaalsContact C-N 3.32Å; M3-K5 PolarHBondContact O-N 3.18Å; M3-L6 PolarHBondContact O-N 3.03Å; M3-I7 WeakPolarHBondContact O-CG1 2.95Å; M3-I7 PolarHBondContact O-N 3.49Å
4	N	40.2	Very low	40	Very low	107 Å²	107	119.8 Å²	119.8	57%	0.572	61%	0.609	S	S	*	*	H	α-helix	trans	-64.4	-37.4	177.8	-71.9	5.8	0	0	0	111.6	M1 I2 L6 I7 D8	M1-N4 PolarHBondContact O-N 2.79Å; I2-N4 PolarHBondContact O-N 3.09Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 3.01Å; N4-I7 PolarHBondContact O-N 3.07Å; N4-D8 WeakPolarHBondContact O-CB 3.18Å; N4-D8 PolarHBondContact O-N 3.12Å
5	K	37	Very low	40.1	Very low	142 Å²	142	124.5 Å²	124.5	62%	0.617	62%	0.617	S	S	*	*	H	α-helix	trans	-64.3	-34	174.6	-78.8	-170.8	172.5	-173.5	0	113.2	M1 I2 M3 H9	M1-K5 PolarHBondContact O-N 2.9Å; I2-K5 PolarHBondContact O-N 2.93Å; M3-K5 VanDerWaalsContact C-N 3.32Å; M3-K5 PolarHBondContact O-N 3.18Å; K5-H9 WeakPolarHBondContact O-CB 3.43Å; K5-H9 PolarHBondContact O-CD2 3Å; K5-H9 PolarHBondContact O-N 3.18Å
6	L	35.8	Very low	40.3	Very low	108 Å²	108	120.8 Å²	120.8	57%	0.565	61%	0.605	S	S	*	*	H	α-helix	trans	-70.5	-41.1	176	-98	150.7	0	0	0	111.9	I2 M3 N4 H9 M10	I2-L6 HydrophobicContact CG2-CD1 4.45Å; I2-L6 PolarHBondContact O-N 2.89Å; M3-L6 PolarHBondContact O-N 3.03Å; N4-L6 VanDerWaalsContact C-N 3.32Å; N4-L6 PolarHBondContact O-N 3.01Å; L6-H9 PolarHBondContact O-N 3.28Å; L6-M10 PolarHBondContact O-N 2.71Å
7	I	43.9	Very low	40.2	Very low	79 Å²	79	122.1 Å²	122.1	41%	0.405	61%	0.606	S	S	.	*	H	α-helix	trans	-64.2	-44.3	175	-65.8	167.9	0	0	0	110.3	M3 N4 H9 M10 F11	M3-I7 WeakPolarHBondContact O-CG1 2.95Å; M3-I7 PolarHBondContact O-N 3.49Å; N4-I7 PolarHBondContact O-N 3.07Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.13Å; I7-M10 PolarHBondContact O-N 3.14Å; I7-M10 VanDerWaalsContact O-N 3.15Å; I7-F11 HydrophobicContact CG2-CD2 3.73Å; I7-F11 HydrophobicContact CG2-CE2 3.84Å; I7-F11 WeakPolarHBondContact O-CD2 3.41Å; I7-F11 PolarHBondContact O-N 2.9Å
8	D	44.3	Very low	40.3	Very low	103 Å²	103	124.1 Å²	124.1	55%	0.551	61%	0.611	S	S	*	*	H	α-helix	trans	-62.3	-36.6	175.6	-75.3	-25.9	0	0	0	112.1	N4 C12	N4-D8 WeakPolarHBondContact O-CB 3.18Å; N4-D8 PolarHBondContact O-N 3.12Å; D8-C12 WeakPolarHBondContact O-CB 3.15Å; D8-C12 PolarHBondContact O-N 3.36Å; D8-C12 PolarHBondContact O-SG 3.38Å; D8-C12 VanDerWaalsContact O-SG 3.32Å
9	H	41.4	Very low	40.3	Very low	132 Å²	132	123.6 Å²	123.6	61%	0.611	61%	0.607	S	S	*	*	H	α-helix	trans	-66.2	-40.2	172.9	-100.9	-72.2	0	0	0	112.6	K5 L6 I7 C12 I13	K5-H9 WeakPolarHBondContact O-CB 3.43Å; K5-H9 PolarHBondContact O-CD2 3Å; K5-H9 PolarHBondContact O-N 3.18Å; L6-H9 PolarHBondContact O-N 3.28Å; I7-H9 VanDerWaalsContact C-N 3.3Å; I7-H9 PolarHBondContact O-N 3.13Å; H9-C12 WeakPolarHBondContact O-CB 3.25Å; H9-C12 PolarHBondContact O-N 3.02Å; H9-I13 WeakPolarHBondContact O-CG1 3.3Å; H9-I13 PolarHBondContact O-N 3.3Å
10	M	41	Very low	40.1	Very low	135 Å²	135	126.8 Å²	126.8	67%	0.665	61%	0.612	S	S	*	*	H	α-helix	trans	-66.8	-41	175.9	-74.1	-177.1	62.4	0	0	112.3	L6 I7 C12 I13 S14	L6-M10 PolarHBondContact O-N 2.71Å; I7-M10 PolarHBondContact O-N 3.14Å; I7-M10 VanDerWaalsContact O-N 3.15Å; M10-C12 VanDerWaalsContact C-N 3.32Å; M10-I13 PolarHBondContact O-N 3.18Å; M10-S14 PolarHBondContact O-N 3.3Å
11	F	44	Very low	40.1	Very low	138 Å²	138	124.9 Å²	124.9	61%	0.605	61%	0.605	S	S	*	*	H	α-helix	trans	-66.1	-35.6	172.9	-88.3	-77.1	0	0	0	111.9	I7 S14 R15	I7-F11 HydrophobicContact CG2-CD2 3.73Å; I7-F11 HydrophobicContact CG2-CE2 3.84Å; I7-F11 WeakPolarHBondContact O-CD2 3.41Å; I7-F11 PolarHBondContact O-N 2.9Å; F11-S14 PolarHBondContact O-N 3.32Å; F11-R15 WeakPolarHBondContact O-CB 3.4Å; F11-R15 PolarHBondContact O-N 2.93Å
12	C	40.7	Very low	40.1	Very low	73 Å²	73	124 Å²	124	49%	0.493	60%	0.596	S	S	.	*	H	α-helix	trans	-61.4	-43.2	170.6	-80.8	0	0	0	0	111.6	D8 H9 M10 S14 R15 C16	D8-C12 WeakPolarHBondContact O-CB 3.15Å; D8-C12 PolarHBondContact O-N 3.36Å; D8-C12 PolarHBondContact O-SG 3.38Å; D8-C12 VanDerWaalsContact O-SG 3.32Å; H9-C12 WeakPolarHBondContact O-CB 3.25Å; H9-C12 PolarHBondContact O-N 3.02Å; M10-C12 VanDerWaalsContact C-N 3.32Å; C12-S14 PolarHBondContact O-N 2.97Å; C12-R15 PolarHBondContact O-N 2.92Å; C12-C16 WeakPolarHBondContact O-CA 3.33Å; C12-C16 WeakPolarHBondContact O-CB 3.2Å; C12-C16 PolarHBondContact O-N 3.5Å; C12-C16 PolarHBondContact O-SG 2.86Å
13	I	40	Very low	40.1	Very low	116 Å²	116	123.3 Å²	123.3	60%	0.595	59%	0.59	S	S	*	*	H	α-helix	trans	-63.3	-42.5	177.9	-66.9	163.2	0	0	0	111.1	H9 M10 C16 K17	H9-I13 WeakPolarHBondContact O-CG1 3.3Å; H9-I13 PolarHBondContact O-N 3.3Å; M10-I13 PolarHBondContact O-N 3.18Å; I13-C16 PolarHBondContact O-N 3.39Å; I13-K17 WeakPolarHBondContact O-CB 3.48Å; I13-K17 PolarHBondContact O-N 3.2Å
14	S	40.9	Very low	40.1	Very low	67 Å²	67	118.3 Å²	118.3	47%	0.469	57%	0.567	S	S	.	*	H	α-helix	trans	-62.6	-46.2	176.1	169.8	0	0	0	0	112.9	M10 F11 C12 K17 K18	M10-S14 PolarHBondContact O-N 3.3Å; F11-S14 PolarHBondContact O-N 3.32Å; C12-S14 PolarHBondContact O-N 2.97Å; S14-K17 PolarHBondContact O-N 3.4Å; S14-K18 PolarHBondContact O-N 2.72Å
15	R	41.8	Very low	39.7	Very low	191 Å²	191	123.4 Å²	123.4	72%	0.721	58%	0.579	S	S	*	*	H	α-helix	trans	-68.1	-41.5	176.4	-101.2	-176.5	172	176.6	-1.4	111.9	F11 C12 K17 K18 Q19	F11-R15 WeakPolarHBondContact O-CB 3.4Å; F11-R15 PolarHBondContact O-N 2.93Å; C12-R15 PolarHBondContact O-N 2.92Å; R15-K17 VanDerWaalsContact C-N 3.29Å; R15-K17 PolarHBondContact O-N 2.78Å; R15-K18 PolarHBondContact O-N 2.56Å; R15-Q19 WeakPolarHBondContact O-CB 3.05Å; R15-Q19 PolarHBondContact O-N 2.8Å
16	C	42.8	Very low	39.6	Very low	65 Å²	65	124.9 Å²	124.9	44%	0.439	59%	0.587	S	S	.	*	H	α-helix	trans	-58	-43.7	173.5	-78.6	0	0	0	0	109.7	C12 I13 K18 Q19 W20	C12-C16 WeakPolarHBondContact O-CA 3.33Å; C12-C16 WeakPolarHBondContact O-CB 3.2Å; C12-C16 PolarHBondContact O-N 3.5Å; C12-C16 PolarHBondContact O-SG 2.86Å; I13-C16 PolarHBondContact O-N 3.39Å; C16-K18 PolarHBondContact O-N 3.4Å; C16-Q19 PolarHBondContact O-N 3.48Å; C16-W20 VanDerWaalsContact O-CB 3.24Å; C16-W20 WeakPolarHBondContact O-CB 3.36Å; C16-W20 PolarHBondContact O-N 2.82Å
17	K	38.9	Very low	39.4	Very low	143 Å²	143	125.7 Å²	125.7	62%	0.622	59%	0.592	S	S	*	*	H	α-helix	trans	-58.7	-46.2	176.5	-153.3	172.8	-173.3	176.6	0	112.4	I13 S14 R15 W20 D21	I13-K17 WeakPolarHBondContact O-CB 3.48Å; I13-K17 PolarHBondContact O-N 3.2Å; S14-K17 PolarHBondContact O-N 3.4Å; R15-K17 VanDerWaalsContact C-N 3.29Å; R15-K17 PolarHBondContact O-N 2.78Å; K17-W20 PolarHBondContact O-N 2.86Å; K17-D21 PolarHBondContact O-N 3.19Å; K17-D21 VanDerWaalsContact O-N 3.14Å
18	K	42.2	Very low	38.7	Very low	158 Å²	158	129.8 Å²	129.8	69%	0.687	61%	0.607	S	S	*	*	H	α-helix	trans	-70	-33.3	176.6	-79.5	-173.8	175.6	-179.9	0	114.1	S14 R15 C16 K22	S14-K18 PolarHBondContact O-N 2.72Å; R15-K18 PolarHBondContact O-N 2.56Å; C16-K18 PolarHBondContact O-N 3.4Å; K18-K22 PolarHBondContact O-N 3.41Å
19	Q	39.6	Very low	37.8	Very low	114 Å²	114	130.5 Å²	130.5	53%	0.533	62%	0.617	S	S	.	*	H	α-helix	trans	-76.6	-34.7	175.5	-91.9	-177.2	-31.8	0	0	111.7	R15 C16 K22 Q23	R15-Q19 WeakPolarHBondContact O-CB 3.05Å; R15-Q19 PolarHBondContact O-N 2.8Å; C16-Q19 PolarHBondContact O-N 3.48Å; Q19-K22 PolarHBondContact O-N 2.81Å; Q19-K22 VanDerWaalsContact O-N 3.16Å; Q19-Q23 WeakPolarHBondContact O-CB 3.4Å; Q19-Q23 PolarHBondContact O-N 2.9Å
20	W	37.1	Very low	37.2	Very low	187 Å²	187	133 Å²	133	71%	0.708	63%	0.631	S	S	*	*	H	α-helix	trans	-61.7	-47.7	175.1	-129.8	-24.3	0	0	0	109.6	C16 K17 K22 Q23 T24	C16-W20 VanDerWaalsContact O-CB 3.24Å; C16-W20 WeakPolarHBondContact O-CB 3.36Å; C16-W20 PolarHBondContact O-N 2.82Å; K17-W20 PolarHBondContact O-N 2.86Å; W20-K22 PolarHBondContact O-N 3.12Å; W20-Q23 PolarHBondContact O-N 3.47Å; W20-T24 WeakPolarHBondContact O-CG2 3.39Å; W20-T24 PolarHBondContact O-N 3.44Å; W20-T24 PolarHBondContact O-OG1 2.96Å
21	D	39.6	Very low	36.7	Very low	88 Å²	88	131.2 Å²	131.2	47%	0.471	63%	0.632	S	S	.	*	H	α-helix	trans	-60.3	-27.6	175.9	-82.3	-25.3	0	0	0	113.6	K17	K17-D21 PolarHBondContact O-N 3.19Å; K17-D21 VanDerWaalsContact O-N 3.14Å
22	K	39.3	Very low	36.5	Very low	171 Å²	171	130.5 Å²	130.5	74%	0.743	64%	0.644	S	S	*	*	H	α-helix	trans	-86.9	-37.5	177.3	-84.6	-172.1	173.7	-173.9	0	113.5	K18 Q19 W20	K18-K22 PolarHBondContact O-N 3.41Å; Q19-K22 PolarHBondContact O-N 2.81Å; Q19-K22 VanDerWaalsContact O-N 3.16Å; W20-K22 PolarHBondContact O-N 3.12Å
23	Q	36.4	Very low	36.6	Very low	124 Å²	124	132.6 Å²	132.6	58%	0.579	66%	0.659	S	S	*	*	H	α-helix	trans	-82.6	-28.6	-176.3	-77.3	-169.1	-20.3	0	0	113.2	Q19 W20 R25 H26	Q19-Q23 WeakPolarHBondContact O-CB 3.4Å; Q19-Q23 PolarHBondContact O-N 2.9Å; W20-Q23 PolarHBondContact O-N 3.47Å; Q23-R25 VanDerWaalsContact C-N 3.26Å; Q23-R25 PolarHBondContact O-N 3.19Å; Q23-H26 PolarHBondContact O-N 3.46Å
24	T	34.9	Very low	37	Very low	43 Å²	43	132.6 Å²	132.6	26%	0.264	66%	0.656	S	S	.	*	H	α-helix	trans	-68.7	-23.8	178.8	50.9	0	0	0	0	113.4	W20 H26 L27	W20-T24 WeakPolarHBondContact O-CG2 3.39Å; W20-T24 PolarHBondContact O-N 3.44Å; W20-T24 PolarHBondContact O-OG1 2.96Å; T24-H26 PolarHBondContact O-N 3.16Å; T24-H26 VanDerWaalsContact O-N 3.13Å; T24-L27 PolarHBondContact O-N 2.72Å
25	R	32.6	Very low	37.5	Very low	214 Å²	214	133.3 Å²	133.3	81%	0.808	66%	0.659	S	S	*	*	H	α-helix	trans	-62.2	-18.6	175	-76.8	-170.1	177.9	-168.6	-1.6	114.3	Q23	Q23-R25 VanDerWaalsContact C-N 3.26Å; Q23-R25 PolarHBondContact O-N 3.19Å
26	H	34.1	Very low	39	Very low	173 Å²	173	127.3 Å²	127.3	80%	0.801	64%	0.639	S	S	*	*	H	α-helix	trans	-111.4	-10.6	-178.2	-73.7	-63	0	0	0	115.2	Q23 T24	Q23-H26 PolarHBondContact O-N 3.46Å; T24-H26 PolarHBondContact O-N 3.16Å; T24-H26 VanDerWaalsContact O-N 3.13Å
27	L	31.2	Very low	41	Very low	125 Å²	125	125.9 Å²	125.9	65%	0.654	63%	0.627	S	S	*	*	H	α-helix	trans	-101.5	-11.5	-171.9	-85.3	157.4	0	0	0	115.3	T24	T24-L27 PolarHBondContact O-N 2.72Å
28	F	29.4	Very low	43.2	Very low	165 Å²	165	120.3 Å²	120.3	72%	0.724	60%	0.602	S	S	*	*	S	Bend	trans	-116.4	104.8	174	-72.4	-80.4	0	0	0	110.1	M30	F28-M30 PolarHBondContact O-N 2.7Å
29	P	27.1	Very low	45.4	Very low	118 Å²	118	113 Å²	113	77%	0.766	57%	0.571	S	S	*	*			trans	-60.3	129.1	170.8	24.5	-29.3	0	0	0	108.2	S31	P29-S31 VanDerWaalsContact C-N 3.3Å; P29-S31 PolarHBondContact O-N 2.96Å
30	M	27.2	Very low	47.8	Very low	185 Å²	185	107.6 Å²	107.6	91%	0.911	55%	0.545	S	S	*	.			trans	-57.7	82	-176.8	-66	-103.3	-165.8	0	0	111.5	F28	F28-M30 PolarHBondContact O-N 2.7Å
31	S	32.2	Very low	50.3	Low	98 Å²	98	99 Å²	99	69%	0.685	51%	0.514	S	S	*	.			trans	-67.5	133.4	154.8	55.6	0	0	0	0	107.2	P29 C33	P29-S31 VanDerWaalsContact C-N 3.3Å; P29-S31 PolarHBondContact O-N 2.96Å; S31-C33 PolarHBondContact O-N 2.85Å
32	S	38	Very low	52.6	Low	123 Å²	123	95.1 Å²	95.1	86%	0.86	49%	0.493	S	S	*	.	S	Bend	trans	-56.6	18.5	-172.5	45.5	0	0	0	0	117.9	E34	S32-E34 PolarHBondContact O-N 3.46Å
33	C	43	Very low	54.7	Low	117 Å²	117	88 Å²	88	79%	0.791	46%	0.463	S	S	*	.			trans	-94.4	80.5	173.7	-75.2	0	0	0	0	110.4	S31	S31-C33 PolarHBondContact O-N 2.85Å
34	E	48	Very low	56.9	Low	116 Å²	116	83.7 Å²	83.7	54%	0.542	45%	0.449	S	S	.	.			trans	-71.2	147.7	171.3	-67.7	-174.7	124	0	0	111.5	S32 R84	S32-E34 PolarHBondContact O-N 3.46Å; E34-R84 IonicContact OE1-NH1 2.64Å; E34-R84 IonicContact OE2-CZ 3.6Å; E34-R84 IonicContact OE2-NH1 2.89Å; E34-R84 PolarHBondContact OE2-NH1 3.02Å; E34-R84 IonicContact OE2-NH2 3.69Å; E34-R84 PolarHBondContact OE2-NH2 3.37Å
35	P	52.5	Low	58.8	Low	82 Å²	82	88.7 Å²	88.7	53%	0.532	47%	0.469	S	S	.	.			trans	-73.8	140.4	-158.3	26.8	-35	0	0	0	114.6
36	Q	73.5	Confident	60.6	Low	65 Å²	65	85.6 Å²	85.6	30%	0.304	46%	0.464	S	S	.	.			trans	-104.4	128.5	177.4	-68.1	179.9	-24.7	0	0	110.7	Y38 P55 R84 V86	Q36-Y38 WeakPolarHBondContact O-CD2 3.25Å; Q36-Y38 WeakPolarHBondContact O-CE2 3.32Å; Q36-P55 WeakPolarHBondContact O-CD 3.38Å; Q36-P55 WeakPolarHBondContact O-CG 3.36Å; Q36-R84 WeakPolarHBondContact CA-O 3.36Å; Q36-V86 HydrophobicContact CB-CG2 3.92Å; Q36-V86 HydrophobicContact CG-CG2 4.23Å
37	L	83.5	Confident	62.7	Low	34 Å²	34	80.3 Å²	80.3	18%	0.178	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	139	171.2	-70.8	173.4	0	0	0	109.1	L52 N54 N82 R84 L85 V86	L37-L52 HydrophobicContact CB-CD1 4.26Å; L37-N54 HydrophobicContact CD2-CB 3.67Å; L37-N82 HydrophobicContact CD1-CB 4.41Å; L37-R84 PolarHBondContact N-O 2.78Å; L37-R84 VanDerWaalsContact N-O 3.07Å; L37-L85 HydrophobicContact CB-CD1 3.73Å; L37-V86 PolarHBondContact O-N 3.01Å
38	Y	86.3	Confident	65.2	Low	26 Å²	26	74.4 Å²	74.4	10%	0.102	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	115.5	178.8	-66.8	-89.1	0	0	0	111	Q36 L52 W53 V86 L88 L170 L174	Q36-Y38 WeakPolarHBondContact O-CD2 3.25Å; Q36-Y38 WeakPolarHBondContact O-CE2 3.32Å; Y38-L52 CarbonylContact O-C 3.5Å; Y38-L52 WeakPolarHBondContact O-CA 3.44Å; Y38-W53 AromaticContact CD2-CE3 3.6Å; Y38-W53 HydrophobicContact CD2-CE3 3.6Å; Y38-W53 AromaticContact CD2-CZ3 3.79Å; Y38-W53 HydrophobicContact CD2-CZ3 3.79Å; Y38-W53 HydrophobicContact CE2-CE3 4.26Å; Y38-W53 AromaticContact CE2-CZ3 3.97Å; Y38-W53 HydrophobicContact CE2-CZ3 3.97Å; Y38-W53 HydrophobicContact CG-CE3 4.28Å; Y38-W53 PolarHBondContact N-O 2.88Å; Y38-W53 PolarHBondContact O-N 2.95Å; Y38-V86 HydrophobicContact CD1-CB 3.91Å; Y38-V86 HydrophobicContact CD1-CG1 4.08Å; Y38-V86 HydrophobicContact CE1-CB 4.13Å; Y38-V86 HydrophobicContact CE1-CG1 4.19Å; Y38-V86 HydrophobicContact CE1-CG2 4.3Å; Y38-L88 HydrophobicContact CD1-CD1 4.47Å; Y38-L170 HydrophobicContact CG-CD1 4.21Å; Y38-L174 HydrophobicContact CE2-CD2 4.44Å
39	L	88	Confident	67.9	Low	5 Å²	5	66.6 Å²	66.6	3%	0.026	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	110.5	173.5	177.8	73.1	0	0	0	109.9	V41 L50 V51 L52 L79 L85 V86 I87 L88	L39-V41 HydrophobicContact CD2-CG2 3.98Å; L39-V41 HydrophobicContact CG-CG2 3.93Å; L39-L50 HydrophobicContact CD1-CB 4.3Å; L39-L50 HydrophobicContact CD1-CD2 4.41Å; L39-V51 CarbonylContact C-O 3.53Å; L39-V51 WeakPolarHBondContact CA-O 3.34Å; L39-L52 HydrophobicContact CB-CD1 4.02Å; L39-L52 HydrophobicContact CD1-CB 4.09Å; L39-L52 HydrophobicContact CD1-CD1 4.27Å; L39-L79 HydrophobicContact CD1-CD1 4.46Å; L39-L79 HydrophobicContact CD1-CD2 4.03Å; L39-L79 HydrophobicContact CD2-CB 4.49Å; L39-L79 HydrophobicContact CD2-CD1 3.73Å; L39-L79 HydrophobicContact CD2-CD2 4.03Å; L39-L79 HydrophobicContact CD2-CG 4.3Å; L39-L85 HydrophobicContact CB-CD1 3.85Å; L39-L85 HydrophobicContact CB-CD2 4.36Å; L39-L85 HydrophobicContact CB-CG 4.3Å; L39-L85 HydrophobicContact CD2-CD2 4.17Å; L39-V86 PolarHBondContact N-O 2.95Å; L39-I87 HydrophobicContact CD2-CG1 4.3Å; L39-I87 CarbonylContact O-C 3.6Å; L39-I87 WeakPolarHBondContact O-CA 3.48Å; L39-L88 PolarHBondContact O-N 2.77Å
40	S	91.2	Very high	70.9	Confident	0 Å²	0	61 Å²	61	0%	0	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	129.8	171.8	-173.9	0	0	0	0	111.8	L50 V51 Y122 A166	S40-L50 WeakPolarHBondContact O-CA 3.12Å; S40-V51 PolarHBondContact N-O 3.21Å; S40-V51 PolarHBondContact O-N 3.14Å; S40-Y122 PolarHBondContact OG-OH 3.2Å; S40-Y122 VanDerWaalsContact OG-OH 3.1Å; S40-A166 WeakPolarHBondContact CB-O 3.31Å; S40-A166 WeakPolarHBondContact OG-CA 3.25Å; S40-A166 PolarHBondContact OG-O 3.1Å
41	V	87.6	Confident	73.9	Confident	7 Å²	7	52.2 Å²	52.2	4%	0.042	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.5	119.8	-172.4	-175	0	0	0	0	110.5	L39 I43 I48 L50 I87 L88 I89 Y122	L39-V41 HydrophobicContact CD2-CG2 3.98Å; L39-V41 HydrophobicContact CG-CG2 3.93Å; V41-I43 HydrophobicContact CG1-CD1 4.26Å; V41-I43 HydrophobicContact CG1-CG1 4.11Å; V41-I48 HydrophobicContact CG1-CD1 3.97Å; V41-I48 HydrophobicContact CG1-CG1 4.21Å; V41-L50 HydrophobicContact CB-CD2 3.91Å; V41-L50 HydrophobicContact CG1-CD2 3.67Å; V41-L50 HydrophobicContact CG2-CD2 3.58Å; V41-I87 HydrophobicContact CG2-CG2 3.95Å; V41-L88 PolarHBondContact N-O 2.75Å; V41-I89 HydrophobicContact CB-CD1 4.27Å; V41-I89 HydrophobicContact CB-CG1 4.28Å; V41-I89 HydrophobicContact CG1-CD1 4.19Å; V41-Y122 VanDerWaalsContact O-CE1 3.32Å; V41-Y122 WeakPolarHBondContact O-CE1 3.4Å
42	C	88.2	Confident	76.6	Confident	7 Å²	7	48.4 Å²	48.4	5%	0.047	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	121.7	172.7	-168.6	0	0	0	0	110.3	I48 G49 Y122 L162 R165 A166	C42-I48 WeakPolarHBondContact O-CA 3.25Å; C42-G49 PolarHBondContact N-O 3.42Å; C42-G49 PolarHBondContact O-N 2.86Å; C42-Y122 HydrophobicContact CB-CD1 3.78Å; C42-Y122 HydrophobicContact CB-CE1 4.05Å; C42-L162 HydrophobicContact CB-CB 4.3Å; C42-R165 HydrophobicContact CB-CB 4.32Å; C42-A166 HydrophobicContact CB-CB 4.04Å
43	I	84.2	Confident	79.1	Confident	20 Å²	20	43.3 Å²	43.3	10%	0.103	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	126.9	176.1	-60.6	174.2	0	0	0	109.5	V41 K47 I48 S93 F96 I97	V41-I43 HydrophobicContact CG1-CD1 4.26Å; V41-I43 HydrophobicContact CG1-CG1 4.11Å; I43-K47 VanDerWaalsContact CA-O 3.29Å; I43-K47 WeakPolarHBondContact CA-O 3.03Å; I43-K47 WeakPolarHBondContact CG2-O 3.38Å; I43-I48 HydrophobicContact CD1-CD1 4.05Å; I43-I48 HydrophobicContact CD1-CG1 4.43Å; I43-I48 HydrophobicContact CG1-CB 4.13Å; I43-I48 HydrophobicContact CG1-CD1 4.03Å; I43-I48 HydrophobicContact CG1-CG1 3.85Å; I43-S93 PolarHBondContact N-OG 2.9Å; I43-S93 PolarHBondContact O-OG 3.36Å; I43-F96 HydrophobicContact CD1-CD1 4.16Å; I43-F96 HydrophobicContact CG2-CD1 3.71Å; I43-F96 HydrophobicContact CG2-CE1 3.81Å; I43-F96 HydrophobicContact CG2-CG 4.47Å; I43-I97 HydrophobicContact CD1-CD1 3.51Å; I43-I97 HydrophobicContact CD1-CG1 3.4Å
44	A	83.2	Confident	81.2	Confident	34 Å²	34	40.1 Å²	40.1	28%	0.281	20%	0.203	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.9	144.8	169.3	0	0	0	0	0	110.5	E46 K47 L162	A44-E46 VanDerWaalsContact C-N 3.31Å; A44-E46 PolarHBondContact O-N 2.98Å; A44-K47 PolarHBondContact N-O 3.27Å; A44-K47 PolarHBondContact O-N 2.83Å; A44-L162 HydrophobicContact CB-CD2 3.82Å
45	Q	73.7	Confident	82.8	Confident	148 Å²	148	36.2 Å²	36.2	69%	0.692	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.6	46.8	177.4	-57.5	177.5	-20	0	0	112.9	K47	Q45-K47 PolarHBondContact O-N 2.88Å
46	E	70.1	Confident	84.2	Confident	149 Å²	149	39.1 Å²	39.1	70%	0.696	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	59.8	14.7	-178.9	-54.7	175.8	169.4	0	0	114.8	A44 F68	A44-E46 VanDerWaalsContact C-N 3.31Å; A44-E46 PolarHBondContact O-N 2.98Å; E46-F68 PolarHBondContact O-N 2.97Å
47	K	79.7	Confident	84.7	Confident	62 Å²	62	38.6 Å²	38.6	27%	0.27	19%	0.19	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.4	150.3	174.4	-66.7	174.9	-172.3	167	0	110.3	I43 A44 Q45 S66 L162	I43-K47 VanDerWaalsContact CA-O 3.29Å; I43-K47 WeakPolarHBondContact CA-O 3.03Å; I43-K47 WeakPolarHBondContact CG2-O 3.38Å; A44-K47 PolarHBondContact N-O 3.27Å; A44-K47 PolarHBondContact O-N 2.83Å; Q45-K47 PolarHBondContact O-N 2.88Å; K47-S66 CarbonylContact C-O 3.46Å; K47-S66 WeakPolarHBondContact CA-O 3.44Å; K47-S66 WeakPolarHBondContact CB-O 3.35Å; K47-L162 HydrophobicContact CB-CD1 3.6Å; K47-L162 WeakPolarHBondContact O-CD1 3.48Å
48	I	83.1	Confident	84.8	Confident	2 Å²	2	40 Å²	40	1%	0.01	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	135.7	178.1	-172.5	163.4	0	0	0	109.3	V41 C42 I43 L50 M63 D65 S66 F68	V41-I48 HydrophobicContact CG1-CD1 3.97Å; V41-I48 HydrophobicContact CG1-CG1 4.21Å; C42-I48 WeakPolarHBondContact O-CA 3.25Å; I43-I48 HydrophobicContact CD1-CD1 4.05Å; I43-I48 HydrophobicContact CD1-CG1 4.43Å; I43-I48 HydrophobicContact CG1-CB 4.13Å; I43-I48 HydrophobicContact CG1-CD1 4.03Å; I43-I48 HydrophobicContact CG1-CG1 3.85Å; I48-L50 HydrophobicContact CD1-CD2 3.9Å; I48-L50 HydrophobicContact CD1-CG 4.34Å; I48-L50 HydrophobicContact CG1-CD2 3.88Å; I48-L50 HydrophobicContact CG1-CG 4.08Å; I48-M63 HydrophobicContact CG2-CE 3.62Å; I48-D65 WeakPolarHBondContact O-CA 3.46Å; I48-S66 PolarHBondContact N-O 2.74Å; I48-S66 PolarHBondContact O-N 2.84Å; I48-S66 VanDerWaalsContact O-N 3.11Å; I48-F68 HydrophobicContact CB-CB 4.48Å; I48-F68 HydrophobicContact CB-CD2 4.1Å; I48-F68 HydrophobicContact CD1-CD2 3.72Å; I48-F68 HydrophobicContact CD1-CE2 3.89Å; I48-F68 HydrophobicContact CG2-CB 4.32Å; I48-F68 HydrophobicContact CG2-CD2 4.04Å
49	G	86.8	Confident	84.9	Confident	0 Å²	0	40.4 Å²	40.4	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	135	167.2	0	0	0	0	0	109	C42	C42-G49 PolarHBondContact N-O 3.42Å; C42-G49 PolarHBondContact O-N 2.86Å
50	L	88.3	Confident	85	Confident	2 Å²	2	40.2 Å²	40.2	1%	0.01	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126	144.2	-175.6	-57.6	172.6	0	0	0	110.7	L39 S40 V41 I48 Y62 M63 W74 L75	L39-L50 HydrophobicContact CD1-CB 4.3Å; L39-L50 HydrophobicContact CD1-CD2 4.41Å; S40-L50 WeakPolarHBondContact O-CA 3.12Å; V41-L50 HydrophobicContact CB-CD2 3.91Å; V41-L50 HydrophobicContact CG1-CD2 3.67Å; V41-L50 HydrophobicContact CG2-CD2 3.58Å; I48-L50 HydrophobicContact CD1-CD2 3.9Å; I48-L50 HydrophobicContact CD1-CG 4.34Å; I48-L50 HydrophobicContact CG1-CD2 3.88Å; I48-L50 HydrophobicContact CG1-CG 4.08Å; L50-Y62 CarbonylContact O-C 3.53Å; L50-Y62 WeakPolarHBondContact O-CA 3.25Å; L50-M63 HydrophobicContact CB-CB 3.92Å; L50-M63 HydrophobicContact CD1-CB 4.27Å; L50-M63 HydrophobicContact CD1-CE 3.49Å; L50-M63 VanDerWaalsContact CD1-CE 3.49Å; L50-M63 HydrophobicContact CD1-SD 4.01Å; L50-M63 HydrophobicContact CG-CB 4.37Å; L50-M63 HydrophobicContact CG-CE 3.81Å; L50-M63 PolarHBondContact N-O 2.92Å; L50-M63 PolarHBondContact O-N 2.84Å; L50-W74 HydrophobicContact CD1-CH2 4.07Å; L50-L75 HydrophobicContact CD1-CD1 3.57Å
51	V	90.9	Very high	85	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	121.9	168.8	174.2	0	0	0	0	108.1	L39 S40 L60 Q61 V163 A166 L167 L170	L39-V51 CarbonylContact C-O 3.53Å; L39-V51 WeakPolarHBondContact CA-O 3.34Å; S40-V51 PolarHBondContact N-O 3.21Å; S40-V51 PolarHBondContact O-N 3.14Å; V51-L60 HydrophobicContact CG1-CD1 3.34Å; V51-L60 HydrophobicContact CG1-CD2 4.39Å; V51-L60 HydrophobicContact CG1-CG 3.95Å; V51-Q61 CarbonylContact C-O 3.5Å; V51-Q61 WeakPolarHBondContact CA-O 3.35Å; V51-V163 HydrophobicContact CG2-CG1 3.81Å; V51-V163 WeakPolarHBondContact CG2-O 3.38Å; V51-A166 HydrophobicContact CB-CB 4.23Å; V51-A166 HydrophobicContact CG2-CB 3.91Å; V51-L167 HydrophobicContact CG1-CD1 4.25Å; V51-L167 HydrophobicContact CG2-CB 4.22Å; V51-L170 HydrophobicContact CG1-CD2 4.06Å
52	L	89.4	Confident	85.1	Confident	18 Å²	18	42.9 Å²	42.9	9%	0.094	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.4	174.7	178.7	70.8	0	0	0	108.4	L37 Y38 L39 Q61 L85 L198	L37-L52 HydrophobicContact CB-CD1 4.26Å; Y38-L52 CarbonylContact O-C 3.5Å; Y38-L52 WeakPolarHBondContact O-CA 3.44Å; L39-L52 HydrophobicContact CB-CD1 4.02Å; L39-L52 HydrophobicContact CD1-CB 4.09Å; L39-L52 HydrophobicContact CD1-CD1 4.27Å; L52-Q61 HydrophobicContact CB-CB 4.26Å; L52-Q61 PolarHBondContact N-O 2.91Å; L52-Q61 PolarHBondContact O-N 3.32Å; L52-L85 HydrophobicContact CD1-CD1 3.91Å; L52-L198 HydrophobicContact CB-CD1 4.01Å; L52-L198 HydrophobicContact CD2-CD1 3.87Å
53	W	89.6	Confident	85	Confident	16 Å²	16	42.9 Å²	42.9	6%	0.061	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.2	176.2	178.5	64.4	0	0	0	110.9	Y38 P55 L60 L170 L174 L190	Y38-W53 AromaticContact CD2-CE3 3.6Å; Y38-W53 HydrophobicContact CD2-CE3 3.6Å; Y38-W53 AromaticContact CD2-CZ3 3.79Å; Y38-W53 HydrophobicContact CD2-CZ3 3.79Å; Y38-W53 HydrophobicContact CE2-CE3 4.26Å; Y38-W53 AromaticContact CE2-CZ3 3.97Å; Y38-W53 HydrophobicContact CE2-CZ3 3.97Å; Y38-W53 HydrophobicContact CG-CE3 4.28Å; Y38-W53 PolarHBondContact N-O 2.88Å; Y38-W53 PolarHBondContact O-N 2.95Å; W53-P55 HydrophobicContact CE3-CB 4.4Å; W53-P55 HydrophobicContact CH2-CB 3.68Å; W53-P55 HydrophobicContact CZ2-CB 4.07Å; W53-P55 HydrophobicContact CZ3-CB 3.84Å; W53-P55 HydrophobicContact CZ3-CG 4.49Å; W53-L60 HydrophobicContact CB-CD1 3.9Å; W53-L60 HydrophobicContact CG-CD1 4.33Å; W53-L170 HydrophobicContact CB-CD1 4.34Å; W53-L170 HydrophobicContact CB-CD2 3.48Å; W53-L170 VanDerWaalsContact CB-CD2 3.48Å; W53-L170 HydrophobicContact CE3-CD1 4.37Å; W53-L170 HydrophobicContact CG-CD2 4.09Å; W53-L174 HydrophobicContact CD2-CD1 4.35Å; W53-L174 HydrophobicContact CE3-CD1 3.82Å; W53-L174 HydrophobicContact CE3-CD2 4.11Å; W53-L174 HydrophobicContact CH2-CD1 3.94Å; W53-L174 HydrophobicContact CH2-CD2 4.14Å; W53-L174 HydrophobicContact CZ2-CD1 4.46Å; W53-L174 HydrophobicContact CZ3-CD1 3.61Å; W53-L174 HydrophobicContact CZ3-CD2 3.45Å; W53-L174 VanDerWaalsContact CZ3-CD2 3.45Å; W53-L174 HydrophobicContact CZ3-CG 4.18Å; W53-L190 HydrophobicContact CD2-CD1 3.77Å; W53-L190 HydrophobicContact CE3-CD1 4.47Å; W53-L190 HydrophobicContact CG-CD1 4.01Å; W53-L190 HydrophobicContact CH2-CD1 4.46Å; W53-L190 HydrophobicContact CZ2-CD1 3.77Å
54	N	86.8	Confident	84.8	Confident	49 Å²	49	42.9 Å²	42.9	26%	0.262	21%	0.211	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	110.9	175.4	-176.5	-27.1	0	0	0	109.5	L37 Y56 T57 H58 I59	L37-N54 HydrophobicContact CD2-CB 3.67Å; N54-Y56 PolarHBondContact O-N 3.34Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.25Å; N54-Y56 PolarHBondContact OD1-N 3.4Å; N54-T57 WeakPolarHBondContact CB-OG1 3.34Å; N54-T57 VanDerWaalsContact CG-OG1 3.32Å; N54-T57 PolarHBondContact OD1-N 2.9Å; N54-H58 VanDerWaalsContact O-CA 3.28Å; N54-H58 WeakPolarHBondContact O-CA 3.46Å; N54-H58 PolarHBondContact O-N 3.47Å; N54-I59 PolarHBondContact N-O 2.9Å
55	P	82	Confident	84.9	Confident	35 Å²	35	42 Å²	42	23%	0.227	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.7	-177.7	26	-33.9	0	0	0	114	Q36 W53 H58	Q36-P55 WeakPolarHBondContact O-CD 3.38Å; Q36-P55 WeakPolarHBondContact O-CG 3.36Å; W53-P55 HydrophobicContact CE3-CB 4.4Å; W53-P55 HydrophobicContact CH2-CB 3.68Å; W53-P55 HydrophobicContact CZ2-CB 4.07Å; W53-P55 HydrophobicContact CZ3-CB 3.84Å; W53-P55 HydrophobicContact CZ3-CG 4.49Å; P55-H58 PolarHBondContact O-CE1 2.99Å; P55-H58 PolarHBondContact O-NE2 2.9Å
56	Y	81.6	Confident	84.9	Confident	142 Å²	142	36 Å²	36	56%	0.557	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-44.7	179.3	-176.8	-93.7	0	0	0	111.9	N54	N54-Y56 PolarHBondContact O-N 3.34Å; N54-Y56 WeakPolarHBondContact OD1-CB 3.25Å; N54-Y56 PolarHBondContact OD1-N 3.4Å
57	T	84	Confident	84.9	Confident	55 Å²	55	33.5 Å²	33.5	34%	0.337	17%	0.173	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.3	-14	180	62.4	0	0	0	0	112.5	N54 I59	N54-T57 WeakPolarHBondContact CB-OG1 3.34Å; N54-T57 VanDerWaalsContact CG-OG1 3.32Å; N54-T57 PolarHBondContact OD1-N 2.9Å; T57-I59 HydrophobicContact CG2-CD1 4.48Å; T57-I59 PolarHBondContact O-N 2.97Å; T57-I59 WeakPolarHBondContact OG1-CB 3.32Å; T57-I59 WeakPolarHBondContact OG1-CG1 3.39Å; T57-I59 PolarHBondContact OG1-N 3.28Å
58	H	86.4	Confident	84.1	Confident	63 Å²	63	32.4 Å²	32.4	29%	0.292	17%	0.168	S	C	.	.	T	Hydrogen-bonded Turn	trans	54.6	25.8	-170.3	-62.7	-83.5	0	0	0	112.6	N54 P55 D191 I192 V193	N54-H58 VanDerWaalsContact O-CA 3.28Å; N54-H58 WeakPolarHBondContact O-CA 3.46Å; N54-H58 PolarHBondContact O-N 3.47Å; P55-H58 PolarHBondContact O-CE1 2.99Å; P55-H58 PolarHBondContact O-NE2 2.9Å; H58-D191 WeakPolarHBondContact CB-O 3.25Å; H58-D191 PolarHBondContact ND1-O 3.37Å; H58-I192 CarbonylContact O-C 3.59Å; H58-I192 WeakPolarHBondContact O-CA 3.23Å; H58-V193 HydrophobicContact CB-CB 3.99Å; H58-V193 HydrophobicContact CB-CG2 3.56Å; H58-V193 PolarHBondContact O-N 3.43Å
59	I	87.7	Confident	82.7	Confident	35 Å²	35	33.8 Å²	33.8	18%	0.179	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	129.4	178.3	-60.6	173.2	0	0	0	108.3	N54 T57 Q61 D194 Q196	N54-I59 PolarHBondContact N-O 2.9Å; T57-I59 HydrophobicContact CG2-CD1 4.48Å; T57-I59 PolarHBondContact O-N 2.97Å; T57-I59 WeakPolarHBondContact OG1-CB 3.32Å; T57-I59 WeakPolarHBondContact OG1-CG1 3.39Å; T57-I59 PolarHBondContact OG1-N 3.28Å; I59-Q61 HydrophobicContact CG2-CG 4.09Å; I59-D194 HydrophobicContact CG1-CB 4.33Å; I59-Q196 HydrophobicContact CG2-CG 4.15Å
60	L	91.2	Very high	80.8	Confident	0 Å²	0	38.6 Å²	38.6	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	117.3	172.2	-169.3	74.4	0	0	0	109.2	V51 W53 F156 L167 L170 I192 D194 V195 Q196	V51-L60 HydrophobicContact CG1-CD1 3.34Å; V51-L60 HydrophobicContact CG1-CD2 4.39Å; V51-L60 HydrophobicContact CG1-CG 3.95Å; W53-L60 HydrophobicContact CB-CD1 3.9Å; W53-L60 HydrophobicContact CG-CD1 4.33Å; L60-F156 HydrophobicContact CD2-CE1 4.34Å; L60-F156 HydrophobicContact CD2-CZ 3.91Å; L60-L167 HydrophobicContact CD1-CD1 4.2Å; L60-L167 HydrophobicContact CD2-CD1 3.91Å; L60-L170 HydrophobicContact CD1-CD2 4.02Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 4.06Å; L60-D194 PolarHBondContact N-O 2.89Å; L60-V195 HydrophobicContact CB-CG2 4.27Å; L60-V195 HydrophobicContact CD2-CG2 4.38Å; L60-V195 CarbonylContact O-C 3.57Å; L60-V195 VanDerWaalsContact O-CA 3.28Å; L60-V195 WeakPolarHBondContact O-CA 3.46Å; L60-Q196 PolarHBondContact O-N 2.66Å
61	Q	89.8	Confident	78.8	Confident	63 Å²	63	43.4 Å²	43.4	29%	0.294	23%	0.225	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.7	141.9	173.5	-63	-175.3	-39.1	0	0	110	V51 L52 I59 Q196 L198	V51-Q61 CarbonylContact C-O 3.5Å; V51-Q61 WeakPolarHBondContact CA-O 3.35Å; L52-Q61 HydrophobicContact CB-CB 4.26Å; L52-Q61 PolarHBondContact N-O 2.91Å; L52-Q61 PolarHBondContact O-N 3.32Å; I59-Q61 HydrophobicContact CG2-CG 4.09Å; Q61-Q196 CarbonylContact C-O 3.39Å; Q61-Q196 VanDerWaalsContact CA-O 3.22Å; Q61-Q196 WeakPolarHBondContact CA-O 3.42Å; Q61-Q196 HydrophobicContact CG-CB 4.29Å; Q61-L198 HydrophobicContact CB-CB 4.19Å; Q61-L198 HydrophobicContact CB-CD1 3.98Å
62	Y	90.2	Very high	76.9	Confident	0 Å²	0	44.1 Å²	44.1	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137	145	-179.3	71.6	-85	0	0	0	112.5	L50 P64 F156 P157 V163 V195 Q196 L197 L198 N646	L50-Y62 CarbonylContact O-C 3.53Å; L50-Y62 WeakPolarHBondContact O-CA 3.25Å; Y62-P64 HydrophobicContact CD2-CG 4.19Å; Y62-P64 HydrophobicContact CE2-CG 3.85Å; Y62-F156 AromaticContact CD1-CD1 3.72Å; Y62-F156 HydrophobicContact CD1-CD1 3.72Å; Y62-F156 AromaticContact CD1-CE1 3.71Å; Y62-F156 HydrophobicContact CD1-CE1 3.71Å; Y62-F156 AromaticContact CD2-CD1 3.75Å; Y62-F156 HydrophobicContact CD2-CD1 3.75Å; Y62-F156 HydrophobicContact CD2-CE1 4.37Å; Y62-F156 HydrophobicContact CE1-CD1 4.06Å; Y62-F156 HydrophobicContact CE1-CE1 4.37Å; Y62-F156 HydrophobicContact CE2-CD1 4.08Å; Y62-F156 AromaticContact CG-CD1 3.56Å; Y62-F156 HydrophobicContact CG-CD1 3.56Å; Y62-F156 AromaticContact CG-CE1 3.72Å; Y62-F156 HydrophobicContact CG-CE1 3.72Å; Y62-P157 HydrophobicContact CE2-CG 4.31Å; Y62-V163 HydrophobicContact CD2-CG1 4.22Å; Y62-V163 HydrophobicContact CD2-CG2 4.45Å; Y62-V163 HydrophobicContact CG-CG1 4.3Å; Y62-V195 HydrophobicContact CD1-CG1 3.73Å; Y62-V195 HydrophobicContact CE1-CG1 3.8Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.4Å; Y62-Q196 WeakPolarHBondContact CE1-O 3.3Å; Y62-Q196 PolarHBondContact N-O 3.38Å; Y62-L197 HydrophobicContact CD2-CD1 4.5Å; Y62-L197 HydrophobicContact CE2-CD1 3.97Å; Y62-L198 WeakPolarHBondContact O-CB 3.22Å; Y62-L198 PolarHBondContact O-N 3.44Å; Y62-N646 PolarHBondContact OH-ND2 2.84Å
63	M	85.5	Confident	75	Confident	7 Å²	7	50.4 Å²	50.4	3%	0.034	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	117.7	169.1	-169.5	-178.2	72.8	0	0	109.5	I48 L50 S66 W74 V163 L198	I48-M63 HydrophobicContact CG2-CE 3.62Å; L50-M63 HydrophobicContact CB-CB 3.92Å; L50-M63 HydrophobicContact CD1-CB 4.27Å; L50-M63 HydrophobicContact CD1-CE 3.49Å; L50-M63 VanDerWaalsContact CD1-CE 3.49Å; L50-M63 HydrophobicContact CD1-SD 4.01Å; L50-M63 HydrophobicContact CG-CB 4.37Å; L50-M63 HydrophobicContact CG-CE 3.81Å; L50-M63 PolarHBondContact N-O 2.92Å; L50-M63 PolarHBondContact O-N 2.84Å; M63-S66 WeakPolarHBondContact CE-OG 3.42Å; M63-W74 HydrophobicContact CE-CZ2 4.3Å; M63-W74 HydrophobicContact SD-CH2 3.48Å; M63-W74 WeakPolarHBondContact SD-CH2 3.43Å; M63-W74 HydrophobicContact SD-CZ2 3.37Å; M63-W74 WeakPolarHBondContact SD-CZ2 3.21Å; M63-V163 WeakPolarHBondContact O-CG2 3.38Å; M63-L198 HydrophobicContact CB-CB 4.45Å; M63-L198 HydrophobicContact CB-CD2 4.38Å
64	P	81.4	Confident	73.3	Confident	21 Å²	21	50.8 Å²	50.8	14%	0.136	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-52.4	151.1	175.9	-28.9	36.4	0	0	0	112.8	Y62 S66 P157 L197 F205	Y62-P64 HydrophobicContact CD2-CG 4.19Å; Y62-P64 HydrophobicContact CE2-CG 3.85Å; P64-S66 PolarHBondContact O-N 3.04Å; P64-P157 HydrophobicContact CB-CG 4.4Å; P64-P157 HydrophobicContact CG-CG 4.18Å; P64-L197 HydrophobicContact CG-CD1 3.58Å; P64-F205 HydrophobicContact CB-CE2 4.49Å; P64-F205 HydrophobicContact CG-CE2 3.76Å; P64-F205 HydrophobicContact CG-CZ 4.09Å
65	D	84.2	Confident	71.7	Confident	14 Å²	14	49.8 Å²	49.8	8%	0.075	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.3	101.8	179.5	-64.2	17.2	0	0	0	111.9	I48 S160 K161 L162 V163 K208	I48-D65 WeakPolarHBondContact O-CA 3.46Å; D65-S160 VanDerWaalsContact OD1-CA 3.29Å; D65-S160 WeakPolarHBondContact OD1-CA 3.28Å; D65-S160 WeakPolarHBondContact OD2-CA 3.42Å; D65-K161 PolarHBondContact OD2-N 3.4Å; D65-L162 HydrophobicContact CB-CD1 4.44Å; D65-L162 VanDerWaalsContact CG-N 3.35Å; D65-L162 WeakPolarHBondContact OD1-CB 3.27Å; D65-L162 PolarHBondContact OD1-N 2.95Å; D65-L162 VanDerWaalsContact OD1-N 3.13Å; D65-L162 WeakPolarHBondContact OD2-CG 3.21Å; D65-L162 PolarHBondContact OD2-N 3.01Å; D65-V163 PolarHBondContact OD1-N 3.25Å; D65-K208 PolarHBondContact O-NZ 3.38Å; D65-K208 VanDerWaalsContact O-NZ 3.14Å
66	S	74.7	Confident	70.4	Confident	24 Å²	24	52.4 Å²	52.4	17%	0.168	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	155.2	-177.8	68	0	0	0	0	111.3	K47 I48 M63 P64	K47-S66 CarbonylContact C-O 3.46Å; K47-S66 WeakPolarHBondContact CA-O 3.44Å; K47-S66 WeakPolarHBondContact CB-O 3.35Å; I48-S66 PolarHBondContact N-O 2.74Å; I48-S66 PolarHBondContact O-N 2.84Å; I48-S66 VanDerWaalsContact O-N 3.11Å; M63-S66 WeakPolarHBondContact CE-OG 3.42Å; P64-S66 PolarHBondContact O-N 3.04Å
67	P	69.6	Low	68.8	Low	96 Å²	96	51.9 Å²	51.9	62%	0.623	26%	0.262	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-56.4	140.8	168.6	-18.9	31.3	0	0	0	110.7
68	F	62.9	Low	67.2	Low	38 Å²	38	51.1 Å²	51.1	17%	0.167	26%	0.26	C	S	.	.			trans	-83.1	123.8	176	-175.5	-105.6	0	0	0	110.1	E46 I48 L75 F96 I97 I100	E46-F68 PolarHBondContact O-N 2.97Å; I48-F68 HydrophobicContact CB-CB 4.48Å; I48-F68 HydrophobicContact CB-CD2 4.1Å; I48-F68 HydrophobicContact CD1-CD2 3.72Å; I48-F68 HydrophobicContact CD1-CE2 3.89Å; I48-F68 HydrophobicContact CG2-CB 4.32Å; I48-F68 HydrophobicContact CG2-CD2 4.04Å; F68-L75 HydrophobicContact CE2-CD2 4.42Å; F68-F96 AromaticContact CD1-CE1 3.75Å; F68-F96 HydrophobicContact CD1-CE1 3.75Å; F68-F96 HydrophobicContact CD1-CZ 4.41Å; F68-F96 HydrophobicContact CE1-CE1 4.15Å; F68-F96 HydrophobicContact CG-CE1 4.32Å; F68-I97 HydrophobicContact CZ-CG1 4.39Å; F68-I100 HydrophobicContact CD1-CD1 4.12Å; F68-I100 HydrophobicContact CE1-CD1 3.88Å; F68-I100 HydrophobicContact CE1-CG2 4.03Å
69	S	54.5	Low	65.5	Low	31 Å²	31	48.4 Å²	48.4	22%	0.217	25%	0.247	C	C	.	.			trans	-121.3	130.8	175.6	127	0	0	0	0	110.1	E71 D72	S69-E71 PolarHBondContact O-N 3.44Å; S69-E71 PolarHBondContact OG-N 2.82Å; S69-D72 VanDerWaalsContact O-CB 3.3Å; S69-D72 WeakPolarHBondContact O-CB 3.06Å; S69-D72 PolarHBondContact O-N 3.29Å; S69-D72 PolarHBondContact OG-OD1 2.88Å
70	L	46.9	Very low	63.7	Low	102 Å²	102	48.9 Å²	48.9	53%	0.534	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-56.5	-32	175.4	-106.5	154.6	0	0	0	113.7	D72 I100	L70-D72 PolarHBondContact O-N 3.33Å; L70-I100 HydrophobicContact CD1-CG2 3.46Å; L70-I100 VanDerWaalsContact CD1-CG2 3.46Å; L70-I100 HydrophobicContact CD2-CG2 3.42Å; L70-I100 VanDerWaalsContact CD2-CG2 3.42Å; L70-I100 HydrophobicContact CG-CG2 3.18Å
71	E	44.8	Very low	61.7	Low	102 Å²	102	52.5 Å²	52.5	48%	0.477	27%	0.273	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.2	5.4	-175.8	-67.7	-174.1	165.5	0	0	113.1	S69 K73 K258	S69-E71 PolarHBondContact O-N 3.44Å; S69-E71 PolarHBondContact OG-N 2.82Å; E71-K73 PolarHBondContact O-N 2.88Å; E71-K258 IonicContact OE2-NZ 3.21Å; E71-K258 PolarHBondContact OE2-NZ 3.13Å
72	D	51.9	Low	60.1	Low	15 Å²	15	52.9 Å²	52.9	8%	0.08	28%	0.277	C	S	.	.			trans	-69	66.4	170	-77	11.7	0	0	0	109.2	S69 L70 W74 L75 K76 R200	S69-D72 VanDerWaalsContact O-CB 3.3Å; S69-D72 WeakPolarHBondContact O-CB 3.06Å; S69-D72 PolarHBondContact O-N 3.29Å; S69-D72 PolarHBondContact OG-OD1 2.88Å; L70-D72 PolarHBondContact O-N 3.33Å; D72-W74 VanDerWaalsContact CB-NE1 3.31Å; D72-W74 PolarHBondContact O-N 2.94Å; D72-W74 VanDerWaalsContact O-N 3.11Å; D72-W74 PolarHBondContact OD2-NE1 3.2Å; D72-L75 HydrophobicContact CB-CB 4.22Å; D72-L75 WeakPolarHBondContact O-CB 3.28Å; D72-L75 PolarHBondContact O-N 3.12Å; D72-K76 PolarHBondContact O-N 3.44Å; D72-R200 VanDerWaalsContact CG-NH2 3.27Å; D72-R200 IonicContact OD1-CZ 2.76Å; D72-R200 IonicContact OD1-NH1 3.3Å; D72-R200 PolarHBondContact OD1-NH1 2.7Å; D72-R200 IonicContact OD1-NH2 3.67Å; D72-R200 PolarHBondContact OD1-NH2 3.19Å; D72-R200 IonicContact OD2-CZ 3.94Å; D72-R200 VanDerWaalsContact OD2-CZ 3.27Å; D72-R200 IonicContact OD2-NH1 3.31Å; D72-R200 PolarHBondContact OD2-NH1 2.77Å; D72-R200 IonicContact OD2-NH2 3.33Å; D72-R200 PolarHBondContact OD2-NH2 3.26Å
73	K	48.7	Very low	58.3	Low	151 Å²	151	57.8 Å²	57.8	66%	0.657	30%	0.303	S	S	*	.	H	α-helix	trans	-49.9	-32.2	169.2	-73.4	-179.3	-178.9	172.4	0	109.7	E71 K76 Q77	E71-K73 PolarHBondContact O-N 2.88Å; K73-K76 CarbonylContact O-C 3.57Å; K73-K76 WeakPolarHBondContact O-CA 3.25Å; K73-K76 WeakPolarHBondContact O-CB 3.34Å; K73-K76 PolarHBondContact O-N 3.16Å; K73-Q77 VanDerWaalsContact O-CB 3.27Å; K73-Q77 WeakPolarHBondContact O-CB 3.15Å; K73-Q77 VanDerWaalsContact O-CG 3.26Å; K73-Q77 WeakPolarHBondContact O-CG 3.49Å; K73-Q77 PolarHBondContact O-N 2.94Å
74	W	53.3	Low	57.6	Low	23 Å²	23	63 Å²	63	9%	0.087	32%	0.323	C	S	.	.	H	α-helix	trans	-59	-45.6	173.7	82.6	-89.7	0	0	0	111.4	L50 M63 D72 K76 Q77 S78 L79 L198 R200	L50-W74 HydrophobicContact CD1-CH2 4.07Å; M63-W74 HydrophobicContact CE-CZ2 4.3Å; M63-W74 HydrophobicContact SD-CH2 3.48Å; M63-W74 WeakPolarHBondContact SD-CH2 3.43Å; M63-W74 HydrophobicContact SD-CZ2 3.37Å; M63-W74 WeakPolarHBondContact SD-CZ2 3.21Å; D72-W74 VanDerWaalsContact CB-NE1 3.31Å; D72-W74 PolarHBondContact O-N 2.94Å; D72-W74 VanDerWaalsContact O-N 3.11Å; D72-W74 PolarHBondContact OD2-NE1 3.2Å; W74-K76 PolarHBondContact O-N 3.48Å; W74-Q77 PolarHBondContact O-N 2.94Å; W74-S78 VanDerWaalsContact CE3-OG 3.28Å; W74-S78 WeakPolarHBondContact O-CB 3.24Å; W74-S78 PolarHBondContact O-N 3.38Å; W74-S78 PolarHBondContact O-OG 3.41Å; W74-L79 HydrophobicContact CZ3-CD1 4.39Å; W74-L198 HydrophobicContact CH2-CD2 3.8Å; W74-L198 HydrophobicContact CZ3-CD2 3.63Å; W74-R200 HydrophobicContact CD2-CG 4.03Å; W74-R200 HydrophobicContact CH2-CG 4.37Å; W74-R200 HydrophobicContact CZ2-CG 3.88Å; W74-R200 VanDerWaalsContact NE1-NE 3.14Å
75	L	54.3	Low	57.4	Low	28 Å²	28	62.1 Å²	62.1	15%	0.147	32%	0.317	C	S	.	.	I	π-helix	trans	-57.4	-43.9	177.9	-162.1	87.7	0	0	0	108.9	L50 F68 D72 L79 F80	L50-L75 HydrophobicContact CD1-CD1 3.57Å; F68-L75 HydrophobicContact CE2-CD2 4.42Å; D72-L75 HydrophobicContact CB-CB 4.22Å; D72-L75 WeakPolarHBondContact O-CB 3.28Å; D72-L75 PolarHBondContact O-N 3.12Å; L75-L79 HydrophobicContact CD1-CD1 3.41Å; L75-L79 VanDerWaalsContact CD1-CD1 3.41Å; L75-L79 HydrophobicContact CG-CD1 3.76Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 PolarHBondContact O-N 2.98Å; L75-F80 WeakPolarHBondContact O-CD2 3.3Å; L75-F80 WeakPolarHBondContact O-CE2 3.4Å
76	K	54.5	Low	57.2	Low	91 Å²	91	61.4 Å²	61.4	40%	0.396	31%	0.313	S	S	.	.	I	π-helix	trans	-65.7	-39.1	174.9	-75.2	-176.8	178.5	171.8	0	114.4	D72 K73 W74 F80	D72-K76 PolarHBondContact O-N 3.44Å; K73-K76 CarbonylContact O-C 3.57Å; K73-K76 WeakPolarHBondContact O-CA 3.25Å; K73-K76 WeakPolarHBondContact O-CB 3.34Å; K73-K76 PolarHBondContact O-N 3.16Å; W74-K76 PolarHBondContact O-N 3.48Å; K76-F80 HydrophobicContact CB-CD2 4.48Å; K76-F80 HydrophobicContact CG-CE2 4.46Å; K76-F80 VanDerWaalsContact O-CB 3.27Å; K76-F80 WeakPolarHBondContact O-CB 3.47Å; K76-F80 VanDerWaalsContact O-CD2 3.26Å; K76-F80 WeakPolarHBondContact O-CD2 3.49Å
77	Q	48.4	Very low	57.6	Low	130 Å²	130	60.6 Å²	60.6	61%	0.607	31%	0.307	S	S	*	.	I	π-helix	trans	-91	-39	-171.5	-74.5	174.1	-18.7	0	0	112.9	K73 W74 S81	K73-Q77 VanDerWaalsContact O-CB 3.27Å; K73-Q77 WeakPolarHBondContact O-CB 3.15Å; K73-Q77 VanDerWaalsContact O-CG 3.26Å; K73-Q77 WeakPolarHBondContact O-CG 3.49Å; K73-Q77 PolarHBondContact O-N 2.94Å; W74-Q77 PolarHBondContact O-N 2.94Å; Q77-S81 VanDerWaalsContact O-CB 3.25Å; Q77-S81 WeakPolarHBondContact O-CB 3.41Å; Q77-S81 PolarHBondContact O-OG 2.9Å
78	S	49.4	Very low	58.5	Low	40 Å²	40	56 Å²	56	28%	0.28	28%	0.277	S	S	.	.	I	π-helix	trans	-87.9	-31.2	-173.5	72.6	0	0	0	0	113.1	W74 S81	W74-S78 VanDerWaalsContact CE3-OG 3.28Å; W74-S78 WeakPolarHBondContact O-CB 3.24Å; W74-S78 PolarHBondContact O-N 3.38Å; W74-S78 PolarHBondContact O-OG 3.41Å; S78-S81 PolarHBondContact O-OG 2.75Å
79	L	51.8	Low	59.6	Low	6 Å²	6	54.2 Å²	54.2	3%	0.031	27%	0.269	C	S	.	.	I	π-helix	trans	-90	-43	178.2	-65.1	163.1	0	0	0	111.2	L39 W74 L75 S81 L85	L39-L79 HydrophobicContact CD1-CD1 4.46Å; L39-L79 HydrophobicContact CD1-CD2 4.03Å; L39-L79 HydrophobicContact CD2-CB 4.49Å; L39-L79 HydrophobicContact CD2-CD1 3.73Å; L39-L79 HydrophobicContact CD2-CD2 4.03Å; L39-L79 HydrophobicContact CD2-CG 4.3Å; W74-L79 HydrophobicContact CZ3-CD1 4.39Å; L75-L79 HydrophobicContact CD1-CD1 3.41Å; L75-L79 VanDerWaalsContact CD1-CD1 3.41Å; L75-L79 HydrophobicContact CG-CD1 3.76Å; L75-L79 WeakPolarHBondContact O-CB 3.37Å; L75-L79 PolarHBondContact O-N 2.98Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.24Å; L79-L85 HydrophobicContact CB-CD2 4.04Å; L79-L85 WeakPolarHBondContact O-CD2 3.38Å
80	F	50.7	Low	61.1	Low	44 Å²	44	53 Å²	53	19%	0.193	26%	0.261	C	S	.	.	T	Hydrogen-bonded Turn	trans	-85.3	3.4	-174.9	-51.1	-105.1	0	0	0	114.2	L75 K76 N82 I87 F106 I112	L75-F80 WeakPolarHBondContact O-CD2 3.3Å; L75-F80 WeakPolarHBondContact O-CE2 3.4Å; K76-F80 HydrophobicContact CB-CD2 4.48Å; K76-F80 HydrophobicContact CG-CE2 4.46Å; K76-F80 VanDerWaalsContact O-CB 3.27Å; K76-F80 WeakPolarHBondContact O-CB 3.47Å; K76-F80 VanDerWaalsContact O-CD2 3.26Å; K76-F80 WeakPolarHBondContact O-CD2 3.49Å; F80-N82 VanDerWaalsContact C-N 3.26Å; F80-I87 HydrophobicContact CE1-CD1 3.9Å; F80-I87 HydrophobicContact CZ-CD1 4.35Å; F80-F106 HydrophobicContact CE1-CE1 4.31Å; F80-F106 HydrophobicContact CE1-CZ 4.27Å; F80-F106 HydrophobicContact CZ-CZ 4.08Å; F80-I112 HydrophobicContact CB-CD1 3.8Å; F80-I112 HydrophobicContact CD1-CD1 3.49Å; F80-I112 VanDerWaalsContact CD1-CD1 3.49Å; F80-I112 HydrophobicContact CG-CD1 4.07Å
81	S	47.8	Very low	62.9	Low	76 Å²	76	52.8 Å²	52.8	53%	0.531	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-13	169.4	55.2	0	0	0	0	113.4	Q77 S78 L79	Q77-S81 VanDerWaalsContact O-CB 3.25Å; Q77-S81 WeakPolarHBondContact O-CB 3.41Å; Q77-S81 PolarHBondContact O-OG 2.9Å; S78-S81 PolarHBondContact O-OG 2.75Å; L79-S81 VanDerWaalsContact C-N 3.3Å; L79-S81 PolarHBondContact O-N 3.24Å
82	N	55.9	Low	64.7	Low	71 Å²	71	51 Å²	51	38%	0.38	25%	0.254	S	S	.	.			trans	-93.7	108.7	178.1	-73.6	-46.8	0	0	0	110.2	L37 F80 R84 L85	L37-N82 HydrophobicContact CD1-CB 4.41Å; F80-N82 VanDerWaalsContact C-N 3.26Å; N82-R84 PolarHBondContact O-N 3.31Å; N82-L85 HydrophobicContact CB-CB 4.47Å; N82-L85 PolarHBondContact O-N 2.51Å
83	D	53.4	Low	66.1	Low	103 Å²	103	50.6 Å²	50.6	55%	0.551	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	7.1	177.7	-65.6	-16.5	0	0	0	114.5	S110 G111	D83-S110 VanDerWaalsContact OD1-CB 3.29Å; D83-S110 WeakPolarHBondContact OD1-CB 3.44Å; D83-G111 CarbonylContact O-C 3.54Å; D83-G111 WeakPolarHBondContact O-CA 3.24Å
84	R	71.7	Confident	67.6	Low	118 Å²	118	45.2 Å²	45.2	45%	0.445	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.2	31.2	-175	-60.4	-173.7	-178.7	169.8	-5.8	113.1	E34 Q36 L37 N82	E34-R84 IonicContact OE1-NH1 2.64Å; E34-R84 IonicContact OE2-CZ 3.6Å; E34-R84 IonicContact OE2-NH1 2.89Å; E34-R84 PolarHBondContact OE2-NH1 3.02Å; E34-R84 IonicContact OE2-NH2 3.69Å; E34-R84 PolarHBondContact OE2-NH2 3.37Å; Q36-R84 WeakPolarHBondContact CA-O 3.36Å; L37-R84 PolarHBondContact N-O 2.78Å; L37-R84 VanDerWaalsContact N-O 3.07Å; N82-R84 PolarHBondContact O-N 3.31Å
85	L	77.1	Confident	68.7	Low	1 Å²	1	50 Å²	50	1%	0.005	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.6	126.3	175.7	-173.9	69.5	0	0	0	110.6	L37 L39 L52 L79 N82 I87 I112 Q113	L37-L85 HydrophobicContact CB-CD1 3.73Å; L39-L85 HydrophobicContact CB-CD1 3.85Å; L39-L85 HydrophobicContact CB-CD2 4.36Å; L39-L85 HydrophobicContact CB-CG 4.3Å; L39-L85 HydrophobicContact CD2-CD2 4.17Å; L52-L85 HydrophobicContact CD1-CD1 3.91Å; L79-L85 HydrophobicContact CB-CD2 4.04Å; L79-L85 WeakPolarHBondContact O-CD2 3.38Å; N82-L85 HydrophobicContact CB-CB 4.47Å; N82-L85 PolarHBondContact O-N 2.51Å; L85-I87 HydrophobicContact CD2-CD1 4.15Å; L85-I87 HydrophobicContact CD2-CG1 3.85Å; L85-I87 HydrophobicContact CG-CG1 4.07Å; L85-I112 HydrophobicContact CB-CG1 4.28Å; L85-I112 WeakPolarHBondContact O-CA 3.38Å; L85-Q113 PolarHBondContact O-N 3.42Å
86	V	80.1	Confident	69.6	Low	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113.8	168.3	-177.7	0	0	0	0	108.3	Q36 L37 Y38 L39 L88 Q113 E115	Q36-V86 HydrophobicContact CB-CG2 3.92Å; Q36-V86 HydrophobicContact CG-CG2 4.23Å; L37-V86 PolarHBondContact O-N 3.01Å; Y38-V86 HydrophobicContact CD1-CB 3.91Å; Y38-V86 HydrophobicContact CD1-CG1 4.08Å; Y38-V86 HydrophobicContact CE1-CB 4.13Å; Y38-V86 HydrophobicContact CE1-CG1 4.19Å; Y38-V86 HydrophobicContact CE1-CG2 4.3Å; L39-V86 PolarHBondContact N-O 2.95Å; V86-L88 HydrophobicContact CG1-CD2 3.83Å; V86-Q113 CarbonylContact C-O 3.41Å; V86-Q113 VanDerWaalsContact CA-O 3.26Å; V86-Q113 WeakPolarHBondContact CA-O 3.43Å; V86-Q113 HydrophobicContact CG2-CB 4.3Å; V86-E115 HydrophobicContact CG1-CG 4.26Å
87	I	82.8	Confident	70.2	Confident	6 Å²	6	48 Å²	48	3%	0.031	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	115.2	177.7	-57.7	179.7	0	0	0	108.7	L39 V41 F80 L85 I89 I112 Q113 T114 E115	L39-I87 HydrophobicContact CD2-CG1 4.3Å; L39-I87 CarbonylContact O-C 3.6Å; L39-I87 WeakPolarHBondContact O-CA 3.48Å; V41-I87 HydrophobicContact CG2-CG2 3.95Å; F80-I87 HydrophobicContact CE1-CD1 3.9Å; F80-I87 HydrophobicContact CZ-CD1 4.35Å; L85-I87 HydrophobicContact CD2-CD1 4.15Å; L85-I87 HydrophobicContact CD2-CG1 3.85Å; L85-I87 HydrophobicContact CG-CG1 4.07Å; I87-I89 HydrophobicContact CG2-CB 4.5Å; I87-I112 HydrophobicContact CD1-CG2 3.58Å; I87-I112 HydrophobicContact CG1-CG2 3.87Å; I87-Q113 PolarHBondContact N-O 2.69Å; I87-T114 HydrophobicContact CB-CG2 4.28Å; I87-T114 CarbonylContact O-C 3.57Å; I87-T114 WeakPolarHBondContact O-CA 3.24Å; I87-E115 PolarHBondContact O-N 2.83Å
88	L	87.1	Confident	71.1	Confident	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.2	123.7	172.9	-46.8	177.3	0	0	0	108.5	Y38 L39 V41 V86 E115 I117 Y122 L170 R173	Y38-L88 HydrophobicContact CD1-CD1 4.47Å; L39-L88 PolarHBondContact O-N 2.77Å; V41-L88 PolarHBondContact N-O 2.75Å; V86-L88 HydrophobicContact CG1-CD2 3.83Å; L88-E115 HydrophobicContact CD2-CB 3.96Å; L88-I117 HydrophobicContact CB-CD1 3.73Å; L88-I117 HydrophobicContact CB-CG1 4.5Å; L88-I117 HydrophobicContact CD1-CD1 4.07Å; L88-I117 HydrophobicContact CD2-CD1 4.17Å; L88-I117 HydrophobicContact CG-CD1 4.2Å; L88-Y122 VanDerWaalsContact C-OH 3.25Å; L88-Y122 PolarHBondContact O-OH 3.41Å; L88-Y122 VanDerWaalsContact O-OH 3.08Å; L88-L170 HydrophobicContact CD1-CB 4.41Å; L88-L170 HydrophobicContact CD1-CD1 3.89Å; L88-R173 HydrophobicContact CD1-CB 3.66Å; L88-R173 HydrophobicContact CD1-CG 3.86Å; L88-R173 HydrophobicContact CD2-CB 4.27Å; L88-R173 HydrophobicContact CD2-CG 3.75Å; L88-R173 HydrophobicContact CG-CG 4.47Å
89	I	86.5	Confident	71.5	Confident	1 Å²	1	45.7 Å²	45.7	1%	0.005	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	155.1	-176.2	-166.8	163.7	0	0	0	111.1	V41 I87 L94 I97 E115 I116 I117 Y122	V41-I89 HydrophobicContact CB-CD1 4.27Å; V41-I89 HydrophobicContact CB-CG1 4.28Å; V41-I89 HydrophobicContact CG1-CD1 4.19Å; I87-I89 HydrophobicContact CG2-CB 4.5Å; I89-L94 HydrophobicContact CD1-CB 4.24Å; I89-L94 HydrophobicContact CD1-CD1 4.49Å; I89-L94 HydrophobicContact CG1-CB 4.43Å; I89-L94 HydrophobicContact CG2-CB 4.09Å; I89-L94 HydrophobicContact CG2-CD1 4.26Å; I89-I97 HydrophobicContact CD1-CD1 3.43Å; I89-I97 VanDerWaalsContact CD1-CD1 3.43Å; I89-E115 PolarHBondContact N-O 2.99Å; I89-E115 VanDerWaalsContact N-O 3.08Å; I89-I116 WeakPolarHBondContact O-CA 3.14Å; I89-I117 PolarHBondContact O-N 3.41Å; I89-Y122 PolarHBondContact N-OH 3.15Å
90	T	87.1	Confident	71.6	Confident	6 Å²	6	47.6 Å²	47.6	4%	0.037	25%	0.251	C	S	.	.			trans	-83.4	150.7	171	71.1	0	0	0	0	110.8	S93 L94 Q119 Y122	T90-S93 PolarHBondContact O-N 3.21Å; T90-S93 VanDerWaalsContact O-N 3.14Å; T90-S93 WeakPolarHBondContact OG1-CB 3.48Å; T90-S93 PolarHBondContact OG1-N 2.94Å; T90-S93 PolarHBondContact OG1-OG 3.43Å; T90-L94 PolarHBondContact O-N 3.24Å; T90-Q119 HydrophobicContact CG2-CB 4.43Å; T90-Y122 HydrophobicContact CG2-CD1 4.12Å; T90-Y122 HydrophobicContact CG2-CD2 3.47Å; T90-Y122 VanDerWaalsContact CG2-CD2 3.47Å; T90-Y122 HydrophobicContact CG2-CE1 4.37Å; T90-Y122 HydrophobicContact CG2-CE2 3.8Å; T90-Y122 HydrophobicContact CG2-CG 3.64Å
91	E	84	Confident	71.7	Confident	96 Å²	96	46.5 Å²	46.5	45%	0.449	25%	0.248	S	C	.	.	H	α-helix	trans	-55.5	-43.2	178.2	-163	-166.7	152.6	0	0	113.2	S93 L94 K95 I116	E91-S93 PolarHBondContact O-N 2.81Å; E91-L94 PolarHBondContact O-N 3.46Å; E91-K95 WeakPolarHBondContact O-CG 3.37Å; E91-K95 PolarHBondContact O-N 2.88Å; E91-K95 WeakPolarHBondContact OE1-CE 3.24Å; E91-K95 IonicContact OE1-NZ 3.03Å; E91-K95 PolarHBondContact OE1-NZ 3.37Å; E91-I116 HydrophobicContact CB-CG2 3.98Å
92	P	82.5	Confident	71.7	Confident	66 Å²	66	44.7 Å²	44.7	43%	0.429	24%	0.24	S	C	.	.	H	α-helix	trans	-64.5	-40.1	175.7	-21.9	34.6	0	0	0	113.2	L94 K95 F96	P92-L94 VanDerWaalsContact C-N 3.34Å; P92-K95 PolarHBondContact O-N 3.45Å; P92-F96 WeakPolarHBondContact O-CB 3.4Å; P92-F96 PolarHBondContact O-N 2.95Å
93	S	81.8	Confident	71.2	Confident	6 Å²	6	45.9 Å²	45.9	4%	0.042	25%	0.25	C	S	.	.	H	α-helix	trans	-65.6	-38.6	176.3	-60.9	0	0	0	0	111.3	I43 T90 E91 F96 I97	I43-S93 PolarHBondContact N-OG 2.9Å; I43-S93 PolarHBondContact O-OG 3.36Å; T90-S93 PolarHBondContact O-N 3.21Å; T90-S93 VanDerWaalsContact O-N 3.14Å; T90-S93 WeakPolarHBondContact OG1-CB 3.48Å; T90-S93 PolarHBondContact OG1-N 2.94Å; T90-S93 PolarHBondContact OG1-OG 3.43Å; E91-S93 PolarHBondContact O-N 2.81Å; S93-F96 PolarHBondContact O-N 3.5Å; S93-I97 VanDerWaalsContact O-CG1 3.31Å; S93-I97 WeakPolarHBondContact O-CG1 3.34Å; S93-I97 PolarHBondContact O-N 3.39Å
94	L	80.2	Confident	70.7	Confident	38 Å²	38	46.5 Å²	46.5	20%	0.199	25%	0.254	C	S	.	.	H	α-helix	trans	-64.1	-44.6	175.3	-176	65.3	0	0	0	111.3	I89 T90 E91 P92 F96 I97 S98 F106 I116	I89-L94 HydrophobicContact CD1-CB 4.24Å; I89-L94 HydrophobicContact CD1-CD1 4.49Å; I89-L94 HydrophobicContact CG1-CB 4.43Å; I89-L94 HydrophobicContact CG2-CB 4.09Å; I89-L94 HydrophobicContact CG2-CD1 4.26Å; T90-L94 PolarHBondContact O-N 3.24Å; E91-L94 PolarHBondContact O-N 3.46Å; P92-L94 VanDerWaalsContact C-N 3.34Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 3.31Å; L94-I97 PolarHBondContact O-N 3.26Å; L94-S98 WeakPolarHBondContact O-CB 3.38Å; L94-S98 PolarHBondContact O-N 3.46Å; L94-S98 PolarHBondContact O-OG 3.08Å; L94-F106 HydrophobicContact CD1-CD1 4.4Å; L94-F106 HydrophobicContact CD1-CE1 4.47Å; L94-I116 HydrophobicContact CD2-CD1 4.12Å; L94-I116 HydrophobicContact CD2-CG1 4.32Å
95	K	76.4	Confident	69.5	Low	123 Å²	123	47.7 Å²	47.7	54%	0.535	26%	0.262	S	S	.	.	H	α-helix	trans	-59.8	-40.9	173.9	-73.9	177.8	-175.4	168.2	0	112.2	E91 P92 S98 S99	E91-K95 WeakPolarHBondContact O-CG 3.37Å; E91-K95 PolarHBondContact O-N 2.88Å; E91-K95 WeakPolarHBondContact OE1-CE 3.24Å; E91-K95 IonicContact OE1-NZ 3.03Å; E91-K95 PolarHBondContact OE1-NZ 3.37Å; P92-K95 PolarHBondContact O-N 3.45Å; K95-S98 WeakPolarHBondContact CA-OG 3.3Å; K95-S98 PolarHBondContact O-N 3.27Å; K95-S98 PolarHBondContact O-OG 3.47Å; K95-S99 VanDerWaalsContact O-CB 3.3Å; K95-S99 WeakPolarHBondContact O-CB 3.19Å; K95-S99 PolarHBondContact O-N 3.27Å; K95-S99 PolarHBondContact O-OG 3.37Å
96	F	72.3	Confident	67.9	Low	66 Å²	66	49.9 Å²	49.9	29%	0.289	27%	0.272	S	S	.	.	H	α-helix	trans	-62.4	-49.4	175.6	178.1	-99.7	0	0	0	111.2	I43 F68 P92 S93 L94 S98 S99 I100	I43-F96 HydrophobicContact CD1-CD1 4.16Å; I43-F96 HydrophobicContact CG2-CD1 3.71Å; I43-F96 HydrophobicContact CG2-CE1 3.81Å; I43-F96 HydrophobicContact CG2-CG 4.47Å; F68-F96 AromaticContact CD1-CE1 3.75Å; F68-F96 HydrophobicContact CD1-CE1 3.75Å; F68-F96 HydrophobicContact CD1-CZ 4.41Å; F68-F96 HydrophobicContact CE1-CE1 4.15Å; F68-F96 HydrophobicContact CG-CE1 4.32Å; P92-F96 WeakPolarHBondContact O-CB 3.4Å; P92-F96 PolarHBondContact O-N 2.95Å; S93-F96 PolarHBondContact O-N 3.5Å; L94-F96 VanDerWaalsContact C-N 3.32Å; L94-F96 PolarHBondContact O-N 3.31Å; F96-S98 PolarHBondContact O-N 3.37Å; F96-S99 PolarHBondContact O-N 3.02Å; F96-S99 PolarHBondContact O-OG 2.85Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CD2-CD1 4.03Å; F96-I100 HydrophobicContact CE1-CD1 3.33Å; F96-I100 HydrophobicContact CE2-CD1 3.64Å; F96-I100 HydrophobicContact CG-CD1 4.09Å; F96-I100 HydrophobicContact CZ-CD1 3.29Å; F96-I100 WeakPolarHBondContact O-CB 3.41Å; F96-I100 WeakPolarHBondContact O-CD1 3.36Å; F96-I100 VanDerWaalsContact O-CG1 3.29Å; F96-I100 WeakPolarHBondContact O-CG1 3.4Å; F96-I100 PolarHBondContact O-N 3.37Å
97	I	67.3	Low	66.3	Low	10 Å²	10	57.5 Å²	57.5	5%	0.051	31%	0.307	C	S	.	.	H	α-helix	trans	-63.6	-42.3	178	-61.9	172.5	0	0	0	111.1	I43 F68 I89 S93 L94 I100 V101 F106	I43-I97 HydrophobicContact CD1-CD1 3.51Å; I43-I97 HydrophobicContact CD1-CG1 3.4Å; F68-I97 HydrophobicContact CZ-CG1 4.39Å; I89-I97 HydrophobicContact CD1-CD1 3.43Å; I89-I97 VanDerWaalsContact CD1-CD1 3.43Å; S93-I97 VanDerWaalsContact O-CG1 3.31Å; S93-I97 WeakPolarHBondContact O-CG1 3.34Å; S93-I97 PolarHBondContact O-N 3.39Å; L94-I97 PolarHBondContact O-N 3.26Å; I97-I100 PolarHBondContact O-N 3.06Å; I97-I100 VanDerWaalsContact O-N 3.14Å; I97-V101 HydrophobicContact CG2-CG2 3.81Å; I97-V101 WeakPolarHBondContact O-CB 3.42Å; I97-V101 WeakPolarHBondContact O-CG2 3.38Å; I97-V101 PolarHBondContact O-N 2.87Å; I97-F106 HydrophobicContact CB-CE2 4.38Å; I97-F106 HydrophobicContact CG2-CD2 4Å; I97-F106 HydrophobicContact CG2-CE2 3.2Å; I97-F106 HydrophobicContact CG2-CZ 3.78Å
98	S	66.8	Low	64.3	Low	31 Å²	31	63.2 Å²	63.2	22%	0.217	34%	0.337	C	S	.	.	H	α-helix	trans	-67.2	-37.7	-179.3	67.6	0	0	0	0	112.4	L94 K95 F96 I100 G102	L94-S98 WeakPolarHBondContact O-CB 3.38Å; L94-S98 PolarHBondContact O-N 3.46Å; L94-S98 PolarHBondContact O-OG 3.08Å; K95-S98 WeakPolarHBondContact CA-OG 3.3Å; K95-S98 PolarHBondContact O-N 3.27Å; K95-S98 PolarHBondContact O-OG 3.47Å; F96-S98 PolarHBondContact O-N 3.37Å; S98-I100 PolarHBondContact O-N 3.2Å; S98-G102 CarbonylContact O-C 3.58Å; S98-G102 WeakPolarHBondContact O-CA 3.37Å; S98-G102 PolarHBondContact O-N 2.62Å
99	S	59	Low	62.2	Low	91 Å²	91	67 Å²	67	64%	0.636	36%	0.363	S	S	*	.	H	α-helix	trans	-60.7	-28.5	173.2	73.7	0	0	0	0	112.7	K95 F96	K95-S99 VanDerWaalsContact O-CB 3.3Å; K95-S99 WeakPolarHBondContact O-CB 3.19Å; K95-S99 PolarHBondContact O-N 3.27Å; K95-S99 PolarHBondContact O-OG 3.37Å; F96-S99 PolarHBondContact O-N 3.02Å; F96-S99 PolarHBondContact O-OG 2.85Å
100	I	53	Low	60.6	Low	47 Å²	47	69.6 Å²	69.6	24%	0.241	38%	0.381	C	S	.	.	H	α-helix	trans	-91.4	-45.6	-175.9	-73.9	172.9	0	0	0	111.7	F68 L70 F96 I97 S98	F68-I100 HydrophobicContact CD1-CD1 4.12Å; F68-I100 HydrophobicContact CE1-CD1 3.88Å; F68-I100 HydrophobicContact CE1-CG2 4.03Å; L70-I100 HydrophobicContact CD1-CG2 3.46Å; L70-I100 VanDerWaalsContact CD1-CG2 3.46Å; L70-I100 HydrophobicContact CD2-CG2 3.42Å; L70-I100 VanDerWaalsContact CD2-CG2 3.42Å; L70-I100 HydrophobicContact CG-CG2 3.18Å; F96-I100 HydrophobicContact CD1-CD1 3.74Å; F96-I100 HydrophobicContact CD2-CD1 4.03Å; F96-I100 HydrophobicContact CE1-CD1 3.33Å; F96-I100 HydrophobicContact CE2-CD1 3.64Å; F96-I100 HydrophobicContact CG-CD1 4.09Å; F96-I100 HydrophobicContact CZ-CD1 3.29Å; F96-I100 WeakPolarHBondContact O-CB 3.41Å; F96-I100 WeakPolarHBondContact O-CD1 3.36Å; F96-I100 VanDerWaalsContact O-CG1 3.29Å; F96-I100 WeakPolarHBondContact O-CG1 3.4Å; F96-I100 PolarHBondContact O-N 3.37Å; I97-I100 PolarHBondContact O-N 3.06Å; I97-I100 VanDerWaalsContact O-N 3.14Å; S98-I100 PolarHBondContact O-N 3.2Å
101	V	53.3	Low	59	Low	21 Å²	21	71.8 Å²	71.8	13%	0.127	41%	0.405	C	S	.	.	H	α-helix	trans	-84.4	-14.6	-173.1	176.5	0	0	0	0	112.2	I97 K105 F106	I97-V101 HydrophobicContact CG2-CG2 3.81Å; I97-V101 WeakPolarHBondContact O-CB 3.42Å; I97-V101 WeakPolarHBondContact O-CG2 3.38Å; I97-V101 PolarHBondContact O-N 2.87Å; V101-K105 HydrophobicContact CG1-CB 3.77Å; V101-K105 HydrophobicContact CG1-CD 4.49Å; V101-F106 HydrophobicContact CG1-CD2 4.47Å
102	G	47.4	Very low	58.1	Low	37 Å²	37	69.1 Å²	69.1	38%	0.381	39%	0.393	S	S	.	.			trans	81.5	135.1	-165.4	0	0	0	0	0	109.9	S98 D104 K105	S98-G102 CarbonylContact O-C 3.58Å; S98-G102 WeakPolarHBondContact O-CA 3.37Å; S98-G102 PolarHBondContact O-N 2.62Å; G102-D104 PolarHBondContact O-N 3.15Å; G102-D104 VanDerWaalsContact O-N 3.14Å; G102-K105 PolarHBondContact O-N 2.99Å
103	T	44.9	Very low	57.6	Low	96 Å²	96	70.7 Å²	70.7	59%	0.589	40%	0.395	S	S	*	.	G	3₁₀ helix	trans	-52.8	-36.3	-175.4	43.5	0	0	0	0	113.2	K105	T103-K105 VanDerWaalsContact C-N 3.33Å; T103-K105 PolarHBondContact O-N 3.47Å
104	D	44.2	Very low	57.4	Low	116 Å²	116	72.9 Å²	72.9	62%	0.62	41%	0.408	S	S	*	.	G	3₁₀ helix	trans	-69.2	-31.7	-171.5	-64	-12.5	0	0	0	112.2	G102 F106 I108	G102-D104 PolarHBondContact O-N 3.15Å; G102-D104 VanDerWaalsContact O-N 3.14Å; D104-F106 PolarHBondContact O-N 2.82Å; D104-I108 HydrophobicContact CB-CD1 3.83Å; D104-I108 WeakPolarHBondContact O-CD1 3.38Å; D104-I108 WeakPolarHBondContact O-CG1 3.46Å
105	K	45.9	Very low	57.6	Low	144 Å²	144	72.8 Å²	72.8	63%	0.626	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-81	-11.5	-168.5	-75.6	-177.3	-175.9	175	0	115.3	V101 G102 T103	V101-K105 HydrophobicContact CG1-CB 3.77Å; V101-K105 HydrophobicContact CG1-CD 4.49Å; G102-K105 PolarHBondContact O-N 2.99Å; T103-K105 VanDerWaalsContact C-N 3.33Å; T103-K105 PolarHBondContact O-N 3.47Å
106	F	43.8	Very low	58.1	Low	46 Å²	46	71.3 Å²	71.3	20%	0.202	40%	0.404	C	S	.	.	G	3₁₀ helix	trans	-80.5	-24.4	176.4	-116.7	-94.9	0	0	0	113.1	F80 L94 I97 V101 D104 T114	F80-F106 HydrophobicContact CE1-CE1 4.31Å; F80-F106 HydrophobicContact CE1-CZ 4.27Å; F80-F106 HydrophobicContact CZ-CZ 4.08Å; L94-F106 HydrophobicContact CD1-CD1 4.4Å; L94-F106 HydrophobicContact CD1-CE1 4.47Å; I97-F106 HydrophobicContact CB-CE2 4.38Å; I97-F106 HydrophobicContact CG2-CD2 4Å; I97-F106 HydrophobicContact CG2-CE2 3.2Å; I97-F106 HydrophobicContact CG2-CZ 3.78Å; V101-F106 HydrophobicContact CG1-CD2 4.47Å; D104-F106 PolarHBondContact O-N 2.82Å; F106-T114 HydrophobicContact CD1-CG2 4.4Å
107	H	45.9	Very low	58.7	Low	161 Å²	161	68.1 Å²	68.1	75%	0.745	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.4	-7.7	-176.5	-74.7	-59.1	0	0	0	114.6
108	I	41.5	Very low	59.7	Low	126 Å²	126	70.6 Å²	70.6	65%	0.646	41%	0.406	S	S	*	.	S	Bend	trans	-90.1	-3.1	-159.9	-76.1	173.3	0	0	0	116	D104	D104-I108 HydrophobicContact CB-CD1 3.83Å; D104-I108 WeakPolarHBondContact O-CD1 3.38Å; D104-I108 WeakPolarHBondContact O-CG1 3.46Å
109	S	42.6	Very low	60.6	Low	79 Å²	79	75.3 Å²	75.3	55%	0.552	43%	0.425	S	S	*	.	S	Bend	trans	-152	130.4	175.5	56.3	0	0	0	0	115
110	S	52.1	Low	62	Low	56 Å²	56	74.8 Å²	74.8	39%	0.392	42%	0.421	S	S	.	.	S	Bend	trans	60.6	104	150.3	56.2	0	0	0	0	118.8	D83 I112	D83-S110 VanDerWaalsContact OD1-CB 3.29Å; D83-S110 WeakPolarHBondContact OD1-CB 3.44Å; S110-I112 WeakPolarHBondContact O-CD1 3.21Å; S110-I112 VanDerWaalsContact O-CG1 3.24Å; S110-I112 WeakPolarHBondContact O-CG1 3.32Å; S110-I112 PolarHBondContact O-N 3.45Å
111	G	53.5	Low	63.6	Low	52 Å²	52	75.9 Å²	75.9	54%	0.536	42%	0.423	S	S	.	.	S	Bend	trans	58.5	-5.6	148.4	0	0	0	0	0	120.4	D83	D83-G111 CarbonylContact O-C 3.54Å; D83-G111 WeakPolarHBondContact O-CA 3.24Å
112	I	65.2	Low	65.3	Low	39 Å²	39	75.4 Å²	75.4	20%	0.2	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-83.3	123.4	-174.6	-67.3	146.6	0	0	0	109.4	F80 L85 I87 S110 T114	F80-I112 HydrophobicContact CB-CD1 3.8Å; F80-I112 HydrophobicContact CD1-CD1 3.49Å; F80-I112 VanDerWaalsContact CD1-CD1 3.49Å; F80-I112 HydrophobicContact CG-CD1 4.07Å; L85-I112 HydrophobicContact CB-CG1 4.28Å; L85-I112 WeakPolarHBondContact O-CA 3.38Å; I87-I112 HydrophobicContact CD1-CG2 3.58Å; I87-I112 HydrophobicContact CG1-CG2 3.87Å; S110-I112 WeakPolarHBondContact O-CD1 3.21Å; S110-I112 VanDerWaalsContact O-CG1 3.24Å; S110-I112 WeakPolarHBondContact O-CG1 3.32Å; S110-I112 PolarHBondContact O-N 3.45Å; I112-T114 HydrophobicContact CG2-CG2 4.5Å
113	Q	73.4	Confident	67.4	Low	100 Å²	100	75.3 Å²	75.3	47%	0.467	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.4	123.2	174.6	-67	-178.4	-15.9	0	0	108.9	L85 V86 I87	L85-Q113 PolarHBondContact O-N 3.42Å; V86-Q113 CarbonylContact C-O 3.41Å; V86-Q113 VanDerWaalsContact CA-O 3.26Å; V86-Q113 WeakPolarHBondContact CA-O 3.43Å; V86-Q113 HydrophobicContact CG2-CB 4.3Å; I87-Q113 PolarHBondContact N-O 2.69Å
114	T	77.4	Confident	69.4	Low	52 Å²	52	73 Å²	73	32%	0.319	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.6	120.2	173.6	55.1	0	0	0	0	109.6	I87 F106 I112	I87-T114 HydrophobicContact CB-CG2 4.28Å; I87-T114 CarbonylContact O-C 3.57Å; I87-T114 WeakPolarHBondContact O-CA 3.24Å; F106-T114 HydrophobicContact CD1-CG2 4.4Å; I112-T114 HydrophobicContact CG2-CG2 4.5Å
115	E	83.8	Confident	71.5	Confident	36 Å²	36	74.3 Å²	74.3	17%	0.168	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	129.5	174.2	-71.1	-165.2	-141.9	0	0	111.2	V86 I87 L88 I89 R173 R176	V86-E115 HydrophobicContact CG1-CG 4.26Å; I87-E115 PolarHBondContact O-N 2.83Å; L88-E115 HydrophobicContact CD2-CB 3.96Å; I89-E115 PolarHBondContact N-O 2.99Å; I89-E115 VanDerWaalsContact N-O 3.08Å; E115-R173 IonicContact OE1-CZ 3.8Å; E115-R173 VanDerWaalsContact OE1-CZ 3.3Å; E115-R173 IonicContact OE1-NE 2.67Å; E115-R173 PolarHBondContact OE1-NE 3.46Å; E115-R173 IonicContact OE1-NH2 3.5Å; E115-R173 PolarHBondContact OE1-NH2 2.94Å; E115-R173 VanDerWaalsContact OE2-CD 3.26Å; E115-R173 WeakPolarHBondContact OE2-CD 3.31Å; E115-R173 IonicContact OE2-CZ 3.5Å; E115-R173 IonicContact OE2-NE 2.69Å; E115-R173 PolarHBondContact OE2-NE 2.87Å; E115-R173 IonicContact OE2-NH2 2.71Å; E115-R176 IonicContact OE2-NH2 3.09Å; E115-R176 PolarHBondContact OE2-NH2 3.16Å
116	I	85.9	Confident	73.5	Confident	91 Å²	91	69.5 Å²	69.5	47%	0.467	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	123.8	177.2	-59.6	175.9	0	0	0	109.1	I89 E91 L94	I89-I116 WeakPolarHBondContact O-CA 3.14Å; E91-I116 HydrophobicContact CB-CG2 3.98Å; L94-I116 HydrophobicContact CD2-CD1 4.12Å; L94-I116 HydrophobicContact CD2-CG1 4.32Å
117	I	86.2	Confident	75.6	Confident	0 Å²	0	67.3 Å²	67.3	0%	0	37%	0.366	C	S	.	.			trans	-110.9	138.4	176.8	-63	-176.9	0	0	0	109.7	L88 I89 Q119 Y122 G169 Y172 R173	L88-I117 HydrophobicContact CB-CD1 3.73Å; L88-I117 HydrophobicContact CB-CG1 4.5Å; L88-I117 HydrophobicContact CD1-CD1 4.07Å; L88-I117 HydrophobicContact CD2-CD1 4.17Å; L88-I117 HydrophobicContact CG-CD1 4.2Å; I89-I117 PolarHBondContact O-N 3.41Å; I117-Q119 PolarHBondContact O-N 2.59Å; I117-Y122 HydrophobicContact CB-CD2 4.43Å; I117-Y122 HydrophobicContact CB-CE2 3.69Å; I117-Y122 HydrophobicContact CD1-CE2 4.2Å; I117-Y122 HydrophobicContact CG1-CE2 4.49Å; I117-Y122 HydrophobicContact CG2-CD2 3.99Å; I117-Y122 HydrophobicContact CG2-CE2 3.61Å; I117-G169 VanDerWaalsContact CD1-O 3.27Å; I117-G169 WeakPolarHBondContact CD1-O 3.35Å; I117-Y172 HydrophobicContact CD1-CD1 4.43Å; I117-Y172 HydrophobicContact CG2-CD1 3.62Å; I117-Y172 HydrophobicContact CG2-CE1 4.06Å; I117-R173 HydrophobicContact CD1-CB 3.96Å
118	P	87.5	Confident	77.5	Confident	62 Å²	62	60.4 Å²	60.4	40%	0.403	34%	0.335	S	S	.	.			trans	-58.8	137.2	176.7	-22.7	32.2	0	0	0	112.6	S120 Y121	P118-S120 PolarHBondContact O-N 2.8Å; P118-S120 VanDerWaalsContact O-N 3.14Å; P118-Y121 HydrophobicContact CB-CD2 3.76Å; P118-Y121 HydrophobicContact CB-CE2 3.97Å; P118-Y121 HydrophobicContact CG-CD2 3.97Å; P118-Y121 HydrophobicContact CG-CE2 3.95Å; P118-Y121 PolarHBondContact O-N 3.43Å; P118-Y121 VanDerWaalsContact O-N 3.09Å
119	Q	87.1	Confident	79.7	Confident	130 Å²	130	59 Å²	59	61%	0.607	33%	0.329	S	S	*	.	G	3₁₀ helix	trans	-60.6	-27	-175.3	-173.7	177	-0.3	0	0	113.6	T90 I117 Y121 Y122	T90-Q119 HydrophobicContact CG2-CB 4.43Å; I117-Q119 PolarHBondContact O-N 2.59Å; Q119-Y121 PolarHBondContact O-N 3.35Å; Q119-Y122 PolarHBondContact O-N 2.84Å
120	S	86.7	Confident	81.6	Confident	79 Å²	79	56.5 Å²	56.5	55%	0.552	31%	0.311	S	S	*	.	G	3₁₀ helix	trans	-56.2	-31.7	175.7	50.2	0	0	0	0	113.2	P118 S123	P118-S120 PolarHBondContact O-N 2.8Å; P118-S120 VanDerWaalsContact O-N 3.14Å; S120-S123 WeakPolarHBondContact O-CB 3.49Å; S120-S123 PolarHBondContact O-OG 3.4Å
121	Y	87.6	Confident	83	Confident	71 Å²	71	54.1 Å²	54.1	28%	0.278	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-85.5	-11.8	179.9	-59.5	-67.9	0	0	0	113.5	P118 Q119 S123 F126 S168 Y172	P118-Y121 HydrophobicContact CB-CD2 3.76Å; P118-Y121 HydrophobicContact CB-CE2 3.97Å; P118-Y121 HydrophobicContact CG-CD2 3.97Å; P118-Y121 HydrophobicContact CG-CE2 3.95Å; P118-Y121 PolarHBondContact O-N 3.43Å; P118-Y121 VanDerWaalsContact O-N 3.09Å; Q119-Y121 PolarHBondContact O-N 3.35Å; Y121-S123 PolarHBondContact O-N 2.83Å; Y121-S123 VanDerWaalsContact O-N 3.1Å; Y121-F126 HydrophobicContact CD1-CD1 4.39Å; Y121-F126 AromaticContact CD1-CD2 3.72Å; Y121-F126 HydrophobicContact CD1-CD2 3.72Å; Y121-F126 HydrophobicContact CD1-CE1 4.29Å; Y121-F126 AromaticContact CD1-CE2 3.6Å; Y121-F126 HydrophobicContact CD1-CE2 3.6Å; Y121-F126 HydrophobicContact CD1-CG 4.11Å; Y121-F126 AromaticContact CD1-CZ 3.9Å; Y121-F126 HydrophobicContact CD1-CZ 3.9Å; Y121-F126 HydrophobicContact CE1-CD2 4.15Å; Y121-F126 AromaticContact CE1-CE2 3.81Å; Y121-F126 HydrophobicContact CE1-CE2 3.81Å; Y121-F126 HydrophobicContact CE1-CZ 4.34Å; Y121-S168 CarbonylContact O-C 3.58Å; Y121-S168 WeakPolarHBondContact O-CB 3.49Å; Y121-S168 PolarHBondContact O-OG 2.87Å; Y121-Y172 AromaticContact CD1-CD2 3.42Å; Y121-Y172 HydrophobicContact CD1-CD2 3.42Å; Y121-Y172 VanDerWaalsContact CD1-CD2 3.42Å; Y121-Y172 AromaticContact CD1-CE2 3.84Å; Y121-Y172 HydrophobicContact CD1-CE2 3.84Å; Y121-Y172 AromaticContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD2-CD1 4.07Å; Y121-Y172 AromaticContact CD2-CD2 3.86Å; Y121-Y172 HydrophobicContact CD2-CD2 3.86Å; Y121-Y172 AromaticContact CD2-CE1 3.94Å; Y121-Y172 HydrophobicContact CD2-CE1 3.94Å; Y121-Y172 AromaticContact CD2-CE2 3.75Å; Y121-Y172 HydrophobicContact CD2-CE2 3.75Å; Y121-Y172 HydrophobicContact CD2-CG 4.02Å; Y121-Y172 AromaticContact CD2-CZ 3.78Å; Y121-Y172 AromaticContact CE1-CD2 3.62Å; Y121-Y172 HydrophobicContact CE1-CD2 3.62Å; Y121-Y172 AromaticContact CE1-CE2 3.59Å; Y121-Y172 HydrophobicContact CE1-CE2 3.59Å; Y121-Y172 HydrophobicContact CE2-CD2 4.04Å; Y121-Y172 HydrophobicContact CE2-CE1 4.18Å; Y121-Y172 AromaticContact CE2-CE2 3.49Å; Y121-Y172 HydrophobicContact CE2-CE2 3.49Å; Y121-Y172 VanDerWaalsContact CE2-CE2 3.49Å; Y121-Y172 AromaticContact CE2-CZ 3.56Å; Y121-Y172 HydrophobicContact CG-CD1 4.14Å; Y121-Y172 AromaticContact CG-CD2 3.55Å; Y121-Y172 HydrophobicContact CG-CD2 3.55Å; Y121-Y172 HydrophobicContact CG-CE1 4.44Å; Y121-Y172 AromaticContact CG-CE2 3.91Å; Y121-Y172 HydrophobicContact CG-CE2 3.91Å; Y121-Y172 AromaticContact CG-CG 3.67Å; Y121-Y172 HydrophobicContact CG-CG 3.67Å; Y121-Y172 AromaticContact CZ-CD2 3.91Å; Y121-Y172 AromaticContact CZ-CE2 3.39Å; Y121-Y172 AromaticContact CZ-CZ 3.95Å
122	Y	89.5	Confident	84.2	Confident	11 Å²	11	57.4 Å²	57.4	4%	0.043	30%	0.295	C	S	.	.	S	Bend	trans	-85.6	53.4	168.9	-83	-106.8	0	0	0	110.4	S40 V41 C42 L88 I89 T90 I117 Q119 R165	S40-Y122 PolarHBondContact OG-OH 3.2Å; S40-Y122 VanDerWaalsContact OG-OH 3.1Å; V41-Y122 VanDerWaalsContact O-CE1 3.32Å; V41-Y122 WeakPolarHBondContact O-CE1 3.4Å; C42-Y122 HydrophobicContact CB-CD1 3.78Å; C42-Y122 HydrophobicContact CB-CE1 4.05Å; L88-Y122 VanDerWaalsContact C-OH 3.25Å; L88-Y122 PolarHBondContact O-OH 3.41Å; L88-Y122 VanDerWaalsContact O-OH 3.08Å; I89-Y122 PolarHBondContact N-OH 3.15Å; T90-Y122 HydrophobicContact CG2-CD1 4.12Å; T90-Y122 HydrophobicContact CG2-CD2 3.47Å; T90-Y122 VanDerWaalsContact CG2-CD2 3.47Å; T90-Y122 HydrophobicContact CG2-CE1 4.37Å; T90-Y122 HydrophobicContact CG2-CE2 3.8Å; T90-Y122 HydrophobicContact CG2-CG 3.64Å; I117-Y122 HydrophobicContact CB-CD2 4.43Å; I117-Y122 HydrophobicContact CB-CE2 3.69Å; I117-Y122 HydrophobicContact CD1-CE2 4.2Å; I117-Y122 HydrophobicContact CG1-CE2 4.49Å; I117-Y122 HydrophobicContact CG2-CD2 3.99Å; I117-Y122 HydrophobicContact CG2-CE2 3.61Å; Q119-Y122 PolarHBondContact O-N 2.84Å; Y122-R165 VanDerWaalsContact CD1-O 3.31Å; Y122-R165 WeakPolarHBondContact CD1-O 3.28Å; Y122-R165 WeakPolarHBondContact O-CB 3.18Å; Y122-R165 WeakPolarHBondContact O-CD 3.33Å; Y122-R165 VanDerWaalsContact O-CG 3.28Å; Y122-R165 WeakPolarHBondContact O-CG 3.13Å
123	S	90.2	Very high	85	Confident	34 Å²	34	57.3 Å²	57.3	24%	0.238	30%	0.296	C	S	.	.	S	Bend	trans	-127.5	140.8	-176.7	68.3	0	0	0	0	111.6	S120 Y121 Q125 F126 L127 S168	S120-S123 WeakPolarHBondContact O-CB 3.49Å; S120-S123 PolarHBondContact O-OG 3.4Å; Y121-S123 PolarHBondContact O-N 2.83Å; Y121-S123 VanDerWaalsContact O-N 3.1Å; S123-Q125 PolarHBondContact O-N 2.79Å; S123-F126 PolarHBondContact O-N 2.83Å; S123-F126 VanDerWaalsContact OG-CB 3.26Å; S123-F126 WeakPolarHBondContact OG-CB 3.35Å; S123-F126 PolarHBondContact OG-N 3.42Å; S123-L127 PolarHBondContact O-N 3.28Å; S123-S168 WeakPolarHBondContact O-CB 3.43Å; S123-S168 PolarHBondContact O-OG 2.98Å
124	E	86.8	Confident	85.5	Confident	48 Å²	48	52.6 Å²	52.6	22%	0.224	27%	0.274	C	S	.	.	H	α-helix	trans	-61.8	-31	174	-69.8	175.8	-135.3	0	0	111.3	L127 M128 K161 L164 R165	E124-L127 PolarHBondContact O-N 3.37Å; E124-M128 WeakPolarHBondContact O-CG 3.27Å; E124-M128 PolarHBondContact O-N 3.44Å; E124-K161 WeakPolarHBondContact OE1-CB 3.37Å; E124-K161 WeakPolarHBondContact OE1-CD 3.22Å; E124-K161 VanDerWaalsContact OE1-CG 3.28Å; E124-K161 WeakPolarHBondContact OE1-CG 3.22Å; E124-L164 HydrophobicContact CG-CB 4.01Å; E124-L164 HydrophobicContact CG-CD1 4.31Å; E124-R165 HydrophobicContact CG-CG 4.35Å
125	Q	88.1	Confident	85.8	Confident	144 Å²	144	51.5 Å²	51.5	67%	0.673	27%	0.269	S	S	*	.	H	α-helix	trans	-64.4	-49.6	178.7	-173.2	169.5	-3.4	0	0	111.4	S123 L127 M128 D129	S123-Q125 PolarHBondContact O-N 2.79Å; Q125-L127 VanDerWaalsContact C-N 3.32Å; Q125-L127 PolarHBondContact O-N 3.24Å; Q125-M128 PolarHBondContact O-N 3.36Å; Q125-M128 VanDerWaalsContact O-N 3.07Å; Q125-D129 VanDerWaalsContact O-CG 3.3Å; Q125-D129 PolarHBondContact O-N 2.76Å
126	F	88.6	Confident	85.9	Confident	42 Å²	42	50.2 Å²	50.2	18%	0.184	26%	0.263	C	S	.	.	H	α-helix	trans	-58.6	-43.9	176.8	-179.8	-94	0	0	0	112.1	Y121 S123 M128 D129 S130 S168 Y172	Y121-F126 HydrophobicContact CD1-CD1 4.39Å; Y121-F126 AromaticContact CD1-CD2 3.72Å; Y121-F126 HydrophobicContact CD1-CD2 3.72Å; Y121-F126 HydrophobicContact CD1-CE1 4.29Å; Y121-F126 AromaticContact CD1-CE2 3.6Å; Y121-F126 HydrophobicContact CD1-CE2 3.6Å; Y121-F126 HydrophobicContact CD1-CG 4.11Å; Y121-F126 AromaticContact CD1-CZ 3.9Å; Y121-F126 HydrophobicContact CD1-CZ 3.9Å; Y121-F126 HydrophobicContact CE1-CD2 4.15Å; Y121-F126 AromaticContact CE1-CE2 3.81Å; Y121-F126 HydrophobicContact CE1-CE2 3.81Å; Y121-F126 HydrophobicContact CE1-CZ 4.34Å; S123-F126 PolarHBondContact O-N 2.83Å; S123-F126 VanDerWaalsContact OG-CB 3.26Å; S123-F126 WeakPolarHBondContact OG-CB 3.35Å; S123-F126 PolarHBondContact OG-N 3.42Å; F126-M128 VanDerWaalsContact C-N 3.28Å; F126-M128 PolarHBondContact O-N 3.44Å; F126-D129 PolarHBondContact O-N 3.11Å; F126-S130 WeakPolarHBondContact CZ-OG 3.37Å; F126-S130 WeakPolarHBondContact O-CB 3.45Å; F126-S130 PolarHBondContact O-N 3.38Å; F126-S130 PolarHBondContact O-OG 2.9Å; F126-S168 WeakPolarHBondContact CD1-OG 3.32Å; F126-Y172 HydrophobicContact CZ-CD2 4.03Å
127	L	87.6	Confident	85.9	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.267	C	S	.	.	H	α-helix	trans	-56.9	-43.4	175.5	-179.4	66.3	0	0	0	112	S123 E124 Q125 H131 M134 I152 L164 L167 S168 L171	S123-L127 PolarHBondContact O-N 3.28Å; E124-L127 PolarHBondContact O-N 3.37Å; Q125-L127 VanDerWaalsContact C-N 3.32Å; Q125-L127 PolarHBondContact O-N 3.24Å; L127-H131 PolarHBondContact O-N 3Å; L127-H131 VanDerWaalsContact O-N 3.14Å; L127-M134 HydrophobicContact CD1-CE 3.52Å; L127-M134 HydrophobicContact CD1-SD 4.03Å; L127-M134 HydrophobicContact CG-CE 4.27Å; L127-I152 HydrophobicContact CD2-CG2 4.47Å; L127-L164 HydrophobicContact CD2-CB 4.18Å; L127-L164 HydrophobicContact CD2-CD2 3.98Å; L127-L167 HydrophobicContact CD1-CB 4.49Å; L127-L167 HydrophobicContact CD1-CD2 4.03Å; L127-L167 HydrophobicContact CD1-CG 3.87Å; L127-L167 HydrophobicContact CD2-CB 4.48Å; L127-L167 HydrophobicContact CD2-CD2 4.08Å; L127-L167 HydrophobicContact CD2-CG 4.42Å; L127-S168 PolarHBondContact N-OG 2.76Å; L127-L171 HydrophobicContact CD1-CD2 3.96Å
128	M	87.1	Confident	85.8	Confident	16 Å²	16	53.4 Å²	53.4	8%	0.079	28%	0.284	C	S	.	.	H	α-helix	trans	-72.2	-29.8	-178.9	-66.7	-62.4	129.9	0	0	112.4	E124 Q125 F126 H131 K149 I152 K153	E124-M128 WeakPolarHBondContact O-CG 3.27Å; E124-M128 PolarHBondContact O-N 3.44Å; Q125-M128 PolarHBondContact O-N 3.36Å; Q125-M128 VanDerWaalsContact O-N 3.07Å; F126-M128 VanDerWaalsContact C-N 3.28Å; F126-M128 PolarHBondContact O-N 3.44Å; M128-H131 PolarHBondContact O-ND1 2.76Å; M128-K149 HydrophobicContact CB-CD 4.11Å; M128-K149 HydrophobicContact CB-CG 4.43Å; M128-K149 WeakPolarHBondContact O-CE 3.35Å; M128-K149 PolarHBondContact O-NZ 3.09Å; M128-K149 VanDerWaalsContact O-NZ 3.11Å; M128-K149 HydrophobicContact SD-CB 3.64Å; M128-K149 HydrophobicContact SD-CD 4.24Å; M128-K149 HydrophobicContact SD-CG 3.75Å; M128-I152 HydrophobicContact CE-CG2 4.45Å; M128-K153 HydrophobicContact CE-CD 4.33Å; M128-K153 HydrophobicContact CE-CG 3.81Å
129	D	86.1	Confident	85.9	Confident	98 Å²	98	51 Å²	51	52%	0.524	27%	0.267	S	S	.	.	H	α-helix	trans	-77.5	-39.8	177.3	-64.8	-21.3	0	0	0	110.5	Q125 F126 H131 K149	Q125-D129 VanDerWaalsContact O-CG 3.3Å; Q125-D129 PolarHBondContact O-N 2.76Å; F126-D129 PolarHBondContact O-N 3.11Å; D129-H131 VanDerWaalsContact C-N 3.32Å; D129-H131 PolarHBondContact O-N 3.3Å; D129-K149 IonicContact OD1-NZ 2.69Å
130	S	84.3	Confident	85.7	Confident	26 Å²	26	47.7 Å²	47.7	18%	0.182	26%	0.257	C	S	.	.	S	Bend	trans	-86.8	8.3	-179.9	-57.1	0	0	0	0	114.5	F126 Q132 V133	F126-S130 WeakPolarHBondContact CZ-OG 3.37Å; F126-S130 WeakPolarHBondContact O-CB 3.45Å; F126-S130 PolarHBondContact O-N 3.38Å; F126-S130 PolarHBondContact O-OG 2.9Å; S130-Q132 PolarHBondContact O-N 3.07Å; S130-V133 WeakPolarHBondContact O-CB 3.48Å; S130-V133 PolarHBondContact O-N 3.14Å; S130-V133 VanDerWaalsContact O-N 3.12Å
131	H	80.8	Confident	85.3	Confident	5 Å²	5	51.6 Å²	51.6	2%	0.023	27%	0.272	C	S	.	.	G	3₁₀ helix	trans	-61.2	-18.5	-172.9	77.6	-62.8	0	0	0	115.6	L127 M128 D129 V133 M134 D145 R148 I152	L127-H131 PolarHBondContact O-N 3Å; L127-H131 VanDerWaalsContact O-N 3.14Å; M128-H131 PolarHBondContact O-ND1 2.76Å; D129-H131 VanDerWaalsContact C-N 3.32Å; D129-H131 PolarHBondContact O-N 3.3Å; H131-V133 VanDerWaalsContact C-N 3.26Å; H131-V133 PolarHBondContact O-N 3.42Å; H131-M134 HydrophobicContact CB-CE 4.18Å; H131-M134 PolarHBondContact O-N 3.26Å; H131-D145 IonicContact CE1-OD1 2.77Å; H131-D145 IonicContact NE2-OD1 2.7Å; H131-R148 PolarHBondContact O-NH2 3.05Å; H131-I152 HydrophobicContact CB-CD1 3.8Å
132	Q	79.1	Confident	84.9	Confident	122 Å²	122	54.6 Å²	54.6	57%	0.57	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-69.7	-26.3	178.3	-67.8	-179.8	-15.1	0	0	112.2	S130 M134	S130-Q132 PolarHBondContact O-N 3.07Å; Q132-M134 PolarHBondContact O-N 3.2Å
133	V	81	Confident	84.6	Confident	36 Å²	36	56.7 Å²	56.7	22%	0.218	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-72.2	-18.3	178.8	-178.5	0	0	0	0	112.3	S130 H131 L171 T175 I189 L190	S130-V133 WeakPolarHBondContact O-CB 3.48Å; S130-V133 PolarHBondContact O-N 3.14Å; S130-V133 VanDerWaalsContact O-N 3.12Å; H131-V133 VanDerWaalsContact C-N 3.26Å; H131-V133 PolarHBondContact O-N 3.42Å; V133-L171 HydrophobicContact CB-CD1 4.23Å; V133-L171 HydrophobicContact CG1-CD1 4.06Å; V133-T175 HydrophobicContact CB-CG2 4.44Å; V133-T175 HydrophobicContact CG1-CG2 3.73Å; V133-T175 HydrophobicContact CG2-CG2 4.29Å; V133-I189 HydrophobicContact CG1-CB 3.56Å; V133-I189 HydrophobicContact CG1-CD1 3.66Å; V133-I189 HydrophobicContact CG1-CG1 3.71Å; V133-I189 PolarHBondContact O-N 2.93Å; V133-L190 PolarHBondContact O-N 3.38Å
134	M	83.7	Confident	84.4	Confident	1 Å²	1	57.5 Å²	57.5	1%	0.005	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	125.2	178.6	-63.6	-170.7	-77.2	0	0	111.4	L127 H131 Q132 R148 I152 L167 L171 L190	L127-M134 HydrophobicContact CD1-CE 3.52Å; L127-M134 HydrophobicContact CD1-SD 4.03Å; L127-M134 HydrophobicContact CG-CE 4.27Å; H131-M134 HydrophobicContact CB-CE 4.18Å; H131-M134 PolarHBondContact O-N 3.26Å; Q132-M134 PolarHBondContact O-N 3.2Å; M134-R148 PolarHBondContact O-NH2 2.85Å; M134-I152 HydrophobicContact CE-CD1 3.57Å; M134-I152 HydrophobicContact CE-CG1 4.3Å; M134-I152 HydrophobicContact CE-CG2 4.3Å; M134-L167 HydrophobicContact SD-CD2 4.33Å; M134-L171 HydrophobicContact CE-CD2 4.21Å; M134-L171 HydrophobicContact CG-CD1 3.64Å; M134-L171 HydrophobicContact CG-CD2 4.09Å; M134-L171 HydrophobicContact SD-CD1 4.41Å; M134-L171 HydrophobicContact SD-CD2 4.23Å; M134-L190 HydrophobicContact CG-CB 4.29Å; M134-L190 HydrophobicContact CG-CD2 3.93Å; M134-L190 HydrophobicContact CG-CG 4.49Å; M134-L190 HydrophobicContact SD-CD2 3.99Å
135	S	84.2	Confident	84.3	Confident	30 Å²	30	59.5 Å²	59.5	21%	0.21	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	114.3	172.8	167.6	0	0	0	0	108.9	N188 L190 D191 I192	S135-N188 VanDerWaalsContact CB-ND2 3.3Å; S135-N188 WeakPolarHBondContact CB-ND2 3.47Å; S135-N188 PolarHBondContact OG-ND2 3.45Å; S135-L190 PolarHBondContact N-O 2.75Å; S135-D191 WeakPolarHBondContact CB-OD1 3.27Å; S135-D191 CarbonylContact O-C 3.33Å; S135-D191 WeakPolarHBondContact O-CA 3.39Å; S135-D191 PolarHBondContact OG-OD1 3.15Å; S135-I192 PolarHBondContact O-N 2.9Å
136	I	86	Confident	84.2	Confident	8 Å²	8	60.5 Å²	60.5	4%	0.041	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	112.5	177.6	-60.4	156.4	0	0	0	106.3	F138 M139 F151 I152 L155 I192	I136-F138 HydrophobicContact CG2-CD1 3.78Å; I136-F138 HydrophobicContact CG2-CD2 4.04Å; I136-F138 HydrophobicContact CG2-CE1 3.44Å; I136-F138 VanDerWaalsContact CG2-CE1 3.44Å; I136-F138 HydrophobicContact CG2-CE2 3.72Å; I136-F138 HydrophobicContact CG2-CG 4.06Å; I136-F138 HydrophobicContact CG2-CZ 3.4Å; I136-F138 VanDerWaalsContact CG2-CZ 3.4Å; I136-F138 PolarHBondContact O-N 3.07Å; I136-F138 VanDerWaalsContact O-N 3.13Å; I136-M139 HydrophobicContact CB-CB 3.86Å; I136-M139 HydrophobicContact CB-CE 4.21Å; I136-M139 HydrophobicContact CD1-CE 4.21Å; I136-M139 HydrophobicContact CD1-SD 4.29Å; I136-M139 HydrophobicContact CG2-CB 4.11Å; I136-M139 VanDerWaalsContact O-CB 3.3Å; I136-M139 WeakPolarHBondContact O-CB 3.5Å; I136-M139 PolarHBondContact O-N 3.37Å; I136-F151 HydrophobicContact CD1-CD1 4.38Å; I136-F151 HydrophobicContact CD1-CE1 4.4Å; I136-F151 HydrophobicContact CG2-CE1 4.05Å; I136-I152 HydrophobicContact CD1-CG1 3.83Å; I136-L155 HydrophobicContact CD1-CD1 3.87Å; I136-I192 WeakPolarHBondContact CA-O 3.35Å; I136-I192 HydrophobicContact CG1-CB 4.13Å; I136-I192 HydrophobicContact CG1-CD1 4.03Å
137	S	85.3	Confident	84	Confident	80 Å²	80	59.5 Å²	59.5	56%	0.559	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-31.1	-169.1	65	0	0	0	0	113.7	I192 V193	S137-I192 PolarHBondContact N-O 2.99Å; S137-I192 PolarHBondContact OG-O 3.41Å; S137-V193 WeakPolarHBondContact OG-CA 3.38Å; S137-V193 PolarHBondContact OG-O 3.32Å
138	F	85.5	Confident	84	Confident	79 Å²	79	61.9 Å²	61.9	35%	0.346	35%	0.348	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	6.7	-179.2	59.3	-90.8	0	0	0	113.4	I136 F151 L155 V193 V195	I136-F138 HydrophobicContact CG2-CD1 3.78Å; I136-F138 HydrophobicContact CG2-CD2 4.04Å; I136-F138 HydrophobicContact CG2-CE1 3.44Å; I136-F138 VanDerWaalsContact CG2-CE1 3.44Å; I136-F138 HydrophobicContact CG2-CE2 3.72Å; I136-F138 HydrophobicContact CG2-CG 4.06Å; I136-F138 HydrophobicContact CG2-CZ 3.4Å; I136-F138 VanDerWaalsContact CG2-CZ 3.4Å; I136-F138 PolarHBondContact O-N 3.07Å; I136-F138 VanDerWaalsContact O-N 3.13Å; F138-F151 HydrophobicContact CD2-CE1 4.26Å; F138-F151 AromaticContact CD2-CZ 3.74Å; F138-F151 HydrophobicContact CD2-CZ 3.74Å; F138-F151 AromaticContact CE2-CE1 3.96Å; F138-F151 HydrophobicContact CE2-CE1 3.96Å; F138-F151 AromaticContact CE2-CZ 3.76Å; F138-F151 HydrophobicContact CE2-CZ 3.76Å; F138-L155 HydrophobicContact CE2-CD2 3.69Å; F138-L155 HydrophobicContact CZ-CD2 3.94Å; F138-V193 WeakPolarHBondContact CD1-O 3.49Å; F138-V195 HydrophobicContact CZ-CG2 3.98Å
139	M	87.7	Confident	84	Confident	10 Å²	10	63.8 Å²	63.8	5%	0.049	36%	0.356	C	S	.	.	S	Bend	trans	-79.4	133.4	172.9	-176.7	167.5	52.1	0	0	110.2	I136 N141 L143 R148 F151	I136-M139 HydrophobicContact CB-CB 3.86Å; I136-M139 HydrophobicContact CB-CE 4.21Å; I136-M139 HydrophobicContact CD1-CE 4.21Å; I136-M139 HydrophobicContact CD1-SD 4.29Å; I136-M139 HydrophobicContact CG2-CB 4.11Å; I136-M139 VanDerWaalsContact O-CB 3.3Å; I136-M139 WeakPolarHBondContact O-CB 3.5Å; I136-M139 PolarHBondContact O-N 3.37Å; M139-N141 PolarHBondContact O-N 2.7Å; M139-L143 HydrophobicContact CG-CD1 3.88Å; M139-L143 HydrophobicContact SD-CD1 4.46Å; M139-R148 HydrophobicContact CE-CG 4.39Å; M139-R148 HydrophobicContact SD-CB 4.19Å; M139-R148 HydrophobicContact SD-CG 4.01Å; M139-F151 HydrophobicContact CB-CD1 3.93Å; M139-F151 HydrophobicContact CB-CE1 3.57Å; M139-F151 HydrophobicContact CB-CZ 3.95Å; M139-F151 HydrophobicContact CG-CD1 3.58Å; M139-F151 HydrophobicContact CG-CD2 4.37Å; M139-F151 HydrophobicContact CG-CE1 3.76Å; M139-F151 HydrophobicContact CG-CG 3.9Å; M139-F151 HydrophobicContact CG-CZ 4.22Å; M139-F151 HydrophobicContact SD-CB 4.2Å; M139-F151 HydrophobicContact SD-CD1 3.56Å; M139-F151 VanDerWaalsContact SD-CD1 3.56Å; M139-F151 HydrophobicContact SD-CE1 4.19Å; M139-F151 HydrophobicContact SD-CG 4.03Å
140	P	83.1	Confident	84	Confident	61 Å²	61	61.1 Å²	61.1	40%	0.396	34%	0.343	S	S	.	.			trans	-63	128.7	177.3	-19.8	29.3	0	0	0	112.5	T142 L143	P140-T142 PolarHBondContact O-N 3.41Å; P140-T142 VanDerWaalsContact O-N 3.13Å; P140-L143 HydrophobicContact CB-CD1 4.31Å; P140-L143 HydrophobicContact CB-CG 4.15Å; P140-L143 HydrophobicContact CG-CD1 4.21Å; P140-L143 HydrophobicContact CG-CG 4.49Å; P140-L143 WeakPolarHBondContact O-CG 3.47Å; P140-L143 PolarHBondContact O-N 3.5Å
141	N	78.1	Confident	84.1	Confident	162 Å²	162	61.7 Å²	61.7	87%	0.866	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-14	179.4	-65.6	-14.7	0	0	0	113.9	M139 L143	M139-N141 PolarHBondContact O-N 2.7Å; N141-L143 VanDerWaalsContact C-N 3.32Å
142	T	80.9	Confident	84.4	Confident	133 Å²	133	61.5 Å²	61.5	82%	0.816	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.4	-3.8	-177.8	53.2	0	0	0	0	113.8	P140	P140-T142 PolarHBondContact O-N 3.41Å; P140-T142 VanDerWaalsContact O-N 3.13Å
143	L	83.1	Confident	84.8	Confident	56 Å²	56	59.9 Å²	59.9	29%	0.293	33%	0.332	S	S	.	.			trans	-77.8	122.9	-177.9	-64.8	175.1	0	0	0	111	M139 P140 N141 R148 F151	M139-L143 HydrophobicContact CG-CD1 3.88Å; M139-L143 HydrophobicContact SD-CD1 4.46Å; P140-L143 HydrophobicContact CB-CD1 4.31Å; P140-L143 HydrophobicContact CB-CG 4.15Å; P140-L143 HydrophobicContact CG-CD1 4.21Å; P140-L143 HydrophobicContact CG-CG 4.49Å; P140-L143 WeakPolarHBondContact O-CG 3.47Å; P140-L143 PolarHBondContact O-N 3.5Å; N141-L143 VanDerWaalsContact C-N 3.32Å; L143-R148 HydrophobicContact CB-CG 3.92Å; L143-F151 HydrophobicContact CD1-CB 4.01Å; L143-F151 HydrophobicContact CD1-CD2 4.22Å; L143-F151 HydrophobicContact CD1-CG 4.25Å
144	G	85.7	Confident	85	Confident	51 Å²	51	59 Å²	59	53%	0.526	33%	0.328	S	S	.	.			trans	-67.8	175.5	163.6	0	0	0	0	0	112	F146 G147 R148	G144-F146 VanDerWaalsContact C-N 3.33Å; G144-F146 PolarHBondContact O-N 2.98Å; G144-G147 WeakPolarHBondContact O-CA 3.24Å; G144-G147 PolarHBondContact O-N 2.86Å; G144-R148 PolarHBondContact O-N 3.39Å
145	D	84.8	Confident	85.2	Confident	89 Å²	89	59 Å²	59	48%	0.476	33%	0.328	S	S	.	.	H	α-helix	trans	-52	-46.6	-173.2	-64.8	-24.4	0	0	0	113.4	H131 G147 R148 K149	H131-D145 IonicContact CE1-OD1 2.77Å; H131-D145 IonicContact NE2-OD1 2.7Å; D145-G147 VanDerWaalsContact C-N 3.31Å; D145-G147 PolarHBondContact O-N 2.9Å; D145-R148 PolarHBondContact O-N 3.01Å; D145-K149 VanDerWaalsContact O-CG 3.31Å; D145-K149 WeakPolarHBondContact O-CG 3.46Å; D145-K149 PolarHBondContact O-N 3.1Å
146	F	84.6	Confident	85.4	Confident	166 Å²	166	57.7 Å²	57.7	73%	0.728	32%	0.318	S	S	*	.	H	α-helix	trans	-61.1	-40.7	177	-179.9	-94.2	0	0	0	112.4	G144 T150	G144-F146 VanDerWaalsContact C-N 3.33Å; G144-F146 PolarHBondContact O-N 2.98Å; F146-T150 WeakPolarHBondContact O-CB 3.46Å; F146-T150 PolarHBondContact O-N 3.18Å; F146-T150 PolarHBondContact O-OG1 3.36Å
147	G	85.5	Confident	85.2	Confident	20 Å²	20	58.1 Å²	58.1	21%	0.206	32%	0.322	C	S	.	.	H	α-helix	trans	-64.3	-44.2	177.3	0	0	0	0	0	111.8	G144 D145 T150 F151	G144-G147 WeakPolarHBondContact O-CA 3.24Å; G144-G147 PolarHBondContact O-N 2.86Å; D145-G147 VanDerWaalsContact C-N 3.31Å; D145-G147 PolarHBondContact O-N 2.9Å; G147-T150 PolarHBondContact O-N 3.15Å; G147-F151 WeakPolarHBondContact O-CB 3.23Å; G147-F151 PolarHBondContact O-N 2.91Å
148	R	88	Confident	84.6	Confident	50 Å²	50	56 Å²	56	19%	0.189	31%	0.309	C	S	.	.	H	α-helix	trans	-62	-47.2	176.1	-68.1	177.6	62.7	96.3	-0	111.8	H131 M134 M139 L143 G144 D145 T150 F151 I152	H131-R148 PolarHBondContact O-NH2 3.05Å; M134-R148 PolarHBondContact O-NH2 2.85Å; M139-R148 HydrophobicContact CE-CG 4.39Å; M139-R148 HydrophobicContact SD-CB 4.19Å; M139-R148 HydrophobicContact SD-CG 4.01Å; L143-R148 HydrophobicContact CB-CG 3.92Å; G144-R148 PolarHBondContact O-N 3.39Å; D145-R148 PolarHBondContact O-N 3.01Å; R148-T150 VanDerWaalsContact C-N 3.3Å; R148-T150 PolarHBondContact O-N 2.85Å; R148-F151 WeakPolarHBondContact O-CB 3.34Å; R148-F151 PolarHBondContact O-N 3.31Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 3.21Å
149	K	87.4	Confident	84	Confident	57 Å²	57	55 Å²	55	25%	0.248	31%	0.307	C	S	.	.	H	α-helix	trans	-57.6	-43.4	176.4	-70.4	179.4	-167.5	-152.4	0	111.7	M128 D129 D145 K153	M128-K149 HydrophobicContact CB-CD 4.11Å; M128-K149 HydrophobicContact CB-CG 4.43Å; M128-K149 WeakPolarHBondContact O-CE 3.35Å; M128-K149 PolarHBondContact O-NZ 3.09Å; M128-K149 VanDerWaalsContact O-NZ 3.11Å; M128-K149 HydrophobicContact SD-CB 3.64Å; M128-K149 HydrophobicContact SD-CD 4.24Å; M128-K149 HydrophobicContact SD-CG 3.75Å; D129-K149 IonicContact OD1-NZ 2.69Å; D145-K149 VanDerWaalsContact O-CG 3.31Å; D145-K149 WeakPolarHBondContact O-CG 3.46Å; D145-K149 PolarHBondContact O-N 3.1Å; K149-K153 WeakPolarHBondContact O-CG 3.41Å; K149-K153 PolarHBondContact O-N 3.1Å
150	T	84.2	Confident	83.8	Confident	41 Å²	41	54.7 Å²	54.7	25%	0.252	31%	0.306	S	S	.	.	H	α-helix	trans	-66.1	-42.5	176.7	-55.3	0	0	0	0	111.6	F146 G147 R148 K153 S154 M634	F146-T150 WeakPolarHBondContact O-CB 3.46Å; F146-T150 PolarHBondContact O-N 3.18Å; F146-T150 PolarHBondContact O-OG1 3.36Å; G147-T150 PolarHBondContact O-N 3.15Å; R148-T150 VanDerWaalsContact C-N 3.3Å; R148-T150 PolarHBondContact O-N 2.85Å; T150-K153 PolarHBondContact O-N 3.09Å; T150-S154 PolarHBondContact O-N 3.31Å; T150-M634 HydrophobicContact CG2-CE 4.24Å; T150-M634 HydrophobicContact CG2-SD 4.17Å
151	F	86.7	Confident	84	Confident	38 Å²	38	57.2 Å²	57.2	17%	0.167	31%	0.311	C	S	.	.	H	α-helix	trans	-59.8	-48.7	177.2	-174.5	-89.6	0	0	0	111.6	I136 F138 M139 L143 G147 R148 K153 S154 L155	I136-F151 HydrophobicContact CD1-CD1 4.38Å; I136-F151 HydrophobicContact CD1-CE1 4.4Å; I136-F151 HydrophobicContact CG2-CE1 4.05Å; F138-F151 HydrophobicContact CD2-CE1 4.26Å; F138-F151 AromaticContact CD2-CZ 3.74Å; F138-F151 HydrophobicContact CD2-CZ 3.74Å; F138-F151 AromaticContact CE2-CE1 3.96Å; F138-F151 HydrophobicContact CE2-CE1 3.96Å; F138-F151 AromaticContact CE2-CZ 3.76Å; F138-F151 HydrophobicContact CE2-CZ 3.76Å; M139-F151 HydrophobicContact CB-CD1 3.93Å; M139-F151 HydrophobicContact CB-CE1 3.57Å; M139-F151 HydrophobicContact CB-CZ 3.95Å; M139-F151 HydrophobicContact CG-CD1 3.58Å; M139-F151 HydrophobicContact CG-CD2 4.37Å; M139-F151 HydrophobicContact CG-CE1 3.76Å; M139-F151 HydrophobicContact CG-CG 3.9Å; M139-F151 HydrophobicContact CG-CZ 4.22Å; M139-F151 HydrophobicContact SD-CB 4.2Å; M139-F151 HydrophobicContact SD-CD1 3.56Å; M139-F151 VanDerWaalsContact SD-CD1 3.56Å; M139-F151 HydrophobicContact SD-CE1 4.19Å; M139-F151 HydrophobicContact SD-CG 4.03Å; L143-F151 HydrophobicContact CD1-CB 4.01Å; L143-F151 HydrophobicContact CD1-CD2 4.22Å; L143-F151 HydrophobicContact CD1-CG 4.25Å; G147-F151 WeakPolarHBondContact O-CB 3.23Å; G147-F151 PolarHBondContact O-N 2.91Å; R148-F151 WeakPolarHBondContact O-CB 3.34Å; R148-F151 PolarHBondContact O-N 3.31Å; F151-K153 VanDerWaalsContact C-N 3.32Å; F151-K153 PolarHBondContact O-N 2.74Å; F151-S154 WeakPolarHBondContact O-CA 3.5Å; F151-S154 WeakPolarHBondContact O-CB 3.46Å; F151-S154 PolarHBondContact O-N 3.3Å; F151-S154 PolarHBondContact O-OG 3.33Å; F151-L155 HydrophobicContact CD1-CD2 4.45Å; F151-L155 HydrophobicContact CE1-CD2 3.92Å; F151-L155 HydrophobicContact CE1-CG 4.49Å; F151-L155 HydrophobicContact CZ-CD2 4.37Å; F151-L155 PolarHBondContact O-N 3.49Å
152	I	88.5	Confident	84.5	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.272	C	S	.	.	H	α-helix	trans	-57.9	-45.1	177.7	-68.3	157.5	0	0	0	111.1	L127 M128 H131 M134 I136 R148 S154 L155 L167	L127-I152 HydrophobicContact CD2-CG2 4.47Å; M128-I152 HydrophobicContact CE-CG2 4.45Å; H131-I152 HydrophobicContact CB-CD1 3.8Å; M134-I152 HydrophobicContact CE-CD1 3.57Å; M134-I152 HydrophobicContact CE-CG1 4.3Å; M134-I152 HydrophobicContact CE-CG2 4.3Å; I136-I152 HydrophobicContact CD1-CG1 3.83Å; R148-I152 WeakPolarHBondContact O-CG1 3.46Å; R148-I152 PolarHBondContact O-N 3.21Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 2.82Å; I152-L155 VanDerWaalsContact O-CB 3.29Å; I152-L155 WeakPolarHBondContact O-CB 3.27Å; I152-L155 WeakPolarHBondContact O-CG 3.45Å; I152-L155 PolarHBondContact O-N 2.92Å; I152-L167 HydrophobicContact CG2-CD2 4.49Å
153	K	86.2	Confident	85	Confident	88 Å²	88	43.7 Å²	43.7	38%	0.383	23%	0.234	S	C	.	.	H	α-helix	trans	-61.1	-37.8	175.9	-71.8	-179	178.2	-173.2	0	112	M128 K149 T150 F151 L155 F156 L164 Q638	M128-K153 HydrophobicContact CE-CD 4.33Å; M128-K153 HydrophobicContact CE-CG 3.81Å; K149-K153 WeakPolarHBondContact O-CG 3.41Å; K149-K153 PolarHBondContact O-N 3.1Å; T150-K153 PolarHBondContact O-N 3.09Å; F151-K153 VanDerWaalsContact C-N 3.32Å; F151-K153 PolarHBondContact O-N 2.74Å; K153-L155 PolarHBondContact O-N 2.76Å; K153-F156 PolarHBondContact O-N 3.15Å; K153-L164 HydrophobicContact CG-CD1 4.37Å; K153-Q638 PolarHBondContact O-NE2 3.37Å
154	S	85.8	Confident	85.4	Confident	18 Å²	18	41.7 Å²	41.7	13%	0.126	22%	0.223	C	C	.	.	H	α-helix	trans	-68.2	-12	179.4	81.5	0	0	0	0	114.5	T150 F151 I152 F156 R645	T150-S154 PolarHBondContact O-N 3.31Å; F151-S154 WeakPolarHBondContact O-CA 3.5Å; F151-S154 WeakPolarHBondContact O-CB 3.46Å; F151-S154 PolarHBondContact O-N 3.3Å; F151-S154 PolarHBondContact O-OG 3.33Å; I152-S154 VanDerWaalsContact C-N 3.27Å; I152-S154 PolarHBondContact O-N 2.82Å; S154-F156 PolarHBondContact O-N 3.33Å; S154-R645 PolarHBondContact O-NH2 3.07Å
155	L	88	Confident	85.7	Confident	2 Å²	2	43.4 Å²	43.4	1%	0.01	21%	0.214	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-27.3	175.9	-61.2	174.3	0	0	0	112.1	I136 F138 F151 I152 K153 V195 R645	I136-L155 HydrophobicContact CD1-CD1 3.87Å; F138-L155 HydrophobicContact CE2-CD2 3.69Å; F138-L155 HydrophobicContact CZ-CD2 3.94Å; F151-L155 HydrophobicContact CD1-CD2 4.45Å; F151-L155 HydrophobicContact CE1-CD2 3.92Å; F151-L155 HydrophobicContact CE1-CG 4.49Å; F151-L155 HydrophobicContact CZ-CD2 4.37Å; F151-L155 PolarHBondContact O-N 3.49Å; I152-L155 VanDerWaalsContact O-CB 3.29Å; I152-L155 WeakPolarHBondContact O-CB 3.27Å; I152-L155 WeakPolarHBondContact O-CG 3.45Å; I152-L155 PolarHBondContact O-N 2.92Å; K153-L155 PolarHBondContact O-N 2.76Å; L155-V195 HydrophobicContact CB-CG1 4.46Å; L155-V195 HydrophobicContact CD1-CG2 4.22Å; L155-V195 HydrophobicContact CD2-CG2 4.49Å; L155-R645 PolarHBondContact O-NH2 3.03Å
156	F	88.1	Confident	86	Confident	1 Å²	1	39.2 Å²	39.2	0%	0.004	19%	0.191	C	C	.	.	S	Bend	trans	-117.5	162.5	-174.1	-49.3	-73.1	0	0	0	111.1	L60 Y62 K153 S154 V163 L164 L167 V195 Q638	L60-F156 HydrophobicContact CD2-CE1 4.34Å; L60-F156 HydrophobicContact CD2-CZ 3.91Å; Y62-F156 AromaticContact CD1-CD1 3.72Å; Y62-F156 HydrophobicContact CD1-CD1 3.72Å; Y62-F156 AromaticContact CD1-CE1 3.71Å; Y62-F156 HydrophobicContact CD1-CE1 3.71Å; Y62-F156 AromaticContact CD2-CD1 3.75Å; Y62-F156 HydrophobicContact CD2-CD1 3.75Å; Y62-F156 HydrophobicContact CD2-CE1 4.37Å; Y62-F156 HydrophobicContact CE1-CD1 4.06Å; Y62-F156 HydrophobicContact CE1-CE1 4.37Å; Y62-F156 HydrophobicContact CE2-CD1 4.08Å; Y62-F156 AromaticContact CG-CD1 3.56Å; Y62-F156 HydrophobicContact CG-CD1 3.56Å; Y62-F156 AromaticContact CG-CE1 3.72Å; Y62-F156 HydrophobicContact CG-CE1 3.72Å; K153-F156 PolarHBondContact O-N 3.15Å; S154-F156 PolarHBondContact O-N 3.33Å; F156-V163 HydrophobicContact CB-CG1 4.45Å; F156-V163 HydrophobicContact CD1-CG1 3.49Å; F156-V163 VanDerWaalsContact CD1-CG1 3.49Å; F156-V163 HydrophobicContact CD2-CG1 4.49Å; F156-V163 HydrophobicContact CE1-CG1 3.78Å; F156-V163 HydrophobicContact CG-CG1 3.88Å; F156-V163 HydrophobicContact CZ-CG1 4.4Å; F156-L164 HydrophobicContact CD2-CD2 3.59Å; F156-L164 HydrophobicContact CE2-CD2 3.97Å; F156-L167 HydrophobicContact CE2-CD2 3.84Å; F156-L167 HydrophobicContact CZ-CD2 3.9Å; F156-V195 HydrophobicContact CE1-CG1 4Å; F156-V195 HydrophobicContact CZ-CG1 4.49Å; F156-Q638 PolarHBondContact O-NE2 2.87Å
157	P	81.7	Confident	86.4	Confident	17 Å²	17	31.4 Å²	31.4	11%	0.11	16%	0.157	C	C	.	.			trans	-59.3	142	171.7	-20.2	30.6	0	0	0	111.3	Y62 P64 N159 S160 V642	Y62-P157 HydrophobicContact CE2-CG 4.31Å; P64-P157 HydrophobicContact CB-CG 4.4Å; P64-P157 HydrophobicContact CG-CG 4.18Å; P157-N159 PolarHBondContact O-N 3.35Å; P157-S160 WeakPolarHBondContact O-CB 3.31Å; P157-S160 PolarHBondContact O-N 3.07Å; P157-V642 HydrophobicContact CG-CG1 4.37Å
158	A	73.1	Confident	86.8	Confident	35 Å²	35	30.4 Å²	30.4	29%	0.289	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-27.7	-172.2	0	0	0	0	0	115	M635	A158-M635 HydrophobicContact CB-CE 3.77Å; A158-M635 HydrophobicContact CB-SD 3.16Å; A158-M635 WeakPolarHBondContact CB-SD 3.47Å
159	N	72.8	Confident	86.8	Confident	58 Å²	58	28 Å²	28	31%	0.31	14%	0.138	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.5	17.2	-179	-74.7	-46.6	0	0	0	114	P157 K208	P157-N159 PolarHBondContact O-N 3.35Å; N159-K208 HydrophobicContact CB-CD 4.22Å
160	S	82.8	Confident	87	Confident	5 Å²	5	25.3 Å²	25.3	4%	0.035	13%	0.127	C	C	.	.			trans	-102.7	67	-178.4	-63.2	0	0	0	0	112.3	D65 P157 L164	D65-S160 VanDerWaalsContact OD1-CA 3.29Å; D65-S160 WeakPolarHBondContact OD1-CA 3.28Å; D65-S160 WeakPolarHBondContact OD2-CA 3.42Å; P157-S160 WeakPolarHBondContact O-CB 3.31Å; P157-S160 PolarHBondContact O-N 3.07Å; S160-L164 PolarHBondContact O-N 3.39Å
161	K	87.6	Confident	87.2	Confident	113 Å²	113	23.4 Å²	23.4	49%	0.491	12%	0.115	S	C	.	.	H	α-helix	trans	-70.3	-35.6	-179.2	-66.3	-173.4	179.2	-179.3	0	112	D65 E124 V163 L164 R165	D65-K161 PolarHBondContact OD2-N 3.4Å; E124-K161 WeakPolarHBondContact OE1-CB 3.37Å; E124-K161 WeakPolarHBondContact OE1-CD 3.22Å; E124-K161 VanDerWaalsContact OE1-CG 3.28Å; E124-K161 WeakPolarHBondContact OE1-CG 3.22Å; K161-V163 VanDerWaalsContact C-N 3.33Å; K161-L164 PolarHBondContact O-N 3.46Å; K161-R165 WeakPolarHBondContact O-CG 3.49Å; K161-R165 PolarHBondContact O-N 3.29Å
162	L	89.5	Confident	87.2	Confident	11 Å²	11	23.4 Å²	23.4	6%	0.058	11%	0.114	C	C	.	.	H	α-helix	trans	-67.9	-35.6	179	-55.5	178.9	0	0	0	111.3	C42 A44 K47 D65 R165 A166	C42-L162 HydrophobicContact CB-CB 4.3Å; A44-L162 HydrophobicContact CB-CD2 3.82Å; K47-L162 HydrophobicContact CB-CD1 3.6Å; K47-L162 WeakPolarHBondContact O-CD1 3.48Å; D65-L162 HydrophobicContact CB-CD1 4.44Å; D65-L162 VanDerWaalsContact CG-N 3.35Å; D65-L162 WeakPolarHBondContact OD1-CB 3.27Å; D65-L162 PolarHBondContact OD1-N 2.95Å; D65-L162 VanDerWaalsContact OD1-N 3.13Å; D65-L162 WeakPolarHBondContact OD2-CG 3.21Å; D65-L162 PolarHBondContact OD2-N 3.01Å; L162-R165 PolarHBondContact O-N 3.26Å; L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 2.83Å
163	V	90.7	Very high	87	Confident	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.117	C	C	.	.	H	α-helix	trans	-59	-46.3	171	174.6	0	0	0	0	111.6	V51 Y62 M63 D65 F156 K161 R165 A166 L167	V51-V163 HydrophobicContact CG2-CG1 3.81Å; V51-V163 WeakPolarHBondContact CG2-O 3.38Å; Y62-V163 HydrophobicContact CD2-CG1 4.22Å; Y62-V163 HydrophobicContact CD2-CG2 4.45Å; Y62-V163 HydrophobicContact CG-CG1 4.3Å; M63-V163 WeakPolarHBondContact O-CG2 3.38Å; D65-V163 PolarHBondContact OD1-N 3.25Å; F156-V163 HydrophobicContact CB-CG1 4.45Å; F156-V163 HydrophobicContact CD1-CG1 3.49Å; F156-V163 VanDerWaalsContact CD1-CG1 3.49Å; F156-V163 HydrophobicContact CD2-CG1 4.49Å; F156-V163 HydrophobicContact CE1-CG1 3.78Å; F156-V163 HydrophobicContact CG-CG1 3.88Å; F156-V163 HydrophobicContact CZ-CG1 4.4Å; K161-V163 VanDerWaalsContact C-N 3.33Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.06Å; V163-A166 PolarHBondContact O-N 3.26Å; V163-L167 PolarHBondContact O-N 3.48Å
164	L	91.5	Very high	86.9	Confident	15 Å²	15	20.8 Å²	20.8	8%	0.079	10%	0.102	C	C	.	.	H	α-helix	trans	-62.5	-39.9	176.9	-67.1	175.1	0	0	0	111.8	E124 L127 K153 F156 S160 K161 L167 S168	E124-L164 HydrophobicContact CG-CB 4.01Å; E124-L164 HydrophobicContact CG-CD1 4.31Å; L127-L164 HydrophobicContact CD2-CB 4.18Å; L127-L164 HydrophobicContact CD2-CD2 3.98Å; K153-L164 HydrophobicContact CG-CD1 4.37Å; F156-L164 HydrophobicContact CD2-CD2 3.59Å; F156-L164 HydrophobicContact CE2-CD2 3.97Å; S160-L164 PolarHBondContact O-N 3.39Å; K161-L164 PolarHBondContact O-N 3.46Å; L164-L167 PolarHBondContact O-N 3.47Å; L164-S168 WeakPolarHBondContact O-CB 3.43Å; L164-S168 PolarHBondContact O-N 2.94Å
165	R	92.9	Very high	86.5	Confident	87 Å²	87	21.4 Å²	21.4	33%	0.328	11%	0.105	S	C	.	.	H	α-helix	trans	-67.7	-37.7	175.5	-67.3	175.9	-171.6	-166	-3.3	112.5	C42 Y122 E124 K161 L162 V163 S168 G169	C42-R165 HydrophobicContact CB-CB 4.32Å; Y122-R165 VanDerWaalsContact CD1-O 3.31Å; Y122-R165 WeakPolarHBondContact CD1-O 3.28Å; Y122-R165 WeakPolarHBondContact O-CB 3.18Å; Y122-R165 WeakPolarHBondContact O-CD 3.33Å; Y122-R165 VanDerWaalsContact O-CG 3.28Å; Y122-R165 WeakPolarHBondContact O-CG 3.13Å; E124-R165 HydrophobicContact CG-CG 4.35Å; K161-R165 WeakPolarHBondContact O-CG 3.49Å; K161-R165 PolarHBondContact O-N 3.29Å; L162-R165 PolarHBondContact O-N 3.26Å; V163-R165 VanDerWaalsContact C-N 3.32Å; V163-R165 PolarHBondContact O-N 3.06Å; R165-S168 WeakPolarHBondContact O-CB 3.31Å; R165-S168 PolarHBondContact O-N 2.88Å; R165-G169 PolarHBondContact O-N 3.3Å
166	A	91.4	Very high	85.8	Confident	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	H	α-helix	trans	-65.2	-44.2	174	0	0	0	0	0	110.9	S40 C42 V51 L162 V163 S168 G169 L170	S40-A166 WeakPolarHBondContact CB-O 3.31Å; S40-A166 WeakPolarHBondContact OG-CA 3.25Å; S40-A166 PolarHBondContact OG-O 3.1Å; C42-A166 HydrophobicContact CB-CB 4.04Å; V51-A166 HydrophobicContact CB-CB 4.23Å; V51-A166 HydrophobicContact CG2-CB 3.91Å; L162-A166 WeakPolarHBondContact O-CB 3.47Å; L162-A166 PolarHBondContact O-N 2.83Å; V163-A166 PolarHBondContact O-N 3.26Å; A166-S168 PolarHBondContact O-N 3.23Å; A166-G169 PolarHBondContact O-N 3.1Å; A166-G169 VanDerWaalsContact O-N 3.15Å; A166-L170 PolarHBondContact O-N 2.86Å
167	L	93	Very high	84.5	Confident	2 Å²	2	28.4 Å²	28.4	1%	0.01	14%	0.136	C	C	.	.	H	α-helix	trans	-58.2	-39.2	172.8	-178.3	60.3	0	0	0	111.6	V51 L60 L127 M134 I152 F156 V163 L164 L170 L171 L190	V51-L167 HydrophobicContact CG1-CD1 4.25Å; V51-L167 HydrophobicContact CG2-CB 4.22Å; L60-L167 HydrophobicContact CD1-CD1 4.2Å; L60-L167 HydrophobicContact CD2-CD1 3.91Å; L127-L167 HydrophobicContact CD1-CB 4.49Å; L127-L167 HydrophobicContact CD1-CD2 4.03Å; L127-L167 HydrophobicContact CD1-CG 3.87Å; L127-L167 HydrophobicContact CD2-CB 4.48Å; L127-L167 HydrophobicContact CD2-CD2 4.08Å; L127-L167 HydrophobicContact CD2-CG 4.42Å; M134-L167 HydrophobicContact SD-CD2 4.33Å; I152-L167 HydrophobicContact CG2-CD2 4.49Å; F156-L167 HydrophobicContact CE2-CD2 3.84Å; F156-L167 HydrophobicContact CZ-CD2 3.9Å; V163-L167 PolarHBondContact O-N 3.48Å; L164-L167 PolarHBondContact O-N 3.47Å; L167-L170 HydrophobicContact CD1-CD2 4.32Å; L167-L170 WeakPolarHBondContact O-CB 3.45Å; L167-L170 PolarHBondContact O-N 3.23Å; L167-L171 WeakPolarHBondContact O-CB 3.3Å; L167-L171 PolarHBondContact O-N 3.21Å; L167-L190 HydrophobicContact CD1-CD2 4.15Å
168	S	92.2	Very high	83.1	Confident	0 Å²	0	28.1 Å²	28.1	0%	0	14%	0.135	C	C	.	.	H	α-helix	trans	-59.4	-46.6	174.4	-165.2	0	0	0	0	112.6	Y121 S123 F126 L127 L164 R165 A166 L170 L171 Y172	Y121-S168 CarbonylContact O-C 3.58Å; Y121-S168 WeakPolarHBondContact O-CB 3.49Å; Y121-S168 PolarHBondContact O-OG 2.87Å; S123-S168 WeakPolarHBondContact O-CB 3.43Å; S123-S168 PolarHBondContact O-OG 2.98Å; F126-S168 WeakPolarHBondContact CD1-OG 3.32Å; L127-S168 PolarHBondContact N-OG 2.76Å; L164-S168 WeakPolarHBondContact O-CB 3.43Å; L164-S168 PolarHBondContact O-N 2.94Å; R165-S168 WeakPolarHBondContact O-CB 3.31Å; R165-S168 PolarHBondContact O-N 2.88Å; A166-S168 PolarHBondContact O-N 3.23Å; S168-L170 VanDerWaalsContact C-N 3.33Å; S168-L170 PolarHBondContact O-N 3.2Å; S168-L171 PolarHBondContact O-N 2.92Å; S168-Y172 PolarHBondContact O-N 2.89Å
169	G	89.6	Confident	81.9	Confident	0 Å²	0	33.3 Å²	33.3	0%	0	16%	0.158	C	C	.	.	H	α-helix	trans	-60.8	-40.5	175.4	0	0	0	0	0	112.8	I117 R165 A166 R173	I117-G169 VanDerWaalsContact CD1-O 3.27Å; I117-G169 WeakPolarHBondContact CD1-O 3.35Å; R165-G169 PolarHBondContact O-N 3.3Å; A166-G169 PolarHBondContact O-N 3.1Å; A166-G169 VanDerWaalsContact O-N 3.15Å; G169-R173 PolarHBondContact O-N 3.24Å; G169-R173 VanDerWaalsContact O-N 3.08Å
170	L	90	Very high	80.7	Confident	0 Å²	0	37.4 Å²	37.4	0%	0	18%	0.18	C	C	.	.	H	α-helix	trans	-62.4	-47.9	174	176.4	66.2	0	0	0	111.4	Y38 V51 W53 L60 L88 A166 L167 S168 Y172 R173 L174	Y38-L170 HydrophobicContact CG-CD1 4.21Å; V51-L170 HydrophobicContact CG1-CD2 4.06Å; W53-L170 HydrophobicContact CB-CD1 4.34Å; W53-L170 HydrophobicContact CB-CD2 3.48Å; W53-L170 VanDerWaalsContact CB-CD2 3.48Å; W53-L170 HydrophobicContact CE3-CD1 4.37Å; W53-L170 HydrophobicContact CG-CD2 4.09Å; L60-L170 HydrophobicContact CD1-CD2 4.02Å; L88-L170 HydrophobicContact CD1-CB 4.41Å; L88-L170 HydrophobicContact CD1-CD1 3.89Å; A166-L170 PolarHBondContact O-N 2.86Å; L167-L170 HydrophobicContact CD1-CD2 4.32Å; L167-L170 WeakPolarHBondContact O-CB 3.45Å; L167-L170 PolarHBondContact O-N 3.23Å; S168-L170 VanDerWaalsContact C-N 3.33Å; S168-L170 PolarHBondContact O-N 3.2Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-Y172 PolarHBondContact O-N 3.5Å; L170-R173 WeakPolarHBondContact O-CB 3.32Å; L170-R173 PolarHBondContact O-N 3.48Å; L170-R173 VanDerWaalsContact O-N 3.13Å; L170-L174 HydrophobicContact CD1-CD1 4.13Å; L170-L174 HydrophobicContact CD1-CG 4.27Å; L170-L174 HydrophobicContact CG-CD1 4.11Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 2.97Å
171	L	89	Confident	78.6	Confident	0 Å²	0	42.4 Å²	42.4	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-61	-41.9	-179.7	-173.6	64.3	0	0	0	111.8	L127 V133 M134 L167 S168 R173 L174 T175 L190	L127-L171 HydrophobicContact CD1-CD2 3.96Å; V133-L171 HydrophobicContact CB-CD1 4.23Å; V133-L171 HydrophobicContact CG1-CD1 4.06Å; M134-L171 HydrophobicContact CE-CD2 4.21Å; M134-L171 HydrophobicContact CG-CD1 3.64Å; M134-L171 HydrophobicContact CG-CD2 4.09Å; M134-L171 HydrophobicContact SD-CD1 4.41Å; M134-L171 HydrophobicContact SD-CD2 4.23Å; L167-L171 WeakPolarHBondContact O-CB 3.3Å; L167-L171 PolarHBondContact O-N 3.21Å; S168-L171 PolarHBondContact O-N 2.92Å; L171-R173 PolarHBondContact O-N 3.5Å; L171-L174 PolarHBondContact O-N 3.49Å; L171-T175 WeakPolarHBondContact O-CB 3.29Å; L171-T175 WeakPolarHBondContact O-CG2 3.3Å; L171-T175 PolarHBondContact O-N 3.26Å; L171-T175 PolarHBondContact O-OG1 3.25Å; L171-L190 HydrophobicContact CD1-CB 4.09Å; L171-L190 HydrophobicContact CD1-CD2 4.19Å
172	Y	87	Confident	76.5	Confident	39 Å²	39	46.5 Å²	46.5	15%	0.153	23%	0.226	C	C	.	.	H	α-helix	trans	-59.1	-45.8	173.5	173.1	-101.2	0	0	0	111.9	I117 Y121 F126 S168 L170 L174 T175 R176	I117-Y172 HydrophobicContact CD1-CD1 4.43Å; I117-Y172 HydrophobicContact CG2-CD1 3.62Å; I117-Y172 HydrophobicContact CG2-CE1 4.06Å; Y121-Y172 AromaticContact CD1-CD2 3.42Å; Y121-Y172 HydrophobicContact CD1-CD2 3.42Å; Y121-Y172 VanDerWaalsContact CD1-CD2 3.42Å; Y121-Y172 AromaticContact CD1-CE2 3.84Å; Y121-Y172 HydrophobicContact CD1-CE2 3.84Å; Y121-Y172 AromaticContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD1-CG 3.97Å; Y121-Y172 HydrophobicContact CD2-CD1 4.07Å; Y121-Y172 AromaticContact CD2-CD2 3.86Å; Y121-Y172 HydrophobicContact CD2-CD2 3.86Å; Y121-Y172 AromaticContact CD2-CE1 3.94Å; Y121-Y172 HydrophobicContact CD2-CE1 3.94Å; Y121-Y172 AromaticContact CD2-CE2 3.75Å; Y121-Y172 HydrophobicContact CD2-CE2 3.75Å; Y121-Y172 HydrophobicContact CD2-CG 4.02Å; Y121-Y172 AromaticContact CD2-CZ 3.78Å; Y121-Y172 AromaticContact CE1-CD2 3.62Å; Y121-Y172 HydrophobicContact CE1-CD2 3.62Å; Y121-Y172 AromaticContact CE1-CE2 3.59Å; Y121-Y172 HydrophobicContact CE1-CE2 3.59Å; Y121-Y172 HydrophobicContact CE2-CD2 4.04Å; Y121-Y172 HydrophobicContact CE2-CE1 4.18Å; Y121-Y172 AromaticContact CE2-CE2 3.49Å; Y121-Y172 HydrophobicContact CE2-CE2 3.49Å; Y121-Y172 VanDerWaalsContact CE2-CE2 3.49Å; Y121-Y172 AromaticContact CE2-CZ 3.56Å; Y121-Y172 HydrophobicContact CG-CD1 4.14Å; Y121-Y172 AromaticContact CG-CD2 3.55Å; Y121-Y172 HydrophobicContact CG-CD2 3.55Å; Y121-Y172 HydrophobicContact CG-CE1 4.44Å; Y121-Y172 AromaticContact CG-CE2 3.91Å; Y121-Y172 HydrophobicContact CG-CE2 3.91Å; Y121-Y172 AromaticContact CG-CG 3.67Å; Y121-Y172 HydrophobicContact CG-CG 3.67Å; Y121-Y172 AromaticContact CZ-CD2 3.91Å; Y121-Y172 AromaticContact CZ-CE2 3.39Å; Y121-Y172 AromaticContact CZ-CZ 3.95Å; F126-Y172 HydrophobicContact CZ-CD2 4.03Å; S168-Y172 PolarHBondContact O-N 2.89Å; L170-Y172 VanDerWaalsContact C-N 3.32Å; L170-Y172 PolarHBondContact O-N 3.5Å; Y172-L174 VanDerWaalsContact C-N 3.3Å; Y172-L174 PolarHBondContact O-N 2.83Å; Y172-T175 VanDerWaalsContact CA-OG1 3.26Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.44Å; Y172-T175 PolarHBondContact O-N 2.85Å; Y172-T175 PolarHBondContact O-OG1 3.37Å; Y172-R176 PolarHBondContact O-N 3.04Å
173	R	85.2	Confident	74	Confident	19 Å²	19	49.1 Å²	49.1	7%	0.072	24%	0.24	C	C	.	.	H	α-helix	trans	-60.4	-41.5	-180	176.3	62.6	-174.1	91.4	-9.1	112.5	L88 E115 I117 G169 L170 L171 N177	L88-R173 HydrophobicContact CD1-CB 3.66Å; L88-R173 HydrophobicContact CD1-CG 3.86Å; L88-R173 HydrophobicContact CD2-CB 4.27Å; L88-R173 HydrophobicContact CD2-CG 3.75Å; L88-R173 HydrophobicContact CG-CG 4.47Å; E115-R173 IonicContact OE1-CZ 3.8Å; E115-R173 VanDerWaalsContact OE1-CZ 3.3Å; E115-R173 IonicContact OE1-NE 2.67Å; E115-R173 PolarHBondContact OE1-NE 3.46Å; E115-R173 IonicContact OE1-NH2 3.5Å; E115-R173 PolarHBondContact OE1-NH2 2.94Å; E115-R173 VanDerWaalsContact OE2-CD 3.26Å; E115-R173 WeakPolarHBondContact OE2-CD 3.31Å; E115-R173 IonicContact OE2-CZ 3.5Å; E115-R173 IonicContact OE2-NE 2.69Å; E115-R173 PolarHBondContact OE2-NE 2.87Å; E115-R173 IonicContact OE2-NH2 2.71Å; I117-R173 HydrophobicContact CD1-CB 3.96Å; G169-R173 PolarHBondContact O-N 3.24Å; G169-R173 VanDerWaalsContact O-N 3.08Å; L170-R173 WeakPolarHBondContact O-CB 3.32Å; L170-R173 PolarHBondContact O-N 3.48Å; L170-R173 VanDerWaalsContact O-N 3.13Å; L171-R173 PolarHBondContact O-N 3.5Å; R173-N177 PolarHBondContact NH1-ND2 3.37Å; R173-N177 PolarHBondContact NH1-OD1 3.15Å
174	L	82.2	Confident	71.6	Confident	14 Å²	14	53.7 Å²	53.7	7%	0.073	27%	0.267	C	S	.	.	H	α-helix	trans	-73.8	-37.2	-178.7	-62.5	176.3	0	0	0	111.8	Y38 W53 L170 L171 Y172 N177 I189 L190	Y38-L174 HydrophobicContact CE2-CD2 4.44Å; W53-L174 HydrophobicContact CD2-CD1 4.35Å; W53-L174 HydrophobicContact CE3-CD1 3.82Å; W53-L174 HydrophobicContact CE3-CD2 4.11Å; W53-L174 HydrophobicContact CH2-CD1 3.94Å; W53-L174 HydrophobicContact CH2-CD2 4.14Å; W53-L174 HydrophobicContact CZ2-CD1 4.46Å; W53-L174 HydrophobicContact CZ3-CD1 3.61Å; W53-L174 HydrophobicContact CZ3-CD2 3.45Å; W53-L174 VanDerWaalsContact CZ3-CD2 3.45Å; W53-L174 HydrophobicContact CZ3-CG 4.18Å; L170-L174 HydrophobicContact CD1-CD1 4.13Å; L170-L174 HydrophobicContact CD1-CG 4.27Å; L170-L174 HydrophobicContact CG-CD1 4.11Å; L170-L174 WeakPolarHBondContact O-CG 3.4Å; L170-L174 PolarHBondContact O-N 2.97Å; L171-L174 PolarHBondContact O-N 3.49Å; Y172-L174 VanDerWaalsContact C-N 3.3Å; Y172-L174 PolarHBondContact O-N 2.83Å; L174-N177 PolarHBondContact O-N 2.65Å; L174-I189 HydrophobicContact CB-CG2 3.77Å; L174-I189 WeakPolarHBondContact O-CG2 3.2Å; L174-L190 HydrophobicContact CD1-CB 4.2Å; L174-L190 HydrophobicContact CD1-CD1 3.61Å; L174-L190 HydrophobicContact CD1-CG 4.35Å
175	T	77.5	Confident	69.4	Low	31 Å²	31	61.4 Å²	61.4	19%	0.19	31%	0.308	C	S	.	.	H	α-helix	trans	-65.7	-37.8	174.7	45.5	0	0	0	0	112.6	V133 L171 Y172 N177 A178 I189	V133-T175 HydrophobicContact CB-CG2 4.44Å; V133-T175 HydrophobicContact CG1-CG2 3.73Å; V133-T175 HydrophobicContact CG2-CG2 4.29Å; L171-T175 WeakPolarHBondContact O-CB 3.29Å; L171-T175 WeakPolarHBondContact O-CG2 3.3Å; L171-T175 PolarHBondContact O-N 3.26Å; L171-T175 PolarHBondContact O-OG1 3.25Å; Y172-T175 VanDerWaalsContact CA-OG1 3.26Å; Y172-T175 WeakPolarHBondContact CA-OG1 3.44Å; Y172-T175 PolarHBondContact O-N 2.85Å; Y172-T175 PolarHBondContact O-OG1 3.37Å; T175-N177 VanDerWaalsContact C-N 3.31Å; T175-N177 PolarHBondContact O-N 3.41Å; T175-A178 WeakPolarHBondContact O-CB 3.47Å; T175-A178 PolarHBondContact O-N 3.42Å; T175-I189 HydrophobicContact CG2-CD1 3.91Å
176	R	73.8	Confident	67.2	Low	97 Å²	97	64.5 Å²	64.5	37%	0.366	33%	0.331	S	S	.	.	H	α-helix	trans	-58.8	-39	178	-168.3	-178.8	73.9	-171.6	-5	113.3	E115 Y172 A178 D179	E115-R176 IonicContact OE2-NH2 3.09Å; E115-R176 PolarHBondContact OE2-NH2 3.16Å; Y172-R176 PolarHBondContact O-N 3.04Å; R176-A178 PolarHBondContact O-N 3.08Å; R176-D179 PolarHBondContact O-N 3.28Å
177	N	60.4	Low	65.4	Low	53 Å²	53	70.1 Å²	70.1	28%	0.283	36%	0.357	S	S	.	.	H	α-helix	trans	-70.2	-18.6	177.4	-86.2	6.7	0	0	0	113.1	R173 L174 T175 D179 D180 L181	R173-N177 PolarHBondContact NH1-ND2 3.37Å; R173-N177 PolarHBondContact NH1-OD1 3.15Å; L174-N177 PolarHBondContact O-N 2.65Å; T175-N177 VanDerWaalsContact C-N 3.31Å; T175-N177 PolarHBondContact O-N 3.41Å; N177-D179 VanDerWaalsContact C-N 3.3Å; N177-D180 PolarHBondContact O-N 3.47Å; N177-L181 PolarHBondContact O-N 2.86Å; N177-L181 VanDerWaalsContact O-N 3.09Å
178	A	53.1	Low	63.8	Low	11 Å²	11	73.8 Å²	73.8	9%	0.091	38%	0.377	C	S	.	.	H	α-helix	trans	-81.2	-7.5	179.5	0	0	0	0	0	113.5	T175 R176 L181 L183 I189	T175-A178 WeakPolarHBondContact O-CB 3.47Å; T175-A178 PolarHBondContact O-N 3.42Å; R176-A178 PolarHBondContact O-N 3.08Å; A178-L181 CarbonylContact C-O 3.49Å; A178-L183 HydrophobicContact CB-CB 4.27Å; A178-L183 HydrophobicContact CB-CD1 4.04Å; A178-I189 HydrophobicContact CB-CD1 3.47Å; A178-I189 VanDerWaalsContact CB-CD1 3.47Å; A178-I189 HydrophobicContact CB-CG1 4.25Å
179	D	48.8	Very low	62.8	Low	144 Å²	144	76 Å²	76	77%	0.77	39%	0.389	S	S	*	.	H	α-helix	trans	-82.3	-31.6	165.6	-74.1	-29	0	0	0	111.1	R176 N177	R176-D179 PolarHBondContact O-N 3.28Å; N177-D179 VanDerWaalsContact C-N 3.3Å
180	D	45.8	Very low	62.3	Low	144 Å²	144	76 Å²	76	77%	0.77	39%	0.389	S	S	*	.	H	α-helix	trans	-78.1	-34.7	176.9	-81.2	-23.7	0	0	0	112.9	N177	N177-D180 PolarHBondContact O-N 3.47Å
181	L	40.1	Very low	62	Low	111 Å²	111	78.9 Å²	78.9	58%	0.581	40%	0.404	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	118.3	165.3	-81.1	111.5	0	0	0	107.3	N177 A178 L183	N177-L181 PolarHBondContact O-N 2.86Å; N177-L181 VanDerWaalsContact O-N 3.09Å; A178-L181 CarbonylContact C-O 3.49Å; L181-L183 HydrophobicContact CB-CD1 3.98Å; L181-L183 HydrophobicContact CB-CG 4.11Å; L181-L183 PolarHBondContact O-N 3.35Å
182	H	41.8	Very low	61.8	Low	198 Å²	198	79 Å²	79	92%	0.917	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	56.7	174.3	-80.6	-64.4	0	0	0	115.5	T184	H182-T184 PolarHBondContact O-N 3.03Å
183	L	38	Very low	61.9	Low	67 Å²	67	80.8 Å²	80.8	35%	0.351	42%	0.419	S	S	.	.			trans	-86.1	102.8	178.7	-75.2	164.9	0	0	0	105.9	A178 L181 L185 Q187	A178-L183 HydrophobicContact CB-CB 4.27Å; A178-L183 HydrophobicContact CB-CD1 4.04Å; L181-L183 HydrophobicContact CB-CD1 3.98Å; L181-L183 HydrophobicContact CB-CG 4.11Å; L181-L183 PolarHBondContact O-N 3.35Å; L183-L185 PolarHBondContact O-N 2.91Å; L183-Q187 HydrophobicContact CD2-CB 4.47Å
184	T	39.7	Very low	62	Low	95 Å²	95	82.3 Å²	82.3	58%	0.583	43%	0.429	S	S	*	.			trans	-44.2	129.3	165.3	45.5	0	0	0	0	109.2	H182 N186 Q187	H182-T184 PolarHBondContact O-N 3.03Å; T184-N186 PolarHBondContact O-N 3.2Å; T184-Q187 PolarHBondContact O-N 3.46Å
185	L	46.1	Very low	62.3	Low	178 Å²	178	81.7 Å²	81.7	93%	0.932	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-42.2	-9.5	177.1	-85.4	147.1	0	0	0	116.7	L183	L183-L185 PolarHBondContact O-N 2.91Å
186	N	46	Very low	62.7	Low	152 Å²	152	83 Å²	83	81%	0.813	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.6	-4.1	178.3	-71.2	-11.9	0	0	0	114.9	T184	T184-N186 PolarHBondContact O-N 3.2Å
187	Q	53.7	Low	63.3	Low	117 Å²	117	79.2 Å²	79.2	55%	0.547	42%	0.416	S	S	.	.	S	Bend	trans	-94.9	125.7	173.1	-67.3	-168	-0.6	0	0	110.3	L183 T184 I189	L183-Q187 HydrophobicContact CD2-CB 4.47Å; T184-Q187 PolarHBondContact O-N 3.46Å; Q187-I189 PolarHBondContact O-N 3.4Å
188	N	59.5	Low	64.2	Low	80 Å²	80	77.7 Å²	77.7	43%	0.428	41%	0.408	S	S	.	.			trans	-64.1	126.1	174.8	-60.1	-44.6	0	0	0	108.9	S135	S135-N188 VanDerWaalsContact CB-ND2 3.3Å; S135-N188 WeakPolarHBondContact CB-ND2 3.47Å; S135-N188 PolarHBondContact OG-ND2 3.45Å
189	I	71	Confident	65	Low	47 Å²	47	80.7 Å²	80.7	24%	0.241	42%	0.42	C	S	.	.	S	Bend	trans	-89.7	-34.9	-174.3	-56.3	173.3	0	0	0	110.2	V133 L174 T175 A178 Q187	V133-I189 HydrophobicContact CG1-CB 3.56Å; V133-I189 HydrophobicContact CG1-CD1 3.66Å; V133-I189 HydrophobicContact CG1-CG1 3.71Å; V133-I189 PolarHBondContact O-N 2.93Å; L174-I189 HydrophobicContact CB-CG2 3.77Å; L174-I189 WeakPolarHBondContact O-CG2 3.2Å; T175-I189 HydrophobicContact CG2-CD1 3.91Å; A178-I189 HydrophobicContact CB-CD1 3.47Å; A178-I189 VanDerWaalsContact CB-CD1 3.47Å; A178-I189 HydrophobicContact CB-CG1 4.25Å; Q187-I189 PolarHBondContact O-N 3.4Å
190	L	79.5	Confident	66.1	Low	0 Å²	0	76 Å²	76	0%	0	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.7	95.6	176.7	-178.8	63.1	0	0	0	109.7	W53 V133 M134 S135 L167 L171 L174 I192	W53-L190 HydrophobicContact CD2-CD1 3.77Å; W53-L190 HydrophobicContact CE3-CD1 4.47Å; W53-L190 HydrophobicContact CG-CD1 4.01Å; W53-L190 HydrophobicContact CH2-CD1 4.46Å; W53-L190 HydrophobicContact CZ2-CD1 3.77Å; V133-L190 PolarHBondContact O-N 3.38Å; M134-L190 HydrophobicContact CG-CB 4.29Å; M134-L190 HydrophobicContact CG-CD2 3.93Å; M134-L190 HydrophobicContact CG-CG 4.49Å; M134-L190 HydrophobicContact SD-CD2 3.99Å; S135-L190 PolarHBondContact N-O 2.75Å; L167-L190 HydrophobicContact CD1-CD2 4.15Å; L171-L190 HydrophobicContact CD1-CB 4.09Å; L171-L190 HydrophobicContact CD1-CD2 4.19Å; L174-L190 HydrophobicContact CD1-CB 4.2Å; L174-L190 HydrophobicContact CD1-CD1 3.61Å; L174-L190 HydrophobicContact CD1-CG 4.35Å; L190-I192 HydrophobicContact CD1-CG1 4.32Å; L190-I192 HydrophobicContact CD2-CD1 3.97Å; L190-I192 HydrophobicContact CD2-CG1 4.36Å; L190-I192 HydrophobicContact CG-CD1 4.1Å; L190-I192 HydrophobicContact CG-CG1 3.96Å
191	D	83.2	Confident	67.3	Low	60 Å²	60	75.5 Å²	75.5	32%	0.321	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	122.9	169.4	-74.5	-41.8	0	0	0	110.3	H58 S135	H58-D191 WeakPolarHBondContact CB-O 3.25Å; H58-D191 PolarHBondContact ND1-O 3.37Å; S135-D191 WeakPolarHBondContact CB-OD1 3.27Å; S135-D191 CarbonylContact O-C 3.33Å; S135-D191 WeakPolarHBondContact O-CA 3.39Å; S135-D191 PolarHBondContact OG-OD1 3.15Å
192	I	86.3	Confident	69.3	Low	3 Å²	3	75.4 Å²	75.4	2%	0.015	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	112.2	179.2	-58.9	169	0	0	0	108.2	H58 L60 S135 I136 S137 L190 D194 V195	H58-I192 CarbonylContact O-C 3.59Å; H58-I192 WeakPolarHBondContact O-CA 3.23Å; L60-I192 HydrophobicContact CB-CG2 4.08Å; L60-I192 HydrophobicContact CD2-CD1 4.06Å; S135-I192 PolarHBondContact O-N 2.9Å; I136-I192 WeakPolarHBondContact CA-O 3.35Å; I136-I192 HydrophobicContact CG1-CB 4.13Å; I136-I192 HydrophobicContact CG1-CD1 4.03Å; S137-I192 PolarHBondContact N-O 2.99Å; S137-I192 PolarHBondContact OG-O 3.41Å; L190-I192 HydrophobicContact CD1-CG1 4.32Å; L190-I192 HydrophobicContact CD2-CD1 3.97Å; L190-I192 HydrophobicContact CD2-CG1 4.36Å; L190-I192 HydrophobicContact CG-CD1 4.1Å; L190-I192 HydrophobicContact CG-CG1 3.96Å; I192-D194 WeakPolarHBondContact CG2-O 3.37Å; I192-V195 HydrophobicContact CG2-CG2 3.64Å
193	V	87.7	Confident	71.3	Confident	75 Å²	75	67.5 Å²	67.5	46%	0.455	35%	0.345	S	S	.	.	S	Bend	trans	-87.2	-33.8	176.3	170.2	0	0	0	0	111.5	H58 S137 F138	H58-V193 HydrophobicContact CB-CB 3.99Å; H58-V193 HydrophobicContact CB-CG2 3.56Å; H58-V193 PolarHBondContact O-N 3.43Å; S137-V193 WeakPolarHBondContact OG-CA 3.38Å; S137-V193 PolarHBondContact OG-O 3.32Å; F138-V193 WeakPolarHBondContact CD1-O 3.49Å
194	D	87	Confident	73.8	Confident	52 Å²	52	64.4 Å²	64.4	28%	0.278	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	155.4	-179.6	-165	14.1	0	0	0	111.1	I59 L60 I192 Q196	I59-D194 HydrophobicContact CG1-CB 4.33Å; L60-D194 PolarHBondContact N-O 2.89Å; I192-D194 WeakPolarHBondContact CG2-O 3.37Å; D194-Q196 PolarHBondContact OD2-NE2 3.25Å
195	V	89	Confident	76.1	Confident	0 Å²	0	61.3 Å²	61.3	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	117.9	177.6	-178.1	0	0	0	0	109.7	L60 Y62 F138 L155 F156 I192	L60-V195 HydrophobicContact CB-CG2 4.27Å; L60-V195 HydrophobicContact CD2-CG2 4.38Å; L60-V195 CarbonylContact O-C 3.57Å; L60-V195 VanDerWaalsContact O-CA 3.28Å; L60-V195 WeakPolarHBondContact O-CA 3.46Å; Y62-V195 HydrophobicContact CD1-CG1 3.73Å; Y62-V195 HydrophobicContact CE1-CG1 3.8Å; F138-V195 HydrophobicContact CZ-CG2 3.98Å; L155-V195 HydrophobicContact CB-CG1 4.46Å; L155-V195 HydrophobicContact CD1-CG2 4.22Å; L155-V195 HydrophobicContact CD2-CG2 4.49Å; F156-V195 HydrophobicContact CE1-CG1 4Å; F156-V195 HydrophobicContact CZ-CG1 4.49Å; I192-V195 HydrophobicContact CG2-CG2 3.64Å
196	Q	87.3	Confident	78.2	Confident	60 Å²	60	53.7 Å²	53.7	28%	0.28	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	148.1	-172.2	-62.8	177.7	-3.5	0	0	111.8	I59 L60 Q61 Y62 D194 L198	I59-Q196 HydrophobicContact CG2-CG 4.15Å; L60-Q196 PolarHBondContact O-N 2.66Å; Q61-Q196 CarbonylContact C-O 3.39Å; Q61-Q196 VanDerWaalsContact CA-O 3.22Å; Q61-Q196 WeakPolarHBondContact CA-O 3.42Å; Q61-Q196 HydrophobicContact CG-CB 4.29Å; Y62-Q196 WeakPolarHBondContact CD1-O 3.4Å; Y62-Q196 WeakPolarHBondContact CE1-O 3.3Å; Y62-Q196 PolarHBondContact N-O 3.38Å; D194-Q196 PolarHBondContact OD2-NE2 3.25Å; Q196-L198 PolarHBondContact O-N 3.15Å
197	L	85.2	Confident	79.9	Confident	16 Å²	16	47.3 Å²	47.3	8%	0.084	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70	124.5	171	179.1	68	0	0	0	109.3	Y62 P64 Q199 F205 N646	Y62-L197 HydrophobicContact CD2-CD1 4.5Å; Y62-L197 HydrophobicContact CE2-CD1 3.97Å; P64-L197 HydrophobicContact CG-CD1 3.58Å; L197-Q199 VanDerWaalsContact C-N 3.3Å; L197-Q199 HydrophobicContact CD2-CG 4.43Å; L197-Q199 PolarHBondContact O-N 3.26Å; L197-F205 HydrophobicContact CD1-CD2 4.33Å; L197-F205 HydrophobicContact CD1-CE2 4.09Å; L197-F205 HydrophobicContact CD1-CZ 4.42Å; L197-F205 HydrophobicContact CD2-CB 3.99Å; L197-F205 HydrophobicContact CD2-CD1 3.78Å; L197-F205 HydrophobicContact CD2-CD2 3.63Å; L197-F205 HydrophobicContact CD2-CE1 4.17Å; L197-F205 HydrophobicContact CD2-CE2 4.05Å; L197-F205 HydrophobicContact CD2-CG 3.48Å; L197-F205 VanDerWaalsContact CD2-CG 3.48Å; L197-F205 HydrophobicContact CD2-CZ 4.29Å; L197-N646 HydrophobicContact CB-CB 4.28Å; L197-N646 WeakPolarHBondContact CB-OD1 3.5Å; L197-N646 PolarHBondContact N-OD1 2.91Å
198	L	79.9	Confident	81.2	Confident	22 Å²	22	44.8 Å²	44.8	12%	0.115	22%	0.221	C	C	.	.			trans	-76.1	88.2	168.1	-166.7	131.4	0	0	0	108	L52 Q61 Y62 M63 W74 Q196	L52-L198 HydrophobicContact CB-CD1 4.01Å; L52-L198 HydrophobicContact CD2-CD1 3.87Å; Q61-L198 HydrophobicContact CB-CB 4.19Å; Q61-L198 HydrophobicContact CB-CD1 3.98Å; Y62-L198 WeakPolarHBondContact O-CB 3.22Å; Y62-L198 PolarHBondContact O-N 3.44Å; M63-L198 HydrophobicContact CB-CB 4.45Å; M63-L198 HydrophobicContact CB-CD2 4.38Å; W74-L198 HydrophobicContact CH2-CD2 3.8Å; W74-L198 HydrophobicContact CZ3-CD2 3.63Å; Q196-L198 PolarHBondContact O-N 3.15Å
199	Q	69.5	Low	82.2	Confident	73 Å²	73	41.8 Å²	41.8	34%	0.341	21%	0.207	S	C	.	.	P	Polyproline II helix	trans	-79.6	130.5	-173.7	-156.1	165.2	-7.8	0	0	110.5	L197 Q201 D614	L197-Q199 VanDerWaalsContact C-N 3.3Å; L197-Q199 HydrophobicContact CD2-CG 4.43Å; L197-Q199 PolarHBondContact O-N 3.26Å; Q199-Q201 PolarHBondContact O-N 3.17Å; Q199-D614 PolarHBondContact NE2-O 3.44Å
200	R	71.7	Confident	83	Confident	47 Å²	47	39.6 Å²	39.6	18%	0.177	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-67.9	131.1	174.6	-69	175.3	57.4	154.8	0.8	108.6	D72 W74 H202 M203	D72-R200 VanDerWaalsContact CG-NH2 3.27Å; D72-R200 IonicContact OD1-CZ 2.76Å; D72-R200 IonicContact OD1-NH1 3.3Å; D72-R200 PolarHBondContact OD1-NH1 2.7Å; D72-R200 IonicContact OD1-NH2 3.67Å; D72-R200 PolarHBondContact OD1-NH2 3.19Å; D72-R200 IonicContact OD2-CZ 3.94Å; D72-R200 VanDerWaalsContact OD2-CZ 3.27Å; D72-R200 IonicContact OD2-NH1 3.31Å; D72-R200 PolarHBondContact OD2-NH1 2.77Å; D72-R200 IonicContact OD2-NH2 3.33Å; D72-R200 PolarHBondContact OD2-NH2 3.26Å; W74-R200 HydrophobicContact CD2-CG 4.03Å; W74-R200 HydrophobicContact CH2-CG 4.37Å; W74-R200 HydrophobicContact CZ2-CG 3.88Å; W74-R200 VanDerWaalsContact NE1-NE 3.14Å; R200-H202 PolarHBondContact O-N 2.94Å; R200-M203 HydrophobicContact CB-CB 4.06Å; R200-M203 HydrophobicContact CB-CG 4.23Å; R200-M203 HydrophobicContact CB-SD 3.87Å; R200-M203 HydrophobicContact CG-SD 4.44Å; R200-M203 PolarHBondContact NE-SD 3.09Å; R200-M203 PolarHBondContact O-N 3.19Å
201	Q	71.1	Confident	83.4	Confident	132 Å²	132	40 Å²	40	62%	0.617	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.9	139.4	175.9	-70.6	-178.2	-20.7	0	0	109.9	Q199 M203	Q199-Q201 PolarHBondContact O-N 3.17Å; Q201-M203 PolarHBondContact O-N 3.28Å
202	H	81.9	Confident	83.5	Confident	110 Å²	110	41.3 Å²	41.3	51%	0.509	20%	0.2	S	C	.	.	T	Hydrogen-bonded Turn	trans	60.9	21.4	178.7	-51.9	-66	0	0	0	115.6	R200 I264 S265	R200-H202 PolarHBondContact O-N 2.94Å; H202-I264 CarbonylContact O-C 3.6Å; H202-I264 WeakPolarHBondContact O-CA 3.42Å; H202-I264 WeakPolarHBondContact O-CG2 3.28Å; H202-S265 VanDerWaalsContact CA-OG 3.27Å; H202-S265 WeakPolarHBondContact CA-OG 3.48Å; H202-S265 PolarHBondContact O-N 2.86Å; H202-S265 PolarHBondContact O-OG 3.36Å
203	M	84.6	Confident	83.5	Confident	31 Å²	31	41.9 Å²	41.9	15%	0.153	20%	0.202	C	C	.	.	B	Isolated β-bridge	trans	-120.7	141.6	175.6	-72.3	-174	51.7	0	0	113.2	R200 Q201 S262 P263 S265	R200-M203 HydrophobicContact CB-CB 4.06Å; R200-M203 HydrophobicContact CB-CG 4.23Å; R200-M203 HydrophobicContact CB-SD 3.87Å; R200-M203 HydrophobicContact CG-SD 4.44Å; R200-M203 PolarHBondContact NE-SD 3.09Å; R200-M203 PolarHBondContact O-N 3.19Å; Q201-M203 PolarHBondContact O-N 3.28Å; M203-S262 WeakPolarHBondContact CE-OG 3.29Å; M203-P263 WeakPolarHBondContact CA-O 3.47Å; M203-S265 PolarHBondContact N-OG 2.99Å; M203-S265 VanDerWaalsContact N-OG 3.11Å
204	L	90.6	Very high	83.7	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.016	18%	0.18	C	C	.	.			trans	-79.6	123.9	169.3	175.9	76.7	0	0	0	109	V206 P263 H598 F613 D614 I616	L204-V206 HydrophobicContact CD2-CG2 3.71Å; L204-V206 HydrophobicContact CG-CG2 3.87Å; L204-V206 PolarHBondContact O-N 2.93Å; L204-P263 HydrophobicContact CB-CB 4.06Å; L204-P263 HydrophobicContact CB-CG 3.94Å; L204-P263 HydrophobicContact CD2-CB 4.06Å; L204-P263 HydrophobicContact CD2-CG 4Å; L204-P263 HydrophobicContact CG-CG 4.26Å; L204-P263 PolarHBondContact N-O 3.32Å; L204-P263 WeakPolarHBondContact O-CG 3.44Å; L204-H598 HydrophobicContact CB-CB 4.38Å; L204-H598 HydrophobicContact CD2-CB 3.73Å; L204-F613 VanDerWaalsContact CD1-C 3.49Å; L204-F613 HydrophobicContact CD1-CB 3.65Å; L204-F613 WeakPolarHBondContact CD1-O 3.41Å; L204-D614 CarbonylContact C-O 3.59Å; L204-I616 HydrophobicContact CD1-CG1 4.11Å; L204-I616 HydrophobicContact CD2-CD1 3.76Å; L204-I616 HydrophobicContact CD2-CG1 4.04Å; L204-I616 HydrophobicContact CG-CG1 4.43Å
205	F	88.2	Confident	83.8	Confident	29 Å²	29	38.4 Å²	38.4	13%	0.127	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77	117.2	173.9	-179.7	-107.2	0	0	0	110.7	P64 L197 D207 D614 A615 I616 H617	P64-F205 HydrophobicContact CB-CE2 4.49Å; P64-F205 HydrophobicContact CG-CE2 3.76Å; P64-F205 HydrophobicContact CG-CZ 4.09Å; L197-F205 HydrophobicContact CD1-CD2 4.33Å; L197-F205 HydrophobicContact CD1-CE2 4.09Å; L197-F205 HydrophobicContact CD1-CZ 4.42Å; L197-F205 HydrophobicContact CD2-CB 3.99Å; L197-F205 HydrophobicContact CD2-CD1 3.78Å; L197-F205 HydrophobicContact CD2-CD2 3.63Å; L197-F205 HydrophobicContact CD2-CE1 4.17Å; L197-F205 HydrophobicContact CD2-CE2 4.05Å; L197-F205 HydrophobicContact CD2-CG 3.48Å; L197-F205 VanDerWaalsContact CD2-CG 3.48Å; L197-F205 HydrophobicContact CD2-CZ 4.29Å; F205-D207 HydrophobicContact CE1-CB 4.11Å; F205-D207 HydrophobicContact CZ-CB 3.83Å; F205-D614 PolarHBondContact N-O 3.44Å; F205-A615 HydrophobicContact CB-CB 3.97Å; F205-A615 HydrophobicContact CD1-CB 4.22Å; F205-A615 CarbonylContact O-C 3.47Å; F205-A615 VanDerWaalsContact O-CA 3.31Å; F205-A615 WeakPolarHBondContact O-CA 3.44Å; F205-I616 PolarHBondContact O-N 3.44Å; F205-H617 AromaticContact CD1-CE1 3.68Å; F205-H617 AromaticContact CE1-CE1 3.62Å
206	V	88.7	Confident	83.9	Confident	19 Å²	19	38.4 Å²	38.4	12%	0.115	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.8	116.1	171.7	-171.9	0	0	0	0	107.8	L204 A210 M211 P263 Y595 I616	L204-V206 HydrophobicContact CD2-CG2 3.71Å; L204-V206 HydrophobicContact CG-CG2 3.87Å; L204-V206 PolarHBondContact O-N 2.93Å; V206-A210 HydrophobicContact CG1-CB 3.71Å; V206-M211 HydrophobicContact CB-CE 4.01Å; V206-M211 HydrophobicContact CB-SD 4.29Å; V206-M211 HydrophobicContact CG1-CE 4.17Å; V206-M211 HydrophobicContact CG1-CG 3.87Å; V206-M211 HydrophobicContact CG1-SD 3.78Å; V206-P263 HydrophobicContact CG2-CG 3.86Å; V206-Y595 HydrophobicContact CG2-CD2 4.29Å; V206-I616 HydrophobicContact CG2-CB 4.29Å; V206-I616 HydrophobicContact CG2-CD1 4.5Å
207	D	82.8	Confident	83.6	Confident	18 Å²	18	36.4 Å²	36.4	10%	0.096	17%	0.17	C	C	.	.			trans	-77.9	168	-178.7	75.8	-1.5	0	0	0	112.4	F205 S209 A210 M211	F205-D207 HydrophobicContact CE1-CB 4.11Å; F205-D207 HydrophobicContact CZ-CB 3.83Å; D207-S209 PolarHBondContact O-N 3.24Å; D207-S209 PolarHBondContact OD1-N 3.36Å; D207-A210 PolarHBondContact O-N 2.87Å; D207-A210 WeakPolarHBondContact OD1-CB 3.47Å; D207-A210 PolarHBondContact OD1-N 2.98Å; D207-M211 VanDerWaalsContact O-CG 3.3Å; D207-M211 WeakPolarHBondContact O-CG 3.29Å; D207-M211 PolarHBondContact O-N 2.87Å
208	K	80.3	Confident	82.9	Confident	64 Å²	64	37.1 Å²	37.1	28%	0.278	17%	0.174	S	C	.	.	H	α-helix	trans	-60.2	-35.7	-177.6	-69.3	174.2	-174.2	150.8	0	112.5	D65 N159 M211 K212	D65-K208 PolarHBondContact O-NZ 3.38Å; D65-K208 VanDerWaalsContact O-NZ 3.14Å; N159-K208 HydrophobicContact CB-CD 4.22Å; K208-M211 PolarHBondContact O-N 3.3Å; K208-K212 WeakPolarHBondContact O-CB 3.47Å; K208-K212 PolarHBondContact O-N 2.91Å
209	S	80.9	Confident	81.7	Confident	17 Å²	17	40 Å²	40	12%	0.119	19%	0.186	C	C	.	.	H	α-helix	trans	-67.7	-44.4	179.1	-57.7	0	0	0	0	110.8	D207 K212 Y213	D207-S209 PolarHBondContact O-N 3.24Å; D207-S209 PolarHBondContact OD1-N 3.36Å; S209-K212 PolarHBondContact O-N 3.33Å; S209-Y213 WeakPolarHBondContact O-CB 3.37Å; S209-Y213 PolarHBondContact O-N 3.11Å
210	A	87	Confident	80.8	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.193	C	C	.	.	H	α-helix	trans	-61.9	-44.9	173.3	0	0	0	0	0	111.8	V206 D207 K212 Y213 L214 I618	V206-A210 HydrophobicContact CG1-CB 3.71Å; D207-A210 PolarHBondContact O-N 2.87Å; D207-A210 WeakPolarHBondContact OD1-CB 3.47Å; D207-A210 PolarHBondContact OD1-N 2.98Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 PolarHBondContact O-N 2.89Å; A210-Y213 PolarHBondContact O-N 3.43Å; A210-L214 WeakPolarHBondContact O-CB 3.39Å; A210-L214 WeakPolarHBondContact O-CG 3.31Å; A210-L214 PolarHBondContact O-N 3.29Å; A210-I618 HydrophobicContact CB-CB 4.11Å; A210-I618 HydrophobicContact CB-CD1 3.79Å; A210-I618 HydrophobicContact CB-CG1 3.7Å
211	M	87.9	Confident	79.3	Confident	8 Å²	8	41.5 Å²	41.5	4%	0.039	20%	0.195	C	C	.	.	H	α-helix	trans	-57.1	-40.6	175.5	-69	-68.8	-157.4	0	0	112.3	V206 D207 K208 Q215 I216 F219 M260 Y595	V206-M211 HydrophobicContact CB-CE 4.01Å; V206-M211 HydrophobicContact CB-SD 4.29Å; V206-M211 HydrophobicContact CG1-CE 4.17Å; V206-M211 HydrophobicContact CG1-CG 3.87Å; V206-M211 HydrophobicContact CG1-SD 3.78Å; D207-M211 VanDerWaalsContact O-CG 3.3Å; D207-M211 WeakPolarHBondContact O-CG 3.29Å; D207-M211 PolarHBondContact O-N 2.87Å; K208-M211 PolarHBondContact O-N 3.3Å; M211-Q215 PolarHBondContact O-N 3.4Å; M211-Q215 VanDerWaalsContact O-N 3.12Å; M211-I216 PolarHBondContact O-N 2.99Å; M211-I216 HydrophobicContact SD-CB 3.93Å; M211-I216 HydrophobicContact SD-CD1 3.43Å; M211-I216 WeakPolarHBondContact SD-CD1 3.37Å; M211-I216 HydrophobicContact SD-CG1 4.23Å; M211-I216 HydrophobicContact SD-CG2 3.78Å; M211-F219 HydrophobicContact CB-CE2 3.57Å; M211-F219 HydrophobicContact CB-CZ 3.62Å; M211-F219 HydrophobicContact CG-CZ 4.11Å; M211-M260 VanDerWaalsContact CE-O 3.27Å; M211-M260 WeakPolarHBondContact CE-O 3.49Å; M211-Y595 HydrophobicContact CE-CE2 4.22Å; M211-Y595 HydrophobicContact SD-CE2 4.19Å
212	K	85.7	Confident	77.8	Confident	88 Å²	88	39 Å²	39	38%	0.383	19%	0.189	S	C	.	.	H	α-helix	trans	-70.5	-46.6	177.6	-175.3	-172.4	173	-147.9	0	112	K208 S209 A210 L214 Q215 D623	K208-K212 WeakPolarHBondContact O-CB 3.47Å; K208-K212 PolarHBondContact O-N 2.91Å; S209-K212 PolarHBondContact O-N 3.33Å; A210-K212 VanDerWaalsContact C-N 3.27Å; A210-K212 PolarHBondContact O-N 2.89Å; K212-L214 VanDerWaalsContact C-N 3.26Å; K212-L214 PolarHBondContact O-N 2.64Å; K212-Q215 WeakPolarHBondContact O-CA 3.4Å; K212-Q215 PolarHBondContact O-N 3.46Å; K212-D623 IonicContact NZ-OD1 2.93Å; K212-D623 PolarHBondContact NZ-OD1 2.99Å
213	Y	87.3	Confident	75.5	Confident	15 Å²	15	39.8 Å²	39.8	6%	0.059	19%	0.188	C	C	.	.	H	α-helix	trans	-58	-40.9	177.7	174.7	-89	0	0	0	111.7	S209 A210 Q215 K588 I618 T620 D656	S209-Y213 WeakPolarHBondContact O-CB 3.37Å; S209-Y213 PolarHBondContact O-N 3.11Å; A210-Y213 PolarHBondContact O-N 3.43Å; Y213-Q215 VanDerWaalsContact C-N 3.27Å; Y213-Q215 PolarHBondContact O-N 2.98Å; Y213-K588 HydrophobicContact CD1-CG 3.94Å; Y213-K588 HydrophobicContact CE1-CB 4.43Å; Y213-K588 HydrophobicContact CE1-CD 4.24Å; Y213-K588 HydrophobicContact CE1-CG 3.29Å; Y213-K588 WeakPolarHBondContact O-CE 3.39Å; Y213-K588 PolarHBondContact O-NZ 2.98Å; Y213-I618 HydrophobicContact CD1-CB 4.49Å; Y213-I618 HydrophobicContact CD1-CD1 3.38Å; Y213-I618 HydrophobicContact CD1-CG1 4.42Å; Y213-I618 HydrophobicContact CD1-CG2 3.59Å; Y213-I618 HydrophobicContact CD2-CG2 3.93Å; Y213-I618 HydrophobicContact CE1-CD1 4.01Å; Y213-I618 HydrophobicContact CE1-CG2 3.86Å; Y213-I618 HydrophobicContact CE2-CG2 4.22Å; Y213-I618 HydrophobicContact CG-CD1 4.1Å; Y213-I618 HydrophobicContact CG-CG2 3.6Å; Y213-T620 HydrophobicContact CD2-CG2 4.1Å; Y213-D656 HydrophobicContact CE2-CB 4.37Å; Y213-D656 PolarHBondContact OH-OD2 2.79Å
214	L	90.4	Very high	73	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	20%	0.2	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.4	-7	176.7	-63.2	-178.1	0	0	0	114.1	A210 K212 I216 Y548 K588 A591 L592 I618	A210-L214 WeakPolarHBondContact O-CB 3.39Å; A210-L214 WeakPolarHBondContact O-CG 3.31Å; A210-L214 PolarHBondContact O-N 3.29Å; K212-L214 VanDerWaalsContact C-N 3.26Å; K212-L214 PolarHBondContact O-N 2.64Å; L214-I216 VanDerWaalsContact C-N 3.32Å; L214-I216 HydrophobicContact CB-CD1 3.78Å; L214-I216 HydrophobicContact CB-CG1 3.7Å; L214-I216 HydrophobicContact CD1-CD1 3.86Å; L214-I216 HydrophobicContact CG-CD1 4.46Å; L214-I216 PolarHBondContact O-N 2.96Å; L214-Y548 PolarHBondContact O-OH 3.05Å; L214-K588 HydrophobicContact CD2-CB 4.35Å; L214-K588 HydrophobicContact CD2-CG 4.25Å; L214-A591 HydrophobicContact CD1-CB 3.98Å; L214-A591 HydrophobicContact CD2-CB 3.5Å; L214-A591 VanDerWaalsContact CD2-CB 3.5Å; L214-A591 HydrophobicContact CG-CB 4.36Å; L214-L592 HydrophobicContact CB-CD1 3.99Å; L214-I618 HydrophobicContact CD1-CD1 3.91Å; L214-I618 HydrophobicContact CD2-CD1 3.79Å; L214-I618 HydrophobicContact CG-CD1 3.57Å
215	Q	90.6	Very high	70.4	Confident	54 Å²	54	47.8 Å²	47.8	25%	0.252	23%	0.231	S	C	.	.	T	Hydrogen-bonded Turn	trans	58.8	42.2	-179.4	-56.6	170.1	-103	0	0	111.7	M211 K212 Y213 T239 L240 Y548 I550	M211-Q215 PolarHBondContact O-N 3.4Å; M211-Q215 VanDerWaalsContact O-N 3.12Å; K212-Q215 WeakPolarHBondContact O-CA 3.4Å; K212-Q215 PolarHBondContact O-N 3.46Å; Y213-Q215 VanDerWaalsContact C-N 3.27Å; Y213-Q215 PolarHBondContact O-N 2.98Å; Q215-T239 CarbonylContact O-C 3.57Å; Q215-T239 WeakPolarHBondContact O-CA 3.43Å; Q215-T239 WeakPolarHBondContact O-CB 3.38Å; Q215-L240 PolarHBondContact O-N 3.39Å; Q215-Y548 PolarHBondContact OE1-OH 3.04Å; Q215-I550 HydrophobicContact CB-CD1 3.51Å; Q215-I550 HydrophobicContact CG-CD1 4.48Å
216	I	90	Very high	67.8	Low	0 Å²	0	50.8 Å²	50.8	0%	0	26%	0.255	C	S	.	.			trans	-71.8	-58.1	-173.4	-69.7	173.9	0	0	0	111.2	M211 L214 L240 F241 M260 L592 Y595	M211-I216 PolarHBondContact O-N 2.99Å; M211-I216 HydrophobicContact SD-CB 3.93Å; M211-I216 HydrophobicContact SD-CD1 3.43Å; M211-I216 WeakPolarHBondContact SD-CD1 3.37Å; M211-I216 HydrophobicContact SD-CG1 4.23Å; M211-I216 HydrophobicContact SD-CG2 3.78Å; L214-I216 VanDerWaalsContact C-N 3.32Å; L214-I216 HydrophobicContact CB-CD1 3.78Å; L214-I216 HydrophobicContact CB-CG1 3.7Å; L214-I216 HydrophobicContact CD1-CD1 3.86Å; L214-I216 HydrophobicContact CG-CD1 4.46Å; L214-I216 PolarHBondContact O-N 2.96Å; I216-L240 HydrophobicContact CG1-CD2 4.47Å; I216-L240 PolarHBondContact O-N 2.95Å; I216-F241 WeakPolarHBondContact O-CB 3.43Å; I216-F241 PolarHBondContact O-N 3.31Å; I216-M260 HydrophobicContact CG2-CE 3.68Å; I216-L592 HydrophobicContact CG1-CD1 4.17Å; I216-Y595 HydrophobicContact CD1-CD1 3.82Å; I216-Y595 HydrophobicContact CD1-CD2 3.77Å; I216-Y595 HydrophobicContact CD1-CE1 3.76Å; I216-Y595 HydrophobicContact CD1-CE2 3.7Å; I216-Y595 HydrophobicContact CD1-CG 3.82Å; I216-Y595 HydrophobicContact CG1-CD1 4.39Å; I216-Y595 HydrophobicContact CG1-CE1 4.13Å; I216-Y595 HydrophobicContact CG2-CE1 3.98Å; I216-Y595 HydrophobicContact CG2-CE2 4.49Å; I216-Y595 VanDerWaalsContact CG2-OH 3.25Å; I216-Y595 WeakPolarHBondContact CG2-OH 3.38Å
217	I	81.9	Confident	65.2	Low	18 Å²	18	57.9 Å²	57.9	9%	0.092	28%	0.284	C	S	.	.	S	Bend	trans	-132.5	142.3	177	-66.5	154.2	0	0	0	108.3	F219 F241 R257 M260	I217-F219 PolarHBondContact O-N 3.49Å; I217-F241 HydrophobicContact CG1-CB 4.03Å; I217-F241 HydrophobicContact CG1-CD2 4.37Å; I217-F241 HydrophobicContact CG1-CG 4.43Å; I217-R257 HydrophobicContact CD1-CG 4.3Å; I217-M260 HydrophobicContact CD1-CB 3.89Å
218	D	69.1	Low	62.8	Low	31 Å²	31	60.4 Å²	60.4	17%	0.166	32%	0.315	C	S	.	.			trans	-77.2	108	170.7	-171.8	0.2	0	0	0	109.8	H220 E221 T239	D218-H220 PolarHBondContact O-N 3.46Å; D218-H220 WeakPolarHBondContact OD1-CB 3.4Å; D218-H220 IonicContact OD1-CD2 3.06Å; D218-H220 IonicContact OD1-CG 2.74Å; D218-H220 PolarHBondContact OD1-N 3.49Å; D218-E221 HydrophobicContact CB-CG 4.18Å; D218-E221 PolarHBondContact O-N 3.46Å; D218-T239 HydrophobicContact CB-CG2 4.06Å
219	F	54.9	Low	60.7	Low	83 Å²	83	62.3 Å²	62.3	36%	0.364	33%	0.327	S	S	.	.	T	Hydrogen-bonded Turn	trans	-71	-14.2	176.9	-65.1	-76.8	0	0	0	112.9	M211 I217 T222	M211-F219 HydrophobicContact CB-CE2 3.57Å; M211-F219 HydrophobicContact CB-CZ 3.62Å; M211-F219 HydrophobicContact CG-CZ 4.11Å; I217-F219 PolarHBondContact O-N 3.49Å; F219-T222 PolarHBondContact O-OG1 3.26Å
220	H	50.6	Low	58.5	Low	105 Å²	105	69.3 Å²	69.3	49%	0.486	36%	0.362	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.2	-25.2	175	-74.7	-79.5	0	0	0	113.3	D218 T222 Y223 K224	D218-H220 PolarHBondContact O-N 3.46Å; D218-H220 WeakPolarHBondContact OD1-CB 3.4Å; D218-H220 IonicContact OD1-CD2 3.06Å; D218-H220 IonicContact OD1-CG 2.74Å; D218-H220 PolarHBondContact OD1-N 3.49Å; H220-T222 PolarHBondContact O-N 3.06Å; H220-Y223 PolarHBondContact O-N 2.9Å; H220-K224 PolarHBondContact O-N 3.24Å
221	E	41.5	Very low	56	Low	47 Å²	47	70.9 Å²	70.9	22%	0.22	37%	0.372	C	S	.	.	H	α-helix	trans	-61.4	-41.2	179.1	-79.1	-173.7	172.1	0	0	112.2	D218 Y223 K224 V225	D218-E221 HydrophobicContact CB-CG 4.18Å; D218-E221 PolarHBondContact O-N 3.46Å; E221-Y223 PolarHBondContact O-N 3.45Å; E221-Y223 VanDerWaalsContact O-N 3.15Å; E221-K224 PolarHBondContact O-N 3.34Å; E221-V225 WeakPolarHBondContact O-CG2 2.98Å; E221-V225 PolarHBondContact O-N 3.15Å
222	T	39.1	Very low	53.6	Low	79 Å²	79	73.8 Å²	73.8	49%	0.485	39%	0.394	S	S	.	.	H	α-helix	trans	-58.7	-31.2	-179.6	55	0	0	0	0	113.4	F219 H220 S226	F219-T222 PolarHBondContact O-OG1 3.26Å; H220-T222 PolarHBondContact O-N 3.06Å; T222-S226 PolarHBondContact O-OG 3.26Å
223	Y	34	Very low	51.6	Low	127 Å²	127	78 Å²	78	50%	0.498	42%	0.415	S	S	.	.	H	α-helix	trans	-85	-23.9	177.2	-86.7	-81.6	0	0	0	114.2	H220 E221 S226	H220-Y223 PolarHBondContact O-N 2.9Å; E221-Y223 PolarHBondContact O-N 3.45Å; E221-Y223 VanDerWaalsContact O-N 3.15Å; Y223-S226 WeakPolarHBondContact CA-OG 3.03Å; Y223-S226 PolarHBondContact O-OG 3.2Å; Y223-S226 VanDerWaalsContact O-OG 3.14Å
224	K	31.1	Very low	49.5	Very low	91 Å²	91	82 Å²	82	40%	0.396	45%	0.451	S	S	.	.	H	α-helix	trans	-86.2	-38.5	-179.1	-74.6	-173	179.5	178	0	112.1	H220 E221 S226 K227 G228 I229 P231	H220-K224 PolarHBondContact O-N 3.24Å; E221-K224 PolarHBondContact O-N 3.34Å; K224-S226 VanDerWaalsContact C-N 3.31Å; K224-S226 PolarHBondContact O-N 3.16Å; K224-K227 CarbonylContact O-C 3.55Å; K224-K227 PolarHBondContact O-N 2.75Å; K224-K227 VanDerWaalsContact O-N 3.09Å; K224-G228 PolarHBondContact O-N 3.24Å; K224-I229 PolarHBondContact O-N 3.35Å; K224-P231 HydrophobicContact CD-CB 4.13Å; K224-P231 HydrophobicContact CD-CG 4.15Å
225	V	36.1	Very low	47.3	Very low	110 Å²	110	88.6 Å²	88.6	67%	0.667	49%	0.486	S	S	*	.	H	α-helix	trans	-62.5	-39.8	175.1	177.5	0	0	0	0	111	E221 K227 G228	E221-V225 WeakPolarHBondContact O-CG2 2.98Å; E221-V225 PolarHBondContact O-N 3.15Å; V225-K227 PolarHBondContact O-N 3.11Å; V225-G228 PolarHBondContact O-N 2.7Å; V225-G228 VanDerWaalsContact O-N 3.17Å
226	S	34.5	Very low	45.5	Very low	92 Å²	92	87.6 Å²	87.6	64%	0.643	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-14.7	176.1	44.6	0	0	0	0	114.3	T222 Y223 K224	T222-S226 PolarHBondContact O-OG 3.26Å; Y223-S226 WeakPolarHBondContact CA-OG 3.03Å; Y223-S226 PolarHBondContact O-OG 3.2Å; Y223-S226 VanDerWaalsContact O-OG 3.14Å; K224-S226 VanDerWaalsContact C-N 3.31Å; K224-S226 PolarHBondContact O-N 3.16Å
227	K	32.8	Very low	44.2	Very low	168 Å²	168	90.4 Å²	90.4	73%	0.73	50%	0.501	S	S	*	.	T	Hydrogen-bonded Turn	trans	-107.3	7.9	174.5	-75.4	-165.3	173.4	-170	0	114.3	K224 V225 I229	K224-K227 CarbonylContact O-C 3.55Å; K224-K227 PolarHBondContact O-N 2.75Å; K224-K227 VanDerWaalsContact O-N 3.09Å; V225-K227 PolarHBondContact O-N 3.11Å; K227-I229 PolarHBondContact O-N 3.14Å
228	G	33.2	Very low	44	Very low	71 Å²	71	92 Å²	92	73%	0.732	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.3	13.1	179	0	0	0	0	0	114.8	K224 V225	K224-G228 PolarHBondContact O-N 3.24Å; V225-G228 PolarHBondContact O-N 2.7Å; V225-G228 VanDerWaalsContact O-N 3.17Å
229	I	36.3	Very low	45	Very low	105 Å²	105	90.8 Å²	90.8	54%	0.538	51%	0.507	S	S	.	.			trans	-97.2	98.5	177.5	-57.2	171.9	0	0	0	107.3	K224 K227 P231	K224-I229 PolarHBondContact O-N 3.35Å; K227-I229 PolarHBondContact O-N 3.14Å; I229-P231 VanDerWaalsContact O-CD 3.24Å; I229-P231 WeakPolarHBondContact O-CD 3.24Å
230	L	34.8	Very low	46.8	Very low	164 Å²	164	86.8 Å²	86.8	86%	0.859	49%	0.489	S	S	*	.			trans	-66.3	115.3	167.5	-79.8	152.6	0	0	0	108.2	S232	L230-S232 PolarHBondContact O-N 3.42Å
231	P	35.1	Very low	48.8	Very low	32 Å²	32	82.3 Å²	82.3	21%	0.208	47%	0.469	C	S	.	.			trans	-65.5	134.1	170.7	25.6	-28.2	0	0	0	109.2	K224 I229 E233 I236	K224-P231 HydrophobicContact CD-CB 4.13Å; K224-P231 HydrophobicContact CD-CG 4.15Å; I229-P231 VanDerWaalsContact O-CD 3.24Å; I229-P231 WeakPolarHBondContact O-CD 3.24Å; P231-E233 PolarHBondContact O-N 3.46Å; P231-I236 HydrophobicContact CB-CG1 4.37Å; P231-I236 HydrophobicContact CG-CD1 4.21Å; P231-I236 HydrophobicContact CG-CG1 4.34Å
232	S	36.3	Very low	51.1	Low	70 Å²	70	84.5 Å²	84.5	49%	0.49	48%	0.477	S	S	.	.			trans	-51.9	132.6	169.9	55.9	0	0	0	0	110.4	L230 A234 N235	L230-S232 PolarHBondContact O-N 3.42Å; S232-A234 PolarHBondContact O-N 3.14Å; S232-N235 PolarHBondContact O-N 3.5Å
233	E	44.8	Very low	53.7	Low	177 Å²	177	81.5 Å²	81.5	83%	0.827	46%	0.458	S	S	*	.	G	3₁₀ helix	trans	-49	-33.4	-177.1	-73.3	-178.3	152.2	0	0	113.7	P231 N235 I236	P231-E233 PolarHBondContact O-N 3.46Å; E233-N235 PolarHBondContact O-N 2.92Å; E233-I236 PolarHBondContact O-N 3.33Å
234	A	42.5	Very low	56.6	Low	99 Å²	99	75.4 Å²	75.4	82%	0.818	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-63.6	-20.9	-179.5	0	0	0	0	0	115.2	S232	S232-A234 PolarHBondContact O-N 3.14Å
235	N	43.6	Very low	59.6	Low	137 Å²	137	73.5 Å²	73.5	73%	0.733	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-101	4.4	-175.4	-92	-27.8	0	0	0	114.2	S232 E233	S232-N235 PolarHBondContact O-N 3.5Å; E233-N235 PolarHBondContact O-N 2.92Å
236	I	53.1	Low	62.4	Low	34 Å²	34	70.8 Å²	70.8	17%	0.174	41%	0.408	C	S	.	.			trans	-97.6	114.1	-172.7	-46.5	171.1	0	0	0	108.7	P231 E233	P231-I236 HydrophobicContact CB-CG1 4.37Å; P231-I236 HydrophobicContact CG-CD1 4.21Å; P231-I236 HydrophobicContact CG-CG1 4.34Å; E233-I236 PolarHBondContact O-N 3.33Å
237	S	63.7	Low	65.4	Low	58 Å²	58	67.2 Å²	67.2	41%	0.406	38%	0.383	S	S	.	.			trans	-54.2	140.8	174.4	51.9	0	0	0	0	110.6	T239	S237-T239 PolarHBondContact O-N 3.33Å
238	P	76.9	Confident	68.5	Low	51 Å²	51	62 Å²	62	33%	0.331	36%	0.363	S	S	.	.			trans	-66.6	131.8	175.7	28.9	-34.5	0	0	0	109	I550	P238-I550 HydrophobicContact CB-CG2 3.86Å; P238-I550 HydrophobicContact CG-CG2 3.68Å
239	T	89.5	Confident	71.5	Confident	6 Å²	6	58.9 Å²	58.9	4%	0.037	33%	0.329	C	S	.	.			trans	-125.4	155.5	-179.8	60.9	0	0	0	0	110.9	Q215 D218 S237 F241 K242 I243	Q215-T239 CarbonylContact O-C 3.57Å; Q215-T239 WeakPolarHBondContact O-CA 3.43Å; Q215-T239 WeakPolarHBondContact O-CB 3.38Å; D218-T239 HydrophobicContact CB-CG2 4.06Å; S237-T239 PolarHBondContact O-N 3.33Å; T239-F241 PolarHBondContact O-N 2.92Å; T239-K242 PolarHBondContact O-N 2.88Å; T239-K242 PolarHBondContact OG1-N 2.95Å; T239-I243 PolarHBondContact O-N 3.45Å
240	L	93.1	Very high	74.1	Confident	0 Å²	0	57.4 Å²	57.4	0%	0	33%	0.326	C	S	.	.	H	α-helix	trans	-59.3	-36.6	174	-177.6	63.2	0	0	0	111.2	Q215 I216 K242 I243 L244 M260 W530 P549 L592 Y595 L596	Q215-L240 PolarHBondContact O-N 3.39Å; I216-L240 HydrophobicContact CG1-CD2 4.47Å; I216-L240 PolarHBondContact O-N 2.95Å; L240-K242 VanDerWaalsContact C-N 3.27Å; L240-K242 PolarHBondContact O-N 2.9Å; L240-I243 WeakPolarHBondContact O-CB 3.42Å; L240-I243 PolarHBondContact O-N 3.02Å; L240-L244 HydrophobicContact CD1-CD1 4.22Å; L240-L244 HydrophobicContact CD1-CG 4.26Å; L240-L244 HydrophobicContact CD2-CD1 4.17Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.3Å; L240-L244 PolarHBondContact O-N 2.83Å; L240-M260 HydrophobicContact CB-CE 4.13Å; L240-M260 HydrophobicContact CD2-CE 3.93Å; L240-M260 HydrophobicContact CG-CE 3.89Å; L240-W530 HydrophobicContact CD1-CH2 4.06Å; L240-P549 HydrophobicContact CD1-CG 4.25Å; L240-L592 HydrophobicContact CD1-CD2 4.38Å; L240-L592 HydrophobicContact CD2-CD1 3.84Å; L240-L592 HydrophobicContact CD2-CG 4.3Å; L240-Y595 HydrophobicContact CD2-CD1 4Å; L240-Y595 HydrophobicContact CD2-CE1 3.7Å; L240-L596 HydrophobicContact CD1-CD2 4.2Å; L240-L596 HydrophobicContact CD2-CD2 3.72Å; L240-L596 HydrophobicContact CD2-CG 4.17Å; L240-L596 HydrophobicContact CG-CD2 4.42Å
241	F	93	Very high	76.7	Confident	11 Å²	11	50.2 Å²	50.2	5%	0.048	29%	0.287	C	S	.	.	H	α-helix	trans	-55.8	-42.2	176.6	179.7	-97.6	0	0	0	111.7	I216 I217 T239 I243 L244 N245 T253 L256 R257 M260	I216-F241 WeakPolarHBondContact O-CB 3.43Å; I216-F241 PolarHBondContact O-N 3.31Å; I217-F241 HydrophobicContact CG1-CB 4.03Å; I217-F241 HydrophobicContact CG1-CD2 4.37Å; I217-F241 HydrophobicContact CG1-CG 4.43Å; T239-F241 PolarHBondContact O-N 2.92Å; F241-I243 VanDerWaalsContact C-N 3.32Å; F241-I243 PolarHBondContact O-N 3.22Å; F241-L244 PolarHBondContact O-N 2.82Å; F241-N245 HydrophobicContact CD1-CB 4.38Å; F241-N245 HydrophobicContact CE1-CB 4.09Å; F241-N245 HydrophobicContact CZ-CB 4.15Å; F241-N245 WeakPolarHBondContact O-CB 3.39Å; F241-N245 PolarHBondContact O-N 3.3Å; F241-T253 HydrophobicContact CZ-CG2 3.84Å; F241-L256 HydrophobicContact CD2-CD2 4.5Å; F241-L256 HydrophobicContact CE2-CD2 4.11Å; F241-L256 HydrophobicContact CE2-CG 4.13Å; F241-R257 HydrophobicContact CE2-CB 3.91Å; F241-R257 HydrophobicContact CE2-CG 4.5Å; F241-M260 HydrophobicContact CB-CE 4.11Å; F241-M260 HydrophobicContact CB-SD 4.17Å; F241-M260 HydrophobicContact CD2-SD 3.68Å; F241-M260 HydrophobicContact CG-SD 4.41Å
242	K	90.5	Very high	79.5	Confident	92 Å²	92	48.7 Å²	48.7	40%	0.4	28%	0.278	S	S	.	.	H	α-helix	trans	-65.5	-34.5	176.7	-73.8	-178.3	173.3	-169.6	0	113.3	T239 L240	T239-K242 PolarHBondContact O-N 2.88Å; T239-K242 PolarHBondContact OG1-N 2.95Å; L240-K242 VanDerWaalsContact C-N 3.27Å; L240-K242 PolarHBondContact O-N 2.9Å
243	I	91.8	Very high	82.2	Confident	16 Å²	16	46.7 Å²	46.7	8%	0.082	26%	0.263	C	S	.	.	H	α-helix	trans	-69.9	-39.1	177.4	-62.1	174.3	0	0	0	110.5	T239 L240 F241 H246 M528 W530 P549 I550 T553	T239-I243 PolarHBondContact O-N 3.45Å; L240-I243 WeakPolarHBondContact O-CB 3.42Å; L240-I243 PolarHBondContact O-N 3.02Å; F241-I243 VanDerWaalsContact C-N 3.32Å; F241-I243 PolarHBondContact O-N 3.22Å; I243-H246 PolarHBondContact O-NE2 3.47Å; I243-M528 HydrophobicContact CG2-CE 3.95Å; I243-M528 HydrophobicContact CG2-CG 4.19Å; I243-M528 HydrophobicContact CG2-SD 4.48Å; I243-W530 HydrophobicContact CG2-CH2 3.88Å; I243-W530 HydrophobicContact CG2-CZ2 3.84Å; I243-P549 HydrophobicContact CD1-CB 4.2Å; I243-I550 HydrophobicContact CD1-CG1 3.81Å; I243-T553 HydrophobicContact CD1-CG2 4.02Å; I243-T553 HydrophobicContact CG1-CG2 4.14Å
244	L	94.9	Very high	84.3	Confident	0 Å²	0	40.7 Å²	40.7	0%	0	24%	0.243	C	C	.	.	H	α-helix	trans	-84.1	-27	-177.4	-73.6	176.4	0	0	0	113.8	L240 F241 H246 L256 M260 F521 A524 W530 L596 I599	L240-L244 HydrophobicContact CD1-CD1 4.22Å; L240-L244 HydrophobicContact CD1-CG 4.26Å; L240-L244 HydrophobicContact CD2-CD1 4.17Å; L240-L244 HydrophobicContact CG-CD1 3.86Å; L240-L244 HydrophobicContact CG-CG 4.3Å; L240-L244 PolarHBondContact O-N 2.83Å; F241-L244 PolarHBondContact O-N 2.82Å; L244-H246 VanDerWaalsContact C-N 3.34Å; L244-H246 PolarHBondContact O-N 3.14Å; L244-L256 HydrophobicContact CB-CD2 4.49Å; L244-M260 HydrophobicContact CB-SD 4.43Å; L244-M260 HydrophobicContact CD1-CE 3.89Å; L244-M260 HydrophobicContact CD1-SD 3.85Å; L244-F521 HydrophobicContact CD1-CE1 4.15Å; L244-F521 HydrophobicContact CD2-CD1 4.03Å; L244-F521 HydrophobicContact CD2-CE1 4.21Å; L244-A524 HydrophobicContact CD2-CB 3.91Å; L244-W530 HydrophobicContact CD2-CH2 4.04Å; L244-W530 HydrophobicContact CD2-CZ3 3.62Å; L244-L596 HydrophobicContact CD1-CD2 3.95Å; L244-I599 HydrophobicContact CD1-CD1 3.77Å
245	N	94.8	Very high	86.5	Confident	50 Å²	50	36.6 Å²	36.6	27%	0.267	21%	0.207	S	C	.	.			trans	-77.6	81.5	-171.8	-173.7	24.2	0	0	0	112.6	F241 C247 L256	F241-N245 HydrophobicContact CD1-CB 4.38Å; F241-N245 HydrophobicContact CE1-CB 4.09Å; F241-N245 HydrophobicContact CZ-CB 4.15Å; F241-N245 WeakPolarHBondContact O-CB 3.39Å; F241-N245 PolarHBondContact O-N 3.3Å; N245-C247 WeakPolarHBondContact OD1-CB 3.27Å; N245-C247 PolarHBondContact OD1-N 3.27Å; N245-L256 HydrophobicContact CB-CD2 3.81Å
246	H	96.2	Very high	88.9	Confident	53 Å²	53	30 Å²	30	25%	0.245	17%	0.172	C	C	.	.			trans	-101.8	17.2	166.2	-67.7	-90.8	0	0	0	112.6	I243 L244 R293 A520 M523	I243-H246 PolarHBondContact O-NE2 3.47Å; L244-H246 VanDerWaalsContact C-N 3.34Å; L244-H246 PolarHBondContact O-N 3.14Å; H246-R293 PolarHBondContact O-NH1 3.42Å; H246-R293 PolarHBondContact O-NH2 3.32Å; H246-A520 HydrophobicContact CB-CB 4.01Å; H246-M523 HydrophobicContact CB-CB 3.83Å; H246-M523 HydrophobicContact CB-CG 4.47Å
247	C	97.3	Very high	90.7	Very high	17 Å²	17	32.7 Å²	32.7	12%	0.115	18%	0.18	C	C	.	.			trans	-63.1	142.6	177.4	-64.3	0	0	0	0	110.4	N245 D516	N245-C247 WeakPolarHBondContact OD1-CB 3.27Å; N245-C247 PolarHBondContact OD1-N 3.27Å; C247-D516 WeakPolarHBondContact CA-OD1 3.37Å; C247-D516 WeakPolarHBondContact CB-OD2 3.2Å
248	L	96.7	Very high	91.7	Very high	60 Å²	60	33.1 Å²	33.1	31%	0.314	17%	0.174	S	C	.	.			trans	-100.1	-16.6	179.5	-68	172.9	0	0	0	112.6	R293 L296 K297 D516	L248-R293 HydrophobicContact CD1-CB 3.8Å; L248-R293 HydrophobicContact CD1-CG 4.02Å; L248-R293 VanDerWaalsContact CD1-O 3.26Å; L248-R293 WeakPolarHBondContact CD1-O 3.4Å; L248-L296 HydrophobicContact CB-CB 4.2Å; L248-L296 HydrophobicContact CD1-CB 4.14Å; L248-K297 HydrophobicContact CD1-CG 4.13Å; L248-D516 PolarHBondContact N-OD1 3.04Å; L248-D516 PolarHBondContact N-OD2 3.14Å
249	T	95.8	Very high	92.4	Very high	4 Å²	4	31.2 Å²	31.2	3%	0.025	16%	0.161	C	C	.	.	S	Bend	trans	-111.7	151.1	-176.1	71.6	0	0	0	0	111.2	Q251 G252 T253 L296 V299 D516	T249-Q251 VanDerWaalsContact C-N 3.28Å; T249-Q251 PolarHBondContact O-N 3.47Å; T249-Q251 WeakPolarHBondContact OG1-CG 3.46Å; T249-G252 PolarHBondContact O-N 3.09Å; T249-G252 WeakPolarHBondContact OG1-CA 3.49Å; T249-G252 PolarHBondContact OG1-N 3.36Å; T249-T253 PolarHBondContact O-N 3.05Å; T249-T253 PolarHBondContact O-OG1 3.05Å; T249-L296 HydrophobicContact CG2-CB 4.26Å; T249-L296 HydrophobicContact CG2-CD2 3.96Å; T249-L296 WeakPolarHBondContact CG2-O 3.42Å; T249-V299 HydrophobicContact CG2-CB 3.72Å; T249-V299 HydrophobicContact CG2-CG1 3.9Å; T249-V299 HydrophobicContact CG2-CG2 4.47Å; T249-D516 WeakPolarHBondContact CB-OD2 3.38Å; T249-D516 PolarHBondContact N-OD2 3.45Å; T249-D516 PolarHBondContact OG1-OD2 3.36Å
250	T	91.7	Very high	92.4	Very high	75 Å²	75	30.9 Å²	30.9	46%	0.46	16%	0.159	S	C	.	.	H	α-helix	trans	-64.3	-37.3	176	53.5	0	0	0	0	111.7	A254 N301	T250-A254 WeakPolarHBondContact O-CB 3.45Å; T250-A254 PolarHBondContact O-N 3.35Å; T250-N301 WeakPolarHBondContact OG1-CB 3.41Å; T250-N301 PolarHBondContact OG1-ND2 3.45Å
251	Q	89.4	Confident	92.1	Very high	12 Å²	12	32.8 Å²	32.8	6%	0.056	18%	0.178	C	C	.	.	H	α-helix	trans	-69.1	-41.1	176.7	59.6	-159.9	39.4	0	0	112.2	T249 A254 E255 V299 T302 S509 A513	T249-Q251 VanDerWaalsContact C-N 3.28Å; T249-Q251 PolarHBondContact O-N 3.47Å; T249-Q251 WeakPolarHBondContact OG1-CG 3.46Å; Q251-A254 PolarHBondContact O-N 3.15Å; Q251-E255 WeakPolarHBondContact O-CB 3.33Å; Q251-E255 PolarHBondContact O-N 3.44Å; Q251-V299 VanDerWaalsContact NE2-CG1 3.33Å; Q251-T302 PolarHBondContact OE1-OG1 3.02Å; Q251-S509 PolarHBondContact NE2-O 3.13Å; Q251-S509 VanDerWaalsContact NE2-O 3.13Å; Q251-S509 PolarHBondContact NE2-OG 3.04Å; Q251-S509 PolarHBondContact OE1-OG 2.94Å; Q251-A513 HydrophobicContact CB-CB 4.08Å; Q251-A513 HydrophobicContact CG-CB 3.97Å
252	G	94.2	Very high	91.6	Very high	0 Å²	0	34 Å²	34	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-43	172.5	0	0	0	0	0	112.1	T249 A254 E255 L256 C517	T249-G252 PolarHBondContact O-N 3.09Å; T249-G252 WeakPolarHBondContact OG1-CA 3.49Å; T249-G252 PolarHBondContact OG1-N 3.36Å; G252-A254 VanDerWaalsContact C-N 3.29Å; G252-A254 PolarHBondContact O-N 3.5Å; G252-E255 PolarHBondContact O-N 3.45Å; G252-L256 WeakPolarHBondContact O-CB 3.28Å; G252-L256 PolarHBondContact O-N 2.98Å; G252-C517 PolarHBondContact O-SG 3.17Å
253	T	93.5	Very high	91.6	Very high	29 Å²	29	29.7 Å²	29.7	18%	0.178	17%	0.17	C	C	.	.	H	α-helix	trans	-61	-38.9	174.9	-56.9	0	0	0	0	112.2	F241 T249 R257	F241-T253 HydrophobicContact CZ-CG2 3.84Å; T249-T253 PolarHBondContact O-N 3.05Å; T249-T253 PolarHBondContact O-OG1 3.05Å; T253-R257 PolarHBondContact O-N 3.01Å
254	A	87.7	Confident	91.6	Very high	50 Å²	50	29.6 Å²	29.6	41%	0.413	17%	0.169	S	C	.	.	H	α-helix	trans	-68.6	-43.3	176.1	0	0	0	0	0	111.8	T250 Q251 G252 R257 K258	T250-A254 WeakPolarHBondContact O-CB 3.45Å; T250-A254 PolarHBondContact O-N 3.35Å; Q251-A254 PolarHBondContact O-N 3.15Å; G252-A254 VanDerWaalsContact C-N 3.29Å; G252-A254 PolarHBondContact O-N 3.5Å; A254-R257 WeakPolarHBondContact O-CB 3.34Å; A254-R257 PolarHBondContact O-N 3.33Å; A254-K258 PolarHBondContact O-N 2.86Å
255	E	89.6	Confident	91.3	Very high	13 Å²	13	30.5 Å²	30.5	6%	0.061	18%	0.175	C	C	.	.	H	α-helix	trans	-65.9	-39.7	177.8	-171.2	61.6	-147.7	0	0	111.5	Q251 G252 R257 K258 W259 Q510 A513 E514	Q251-E255 WeakPolarHBondContact O-CB 3.33Å; Q251-E255 PolarHBondContact O-N 3.44Å; G252-E255 PolarHBondContact O-N 3.45Å; E255-R257 VanDerWaalsContact C-N 3.32Å; E255-R257 PolarHBondContact O-N 3.33Å; E255-K258 CarbonylContact O-C 3.52Å; E255-K258 WeakPolarHBondContact O-CA 3.46Å; E255-K258 WeakPolarHBondContact O-CB 3.36Å; E255-K258 PolarHBondContact O-N 2.99Å; E255-K258 VanDerWaalsContact O-N 3.12Å; E255-K258 IonicContact OE1-NZ 2.84Å; E255-K258 PolarHBondContact OE1-NZ 3.14Å; E255-K258 IonicContact OE2-NZ 3.87Å; E255-K258 PolarHBondContact OE2-NZ 2.89Å; E255-W259 HydrophobicContact CG-CZ2 4.41Å; E255-W259 VanDerWaalsContact O-CD1 3.28Å; E255-W259 PolarHBondContact O-N 3.48Å; E255-W259 VanDerWaalsContact OE1-CD1 3.27Å; E255-W259 PolarHBondContact OE1-NE1 2.94Å; E255-Q510 PolarHBondContact OE1-NE2 3.17Å; E255-Q510 PolarHBondContact OE2-NE2 3.32Å; E255-A513 HydrophobicContact CB-CB 3.98Å; E255-A513 HydrophobicContact CG-CB 4.39Å; E255-E514 HydrophobicContact CG-CG 4.27Å
256	L	93.8	Very high	91.1	Very high	0 Å²	0	29 Å²	29	0%	0	17%	0.169	C	C	.	.	H	α-helix	trans	-60.6	-43.6	173.8	177.4	62.2	0	0	0	111	F241 L244 N245 G252 K258 W259 M260 C517 F521	F241-L256 HydrophobicContact CD2-CD2 4.5Å; F241-L256 HydrophobicContact CE2-CD2 4.11Å; F241-L256 HydrophobicContact CE2-CG 4.13Å; L244-L256 HydrophobicContact CB-CD2 4.49Å; N245-L256 HydrophobicContact CB-CD2 3.81Å; G252-L256 WeakPolarHBondContact O-CB 3.28Å; G252-L256 PolarHBondContact O-N 2.98Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 3.3Å; L256-W259 PolarHBondContact O-N 3.05Å; L256-M260 HydrophobicContact CD1-CG 4.24Å; L256-M260 HydrophobicContact CD1-SD 4.23Å; L256-M260 HydrophobicContact CG-SD 4.26Å; L256-M260 WeakPolarHBondContact O-CB 3.46Å; L256-M260 WeakPolarHBondContact O-CG 3.4Å; L256-M260 PolarHBondContact O-N 2.86Å; L256-C517 PolarHBondContact N-SG 2.64Å; L256-F521 HydrophobicContact CD1-CD1 4.32Å; L256-F521 HydrophobicContact CD1-CE1 3.51Å; L256-F521 HydrophobicContact CD1-CZ 4.02Å
257	R	90.3	Very high	90.9	Very high	89 Å²	89	29.7 Å²	29.7	34%	0.336	17%	0.172	S	C	.	.	H	α-helix	trans	-62.3	-37.7	176.3	-171.8	177.9	-69	108.2	-3	111.3	I217 F241 T253 A254 E255 G261	I217-R257 HydrophobicContact CD1-CG 4.3Å; F241-R257 HydrophobicContact CE2-CB 3.91Å; F241-R257 HydrophobicContact CE2-CG 4.5Å; T253-R257 PolarHBondContact O-N 3.01Å; A254-R257 WeakPolarHBondContact O-CB 3.34Å; A254-R257 PolarHBondContact O-N 3.33Å; E255-R257 VanDerWaalsContact C-N 3.32Å; E255-R257 PolarHBondContact O-N 3.33Å; R257-G261 PolarHBondContact O-N 3.13Å
258	K	85.6	Confident	90.6	Very high	68 Å²	68	35.3 Å²	35.3	30%	0.296	20%	0.196	S	C	.	.	H	α-helix	trans	-64.2	-47.9	173.4	174.3	-175.9	163.9	-148.5	0	111.2	E71 A254 E255 L256 M260 G261 S262	E71-K258 IonicContact OE2-NZ 3.21Å; E71-K258 PolarHBondContact OE2-NZ 3.13Å; A254-K258 PolarHBondContact O-N 2.86Å; E255-K258 CarbonylContact O-C 3.52Å; E255-K258 WeakPolarHBondContact O-CA 3.46Å; E255-K258 WeakPolarHBondContact O-CB 3.36Å; E255-K258 PolarHBondContact O-N 2.99Å; E255-K258 VanDerWaalsContact O-N 3.12Å; E255-K258 IonicContact OE1-NZ 2.84Å; E255-K258 PolarHBondContact OE1-NZ 3.14Å; E255-K258 IonicContact OE2-NZ 3.87Å; E255-K258 PolarHBondContact OE2-NZ 2.89Å; L256-K258 VanDerWaalsContact C-N 3.27Å; L256-K258 PolarHBondContact O-N 3.3Å; K258-M260 VanDerWaalsContact C-N 3.31Å; K258-M260 PolarHBondContact O-N 2.84Å; K258-G261 CarbonylContact O-C 3.53Å; K258-G261 PolarHBondContact O-N 2.95Å; K258-G261 VanDerWaalsContact O-N 3.17Å; K258-S262 WeakPolarHBondContact O-CB 3.3Å; K258-S262 PolarHBondContact O-N 3.48Å
259	W	90.2	Very high	90.3	Very high	10 Å²	10	35.4 Å²	35.4	4%	0.038	20%	0.197	C	C	.	.	H	α-helix	trans	-59.2	-42.1	177.1	-70.7	10.4	0	0	0	112.3	E255 L256 S262 R273 Y344 E514 C517 L518 F521	E255-W259 HydrophobicContact CG-CZ2 4.41Å; E255-W259 VanDerWaalsContact O-CD1 3.28Å; E255-W259 PolarHBondContact O-N 3.48Å; E255-W259 VanDerWaalsContact OE1-CD1 3.27Å; E255-W259 PolarHBondContact OE1-NE1 2.94Å; L256-W259 PolarHBondContact O-N 3.05Å; W259-S262 CarbonylContact O-C 3.43Å; W259-S262 VanDerWaalsContact O-C 3.32Å; W259-S262 PolarHBondContact O-N 3.01Å; W259-R273 VanDerWaalsContact CD1-NH2 3.29Å; W259-R273 VanDerWaalsContact CG-NH2 3.29Å; W259-R273 VanDerWaalsContact NE1-NH2 3.17Å; W259-Y344 WeakPolarHBondContact CZ2-OH 3.32Å; W259-E514 HydrophobicContact CH2-CB 4.43Å; W259-E514 HydrophobicContact CZ2-CB 4.06Å; W259-E514 HydrophobicContact CZ2-CG 3.88Å; W259-C517 HydrophobicContact CD2-CB 4.32Å; W259-C517 HydrophobicContact CE3-CB 3.75Å; W259-C517 HydrophobicContact CH2-CB 3.58Å; W259-C517 HydrophobicContact CZ2-CB 4.15Å; W259-C517 HydrophobicContact CZ3-CB 3.35Å; W259-L518 HydrophobicContact CH2-CD2 4.11Å; W259-L518 HydrophobicContact CH2-CG 4.03Å; W259-L518 HydrophobicContact CZ3-CD2 4.11Å; W259-L518 HydrophobicContact CZ3-CG 4.35Å; W259-F521 AromaticContact CE3-CE2 3.85Å; W259-F521 HydrophobicContact CE3-CE2 3.85Å; W259-F521 HydrophobicContact CE3-CZ 4.01Å; W259-F521 HydrophobicContact CZ3-CD2 4.46Å; W259-F521 AromaticContact CZ3-CE2 3.98Å; W259-F521 HydrophobicContact CZ3-CE2 3.98Å
260	M	90.6	Very high	90.3	Very high	0 Å²	0	35.2 Å²	35.2	0%	0	20%	0.196	C	C	.	.	H	α-helix	trans	-72.1	-33.7	177.2	-69.7	-174.1	69.5	0	0	112.6	M211 I216 I217 L240 F241 L244 L256 K258 S262 Y595 I599	M211-M260 VanDerWaalsContact CE-O 3.27Å; M211-M260 WeakPolarHBondContact CE-O 3.49Å; I216-M260 HydrophobicContact CG2-CE 3.68Å; I217-M260 HydrophobicContact CD1-CB 3.89Å; L240-M260 HydrophobicContact CB-CE 4.13Å; L240-M260 HydrophobicContact CD2-CE 3.93Å; L240-M260 HydrophobicContact CG-CE 3.89Å; F241-M260 HydrophobicContact CB-CE 4.11Å; F241-M260 HydrophobicContact CB-SD 4.17Å; F241-M260 HydrophobicContact CD2-SD 3.68Å; F241-M260 HydrophobicContact CG-SD 4.41Å; L244-M260 HydrophobicContact CB-SD 4.43Å; L244-M260 HydrophobicContact CD1-CE 3.89Å; L244-M260 HydrophobicContact CD1-SD 3.85Å; L256-M260 HydrophobicContact CD1-CG 4.24Å; L256-M260 HydrophobicContact CD1-SD 4.23Å; L256-M260 HydrophobicContact CG-SD 4.26Å; L256-M260 WeakPolarHBondContact O-CB 3.46Å; L256-M260 WeakPolarHBondContact O-CG 3.4Å; L256-M260 PolarHBondContact O-N 2.86Å; K258-M260 VanDerWaalsContact C-N 3.31Å; K258-M260 PolarHBondContact O-N 2.84Å; M260-S262 PolarHBondContact O-N 3.44Å; M260-Y595 VanDerWaalsContact C-OH 3.22Å; M260-Y595 WeakPolarHBondContact CA-OH 3.33Å; M260-Y595 VanDerWaalsContact CB-OH 3.32Å; M260-Y595 WeakPolarHBondContact CB-OH 3.17Å; M260-Y595 PolarHBondContact O-OH 3.48Å; M260-I599 HydrophobicContact CG-CD1 4.35Å
261	G	85.7	Confident	90.5	Very high	39 Å²	39	33.6 Å²	33.6	40%	0.402	19%	0.186	S	C	.	.	H	α-helix	trans	-74.3	-13.7	174.7	0	0	0	0	0	114	R257 K258	R257-G261 PolarHBondContact O-N 3.13Å; K258-G261 CarbonylContact O-C 3.53Å; K258-G261 PolarHBondContact O-N 2.95Å; K258-G261 VanDerWaalsContact O-N 3.17Å
262	S	83.1	Confident	90.8	Very high	37 Å²	37	35.5 Å²	35.5	26%	0.259	19%	0.192	S	C	.	.	S	Bend	trans	-141.4	68.6	-173.6	-69.8	0	0	0	0	110.8	M203 K258 W259 M260	M203-S262 WeakPolarHBondContact CE-OG 3.29Å; K258-S262 WeakPolarHBondContact O-CB 3.3Å; K258-S262 PolarHBondContact O-N 3.48Å; W259-S262 CarbonylContact O-C 3.43Å; W259-S262 VanDerWaalsContact O-C 3.32Å; W259-S262 PolarHBondContact O-N 3.01Å; M260-S262 PolarHBondContact O-N 3.44Å
263	P	90.9	Very high	90.9	Very high	2 Å²	2	36.3 Å²	36.3	1%	0.013	20%	0.195	C	C	.	.			trans	-63.5	151.3	178.6	27.1	-33.3	0	0	0	111.4	M203 L204 V206 Y595 H598 I599	M203-P263 WeakPolarHBondContact CA-O 3.47Å; L204-P263 HydrophobicContact CB-CB 4.06Å; L204-P263 HydrophobicContact CB-CG 3.94Å; L204-P263 HydrophobicContact CD2-CB 4.06Å; L204-P263 HydrophobicContact CD2-CG 4Å; L204-P263 HydrophobicContact CG-CG 4.26Å; L204-P263 PolarHBondContact N-O 3.32Å; L204-P263 WeakPolarHBondContact O-CG 3.44Å; V206-P263 HydrophobicContact CG2-CG 3.86Å; P263-Y595 HydrophobicContact CB-CD2 4.26Å; P263-Y595 HydrophobicContact CB-CE2 3.98Å; P263-Y595 HydrophobicContact CG-CD2 4.22Å; P263-Y595 HydrophobicContact CG-CE2 3.88Å; P263-H598 HydrophobicContact CB-CB 4.11Å; P263-I599 HydrophobicContact CB-CG2 3.88Å
264	I	91.2	Very high	91.1	Very high	13 Å²	13	35 Å²	35	7%	0.067	19%	0.187	C	C	.	.	B	Isolated β-bridge	trans	-104.1	141.6	-167.1	-57.9	151.5	0	0	0	109.6	H202 I269 I270 H598	H202-I264 CarbonylContact O-C 3.6Å; H202-I264 WeakPolarHBondContact O-CA 3.42Å; H202-I264 WeakPolarHBondContact O-CG2 3.28Å; I264-I269 HydrophobicContact CD1-CG2 3.62Å; I264-I269 HydrophobicContact CG1-CG2 4.43Å; I264-I269 HydrophobicContact CG2-CB 3.88Å; I264-I269 HydrophobicContact CG2-CD1 4.12Å; I264-I269 HydrophobicContact CG2-CG2 4.11Å; I264-I270 HydrophobicContact CB-CG1 4.25Å; I264-I270 HydrophobicContact CG2-CG1 4.23Å; I264-H598 WeakPolarHBondContact CA-O 3.49Å; I264-H598 WeakPolarHBondContact CB-O 3.38Å; I264-H598 PolarHBondContact N-O 3.26Å; I264-H598 VanDerWaalsContact O-CB 3.25Å; I264-H598 WeakPolarHBondContact O-CB 3.37Å; I264-H598 PolarHBondContact O-CD2 3.19Å; I264-H598 VanDerWaalsContact O-O 3.13Å
265	S	89.2	Confident	91.5	Very high	20 Å²	20	35.5 Å²	35.5	14%	0.14	18%	0.183	C	C	.	.			trans	-106.8	-6.6	172.1	63.5	0	0	0	0	113.8	H202 M203 E267 T612 F613	H202-S265 VanDerWaalsContact CA-OG 3.27Å; H202-S265 WeakPolarHBondContact CA-OG 3.48Å; H202-S265 PolarHBondContact O-N 2.86Å; H202-S265 PolarHBondContact O-OG 3.36Å; M203-S265 PolarHBondContact N-OG 2.99Å; M203-S265 VanDerWaalsContact N-OG 3.11Å; S265-E267 PolarHBondContact O-N 3.44Å; S265-T612 VanDerWaalsContact O-CG2 3.27Å; S265-T612 WeakPolarHBondContact O-CG2 3.45Å; S265-F613 VanDerWaalsContact CB-O 3.3Å; S265-F613 WeakPolarHBondContact CB-O 3.08Å
266	S	89.9	Confident	91.9	Very high	18 Å²	18	34.9 Å²	34.9	13%	0.126	18%	0.18	C	C	.	.			trans	-74.2	116.4	172.2	177.9	0	0	0	0	111.6	E268 I269 I270	S266-E268 VanDerWaalsContact C-N 3.26Å; S266-E268 PolarHBondContact O-N 2.89Å; S266-E268 PolarHBondContact OG-N 3.31Å; S266-I269 PolarHBondContact O-N 2.89Å; S266-I270 WeakPolarHBondContact O-CD1 3.31Å; S266-I270 VanDerWaalsContact O-CG1 3.23Å; S266-I270 WeakPolarHBondContact O-CG1 3.19Å; S266-I270 PolarHBondContact O-N 3.03Å; S266-I270 VanDerWaalsContact O-N 3.09Å
267	E	92.4	Very high	92.1	Very high	67 Å²	67	34.9 Å²	34.9	31%	0.313	18%	0.18	S	C	.	.	H	α-helix	trans	-56.6	-38.9	174.7	175.2	170.5	178.8	0	0	112.8	S265 I269 I270 T271 I535 T612	S265-E267 PolarHBondContact O-N 3.44Å; E267-I269 PolarHBondContact O-N 2.85Å; E267-I270 PolarHBondContact O-N 3.02Å; E267-T271 VanDerWaalsContact O-CB 3.26Å; E267-T271 WeakPolarHBondContact O-CB 3.26Å; E267-T271 PolarHBondContact O-N 3.48Å; E267-T271 PolarHBondContact O-OG1 3.02Å; E267-I535 HydrophobicContact CB-CG2 4.28Å; E267-I535 HydrophobicContact CG-CB 4.31Å; E267-I535 HydrophobicContact CG-CD1 4.31Å; E267-I535 HydrophobicContact CG-CG2 3.79Å; E267-T612 HydrophobicContact CB-CG2 4.13Å
268	E	91.7	Very high	92.4	Very high	135 Å²	135	35.3 Å²	35.3	63%	0.631	19%	0.186	S	C	*	.	H	α-helix	trans	-60	-49.1	179.8	-174.6	-172.2	165.9	0	0	111.2	S266 T271 R272	S266-E268 VanDerWaalsContact C-N 3.26Å; S266-E268 PolarHBondContact O-N 2.89Å; S266-E268 PolarHBondContact OG-N 3.31Å; E268-T271 PolarHBondContact O-N 3.28Å; E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.33Å; E268-R272 PolarHBondContact O-N 3.37Å
269	I	90.8	Very high	93	Very high	62 Å²	62	33.7 Å²	33.7	32%	0.318	18%	0.179	S	C	.	.	H	α-helix	trans	-68.2	-41.6	-178.2	-56.5	175.7	0	0	0	110.3	I264 S266 E267 T271 R272 R273	I264-I269 HydrophobicContact CD1-CG2 3.62Å; I264-I269 HydrophobicContact CG1-CG2 4.43Å; I264-I269 HydrophobicContact CG2-CB 3.88Å; I264-I269 HydrophobicContact CG2-CD1 4.12Å; I264-I269 HydrophobicContact CG2-CG2 4.11Å; S266-I269 PolarHBondContact O-N 2.89Å; E267-I269 PolarHBondContact O-N 2.85Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 3.18Å; I269-R272 PolarHBondContact O-N 2.97Å; I269-R273 PolarHBondContact O-N 3.1Å; I269-R273 VanDerWaalsContact O-N 3.15Å
270	I	95.2	Very high	93.4	Very high	1 Å²	1	33.2 Å²	33.2	1%	0.005	18%	0.177	C	C	.	.	H	α-helix	trans	-60.3	-46	176.3	-61.5	164.6	0	0	0	109.7	I264 S266 E267 R272 R273 L274 I535 T597	I264-I270 HydrophobicContact CB-CG1 4.25Å; I264-I270 HydrophobicContact CG2-CG1 4.23Å; S266-I270 WeakPolarHBondContact O-CD1 3.31Å; S266-I270 VanDerWaalsContact O-CG1 3.23Å; S266-I270 WeakPolarHBondContact O-CG1 3.19Å; S266-I270 PolarHBondContact O-N 3.03Å; S266-I270 VanDerWaalsContact O-N 3.09Å; E267-I270 PolarHBondContact O-N 3.02Å; I270-R272 PolarHBondContact O-N 3.32Å; I270-R273 PolarHBondContact O-N 3.39Å; I270-L274 HydrophobicContact CG2-CD1 3.97Å; I270-L274 HydrophobicContact CG2-CG 4.32Å; I270-L274 WeakPolarHBondContact O-CG 3.32Å; I270-L274 PolarHBondContact O-N 3.21Å; I270-I535 HydrophobicContact CB-CD1 3.65Å; I270-I535 HydrophobicContact CD1-CD1 4.44Å; I270-I535 HydrophobicContact CG2-CD1 3.29Å; I270-I535 HydrophobicContact CG2-CG1 4.34Å; I270-T597 WeakPolarHBondContact CG2-O 3.4Å
271	T	95.6	Very high	93.6	Very high	41 Å²	41	35.8 Å²	35.8	25%	0.252	19%	0.191	S	C	.	.	H	α-helix	trans	-61.8	-45	-180	-60.3	0	0	0	0	111.4	E267 E268 I269 R273 L274 D275	E267-T271 VanDerWaalsContact O-CB 3.26Å; E267-T271 WeakPolarHBondContact O-CB 3.26Å; E267-T271 PolarHBondContact O-N 3.48Å; E267-T271 PolarHBondContact O-OG1 3.02Å; E268-T271 PolarHBondContact O-N 3.28Å; I269-T271 VanDerWaalsContact C-N 3.31Å; I269-T271 PolarHBondContact O-N 3.18Å; T271-R273 VanDerWaalsContact C-N 3.28Å; T271-R273 PolarHBondContact O-N 2.97Å; T271-L274 PolarHBondContact O-N 3.05Å; T271-L274 VanDerWaalsContact O-N 3.14Å; T271-D275 WeakPolarHBondContact O-CB 3.27Å; T271-D275 PolarHBondContact O-N 3.08Å
272	R	95.6	Very high	94	Very high	52 Å²	52	35.7 Å²	35.7	20%	0.196	19%	0.19	C	C	.	.	H	α-helix	trans	-58.2	-38.6	176.3	-71.9	173.8	86.5	-149.7	0.6	112.5	E268 I269 I270 A276 Y344 E348	E268-R272 VanDerWaalsContact O-CG 3.31Å; E268-R272 WeakPolarHBondContact O-CG 3.33Å; E268-R272 PolarHBondContact O-N 3.37Å; I269-R272 PolarHBondContact O-N 2.97Å; I270-R272 PolarHBondContact O-N 3.32Å; R272-A276 PolarHBondContact O-N 3.1Å; R272-Y344 HydrophobicContact CB-CD1 3.97Å; R272-Y344 HydrophobicContact CB-CG 4.03Å; R272-E348 IonicContact CZ-OE1 3.69Å; R272-E348 IonicContact NH1-OE1 3.51Å; R272-E348 PolarHBondContact NH1-OE1 3.16Å; R272-E348 IonicContact NH2-OE1 3.03Å
273	R	96.7	Very high	94.3	Very high	16 Å²	16	37.2 Å²	37.2	6%	0.06	21%	0.211	C	C	.	.	H	α-helix	trans	-67.7	-47	174	-72.4	-177.5	176.3	-174	0.9	112	W259 I269 I270 T271 D275 A276 V277 Y344 L518 I599	W259-R273 VanDerWaalsContact CD1-NH2 3.29Å; W259-R273 VanDerWaalsContact CG-NH2 3.29Å; W259-R273 VanDerWaalsContact NE1-NH2 3.17Å; I269-R273 PolarHBondContact O-N 3.1Å; I269-R273 VanDerWaalsContact O-N 3.15Å; I270-R273 PolarHBondContact O-N 3.39Å; T271-R273 VanDerWaalsContact C-N 3.28Å; T271-R273 PolarHBondContact O-N 2.97Å; R273-D275 VanDerWaalsContact C-N 3.3Å; R273-D275 PolarHBondContact O-N 3.2Å; R273-A276 PolarHBondContact O-N 2.62Å; R273-V277 WeakPolarHBondContact O-CG2 3.26Å; R273-V277 PolarHBondContact O-N 2.95Å; R273-Y344 HydrophobicContact CG-CE1 3.87Å; R273-L518 HydrophobicContact CB-CD2 4.3Å; R273-L518 HydrophobicContact CG-CD2 4.31Å; R273-I599 WeakPolarHBondContact CD-O 3.48Å; R273-I599 PolarHBondContact NH1-O 2.98Å
274	L	97.3	Very high	94.3	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	24%	0.241	C	C	.	.	H	α-helix	trans	-61.6	-39.2	179	-69.5	173.9	0	0	0	111.8	I270 T271 V277 E278 R532 P533 I535 S601 Y602	I270-L274 HydrophobicContact CG2-CD1 3.97Å; I270-L274 HydrophobicContact CG2-CG 4.32Å; I270-L274 WeakPolarHBondContact O-CG 3.32Å; I270-L274 PolarHBondContact O-N 3.21Å; T271-L274 PolarHBondContact O-N 3.05Å; T271-L274 VanDerWaalsContact O-N 3.14Å; L274-V277 PolarHBondContact O-N 3.08Å; L274-E278 WeakPolarHBondContact O-CB 3.26Å; L274-E278 PolarHBondContact O-N 2.84Å; L274-R532 VanDerWaalsContact CB-CZ 3.42Å; L274-R532 VanDerWaalsContact CB-NH2 3.35Å; L274-R532 HydrophobicContact CD2-CG 4.48Å; L274-R532 PolarHBondContact O-NH1 3.49Å; L274-R532 VanDerWaalsContact O-NH1 3.12Å; L274-P533 HydrophobicContact CD1-CG 4.09Å; L274-P533 HydrophobicContact CD2-CG 4.11Å; L274-I535 HydrophobicContact CD1-CD1 4.1Å; L274-I535 HydrophobicContact CD1-CG1 4.46Å; L274-S601 WeakPolarHBondContact CD2-O 3.42Å; L274-Y602 HydrophobicContact CD2-CD2 3.99Å; L274-Y602 HydrophobicContact CD2-CE2 4.22Å
275	D	96.7	Very high	94.4	Very high	61 Å²	61	43.5 Å²	43.5	33%	0.326	24%	0.238	S	C	.	.	H	α-helix	trans	-63.4	-42.1	177.3	-71	-8.4	0	0	0	112.1	T271 R273 E278 F279 R532	T271-D275 WeakPolarHBondContact O-CB 3.27Å; T271-D275 PolarHBondContact O-N 3.08Å; R273-D275 VanDerWaalsContact C-N 3.3Å; R273-D275 PolarHBondContact O-N 3.2Å; D275-E278 PolarHBondContact O-N 2.97Å; D275-F279 WeakPolarHBondContact O-CB 3.39Å; D275-F279 PolarHBondContact O-N 2.79Å; D275-R532 IonicContact OD1-CZ 2.97Å; D275-R532 IonicContact OD1-NH1 3.58Å; D275-R532 PolarHBondContact OD1-NH1 2.88Å; D275-R532 IonicContact OD1-NH2 3.48Å; D275-R532 PolarHBondContact OD1-NH2 2.66Å
276	A	97.3	Very high	94.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-65.5	-41	175.2	0	0	0	0	0	111.9	R272 R273 F279 F280 K342 L343 L518	R272-A276 PolarHBondContact O-N 3.1Å; R273-A276 PolarHBondContact O-N 2.62Å; A276-F279 PolarHBondContact O-N 2.94Å; A276-F280 WeakPolarHBondContact O-CD2 3.33Å; A276-F280 PolarHBondContact O-N 3.35Å; A276-F280 VanDerWaalsContact O-N 3.07Å; A276-K342 WeakPolarHBondContact CA-O 3.4Å; A276-L343 HydrophobicContact CB-CD2 4.01Å; A276-L518 HydrophobicContact CB-CD1 3.81Å; A276-L518 HydrophobicContact CB-CD2 4.02Å; A276-L518 HydrophobicContact CB-CG 4.37Å
277	V	97.9	Very high	95	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-64.7	-45.5	175.8	175.7	0	0	0	0	111	R273 L274 F279 F280 L281 L518 F521 A522 Y602	R273-V277 WeakPolarHBondContact O-CG2 3.26Å; R273-V277 PolarHBondContact O-N 2.95Å; L274-V277 PolarHBondContact O-N 3.08Å; V277-F279 VanDerWaalsContact C-N 3.32Å; V277-F279 PolarHBondContact O-N 3.42Å; V277-F280 PolarHBondContact O-N 3.21Å; V277-L281 HydrophobicContact CG1-CD1 4Å; V277-L281 VanDerWaalsContact O-CG 3.32Å; V277-L281 WeakPolarHBondContact O-CG 3.37Å; V277-L281 PolarHBondContact O-N 2.98Å; V277-L281 VanDerWaalsContact O-N 3.1Å; V277-L518 HydrophobicContact CG2-CD2 4.38Å; V277-F521 HydrophobicContact CG2-CB 3.63Å; V277-F521 HydrophobicContact CG2-CD2 4.21Å; V277-F521 HydrophobicContact CG2-CG 4.46Å; V277-A522 HydrophobicContact CG1-CB 4.28Å; V277-Y602 HydrophobicContact CB-CD2 4.24Å; V277-Y602 HydrophobicContact CB-CE2 3.93Å; V277-Y602 HydrophobicContact CG1-CD2 3.56Å; V277-Y602 HydrophobicContact CG1-CE2 3.48Å; V277-Y602 VanDerWaalsContact CG1-CE2 3.48Å; V277-Y602 HydrophobicContact CG1-CG 4.25Å
278	E	97.5	Very high	95.2	Very high	99 Å²	99	47.2 Å²	47.2	46%	0.463	25%	0.254	S	S	.	.	H	α-helix	trans	-59.6	-43.2	176.1	-175.9	171.1	-157.3	0	0	111.8	L274 D275 F280 L281 G282 R532 Y602	L274-E278 WeakPolarHBondContact O-CB 3.26Å; L274-E278 PolarHBondContact O-N 2.84Å; D275-E278 PolarHBondContact O-N 2.97Å; E278-F280 PolarHBondContact O-N 3Å; E278-L281 PolarHBondContact O-N 3.41Å; E278-L281 VanDerWaalsContact O-N 3.17Å; E278-G282 PolarHBondContact O-N 2.64Å; E278-G282 VanDerWaalsContact O-N 3.16Å; E278-R532 IonicContact OE2-CZ 2.93Å; E278-R532 IonicContact OE2-NE 3.65Å; E278-R532 IonicContact OE2-NH1 2.59Å; E278-R532 PolarHBondContact OE2-NH1 2.73Å; E278-Y602 VanDerWaalsContact CA-OH 3.27Å; E278-Y602 WeakPolarHBondContact CA-OH 3.46Å; E278-Y602 VanDerWaalsContact CB-OH 3.25Å; E278-Y602 WeakPolarHBondContact CB-OH 3.35Å
279	F	97.7	Very high	95.5	Very high	33 Å²	33	41.2 Å²	41.2	15%	0.145	23%	0.226	C	C	.	.	H	α-helix	trans	-57.8	-48.9	175.2	169.9	-106.2	0	0	0	111.5	D275 A276 V277 L281 G282 G285 L288 Y339 K342 L343	D275-F279 WeakPolarHBondContact O-CB 3.39Å; D275-F279 PolarHBondContact O-N 2.79Å; A276-F279 PolarHBondContact O-N 2.94Å; V277-F279 VanDerWaalsContact C-N 3.32Å; V277-F279 PolarHBondContact O-N 3.42Å; F279-L281 PolarHBondContact O-N 3.43Å; F279-G282 PolarHBondContact O-N 3.02Å; F279-G282 VanDerWaalsContact O-N 3.12Å; F279-G282 VanDerWaalsContact O-O 3.09Å; F279-G285 VanDerWaalsContact O-CA 3.31Å; F279-G285 WeakPolarHBondContact O-CA 3.46Å; F279-L288 HydrophobicContact CE1-CD2 3.71Å; F279-L288 HydrophobicContact CZ-CD2 4Å; F279-Y339 HydrophobicContact CE1-CD1 4.32Å; F279-Y339 HydrophobicContact CE1-CG 4.11Å; F279-Y339 AromaticContact CE2-CD1 3.67Å; F279-Y339 HydrophobicContact CE2-CD1 3.67Å; F279-Y339 HydrophobicContact CE2-CE1 4.01Å; F279-Y339 HydrophobicContact CE2-CG 4.28Å; F279-Y339 AromaticContact CZ-CD1 3.32Å; F279-Y339 HydrophobicContact CZ-CD1 3.32Å; F279-Y339 HydrophobicContact CZ-CD2 4.09Å; F279-Y339 AromaticContact CZ-CE1 3.71Å; F279-Y339 HydrophobicContact CZ-CE1 3.71Å; F279-Y339 HydrophobicContact CZ-CE2 4.42Å; F279-Y339 AromaticContact CZ-CG 3.52Å; F279-Y339 HydrophobicContact CZ-CG 3.52Å; F279-K342 HydrophobicContact CB-CB 4.1Å; F279-K342 HydrophobicContact CD1-CB 4.3Å; F279-K342 HydrophobicContact CD2-CB 4.06Å; F279-K342 HydrophobicContact CD2-CG 4.1Å; F279-K342 HydrophobicContact CG-CB 3.88Å; F279-K342 HydrophobicContact CG-CG 4.39Å; F279-L343 HydrophobicContact CD1-CD2 3.81Å; F279-L343 HydrophobicContact CD1-CG 4.15Å; F279-L343 HydrophobicContact CE1-CD1 4.2Å; F279-L343 HydrophobicContact CE1-CD2 4.21Å; F279-L343 HydrophobicContact CE1-CG 4.15Å
280	F	98	Very high	95.8	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.234	C	C	.	.	H	α-helix	trans	-62.7	-27.3	178	-75.3	-50	0	0	0	113.9	A276 V277 E278 G285 T286 L288 L289 I292 L343 L518 A522	A276-F280 WeakPolarHBondContact O-CD2 3.33Å; A276-F280 PolarHBondContact O-N 3.35Å; A276-F280 VanDerWaalsContact O-N 3.07Å; V277-F280 PolarHBondContact O-N 3.21Å; E278-F280 PolarHBondContact O-N 3Å; F280-G285 CarbonylContact O-C 3.57Å; F280-T286 VanDerWaalsContact O-CA 3.24Å; F280-T286 WeakPolarHBondContact O-CA 3.33Å; F280-T286 PolarHBondContact O-N 3.06Å; F280-T286 PolarHBondContact O-OG1 3.17Å; F280-T286 VanDerWaalsContact O-OG1 3.07Å; F280-L288 HydrophobicContact CE1-CD2 4.28Å; F280-L289 HydrophobicContact CB-CB 4.44Å; F280-L289 HydrophobicContact CB-CD1 4.44Å; F280-L289 HydrophobicContact CB-CD2 4.38Å; F280-L289 HydrophobicContact CD1-CB 3.89Å; F280-L289 HydrophobicContact CD1-CD1 4.17Å; F280-L289 HydrophobicContact CG-CB 4.46Å; F280-L289 HydrophobicContact CG-CD1 4.23Å; F280-I292 HydrophobicContact CE1-CD1 3.82Å; F280-I292 HydrophobicContact CZ-CD1 4.07Å; F280-L343 HydrophobicContact CD2-CD2 4.45Å; F280-L343 HydrophobicContact CE1-CD1 4.48Å; F280-L343 HydrophobicContact CE1-CD2 4.21Å; F280-L343 HydrophobicContact CE2-CD2 3.68Å; F280-L343 HydrophobicContact CZ-CD1 4.16Å; F280-L343 HydrophobicContact CZ-CD2 3.54Å; F280-L518 HydrophobicContact CD2-CB 4.41Å; F280-L518 HydrophobicContact CE2-CB 3.92Å; F280-A522 HydrophobicContact CB-CB 3.65Å; F280-A522 HydrophobicContact CD2-CB 4.46Å; F280-A522 HydrophobicContact CG-CB 4.44Å
281	L	96.3	Very high	95.9	Very high	55 Å²	55	46.2 Å²	46.2	29%	0.288	26%	0.256	S	S	.	.	H	α-helix	trans	-81.1	-15.2	177.4	-68.5	172.8	0	0	0	113.8	V277 E278 F279 T286 A522 A525 K526 Y602	V277-L281 HydrophobicContact CG1-CD1 4Å; V277-L281 VanDerWaalsContact O-CG 3.32Å; V277-L281 WeakPolarHBondContact O-CG 3.37Å; V277-L281 PolarHBondContact O-N 2.98Å; V277-L281 VanDerWaalsContact O-N 3.1Å; E278-L281 PolarHBondContact O-N 3.41Å; E278-L281 VanDerWaalsContact O-N 3.17Å; F279-L281 PolarHBondContact O-N 3.43Å; L281-T286 PolarHBondContact O-OG1 3.39Å; L281-A522 HydrophobicContact CD2-CB 4.4Å; L281-A522 WeakPolarHBondContact CD2-O 3.22Å; L281-A522 HydrophobicContact CG-CB 4.42Å; L281-A525 HydrophobicContact CD1-CB 4.07Å; L281-K526 HydrophobicContact CD2-CB 3.84Å; L281-Y602 HydrophobicContact CD1-CD1 3.95Å; L281-Y602 HydrophobicContact CD1-CE1 3.39Å; L281-Y602 HydrophobicContact CD1-CE2 4.46Å
282	G	92.8	Very high	96	Very high	37 Å²	37	44.2 Å²	44.2	38%	0.381	24%	0.244	S	C	.	.	S	Bend	trans	-117	139.1	-172.7	0	0	0	0	0	115.3	E278 F279 K284 G285	E278-G282 PolarHBondContact O-N 2.64Å; E278-G282 VanDerWaalsContact O-N 3.16Å; F279-G282 PolarHBondContact O-N 3.02Å; F279-G282 VanDerWaalsContact O-N 3.12Å; F279-G282 VanDerWaalsContact O-O 3.09Å; G282-K284 PolarHBondContact O-N 2.95Å; G282-G285 PolarHBondContact O-N 3.01Å
283	G	89.2	Confident	96.1	Very high	68 Å²	68	43.8 Å²	43.8	70%	0.701	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.5	-120.9	165	0	0	0	0	0	114.6	G285 T286	G283-G285 VanDerWaalsContact C-N 3.27Å; G283-G285 PolarHBondContact O-N 2.83Å; G283-T286 PolarHBondContact O-N 3.37Å
284	K	90.9	Very high	96.2	Very high	147 Å²	147	47.3 Å²	47.3	64%	0.639	27%	0.266	S	S	*	.	H	α-helix	trans	-63.4	-29.9	178.8	-65.9	-175	179.3	-178	0	113	G282 T286 Q287 L288	G282-K284 PolarHBondContact O-N 2.95Å; K284-T286 VanDerWaalsContact C-N 3.27Å; K284-T286 PolarHBondContact O-N 3.27Å; K284-Q287 PolarHBondContact O-N 2.98Å; K284-L288 PolarHBondContact O-N 3.45Å
285	G	94.6	Very high	96.2	Very high	0 Å²	0	47.8 Å²	47.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-68.2	-26.5	-177.9	0	0	0	0	0	113	F279 F280 G282 G283 L288 L289	F279-G285 VanDerWaalsContact O-CA 3.31Å; F279-G285 WeakPolarHBondContact O-CA 3.46Å; F280-G285 CarbonylContact O-C 3.57Å; G282-G285 PolarHBondContact O-N 3.01Å; G283-G285 VanDerWaalsContact C-N 3.27Å; G283-G285 PolarHBondContact O-N 2.83Å; G285-L288 PolarHBondContact O-N 2.66Å; G285-L289 VanDerWaalsContact O-CB 3.31Å; G285-L289 WeakPolarHBondContact O-CB 3.33Å; G285-L289 PolarHBondContact O-N 2.83Å
286	T	95.9	Very high	96.3	Very high	47 Å²	47	44.9 Å²	44.9	29%	0.288	25%	0.253	S	S	.	.	H	α-helix	trans	-70.1	-34.9	174.5	-54.9	0	0	0	0	112.7	F280 L281 G283 K284 S290	F280-T286 VanDerWaalsContact O-CA 3.24Å; F280-T286 WeakPolarHBondContact O-CA 3.33Å; F280-T286 PolarHBondContact O-N 3.06Å; F280-T286 PolarHBondContact O-OG1 3.17Å; F280-T286 VanDerWaalsContact O-OG1 3.07Å; L281-T286 PolarHBondContact O-OG1 3.39Å; G283-T286 PolarHBondContact O-N 3.37Å; K284-T286 VanDerWaalsContact C-N 3.27Å; K284-T286 PolarHBondContact O-N 3.27Å; T286-S290 PolarHBondContact O-N 3.09Å
287	Q	95.7	Very high	96.2	Very high	130 Å²	130	52.2 Å²	52.2	61%	0.607	29%	0.285	S	S	*	.	H	α-helix	trans	-70.2	-44.8	172.2	-66.8	174.2	-12.5	0	0	110.3	K284 L289 S290 E291	K284-Q287 PolarHBondContact O-N 2.98Å; Q287-L289 VanDerWaalsContact C-N 3.27Å; Q287-L289 PolarHBondContact O-N 2.99Å; Q287-S290 PolarHBondContact O-N 3.39Å; Q287-S290 VanDerWaalsContact O-N 3.16Å; Q287-S290 PolarHBondContact O-OG 3.42Å; Q287-E291 PolarHBondContact O-N 3.39Å; Q287-E291 VanDerWaalsContact O-N 3.12Å
288	L	96.8	Very high	96.1	Very high	7 Å²	7	56.9 Å²	56.9	4%	0.037	30%	0.303	C	S	.	.	H	α-helix	trans	-59.6	-39.3	175.2	-173.7	70.1	0	0	0	111.9	F279 F280 K284 G285 S290 E291 I292 M335 Y339 L343	F279-L288 HydrophobicContact CE1-CD2 3.71Å; F279-L288 HydrophobicContact CZ-CD2 4Å; F280-L288 HydrophobicContact CE1-CD2 4.28Å; K284-L288 PolarHBondContact O-N 3.45Å; G285-L288 PolarHBondContact O-N 2.66Å; L288-S290 VanDerWaalsContact C-N 3.33Å; L288-S290 PolarHBondContact O-N 2.88Å; L288-E291 PolarHBondContact O-N 3.26Å; L288-I292 HydrophobicContact CD1-CD1 4.18Å; L288-I292 HydrophobicContact CD1-CG1 4.24Å; L288-I292 HydrophobicContact CD2-CD1 3.94Å; L288-I292 HydrophobicContact CG-CD1 3.64Å; L288-I292 HydrophobicContact CG-CG1 4.1Å; L288-I292 VanDerWaalsContact O-CB 3.3Å; L288-I292 WeakPolarHBondContact O-CB 3.42Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 2.87Å; L288-M335 HydrophobicContact CD1-CB 4.05Å; L288-Y339 HydrophobicContact CD1-CE2 4.14Å; L288-Y339 HydrophobicContact CD2-CD2 3.49Å; L288-Y339 VanDerWaalsContact CD2-CD2 3.49Å; L288-Y339 HydrophobicContact CD2-CE2 3.65Å; L288-Y339 HydrophobicContact CD2-CG 4.28Å; L288-Y339 HydrophobicContact CG-CE2 4.39Å; L288-L343 HydrophobicContact CD2-CD1 4.21Å
289	L	97.2	Very high	96.1	Very high	8 Å²	8	52.7 Å²	52.7	4%	0.042	28%	0.284	C	S	.	.	H	α-helix	trans	-58.6	-43.6	176.7	177.2	64.8	0	0	0	111.5	F280 G285 Q287 R293 C519 A522 M523	F280-L289 HydrophobicContact CB-CB 4.44Å; F280-L289 HydrophobicContact CB-CD1 4.44Å; F280-L289 HydrophobicContact CB-CD2 4.38Å; F280-L289 HydrophobicContact CD1-CB 3.89Å; F280-L289 HydrophobicContact CD1-CD1 4.17Å; F280-L289 HydrophobicContact CG-CB 4.46Å; F280-L289 HydrophobicContact CG-CD1 4.23Å; G285-L289 VanDerWaalsContact O-CB 3.31Å; G285-L289 WeakPolarHBondContact O-CB 3.33Å; G285-L289 PolarHBondContact O-N 2.83Å; Q287-L289 VanDerWaalsContact C-N 3.27Å; Q287-L289 PolarHBondContact O-N 2.99Å; L289-R293 HydrophobicContact CD1-CG 4.3Å; L289-R293 WeakPolarHBondContact O-CB 3.31Å; L289-R293 WeakPolarHBondContact O-CG 3.25Å; L289-R293 PolarHBondContact O-N 3.48Å; L289-C519 HydrophobicContact CD1-CB 3.62Å; L289-C519 VanDerWaalsContact CD1-SG 3.52Å; L289-A522 HydrophobicContact CD2-CB 4.27Å; L289-M523 HydrophobicContact CD2-SD 4.13Å
290	S	96.5	Very high	95.8	Very high	69 Å²	69	51.9 Å²	51.9	48%	0.483	28%	0.284	S	S	.	.	H	α-helix	trans	-67.4	-43.5	178.8	63.2	0	0	0	0	111.2	T286 Q287 L288 R293 T294	T286-S290 PolarHBondContact O-N 3.09Å; Q287-S290 PolarHBondContact O-N 3.39Å; Q287-S290 VanDerWaalsContact O-N 3.16Å; Q287-S290 PolarHBondContact O-OG 3.42Å; L288-S290 VanDerWaalsContact C-N 3.33Å; L288-S290 PolarHBondContact O-N 2.88Å; S290-R293 PolarHBondContact O-N 3.27Å; S290-T294 WeakPolarHBondContact O-CG2 3.43Å; S290-T294 PolarHBondContact O-N 2.96Å; S290-T294 VanDerWaalsContact O-N 3.13Å
291	E	97.6	Very high	95.5	Very high	99 Å²	99	54.6 Å²	54.6	46%	0.463	30%	0.299	S	S	.	.	H	α-helix	trans	-60.7	-52.3	176	-68.8	173.6	-169.9	0	0	112	Q287 L288 R293 T294 V295 M335	Q287-E291 PolarHBondContact O-N 3.39Å; Q287-E291 VanDerWaalsContact O-N 3.12Å; L288-E291 PolarHBondContact O-N 3.26Å; E291-R293 VanDerWaalsContact C-N 3.27Å; E291-R293 PolarHBondContact O-N 3Å; E291-T294 PolarHBondContact O-N 3.27Å; E291-T294 PolarHBondContact O-OG1 3.18Å; E291-V295 PolarHBondContact O-N 3.24Å; E291-M335 HydrophobicContact CB-SD 4.27Å
292	I	98.1	Very high	95.3	Very high	0 Å²	0	52 Å²	52	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-53.6	-45.3	176	-76.8	174.7	0	0	0	110.9	F280 L288 T294 V295 L296 L332 M335 C336 I515	F280-I292 HydrophobicContact CE1-CD1 3.82Å; F280-I292 HydrophobicContact CZ-CD1 4.07Å; L288-I292 HydrophobicContact CD1-CD1 4.18Å; L288-I292 HydrophobicContact CD1-CG1 4.24Å; L288-I292 HydrophobicContact CD2-CD1 3.94Å; L288-I292 HydrophobicContact CG-CD1 3.64Å; L288-I292 HydrophobicContact CG-CG1 4.1Å; L288-I292 VanDerWaalsContact O-CB 3.3Å; L288-I292 WeakPolarHBondContact O-CB 3.42Å; L288-I292 VanDerWaalsContact O-CG1 3.31Å; L288-I292 WeakPolarHBondContact O-CG1 3.49Å; L288-I292 PolarHBondContact O-N 2.87Å; I292-T294 VanDerWaalsContact C-N 3.31Å; I292-T294 PolarHBondContact O-N 3Å; I292-V295 PolarHBondContact O-N 3.24Å; I292-V295 VanDerWaalsContact O-N 3.09Å; I292-L296 HydrophobicContact CG2-CD1 3.61Å; I292-L296 HydrophobicContact CG2-CG 4.03Å; I292-L296 WeakPolarHBondContact O-CG 3.43Å; I292-L296 PolarHBondContact O-N 2.85Å; I292-L332 HydrophobicContact CB-CD2 4.23Å; I292-L332 HydrophobicContact CG1-CD2 4.14Å; I292-L332 HydrophobicContact CG2-CD2 3.74Å; I292-M335 HydrophobicContact CG1-CE 4.07Å; I292-C336 WeakPolarHBondContact CD1-SG 3.34Å; I292-I515 HydrophobicContact CD1-CG2 4.34Å; I292-I515 HydrophobicContact CG2-CG2 3.82Å
293	R	97.8	Very high	95	Very high	43 Å²	43	55.1 Å²	55.1	16%	0.162	29%	0.29	C	S	.	.	H	α-helix	trans	-64.5	-32.6	179.3	-74.5	-179.3	70.5	74.3	0.6	112.8	H246 L248 L289 S290 E291 V295	H246-R293 PolarHBondContact O-NH1 3.42Å; H246-R293 PolarHBondContact O-NH2 3.32Å; L248-R293 HydrophobicContact CD1-CB 3.8Å; L248-R293 HydrophobicContact CD1-CG 4.02Å; L248-R293 VanDerWaalsContact CD1-O 3.26Å; L248-R293 WeakPolarHBondContact CD1-O 3.4Å; L289-R293 HydrophobicContact CD1-CG 4.3Å; L289-R293 WeakPolarHBondContact O-CB 3.31Å; L289-R293 WeakPolarHBondContact O-CG 3.25Å; L289-R293 PolarHBondContact O-N 3.48Å; S290-R293 PolarHBondContact O-N 3.27Å; E291-R293 VanDerWaalsContact C-N 3.27Å; E291-R293 PolarHBondContact O-N 3Å; R293-V295 VanDerWaalsContact C-N 3.32Å
294	T	97.7	Very high	94.9	Very high	89 Å²	89	57 Å²	57	55%	0.546	28%	0.279	S	S	.	.	H	α-helix	trans	-66.1	-37.8	172.7	66.4	0	0	0	0	111.7	S290 E291 I292	S290-T294 WeakPolarHBondContact O-CG2 3.43Å; S290-T294 PolarHBondContact O-N 2.96Å; S290-T294 VanDerWaalsContact O-N 3.13Å; E291-T294 PolarHBondContact O-N 3.27Å; E291-T294 PolarHBondContact O-OG1 3.18Å; I292-T294 VanDerWaalsContact C-N 3.31Å; I292-T294 PolarHBondContact O-N 3Å
295	V	98	Very high	95	Very high	11 Å²	11	50.3 Å²	50.3	7%	0.067	25%	0.25	C	C	.	.	H	α-helix	trans	-73.7	-41	179	178.9	0	0	0	0	111.9	E291 I292 R293 K297 R298 A328 A331 L332 M335	E291-V295 PolarHBondContact O-N 3.24Å; I292-V295 PolarHBondContact O-N 3.24Å; I292-V295 VanDerWaalsContact O-N 3.09Å; R293-V295 VanDerWaalsContact C-N 3.32Å; V295-K297 PolarHBondContact O-N 3.24Å; V295-R298 WeakPolarHBondContact O-CB 3.41Å; V295-R298 PolarHBondContact O-N 3.24Å; V295-A328 HydrophobicContact CG1-CB 3.73Å; V295-A328 VanDerWaalsContact CG1-O 3.27Å; V295-A328 WeakPolarHBondContact CG1-O 3.35Å; V295-A331 HydrophobicContact CG1-CB 4.05Å; V295-L332 HydrophobicContact CB-CD2 4.24Å; V295-L332 HydrophobicContact CB-CG 4.38Å; V295-L332 HydrophobicContact CG1-CD1 4.32Å; V295-L332 HydrophobicContact CG1-CD2 4.14Å; V295-L332 HydrophobicContact CG1-CG 3.73Å; V295-M335 HydrophobicContact CB-CE 3.82Å; V295-M335 HydrophobicContact CG1-CE 4.14Å; V295-M335 HydrophobicContact CG2-CE 3.5Å; V295-M335 HydrophobicContact CG2-SD 4.12Å
296	L	98	Very high	94.8	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-57.2	-31.4	178.3	-77.2	170	0	0	0	113	L248 T249 I292 R298 V299 L332 D516	L248-L296 HydrophobicContact CB-CB 4.2Å; L248-L296 HydrophobicContact CD1-CB 4.14Å; T249-L296 HydrophobicContact CG2-CB 4.26Å; T249-L296 HydrophobicContact CG2-CD2 3.96Å; T249-L296 WeakPolarHBondContact CG2-O 3.42Å; I292-L296 HydrophobicContact CG2-CD1 3.61Å; I292-L296 HydrophobicContact CG2-CG 4.03Å; I292-L296 WeakPolarHBondContact O-CG 3.43Å; I292-L296 PolarHBondContact O-N 2.85Å; L296-R298 PolarHBondContact O-N 2.81Å; L296-R298 VanDerWaalsContact O-N 3.13Å; L296-V299 WeakPolarHBondContact O-CB 3.47Å; L296-V299 PolarHBondContact O-N 3.35Å; L296-L332 HydrophobicContact CD2-CD1 3.72Å; L296-L332 HydrophobicContact CD2-CD2 4.33Å; L296-L332 HydrophobicContact CG-CD1 4.34Å; L296-L332 HydrophobicContact CG-CD2 4.19Å; L296-D516 HydrophobicContact CD1-CB 4.01Å; L296-D516 HydrophobicContact CD2-CB 4.08Å
297	K	96.6	Very high	94.3	Very high	155 Å²	155	53.3 Å²	53.3	67%	0.674	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-22.3	175.4	-71	179	179.5	-178.7	0	114	L248 V295	L248-K297 HydrophobicContact CD1-CG 4.13Å; V295-K297 PolarHBondContact O-N 3.24Å
298	R	95.9	Very high	94	Very high	98 Å²	98	50.2 Å²	50.2	37%	0.37	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-8.2	179.6	-61	-173.7	-70.1	155.4	2.1	113	V295 L296 G300 D327 A328	V295-R298 WeakPolarHBondContact O-CB 3.41Å; V295-R298 PolarHBondContact O-N 3.24Å; L296-R298 PolarHBondContact O-N 2.81Å; L296-R298 VanDerWaalsContact O-N 3.13Å; R298-G300 PolarHBondContact O-N 2.94Å; R298-D327 IonicContact CZ-OD2 2.79Å; R298-D327 IonicContact NH1-OD2 2.64Å; R298-D327 PolarHBondContact NH1-OD2 2.77Å; R298-D327 IonicContact NH2-OD2 3.5Å; R298-A328 HydrophobicContact CB-CB 3.94Å
299	V	96.5	Very high	93.7	Very high	11 Å²	11	50 Å²	50	7%	0.067	25%	0.245	C	C	.	.			trans	-80.1	112.2	180	177	0	0	0	0	109.4	T249 Q251 L296 T325 A328 M329 L332	T249-V299 HydrophobicContact CG2-CB 3.72Å; T249-V299 HydrophobicContact CG2-CG1 3.9Å; T249-V299 HydrophobicContact CG2-CG2 4.47Å; Q251-V299 VanDerWaalsContact NE2-CG1 3.33Å; L296-V299 WeakPolarHBondContact O-CB 3.47Å; L296-V299 PolarHBondContact O-N 3.35Å; V299-T325 HydrophobicContact CG1-CG2 4.17Å; V299-A328 HydrophobicContact CG2-CB 3.68Å; V299-M329 HydrophobicContact CG1-CE 4.44Å; V299-L332 HydrophobicContact CG2-CD1 4.18Å
300	G	92.8	Very high	93.2	Very high	15 Å²	15	54.5 Å²	54.5	16%	0.155	27%	0.266	C	S	.	.			trans	-79.5	179.6	174.5	0	0	0	0	0	113.3	R298 T302 T325	R298-G300 PolarHBondContact O-N 2.94Å; G300-T302 VanDerWaalsContact C-N 3.33Å; G300-T302 PolarHBondContact O-N 3.43Å; G300-T302 PolarHBondContact O-OG1 3.38Å; G300-T325 PolarHBondContact N-OG1 3.09Å
301	N	91.4	Very high	92.8	Very high	58 Å²	58	55.8 Å²	55.8	31%	0.31	27%	0.271	S	S	.	.			trans	-76.5	85.2	175.8	-171.9	-25.1	0	0	0	110.8	T250 Q303 K304 I305	T250-N301 WeakPolarHBondContact OG1-CB 3.41Å; T250-N301 PolarHBondContact OG1-ND2 3.45Å; N301-Q303 PolarHBondContact O-N 2.92Å; N301-K304 HydrophobicContact CB-CB 4.12Å; N301-K304 VanDerWaalsContact CG-CB 3.47Å; N301-K304 PolarHBondContact O-N 3.18Å; N301-K304 WeakPolarHBondContact OD1-CB 3.4Å; N301-K304 PolarHBondContact OD1-N 3.05Å; N301-K304 VanDerWaalsContact OD1-N 3.11Å; N301-I305 WeakPolarHBondContact O-CG1 3.33Å; N301-I305 PolarHBondContact O-N 2.96Å; N301-I305 VanDerWaalsContact O-N 3.16Å
302	T	91.1	Very high	92.1	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	28%	0.276	C	S	.	.	H	α-helix	trans	-55.8	-47.9	-174.8	-42.2	0	0	0	0	112.6	Q251 G300 K304 I305 I306 I322 M329 I505 S509	Q251-T302 PolarHBondContact OE1-OG1 3.02Å; G300-T302 VanDerWaalsContact C-N 3.33Å; G300-T302 PolarHBondContact O-N 3.43Å; G300-T302 PolarHBondContact O-OG1 3.38Å; T302-K304 PolarHBondContact O-N 3.12Å; T302-I305 PolarHBondContact O-N 3.27Å; T302-I306 HydrophobicContact CG2-CD1 3.93Å; T302-I306 WeakPolarHBondContact O-CG1 3.38Å; T302-I306 PolarHBondContact O-N 3.36Å; T302-I322 HydrophobicContact CG2-CD1 4.39Å; T302-M329 HydrophobicContact CG2-CE 4.18Å; T302-M329 WeakPolarHBondContact OG1-CE 3.46Å; T302-I505 HydrophobicContact CG2-CG2 3.52Å; T302-S509 PolarHBondContact OG1-OG 3.35Å
303	Q	86.3	Confident	91.5	Very high	103 Å²	103	57.7 Å²	57.7	48%	0.481	30%	0.296	S	S	.	.	H	α-helix	trans	-61.8	-43.5	-178.4	-71	179.1	-7.4	0	0	111.9	N301 I305 I306 L307 L506	N301-Q303 PolarHBondContact O-N 2.92Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 2.87Å; Q303-I306 PolarHBondContact O-N 2.87Å; Q303-L307 VanDerWaalsContact O-CG 3.3Å; Q303-L307 WeakPolarHBondContact O-CG 3.39Å; Q303-L307 PolarHBondContact O-N 3.4Å; Q303-L506 HydrophobicContact CG-CD2 3.95Å
304	K	88.2	Confident	91	Very high	107 Å²	107	56.5 Å²	56.5	47%	0.465	30%	0.295	S	S	.	.	H	α-helix	trans	-64.2	-39.8	178.9	-174.9	178.3	179.3	-178.6	0	112.1	N301 T302 R308	N301-K304 HydrophobicContact CB-CB 4.12Å; N301-K304 VanDerWaalsContact CG-CB 3.47Å; N301-K304 PolarHBondContact O-N 3.18Å; N301-K304 WeakPolarHBondContact OD1-CB 3.4Å; N301-K304 PolarHBondContact OD1-N 3.05Å; N301-K304 VanDerWaalsContact OD1-N 3.11Å; T302-K304 PolarHBondContact O-N 3.12Å; K304-R308 WeakPolarHBondContact O-CG 3.46Å; K304-R308 PolarHBondContact O-N 3.47Å; K304-R308 VanDerWaalsContact O-N 3.08Å
305	I	91.3	Very high	90.6	Very high	6 Å²	6	55.5 Å²	55.5	3%	0.031	29%	0.285	C	S	.	.	H	α-helix	trans	-66.8	-46.1	178.6	-67	167.3	0	0	0	110.4	N301 T302 Q303 L307 R308 M309 D318 I321 I322	N301-I305 WeakPolarHBondContact O-CG1 3.33Å; N301-I305 PolarHBondContact O-N 2.96Å; N301-I305 VanDerWaalsContact O-N 3.16Å; T302-I305 PolarHBondContact O-N 3.27Å; Q303-I305 VanDerWaalsContact C-N 3.34Å; Q303-I305 PolarHBondContact O-N 2.87Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-L307 PolarHBondContact O-N 2.88Å; I305-R308 PolarHBondContact O-N 3.43Å; I305-R308 VanDerWaalsContact O-N 3.15Å; I305-M309 HydrophobicContact CG2-CE 3.57Å; I305-M309 HydrophobicContact CG2-CG 4.44Å; I305-M309 HydrophobicContact CG2-SD 3.95Å; I305-M309 WeakPolarHBondContact O-CG 3.19Å; I305-M309 PolarHBondContact O-N 3.27Å; I305-D318 HydrophobicContact CG1-CB 4.33Å; I305-D318 HydrophobicContact CG2-CB 4.15Å; I305-I321 HydrophobicContact CD1-CB 3.96Å; I305-I321 HydrophobicContact CD1-CG2 3.49Å; I305-I321 VanDerWaalsContact CD1-CG2 3.49Å; I305-I322 HydrophobicContact CG2-CB 4.28Å; I305-I322 HydrophobicContact CG2-CD1 4.33Å
306	I	90.8	Very high	90.1	Very high	5 Å²	5	56.2 Å²	56.2	3%	0.026	29%	0.29	C	S	.	.	H	α-helix	trans	-58.5	-45.8	176.7	-70.1	169.5	0	0	0	110.7	T302 Q303 R308 M309 Q310 L499 T502 I505 L506	T302-I306 HydrophobicContact CG2-CD1 3.93Å; T302-I306 WeakPolarHBondContact O-CG1 3.38Å; T302-I306 PolarHBondContact O-N 3.36Å; Q303-I306 PolarHBondContact O-N 2.87Å; I306-R308 VanDerWaalsContact C-N 3.31Å; I306-R308 PolarHBondContact O-N 3.25Å; I306-M309 PolarHBondContact O-N 3.01Å; I306-Q310 HydrophobicContact CG2-CG 4.36Å; I306-Q310 VanDerWaalsContact O-CG 3.31Å; I306-Q310 WeakPolarHBondContact O-CG 3.25Å; I306-Q310 PolarHBondContact O-N 2.88Å; I306-L499 HydrophobicContact CG2-CD2 4.44Å; I306-T502 HydrophobicContact CD1-CG2 4.4Å; I306-T502 HydrophobicContact CG2-CG2 3.8Å; I306-I505 HydrophobicContact CD1-CB 4.37Å; I306-I505 HydrophobicContact CD1-CG2 3.88Å; I306-L506 HydrophobicContact CD1-CD2 3.63Å; I306-L506 HydrophobicContact CD1-CG 3.92Å
307	L	86.9	Confident	89.7	Confident	106 Å²	106	58.5 Å²	58.5	56%	0.555	31%	0.306	S	S	*	.	H	α-helix	trans	-61.3	-37.4	177.5	-73.2	169.6	0	0	0	112.6	Q303 I305 T311	Q303-L307 VanDerWaalsContact O-CG 3.3Å; Q303-L307 WeakPolarHBondContact O-CG 3.39Å; Q303-L307 PolarHBondContact O-N 3.4Å; I305-L307 VanDerWaalsContact C-N 3.33Å; I305-L307 PolarHBondContact O-N 2.88Å; L307-T311 WeakPolarHBondContact O-CG2 3.49Å; L307-T311 PolarHBondContact O-N 2.65Å; L307-T311 PolarHBondContact O-OG1 3.11Å
308	R	89	Confident	89.6	Confident	65 Å²	65	51.3 Å²	51.3	25%	0.245	28%	0.275	C	S	.	.	H	α-helix	trans	-68.3	-40.4	174.7	-77.4	178.9	171.5	-179.8	-9.4	112.5	K304 I305 I306 T311 S312 S313 D318	K304-R308 WeakPolarHBondContact O-CG 3.46Å; K304-R308 PolarHBondContact O-N 3.47Å; K304-R308 VanDerWaalsContact O-N 3.08Å; I305-R308 PolarHBondContact O-N 3.43Å; I305-R308 VanDerWaalsContact O-N 3.15Å; I306-R308 VanDerWaalsContact C-N 3.31Å; I306-R308 PolarHBondContact O-N 3.25Å; R308-T311 WeakPolarHBondContact CA-OG1 3.22Å; R308-T311 CarbonylContact O-C 3.52Å; R308-T311 PolarHBondContact O-N 3.26Å; R308-T311 PolarHBondContact O-OG1 3.23Å; R308-T311 VanDerWaalsContact O-OG1 3.1Å; R308-S312 PolarHBondContact O-N 3.28Å; R308-S312 VanDerWaalsContact O-N 3.1Å; R308-S313 PolarHBondContact O-N 3.15Å; R308-S313 PolarHBondContact O-OG 3.06Å; R308-D318 WeakPolarHBondContact CD-OD2 3.45Å; R308-D318 IonicContact NH1-OD1 3.08Å; R308-D318 PolarHBondContact NH1-OD1 2.88Å; R308-D318 IonicContact NH1-OD2 2.62Å; R308-D318 PolarHBondContact NH1-OD2 3.13Å
309	M	90.2	Very high	89.4	Confident	2 Å²	2	46.7 Å²	46.7	1%	0.01	26%	0.258	C	S	.	.	H	α-helix	trans	-64.4	-41.9	175.3	-70.5	174.5	173.9	0	0	111.5	I305 I306 T311 S312 A314 W319 I322 L498 L499	I305-M309 HydrophobicContact CG2-CE 3.57Å; I305-M309 HydrophobicContact CG2-CG 4.44Å; I305-M309 HydrophobicContact CG2-SD 3.95Å; I305-M309 WeakPolarHBondContact O-CG 3.19Å; I305-M309 PolarHBondContact O-N 3.27Å; I306-M309 PolarHBondContact O-N 3.01Å; M309-T311 PolarHBondContact O-N 2.86Å; M309-S312 PolarHBondContact O-N 3.38Å; M309-S312 VanDerWaalsContact O-N 3.09Å; M309-A314 HydrophobicContact CG-CB 3.95Å; M309-W319 HydrophobicContact CE-CD2 4.34Å; M309-W319 HydrophobicContact CE-CE3 4Å; M309-W319 HydrophobicContact CE-CH2 4.35Å; M309-W319 HydrophobicContact CE-CZ3 4.01Å; M309-I322 HydrophobicContact CE-CG2 4.12Å; M309-L498 HydrophobicContact CE-CD1 4.28Å; M309-L498 HydrophobicContact SD-CD1 4.02Å; M309-L498 HydrophobicContact SD-CD2 3.84Å; M309-L499 HydrophobicContact CB-CD2 4.15Å
310	Q	86.6	Confident	89.3	Confident	103 Å²	103	50.3 Å²	50.3	48%	0.481	27%	0.27	S	S	.	.	H	α-helix	trans	-61.9	-25.5	174.8	-73.4	175.8	-19	0	0	113.6	I306 L499	I306-Q310 HydrophobicContact CG2-CG 4.36Å; I306-Q310 VanDerWaalsContact O-CG 3.31Å; I306-Q310 WeakPolarHBondContact O-CG 3.25Å; I306-Q310 PolarHBondContact O-N 2.88Å; Q310-L499 HydrophobicContact CG-CD1 4.3Å; Q310-L499 HydrophobicContact CG-CD2 3.59Å
311	T	87.7	Confident	89.4	Confident	95 Å²	95	52.2 Å²	52.2	58%	0.583	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.2	12.3	178.4	53.5	0	0	0	0	112.6	L307 R308 M309 S313	L307-T311 WeakPolarHBondContact O-CG2 3.49Å; L307-T311 PolarHBondContact O-N 2.65Å; L307-T311 PolarHBondContact O-OG1 3.11Å; R308-T311 WeakPolarHBondContact CA-OG1 3.22Å; R308-T311 CarbonylContact O-C 3.52Å; R308-T311 PolarHBondContact O-N 3.26Å; R308-T311 PolarHBondContact O-OG1 3.23Å; R308-T311 VanDerWaalsContact O-OG1 3.1Å; M309-T311 PolarHBondContact O-N 2.86Å; T311-S313 PolarHBondContact O-N 3.29Å; T311-S313 PolarHBondContact OG1-OG 3.49Å
312	S	83	Confident	89.6	Confident	80 Å²	80	49.5 Å²	49.5	56%	0.559	26%	0.262	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.4	29.9	-178.5	-48.3	0	0	0	0	113.6	R308 M309	R308-S312 PolarHBondContact O-N 3.28Å; R308-S312 VanDerWaalsContact O-N 3.1Å; M309-S312 PolarHBondContact O-N 3.38Å; M309-S312 VanDerWaalsContact O-N 3.09Å
313	S	86.4	Confident	89.8	Confident	60 Å²	60	50.1 Å²	50.1	42%	0.42	27%	0.265	S	S	.	.			trans	-113	21.4	-177	66.9	0	0	0	0	112.7	R308 T311	R308-S313 PolarHBondContact O-N 3.15Å; R308-S313 PolarHBondContact O-OG 3.06Å; T311-S313 PolarHBondContact O-N 3.29Å; T311-S313 PolarHBondContact OG1-OG 3.49Å
314	A	85.8	Confident	90.2	Very high	18 Å²	18	49.2 Å²	49.2	15%	0.149	26%	0.261	C	S	.	.			trans	-65.8	134.4	179.6	0	0	0	0	0	111.5	M309	M309-A314 HydrophobicContact CG-CB 3.95Å
315	I	89.8	Confident	90.7	Very high	67 Å²	67	44.1 Å²	44.1	34%	0.344	24%	0.238	S	C	.	.			trans	-91.8	150.3	-179.6	-55.9	-179.5	0	0	0	108.8	S317 D318	I315-S317 PolarHBondContact O-N 3.43Å; I315-S317 VanDerWaalsContact O-N 3.07Å; I315-D318 PolarHBondContact N-OD2 3.26Å; I315-D318 WeakPolarHBondContact O-CA 3.33Å; I315-D318 VanDerWaalsContact O-CB 3.23Å; I315-D318 WeakPolarHBondContact O-CB 3.49Å; I315-D318 PolarHBondContact O-N 3.39Å
316	P	87.8	Confident	90.9	Very high	27 Å²	27	43.9 Å²	43.9	18%	0.175	24%	0.237	C	C	.	.	H	α-helix	trans	-47.5	-39.4	176.5	-31.9	35.3	0	0	0	114.6	D318 W319 T375 Q379	P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 PolarHBondContact O-N 2.79Å; P316-W319 PolarHBondContact O-N 3.27Å; P316-T375 HydrophobicContact CB-CG2 3.92Å; P316-Q379 WeakPolarHBondContact CG-O 3.08Å
317	S	90.2	Very high	91.2	Very high	47 Å²	47	46 Å²	46	33%	0.329	25%	0.248	S	C	.	.	H	α-helix	trans	-63.9	-28.7	176.4	60.2	0	0	0	0	114.1	I315 W319 R320 I321	I315-S317 PolarHBondContact O-N 3.43Å; I315-S317 VanDerWaalsContact O-N 3.07Å; S317-W319 PolarHBondContact O-N 2.96Å; S317-R320 PolarHBondContact O-N 2.94Å; S317-I321 WeakPolarHBondContact O-CD1 3.28Å; S317-I321 VanDerWaalsContact O-CG1 3.24Å; S317-I321 WeakPolarHBondContact O-CG1 3.38Å; S317-I321 PolarHBondContact O-N 3.28Å; S317-I321 VanDerWaalsContact O-N 3.07Å
318	D	92.9	Very high	91.7	Very high	5 Å²	5	40.9 Å²	40.9	3%	0.027	22%	0.222	C	C	.	.	H	α-helix	trans	-63.5	-33	-177.8	-66.8	-24.7	0	0	0	110.9	I305 R308 I315 P316 I321 I322	I305-D318 HydrophobicContact CG1-CB 4.33Å; I305-D318 HydrophobicContact CG2-CB 4.15Å; R308-D318 WeakPolarHBondContact CD-OD2 3.45Å; R308-D318 IonicContact NH1-OD1 3.08Å; R308-D318 PolarHBondContact NH1-OD1 2.88Å; R308-D318 IonicContact NH1-OD2 2.62Å; R308-D318 PolarHBondContact NH1-OD2 3.13Å; I315-D318 PolarHBondContact N-OD2 3.26Å; I315-D318 WeakPolarHBondContact O-CA 3.33Å; I315-D318 VanDerWaalsContact O-CB 3.23Å; I315-D318 WeakPolarHBondContact O-CB 3.49Å; I315-D318 PolarHBondContact O-N 3.39Å; P316-D318 VanDerWaalsContact C-N 3.27Å; P316-D318 PolarHBondContact O-N 2.79Å; D318-I321 PolarHBondContact O-N 2.97Å; D318-I322 WeakPolarHBondContact O-CB 3.33Å; D318-I322 WeakPolarHBondContact O-CG2 3.41Å; D318-I322 PolarHBondContact O-N 3.07Å
319	W	93.1	Very high	92	Very high	1 Å²	1	37.9 Å²	37.9	0%	0.004	21%	0.21	C	C	.	.	H	α-helix	trans	-65.1	-44.6	177	-68.2	108.6	0	0	0	113.2	M309 P316 S317 I322 I323 L366 I370 F381 M491 L494 Q495	M309-W319 HydrophobicContact CE-CD2 4.34Å; M309-W319 HydrophobicContact CE-CE3 4Å; M309-W319 HydrophobicContact CE-CH2 4.35Å; M309-W319 HydrophobicContact CE-CZ3 4.01Å; P316-W319 PolarHBondContact O-N 3.27Å; S317-W319 PolarHBondContact O-N 2.96Å; W319-I322 HydrophobicContact CE3-CG2 4.44Å; W319-I322 VanDerWaalsContact O-CG2 3.22Å; W319-I322 WeakPolarHBondContact O-CG2 3.43Å; W319-I323 WeakPolarHBondContact O-CD1 3.48Å; W319-I323 VanDerWaalsContact O-CG1 3.27Å; W319-I323 WeakPolarHBondContact O-CG1 3.34Å; W319-I323 PolarHBondContact O-N 3.39Å; W319-I323 VanDerWaalsContact O-N 3.15Å; W319-L366 HydrophobicContact CE3-CD2 4.11Å; W319-L366 HydrophobicContact CZ3-CD2 3.74Å; W319-I370 HydrophobicContact CB-CD1 4.11Å; W319-I370 HydrophobicContact CD2-CD1 3.87Å; W319-I370 HydrophobicContact CE3-CD1 3.45Å; W319-I370 VanDerWaalsContact CE3-CD1 3.45Å; W319-I370 HydrophobicContact CG-CD1 4.18Å; W319-I370 HydrophobicContact CZ3-CD1 4.08Å; W319-F381 AromaticContact CD1-CD2 3.66Å; W319-F381 HydrophobicContact CD2-CD2 4.13Å; W319-F381 AromaticContact CD2-CE2 3.91Å; W319-F381 HydrophobicContact CD2-CE2 3.91Å; W319-F381 AromaticContact CE2-CD2 3.72Å; W319-F381 AromaticContact CE2-CE2 3.68Å; W319-F381 HydrophobicContact CE3-CE2 4.43Å; W319-F381 HydrophobicContact CG-CD2 4.06Å; W319-F381 HydrophobicContact CG-CE2 4.21Å; W319-F381 HydrophobicContact CH2-CE2 4.46Å; W319-F381 HydrophobicContact CZ2-CD2 4.28Å; W319-F381 AromaticContact CZ2-CE2 3.98Å; W319-F381 HydrophobicContact CZ2-CE2 3.98Å; W319-F381 AromaticContact NE1-CD2 3.42Å; W319-F381 AromaticContact NE1-CE2 3.9Å; W319-M491 HydrophobicContact CH2-CG 4.5Å; W319-M491 HydrophobicContact CZ2-CG 3.53Å; W319-M491 HydrophobicContact CZ2-SD 4.38Å; W319-L494 HydrophobicContact CH2-CB 4.36Å; W319-L494 HydrophobicContact CH2-CD2 4.16Å; W319-L494 HydrophobicContact CH2-CG 4.21Å; W319-L494 HydrophobicContact CZ3-CD2 3.94Å; W319-L494 HydrophobicContact CZ3-CG 4.14Å; W319-Q495 HydrophobicContact CH2-CB 4.38Å; W319-Q495 HydrophobicContact CH2-CG 3.37Å; W319-Q495 HydrophobicContact CZ2-CG 3.42Å; W319-Q495 VanDerWaalsContact CZ2-CG 3.42Å
320	R	93.3	Very high	92.3	Very high	87 Å²	87	40.5 Å²	40.5	33%	0.328	22%	0.223	S	C	.	.	H	α-helix	trans	-65	-43.7	174.6	-173.6	-172.8	64.9	165.8	-9	110.7	S317 I323 H324 E376	S317-R320 PolarHBondContact O-N 2.94Å; R320-I323 PolarHBondContact O-N 3.24Å; R320-H324 PolarHBondContact O-CD2 3.45Å; R320-H324 VanDerWaalsContact O-CD2 3.24Å; R320-H324 PolarHBondContact O-N 3.43Å; R320-E376 WeakPolarHBondContact CD-OE2 3.41Å; R320-E376 VanDerWaalsContact CZ-CD 3.49Å; R320-E376 IonicContact CZ-OE1 2.75Å; R320-E376 IonicContact CZ-OE2 3.69Å; R320-E376 IonicContact NE-OE1 2.77Å; R320-E376 IonicContact NE-OE2 3.98Å; R320-E376 IonicContact NH1-OE1 3.4Å; R320-E376 PolarHBondContact NH1-OE1 3.4Å; R320-E376 IonicContact NH1-OE2 3.34Å; R320-E376 PolarHBondContact NH1-OE2 3.27Å; R320-E376 IonicContact NH2-OE1 3.43Å; R320-E376 PolarHBondContact NH2-OE1 2.89Å; R320-E376 VanDerWaalsContact NH2-OE1 3.09Å
321	I	94.8	Very high	92.7	Very high	55 Å²	55	37 Å²	37	28%	0.282	21%	0.211	S	C	.	.	H	α-helix	trans	-63.5	-44.2	-179.4	-64.1	164.1	0	0	0	110.6	I305 S317 D318 I323 H324 T325	I305-I321 HydrophobicContact CD1-CB 3.96Å; I305-I321 HydrophobicContact CD1-CG2 3.49Å; I305-I321 VanDerWaalsContact CD1-CG2 3.49Å; S317-I321 WeakPolarHBondContact O-CD1 3.28Å; S317-I321 VanDerWaalsContact O-CG1 3.24Å; S317-I321 WeakPolarHBondContact O-CG1 3.38Å; S317-I321 PolarHBondContact O-N 3.28Å; S317-I321 VanDerWaalsContact O-N 3.07Å; D318-I321 PolarHBondContact O-N 2.97Å; I321-I323 PolarHBondContact O-N 2.89Å; I321-H324 PolarHBondContact O-N 3.22Å; I321-T325 VanDerWaalsContact O-CB 3.22Å; I321-T325 WeakPolarHBondContact O-CB 3.32Å; I321-T325 PolarHBondContact O-N 2.92Å; I321-T325 PolarHBondContact O-OG1 3.34Å
322	I	95.8	Very high	93.2	Very high	0 Å²	0	32.4 Å²	32.4	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-65.5	-38.9	179.5	-164	64.1	0	0	0	111.4	T302 I305 M309 D318 W319 T325 L326 L366 L498	T302-I322 HydrophobicContact CG2-CD1 4.39Å; I305-I322 HydrophobicContact CG2-CB 4.28Å; I305-I322 HydrophobicContact CG2-CD1 4.33Å; M309-I322 HydrophobicContact CE-CG2 4.12Å; D318-I322 WeakPolarHBondContact O-CB 3.33Å; D318-I322 WeakPolarHBondContact O-CG2 3.41Å; D318-I322 PolarHBondContact O-N 3.07Å; W319-I322 HydrophobicContact CE3-CG2 4.44Å; W319-I322 VanDerWaalsContact O-CG2 3.22Å; W319-I322 WeakPolarHBondContact O-CG2 3.43Å; I322-T325 WeakPolarHBondContact O-CB 3.15Å; I322-T325 PolarHBondContact O-N 3.15Å; I322-L326 HydrophobicContact CG1-CD1 4.27Å; I322-L326 HydrophobicContact CG1-CG 4.39Å; I322-L326 VanDerWaalsContact O-CG 3.25Å; I322-L326 WeakPolarHBondContact O-CG 3.44Å; I322-L326 PolarHBondContact O-N 3.36Å; I322-L366 HydrophobicContact CG2-CD1 4.08Å; I322-L498 HydrophobicContact CG1-CD1 4.35Å
323	I	95.8	Very high	93.7	Very high	13 Å²	13	28.9 Å²	28.9	7%	0.067	16%	0.158	C	C	.	.	H	α-helix	trans	-61.4	-50.4	175.9	-70.3	166.7	0	0	0	110.8	W319 R320 I321 T325 L326 D327 L366 I367 I370 T372	W319-I323 WeakPolarHBondContact O-CD1 3.48Å; W319-I323 VanDerWaalsContact O-CG1 3.27Å; W319-I323 WeakPolarHBondContact O-CG1 3.34Å; W319-I323 PolarHBondContact O-N 3.39Å; W319-I323 VanDerWaalsContact O-N 3.15Å; R320-I323 PolarHBondContact O-N 3.24Å; I321-I323 PolarHBondContact O-N 2.89Å; I323-T325 VanDerWaalsContact C-N 3.25Å; I323-T325 PolarHBondContact O-N 3.03Å; I323-L326 PolarHBondContact O-N 2.96Å; I323-D327 PolarHBondContact O-N 2.61Å; I323-L366 HydrophobicContact CD1-CB 3.98Å; I323-L366 HydrophobicContact CG1-CB 3.73Å; I323-L366 HydrophobicContact CG1-CD1 3.98Å; I323-I367 HydrophobicContact CD1-CG1 4.45Å; I323-I367 HydrophobicContact CG2-CD1 4Å; I323-I367 HydrophobicContact CG2-CG1 3.73Å; I323-I370 HydrophobicContact CD1-CD1 4.32Å; I323-T372 HydrophobicContact CD1-CG2 3.56Å
324	H	95.7	Very high	94.1	Very high	85 Å²	85	30.4 Å²	30.4	39%	0.394	17%	0.165	S	C	.	.	H	α-helix	trans	-62.4	-34.9	176.7	-72.3	-48.6	0	0	0	112.6	R320 I321 A328	R320-H324 PolarHBondContact O-CD2 3.45Å; R320-H324 VanDerWaalsContact O-CD2 3.24Å; R320-H324 PolarHBondContact O-N 3.43Å; I321-H324 PolarHBondContact O-N 3.22Å; H324-A328 VanDerWaalsContact O-CB 3.27Å; H324-A328 WeakPolarHBondContact O-CB 3.3Å; H324-A328 PolarHBondContact O-N 3.26Å
325	T	97.1	Very high	94.6	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	17%	0.167	C	C	.	.	H	α-helix	trans	-66.3	-46.2	177.7	-61.6	0	0	0	0	111.2	V299 G300 I321 I322 I323 A328 M329	V299-T325 HydrophobicContact CG1-CG2 4.17Å; G300-T325 PolarHBondContact N-OG1 3.09Å; I321-T325 VanDerWaalsContact O-CB 3.22Å; I321-T325 WeakPolarHBondContact O-CB 3.32Å; I321-T325 PolarHBondContact O-N 2.92Å; I321-T325 PolarHBondContact O-OG1 3.34Å; I322-T325 WeakPolarHBondContact O-CB 3.15Å; I322-T325 PolarHBondContact O-N 3.15Å; I323-T325 VanDerWaalsContact C-N 3.25Å; I323-T325 PolarHBondContact O-N 3.03Å; T325-A328 PolarHBondContact O-N 3.32Å; T325-M329 HydrophobicContact CG2-CE 3.54Å; T325-M329 HydrophobicContact CG2-SD 4.11Å; T325-M329 WeakPolarHBondContact O-CB 3.49Å; T325-M329 VanDerWaalsContact O-CG 3.25Å; T325-M329 WeakPolarHBondContact O-CG 3.43Å; T325-M329 PolarHBondContact O-N 3.28Å
326	L	97.1	Very high	94.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	15%	0.151	C	C	.	.	H	α-helix	trans	-64.4	-41.2	176.7	-66.6	170.4	0	0	0	111.4	I322 I323 M329 E330 I359 V362 K363 L366 I505	I322-L326 HydrophobicContact CG1-CD1 4.27Å; I322-L326 HydrophobicContact CG1-CG 4.39Å; I322-L326 VanDerWaalsContact O-CG 3.25Å; I322-L326 WeakPolarHBondContact O-CG 3.44Å; I322-L326 PolarHBondContact O-N 3.36Å; I323-L326 PolarHBondContact O-N 2.96Å; L326-M329 PolarHBondContact O-N 3.41Å; L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 PolarHBondContact O-N 3.01Å; L326-I359 HydrophobicContact CB-CG2 4.12Å; L326-I359 HydrophobicContact CD2-CD1 4.11Å; L326-I359 HydrophobicContact CD2-CG2 3.98Å; L326-V362 HydrophobicContact CD1-CB 4.48Å; L326-V362 HydrophobicContact CD1-CG1 3.82Å; L326-K363 HydrophobicContact CB-CB 4.18Å; L326-K363 HydrophobicContact CB-CG 4.46Å; L326-L366 HydrophobicContact CD1-CD1 3.7Å; L326-I505 HydrophobicContact CD2-CG1 4.11Å; L326-I505 HydrophobicContact CD2-CG2 4.3Å
327	D	96.6	Very high	95.1	Very high	49 Å²	49	32.8 Å²	32.8	26%	0.262	17%	0.168	S	C	.	.	H	α-helix	trans	-59.8	-45.8	173.6	-172	66.9	0	0	0	112	R298 I323 E330 A331 K363	R298-D327 IonicContact CZ-OD2 2.79Å; R298-D327 IonicContact NH1-OD2 2.64Å; R298-D327 PolarHBondContact NH1-OD2 2.77Å; R298-D327 IonicContact NH2-OD2 3.5Å; I323-D327 PolarHBondContact O-N 2.61Å; D327-E330 PolarHBondContact O-N 2.87Å; D327-A331 WeakPolarHBondContact O-CB 3.43Å; D327-A331 PolarHBondContact O-N 2.99Å; D327-K363 HydrophobicContact CB-CD 3.82Å; D327-K363 IonicContact OD1-NZ 3.77Å; D327-K363 PolarHBondContact OD1-NZ 3.41Å
328	A	97.4	Very high	95.3	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	18%	0.183	C	C	.	.	H	α-helix	trans	-64.3	-40.9	177.5	0	0	0	0	0	112.1	V295 R298 V299 H324 T325 A331 L332	V295-A328 HydrophobicContact CG1-CB 3.73Å; V295-A328 VanDerWaalsContact CG1-O 3.27Å; V295-A328 WeakPolarHBondContact CG1-O 3.35Å; R298-A328 HydrophobicContact CB-CB 3.94Å; V299-A328 HydrophobicContact CG2-CB 3.68Å; H324-A328 VanDerWaalsContact O-CB 3.27Å; H324-A328 WeakPolarHBondContact O-CB 3.3Å; H324-A328 PolarHBondContact O-N 3.26Å; T325-A328 PolarHBondContact O-N 3.32Å; A328-A331 PolarHBondContact O-N 2.76Å; A328-L332 WeakPolarHBondContact O-CB 3.32Å; A328-L332 WeakPolarHBondContact O-CG 3.21Å; A328-L332 PolarHBondContact O-N 3.38Å
329	M	95.8	Very high	95.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.005	19%	0.193	C	C	.	.	H	α-helix	trans	-63.1	-46.7	176.5	-74.6	175.1	177.7	0	0	112	V299 T302 T325 L326 A331 L332 I333 A508	V299-M329 HydrophobicContact CG1-CE 4.44Å; T302-M329 HydrophobicContact CG2-CE 4.18Å; T302-M329 WeakPolarHBondContact OG1-CE 3.46Å; T325-M329 HydrophobicContact CG2-CE 3.54Å; T325-M329 HydrophobicContact CG2-SD 4.11Å; T325-M329 WeakPolarHBondContact O-CB 3.49Å; T325-M329 VanDerWaalsContact O-CG 3.25Å; T325-M329 WeakPolarHBondContact O-CG 3.43Å; T325-M329 PolarHBondContact O-N 3.28Å; L326-M329 PolarHBondContact O-N 3.41Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 3.13Å; M329-L332 PolarHBondContact O-N 2.78Å; M329-I333 WeakPolarHBondContact O-CD1 3.26Å; M329-I333 VanDerWaalsContact O-CG1 3.28Å; M329-I333 WeakPolarHBondContact O-CG1 3.2Å; M329-I333 PolarHBondContact O-N 2.83Å; M329-A508 HydrophobicContact CB-CB 4.29Å; M329-A508 HydrophobicContact CG-CB 4.3Å; M329-A508 HydrophobicContact SD-CB 3.68Å
330	E	95.3	Very high	95.2	Very high	58 Å²	58	40.4 Å²	40.4	27%	0.271	21%	0.209	S	C	.	.	H	α-helix	trans	-60.6	-44.2	176.8	-174.6	179.5	-170.8	0	0	111.6	L326 D327 I333 T334 I359 K363	L326-E330 WeakPolarHBondContact O-CB 3.35Å; L326-E330 PolarHBondContact O-N 3.01Å; D327-E330 PolarHBondContact O-N 2.87Å; E330-I333 PolarHBondContact O-N 2.96Å; E330-T334 WeakPolarHBondContact O-CB 3.04Å; E330-T334 PolarHBondContact O-N 3.39Å; E330-T334 PolarHBondContact O-OG1 3.5Å; E330-I359 HydrophobicContact CB-CG2 4.26Å; E330-K363 VanDerWaalsContact OE2-CE 3.23Å; E330-K363 WeakPolarHBondContact OE2-CE 3.35Å; E330-K363 IonicContact OE2-NZ 2.83Å; E330-K363 PolarHBondContact OE2-NZ 2.91Å
331	A	96.3	Very high	95	Very high	28 Å²	28	44.1 Å²	44.1	23%	0.231	23%	0.23	C	C	.	.	H	α-helix	trans	-61.8	-45	174.7	0	0	0	0	0	111.8	V295 D327 A328 M329 I333 T334 M335	V295-A331 HydrophobicContact CG1-CB 4.05Å; D327-A331 WeakPolarHBondContact O-CB 3.43Å; D327-A331 PolarHBondContact O-N 2.99Å; A328-A331 PolarHBondContact O-N 2.76Å; M329-A331 VanDerWaalsContact C-N 3.34Å; M329-A331 PolarHBondContact O-N 3.13Å; A331-I333 PolarHBondContact O-N 3.08Å; A331-T334 PolarHBondContact O-N 3.06Å; A331-M335 WeakPolarHBondContact O-CB 3.45Å; A331-M335 VanDerWaalsContact O-CG 3.25Å; A331-M335 WeakPolarHBondContact O-CG 3.26Å; A331-M335 PolarHBondContact O-N 3.36Å
332	L	96.6	Very high	94.9	Very high	0 Å²	0	47 Å²	47	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-59.4	-47.1	177.3	-75.8	165.9	0	0	0	112	I292 V295 L296 V299 A328 M329 T334 M335 C336 F511 A512	I292-L332 HydrophobicContact CB-CD2 4.23Å; I292-L332 HydrophobicContact CG1-CD2 4.14Å; I292-L332 HydrophobicContact CG2-CD2 3.74Å; V295-L332 HydrophobicContact CB-CD2 4.24Å; V295-L332 HydrophobicContact CB-CG 4.38Å; V295-L332 HydrophobicContact CG1-CD1 4.32Å; V295-L332 HydrophobicContact CG1-CD2 4.14Å; V295-L332 HydrophobicContact CG1-CG 3.73Å; L296-L332 HydrophobicContact CD2-CD1 3.72Å; L296-L332 HydrophobicContact CD2-CD2 4.33Å; L296-L332 HydrophobicContact CG-CD1 4.34Å; L296-L332 HydrophobicContact CG-CD2 4.19Å; V299-L332 HydrophobicContact CG2-CD1 4.18Å; A328-L332 WeakPolarHBondContact O-CB 3.32Å; A328-L332 WeakPolarHBondContact O-CG 3.21Å; A328-L332 PolarHBondContact O-N 3.38Å; M329-L332 PolarHBondContact O-N 2.78Å; L332-T334 VanDerWaalsContact C-N 3.29Å; L332-T334 PolarHBondContact O-N 2.84Å; L332-M335 HydrophobicContact CD2-CE 3.78Å; L332-M335 HydrophobicContact CG-CE 4.26Å; L332-M335 PolarHBondContact O-N 2.99Å; L332-C336 VanDerWaalsContact O-CB 3.31Å; L332-C336 WeakPolarHBondContact O-CB 3.37Å; L332-C336 PolarHBondContact O-N 2.85Å; L332-C336 PolarHBondContact O-SG 3.35Å; L332-F511 HydrophobicContact CB-CE1 4.18Å; L332-A512 HydrophobicContact CD1-CB 4.07Å
333	I	95	Very high	94.8	Very high	6 Å²	6	47 Å²	47	3%	0.031	24%	0.241	C	C	.	.	H	α-helix	trans	-60	-44.9	177.9	-67.4	158.6	0	0	0	109.8	M329 E330 A331 C336 K337 L349 F354 P356 F511	M329-I333 WeakPolarHBondContact O-CD1 3.26Å; M329-I333 VanDerWaalsContact O-CG1 3.28Å; M329-I333 WeakPolarHBondContact O-CG1 3.2Å; M329-I333 PolarHBondContact O-N 2.83Å; E330-I333 PolarHBondContact O-N 2.96Å; A331-I333 PolarHBondContact O-N 3.08Å; I333-C336 PolarHBondContact O-N 2.72Å; I333-K337 VanDerWaalsContact O-CB 3.25Å; I333-K337 WeakPolarHBondContact O-CB 3.15Å; I333-K337 PolarHBondContact O-N 3.5Å; I333-L349 HydrophobicContact CD1-CD2 4.12Å; I333-L349 HydrophobicContact CG1-CD2 3.88Å; I333-L349 HydrophobicContact CG2-CD2 4.47Å; I333-F354 HydrophobicContact CD1-CE1 3.64Å; I333-F354 HydrophobicContact CD1-CZ 3.79Å; I333-P356 HydrophobicContact CG2-CB 4.36Å; I333-P356 HydrophobicContact CG2-CG 4.25Å; I333-F511 HydrophobicContact CB-CE1 4.48Å; I333-F511 HydrophobicContact CG1-CD1 3.86Å; I333-F511 HydrophobicContact CG1-CE1 3.68Å; I333-F511 HydrophobicContact CG1-CZ 4.45Å
334	T	94.9	Very high	94.7	Very high	91 Å²	91	47 Å²	47	56%	0.558	24%	0.24	S	C	*	.	H	α-helix	trans	-63.9	-44.9	180	-57.3	0	0	0	0	112.3	E330 A331 L332 P338	E330-T334 WeakPolarHBondContact O-CB 3.04Å; E330-T334 PolarHBondContact O-N 3.39Å; E330-T334 PolarHBondContact O-OG1 3.5Å; A331-T334 PolarHBondContact O-N 3.06Å; L332-T334 VanDerWaalsContact C-N 3.29Å; L332-T334 PolarHBondContact O-N 2.84Å; T334-P338 WeakPolarHBondContact O-CD 3.27Å
335	M	95.4	Very high	94.5	Very high	41 Å²	41	43.1 Å²	43.1	20%	0.202	22%	0.222	C	C	.	.	H	α-helix	trans	-65.5	-38.6	178.4	-72.1	-175.5	-58	0	0	112.4	L288 E291 I292 V295 A331 L332 P338	L288-M335 HydrophobicContact CD1-CB 4.05Å; E291-M335 HydrophobicContact CB-SD 4.27Å; I292-M335 HydrophobicContact CG1-CE 4.07Å; V295-M335 HydrophobicContact CB-CE 3.82Å; V295-M335 HydrophobicContact CG1-CE 4.14Å; V295-M335 HydrophobicContact CG2-CE 3.5Å; V295-M335 HydrophobicContact CG2-SD 4.12Å; A331-M335 WeakPolarHBondContact O-CB 3.45Å; A331-M335 VanDerWaalsContact O-CG 3.25Å; A331-M335 WeakPolarHBondContact O-CG 3.26Å; A331-M335 PolarHBondContact O-N 3.36Å; L332-M335 HydrophobicContact CD2-CE 3.78Å; L332-M335 HydrophobicContact CG-CE 4.26Å; L332-M335 PolarHBondContact O-N 2.99Å; M335-P338 WeakPolarHBondContact O-CD 3.41Å
336	C	95.5	Very high	94.2	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	22%	0.223	C	C	.	.	H	α-helix	trans	-83.9	-24.5	-177.1	-66.3	0	0	0	0	113.4	I292 L332 I333 P338 Y339 L343 V346 F511	I292-C336 WeakPolarHBondContact CD1-SG 3.34Å; L332-C336 VanDerWaalsContact O-CB 3.31Å; L332-C336 WeakPolarHBondContact O-CB 3.37Å; L332-C336 PolarHBondContact O-N 2.85Å; L332-C336 PolarHBondContact O-SG 3.35Å; I333-C336 PolarHBondContact O-N 2.72Å; C336-P338 VanDerWaalsContact C-CD 3.47Å; C336-Y339 CarbonylContact O-C 3.57Å; C336-Y339 PolarHBondContact O-N 3.06Å; C336-L343 HydrophobicContact CB-CD1 3.94Å; C336-V346 HydrophobicContact CB-CG2 3.57Å; C336-F511 HydrophobicContact CB-CZ 3.94Å
337	K	93	Very high	93.8	Very high	122 Å²	122	46.3 Å²	46.3	53%	0.53	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	-52.1	-43.9	-175.9	-176.3	178.9	-176.3	-178.8	0	114.5	I333 Y339 C340 F350	I333-K337 VanDerWaalsContact O-CB 3.25Å; I333-K337 WeakPolarHBondContact O-CB 3.15Å; I333-K337 PolarHBondContact O-N 3.5Å; K337-Y339 PolarHBondContact O-N 2.77Å; K337-Y339 VanDerWaalsContact O-N 3.13Å; K337-C340 PolarHBondContact O-N 3.05Å; K337-F350 HydrophobicContact CD-CZ 4.31Å; K337-F350 HydrophobicContact CG-CE2 4.35Å; K337-F350 HydrophobicContact CG-CZ 4.35Å
338	P	93.9	Very high	93.4	Very high	99 Å²	99	47.5 Å²	47.5	64%	0.643	24%	0.241	S	C	*	.	G	3₁₀ helix	trans	-62.9	-17.8	177.8	-23	35	0	0	0	114.2	T334 M335 C336	T334-P338 WeakPolarHBondContact O-CD 3.27Å; M335-P338 WeakPolarHBondContact O-CD 3.41Å; C336-P338 VanDerWaalsContact C-CD 3.47Å
339	Y	93.9	Very high	92.9	Very high	64 Å²	64	48 Å²	48	25%	0.251	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-109.1	26	-176.3	-53.8	-73.9	0	0	0	112	F279 L288 C336 K337 E341 K342 L343	F279-Y339 HydrophobicContact CE1-CD1 4.32Å; F279-Y339 HydrophobicContact CE1-CG 4.11Å; F279-Y339 AromaticContact CE2-CD1 3.67Å; F279-Y339 HydrophobicContact CE2-CD1 3.67Å; F279-Y339 HydrophobicContact CE2-CE1 4.01Å; F279-Y339 HydrophobicContact CE2-CG 4.28Å; F279-Y339 AromaticContact CZ-CD1 3.32Å; F279-Y339 HydrophobicContact CZ-CD1 3.32Å; F279-Y339 HydrophobicContact CZ-CD2 4.09Å; F279-Y339 AromaticContact CZ-CE1 3.71Å; F279-Y339 HydrophobicContact CZ-CE1 3.71Å; F279-Y339 HydrophobicContact CZ-CE2 4.42Å; F279-Y339 AromaticContact CZ-CG 3.52Å; F279-Y339 HydrophobicContact CZ-CG 3.52Å; L288-Y339 HydrophobicContact CD1-CE2 4.14Å; L288-Y339 HydrophobicContact CD2-CD2 3.49Å; L288-Y339 VanDerWaalsContact CD2-CD2 3.49Å; L288-Y339 HydrophobicContact CD2-CE2 3.65Å; L288-Y339 HydrophobicContact CD2-CG 4.28Å; L288-Y339 HydrophobicContact CG-CE2 4.39Å; C336-Y339 CarbonylContact O-C 3.57Å; C336-Y339 PolarHBondContact O-N 3.06Å; K337-Y339 PolarHBondContact O-N 2.77Å; K337-Y339 VanDerWaalsContact O-N 3.13Å; Y339-E341 PolarHBondContact O-N 2.66Å; Y339-E341 VanDerWaalsContact O-N 3.13Å; Y339-K342 PolarHBondContact O-N 2.99Å; Y339-L343 PolarHBondContact O-N 3.09Å
340	C	90.5	Very high	92.4	Very high	49 Å²	49	51.4 Å²	51.4	33%	0.331	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-31.8	-176.6	63.7	0	0	0	0	113.5	K337 K342 V346 Q347	K337-C340 PolarHBondContact O-N 3.05Å; C340-K342 VanDerWaalsContact C-N 3.32Å; C340-K342 PolarHBondContact O-N 3.32Å; C340-V346 HydrophobicContact CB-CB 4.18Å; C340-V346 HydrophobicContact CB-CG1 3.67Å; C340-Q347 VanDerWaalsContact O-CD 3.26Å; C340-Q347 WeakPolarHBondContact O-CG 3.41Å; C340-Q347 PolarHBondContact O-NE2 3.32Å
341	E	89.6	Confident	91.9	Very high	166 Å²	166	55.3 Å²	55.3	78%	0.776	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.4	-25.6	176.3	-65.5	-173.4	171.2	0	0	113.9	Y339	Y339-E341 PolarHBondContact O-N 2.66Å; Y339-E341 VanDerWaalsContact O-N 3.13Å
342	K	91.3	Very high	91.2	Very high	115 Å²	115	56.4 Å²	56.4	50%	0.5	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.6	-29.1	-178.4	-58.9	-57.5	-178.1	-174	0	112.9	A276 F279 Y339 C340	A276-K342 WeakPolarHBondContact CA-O 3.4Å; F279-K342 HydrophobicContact CB-CB 4.1Å; F279-K342 HydrophobicContact CD1-CB 4.3Å; F279-K342 HydrophobicContact CD2-CB 4.06Å; F279-K342 HydrophobicContact CD2-CG 4.1Å; F279-K342 HydrophobicContact CG-CB 3.88Å; F279-K342 HydrophobicContact CG-CG 4.39Å; Y339-K342 PolarHBondContact O-N 2.99Å; C340-K342 VanDerWaalsContact C-N 3.32Å; C340-K342 PolarHBondContact O-N 3.32Å
343	L	93.6	Very high	90.5	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.331	C	S	.	.			trans	-107	89.4	180	-63	-178.2	0	0	0	109.4	A276 F279 F280 L288 C336 Y339 P345 V346 I515	A276-L343 HydrophobicContact CB-CD2 4.01Å; F279-L343 HydrophobicContact CD1-CD2 3.81Å; F279-L343 HydrophobicContact CD1-CG 4.15Å; F279-L343 HydrophobicContact CE1-CD1 4.2Å; F279-L343 HydrophobicContact CE1-CD2 4.21Å; F279-L343 HydrophobicContact CE1-CG 4.15Å; F280-L343 HydrophobicContact CD2-CD2 4.45Å; F280-L343 HydrophobicContact CE1-CD1 4.48Å; F280-L343 HydrophobicContact CE1-CD2 4.21Å; F280-L343 HydrophobicContact CE2-CD2 3.68Å; F280-L343 HydrophobicContact CZ-CD1 4.16Å; F280-L343 HydrophobicContact CZ-CD2 3.54Å; L288-L343 HydrophobicContact CD2-CD1 4.21Å; C336-L343 HydrophobicContact CB-CD1 3.94Å; Y339-L343 PolarHBondContact O-N 3.09Å; L343-P345 VanDerWaalsContact C-N 3.28Å; L343-P345 VanDerWaalsContact O-N 3.15Å; L343-V346 HydrophobicContact CB-CG2 3.82Å; L343-V346 VanDerWaalsContact O-CB 3.27Å; L343-V346 WeakPolarHBondContact O-CB 3.46Å; L343-V346 WeakPolarHBondContact O-CG2 3.24Å; L343-V346 PolarHBondContact O-N 3.12Å; L343-I515 HydrophobicContact CD1-CD1 4.48Å
344	Y	94	Very high	90.2	Very high	13 Å²	13	66 Å²	66	5%	0.051	33%	0.331	C	S	.	.	H	α-helix	trans	-52.3	-34.3	-178	92.1	-102.5	0	0	0	115.1	W259 R272 R273 V346 Q347 E348 E514 L518	W259-Y344 WeakPolarHBondContact CZ2-OH 3.32Å; R272-Y344 HydrophobicContact CB-CD1 3.97Å; R272-Y344 HydrophobicContact CB-CG 4.03Å; R273-Y344 HydrophobicContact CG-CE1 3.87Å; Y344-V346 PolarHBondContact O-N 3.33Å; Y344-V346 VanDerWaalsContact O-N 3.16Å; Y344-Q347 WeakPolarHBondContact O-CB 3.48Å; Y344-Q347 PolarHBondContact O-N 3.36Å; Y344-E348 HydrophobicContact CD2-CG 4.26Å; Y344-E348 WeakPolarHBondContact CD2-OE1 3.39Å; Y344-E348 PolarHBondContact O-N 3.37Å; Y344-E348 VanDerWaalsContact O-N 3.16Å; Y344-E514 WeakPolarHBondContact CE2-OE2 3.31Å; Y344-E514 PolarHBondContact OH-OE2 3.5Å; Y344-L518 HydrophobicContact CD1-CD1 4.35Å; Y344-L518 HydrophobicContact CE1-CD1 3.88Å; Y344-L518 HydrophobicContact CE1-CD2 4.26Å
345	P	91.6	Very high	89.9	Confident	4 Å²	4	65.5 Å²	65.5	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-62.3	-26.1	178.9	-24.7	36.6	0	0	0	112.7	L343 L349 F511 E514 I515 L518	L343-P345 VanDerWaalsContact C-N 3.28Å; L343-P345 VanDerWaalsContact O-N 3.15Å; P345-L349 WeakPolarHBondContact O-CB 3.34Å; P345-L349 PolarHBondContact O-N 2.57Å; P345-F511 HydrophobicContact CB-CD2 3.81Å; P345-F511 HydrophobicContact CB-CE2 4Å; P345-F511 WeakPolarHBondContact O-CD2 3.27Å; P345-E514 HydrophobicContact CB-CB 4.23Å; P345-E514 HydrophobicContact CG-CB 4.04Å; P345-I515 HydrophobicContact CB-CD1 4.12Å; P345-I515 HydrophobicContact CB-CG1 4.36Å; P345-I515 HydrophobicContact CG-CD1 4Å; P345-L518 HydrophobicContact CG-CD1 3.69Å
346	V	90.7	Very high	89.5	Confident	2 Å²	2	65.4 Å²	65.4	1%	0.012	33%	0.328	C	S	.	.	H	α-helix	trans	-65.9	-44.8	175.8	-177.8	0	0	0	0	110.1	C336 C340 L343 Y344 E348 L349 F350 F511	C336-V346 HydrophobicContact CB-CG2 3.57Å; C340-V346 HydrophobicContact CB-CB 4.18Å; C340-V346 HydrophobicContact CB-CG1 3.67Å; L343-V346 HydrophobicContact CB-CG2 3.82Å; L343-V346 VanDerWaalsContact O-CB 3.27Å; L343-V346 WeakPolarHBondContact O-CB 3.46Å; L343-V346 WeakPolarHBondContact O-CG2 3.24Å; L343-V346 PolarHBondContact O-N 3.12Å; Y344-V346 PolarHBondContact O-N 3.33Å; Y344-V346 VanDerWaalsContact O-N 3.16Å; V346-E348 VanDerWaalsContact C-N 3.35Å; V346-L349 PolarHBondContact O-N 2.81Å; V346-F350 HydrophobicContact CG1-CD2 3.96Å; V346-F350 HydrophobicContact CG1-CE2 3.62Å; V346-F350 WeakPolarHBondContact O-CD2 3.26Å; V346-F350 PolarHBondContact O-N 3.13Å; V346-F511 HydrophobicContact CB-CE2 4.36Å; V346-F511 HydrophobicContact CG2-CE2 3.74Å; V346-F511 HydrophobicContact CG2-CZ 4.08Å
347	Q	88.7	Confident	89.2	Confident	65 Å²	65	68 Å²	68	30%	0.304	35%	0.35	S	S	.	.	H	α-helix	trans	-61.8	-46.3	178.1	-58.7	171.5	-12	0	0	110.6	C340 Y344 L349 F350 L351	C340-Q347 VanDerWaalsContact O-CD 3.26Å; C340-Q347 WeakPolarHBondContact O-CG 3.41Å; C340-Q347 PolarHBondContact O-NE2 3.32Å; Y344-Q347 WeakPolarHBondContact O-CB 3.48Å; Y344-Q347 PolarHBondContact O-N 3.36Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 3.39Å; Q347-F350 PolarHBondContact O-N 3.44Å; Q347-L351 WeakPolarHBondContact O-CB 3.33Å; Q347-L351 VanDerWaalsContact O-CG 3.25Å; Q347-L351 WeakPolarHBondContact O-CG 3.21Å; Q347-L351 PolarHBondContact O-N 2.83Å
348	E	87.9	Confident	89.2	Confident	73 Å²	73	64.1 Å²	64.1	34%	0.341	33%	0.334	S	S	.	.	H	α-helix	trans	-64.3	-37.5	-178.1	-67.8	-172.8	178.1	0	0	112.3	R272 Y344 V346 L351 A352	R272-E348 IonicContact CZ-OE1 3.69Å; R272-E348 IonicContact NH1-OE1 3.51Å; R272-E348 PolarHBondContact NH1-OE1 3.16Å; R272-E348 IonicContact NH2-OE1 3.03Å; Y344-E348 HydrophobicContact CD2-CG 4.26Å; Y344-E348 WeakPolarHBondContact CD2-OE1 3.39Å; Y344-E348 PolarHBondContact O-N 3.37Å; Y344-E348 VanDerWaalsContact O-N 3.16Å; V346-E348 VanDerWaalsContact C-N 3.35Å; E348-L351 PolarHBondContact O-N 3.39Å; E348-A352 WeakPolarHBondContact O-CB 3.29Å; E348-A352 PolarHBondContact O-N 2.87Å
349	L	87.5	Confident	89.2	Confident	10 Å²	10	59.4 Å²	59.4	5%	0.052	30%	0.303	C	S	.	.	H	α-helix	trans	-58.6	-49.6	174.4	-172.9	65.6	0	0	0	111.2	I333 P345 V346 Q347 A352 F354 Q507 F511	I333-L349 HydrophobicContact CD1-CD2 4.12Å; I333-L349 HydrophobicContact CG1-CD2 3.88Å; I333-L349 HydrophobicContact CG2-CD2 4.47Å; P345-L349 WeakPolarHBondContact O-CB 3.34Å; P345-L349 PolarHBondContact O-N 2.57Å; V346-L349 PolarHBondContact O-N 2.81Å; Q347-L349 VanDerWaalsContact C-N 3.32Å; Q347-L349 PolarHBondContact O-N 3.39Å; L349-A352 WeakPolarHBondContact O-CB 3.36Å; L349-A352 PolarHBondContact O-N 3.17Å; L349-F354 HydrophobicContact CD1-CB 3.71Å; L349-F354 HydrophobicContact CD1-CD1 3.72Å; L349-F354 HydrophobicContact CD1-CD2 3.91Å; L349-F354 HydrophobicContact CD1-CE1 4.28Å; L349-F354 HydrophobicContact CD1-CE2 4.46Å; L349-F354 HydrophobicContact CD1-CG 3.5Å; L349-F354 VanDerWaalsContact CD1-CG 3.5Å; L349-F354 HydrophobicContact CD2-CD1 3.7Å; L349-F354 HydrophobicContact CD2-CE1 3.88Å; L349-F354 HydrophobicContact CD2-CG 4.36Å; L349-F354 HydrophobicContact CG-CB 3.88Å; L349-F354 HydrophobicContact CG-CD1 3.54Å; L349-F354 HydrophobicContact CG-CE1 4.2Å; L349-F354 HydrophobicContact CG-CG 3.78Å; L349-F354 WeakPolarHBondContact O-CB 3.19Å; L349-F354 PolarHBondContact O-N 2.81Å; L349-Q507 HydrophobicContact CD1-CB 4.35Å; L349-F511 HydrophobicContact CB-CD2 4.28Å; L349-F511 HydrophobicContact CD1-CB 4.14Å; L349-F511 HydrophobicContact CD2-CB 4.24Å; L349-F511 HydrophobicContact CD2-CD1 4.3Å; L349-F511 HydrophobicContact CD2-CD2 4.02Å; L349-F511 HydrophobicContact CD2-CE2 4.49Å; L349-F511 HydrophobicContact CD2-CG 3.91Å
350	F	85.2	Confident	89.2	Confident	73 Å²	73	57 Å²	57	32%	0.32	30%	0.298	S	S	.	.	H	α-helix	trans	-71	-34.8	179.5	-69.5	-64.8	0	0	0	113.1	K337 V346 Q347 A352 K353 P356	K337-F350 HydrophobicContact CD-CZ 4.31Å; K337-F350 HydrophobicContact CG-CE2 4.35Å; K337-F350 HydrophobicContact CG-CZ 4.35Å; V346-F350 HydrophobicContact CG1-CD2 3.96Å; V346-F350 HydrophobicContact CG1-CE2 3.62Å; V346-F350 WeakPolarHBondContact O-CD2 3.26Å; V346-F350 PolarHBondContact O-N 3.13Å; Q347-F350 PolarHBondContact O-N 3.44Å; F350-A352 PolarHBondContact O-N 3.44Å; F350-K353 PolarHBondContact O-N 3.32Å; F350-K353 VanDerWaalsContact O-N 3.07Å; F350-P356 HydrophobicContact CE1-CG 3.82Å; F350-P356 HydrophobicContact CZ-CG 4.32Å
351	L	85.2	Confident	89.3	Confident	141 Å²	141	57 Å²	57	74%	0.738	30%	0.298	S	S	*	.	H	α-helix	trans	-62.9	-30.8	172.7	-73.3	171.1	0	0	0	112	Q347 E348 K353	Q347-L351 WeakPolarHBondContact O-CB 3.33Å; Q347-L351 VanDerWaalsContact O-CG 3.25Å; Q347-L351 WeakPolarHBondContact O-CG 3.21Å; Q347-L351 PolarHBondContact O-N 2.83Å; E348-L351 PolarHBondContact O-N 3.39Å; L351-K353 PolarHBondContact O-N 2.97Å; L351-K353 VanDerWaalsContact O-N 3.15Å
352	A	82.3	Confident	89.6	Confident	51 Å²	51	49.2 Å²	49.2	42%	0.421	26%	0.262	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75	10	174.4	0	0	0	0	0	114	E348 L349 F350 F354	E348-A352 WeakPolarHBondContact O-CB 3.29Å; E348-A352 PolarHBondContact O-N 2.87Å; L349-A352 WeakPolarHBondContact O-CB 3.36Å; L349-A352 PolarHBondContact O-N 3.17Å; F350-A352 PolarHBondContact O-N 3.44Å; A352-F354 PolarHBondContact O-N 3.43Å
353	K	81.3	Confident	89.8	Confident	197 Å²	197	45.4 Å²	45.4	86%	0.857	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.1	31	-177	-57.1	-178.9	178.9	-179.6	0	113.1	F350 L351 D355	F350-K353 PolarHBondContact O-N 3.32Å; F350-K353 VanDerWaalsContact O-N 3.07Å; L351-K353 PolarHBondContact O-N 2.97Å; L351-K353 VanDerWaalsContact O-N 3.15Å; K353-D355 PolarHBondContact O-N 2.86Å
354	F	88.7	Confident	89.8	Confident	9 Å²	9	48.2 Å²	48.2	4%	0.039	27%	0.266	C	S	.	.			trans	-69.3	129.1	173.7	174.4	-94.9	0	0	0	109.9	I333 L349 A352 P356 I359 S504 Q507 A508	I333-F354 HydrophobicContact CD1-CE1 3.64Å; I333-F354 HydrophobicContact CD1-CZ 3.79Å; L349-F354 HydrophobicContact CD1-CB 3.71Å; L349-F354 HydrophobicContact CD1-CD1 3.72Å; L349-F354 HydrophobicContact CD1-CD2 3.91Å; L349-F354 HydrophobicContact CD1-CE1 4.28Å; L349-F354 HydrophobicContact CD1-CE2 4.46Å; L349-F354 HydrophobicContact CD1-CG 3.5Å; L349-F354 VanDerWaalsContact CD1-CG 3.5Å; L349-F354 HydrophobicContact CD2-CD1 3.7Å; L349-F354 HydrophobicContact CD2-CE1 3.88Å; L349-F354 HydrophobicContact CD2-CG 4.36Å; L349-F354 HydrophobicContact CG-CB 3.88Å; L349-F354 HydrophobicContact CG-CD1 3.54Å; L349-F354 HydrophobicContact CG-CE1 4.2Å; L349-F354 HydrophobicContact CG-CG 3.78Å; L349-F354 WeakPolarHBondContact O-CB 3.19Å; L349-F354 PolarHBondContact O-N 2.81Å; A352-F354 PolarHBondContact O-N 3.43Å; F354-P356 HydrophobicContact CD1-CG 4.05Å; F354-P356 HydrophobicContact CE1-CB 4Å; F354-P356 HydrophobicContact CE1-CG 3.84Å; F354-P356 WeakPolarHBondContact O-CD 3.3Å; F354-I359 HydrophobicContact CE2-CD1 4.36Å; F354-I359 HydrophobicContact CE2-CG1 4.03Å; F354-I359 HydrophobicContact CZ-CD1 4.4Å; F354-I359 HydrophobicContact CZ-CG1 3.6Å; F354-S504 WeakPolarHBondContact CE2-O 3.48Å; F354-Q507 HydrophobicContact CD2-CB 3.98Å; F354-Q507 HydrophobicContact CE2-CB 4.48Å; F354-A508 HydrophobicContact CE2-CB 4.01Å; F354-A508 HydrophobicContact CZ-CB 4.02Å
355	D	88.8	Confident	89.8	Confident	81 Å²	81	51.2 Å²	51.2	43%	0.433	28%	0.277	S	S	.	.			trans	-101.6	109.3	172.7	179.5	8.3	0	0	0	110.1	K353 A357 I358	K353-D355 PolarHBondContact O-N 2.86Å; D355-A357 PolarHBondContact O-N 2.84Å; D355-A357 VanDerWaalsContact OD1-CB 3.3Å; D355-A357 WeakPolarHBondContact OD1-CB 3.31Å; D355-A357 PolarHBondContact OD1-N 3.44Å; D355-I358 HydrophobicContact CB-CD1 3.86Å; D355-I358 HydrophobicContact CB-CG1 4Å; D355-I358 WeakPolarHBondContact O-CB 3.37Å; D355-I358 PolarHBondContact O-N 3.01Å; D355-I358 VanDerWaalsContact O-N 3.16Å
356	P	85.9	Confident	90	Very high	40 Å²	40	51.1 Å²	51.1	26%	0.26	28%	0.276	S	S	.	.	H	α-helix	trans	-58.4	-26.5	177.7	-21.7	31.9	0	0	0	114.1	I333 F350 F354 I358 I359 G360	I333-P356 HydrophobicContact CG2-CB 4.36Å; I333-P356 HydrophobicContact CG2-CG 4.25Å; F350-P356 HydrophobicContact CE1-CG 3.82Å; F350-P356 HydrophobicContact CZ-CG 4.32Å; F354-P356 HydrophobicContact CD1-CG 4.05Å; F354-P356 HydrophobicContact CE1-CB 4Å; F354-P356 HydrophobicContact CE1-CG 3.84Å; F354-P356 WeakPolarHBondContact O-CD 3.3Å; P356-I358 PolarHBondContact O-N 3.3Å; P356-I359 PolarHBondContact O-N 3.28Å; P356-G360 PolarHBondContact O-N 3.4Å
357	A	90.8	Very high	90.2	Very high	55 Å²	55	54.5 Å²	54.5	46%	0.455	29%	0.293	S	S	.	.	H	α-helix	trans	-64.3	-24.9	-179.8	0	0	0	0	0	112.4	D355 G360 S361	D355-A357 PolarHBondContact O-N 2.84Å; D355-A357 VanDerWaalsContact OD1-CB 3.3Å; D355-A357 WeakPolarHBondContact OD1-CB 3.31Å; D355-A357 PolarHBondContact OD1-N 3.44Å; A357-G360 PolarHBondContact O-N 3.46Å; A357-S361 VanDerWaalsContact O-CB 3.32Å; A357-S361 WeakPolarHBondContact O-CB 3.39Å; A357-S361 PolarHBondContact O-N 3.3Å; A357-S361 PolarHBondContact O-OG 3.15Å
358	I	92.7	Very high	90.5	Very high	39 Å²	39	57.6 Å²	57.6	20%	0.2	31%	0.307	C	S	.	.	H	α-helix	trans	-62.5	-45.8	176	-63.6	174.8	0	0	0	110.4	D355 P356 S361 V362 Y501	D355-I358 HydrophobicContact CB-CD1 3.86Å; D355-I358 HydrophobicContact CB-CG1 4Å; D355-I358 WeakPolarHBondContact O-CB 3.37Å; D355-I358 PolarHBondContact O-N 3.01Å; D355-I358 VanDerWaalsContact O-N 3.16Å; P356-I358 PolarHBondContact O-N 3.3Å; I358-S361 PolarHBondContact O-N 2.97Å; I358-V362 HydrophobicContact CG2-CG2 4.32Å; I358-V362 VanDerWaalsContact O-CG2 3.32Å; I358-V362 WeakPolarHBondContact O-CG2 3.07Å; I358-V362 PolarHBondContact O-N 3.11Å; I358-Y501 HydrophobicContact CG2-CD1 3.42Å; I358-Y501 VanDerWaalsContact CG2-CD1 3.42Å; I358-Y501 HydrophobicContact CG2-CE1 4.01Å; I358-Y501 HydrophobicContact CG2-CG 4.03Å
359	I	93.7	Very high	90.8	Very high	0 Å²	0	55.2 Å²	55.2	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-64.2	-44.9	-179	-61.8	-56.5	0	0	0	110.7	L326 E330 F354 P356 S361 V362 K363 I505 A508	L326-I359 HydrophobicContact CB-CG2 4.12Å; L326-I359 HydrophobicContact CD2-CD1 4.11Å; L326-I359 HydrophobicContact CD2-CG2 3.98Å; E330-I359 HydrophobicContact CB-CG2 4.26Å; F354-I359 HydrophobicContact CE2-CD1 4.36Å; F354-I359 HydrophobicContact CE2-CG1 4.03Å; F354-I359 HydrophobicContact CZ-CD1 4.4Å; F354-I359 HydrophobicContact CZ-CG1 3.6Å; P356-I359 PolarHBondContact O-N 3.28Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 2.99Å; I359-V362 PolarHBondContact O-N 3.49Å; I359-K363 VanDerWaalsContact O-CB 3.31Å; I359-K363 WeakPolarHBondContact O-CB 3.4Å; I359-K363 PolarHBondContact O-N 2.88Å; I359-I505 HydrophobicContact CD1-CG1 4.12Å; I359-A508 HydrophobicContact CD1-CB 4.15Å; I359-A508 HydrophobicContact CG1-CB 4.27Å
360	G	93	Very high	91.2	Very high	14 Å²	14	54.8 Å²	54.8	14%	0.144	30%	0.296	C	S	.	.	H	α-helix	trans	-61.6	-40.7	175.2	0	0	0	0	0	112.5	P356 A357 K363 S364	P356-G360 PolarHBondContact O-N 3.4Å; A357-G360 PolarHBondContact O-N 3.46Å; G360-K363 PolarHBondContact O-N 3.44Å; G360-S364 WeakPolarHBondContact O-CB 3.42Å; G360-S364 PolarHBondContact O-N 3.4Å; G360-S364 PolarHBondContact O-OG 3.27Å
361	S	94	Very high	91.6	Very high	48 Å²	48	52.5 Å²	52.5	34%	0.336	29%	0.287	S	S	.	.	H	α-helix	trans	-63.6	-50.9	177.1	-60.2	0	0	0	0	111.6	A357 I358 I359 K363 S364 W365	A357-S361 VanDerWaalsContact O-CB 3.32Å; A357-S361 WeakPolarHBondContact O-CB 3.39Å; A357-S361 PolarHBondContact O-N 3.3Å; A357-S361 PolarHBondContact O-OG 3.15Å; I358-S361 PolarHBondContact O-N 2.97Å; I359-S361 VanDerWaalsContact C-N 3.33Å; I359-S361 PolarHBondContact O-N 2.99Å; S361-K363 VanDerWaalsContact C-N 3.32Å; S361-K363 PolarHBondContact O-N 3.28Å; S361-S364 PolarHBondContact O-N 3.25Å; S361-S364 PolarHBondContact O-OG 2.84Å; S361-W365 VanDerWaalsContact O-CG 3.3Å; S361-W365 PolarHBondContact O-N 3.12Å
362	V	94.8	Very high	91.9	Very high	3 Å²	3	47.6 Å²	47.6	2%	0.018	26%	0.263	C	S	.	.	H	α-helix	trans	-58.9	-45.3	177.4	175.2	0	0	0	0	110.5	L326 I358 I359 S364 W365 L366 L498 Y501	L326-V362 HydrophobicContact CD1-CB 4.48Å; L326-V362 HydrophobicContact CD1-CG1 3.82Å; I358-V362 HydrophobicContact CG2-CG2 4.32Å; I358-V362 VanDerWaalsContact O-CG2 3.32Å; I358-V362 WeakPolarHBondContact O-CG2 3.07Å; I358-V362 PolarHBondContact O-N 3.11Å; I359-V362 PolarHBondContact O-N 3.49Å; V362-S364 PolarHBondContact O-N 3.26Å; V362-W365 HydrophobicContact CG2-CE3 4.41Å; V362-W365 HydrophobicContact CG2-CZ3 4.26Å; V362-W365 PolarHBondContact O-N 2.95Å; V362-L366 HydrophobicContact CG1-CD1 4.21Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 3.13Å; V362-L498 HydrophobicContact CG1-CG 4.47Å; V362-Y501 HydrophobicContact CG2-CD2 3.76Å; V362-Y501 HydrophobicContact CG2-CE2 4.39Å; V362-Y501 HydrophobicContact CG2-CG 3.88Å
363	K	95	Very high	92.3	Very high	36 Å²	36	52.7 Å²	52.7	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-56.9	-49.7	175.8	-176	-174.5	76.5	-179.9	0	111.8	L326 D327 E330 I359 G360 S361 W365 L366 I367	L326-K363 HydrophobicContact CB-CB 4.18Å; L326-K363 HydrophobicContact CB-CG 4.46Å; D327-K363 HydrophobicContact CB-CD 3.82Å; D327-K363 IonicContact OD1-NZ 3.77Å; D327-K363 PolarHBondContact OD1-NZ 3.41Å; E330-K363 VanDerWaalsContact OE2-CE 3.23Å; E330-K363 WeakPolarHBondContact OE2-CE 3.35Å; E330-K363 IonicContact OE2-NZ 2.83Å; E330-K363 PolarHBondContact OE2-NZ 2.91Å; I359-K363 VanDerWaalsContact O-CB 3.31Å; I359-K363 WeakPolarHBondContact O-CB 3.4Å; I359-K363 PolarHBondContact O-N 2.88Å; G360-K363 PolarHBondContact O-N 3.44Å; S361-K363 VanDerWaalsContact C-N 3.32Å; S361-K363 PolarHBondContact O-N 3.28Å; K363-W365 VanDerWaalsContact C-N 3.33Å; K363-W365 PolarHBondContact O-N 3.29Å; K363-L366 PolarHBondContact O-N 2.95Å; K363-I367 HydrophobicContact CD-CD1 4.35Å; K363-I367 HydrophobicContact CG-CD1 3.8Å; K363-I367 WeakPolarHBondContact O-CG1 3.36Å; K363-I367 PolarHBondContact O-N 2.77Å
364	S	94.8	Very high	92.8	Very high	59 Å²	59	47.3 Å²	47.3	41%	0.413	25%	0.254	S	S	.	.	H	α-helix	trans	-62.1	-39.2	-178.5	68.9	0	0	0	0	112.5	G360 S361 V362 I367 H368	G360-S364 WeakPolarHBondContact O-CB 3.42Å; G360-S364 PolarHBondContact O-N 3.4Å; G360-S364 PolarHBondContact O-OG 3.27Å; S361-S364 PolarHBondContact O-N 3.25Å; S361-S364 PolarHBondContact O-OG 2.84Å; V362-S364 PolarHBondContact O-N 3.26Å; S364-I367 PolarHBondContact O-N 3.09Å; S364-H368 VanDerWaalsContact O-CB 3.27Å; S364-H368 WeakPolarHBondContact O-CB 3.49Å; S364-H368 PolarHBondContact O-N 2.97Å
365	W	93.5	Very high	92.9	Very high	75 Å²	75	47 Å²	47	28%	0.284	25%	0.253	S	S	.	.	H	α-helix	trans	-63.5	-45.5	175	-61.9	-23.5	0	0	0	112.1	S361 V362 K363 I367 H368 V369 R497 Y501	S361-W365 VanDerWaalsContact O-CG 3.3Å; S361-W365 PolarHBondContact O-N 3.12Å; V362-W365 HydrophobicContact CG2-CE3 4.41Å; V362-W365 HydrophobicContact CG2-CZ3 4.26Å; V362-W365 PolarHBondContact O-N 2.95Å; K363-W365 VanDerWaalsContact C-N 3.33Å; K363-W365 PolarHBondContact O-N 3.29Å; W365-I367 PolarHBondContact O-N 2.88Å; W365-H368 PolarHBondContact O-N 2.99Å; W365-V369 WeakPolarHBondContact O-CG2 3.37Å; W365-V369 PolarHBondContact O-N 2.87Å; W365-R497 VanDerWaalsContact CE2-NH2 3.3Å; W365-Y501 HydrophobicContact CH2-CE2 4.13Å; W365-Y501 HydrophobicContact CZ3-CD2 4.34Å; W365-Y501 AromaticContact CZ3-CE2 3.56Å; W365-Y501 HydrophobicContact CZ3-CE2 3.56Å; W365-Y501 AromaticContact CZ3-CZ 3.96Å
366	L	95.4	Very high	92.8	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.016	25%	0.251	C	S	.	.	H	α-helix	trans	-61.1	-45.4	178	-67.7	175.1	0	0	0	111.7	W319 I322 I323 L326 V362 K363 H368 V369 I370 L494 L498	W319-L366 HydrophobicContact CE3-CD2 4.11Å; W319-L366 HydrophobicContact CZ3-CD2 3.74Å; I322-L366 HydrophobicContact CG2-CD1 4.08Å; I323-L366 HydrophobicContact CD1-CB 3.98Å; I323-L366 HydrophobicContact CG1-CB 3.73Å; I323-L366 HydrophobicContact CG1-CD1 3.98Å; L326-L366 HydrophobicContact CD1-CD1 3.7Å; V362-L366 HydrophobicContact CG1-CD1 4.21Å; V362-L366 WeakPolarHBondContact O-CG 3.47Å; V362-L366 PolarHBondContact O-N 3.13Å; K363-L366 PolarHBondContact O-N 2.95Å; L366-H368 VanDerWaalsContact C-N 3.31Å; L366-H368 PolarHBondContact O-N 3.17Å; L366-V369 PolarHBondContact O-N 2.76Å; L366-I370 HydrophobicContact CB-CD1 4.4Å; L366-I370 HydrophobicContact CD2-CD1 4.09Å; L366-I370 VanDerWaalsContact O-CB 3.28Å; L366-I370 WeakPolarHBondContact O-CB 3.47Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.33Å; L366-I370 PolarHBondContact O-N 2.97Å; L366-L494 HydrophobicContact CD2-CD1 3.99Å; L366-L494 HydrophobicContact CD2-CD2 3.77Å; L366-L494 HydrophobicContact CD2-CG 3.82Å; L366-L498 HydrophobicContact CD1-CD1 4.04Å; L366-L498 HydrophobicContact CD2-CD1 4.19Å
367	I	94.9	Very high	93.1	Very high	73 Å²	73	53.9 Å²	53.9	37%	0.374	28%	0.277	S	S	.	.	H	α-helix	trans	-65.3	-36.9	178.7	-67.4	171.4	0	0	0	111.5	I323 K363 S364 W365 R384	I323-I367 HydrophobicContact CD1-CG1 4.45Å; I323-I367 HydrophobicContact CG2-CD1 4Å; I323-I367 HydrophobicContact CG2-CG1 3.73Å; K363-I367 HydrophobicContact CD-CD1 4.35Å; K363-I367 HydrophobicContact CG-CD1 3.8Å; K363-I367 WeakPolarHBondContact O-CG1 3.36Å; K363-I367 PolarHBondContact O-N 2.77Å; S364-I367 PolarHBondContact O-N 3.09Å; W365-I367 PolarHBondContact O-N 2.88Å; I367-R384 PolarHBondContact O-NE 2.66Å
368	H	94.9	Very high	93	Very high	129 Å²	129	56.2 Å²	56.2	60%	0.597	28%	0.278	S	S	*	.	H	α-helix	trans	-68.3	-37.8	179	-173.9	62.7	0	0	0	112.3	S364 W365 L366 R384	S364-H368 VanDerWaalsContact O-CB 3.27Å; S364-H368 WeakPolarHBondContact O-CB 3.49Å; S364-H368 PolarHBondContact O-N 2.97Å; W365-H368 PolarHBondContact O-N 2.99Å; L366-H368 VanDerWaalsContact C-N 3.31Å; L366-H368 PolarHBondContact O-N 3.17Å; H368-R384 WeakPolarHBondContact O-CD 3.36Å
369	V	95.1	Very high	92.8	Very high	24 Å²	24	60.8 Å²	60.8	15%	0.145	30%	0.299	C	S	.	.	H	α-helix	trans	-84.5	-38.5	-177.7	176	0	0	0	0	112.6	W365 L366 R384 V387 I490 L494	W365-V369 WeakPolarHBondContact O-CG2 3.37Å; W365-V369 PolarHBondContact O-N 2.87Å; L366-V369 PolarHBondContact O-N 2.76Å; V369-R384 PolarHBondContact O-N 3.34Å; V369-V387 HydrophobicContact CG1-CG1 4.38Å; V369-I490 HydrophobicContact CG1-CG2 3.85Å; V369-L494 HydrophobicContact CB-CD1 4.48Å; V369-L494 HydrophobicContact CB-CD2 4.13Å; V369-L494 HydrophobicContact CG1-CD2 3.85Å; V369-L494 HydrophobicContact CG2-CD1 4.36Å
370	I	95	Very high	92.6	Very high	0 Å²	0	63.8 Å²	63.8	0%	0	31%	0.31	C	S	.	.	B	Isolated β-bridge	trans	-97.9	131.4	-168.1	-53.3	174.4	0	0	0	111	W319 I323 L366 T372 F381 R384 L494	W319-I370 HydrophobicContact CB-CD1 4.11Å; W319-I370 HydrophobicContact CD2-CD1 3.87Å; W319-I370 HydrophobicContact CE3-CD1 3.45Å; W319-I370 VanDerWaalsContact CE3-CD1 3.45Å; W319-I370 HydrophobicContact CG-CD1 4.18Å; W319-I370 HydrophobicContact CZ3-CD1 4.08Å; I323-I370 HydrophobicContact CD1-CD1 4.32Å; L366-I370 HydrophobicContact CB-CD1 4.4Å; L366-I370 HydrophobicContact CD2-CD1 4.09Å; L366-I370 VanDerWaalsContact O-CB 3.28Å; L366-I370 WeakPolarHBondContact O-CB 3.47Å; L366-I370 VanDerWaalsContact O-CG1 3.27Å; L366-I370 WeakPolarHBondContact O-CG1 3.33Å; L366-I370 PolarHBondContact O-N 2.97Å; I370-T372 HydrophobicContact CG2-CG2 4Å; I370-T372 PolarHBondContact O-N 3.05Å; I370-F381 HydrophobicContact CD1-CE2 3.67Å; I370-F381 HydrophobicContact CD1-CZ 4.28Å; I370-F381 HydrophobicContact CG1-CE2 3.62Å; I370-F381 HydrophobicContact CG1-CZ 3.8Å; I370-F381 HydrophobicContact CG2-CE2 4.35Å; I370-R384 PolarHBondContact O-NH2 2.86Å; I370-R384 VanDerWaalsContact O-NH2 3.15Å; I370-L494 HydrophobicContact CD1-CD2 3.68Å; I370-L494 HydrophobicContact CG1-CD2 3.73Å
371	D	94.2	Very high	92.6	Very high	25 Å²	25	63.7 Å²	63.7	13%	0.134	31%	0.305	C	S	.	.			trans	-87.9	91.4	161.9	-170.4	-28	0	0	0	108.7	E373 K374 T375 V382 R384	D371-E373 VanDerWaalsContact C-N 3.28Å; D371-E373 PolarHBondContact O-N 3.28Å; D371-E373 PolarHBondContact OD1-N 3.43Å; D371-K374 HydrophobicContact CB-CB 4.24Å; D371-K374 PolarHBondContact OD1-N 3Å; D371-K374 VanDerWaalsContact OD1-N 3.07Å; D371-K374 VanDerWaalsContact OD2-CD 3.24Å; D371-K374 WeakPolarHBondContact OD2-CD 3.47Å; D371-K374 WeakPolarHBondContact OD2-CE 3.36Å; D371-K374 WeakPolarHBondContact OD2-CG 3.48Å; D371-T375 WeakPolarHBondContact O-CB 3.4Å; D371-T375 PolarHBondContact O-N 3.02Å; D371-T375 PolarHBondContact O-OG1 2.84Å; D371-V382 HydrophobicContact CB-CG1 4.23Å; D371-V382 PolarHBondContact N-O 2.77Å; D371-R384 HydrophobicContact CB-CB 4.5Å
372	T	90.4	Very high	92.5	Very high	38 Å²	38	61.7 Å²	61.7	23%	0.233	29%	0.291	C	S	.	.	H	α-helix	trans	-65.7	-30.5	-174.4	49.9	0	0	0	0	113.3	I323 I370 E376	I323-T372 HydrophobicContact CD1-CG2 3.56Å; I370-T372 HydrophobicContact CG2-CG2 4Å; I370-T372 PolarHBondContact O-N 3.05Å; T372-E376 PolarHBondContact O-N 3.14Å
373	E	91.4	Very high	92.5	Very high	159 Å²	159	61.9 Å²	61.9	74%	0.743	29%	0.293	S	S	*	.	H	α-helix	trans	-73	-47.7	-179	-66.9	-179.6	-176.7	0	0	110.6	D371 T375 E376 K377	D371-E373 VanDerWaalsContact C-N 3.28Å; D371-E373 PolarHBondContact O-N 3.28Å; D371-E373 PolarHBondContact OD1-N 3.43Å; E373-T375 VanDerWaalsContact C-N 3.35Å; E373-E376 PolarHBondContact O-N 3.16Å; E373-K377 PolarHBondContact O-N 3.42Å
374	K	91.2	Very high	92.5	Very high	83 Å²	83	64.7 Å²	64.7	36%	0.361	30%	0.302	S	S	.	.	H	α-helix	trans	-66	-39.5	174.2	-69.9	-171.7	-173.6	178.2	0	112.1	D371 E376 K377 E378 V382	D371-K374 HydrophobicContact CB-CB 4.24Å; D371-K374 PolarHBondContact OD1-N 3Å; D371-K374 VanDerWaalsContact OD1-N 3.07Å; D371-K374 VanDerWaalsContact OD2-CD 3.24Å; D371-K374 WeakPolarHBondContact OD2-CD 3.47Å; D371-K374 WeakPolarHBondContact OD2-CE 3.36Å; D371-K374 WeakPolarHBondContact OD2-CG 3.48Å; K374-E376 PolarHBondContact O-N 2.96Å; K374-K377 PolarHBondContact O-N 3.07Å; K374-K377 VanDerWaalsContact O-N 3.14Å; K374-E378 WeakPolarHBondContact O-CB 3.39Å; K374-E378 PolarHBondContact O-N 3.42Å; K374-V382 HydrophobicContact CB-CB 3.96Å; K374-V382 HydrophobicContact CB-CG1 3.81Å; K374-V382 HydrophobicContact CB-CG2 4.09Å; K374-V382 HydrophobicContact CD-CG1 3.97Å
375	T	91.8	Very high	92.3	Very high	3 Å²	3	69.4 Å²	69.4	2%	0.018	31%	0.311	C	S	.	.	H	α-helix	trans	-56.2	-41.3	178.2	-66.9	0	0	0	0	111.8	P316 D371 E373 Q379 R380 V382	P316-T375 HydrophobicContact CB-CG2 3.92Å; D371-T375 WeakPolarHBondContact O-CB 3.4Å; D371-T375 PolarHBondContact O-N 3.02Å; D371-T375 PolarHBondContact O-OG1 2.84Å; E373-T375 VanDerWaalsContact C-N 3.35Å; T375-Q379 WeakPolarHBondContact O-CA 3.49Å; T375-Q379 PolarHBondContact O-N 3.01Å; T375-Q379 VanDerWaalsContact O-N 3.15Å; T375-R380 WeakPolarHBondContact CA-O 3.43Å; T375-R380 WeakPolarHBondContact CG2-O 3.27Å; T375-R380 PolarHBondContact O-N 2.87Å; T375-V382 PolarHBondContact OG1-N 3.4Å; T375-V382 PolarHBondContact OG1-O 3.04Å
376	E	87.5	Confident	92.2	Very high	83 Å²	83	68.7 Å²	68.7	39%	0.388	33%	0.327	S	S	.	.	H	α-helix	trans	-73.8	-41	177.2	-173.8	167.1	-160.2	0	0	112.4	R320 T372 E373 K374 Q379	R320-E376 WeakPolarHBondContact CD-OE2 3.41Å; R320-E376 VanDerWaalsContact CZ-CD 3.49Å; R320-E376 IonicContact CZ-OE1 2.75Å; R320-E376 IonicContact CZ-OE2 3.69Å; R320-E376 IonicContact NE-OE1 2.77Å; R320-E376 IonicContact NE-OE2 3.98Å; R320-E376 IonicContact NH1-OE1 3.4Å; R320-E376 PolarHBondContact NH1-OE1 3.4Å; R320-E376 IonicContact NH1-OE2 3.34Å; R320-E376 PolarHBondContact NH1-OE2 3.27Å; R320-E376 IonicContact NH2-OE1 3.43Å; R320-E376 PolarHBondContact NH2-OE1 2.89Å; R320-E376 VanDerWaalsContact NH2-OE1 3.09Å; T372-E376 PolarHBondContact O-N 3.14Å; E373-E376 PolarHBondContact O-N 3.16Å; K374-E376 PolarHBondContact O-N 2.96Å; E376-Q379 PolarHBondContact O-NE2 3.36Å
377	K	90.9	Very high	92	Very high	182 Å²	182	70.8 Å²	70.8	79%	0.791	34%	0.34	S	S	*	.	H	α-helix	trans	-66.3	-41.9	179.9	-174	-179.9	177.2	-175.1	0	112.7	E373 K374	E373-K377 PolarHBondContact O-N 3.42Å; K374-K377 PolarHBondContact O-N 3.07Å; K374-K377 VanDerWaalsContact O-N 3.14Å
378	E	88.6	Confident	92	Very high	104 Å²	104	69.7 Å²	69.7	49%	0.486	34%	0.335	S	S	.	.	H	α-helix	trans	-89.1	-8.5	-175.8	-64	-179.3	-161.2	0	0	112.8	K374 R380 V382	K374-E378 WeakPolarHBondContact O-CB 3.39Å; K374-E378 PolarHBondContact O-N 3.42Å; E378-R380 PolarHBondContact O-N 3.05Å; E378-V382 HydrophobicContact CB-CG2 4.38Å; E378-V382 WeakPolarHBondContact OE2-CG2 3.44Å
379	Q	89.9	Confident	91.9	Very high	135 Å²	135	68.3 Å²	68.3	63%	0.631	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.5	35	-175	-62.6	-69.6	-55	0	0	112.4	P316 T375 E376	P316-Q379 WeakPolarHBondContact CG-O 3.08Å; T375-Q379 WeakPolarHBondContact O-CA 3.49Å; T375-Q379 PolarHBondContact O-N 3.01Å; T375-Q379 VanDerWaalsContact O-N 3.15Å; E376-Q379 PolarHBondContact O-NE2 3.36Å
380	R	88.9	Confident	91.8	Very high	64 Å²	64	70.2 Å²	70.2	24%	0.242	35%	0.347	C	S	.	.	S	Bend	trans	-141.7	153.4	176.1	-171	177.6	86.8	-160.7	1.5	108.7	T375 E378 V382 I483 E487	T375-R380 WeakPolarHBondContact CA-O 3.43Å; T375-R380 WeakPolarHBondContact CG2-O 3.27Å; T375-R380 PolarHBondContact O-N 2.87Å; E378-R380 PolarHBondContact O-N 3.05Å; R380-V382 PolarHBondContact O-N 2.75Å; R380-I483 VanDerWaalsContact NH2-CG2 3.31Å; R380-E487 IonicContact CZ-OE2 2.72Å; R380-E487 IonicContact NE-OE2 3.27Å; R380-E487 PolarHBondContact NE-OE2 3.43Å; R380-E487 IonicContact NH2-OE1 2.72Å; R380-E487 IonicContact NH2-OE2 3.8Å; R380-E487 PolarHBondContact NH2-OE2 3.38Å
381	F	91.9	Very high	91.7	Very high	11 Å²	11	70.3 Å²	70.3	5%	0.048	35%	0.348	C	S	.	.			trans	-64.3	119.8	170.2	-177.5	-94.2	0	0	0	110.4	W319 I370 V383 E487 I490 M491 L494	W319-F381 AromaticContact CD1-CD2 3.66Å; W319-F381 HydrophobicContact CD2-CD2 4.13Å; W319-F381 AromaticContact CD2-CE2 3.91Å; W319-F381 HydrophobicContact CD2-CE2 3.91Å; W319-F381 AromaticContact CE2-CD2 3.72Å; W319-F381 AromaticContact CE2-CE2 3.68Å; W319-F381 HydrophobicContact CE3-CE2 4.43Å; W319-F381 HydrophobicContact CG-CD2 4.06Å; W319-F381 HydrophobicContact CG-CE2 4.21Å; W319-F381 HydrophobicContact CH2-CE2 4.46Å; W319-F381 HydrophobicContact CZ2-CD2 4.28Å; W319-F381 AromaticContact CZ2-CE2 3.98Å; W319-F381 HydrophobicContact CZ2-CE2 3.98Å; W319-F381 AromaticContact NE1-CD2 3.42Å; W319-F381 AromaticContact NE1-CE2 3.9Å; I370-F381 HydrophobicContact CD1-CE2 3.67Å; I370-F381 HydrophobicContact CD1-CZ 4.28Å; I370-F381 HydrophobicContact CG1-CE2 3.62Å; I370-F381 HydrophobicContact CG1-CZ 3.8Å; I370-F381 HydrophobicContact CG2-CE2 4.35Å; F381-V383 HydrophobicContact CD1-CG2 4.15Å; F381-V383 HydrophobicContact CE1-CG2 3.59Å; F381-E487 HydrophobicContact CD1-CB 4.46Å; F381-I490 HydrophobicContact CE1-CG2 4.48Å; F381-M491 HydrophobicContact CB-CG 4.34Å; F381-M491 HydrophobicContact CB-SD 3.92Å; F381-M491 HydrophobicContact CD1-CB 3.62Å; F381-M491 HydrophobicContact CD1-CG 4.05Å; F381-M491 HydrophobicContact CD2-CB 4.3Å; F381-M491 HydrophobicContact CD2-CG 3.84Å; F381-M491 HydrophobicContact CD2-SD 4.3Å; F381-M491 HydrophobicContact CE1-CB 3.66Å; F381-M491 HydrophobicContact CE1-CG 4.24Å; F381-M491 HydrophobicContact CE2-CB 4.33Å; F381-M491 HydrophobicContact CE2-CG 4.02Å; F381-M491 HydrophobicContact CG-CB 3.93Å; F381-M491 HydrophobicContact CG-CG 3.82Å; F381-M491 HydrophobicContact CG-SD 4.07Å; F381-M491 HydrophobicContact CZ-CB 4.03Å; F381-M491 HydrophobicContact CZ-CG 4.22Å; F381-L494 HydrophobicContact CE2-CD2 4.23Å; F381-L494 HydrophobicContact CZ-CD2 3.9Å
382	V	92.9	Very high	91.6	Very high	6 Å²	6	70.4 Å²	70.4	4%	0.036	35%	0.348	C	S	.	.			trans	-116.8	128.8	179.8	-179.7	0	0	0	0	110.2	D371 K374 T375 E378 R380	D371-V382 HydrophobicContact CB-CG1 4.23Å; D371-V382 PolarHBondContact N-O 2.77Å; K374-V382 HydrophobicContact CB-CB 3.96Å; K374-V382 HydrophobicContact CB-CG1 3.81Å; K374-V382 HydrophobicContact CB-CG2 4.09Å; K374-V382 HydrophobicContact CD-CG1 3.97Å; T375-V382 PolarHBondContact OG1-N 3.4Å; T375-V382 PolarHBondContact OG1-O 3.04Å; E378-V382 HydrophobicContact CB-CG2 4.38Å; E378-V382 WeakPolarHBondContact OE2-CG2 3.44Å; R380-V382 PolarHBondContact O-N 2.75Å
383	V	95.1	Very high	91.7	Very high	8 Å²	8	74.9 Å²	74.9	5%	0.048	36%	0.364	C	S	.	.	B	Isolated β-bridge	trans	-85.2	139.9	179.6	176	0	0	0	0	110.1	F381 V387 L391 E487 I490	F381-V383 HydrophobicContact CD1-CG2 4.15Å; F381-V383 HydrophobicContact CE1-CG2 3.59Å; V383-V387 HydrophobicContact CG1-CB 3.65Å; V383-V387 HydrophobicContact CG1-CG1 3.84Å; V383-V387 HydrophobicContact CG1-CG2 4.06Å; V383-L391 HydrophobicContact CB-CD2 3.69Å; V383-L391 HydrophobicContact CG1-CD2 4.02Å; V383-L391 HydrophobicContact CG2-CD2 4.08Å; V383-E487 HydrophobicContact CB-CG 4.34Å; V383-E487 HydrophobicContact CG2-CB 4.32Å; V383-E487 HydrophobicContact CG2-CG 3.92Å; V383-E487 PolarHBondContact N-OE1 3.44Å; V383-I490 HydrophobicContact CG1-CD1 4.26Å; V383-I490 HydrophobicContact CG2-CB 4.09Å; V383-I490 HydrophobicContact CG2-CD1 4.02Å; V383-I490 HydrophobicContact CG2-CG2 3.8Å
384	R	94.4	Very high	91.8	Very high	95 Å²	95	72 Å²	72	36%	0.358	35%	0.347	S	S	.	.	P	Polyproline II helix	trans	-69.4	145.4	176.9	-172.4	178.2	-66.7	-90.8	-7.4	110.7	I367 H368 V369 I370 D371 V387	I367-R384 PolarHBondContact O-NE 2.66Å; H368-R384 WeakPolarHBondContact O-CD 3.36Å; V369-R384 PolarHBondContact O-N 3.34Å; I370-R384 PolarHBondContact O-NH2 2.86Å; I370-R384 VanDerWaalsContact O-NH2 3.15Å; D371-R384 HydrophobicContact CB-CB 4.5Å; R384-V387 HydrophobicContact CB-CG2 4.2Å; R384-V387 WeakPolarHBondContact O-CB 3.25Å; R384-V387 WeakPolarHBondContact O-CG2 3.43Å; R384-V387 PolarHBondContact O-N 2.94Å
385	R	91.5	Very high	91.8	Very high	157 Å²	157	69.8 Å²	69.8	59%	0.592	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	142.1	174.4	-71.3	-172.2	170.8	-173.3	-4	112.2	V387 D392	R385-V387 VanDerWaalsContact C-N 3.34Å; R385-D392 WeakPolarHBondContact CA-OD1 3.47Å
386	G	91.2	Very high	91.8	Very high	60 Å²	60	74.7 Å²	74.7	62%	0.619	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.5	-4.4	-179.8	0	0	0	0	0	114.8	D392	G386-D392 WeakPolarHBondContact CA-OD2 3.37Å; G386-D392 PolarHBondContact N-OD2 2.84Å
387	V	91.5	Very high	91.9	Very high	48 Å²	48	72.8 Å²	72.8	29%	0.291	36%	0.356	S	S	.	.	S	Bend	trans	-77.6	-44	175	176.3	0	0	0	0	110.6	V369 V383 R384 R385	V369-V387 HydrophobicContact CG1-CG1 4.38Å; V383-V387 HydrophobicContact CG1-CB 3.65Å; V383-V387 HydrophobicContact CG1-CG1 3.84Å; V383-V387 HydrophobicContact CG1-CG2 4.06Å; R384-V387 HydrophobicContact CB-CG2 4.2Å; R384-V387 WeakPolarHBondContact O-CB 3.25Å; R384-V387 WeakPolarHBondContact O-CG2 3.43Å; R384-V387 PolarHBondContact O-N 2.94Å; R385-V387 VanDerWaalsContact C-N 3.34Å
388	D	93.4	Very high	91.9	Very high	50 Å²	50	68.7 Å²	68.7	27%	0.267	34%	0.336	S	S	.	.			trans	-136.1	116.5	179.1	-173.3	-67.4	0	0	0	110.8	T390 L391 D392 I490	D388-T390 VanDerWaalsContact C-N 3.28Å; D388-T390 PolarHBondContact O-N 2.89Å; D388-T390 WeakPolarHBondContact OD1-CA 3.29Å; D388-T390 WeakPolarHBondContact OD1-CB 3Å; D388-T390 PolarHBondContact OD1-N 3.25Å; D388-T390 PolarHBondContact OD1-OG1 3.19Å; D388-L391 HydrophobicContact CB-CB 3.92Å; D388-L391 PolarHBondContact O-N 3.43Å; D388-L391 PolarHBondContact OD1-N 2.87Å; D388-D392 VanDerWaalsContact O-CG 3.28Å; D388-D392 PolarHBondContact O-N 2.74Å; D388-I490 HydrophobicContact CB-CD1 3.95Å
389	T	93	Very high	92	Very high	99 Å²	99	66.6 Å²	66.6	61%	0.607	34%	0.337	S	S	*	.	H	α-helix	trans	-69	-23.8	-175.9	63.3	0	0	0	0	114	K393	T389-K393 WeakPolarHBondContact O-CG 3.48Å; T389-K393 PolarHBondContact O-N 3.11Å
390	T	92.7	Very high	92.1	Very high	65 Å²	65	63.9 Å²	63.9	40%	0.399	33%	0.332	S	S	.	.	H	α-helix	trans	-79	-43	177.8	63.5	0	0	0	0	110.5	D388 D392 K393 W394	D388-T390 VanDerWaalsContact C-N 3.28Å; D388-T390 PolarHBondContact O-N 2.89Å; D388-T390 WeakPolarHBondContact OD1-CA 3.29Å; D388-T390 WeakPolarHBondContact OD1-CB 3Å; D388-T390 PolarHBondContact OD1-N 3.25Å; D388-T390 PolarHBondContact OD1-OG1 3.19Å; T390-D392 VanDerWaalsContact C-N 3.33Å; T390-D392 PolarHBondContact O-N 3.07Å; T390-K393 PolarHBondContact O-N 2.72Å; T390-W394 PolarHBondContact O-N 2.96Å; T390-W394 VanDerWaalsContact O-N 3.08Å
391	L	93.3	Very high	92.1	Very high	1 Å²	1	61.1 Å²	61.1	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-62	-40.5	173.2	-178.4	58.2	0	0	0	111.8	V383 D388 K393 W394 N395 I483 A486 E487 I490	V383-L391 HydrophobicContact CB-CD2 3.69Å; V383-L391 HydrophobicContact CG1-CD2 4.02Å; V383-L391 HydrophobicContact CG2-CD2 4.08Å; D388-L391 HydrophobicContact CB-CB 3.92Å; D388-L391 PolarHBondContact O-N 3.43Å; D388-L391 PolarHBondContact OD1-N 2.87Å; L391-K393 PolarHBondContact O-N 3.11Å; L391-W394 HydrophobicContact CD1-CE3 4.43Å; L391-W394 PolarHBondContact O-N 3.14Å; L391-N395 WeakPolarHBondContact O-CB 3.31Å; L391-N395 PolarHBondContact O-N 3.29Å; L391-N395 PolarHBondContact O-ND2 3.45Å; L391-N395 VanDerWaalsContact O-ND2 3.15Å; L391-I483 HydrophobicContact CD1-CB 4.13Å; L391-I483 HydrophobicContact CD1-CG1 4.2Å; L391-I483 HydrophobicContact CD1-CG2 3.81Å; L391-A486 HydrophobicContact CD1-CB 4.19Å; L391-E487 HydrophobicContact CD1-CG 4.16Å; L391-E487 HydrophobicContact CD2-CG 3.76Å; L391-I490 HydrophobicContact CD2-CD1 4.03Å
392	D	93.3	Very high	92.1	Very high	27 Å²	27	64.2 Å²	64.2	14%	0.144	34%	0.343	C	S	.	.	H	α-helix	trans	-59.6	-44.7	175.6	-75.4	-25.2	0	0	0	111.8	R385 G386 D388 T390 W394 N395 E396	R385-D392 WeakPolarHBondContact CA-OD1 3.47Å; G386-D392 WeakPolarHBondContact CA-OD2 3.37Å; G386-D392 PolarHBondContact N-OD2 2.84Å; D388-D392 VanDerWaalsContact O-CG 3.28Å; D388-D392 PolarHBondContact O-N 2.74Å; T390-D392 VanDerWaalsContact C-N 3.33Å; T390-D392 PolarHBondContact O-N 3.07Å; D392-W394 PolarHBondContact O-N 2.9Å; D392-N395 PolarHBondContact O-N 2.78Å; D392-E396 WeakPolarHBondContact O-CG 3.44Å; D392-E396 PolarHBondContact O-N 3.15Å
393	K	92.5	Very high	92.1	Very high	132 Å²	132	69 Å²	69	57%	0.574	37%	0.368	S	S	*	.	H	α-helix	trans	-62.5	-40.1	176	-72.9	172.1	-177.2	177.1	0	112.6	T389 T390 L391 E396 T397	T389-K393 WeakPolarHBondContact O-CG 3.48Å; T389-K393 PolarHBondContact O-N 3.11Å; T390-K393 PolarHBondContact O-N 2.72Å; L391-K393 PolarHBondContact O-N 3.11Å; K393-E396 PolarHBondContact O-N 3.12Å; K393-T397 WeakPolarHBondContact O-CB 3.48Å; K393-T397 PolarHBondContact O-N 3.05Å; K393-T397 PolarHBondContact O-OG1 3.05Å
394	W	92.4	Very high	91.9	Very high	99 Å²	99	70.7 Å²	70.7	38%	0.375	38%	0.377	S	S	.	.	H	α-helix	trans	-67.4	-41.3	175.5	-66.8	-34.8	0	0	0	111.8	T390 L391 D392 E396 T397 Y398 V479 A482 I483 A486	T390-W394 PolarHBondContact O-N 2.96Å; T390-W394 VanDerWaalsContact O-N 3.08Å; L391-W394 HydrophobicContact CD1-CE3 4.43Å; L391-W394 PolarHBondContact O-N 3.14Å; D392-W394 PolarHBondContact O-N 2.9Å; W394-E396 VanDerWaalsContact C-N 3.33Å; W394-E396 PolarHBondContact O-N 3.48Å; W394-T397 WeakPolarHBondContact O-CB 3.33Å; W394-T397 PolarHBondContact O-N 2.83Å; W394-Y398 WeakPolarHBondContact O-CB 3.44Å; W394-Y398 PolarHBondContact O-N 3.34Å; W394-V479 HydrophobicContact CB-CG1 4.26Å; W394-A482 HydrophobicContact CD2-CB 4.06Å; W394-A482 HydrophobicContact CE3-CB 4.07Å; W394-A482 HydrophobicContact CH2-CB 4.33Å; W394-A482 HydrophobicContact CZ2-CB 4.31Å; W394-A482 HydrophobicContact CZ3-CB 4.21Å; W394-I483 HydrophobicContact CB-CD1 4.18Å; W394-I483 HydrophobicContact CB-CG1 3.63Å; W394-A486 HydrophobicContact CE3-CB 4.41Å; W394-A486 HydrophobicContact CZ3-CB 3.79Å
395	N	91.6	Very high	91.8	Very high	37 Å²	37	66.8 Å²	66.8	20%	0.198	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-39.7	174.4	-81.2	-45.7	0	0	0	112.3	L391 D392 A399	L391-N395 WeakPolarHBondContact O-CB 3.31Å; L391-N395 PolarHBondContact O-N 3.29Å; L391-N395 PolarHBondContact O-ND2 3.45Å; L391-N395 VanDerWaalsContact O-ND2 3.15Å; D392-N395 PolarHBondContact O-N 2.78Å; N395-A399 VanDerWaalsContact O-CB 3.3Å; N395-A399 WeakPolarHBondContact O-CB 3.35Å; N395-A399 PolarHBondContact O-N 3.38Å
396	E	92	Very high	91.7	Very high	106 Å²	106	62.5 Å²	62.5	50%	0.495	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-46.4	172.9	-74.5	174.6	-178.6	0	0	111.5	D392 K393 W394 Y398 A399 C400	D392-E396 WeakPolarHBondContact O-CG 3.44Å; D392-E396 PolarHBondContact O-N 3.15Å; K393-E396 PolarHBondContact O-N 3.12Å; W394-E396 VanDerWaalsContact C-N 3.33Å; W394-E396 PolarHBondContact O-N 3.48Å; E396-Y398 VanDerWaalsContact C-N 3.31Å; E396-Y398 PolarHBondContact O-N 2.81Å; E396-A399 PolarHBondContact O-N 3.07Å; E396-C400 PolarHBondContact O-N 2.67Å; E396-C400 PolarHBondContact O-SG 2.64Å
397	T	90	Very high	91.8	Very high	43 Å²	43	65.5 Å²	65.5	26%	0.264	36%	0.355	S	S	.	.	H	α-helix	trans	-58.3	-44.6	176.7	-58.5	0	0	0	0	111.2	K393 W394 C400 L401 Y476 V479	K393-T397 WeakPolarHBondContact O-CB 3.48Å; K393-T397 PolarHBondContact O-N 3.05Å; K393-T397 PolarHBondContact O-OG1 3.05Å; W394-T397 WeakPolarHBondContact O-CB 3.33Å; W394-T397 PolarHBondContact O-N 2.83Å; T397-C400 PolarHBondContact O-N 3.26Å; T397-L401 PolarHBondContact O-N 3.3Å; T397-L401 VanDerWaalsContact O-N 3.12Å; T397-Y476 HydrophobicContact CG2-CD1 3.49Å; T397-Y476 VanDerWaalsContact CG2-CD1 3.49Å; T397-Y476 HydrophobicContact CG2-CE1 3.71Å; T397-V479 HydrophobicContact CG2-CG1 4.46Å; T397-V479 HydrophobicContact CG2-CG2 4.29Å
398	Y	89.4	Confident	91.7	Very high	95 Å²	95	65.1 Å²	65.1	37%	0.373	35%	0.351	S	S	.	.	H	α-helix	trans	-66.9	-40	177.7	-175.4	-106	0	0	0	112.5	W394 E396 C400 L401 Y427 M480 I483	W394-Y398 WeakPolarHBondContact O-CB 3.44Å; W394-Y398 PolarHBondContact O-N 3.34Å; E396-Y398 VanDerWaalsContact C-N 3.31Å; E396-Y398 PolarHBondContact O-N 2.81Å; Y398-C400 VanDerWaalsContact C-N 3.3Å; Y398-C400 PolarHBondContact O-N 3.02Å; Y398-L401 HydrophobicContact CD2-CD2 4.16Å; Y398-L401 HydrophobicContact CE2-CD2 4.43Å; Y398-L401 VanDerWaalsContact O-CB 3.24Å; Y398-L401 WeakPolarHBondContact O-CB 3.46Å; Y398-L401 PolarHBondContact O-N 3.43Å; Y398-Y427 HydrophobicContact CE2-CD1 4.3Å; Y398-Y427 HydrophobicContact CE2-CE1 4.1Å; Y398-M480 HydrophobicContact CD1-CE 3.23Å; Y398-M480 HydrophobicContact CD1-SD 4.34Å; Y398-M480 HydrophobicContact CD2-CE 3.38Å; Y398-M480 HydrophobicContact CD2-CG 3.82Å; Y398-M480 HydrophobicContact CD2-SD 4.1Å; Y398-M480 HydrophobicContact CE1-CE 3.23Å; Y398-M480 HydrophobicContact CE1-SD 3.75Å; Y398-M480 HydrophobicContact CE2-CE 3.39Å; Y398-M480 HydrophobicContact CE2-CG 3.26Å; Y398-M480 HydrophobicContact CE2-SD 3.49Å; Y398-M480 WeakPolarHBondContact CE2-SD 3.45Å; Y398-M480 HydrophobicContact CG-CE 3.29Å; Y398-M480 HydrophobicContact CG-SD 4.47Å; Y398-M480 PolarHBondContact OH-SD 3.17Å; Y398-M480 VanDerWaalsContact OH-SD 3.37Å; Y398-I483 HydrophobicContact CG-CD1 4.28Å
399	A	90.8	Very high	91.6	Very high	61 Å²	61	63.2 Å²	63.2	50%	0.504	34%	0.343	S	S	.	.	H	α-helix	trans	-64.2	-34.8	177.1	0	0	0	0	0	112.5	N395 E396 P402	N395-A399 VanDerWaalsContact O-CB 3.3Å; N395-A399 WeakPolarHBondContact O-CB 3.35Å; N395-A399 PolarHBondContact O-N 3.38Å; E396-A399 PolarHBondContact O-N 3.07Å; A399-P402 WeakPolarHBondContact O-CD 3.36Å
400	C	91.7	Very high	91.5	Very high	78 Å²	78	65.4 Å²	65.4	53%	0.527	35%	0.346	S	S	.	.	H	α-helix	trans	-83.5	-8.2	176.4	-65.7	0	0	0	0	113.9	E396 T397 Y398 D403 L404	E396-C400 PolarHBondContact O-N 2.67Å; E396-C400 PolarHBondContact O-SG 2.64Å; T397-C400 PolarHBondContact O-N 3.26Å; Y398-C400 VanDerWaalsContact C-N 3.3Å; Y398-C400 PolarHBondContact O-N 3.02Å; C400-D403 PolarHBondContact O-N 2.73Å; C400-L404 PolarHBondContact O-N 3.26Å; C400-L404 VanDerWaalsContact O-N 3.13Å
401	L	90.1	Very high	91.3	Very high	5 Å²	5	66.9 Å²	66.9	3%	0.026	35%	0.351	C	S	.	.	H	α-helix	trans	-62	-43.3	-174.3	-158.4	69.4	0	0	0	113.5	T397 Y398 D403 L404 L405 Y427 Y433	T397-L401 PolarHBondContact O-N 3.3Å; T397-L401 VanDerWaalsContact O-N 3.12Å; Y398-L401 HydrophobicContact CD2-CD2 4.16Å; Y398-L401 HydrophobicContact CE2-CD2 4.43Å; Y398-L401 VanDerWaalsContact O-CB 3.24Å; Y398-L401 WeakPolarHBondContact O-CB 3.46Å; Y398-L401 PolarHBondContact O-N 3.43Å; L401-D403 VanDerWaalsContact C-N 3.33Å; L401-D403 PolarHBondContact O-N 2.87Å; L401-L404 PolarHBondContact O-N 3.35Å; L401-L405 HydrophobicContact CD2-CD1 4.44Å; L401-L405 HydrophobicContact CG-CD1 4.01Å; L401-L405 HydrophobicContact CG-CG 4.27Å; L401-L405 WeakPolarHBondContact O-CB 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.27Å; L401-L405 PolarHBondContact O-N 3.34Å; L401-Y427 HydrophobicContact CD2-CD1 3.79Å; L401-Y427 HydrophobicContact CD2-CE1 4.44Å; L401-Y427 HydrophobicContact CD2-CG 3.95Å; L401-Y433 HydrophobicContact CD1-CE1 3.8Å; L401-Y433 HydrophobicContact CD2-CE1 3.92Å; L401-Y433 HydrophobicContact CG-CE1 4.13Å
402	P	90.7	Very high	90.9	Very high	76 Å²	76	67.3 Å²	67.3	49%	0.494	35%	0.353	S	S	.	.	H	α-helix	trans	-60.8	-39.9	179.2	-24.6	36.1	0	0	0	113.4	A399 S406	A399-P402 WeakPolarHBondContact O-CD 3.36Å; P402-S406 WeakPolarHBondContact O-CB 3.04Å; P402-S406 PolarHBondContact O-N 3.43Å; P402-S406 PolarHBondContact O-OG 3.35Å
403	D	92.6	Very high	90.7	Very high	107 Å²	107	67.6 Å²	67.6	57%	0.572	36%	0.355	S	S	*	.	H	α-helix	trans	-68.4	-44	179.1	-63.7	-30.6	0	0	0	110.7	C400 L401 S406 Q407	C400-D403 PolarHBondContact O-N 2.73Å; L401-D403 VanDerWaalsContact C-N 3.33Å; L401-D403 PolarHBondContact O-N 2.87Å; D403-S406 PolarHBondContact O-N 2.97Å; D403-Q407 WeakPolarHBondContact O-CG 3.47Å; D403-Q407 PolarHBondContact O-N 3.06Å
404	L	91.1	Very high	90.3	Very high	43 Å²	43	63.5 Å²	63.5	23%	0.225	35%	0.35	C	S	.	.	H	α-helix	trans	-60.2	-46.5	175.3	179.4	67	0	0	0	111.7	C400 L401 S406 Q407 L408 L472 Y476	C400-L404 PolarHBondContact O-N 3.26Å; C400-L404 VanDerWaalsContact O-N 3.13Å; L401-L404 PolarHBondContact O-N 3.35Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 3.32Å; L404-Q407 PolarHBondContact O-N 3.44Å; L404-L408 HydrophobicContact CD1-CD1 4.03Å; L404-L408 HydrophobicContact CD1-CG 4.34Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.47Å; L404-L408 WeakPolarHBondContact O-CG 3.34Å; L404-L408 PolarHBondContact O-N 2.89Å; L404-L472 HydrophobicContact CD2-CD2 4.38Å; L404-Y476 HydrophobicContact CD2-CE2 3.6Å; L404-Y476 WeakPolarHBondContact CD2-OH 3.39Å
405	L	92.5	Very high	89.8	Confident	13 Å²	13	65.5 Å²	65.5	7%	0.068	36%	0.361	C	S	.	.	H	α-helix	trans	-66.4	-32.9	179.3	-67.4	175.6	0	0	0	111.9	L401 A409 L425 Y433 L472	L401-L405 HydrophobicContact CD2-CD1 4.44Å; L401-L405 HydrophobicContact CG-CD1 4.01Å; L401-L405 HydrophobicContact CG-CG 4.27Å; L401-L405 WeakPolarHBondContact O-CB 3.26Å; L401-L405 WeakPolarHBondContact O-CG 3.27Å; L401-L405 PolarHBondContact O-N 3.34Å; L405-A409 WeakPolarHBondContact O-CB 3.48Å; L405-A409 PolarHBondContact O-N 3.39Å; L405-L425 HydrophobicContact CB-CB 4.08Å; L405-L425 HydrophobicContact CD2-CB 3.91Å; L405-Y433 HydrophobicContact CD1-CD1 4.42Å; L405-Y433 HydrophobicContact CD1-CE1 4.45Å; L405-Y433 HydrophobicContact CD2-CD1 3.63Å; L405-Y433 HydrophobicContact CD2-CE1 4Å; L405-L472 HydrophobicContact CD2-CD1 3.85Å
406	S	90.9	Very high	89.3	Confident	68 Å²	68	64.9 Å²	64.9	48%	0.476	36%	0.358	S	S	.	.	H	α-helix	trans	-68.2	-45	176.2	-58.5	0	0	0	0	111.4	P402 D403 L404 A409 E410	P402-S406 WeakPolarHBondContact O-CB 3.04Å; P402-S406 PolarHBondContact O-N 3.43Å; P402-S406 PolarHBondContact O-OG 3.35Å; D403-S406 PolarHBondContact O-N 2.97Å; L404-S406 VanDerWaalsContact C-N 3.29Å; L404-S406 PolarHBondContact O-N 3.32Å; S406-A409 PolarHBondContact O-N 3.33Å; S406-E410 PolarHBondContact O-N 2.9Å; S406-E410 VanDerWaalsContact O-N 3.14Å
407	Q	91.4	Very high	88.6	Confident	123 Å²	123	68.5 Å²	68.5	58%	0.575	37%	0.367	S	S	*	.	H	α-helix	trans	-61.6	-48.2	175.9	-70	172	12.2	0	0	111.5	D403 L404 A409 E410 D411	D403-Q407 WeakPolarHBondContact O-CG 3.47Å; D403-Q407 PolarHBondContact O-N 3.06Å; L404-Q407 PolarHBondContact O-N 3.44Å; Q407-A409 VanDerWaalsContact C-N 3.27Å; Q407-A409 PolarHBondContact O-N 3.41Å; Q407-E410 PolarHBondContact O-N 3.5Å; Q407-D411 PolarHBondContact O-N 3.35Å
408	L	91.1	Very high	87.8	Confident	39 Å²	39	75.5 Å²	75.5	20%	0.204	40%	0.397	C	S	.	.	H	α-helix	trans	-67.7	-28.3	178.4	-67.8	175.1	0	0	0	112.5	L404 D411 E412 L425 L472	L404-L408 HydrophobicContact CD1-CD1 4.03Å; L404-L408 HydrophobicContact CD1-CG 4.34Å; L404-L408 HydrophobicContact CG-CD1 3.99Å; L404-L408 WeakPolarHBondContact O-CB 3.47Å; L404-L408 WeakPolarHBondContact O-CG 3.34Å; L404-L408 PolarHBondContact O-N 2.89Å; L408-D411 PolarHBondContact O-N 2.8Å; L408-E412 WeakPolarHBondContact O-CG 3.39Å; L408-E412 PolarHBondContact O-N 3.42Å; L408-L425 HydrophobicContact CB-CD1 3.45Å; L408-L425 VanDerWaalsContact CB-CD1 3.45Å; L408-L472 HydrophobicContact CD1-CD1 3.94Å; L408-L472 HydrophobicContact CD1-CD2 3.68Å; L408-L472 HydrophobicContact CD1-CG 4.21Å
409	A	90.9	Very high	87.1	Confident	11 Å²	11	74.7 Å²	74.7	9%	0.091	40%	0.399	C	S	.	.	H	α-helix	trans	-68.7	-35.3	174.7	0	0	0	0	0	112	L405 S406 Q407 E412 L413 L425	L405-A409 WeakPolarHBondContact O-CB 3.48Å; L405-A409 PolarHBondContact O-N 3.39Å; S406-A409 PolarHBondContact O-N 3.33Å; Q407-A409 VanDerWaalsContact C-N 3.27Å; Q407-A409 PolarHBondContact O-N 3.41Å; A409-E412 PolarHBondContact O-N 3.03Å; A409-L413 VanDerWaalsContact O-CB 3.3Å; A409-L413 WeakPolarHBondContact O-CB 3.25Å; A409-L413 PolarHBondContact O-N 3.49Å; A409-L425 HydrophobicContact CB-CB 4.35Å; A409-L425 HydrophobicContact CB-CD1 4.46Å; A409-L425 HydrophobicContact CB-CG 4.27Å
410	E	90.2	Very high	86.5	Confident	144 Å²	144	71.8 Å²	71.8	67%	0.673	38%	0.375	S	S	*	.	H	α-helix	trans	-65.6	-40.9	172.9	-70.4	179.9	-175	0	0	111.5	S406 Q407 L413 G414	S406-E410 PolarHBondContact O-N 2.9Å; S406-E410 VanDerWaalsContact O-N 3.14Å; Q407-E410 PolarHBondContact O-N 3.5Å; E410-L413 PolarHBondContact O-N 2.92Å; E410-G414 PolarHBondContact O-N 2.84Å
411	D	88.6	Confident	86	Confident	97 Å²	97	78.4 Å²	78.4	52%	0.519	39%	0.389	S	S	.	.	H	α-helix	trans	-62.9	-44	175	-70.2	-21.5	0	0	0	111.8	Q407 L408 G414 K415	Q407-D411 PolarHBondContact O-N 3.35Å; L408-D411 PolarHBondContact O-N 2.8Å; D411-G414 PolarHBondContact O-N 2.98Å; D411-K415 PolarHBondContact O-N 3.36Å
412	E	86.1	Confident	85.7	Confident	10 Å²	10	81.7 Å²	81.7	5%	0.047	41%	0.409	C	S	.	.	H	α-helix	trans	-67.7	-38.2	176.1	-72.3	-52.7	127.5	0	0	112.5	L408 A409 G414 K415 L416 L425 L435 N466 T468	L408-E412 WeakPolarHBondContact O-CG 3.39Å; L408-E412 PolarHBondContact O-N 3.42Å; A409-E412 PolarHBondContact O-N 3.03Å; E412-G414 VanDerWaalsContact C-N 3.26Å; E412-G414 PolarHBondContact O-N 3.26Å; E412-K415 PolarHBondContact O-N 2.93Å; E412-K415 VanDerWaalsContact O-N 3.12Å; E412-K415 IonicContact OE1-NZ 3.84Å; E412-K415 PolarHBondContact OE1-NZ 3.03Å; E412-L416 PolarHBondContact O-N 2.79Å; E412-L416 VanDerWaalsContact O-N 3.07Å; E412-L425 HydrophobicContact CG-CD1 4.48Å; E412-L435 HydrophobicContact CB-CD1 4.24Å; E412-N466 PolarHBondContact OE2-ND2 2.87Å; E412-T468 HydrophobicContact CG-CG2 4.28Å; E412-T468 WeakPolarHBondContact OE1-CB 3.37Å; E412-T468 PolarHBondContact OE1-OG1 3.36Å
413	L	87.2	Confident	85.5	Confident	32 Å²	32	79.2 Å²	79.2	17%	0.168	39%	0.393	C	S	.	.	H	α-helix	trans	-60.9	-40	173.7	-175.3	58.6	0	0	0	110.6	A409 E410 K415 L416 R417 C423	A409-L413 VanDerWaalsContact O-CB 3.3Å; A409-L413 WeakPolarHBondContact O-CB 3.25Å; A409-L413 PolarHBondContact O-N 3.49Å; E410-L413 PolarHBondContact O-N 2.92Å; L413-K415 PolarHBondContact O-N 2.91Å; L413-L416 PolarHBondContact O-N 3.5Å; L413-R417 HydrophobicContact CD1-CG 4.42Å; L413-R417 HydrophobicContact CG-CG 4.26Å; L413-R417 WeakPolarHBondContact O-CB 3.35Å; L413-R417 VanDerWaalsContact O-CG 3.25Å; L413-R417 WeakPolarHBondContact O-CG 3.46Å; L413-R417 PolarHBondContact O-N 3.32Å; L413-C423 VanDerWaalsContact CA-SG 3.51Å; L413-C423 VanDerWaalsContact CB-SG 3.55Å; L413-C423 PolarHBondContact N-SG 2.6Å
414	G	84.6	Confident	85.3	Confident	46 Å²	46	74.6 Å²	74.6	47%	0.474	37%	0.371	S	S	.	.	H	α-helix	trans	-55.8	-38.1	174.7	0	0	0	0	0	113.4	E410 D411 E412	E410-G414 PolarHBondContact O-N 2.84Å; D411-G414 PolarHBondContact O-N 2.98Å; E412-G414 VanDerWaalsContact C-N 3.26Å; E412-G414 PolarHBondContact O-N 3.26Å
415	K	83.2	Confident	85.4	Confident	142 Å²	142	73.2 Å²	73.2	62%	0.617	36%	0.364	S	S	*	.	H	α-helix	trans	-77	-29.4	178.4	-61.8	171.4	-168.6	167.4	0	113.3	D411 E412 L413	D411-K415 PolarHBondContact O-N 3.36Å; E412-K415 PolarHBondContact O-N 2.93Å; E412-K415 VanDerWaalsContact O-N 3.12Å; E412-K415 IonicContact OE1-NZ 3.84Å; E412-K415 PolarHBondContact OE1-NZ 3.03Å; L413-K415 PolarHBondContact O-N 2.91Å
416	L	81.2	Confident	85.4	Confident	24 Å²	24	74.9 Å²	74.9	13%	0.126	37%	0.372	C	S	.	.	H	α-helix	trans	-104.2	-1.8	-172.9	-65.2	171.6	0	0	0	114.2	E412 L413 E418 N419 I420 L435 L452	E412-L416 PolarHBondContact O-N 2.79Å; E412-L416 VanDerWaalsContact O-N 3.07Å; L413-L416 PolarHBondContact O-N 3.5Å; L416-E418 PolarHBondContact O-N 3.34Å; L416-N419 PolarHBondContact O-N 2.97Å; L416-I420 HydrophobicContact CB-CB 4.28Å; L416-I420 HydrophobicContact CB-CD1 4.16Å; L416-I420 HydrophobicContact CD1-CD1 4.13Å; L416-I420 PolarHBondContact O-N 3.25Å; L416-L435 HydrophobicContact CD1-CD2 3.59Å; L416-L452 HydrophobicContact CD1-CD1 4.38Å; L416-L452 HydrophobicContact CD2-CD1 4.42Å
417	R	76.2	Confident	85.4	Confident	182 Å²	182	72.8 Å²	72.8	69%	0.687	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.1	-23.1	-175.1	-106.2	174.1	-167.3	-177.2	6.2	115.5	L413 N419 I420	L413-R417 HydrophobicContact CD1-CG 4.42Å; L413-R417 HydrophobicContact CG-CG 4.26Å; L413-R417 WeakPolarHBondContact O-CB 3.35Å; L413-R417 VanDerWaalsContact O-CG 3.25Å; L413-R417 WeakPolarHBondContact O-CG 3.46Å; L413-R417 PolarHBondContact O-N 3.32Å; R417-N419 VanDerWaalsContact C-N 3.3Å; R417-I420 WeakPolarHBondContact CA-O 3.43Å
418	E	74.2	Confident	85.3	Confident	189 Å²	189	69.6 Å²	69.6	88%	0.883	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.8	-32.8	175.5	-65.6	-169.8	160.3	0	0	112.3	L416	L416-E418 PolarHBondContact O-N 3.34Å
419	N	73.2	Confident	85.1	Confident	79 Å²	79	71.1 Å²	71.1	42%	0.422	35%	0.351	S	S	.	.	T	Hydrogen-bonded Turn	trans	-113.6	-29.6	-174	-65.4	-24.2	0	0	0	113.1	L416 R417 I447 L449	L416-N419 PolarHBondContact O-N 2.97Å; R417-N419 VanDerWaalsContact C-N 3.3Å; N419-I447 HydrophobicContact CB-CD1 4.41Å; N419-I447 HydrophobicContact CB-CG2 3.83Å; N419-L449 HydrophobicContact CB-CD2 3.89Å
420	I	78.5	Confident	84.8	Confident	0 Å²	0	77.2 Å²	77.2	0%	0	38%	0.381	C	S	.	.			trans	-127.3	130	-168.3	-64	166.9	0	0	0	108.9	L416 R417 T422 C423 I437 E441 L449 L452	L416-I420 HydrophobicContact CB-CB 4.28Å; L416-I420 HydrophobicContact CB-CD1 4.16Å; L416-I420 HydrophobicContact CD1-CD1 4.13Å; L416-I420 PolarHBondContact O-N 3.25Å; R417-I420 WeakPolarHBondContact CA-O 3.43Å; I420-T422 WeakPolarHBondContact CG2-O 3.47Å; I420-C423 HydrophobicContact CG2-CB 4.27Å; I420-I437 HydrophobicContact CD1-CD1 3.48Å; I420-I437 VanDerWaalsContact CD1-CD1 3.48Å; I420-I437 HydrophobicContact CD1-CG1 4.12Å; I420-I437 HydrophobicContact CD1-CG2 4.14Å; I420-I437 HydrophobicContact CG1-CG2 4.24Å; I420-I437 HydrophobicContact CG2-CG1 4.43Å; I420-I437 HydrophobicContact CG2-CG2 3.83Å; I420-E441 WeakPolarHBondContact CA-OE2 3.4Å; I420-E441 WeakPolarHBondContact CG2-OE2 3.25Å; I420-L449 HydrophobicContact CD1-CD1 4Å; I420-L449 HydrophobicContact CD1-CD2 3.73Å; I420-L449 HydrophobicContact CG1-CD2 4.23Å; I420-L452 HydrophobicContact CD1-CD1 4.41Å
421	R	82	Confident	84.7	Confident	217 Å²	217	73.1 Å²	73.1	82%	0.819	37%	0.366	S	S	*	.	S	Bend	trans	-88	-31.5	179.5	-60.5	-178.9	-179.1	-176	1.3	112.2	E441	R421-E441 PolarHBondContact N-OE2 3.02Å
422	T	83.8	Confident	84.7	Confident	74 Å²	74	69 Å²	69	45%	0.454	35%	0.346	S	S	.	.			trans	-140.1	131.2	-179.8	58.9	0	0	0	0	111.5	I420 P438 E441	I420-T422 WeakPolarHBondContact CG2-O 3.47Å; T422-P438 VanDerWaalsContact O-CD 3.25Å; T422-P438 WeakPolarHBondContact O-CD 3.41Å; T422-P438 VanDerWaalsContact OG1-CG 3.32Å; T422-P438 WeakPolarHBondContact OG1-CG 3.49Å; T422-E441 PolarHBondContact N-OE2 2.97Å; T422-E441 PolarHBondContact OG1-OE1 3.37Å; T422-E441 VanDerWaalsContact OG1-OE1 3.14Å
423	C	86.4	Confident	85.1	Confident	23 Å²	23	68.5 Å²	68.5	16%	0.155	34%	0.344	C	S	.	.			trans	-140.4	157.7	169.1	68.1	0	0	0	0	110.1	L413 I420 L435 K436 I437	L413-C423 VanDerWaalsContact CA-SG 3.51Å; L413-C423 VanDerWaalsContact CB-SG 3.55Å; L413-C423 PolarHBondContact N-SG 2.6Å; I420-C423 HydrophobicContact CG2-CB 4.27Å; C423-L435 HydrophobicContact CB-CD1 3.94Å; C423-L435 HydrophobicContact CB-CG 4.45Å; C423-K436 WeakPolarHBondContact CA-O 3.24Å; C423-I437 HydrophobicContact CB-CG1 4.09Å
424	G	89.1	Confident	85.4	Confident	11 Å²	11	67 Å²	67	11%	0.113	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	158.2	170.5	0	0	0	0	0	110.6	L435 K436	G424-L435 CarbonylContact O-C 3.56Å; G424-L435 WeakPolarHBondContact O-CA 3.43Å; G424-K436 PolarHBondContact N-O 2.81Å; G424-K436 VanDerWaalsContact O-CG 3.25Å; G424-K436 WeakPolarHBondContact O-CG 3.37Å; G424-K436 PolarHBondContact O-N 3.37Å
425	L	92.1	Very high	85.7	Confident	14 Å²	14	64.8 Å²	64.8	7%	0.073	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	138.2	165.2	-72.5	167.6	0	0	0	108.9	L405 L408 A409 E412 L434 L435 T469 L472	L405-L425 HydrophobicContact CB-CB 4.08Å; L405-L425 HydrophobicContact CD2-CB 3.91Å; L408-L425 HydrophobicContact CB-CD1 3.45Å; L408-L425 VanDerWaalsContact CB-CD1 3.45Å; A409-L425 HydrophobicContact CB-CB 4.35Å; A409-L425 HydrophobicContact CB-CD1 4.46Å; A409-L425 HydrophobicContact CB-CG 4.27Å; E412-L425 HydrophobicContact CG-CD1 4.48Å; L425-L434 WeakPolarHBondContact CA-O 3.31Å; L425-L435 HydrophobicContact CD2-CB 4.26Å; L425-L435 HydrophobicContact CD2-CD1 3.98Å; L425-L435 HydrophobicContact CG-CD1 4.34Å; L425-T469 HydrophobicContact CD2-CG2 3.67Å; L425-L472 HydrophobicContact CD1-CD1 4.38Å
426	I	92	Very high	86.1	Confident	47 Å²	47	61.8 Å²	61.8	24%	0.241	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	148.9	176.8	-169.8	163.6	0	0	0	109.1	F428 Y433 L434 K436 Y463	I426-F428 HydrophobicContact CB-CE2 4.49Å; I426-F428 HydrophobicContact CD1-CE1 4.36Å; I426-F428 HydrophobicContact CD1-CE2 4.18Å; I426-F428 HydrophobicContact CD1-CZ 3.9Å; I426-F428 HydrophobicContact CG1-CE2 4.28Å; I426-F428 HydrophobicContact CG1-CZ 4.44Å; I426-F428 HydrophobicContact CG2-CD2 3.89Å; I426-F428 HydrophobicContact CG2-CE2 3.44Å; I426-F428 VanDerWaalsContact CG2-CE2 3.44Å; I426-F428 HydrophobicContact CG2-CZ 4.23Å; I426-Y433 CarbonylContact O-C 3.56Å; I426-Y433 WeakPolarHBondContact O-CA 3.36Å; I426-L434 HydrophobicContact CG2-CB 4.29Å; I426-L434 PolarHBondContact N-O 3.44Å; I426-L434 PolarHBondContact O-N 2.85Å; I426-K436 HydrophobicContact CB-CD 4.48Å; I426-K436 HydrophobicContact CG2-CB 4.44Å; I426-Y463 HydrophobicContact CG2-CD1 4.11Å; I426-Y463 HydrophobicContact CG2-CE1 3.9Å
427	Y	91.2	Very high	86.5	Confident	24 Å²	24	60.7 Å²	60.7	9%	0.094	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	126.2	172.9	164.1	-112.7	0	0	0	109.2	Y398 L401 P429 Y433 D478 V479 M480	Y398-Y427 HydrophobicContact CE2-CD1 4.3Å; Y398-Y427 HydrophobicContact CE2-CE1 4.1Å; L401-Y427 HydrophobicContact CD2-CD1 3.79Å; L401-Y427 HydrophobicContact CD2-CE1 4.44Å; L401-Y427 HydrophobicContact CD2-CG 3.95Å; Y427-P429 HydrophobicContact CE1-CG 4.17Å; Y427-Y433 HydrophobicContact CD2-CD1 4.11Å; Y427-Y433 HydrophobicContact CD2-CD2 4.43Å; Y427-Y433 AromaticContact CD2-CE1 3.78Å; Y427-Y433 HydrophobicContact CD2-CE1 3.78Å; Y427-Y433 HydrophobicContact CD2-CE2 4.1Å; Y427-Y433 HydrophobicContact CD2-CG 4.42Å; Y427-Y433 AromaticContact CD2-CZ 3.75Å; Y427-Y433 HydrophobicContact CG-CD1 4.3Å; Y427-Y433 AromaticContact CG-CE1 3.91Å; Y427-Y433 HydrophobicContact CG-CE1 3.91Å; Y427-D478 PolarHBondContact OH-OD1 3.39Å; Y427-V479 PolarHBondContact OH-N 3.05Å; Y427-M480 HydrophobicContact CE1-CB 4.07Å; Y427-M480 HydrophobicContact CE1-CG 3.65Å; Y427-M480 WeakPolarHBondContact OH-CB 3.27Å; Y427-M480 PolarHBondContact OH-N 3.13Å
428	F	89	Confident	87.1	Confident	56 Å²	56	53.1 Å²	53.1	25%	0.246	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	120.5	171.2	-74.5	-75.1	0	0	0	109.3	I426 L430 V431 G432 L434 F456 Y463	I426-F428 HydrophobicContact CB-CE2 4.49Å; I426-F428 HydrophobicContact CD1-CE1 4.36Å; I426-F428 HydrophobicContact CD1-CE2 4.18Å; I426-F428 HydrophobicContact CD1-CZ 3.9Å; I426-F428 HydrophobicContact CG1-CE2 4.28Å; I426-F428 HydrophobicContact CG1-CZ 4.44Å; I426-F428 HydrophobicContact CG2-CD2 3.89Å; I426-F428 HydrophobicContact CG2-CE2 3.44Å; I426-F428 VanDerWaalsContact CG2-CE2 3.44Å; I426-F428 HydrophobicContact CG2-CZ 4.23Å; F428-L430 PolarHBondContact O-N 2.93Å; F428-V431 HydrophobicContact CB-CB 3.94Å; F428-V431 HydrophobicContact CB-CG2 4.33Å; F428-V431 PolarHBondContact O-N 3.44Å; F428-V431 VanDerWaalsContact O-N 3.16Å; F428-G432 PolarHBondContact N-O 2.92Å; F428-G432 PolarHBondContact O-N 3.28Å; F428-L434 HydrophobicContact CD2-CD1 3.64Å; F428-L434 HydrophobicContact CD2-CG 4.38Å; F428-L434 HydrophobicContact CE2-CD1 4.07Å; F428-F456 HydrophobicContact CD2-CZ 4.38Å; F428-F456 HydrophobicContact CE2-CZ 4.11Å; F428-F456 HydrophobicContact CZ-CZ 4.49Å; F428-Y463 AromaticContact CE2-CD1 3.71Å; F428-Y463 HydrophobicContact CE2-CD1 3.71Å; F428-Y463 AromaticContact CE2-CE1 3.42Å; F428-Y463 HydrophobicContact CE2-CE1 3.42Å; F428-Y463 VanDerWaalsContact CE2-CE1 3.42Å; F428-Y463 HydrophobicContact CZ-CD1 4.41Å; F428-Y463 AromaticContact CZ-CE1 3.72Å; F428-Y463 HydrophobicContact CZ-CE1 3.72Å; F428-Y463 AromaticContact CZ-CZ 3.92Å
429	P	86.7	Confident	87.5	Confident	71 Å²	71	46.4 Å²	46.4	46%	0.461	24%	0.237	S	C	.	.	T	Hydrogen-bonded Turn	trans	-51.1	141.5	173.2	-26.7	35	0	0	0	111.6	Y427 V431 M480	Y427-P429 HydrophobicContact CE1-CG 4.17Å; P429-V431 PolarHBondContact O-N 3.46Å; P429-M480 HydrophobicContact CG-CB 4.26Å; P429-M480 HydrophobicContact CG-CG 4.4Å
430	L	85.3	Confident	87.9	Confident	140 Å²	140	48 Å²	48	73%	0.733	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.4	-17.7	-175.3	-54.8	171.8	0	0	0	116.8	F428 D478 Y481	F428-L430 PolarHBondContact O-N 2.93Å; L430-D478 VanDerWaalsContact CA-OD2 3.28Å; L430-D478 WeakPolarHBondContact CA-OD2 3.33Å; L430-D478 PolarHBondContact N-OD2 3.4Å; L430-Y481 HydrophobicContact CD2-CD2 4.02Å
431	V	87.5	Confident	87.8	Confident	58 Å²	58	49.7 Å²	49.7	35%	0.352	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-36.3	179.2	-177	0	0	0	0	111.8	F428 P429 L434 F456 R465	F428-V431 HydrophobicContact CB-CB 3.94Å; F428-V431 HydrophobicContact CB-CG2 4.33Å; F428-V431 PolarHBondContact O-N 3.44Å; F428-V431 VanDerWaalsContact O-N 3.16Å; P429-V431 PolarHBondContact O-N 3.46Å; V431-L434 HydrophobicContact CG1-CD1 3.93Å; V431-F456 HydrophobicContact CG1-CE1 4.3Å; V431-R465 PolarHBondContact O-NH2 3.4Å
432	G	89.2	Confident	87.3	Confident	10 Å²	10	40.5 Å²	40.5	10%	0.103	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	107.4	-164	-178.3	0	0	0	0	0	113.9	F428 D473	F428-G432 PolarHBondContact N-O 2.92Å; F428-G432 PolarHBondContact O-N 3.28Å; G432-D473 WeakPolarHBondContact CA-OD1 3.49Å
433	Y	94	Very high	86.3	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	136.6	176.1	-60.6	-88.1	0	0	0	110.4	L401 L405 I426 Y427 T469 L472 D473 Y476	L401-Y433 HydrophobicContact CD1-CE1 3.8Å; L401-Y433 HydrophobicContact CD2-CE1 3.92Å; L401-Y433 HydrophobicContact CG-CE1 4.13Å; L405-Y433 HydrophobicContact CD1-CD1 4.42Å; L405-Y433 HydrophobicContact CD1-CE1 4.45Å; L405-Y433 HydrophobicContact CD2-CD1 3.63Å; L405-Y433 HydrophobicContact CD2-CE1 4Å; I426-Y433 CarbonylContact O-C 3.56Å; I426-Y433 WeakPolarHBondContact O-CA 3.36Å; Y427-Y433 HydrophobicContact CD2-CD1 4.11Å; Y427-Y433 HydrophobicContact CD2-CD2 4.43Å; Y427-Y433 AromaticContact CD2-CE1 3.78Å; Y427-Y433 HydrophobicContact CD2-CE1 3.78Å; Y427-Y433 HydrophobicContact CD2-CE2 4.1Å; Y427-Y433 HydrophobicContact CD2-CG 4.42Å; Y427-Y433 AromaticContact CD2-CZ 3.75Å; Y427-Y433 HydrophobicContact CG-CD1 4.3Å; Y427-Y433 AromaticContact CG-CE1 3.91Å; Y427-Y433 HydrophobicContact CG-CE1 3.91Å; Y433-T469 VanDerWaalsContact O-CB 3.25Å; Y433-T469 WeakPolarHBondContact O-CB 3.43Å; Y433-L472 HydrophobicContact CD1-CB 4.17Å; Y433-L472 HydrophobicContact CD1-CD1 4.19Å; Y433-L472 HydrophobicContact CD2-CB 3.52Å; Y433-L472 HydrophobicContact CE2-CB 4.07Å; Y433-L472 HydrophobicContact CG-CB 3.61Å; Y433-L472 HydrophobicContact CG-CD1 4.19Å; Y433-D473 WeakPolarHBondContact CD2-OD1 3.26Å; Y433-D473 PolarHBondContact N-OD1 3.24Å; Y433-Y476 WeakPolarHBondContact OH-CB 3.46Å
434	L	93.2	Very high	85	Confident	0 Å²	0	46.1 Å²	46.1	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	146	-178.5	-60.4	175.8	0	0	0	110.8	L425 I426 F428 V431 A455 F456 Y463 R465	L425-L434 WeakPolarHBondContact CA-O 3.31Å; I426-L434 HydrophobicContact CG2-CB 4.29Å; I426-L434 PolarHBondContact N-O 3.44Å; I426-L434 PolarHBondContact O-N 2.85Å; F428-L434 HydrophobicContact CD2-CD1 3.64Å; F428-L434 HydrophobicContact CD2-CG 4.38Å; F428-L434 HydrophobicContact CE2-CD1 4.07Å; V431-L434 HydrophobicContact CG1-CD1 3.93Å; L434-A455 HydrophobicContact CD2-CB 4.07Å; L434-F456 HydrophobicContact CD1-CD1 4.42Å; L434-F456 HydrophobicContact CD1-CE1 3.45Å; L434-F456 VanDerWaalsContact CD1-CE1 3.45Å; L434-F456 HydrophobicContact CD1-CZ 3.87Å; L434-Y463 HydrophobicContact CB-CD1 4.24Å; L434-Y463 HydrophobicContact CD1-CD1 4.25Å; L434-Y463 HydrophobicContact CD1-CG 4.31Å; L434-R465 HydrophobicContact CD2-CG 3.57Å
435	L	91.8	Very high	83.1	Confident	0 Å²	0	51.8 Å²	51.8	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	117.3	166.4	-173.6	73.3	0	0	0	108.5	E412 L416 C423 G424 L425 I437 L452 Y463 Y464 T469	E412-L435 HydrophobicContact CB-CD1 4.24Å; L416-L435 HydrophobicContact CD1-CD2 3.59Å; C423-L435 HydrophobicContact CB-CD1 3.94Å; C423-L435 HydrophobicContact CB-CG 4.45Å; G424-L435 CarbonylContact O-C 3.56Å; G424-L435 WeakPolarHBondContact O-CA 3.43Å; L425-L435 HydrophobicContact CD2-CB 4.26Å; L425-L435 HydrophobicContact CD2-CD1 3.98Å; L425-L435 HydrophobicContact CG-CD1 4.34Å; L435-I437 HydrophobicContact CD2-CD1 3.72Å; L435-I437 HydrophobicContact CD2-CG1 4.21Å; L435-I437 HydrophobicContact CG-CD1 4.16Å; L435-I437 HydrophobicContact CG-CG1 4.16Å; L435-L452 HydrophobicContact CD2-CD1 4.19Å; L435-L452 HydrophobicContact CD2-CD2 3.78Å; L435-Y463 CarbonylContact O-C 3.57Å; L435-Y463 WeakPolarHBondContact O-CA 3.42Å; L435-Y464 PolarHBondContact N-O 3.38Å; L435-Y464 PolarHBondContact O-N 2.77Å; L435-T469 HydrophobicContact CB-CG2 4.48Å
436	K	91.6	Very high	81.1	Confident	79 Å²	79	58.4 Å²	58.4	34%	0.343	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.9	130.8	173.3	62.5	172.3	-176.9	-177.8	0	110.4	C423 G424 I426 Y463	C423-K436 WeakPolarHBondContact CA-O 3.24Å; G424-K436 PolarHBondContact N-O 2.81Å; G424-K436 VanDerWaalsContact O-CG 3.25Å; G424-K436 WeakPolarHBondContact O-CG 3.37Å; G424-K436 PolarHBondContact O-N 3.37Å; I426-K436 HydrophobicContact CB-CD 4.48Å; I426-K436 HydrophobicContact CG2-CB 4.44Å; K436-Y463 HydrophobicContact CB-CD1 3.79Å; K436-Y463 HydrophobicContact CB-CE1 3.6Å
437	I	89.5	Confident	79.3	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.6	179.8	-60.6	159.2	0	0	0	108.1	I420 C423 L435 K439 E441 V442 L452 A462 Y464	I420-I437 HydrophobicContact CD1-CD1 3.48Å; I420-I437 VanDerWaalsContact CD1-CD1 3.48Å; I420-I437 HydrophobicContact CD1-CG1 4.12Å; I420-I437 HydrophobicContact CD1-CG2 4.14Å; I420-I437 HydrophobicContact CG1-CG2 4.24Å; I420-I437 HydrophobicContact CG2-CG1 4.43Å; I420-I437 HydrophobicContact CG2-CG2 3.83Å; C423-I437 HydrophobicContact CB-CG1 4.09Å; L435-I437 HydrophobicContact CD2-CD1 3.72Å; L435-I437 HydrophobicContact CD2-CG1 4.21Å; L435-I437 HydrophobicContact CG-CD1 4.16Å; L435-I437 HydrophobicContact CG-CG1 4.16Å; I437-K439 PolarHBondContact O-N 3.03Å; I437-E441 HydrophobicContact CG2-CB 4.23Å; I437-V442 HydrophobicContact CB-CG2 4.09Å; I437-V442 HydrophobicContact CG2-CG2 3.49Å; I437-V442 VanDerWaalsContact CG2-CG2 3.49Å; I437-L452 HydrophobicContact CD1-CD1 3.87Å; I437-A462 PolarHBondContact N-O 3.16Å; I437-A462 PolarHBondContact O-N 3.43Å; I437-Y464 HydrophobicContact CD1-CD2 3.76Å; I437-Y464 HydrophobicContact CD1-CE2 4.16Å
438	P	88.3	Confident	77.7	Confident	24 Å²	24	65.6 Å²	65.6	16%	0.156	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-59.9	135.2	174.2	-21.6	32.8	0	0	0	111.9	T422 V440 E441 E460 M461	T422-P438 VanDerWaalsContact O-CD 3.25Å; T422-P438 WeakPolarHBondContact O-CD 3.41Å; T422-P438 VanDerWaalsContact OG1-CG 3.32Å; T422-P438 WeakPolarHBondContact OG1-CG 3.49Å; P438-V440 PolarHBondContact O-N 2.83Å; P438-E441 HydrophobicContact CB-CG 4.37Å; P438-E441 PolarHBondContact O-N 2.75Å; P438-E460 WeakPolarHBondContact CA-O 3.31Å; P438-M461 HydrophobicContact CB-SD 4.39Å; P438-M461 HydrophobicContact CG-CE 4.42Å; P438-M461 HydrophobicContact CG-SD 4.24Å
439	K	83.6	Confident	76.5	Confident	48 Å²	48	63.9 Å²	63.9	21%	0.209	35%	0.346	C	S	.	.	H	α-helix	trans	-54.7	-38.8	-178.7	-77.1	-178.6	176.3	-179.2	0	113.5	I437 E441 V442 E443 N459 E460 A462	I437-K439 PolarHBondContact O-N 3.03Å; K439-E441 PolarHBondContact O-N 2.93Å; K439-E441 VanDerWaalsContact O-N 3.13Å; K439-V442 PolarHBondContact O-N 3.2Å; K439-E443 WeakPolarHBondContact O-CG 3.12Å; K439-E443 PolarHBondContact O-N 3.29Å; K439-N459 WeakPolarHBondContact CD-O 3.2Å; K439-N459 WeakPolarHBondContact CE-O 3.19Å; K439-N459 PolarHBondContact NZ-O 2.71Å; K439-E460 PolarHBondContact N-O 3.17Å; K439-A462 HydrophobicContact CG-CB 4.27Å
440	V	81.6	Confident	75.6	Confident	111 Å²	111	65.9 Å²	65.9	67%	0.673	36%	0.362	S	S	*	.	H	α-helix	trans	-57.1	-30	-179.9	-172.3	0	0	0	0	111.9	P438	P438-V440 PolarHBondContact O-N 2.83Å
441	E	76.4	Confident	75.2	Confident	36 Å²	36	62.2 Å²	62.2	17%	0.168	36%	0.357	C	S	.	.	H	α-helix	trans	-81.9	-20.1	179	-60.3	-173.2	-163.8	0	0	112.4	I420 R421 T422 I437 P438 K439 I447	I420-E441 WeakPolarHBondContact CA-OE2 3.4Å; I420-E441 WeakPolarHBondContact CG2-OE2 3.25Å; R421-E441 PolarHBondContact N-OE2 3.02Å; T422-E441 PolarHBondContact N-OE2 2.97Å; T422-E441 PolarHBondContact OG1-OE1 3.37Å; T422-E441 VanDerWaalsContact OG1-OE1 3.14Å; I437-E441 HydrophobicContact CG2-CB 4.23Å; P438-E441 HydrophobicContact CB-CG 4.37Å; P438-E441 PolarHBondContact O-N 2.75Å; K439-E441 PolarHBondContact O-N 2.93Å; K439-E441 VanDerWaalsContact O-N 3.13Å; E441-I447 WeakPolarHBondContact O-CD1 3.46Å
442	V	71.1	Confident	75	Confident	25 Å²	25	60.6 Å²	60.6	15%	0.152	35%	0.347	C	S	.	.	H	α-helix	trans	-107.9	-21.4	-175.9	-162.3	0	0	0	0	114.1	I437 K439 T444 L449 Y464	I437-V442 HydrophobicContact CB-CG2 4.09Å; I437-V442 HydrophobicContact CG2-CG2 3.49Å; I437-V442 VanDerWaalsContact CG2-CG2 3.49Å; K439-V442 PolarHBondContact O-N 3.2Å; V442-T444 PolarHBondContact O-N 3.46Å; V442-T444 VanDerWaalsContact O-N 3.09Å; V442-L449 HydrophobicContact CG1-CD1 3.72Å; V442-L449 HydrophobicContact CG2-CD1 4.28Å; V442-Y464 HydrophobicContact CG1-CE2 4.38Å; V442-Y464 WeakPolarHBondContact CG1-OH 3.32Å; V442-Y464 HydrophobicContact CG2-CE2 4.18Å
443	E	62.9	Low	74.8	Confident	152 Å²	152	64.8 Å²	64.8	71%	0.71	36%	0.364	S	S	*	.			trans	-70.5	1.5	177.7	-76.8	-179.9	180	0	0	114.1	K439	K439-E443 WeakPolarHBondContact O-CG 3.12Å; K439-E443 PolarHBondContact O-N 3.29Å
444	T	58.4	Low	74.4	Confident	63 Å²	63	70.1 Å²	70.1	39%	0.387	39%	0.387	S	S	.	.	S	Bend	trans	-78.5	128.2	177.6	50.7	0	0	0	0	110.7	V442 D446 I447	V442-T444 PolarHBondContact O-N 3.46Å; V442-T444 VanDerWaalsContact O-N 3.09Å; T444-D446 PolarHBondContact O-N 3.22Å; T444-I447 PolarHBondContact O-N 2.97Å; T444-I447 WeakPolarHBondContact OG1-CD1 3.27Å; T444-I447 WeakPolarHBondContact OG1-CG1 3.3Å
445	P	51	Low	74.2	Confident	129 Å²	129	71.9 Å²	71.9	84%	0.838	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-16.6	-167.3	21.4	-32.1	0	0	0	115.2
446	D	49.6	Very low	74.1	Confident	154 Å²	154	75.1 Å²	75.1	82%	0.824	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.6	-8.3	-174	-64.3	-32.3	0	0	0	114	T444 Q448	T444-D446 PolarHBondContact O-N 3.22Å; D446-Q448 PolarHBondContact O-N 3.2Å
447	I	53.4	Low	73.9	Confident	41 Å²	41	74.7 Å²	74.7	21%	0.21	42%	0.42	C	S	.	.			trans	-93.7	83	-173.3	-47.9	-175.7	0	0	0	110.8	N419 E441 T444 L449	N419-I447 HydrophobicContact CB-CD1 4.41Å; N419-I447 HydrophobicContact CB-CG2 3.83Å; E441-I447 WeakPolarHBondContact O-CD1 3.46Å; T444-I447 PolarHBondContact O-N 2.97Å; T444-I447 WeakPolarHBondContact OG1-CD1 3.27Å; T444-I447 WeakPolarHBondContact OG1-CG1 3.3Å; I447-L449 VanDerWaalsContact C-N 3.29Å; I447-L449 HydrophobicContact CG2-CD1 4.32Å; I447-L449 HydrophobicContact CG2-CD2 3.35Å; I447-L449 HydrophobicContact CG2-CG 3.49Å; I447-L449 VanDerWaalsContact CG2-CG 3.49Å; I447-L449 PolarHBondContact O-N 3.4Å
448	Q	56.8	Low	73.8	Confident	180 Å²	180	78.4 Å²	78.4	84%	0.841	44%	0.44	S	S	*	.			trans	-76.8	85.3	164.4	-152.7	162	16.5	0	0	108.6	D446 S450	D446-Q448 PolarHBondContact O-N 3.2Å; Q448-S450 VanDerWaalsContact C-N 3.31Å; Q448-S450 PolarHBondContact O-N 2.89Å; Q448-S450 PolarHBondContact O-OG 3.02Å
449	L	65.3	Low	73.7	Confident	20 Å²	20	83.4 Å²	83.4	11%	0.105	47%	0.465	C	S	.	.			trans	-63.9	89.5	-179.6	-67.5	164.9	0	0	0	110.3	N419 I420 V442 I447 G451 L452	N419-L449 HydrophobicContact CB-CD2 3.89Å; I420-L449 HydrophobicContact CD1-CD1 4Å; I420-L449 HydrophobicContact CD1-CD2 3.73Å; I420-L449 HydrophobicContact CG1-CD2 4.23Å; V442-L449 HydrophobicContact CG1-CD1 3.72Å; V442-L449 HydrophobicContact CG2-CD1 4.28Å; I447-L449 VanDerWaalsContact C-N 3.29Å; I447-L449 HydrophobicContact CG2-CD1 4.32Å; I447-L449 HydrophobicContact CG2-CD2 3.35Å; I447-L449 HydrophobicContact CG2-CG 3.49Å; I447-L449 VanDerWaalsContact CG2-CG 3.49Å; I447-L449 PolarHBondContact O-N 3.4Å; L449-G451 PolarHBondContact O-N 3.32Å; L449-L452 HydrophobicContact CB-CB 4.02Å; L449-L452 HydrophobicContact CB-CD1 3.67Å; L449-L452 HydrophobicContact CB-CG 3.99Å; L449-L452 HydrophobicContact CD1-CD1 3.7Å; L449-L452 HydrophobicContact CD2-CD1 4.25Å; L449-L452 HydrophobicContact CG-CD1 4.04Å; L449-L452 PolarHBondContact O-N 3.18Å
450	S	68	Low	73.8	Confident	114 Å²	114	88 Å²	88	80%	0.797	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.1	123.3	-178.2	-67.7	0	0	0	0	110.3	Q448	Q448-S450 VanDerWaalsContact C-N 3.31Å; Q448-S450 PolarHBondContact O-N 2.89Å; Q448-S450 PolarHBondContact O-OG 3.02Å
451	G	75.8	Confident	74.2	Confident	62 Å²	62	86 Å²	86	64%	0.639	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.7	-4	-179.6	0	0	0	0	0	115.7	L449	L449-G451 PolarHBondContact O-N 3.32Å
452	L	83.2	Confident	74.8	Confident	25 Å²	25	84.4 Å²	84.4	13%	0.131	47%	0.465	C	S	.	.	P	Polyproline II helix	trans	-98	119.5	172.6	-60.2	-172.2	0	0	0	110.7	L416 I420 L435 I437 L449 Y464 N466	L416-L452 HydrophobicContact CD1-CD1 4.38Å; L416-L452 HydrophobicContact CD2-CD1 4.42Å; I420-L452 HydrophobicContact CD1-CD1 4.41Å; L435-L452 HydrophobicContact CD2-CD1 4.19Å; L435-L452 HydrophobicContact CD2-CD2 3.78Å; I437-L452 HydrophobicContact CD1-CD1 3.87Å; L449-L452 HydrophobicContact CB-CB 4.02Å; L449-L452 HydrophobicContact CB-CD1 3.67Å; L449-L452 HydrophobicContact CB-CG 3.99Å; L449-L452 HydrophobicContact CD1-CD1 3.7Å; L449-L452 HydrophobicContact CD2-CD1 4.25Å; L449-L452 HydrophobicContact CG-CD1 4.04Å; L449-L452 PolarHBondContact O-N 3.18Å; L452-Y464 HydrophobicContact CB-CD1 3.8Å; L452-Y464 HydrophobicContact CB-CG 4.2Å; L452-Y464 HydrophobicContact CD1-CG 4.43Å; L452-N466 HydrophobicContact CD2-CB 3.54Å
453	E	85.5	Confident	75.7	Confident	97 Å²	97	84.1 Å²	84.1	45%	0.453	46%	0.461	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.7	119.3	173.6	-177.8	-176	176	0	0	109	A455 Y464 R465 R470	E453-A455 PolarHBondContact O-N 2.92Å; E453-Y464 CarbonylContact O-C 3.51Å; E453-Y464 VanDerWaalsContact O-CA 3.25Å; E453-Y464 WeakPolarHBondContact O-CA 3.46Å; E453-R465 HydrophobicContact CB-CB 4.3Å; E453-R465 PolarHBondContact N-O 3.37Å; E453-R465 PolarHBondContact O-N 3.18Å; E453-R470 IonicContact OE2-CZ 3.77Å; E453-R470 IonicContact OE2-NH2 2.97Å; E453-R470 PolarHBondContact OE2-NH2 2.86Å
454	F	86.7	Confident	77	Confident	112 Å²	112	78 Å²	78	49%	0.491	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	128.4	179.4	177.3	-101.9	0	0	0	111.4	T457 Y464	F454-T457 HydrophobicContact CE2-CG2 3.71Å; F454-T457 HydrophobicContact CZ-CG2 3.84Å; F454-Y464 HydrophobicContact CB-CD1 4.17Å; F454-Y464 HydrophobicContact CB-CE1 3.85Å; F454-Y464 HydrophobicContact CD2-CD1 4.44Å; F454-Y464 AromaticContact CD2-CE1 3.74Å; F454-Y464 HydrophobicContact CD2-CE1 3.74Å; F454-Y464 AromaticContact CD2-CZ 3.77Å; F454-Y464 HydrophobicContact CG-CE1 4.31Å
455	A	87.1	Confident	78.5	Confident	37 Å²	37	79 Å²	79	31%	0.306	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	-65.5	175.7	0	0	0	0	0	111.4	L434 E453 Y463	L434-A455 HydrophobicContact CD2-CB 4.07Å; E453-A455 PolarHBondContact O-N 2.92Å; A455-Y463 WeakPolarHBondContact CB-O 3.16Å; A455-Y463 PolarHBondContact N-O 3.31Å
456	F	90.7	Very high	80.3	Confident	69 Å²	69	73.2 Å²	73.2	30%	0.303	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-163.4	174.2	176.9	61.8	-88.8	0	0	0	110.7	F428 V431 L434 D458 Y463	F428-F456 HydrophobicContact CD2-CZ 4.38Å; F428-F456 HydrophobicContact CE2-CZ 4.11Å; F428-F456 HydrophobicContact CZ-CZ 4.49Å; V431-F456 HydrophobicContact CG1-CE1 4.3Å; L434-F456 HydrophobicContact CD1-CD1 4.42Å; L434-F456 HydrophobicContact CD1-CE1 3.45Å; L434-F456 VanDerWaalsContact CD1-CE1 3.45Å; L434-F456 HydrophobicContact CD1-CZ 3.87Å; F456-D458 HydrophobicContact CD2-CB 4.41Å; F456-D458 HydrophobicContact CE2-CB 4.23Å; F456-Y463 AromaticContact CD2-CD2 3.66Å; F456-Y463 HydrophobicContact CD2-CD2 3.66Å; F456-Y463 HydrophobicContact CD2-CE2 4.26Å; F456-Y463 HydrophobicContact CD2-CG 4.38Å; F456-Y463 HydrophobicContact CE1-CG 4.41Å; F456-Y463 AromaticContact CE2-CD2 3.29Å; F456-Y463 HydrophobicContact CE2-CD2 3.29Å; F456-Y463 AromaticContact CE2-CE2 3.64Å; F456-Y463 HydrophobicContact CE2-CE2 3.64Å; F456-Y463 AromaticContact CE2-CG 3.87Å; F456-Y463 HydrophobicContact CE2-CG 3.87Å; F456-Y463 HydrophobicContact CG-CD2 4.43Å; F456-Y463 HydrophobicContact CZ-CD1 4.46Å; F456-Y463 AromaticContact CZ-CD2 3.8Å; F456-Y463 HydrophobicContact CZ-CD2 3.8Å; F456-Y463 HydrophobicContact CZ-CE2 4.3Å; F456-Y463 AromaticContact CZ-CG 3.88Å; F456-Y463 HydrophobicContact CZ-CG 3.88Å; F456-Y463 PolarHBondContact N-O 2.94Å; F456-Y463 PolarHBondContact O-N 3.38Å
457	T	86.8	Confident	82.2	Confident	69 Å²	69	71.5 Å²	71.5	42%	0.423	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	138.2	170.1	51.5	0	0	0	0	110.8	F454 M461 A462	F454-T457 HydrophobicContact CE2-CG2 3.71Å; F454-T457 HydrophobicContact CZ-CG2 3.84Å; T457-M461 WeakPolarHBondContact CA-O 3.08Å; T457-A462 HydrophobicContact CG2-CB 3.95Å
458	D	86.9	Confident	83.9	Confident	79 Å²	79	70.6 Å²	70.6	42%	0.422	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-135	132.8	169.8	-179.4	37.6	0	0	0	109.9	F456 E460 M461 Y463	F456-D458 HydrophobicContact CD2-CB 4.41Å; F456-D458 HydrophobicContact CE2-CB 4.23Å; D458-E460 PolarHBondContact O-N 3.34Å; D458-M461 PolarHBondContact N-O 2.96Å; D458-M461 PolarHBondContact O-N 2.75Å; D458-Y463 HydrophobicContact CB-CE2 3.89Å
459	N	86.2	Confident	85.6	Confident	128 Å²	128	62 Å²	62	68%	0.684	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	-121	-174.8	-60.6	-55.6	0	0	0	112.9	K439	K439-N459 WeakPolarHBondContact CD-O 3.2Å; K439-N459 WeakPolarHBondContact CE-O 3.19Å; K439-N459 PolarHBondContact NZ-O 2.71Å
460	E	87	Confident	86.8	Confident	144 Å²	144	65.2 Å²	65.2	67%	0.673	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	12.8	177.9	-59.1	-147.7	157.7	0	0	113.5	P438 K439 D458	P438-E460 WeakPolarHBondContact CA-O 3.31Å; K439-E460 PolarHBondContact N-O 3.17Å; D458-E460 PolarHBondContact O-N 3.34Å
461	M	89.2	Confident	88	Confident	71 Å²	71	63.7 Å²	63.7	35%	0.35	33%	0.326	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	141.8	-177.6	-62.1	-68.2	167	0	0	111.5	P438 T457 D458 Y463	P438-M461 HydrophobicContact CB-SD 4.39Å; P438-M461 HydrophobicContact CG-CE 4.42Å; P438-M461 HydrophobicContact CG-SD 4.24Å; T457-M461 WeakPolarHBondContact CA-O 3.08Å; D458-M461 PolarHBondContact N-O 2.96Å; D458-M461 PolarHBondContact O-N 2.75Å; M461-Y463 HydrophobicContact CB-CE2 3.92Å
462	A	88.4	Confident	88.7	Confident	2 Å²	2	61.1 Å²	61.1	2%	0.017	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111	135.8	169.6	0	0	0	0	0	109.1	I437 K439 T457 Y464	I437-A462 PolarHBondContact N-O 3.16Å; I437-A462 PolarHBondContact O-N 3.43Å; K439-A462 HydrophobicContact CG-CB 4.27Å; T457-A462 HydrophobicContact CG2-CB 3.95Å; A462-Y464 HydrophobicContact CB-CD2 4.45Å; A462-Y464 HydrophobicContact CB-CE2 3.52Å
463	Y	90.8	Very high	89	Confident	19 Å²	19	62 Å²	62	8%	0.075	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	132.2	-175.2	-61.3	-89.2	0	0	0	110.2	I426 F428 L434 L435 K436 A455 F456 D458 M461	I426-Y463 HydrophobicContact CG2-CD1 4.11Å; I426-Y463 HydrophobicContact CG2-CE1 3.9Å; F428-Y463 AromaticContact CE2-CD1 3.71Å; F428-Y463 HydrophobicContact CE2-CD1 3.71Å; F428-Y463 AromaticContact CE2-CE1 3.42Å; F428-Y463 HydrophobicContact CE2-CE1 3.42Å; F428-Y463 VanDerWaalsContact CE2-CE1 3.42Å; F428-Y463 HydrophobicContact CZ-CD1 4.41Å; F428-Y463 AromaticContact CZ-CE1 3.72Å; F428-Y463 HydrophobicContact CZ-CE1 3.72Å; F428-Y463 AromaticContact CZ-CZ 3.92Å; L434-Y463 HydrophobicContact CB-CD1 4.24Å; L434-Y463 HydrophobicContact CD1-CD1 4.25Å; L434-Y463 HydrophobicContact CD1-CG 4.31Å; L435-Y463 CarbonylContact O-C 3.57Å; L435-Y463 WeakPolarHBondContact O-CA 3.42Å; K436-Y463 HydrophobicContact CB-CD1 3.79Å; K436-Y463 HydrophobicContact CB-CE1 3.6Å; A455-Y463 WeakPolarHBondContact CB-O 3.16Å; A455-Y463 PolarHBondContact N-O 3.31Å; F456-Y463 AromaticContact CD2-CD2 3.66Å; F456-Y463 HydrophobicContact CD2-CD2 3.66Å; F456-Y463 HydrophobicContact CD2-CE2 4.26Å; F456-Y463 HydrophobicContact CD2-CG 4.38Å; F456-Y463 HydrophobicContact CE1-CG 4.41Å; F456-Y463 AromaticContact CE2-CD2 3.29Å; F456-Y463 HydrophobicContact CE2-CD2 3.29Å; F456-Y463 AromaticContact CE2-CE2 3.64Å; F456-Y463 HydrophobicContact CE2-CE2 3.64Å; F456-Y463 AromaticContact CE2-CG 3.87Å; F456-Y463 HydrophobicContact CE2-CG 3.87Å; F456-Y463 HydrophobicContact CG-CD2 4.43Å; F456-Y463 HydrophobicContact CZ-CD1 4.46Å; F456-Y463 AromaticContact CZ-CD2 3.8Å; F456-Y463 HydrophobicContact CZ-CD2 3.8Å; F456-Y463 HydrophobicContact CZ-CE2 4.3Å; F456-Y463 AromaticContact CZ-CG 3.88Å; F456-Y463 HydrophobicContact CZ-CG 3.88Å; F456-Y463 PolarHBondContact N-O 2.94Å; F456-Y463 PolarHBondContact O-N 3.38Å; D458-Y463 HydrophobicContact CB-CE2 3.89Å; M461-Y463 HydrophobicContact CB-CE2 3.92Å
464	Y	89.6	Confident	89.2	Confident	24 Å²	24	65.7 Å²	65.7	9%	0.094	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	155.1	-176.2	-64.8	-94.4	0	0	0	111.2	L435 I437 V442 L452 E453 F454 A462	L435-Y464 PolarHBondContact N-O 3.38Å; L435-Y464 PolarHBondContact O-N 2.77Å; I437-Y464 HydrophobicContact CD1-CD2 3.76Å; I437-Y464 HydrophobicContact CD1-CE2 4.16Å; V442-Y464 HydrophobicContact CG1-CE2 4.38Å; V442-Y464 WeakPolarHBondContact CG1-OH 3.32Å; V442-Y464 HydrophobicContact CG2-CE2 4.18Å; L452-Y464 HydrophobicContact CB-CD1 3.8Å; L452-Y464 HydrophobicContact CB-CG 4.2Å; L452-Y464 HydrophobicContact CD1-CG 4.43Å; E453-Y464 CarbonylContact O-C 3.51Å; E453-Y464 VanDerWaalsContact O-CA 3.25Å; E453-Y464 WeakPolarHBondContact O-CA 3.46Å; F454-Y464 HydrophobicContact CB-CD1 4.17Å; F454-Y464 HydrophobicContact CB-CE1 3.85Å; F454-Y464 HydrophobicContact CD2-CD1 4.44Å; F454-Y464 AromaticContact CD2-CE1 3.74Å; F454-Y464 HydrophobicContact CD2-CE1 3.74Å; F454-Y464 AromaticContact CD2-CZ 3.77Å; F454-Y464 HydrophobicContact CG-CE1 4.31Å; A462-Y464 HydrophobicContact CB-CD2 4.45Å; A462-Y464 HydrophobicContact CB-CE2 3.52Å
465	R	90.5	Very high	89.3	Confident	83 Å²	83	69.2 Å²	69.2	31%	0.313	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	135.5	166.2	-69.2	176.8	171.9	177.8	-4.4	109.1	V431 L434 E453 T469	V431-R465 PolarHBondContact O-NH2 3.4Å; L434-R465 HydrophobicContact CD2-CG 3.57Å; E453-R465 HydrophobicContact CB-CB 4.3Å; E453-R465 PolarHBondContact N-O 3.37Å; E453-R465 PolarHBondContact O-N 3.18Å; R465-T469 WeakPolarHBondContact CA-OG1 3.37Å
466	N	89.2	Confident	89.3	Confident	7 Å²	7	70.6 Å²	70.6	4%	0.037	33%	0.328	C	S	.	.			trans	-131.4	-173.6	173.3	73.8	-3.1	0	0	0	110	E412 L452 T468 T469 R470	E412-N466 PolarHBondContact OE2-ND2 2.87Å; L452-N466 HydrophobicContact CD2-CB 3.54Å; N466-T468 VanDerWaalsContact C-N 3.34Å; N466-T468 PolarHBondContact O-N 3.39Å; N466-T468 PolarHBondContact OD1-N 3.43Å; N466-T468 VanDerWaalsContact OD1-N 3.12Å; N466-T469 PolarHBondContact N-OG1 2.86Å; N466-T469 PolarHBondContact O-N 3.36Å; N466-T469 PolarHBondContact O-OG1 3.35Å; N466-T469 WeakPolarHBondContact OD1-CG2 3.29Å; N466-T469 PolarHBondContact OD1-N 3.2Å; N466-T469 PolarHBondContact OD1-OG1 3.44Å; N466-R470 WeakPolarHBondContact O-CG 3.47Å; N466-R470 PolarHBondContact O-N 3.38Å; N466-R470 VanDerWaalsContact O-N 3.16Å
467	E	89.4	Confident	89.1	Confident	119 Å²	119	68.7 Å²	68.7	56%	0.556	33%	0.327	S	S	*	.	H	α-helix	trans	-61.9	-43.2	179.4	-170.9	58.2	-161.6	0	0	112.2	T469 R470 I471	E467-T469 PolarHBondContact O-N 3.23Å; E467-R470 PolarHBondContact O-N 3.33Å; E467-R470 IonicContact OE2-NH1 3.98Å; E467-I471 HydrophobicContact CG-CD1 4.09Å; E467-I471 WeakPolarHBondContact O-CG1 3.1Å; E467-I471 PolarHBondContact O-N 3.25Å
468	T	89.5	Confident	89.2	Confident	21 Å²	21	67.5 Å²	67.5	13%	0.129	32%	0.318	C	S	.	.	H	α-helix	trans	-62.5	-42.5	179.8	-56.7	0	0	0	0	112	E412 N466 R470 I471 L472	E412-T468 HydrophobicContact CG-CG2 4.28Å; E412-T468 WeakPolarHBondContact OE1-CB 3.37Å; E412-T468 PolarHBondContact OE1-OG1 3.36Å; N466-T468 VanDerWaalsContact C-N 3.34Å; N466-T468 PolarHBondContact O-N 3.39Å; N466-T468 PolarHBondContact OD1-N 3.43Å; N466-T468 VanDerWaalsContact OD1-N 3.12Å; T468-R470 VanDerWaalsContact C-N 3.34Å; T468-R470 PolarHBondContact O-N 2.87Å; T468-I471 PolarHBondContact O-N 3.28Å; T468-L472 HydrophobicContact CG2-CD1 4.46Å; T468-L472 WeakPolarHBondContact O-CG 3.39Å; T468-L472 PolarHBondContact O-N 2.69Å
469	T	91.8	Very high	89.3	Confident	0 Å²	0	63.9 Å²	63.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-64.4	-38.5	176	61.7	0	0	0	0	111.8	L425 Y433 L435 R465 N466 E467 L472 D473	L425-T469 HydrophobicContact CD2-CG2 3.67Å; Y433-T469 VanDerWaalsContact O-CB 3.25Å; Y433-T469 WeakPolarHBondContact O-CB 3.43Å; L435-T469 HydrophobicContact CB-CG2 4.48Å; R465-T469 WeakPolarHBondContact CA-OG1 3.37Å; N466-T469 PolarHBondContact N-OG1 2.86Å; N466-T469 PolarHBondContact O-N 3.36Å; N466-T469 PolarHBondContact O-OG1 3.35Å; N466-T469 WeakPolarHBondContact OD1-CG2 3.29Å; N466-T469 PolarHBondContact OD1-N 3.2Å; N466-T469 PolarHBondContact OD1-OG1 3.44Å; E467-T469 PolarHBondContact O-N 3.23Å; T469-L472 PolarHBondContact O-N 2.78Å; T469-D473 PolarHBondContact O-N 3.12Å
470	R	91.4	Very high	89.5	Confident	87 Å²	87	59.2 Å²	59.2	33%	0.328	27%	0.273	S	S	.	.	H	α-helix	trans	-66.6	-38.5	176.7	-69.7	-179.5	-168.5	118.6	2.5	112.2	E453 N466 E467 T468 L472 D473 Q474	E453-R470 IonicContact OE2-CZ 3.77Å; E453-R470 IonicContact OE2-NH2 2.97Å; E453-R470 PolarHBondContact OE2-NH2 2.86Å; N466-R470 WeakPolarHBondContact O-CG 3.47Å; N466-R470 PolarHBondContact O-N 3.38Å; N466-R470 VanDerWaalsContact O-N 3.16Å; E467-R470 PolarHBondContact O-N 3.33Å; E467-R470 IonicContact OE2-NH1 3.98Å; T468-R470 VanDerWaalsContact C-N 3.34Å; T468-R470 PolarHBondContact O-N 2.87Å; R470-L472 VanDerWaalsContact C-N 3.33Å; R470-D473 PolarHBondContact O-N 3.3Å; R470-Q474 WeakPolarHBondContact O-CG 3.38Å; R470-Q474 PolarHBondContact O-N 2.95Å
471	I	92	Very high	89.7	Confident	83 Å²	83	58.6 Å²	58.6	43%	0.426	27%	0.266	S	S	.	.	H	α-helix	trans	-63.6	-41.9	174	-68.3	166.7	0	0	0	110.3	E467 T468 Q474 R475	E467-I471 HydrophobicContact CG-CD1 4.09Å; E467-I471 WeakPolarHBondContact O-CG1 3.1Å; E467-I471 PolarHBondContact O-N 3.25Å; T468-I471 PolarHBondContact O-N 3.28Å; I471-Q474 PolarHBondContact O-N 3.44Å; I471-R475 WeakPolarHBondContact O-CB 3.37Å; I471-R475 PolarHBondContact O-N 2.9Å
472	L	90.5	Very high	89.7	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.037	26%	0.258	C	S	.	.	H	α-helix	trans	-63.7	-44.5	176.1	-70.4	171.4	0	0	0	111.8	L404 L405 L408 L425 Y433 T468 T469 R470 Q474 R475 Y476	L404-L472 HydrophobicContact CD2-CD2 4.38Å; L405-L472 HydrophobicContact CD2-CD1 3.85Å; L408-L472 HydrophobicContact CD1-CD1 3.94Å; L408-L472 HydrophobicContact CD1-CD2 3.68Å; L408-L472 HydrophobicContact CD1-CG 4.21Å; L425-L472 HydrophobicContact CD1-CD1 4.38Å; Y433-L472 HydrophobicContact CD1-CB 4.17Å; Y433-L472 HydrophobicContact CD1-CD1 4.19Å; Y433-L472 HydrophobicContact CD2-CB 3.52Å; Y433-L472 HydrophobicContact CE2-CB 4.07Å; Y433-L472 HydrophobicContact CG-CB 3.61Å; Y433-L472 HydrophobicContact CG-CD1 4.19Å; T468-L472 HydrophobicContact CG2-CD1 4.46Å; T468-L472 WeakPolarHBondContact O-CG 3.39Å; T468-L472 PolarHBondContact O-N 2.69Å; T469-L472 PolarHBondContact O-N 2.78Å; R470-L472 VanDerWaalsContact C-N 3.33Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Q474 PolarHBondContact O-N 3.14Å; L472-R475 PolarHBondContact O-N 3.36Å; L472-Y476 HydrophobicContact CD2-CD2 3.87Å; L472-Y476 HydrophobicContact CD2-CE2 3.78Å; L472-Y476 PolarHBondContact O-N 2.89Å
473	D	90.2	Very high	89.9	Confident	44 Å²	44	56.1 Å²	56.1	24%	0.235	26%	0.257	C	S	.	.	H	α-helix	trans	-58.6	-43.8	174.9	-77.6	-30.5	0	0	0	111.4	G432 Y433 T469 R470 G477	G432-D473 WeakPolarHBondContact CA-OD1 3.49Å; Y433-D473 WeakPolarHBondContact CD2-OD1 3.26Å; Y433-D473 PolarHBondContact N-OD1 3.24Å; T469-D473 PolarHBondContact O-N 3.12Å; R470-D473 PolarHBondContact O-N 3.3Å; D473-G477 WeakPolarHBondContact O-CA 3.28Å; D473-G477 PolarHBondContact O-N 3.39Å
474	Q	89.9	Confident	89.9	Confident	174 Å²	174	57.6 Å²	57.6	81%	0.813	27%	0.268	S	S	*	.	H	α-helix	trans	-69.6	-37.9	178.4	-73.9	179.3	8.8	0	0	113.2	R470 I471 L472	R470-Q474 WeakPolarHBondContact O-CG 3.38Å; R470-Q474 PolarHBondContact O-N 2.95Å; I471-Q474 PolarHBondContact O-N 3.44Å; L472-Q474 VanDerWaalsContact C-N 3.34Å; L472-Q474 PolarHBondContact O-N 3.14Å
475	R	88.2	Confident	90.1	Very high	186 Å²	186	60.3 Å²	60.3	70%	0.702	28%	0.284	S	S	*	.	H	α-helix	trans	-79.2	-42.5	-173.7	-176.5	173.5	-177.3	177.8	-0.2	112.8	I471 L472	I471-R475 WeakPolarHBondContact O-CB 3.37Å; I471-R475 PolarHBondContact O-N 2.9Å; L472-R475 PolarHBondContact O-N 3.36Å
476	Y	86.4	Confident	90.3	Very high	67 Å²	67	57.1 Å²	57.1	26%	0.263	28%	0.275	S	S	.	.	H	α-helix	trans	-108.2	-28.4	-173.7	-65.4	-71.9	0	0	0	112.7	T397 L404 Y433 L472 V479	T397-Y476 HydrophobicContact CG2-CD1 3.49Å; T397-Y476 VanDerWaalsContact CG2-CD1 3.49Å; T397-Y476 HydrophobicContact CG2-CE1 3.71Å; L404-Y476 HydrophobicContact CD2-CE2 3.6Å; L404-Y476 WeakPolarHBondContact CD2-OH 3.39Å; Y433-Y476 WeakPolarHBondContact OH-CB 3.46Å; L472-Y476 HydrophobicContact CD2-CD2 3.87Å; L472-Y476 HydrophobicContact CD2-CE2 3.78Å; L472-Y476 PolarHBondContact O-N 2.89Å; Y476-V479 WeakPolarHBondContact O-CG2 3.48Å
477	G	87.7	Confident	90.5	Very high	28 Å²	28	56.9 Å²	56.9	29%	0.289	27%	0.274	S	S	.	.			trans	58.7	-152.8	-173	0	0	0	0	0	112.5	D473 V479	D473-G477 WeakPolarHBondContact O-CA 3.28Å; D473-G477 PolarHBondContact O-N 3.39Å; G477-V479 PolarHBondContact O-N 3.29Å
478	D	89.4	Confident	90.6	Very high	45 Å²	45	53.6 Å²	53.6	24%	0.241	26%	0.262	C	S	.	.			trans	-88.6	83.5	178.7	-163.9	-24.6	0	0	0	110.9	Y427 L430 Y481 A482	Y427-D478 PolarHBondContact OH-OD1 3.39Å; L430-D478 VanDerWaalsContact CA-OD2 3.28Å; L430-D478 WeakPolarHBondContact CA-OD2 3.33Å; L430-D478 PolarHBondContact N-OD2 3.4Å; D478-Y481 PolarHBondContact O-N 3.29Å; D478-Y481 VanDerWaalsContact OD1-CB 3.25Å; D478-Y481 WeakPolarHBondContact OD1-CB 3.21Å; D478-Y481 PolarHBondContact OD1-N 3.42Å; D478-A482 PolarHBondContact O-N 3.07Å
479	V	88.7	Confident	90.8	Very high	3 Å²	3	55.6 Å²	55.6	2%	0.018	27%	0.274	C	S	.	.	H	α-helix	trans	-64.3	-41.5	-175.3	-175	0	0	0	0	111.7	W394 T397 Y427 Y476 G477 A482 I483	W394-V479 HydrophobicContact CB-CG1 4.26Å; T397-V479 HydrophobicContact CG2-CG1 4.46Å; T397-V479 HydrophobicContact CG2-CG2 4.29Å; Y427-V479 PolarHBondContact OH-N 3.05Å; Y476-V479 WeakPolarHBondContact O-CG2 3.48Å; G477-V479 PolarHBondContact O-N 3.29Å; V479-A482 PolarHBondContact O-N 2.98Å; V479-I483 HydrophobicContact CG1-CD1 3.96Å; V479-I483 WeakPolarHBondContact O-CD1 3.33Å; V479-I483 VanDerWaalsContact O-CG1 3.24Å; V479-I483 WeakPolarHBondContact O-CG1 3.27Å; V479-I483 PolarHBondContact O-N 3.44Å
480	M	89.4	Confident	91	Very high	30 Å²	30	57.1 Å²	57.1	15%	0.148	28%	0.282	C	S	.	.	H	α-helix	trans	-63.2	-44.3	176.8	-80.3	-81.6	91.9	0	0	111.6	Y398 Y427 P429 A482 I483 V484	Y398-M480 HydrophobicContact CD1-CE 3.23Å; Y398-M480 HydrophobicContact CD1-SD 4.34Å; Y398-M480 HydrophobicContact CD2-CE 3.38Å; Y398-M480 HydrophobicContact CD2-CG 3.82Å; Y398-M480 HydrophobicContact CD2-SD 4.1Å; Y398-M480 HydrophobicContact CE1-CE 3.23Å; Y398-M480 HydrophobicContact CE1-SD 3.75Å; Y398-M480 HydrophobicContact CE2-CE 3.39Å; Y398-M480 HydrophobicContact CE2-CG 3.26Å; Y398-M480 HydrophobicContact CE2-SD 3.49Å; Y398-M480 WeakPolarHBondContact CE2-SD 3.45Å; Y398-M480 HydrophobicContact CG-CE 3.29Å; Y398-M480 HydrophobicContact CG-SD 4.47Å; Y398-M480 PolarHBondContact OH-SD 3.17Å; Y398-M480 VanDerWaalsContact OH-SD 3.37Å; Y427-M480 HydrophobicContact CE1-CB 4.07Å; Y427-M480 HydrophobicContact CE1-CG 3.65Å; Y427-M480 WeakPolarHBondContact OH-CB 3.27Å; Y427-M480 PolarHBondContact OH-N 3.13Å; P429-M480 HydrophobicContact CG-CB 4.26Å; P429-M480 HydrophobicContact CG-CG 4.4Å; M480-A482 VanDerWaalsContact C-N 3.35Å; M480-A482 PolarHBondContact O-N 2.87Å; M480-I483 HydrophobicContact CE-CD1 3.52Å; M480-I483 PolarHBondContact O-N 3.42Å; M480-V484 WeakPolarHBondContact O-CG2 3.26Å; M480-V484 PolarHBondContact O-N 2.94Å
481	Y	90.6	Very high	91	Very high	130 Å²	130	54.3 Å²	54.3	51%	0.51	27%	0.273	S	S	.	.	H	α-helix	trans	-60.4	-45.7	176.9	-178.3	-89	0	0	0	111.3	L430 D478 I483 V484 D485	L430-Y481 HydrophobicContact CD2-CD2 4.02Å; D478-Y481 PolarHBondContact O-N 3.29Å; D478-Y481 VanDerWaalsContact OD1-CB 3.25Å; D478-Y481 WeakPolarHBondContact OD1-CB 3.21Å; D478-Y481 PolarHBondContact OD1-N 3.42Å; Y481-I483 VanDerWaalsContact C-N 3.31Å; Y481-I483 PolarHBondContact O-N 3.1Å; Y481-V484 PolarHBondContact O-N 3.12Å; Y481-D485 HydrophobicContact CE1-CB 4.21Å; Y481-D485 VanDerWaalsContact O-CB 3.3Å; Y481-D485 WeakPolarHBondContact O-CB 3.32Å; Y481-D485 PolarHBondContact O-N 3.24Å
482	A	91.1	Very high	91	Very high	22 Å²	22	53.6 Å²	53.6	18%	0.182	27%	0.268	C	S	.	.	H	α-helix	trans	-59.2	-40.7	177.6	0	0	0	0	0	112.6	W394 D478 V479 M480 A486	W394-A482 HydrophobicContact CD2-CB 4.06Å; W394-A482 HydrophobicContact CE3-CB 4.07Å; W394-A482 HydrophobicContact CH2-CB 4.33Å; W394-A482 HydrophobicContact CZ2-CB 4.31Å; W394-A482 HydrophobicContact CZ3-CB 4.21Å; D478-A482 PolarHBondContact O-N 3.07Å; V479-A482 PolarHBondContact O-N 2.98Å; M480-A482 VanDerWaalsContact C-N 3.35Å; M480-A482 PolarHBondContact O-N 2.87Å; A482-A486 WeakPolarHBondContact O-CB 3.12Å; A482-A486 PolarHBondContact O-N 2.93Å
483	I	92.1	Very high	91.1	Very high	0 Å²	0	59.4 Å²	59.4	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-63	-50.5	174.8	-66.9	164.2	0	0	0	110.3	R380 L391 W394 Y398 V479 M480 Y481 D485 A486 E487	R380-I483 VanDerWaalsContact NH2-CG2 3.31Å; L391-I483 HydrophobicContact CD1-CB 4.13Å; L391-I483 HydrophobicContact CD1-CG1 4.2Å; L391-I483 HydrophobicContact CD1-CG2 3.81Å; W394-I483 HydrophobicContact CB-CD1 4.18Å; W394-I483 HydrophobicContact CB-CG1 3.63Å; Y398-I483 HydrophobicContact CG-CD1 4.28Å; V479-I483 HydrophobicContact CG1-CD1 3.96Å; V479-I483 WeakPolarHBondContact O-CD1 3.33Å; V479-I483 VanDerWaalsContact O-CG1 3.24Å; V479-I483 WeakPolarHBondContact O-CG1 3.27Å; V479-I483 PolarHBondContact O-N 3.44Å; M480-I483 HydrophobicContact CE-CD1 3.52Å; M480-I483 PolarHBondContact O-N 3.42Å; Y481-I483 VanDerWaalsContact C-N 3.31Å; Y481-I483 PolarHBondContact O-N 3.1Å; I483-D485 VanDerWaalsContact C-N 3.33Å; I483-D485 PolarHBondContact O-N 3.02Å; I483-A486 PolarHBondContact O-N 3.12Å; I483-E487 HydrophobicContact CG2-CG 4.48Å; I483-E487 WeakPolarHBondContact O-CB 3.33Å; I483-E487 VanDerWaalsContact O-CG 3.32Å; I483-E487 WeakPolarHBondContact O-CG 3.36Å; I483-E487 PolarHBondContact O-N 3.24Å
484	V	91.4	Very high	91.2	Very high	50 Å²	50	58 Å²	58	30%	0.303	29%	0.287	S	S	.	.	H	α-helix	trans	-59.3	-45.5	-179.6	178	0	0	0	0	111	M480 Y481 E487 T488	M480-V484 WeakPolarHBondContact O-CG2 3.26Å; M480-V484 PolarHBondContact O-N 2.94Å; Y481-V484 PolarHBondContact O-N 3.12Å; V484-E487 PolarHBondContact O-N 3.16Å; V484-T488 WeakPolarHBondContact O-CB 3.36Å; V484-T488 PolarHBondContact O-N 2.81Å; V484-T488 PolarHBondContact O-OG1 2.98Å
485	D	92.9	Very high	91.4	Very high	80 Å²	80	50 Å²	50	43%	0.428	25%	0.249	S	C	.	.	H	α-helix	trans	-65.6	-44.1	-176.3	-173.6	59.6	0	0	0	111.4	Y481 I483 T488 T489	Y481-D485 HydrophobicContact CE1-CB 4.21Å; Y481-D485 VanDerWaalsContact O-CB 3.3Å; Y481-D485 WeakPolarHBondContact O-CB 3.32Å; Y481-D485 PolarHBondContact O-N 3.24Å; I483-D485 VanDerWaalsContact C-N 3.33Å; I483-D485 PolarHBondContact O-N 3.02Å; D485-T488 PolarHBondContact O-N 2.9Å; D485-T489 WeakPolarHBondContact O-CB 3.27Å; D485-T489 PolarHBondContact O-N 3.47Å; D485-T489 PolarHBondContact O-OG1 2.87Å
486	A	93.9	Very high	91.6	Very high	16 Å²	16	46 Å²	46	13%	0.132	24%	0.242	C	C	.	.	H	α-helix	trans	-66.7	-43.3	175.2	0	0	0	0	0	112.7	L391 W394 A482 I483 T488 T489 I490	L391-A486 HydrophobicContact CD1-CB 4.19Å; W394-A486 HydrophobicContact CE3-CB 4.41Å; W394-A486 HydrophobicContact CZ3-CB 3.79Å; A482-A486 WeakPolarHBondContact O-CB 3.12Å; A482-A486 PolarHBondContact O-N 2.93Å; I483-A486 PolarHBondContact O-N 3.12Å; A486-T488 VanDerWaalsContact C-N 3.31Å; A486-T488 PolarHBondContact O-N 3.46Å; A486-T489 PolarHBondContact O-N 2.97Å; A486-I490 VanDerWaalsContact O-CG1 3.31Å; A486-I490 WeakPolarHBondContact O-CG1 3.34Å; A486-I490 PolarHBondContact O-N 3.48Å
487	E	94.5	Very high	91.9	Very high	3 Å²	3	48.4 Å²	48.4	1%	0.014	25%	0.25	C	S	.	.	H	α-helix	trans	-61.2	-41.4	174	-74.8	-176.1	157.8	0	0	111.8	R380 F381 V383 L391 I483 V484 T489 I490 M491	R380-E487 IonicContact CZ-OE2 2.72Å; R380-E487 IonicContact NE-OE2 3.27Å; R380-E487 PolarHBondContact NE-OE2 3.43Å; R380-E487 IonicContact NH2-OE1 2.72Å; R380-E487 IonicContact NH2-OE2 3.8Å; R380-E487 PolarHBondContact NH2-OE2 3.38Å; F381-E487 HydrophobicContact CD1-CB 4.46Å; V383-E487 HydrophobicContact CB-CG 4.34Å; V383-E487 HydrophobicContact CG2-CB 4.32Å; V383-E487 HydrophobicContact CG2-CG 3.92Å; V383-E487 PolarHBondContact N-OE1 3.44Å; L391-E487 HydrophobicContact CD1-CG 4.16Å; L391-E487 HydrophobicContact CD2-CG 3.76Å; I483-E487 HydrophobicContact CG2-CG 4.48Å; I483-E487 WeakPolarHBondContact O-CB 3.33Å; I483-E487 VanDerWaalsContact O-CG 3.32Å; I483-E487 WeakPolarHBondContact O-CG 3.36Å; I483-E487 PolarHBondContact O-N 3.24Å; V484-E487 PolarHBondContact O-N 3.16Å; E487-T489 VanDerWaalsContact C-N 3.34Å; E487-I490 PolarHBondContact O-N 3.25Å; E487-M491 VanDerWaalsContact O-CB 3.24Å; E487-M491 WeakPolarHBondContact O-CB 3.47Å; E487-M491 PolarHBondContact O-N 3.07Å
488	T	91.7	Very high	92.2	Very high	49 Å²	49	47.2 Å²	47.2	30%	0.301	24%	0.238	S	C	.	.	H	α-helix	trans	-63.9	-41.5	176.3	-61.8	0	0	0	0	110.6	V484 D485 A486 M491 H492	V484-T488 WeakPolarHBondContact O-CB 3.36Å; V484-T488 PolarHBondContact O-N 2.81Å; V484-T488 PolarHBondContact O-OG1 2.98Å; D485-T488 PolarHBondContact O-N 2.9Å; A486-T488 VanDerWaalsContact C-N 3.31Å; A486-T488 PolarHBondContact O-N 3.46Å; T488-M491 HydrophobicContact CG2-CE 4.4Å; T488-M491 WeakPolarHBondContact O-CB 3.44Å; T488-M491 PolarHBondContact O-N 2.83Å; T488-H492 WeakPolarHBondContact CG2-CE1 3.36Å; T488-H492 PolarHBondContact O-N 3.3Å; T488-H492 PolarHBondContact O-ND1 2.99Å
489	T	94	Very high	92.3	Very high	63 Å²	63	46.9 Å²	46.9	39%	0.387	24%	0.236	S	C	.	.	H	α-helix	trans	-62.3	-48.5	175.8	-62.6	0	0	0	0	111	D485 A486 E487 M491 H492 H493	D485-T489 WeakPolarHBondContact O-CB 3.27Å; D485-T489 PolarHBondContact O-N 3.47Å; D485-T489 PolarHBondContact O-OG1 2.87Å; A486-T489 PolarHBondContact O-N 2.97Å; E487-T489 VanDerWaalsContact C-N 3.34Å; T489-M491 VanDerWaalsContact C-N 3.31Å; T489-M491 PolarHBondContact O-N 3.29Å; T489-H492 PolarHBondContact O-N 3.03Å; T489-H493 PolarHBondContact O-N 2.99Å; T489-H493 VanDerWaalsContact O-N 3.11Å; T489-H493 PolarHBondContact O-ND1 3.44Å
490	I	94.2	Very high	92.6	Very high	32 Å²	32	52.9 Å²	52.9	16%	0.164	27%	0.266	C	S	.	.	H	α-helix	trans	-62.1	-41.2	177.1	-67.8	166	0	0	0	110.7	V369 F381 V383 D388 L391 A486 E487 H492 H493 L494	V369-I490 HydrophobicContact CG1-CG2 3.85Å; F381-I490 HydrophobicContact CE1-CG2 4.48Å; V383-I490 HydrophobicContact CG1-CD1 4.26Å; V383-I490 HydrophobicContact CG2-CB 4.09Å; V383-I490 HydrophobicContact CG2-CD1 4.02Å; V383-I490 HydrophobicContact CG2-CG2 3.8Å; D388-I490 HydrophobicContact CB-CD1 3.95Å; L391-I490 HydrophobicContact CD2-CD1 4.03Å; A486-I490 VanDerWaalsContact O-CG1 3.31Å; A486-I490 WeakPolarHBondContact O-CG1 3.34Å; A486-I490 PolarHBondContact O-N 3.48Å; E487-I490 PolarHBondContact O-N 3.25Å; I490-H492 PolarHBondContact O-N 3.29Å; I490-H493 PolarHBondContact O-N 3.15Å; I490-L494 WeakPolarHBondContact O-CB 3.15Å; I490-L494 PolarHBondContact O-N 3.42Å
491	M	93.1	Very high	92.8	Very high	29 Å²	29	54.7 Å²	54.7	14%	0.143	27%	0.272	C	S	.	.	H	α-helix	trans	-57.2	-49.4	176.1	-174.9	-169.3	64.8	0	0	111.2	W319 F381 E487 T488 T489 L494 Q495	W319-M491 HydrophobicContact CH2-CG 4.5Å; W319-M491 HydrophobicContact CZ2-CG 3.53Å; W319-M491 HydrophobicContact CZ2-SD 4.38Å; F381-M491 HydrophobicContact CB-CG 4.34Å; F381-M491 HydrophobicContact CB-SD 3.92Å; F381-M491 HydrophobicContact CD1-CB 3.62Å; F381-M491 HydrophobicContact CD1-CG 4.05Å; F381-M491 HydrophobicContact CD2-CB 4.3Å; F381-M491 HydrophobicContact CD2-CG 3.84Å; F381-M491 HydrophobicContact CD2-SD 4.3Å; F381-M491 HydrophobicContact CE1-CB 3.66Å; F381-M491 HydrophobicContact CE1-CG 4.24Å; F381-M491 HydrophobicContact CE2-CB 4.33Å; F381-M491 HydrophobicContact CE2-CG 4.02Å; F381-M491 HydrophobicContact CG-CB 3.93Å; F381-M491 HydrophobicContact CG-CG 3.82Å; F381-M491 HydrophobicContact CG-SD 4.07Å; F381-M491 HydrophobicContact CZ-CB 4.03Å; F381-M491 HydrophobicContact CZ-CG 4.22Å; E487-M491 VanDerWaalsContact O-CB 3.24Å; E487-M491 WeakPolarHBondContact O-CB 3.47Å; E487-M491 PolarHBondContact O-N 3.07Å; T488-M491 HydrophobicContact CG2-CE 4.4Å; T488-M491 WeakPolarHBondContact O-CB 3.44Å; T488-M491 PolarHBondContact O-N 2.83Å; T489-M491 VanDerWaalsContact C-N 3.31Å; T489-M491 PolarHBondContact O-N 3.29Å; M491-L494 WeakPolarHBondContact O-CB 3.35Å; M491-L494 PolarHBondContact O-N 2.97Å; M491-Q495 WeakPolarHBondContact O-CG 3.44Å; M491-Q495 PolarHBondContact O-N 2.87Å
492	H	91.9	Very high	92.8	Very high	68 Å²	68	49.3 Å²	49.3	32%	0.315	25%	0.252	S	S	.	.	H	α-helix	trans	-62.5	-44.4	179.4	-72.1	106.7	0	0	0	112	T488 T489 I490 L494 Q495 D496	T488-H492 WeakPolarHBondContact CG2-CE1 3.36Å; T488-H492 PolarHBondContact O-N 3.3Å; T488-H492 PolarHBondContact O-ND1 2.99Å; T489-H492 PolarHBondContact O-N 3.03Å; I490-H492 PolarHBondContact O-N 3.29Å; H492-L494 VanDerWaalsContact C-N 3.26Å; H492-L494 PolarHBondContact O-N 2.79Å; H492-Q495 WeakPolarHBondContact O-CB 3.43Å; H492-Q495 PolarHBondContact O-N 3.43Å; H492-Q495 VanDerWaalsContact O-N 3.15Å; H492-D496 PolarHBondContact O-N 3.41Å
493	H	92.6	Very high	92.6	Very high	129 Å²	129	54.9 Å²	54.9	60%	0.597	28%	0.275	S	S	*	.	H	α-helix	trans	-59.9	-38.4	175.1	-73.8	82.9	0	0	0	112.1	T489 I490 R497	T489-H493 PolarHBondContact O-N 2.99Å; T489-H493 VanDerWaalsContact O-N 3.11Å; T489-H493 PolarHBondContact O-ND1 3.44Å; I490-H493 PolarHBondContact O-N 3.15Å; H493-R497 WeakPolarHBondContact O-CB 3.49Å; H493-R497 PolarHBondContact O-N 3.09Å; H493-R497 VanDerWaalsContact O-N 3.1Å
494	L	92.8	Very high	92.6	Very high	15 Å²	15	55.8 Å²	55.8	8%	0.079	28%	0.281	C	S	.	.	H	α-helix	trans	-69.2	-39	176.8	-169.9	63.7	0	0	0	112.1	W319 L366 V369 I370 F381 I490 M491 H492 R497 L498	W319-L494 HydrophobicContact CH2-CB 4.36Å; W319-L494 HydrophobicContact CH2-CD2 4.16Å; W319-L494 HydrophobicContact CH2-CG 4.21Å; W319-L494 HydrophobicContact CZ3-CD2 3.94Å; W319-L494 HydrophobicContact CZ3-CG 4.14Å; L366-L494 HydrophobicContact CD2-CD1 3.99Å; L366-L494 HydrophobicContact CD2-CD2 3.77Å; L366-L494 HydrophobicContact CD2-CG 3.82Å; V369-L494 HydrophobicContact CB-CD1 4.48Å; V369-L494 HydrophobicContact CB-CD2 4.13Å; V369-L494 HydrophobicContact CG1-CD2 3.85Å; V369-L494 HydrophobicContact CG2-CD1 4.36Å; I370-L494 HydrophobicContact CD1-CD2 3.68Å; I370-L494 HydrophobicContact CG1-CD2 3.73Å; F381-L494 HydrophobicContact CE2-CD2 4.23Å; F381-L494 HydrophobicContact CZ-CD2 3.9Å; I490-L494 WeakPolarHBondContact O-CB 3.15Å; I490-L494 PolarHBondContact O-N 3.42Å; M491-L494 WeakPolarHBondContact O-CB 3.35Å; M491-L494 PolarHBondContact O-N 2.97Å; H492-L494 VanDerWaalsContact C-N 3.26Å; H492-L494 PolarHBondContact O-N 2.79Å; L494-R497 PolarHBondContact O-N 3.03Å; L494-L498 WeakPolarHBondContact O-CB 2.84Å; L494-L498 PolarHBondContact O-N 2.82Å
495	Q	92.6	Very high	92.7	Very high	4 Å²	4	53.4 Å²	53.4	2%	0.019	27%	0.267	C	S	.	.	H	α-helix	trans	-60.7	-52.3	173.8	-73.6	177.6	-7.9	0	0	110.7	W319 M491 H492 R497 L498 L499	W319-Q495 HydrophobicContact CH2-CB 4.38Å; W319-Q495 HydrophobicContact CH2-CG 3.37Å; W319-Q495 HydrophobicContact CZ2-CG 3.42Å; W319-Q495 VanDerWaalsContact CZ2-CG 3.42Å; M491-Q495 WeakPolarHBondContact O-CG 3.44Å; M491-Q495 PolarHBondContact O-N 2.87Å; H492-Q495 WeakPolarHBondContact O-CB 3.43Å; H492-Q495 PolarHBondContact O-N 3.43Å; H492-Q495 VanDerWaalsContact O-N 3.15Å; Q495-R497 VanDerWaalsContact C-N 3.26Å; Q495-R497 PolarHBondContact O-N 3.32Å; Q495-L498 WeakPolarHBondContact O-CB 3.13Å; Q495-L498 PolarHBondContact O-N 2.95Å; Q495-L498 VanDerWaalsContact O-N 3.1Å; Q495-L499 VanDerWaalsContact O-CG 3.28Å; Q495-L499 WeakPolarHBondContact O-CG 3.21Å; Q495-L499 PolarHBondContact O-N 3.14Å
496	D	92.4	Very high	92.6	Very high	102 Å²	102	52.1 Å²	52.1	55%	0.545	26%	0.259	S	S	.	.	H	α-helix	trans	-56.7	-43.9	179.7	-72.9	-19.9	0	0	0	111.2	H492 L498 L499 I500	H492-D496 PolarHBondContact O-N 3.41Å; D496-L498 PolarHBondContact O-N 3.12Å; D496-L499 PolarHBondContact O-N 3.29Å; D496-I500 PolarHBondContact O-N 3.41Å
497	R	93	Very high	92.4	Very high	118 Å²	118	54.1 Å²	54.1	45%	0.445	27%	0.266	S	S	.	.	H	α-helix	trans	-64.9	-40.3	177.6	-170.3	174.4	179.3	174.6	-0.1	112.8	W365 H493 L494 Q495 L499 I500 Y501	W365-R497 VanDerWaalsContact CE2-NH2 3.3Å; H493-R497 WeakPolarHBondContact O-CB 3.49Å; H493-R497 PolarHBondContact O-N 3.09Å; H493-R497 VanDerWaalsContact O-N 3.1Å; L494-R497 PolarHBondContact O-N 3.03Å; Q495-R497 VanDerWaalsContact C-N 3.26Å; Q495-R497 PolarHBondContact O-N 3.32Å; R497-L499 VanDerWaalsContact C-N 3.33Å; R497-I500 WeakPolarHBondContact O-CB 3.43Å; R497-I500 PolarHBondContact O-N 3.23Å; R497-Y501 VanDerWaalsContact O-CD2 3.31Å; R497-Y501 WeakPolarHBondContact O-CD2 3.43Å
498	L	93.5	Very high	92.3	Very high	4 Å²	4	54 Å²	54	2%	0.021	27%	0.265	C	S	.	.	H	α-helix	trans	-63.3	-42.5	174.6	-177.3	156.7	0	0	0	110.7	M309 I322 V362 L366 L494 Q495 D496 I500 Y501 I505	M309-L498 HydrophobicContact CE-CD1 4.28Å; M309-L498 HydrophobicContact SD-CD1 4.02Å; M309-L498 HydrophobicContact SD-CD2 3.84Å; I322-L498 HydrophobicContact CG1-CD1 4.35Å; V362-L498 HydrophobicContact CG1-CG 4.47Å; L366-L498 HydrophobicContact CD1-CD1 4.04Å; L366-L498 HydrophobicContact CD2-CD1 4.19Å; L494-L498 WeakPolarHBondContact O-CB 2.84Å; L494-L498 PolarHBondContact O-N 2.82Å; Q495-L498 WeakPolarHBondContact O-CB 3.13Å; Q495-L498 PolarHBondContact O-N 2.95Å; Q495-L498 VanDerWaalsContact O-N 3.1Å; D496-L498 PolarHBondContact O-N 3.12Å; L498-I500 PolarHBondContact O-N 2.93Å; L498-Y501 PolarHBondContact O-N 3.46Å; L498-I505 HydrophobicContact CD2-CD1 3.85Å; L498-I505 HydrophobicContact CG-CD1 4.1Å
499	L	92.8	Very high	92.4	Very high	38 Å²	38	51.8 Å²	51.8	20%	0.199	25%	0.252	C	S	.	.	H	α-helix	trans	-63.7	-26	-177	-71.8	175.1	0	0	0	113	I306 M309 Q310 Q495 D496 R497 Y501 T502	I306-L499 HydrophobicContact CG2-CD2 4.44Å; M309-L499 HydrophobicContact CB-CD2 4.15Å; Q310-L499 HydrophobicContact CG-CD1 4.3Å; Q310-L499 HydrophobicContact CG-CD2 3.59Å; Q495-L499 VanDerWaalsContact O-CG 3.28Å; Q495-L499 WeakPolarHBondContact O-CG 3.21Å; Q495-L499 PolarHBondContact O-N 3.14Å; D496-L499 PolarHBondContact O-N 3.29Å; R497-L499 VanDerWaalsContact C-N 3.33Å; L499-Y501 PolarHBondContact O-N 3.15Å; L499-T502 WeakPolarHBondContact CA-OG1 3.39Å; L499-T502 VanDerWaalsContact O-CB 3.29Å; L499-T502 WeakPolarHBondContact O-CB 3.25Å; L499-T502 PolarHBondContact O-N 3.07Å; L499-T502 VanDerWaalsContact O-N 3.15Å; L499-T502 PolarHBondContact O-OG1 3Å
500	I	94.1	Very high	92.3	Very high	129 Å²	129	50.4 Å²	50.4	66%	0.662	24%	0.241	S	C	*	.	H	α-helix	trans	-55.8	-36.4	169.9	-64.5	169.3	0	0	0	111.3	D496 R497 L498	D496-I500 PolarHBondContact O-N 3.41Å; R497-I500 WeakPolarHBondContact O-CB 3.43Å; R497-I500 PolarHBondContact O-N 3.23Å; L498-I500 PolarHBondContact O-N 2.93Å
501	Y	93.7	Very high	92.3	Very high	67 Å²	67	49.3 Å²	49.3	26%	0.263	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-95.5	13.9	-177.4	-58.2	-78.4	0	0	0	113.7	I358 V362 W365 R497 L498 L499 Q503 S504 I505	I358-Y501 HydrophobicContact CG2-CD1 3.42Å; I358-Y501 VanDerWaalsContact CG2-CD1 3.42Å; I358-Y501 HydrophobicContact CG2-CE1 4.01Å; I358-Y501 HydrophobicContact CG2-CG 4.03Å; V362-Y501 HydrophobicContact CG2-CD2 3.76Å; V362-Y501 HydrophobicContact CG2-CE2 4.39Å; V362-Y501 HydrophobicContact CG2-CG 3.88Å; W365-Y501 HydrophobicContact CH2-CE2 4.13Å; W365-Y501 HydrophobicContact CZ3-CD2 4.34Å; W365-Y501 AromaticContact CZ3-CE2 3.56Å; W365-Y501 HydrophobicContact CZ3-CE2 3.56Å; W365-Y501 AromaticContact CZ3-CZ 3.96Å; R497-Y501 VanDerWaalsContact O-CD2 3.31Å; R497-Y501 WeakPolarHBondContact O-CD2 3.43Å; L498-Y501 PolarHBondContact O-N 3.46Å; L499-Y501 PolarHBondContact O-N 3.15Å; Y501-Q503 PolarHBondContact O-N 2.77Å; Y501-Q503 VanDerWaalsContact O-N 3.15Å; Y501-S504 PolarHBondContact O-N 3.35Å; Y501-S504 VanDerWaalsContact O-N 3.11Å; Y501-I505 WeakPolarHBondContact O-CG1 3.23Å; Y501-I505 PolarHBondContact O-N 2.83Å
502	T	90.9	Very high	92.5	Very high	17 Å²	17	47.9 Å²	47.9	10%	0.104	23%	0.229	C	C	.	.	H	α-helix	trans	-49.7	-43.8	-179	-66.4	0	0	0	0	112.6	I306 L499 I505 L506	I306-T502 HydrophobicContact CD1-CG2 4.4Å; I306-T502 HydrophobicContact CG2-CG2 3.8Å; L499-T502 WeakPolarHBondContact CA-OG1 3.39Å; L499-T502 VanDerWaalsContact O-CB 3.29Å; L499-T502 WeakPolarHBondContact O-CB 3.25Å; L499-T502 PolarHBondContact O-N 3.07Å; L499-T502 VanDerWaalsContact O-N 3.15Å; L499-T502 PolarHBondContact O-OG1 3Å; T502-I505 PolarHBondContact O-N 3.22Å; T502-L506 HydrophobicContact CG2-CD1 3.75Å; T502-L506 HydrophobicContact CG2-CG 4.19Å; T502-L506 WeakPolarHBondContact O-CB 3.47Å; T502-L506 VanDerWaalsContact O-CG 3.3Å; T502-L506 WeakPolarHBondContact O-CG 3.42Å; T502-L506 PolarHBondContact O-N 3.3Å
503	Q	87.4	Confident	92.6	Very high	139 Å²	139	44.7 Å²	44.7	65%	0.65	21%	0.214	S	C	*	.	H	α-helix	trans	-61.7	-47.5	-179.2	-72.1	-65.7	-37.6	0	0	112.2	Y501 I505 L506 Q507	Y501-Q503 PolarHBondContact O-N 2.77Å; Y501-Q503 VanDerWaalsContact O-N 3.15Å; Q503-I505 VanDerWaalsContact C-N 3.34Å; Q503-I505 PolarHBondContact O-N 3.15Å; Q503-L506 PolarHBondContact O-N 3.49Å; Q503-Q507 WeakPolarHBondContact O-CG 3.42Å; Q503-Q507 PolarHBondContact O-N 3.09Å
504	S	91.7	Very high	92.8	Very high	19 Å²	19	39.7 Å²	39.7	13%	0.133	19%	0.191	C	C	.	.	H	α-helix	trans	-63.4	-40.6	178	-55	0	0	0	0	111.6	F354 Y501 Q507 A508	F354-S504 WeakPolarHBondContact CE2-O 3.48Å; Y501-S504 PolarHBondContact O-N 3.35Å; Y501-S504 VanDerWaalsContact O-N 3.11Å; S504-Q507 PolarHBondContact O-N 3.47Å; S504-A508 PolarHBondContact O-N 3.41Å
505	I	92.9	Very high	93	Very high	0 Å²	0	39 Å²	39	0%	0	19%	0.187	C	C	.	.	H	α-helix	trans	-63.7	-43.5	176.8	-61.7	169.6	0	0	0	110.6	T302 I306 L326 I359 L498 Y501 T502 Q503 A508 S509	T302-I505 HydrophobicContact CG2-CG2 3.52Å; I306-I505 HydrophobicContact CD1-CB 4.37Å; I306-I505 HydrophobicContact CD1-CG2 3.88Å; L326-I505 HydrophobicContact CD2-CG1 4.11Å; L326-I505 HydrophobicContact CD2-CG2 4.3Å; I359-I505 HydrophobicContact CD1-CG1 4.12Å; L498-I505 HydrophobicContact CD2-CD1 3.85Å; L498-I505 HydrophobicContact CG-CD1 4.1Å; Y501-I505 WeakPolarHBondContact O-CG1 3.23Å; Y501-I505 PolarHBondContact O-N 2.83Å; T502-I505 PolarHBondContact O-N 3.22Å; Q503-I505 VanDerWaalsContact C-N 3.34Å; Q503-I505 PolarHBondContact O-N 3.15Å; I505-A508 PolarHBondContact O-N 2.94Å; I505-S509 WeakPolarHBondContact O-CB 3.22Å; I505-S509 PolarHBondContact O-N 3.34Å
506	L	90.2	Very high	93.3	Very high	53 Å²	53	38.8 Å²	38.8	28%	0.277	19%	0.186	S	C	.	.	H	α-helix	trans	-67.1	-34.7	177	-70.4	177.1	0	0	0	112.5	Q303 I306 T502 Q503 S509 Q510	Q303-L506 HydrophobicContact CG-CD2 3.95Å; I306-L506 HydrophobicContact CD1-CD2 3.63Å; I306-L506 HydrophobicContact CD1-CG 3.92Å; T502-L506 HydrophobicContact CG2-CD1 3.75Å; T502-L506 HydrophobicContact CG2-CG 4.19Å; T502-L506 WeakPolarHBondContact O-CB 3.47Å; T502-L506 VanDerWaalsContact O-CG 3.3Å; T502-L506 WeakPolarHBondContact O-CG 3.42Å; T502-L506 PolarHBondContact O-N 3.3Å; Q503-L506 PolarHBondContact O-N 3.49Å; L506-S509 WeakPolarHBondContact O-CB 3.49Å; L506-S509 PolarHBondContact O-N 3.45Å; L506-Q510 WeakPolarHBondContact O-CB 3.31Å; L506-Q510 PolarHBondContact O-N 3.41Å
507	Q	90.6	Very high	93.6	Very high	58 Å²	58	33.9 Å²	33.9	27%	0.271	16%	0.16	S	C	.	.	H	α-helix	trans	-63.7	-45.8	172.7	-74.5	175.3	-41.9	0	0	111.7	L349 F354 Q503 S504 S509 Q510 F511	L349-Q507 HydrophobicContact CD1-CB 4.35Å; F354-Q507 HydrophobicContact CD2-CB 3.98Å; F354-Q507 HydrophobicContact CE2-CB 4.48Å; Q503-Q507 WeakPolarHBondContact O-CG 3.42Å; Q503-Q507 PolarHBondContact O-N 3.09Å; S504-Q507 PolarHBondContact O-N 3.47Å; Q507-S509 VanDerWaalsContact C-N 3.28Å; Q507-S509 PolarHBondContact O-N 3.34Å; Q507-Q510 PolarHBondContact O-N 3.46Å; Q507-F511 PolarHBondContact O-N 3.4Å
508	A	93.6	Very high	93.9	Very high	0 Å²	0	28.3 Å²	28.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-63.7	-36.5	174.6	0	0	0	0	0	111.8	M329 F354 I359 S504 I505 F511 A512	M329-A508 HydrophobicContact CB-CB 4.29Å; M329-A508 HydrophobicContact CG-CB 4.3Å; M329-A508 HydrophobicContact SD-CB 3.68Å; F354-A508 HydrophobicContact CE2-CB 4.01Å; F354-A508 HydrophobicContact CZ-CB 4.02Å; I359-A508 HydrophobicContact CD1-CB 4.15Å; I359-A508 HydrophobicContact CG1-CB 4.27Å; S504-A508 PolarHBondContact O-N 3.41Å; I505-A508 PolarHBondContact O-N 2.94Å; A508-F511 PolarHBondContact O-N 3.32Å; A508-A512 WeakPolarHBondContact O-CB 3.48Å; A508-A512 PolarHBondContact O-N 3.12Å
509	S	92.8	Very high	94.1	Very high	3 Å²	3	28.1 Å²	28.1	2%	0.021	14%	0.138	C	C	.	.	H	α-helix	trans	-61.7	-45.1	172.8	-171.8	0	0	0	0	112.8	Q251 T302 I505 L506 Q507 A512 A513	Q251-S509 PolarHBondContact NE2-O 3.13Å; Q251-S509 VanDerWaalsContact NE2-O 3.13Å; Q251-S509 PolarHBondContact NE2-OG 3.04Å; Q251-S509 PolarHBondContact OE1-OG 2.94Å; T302-S509 PolarHBondContact OG1-OG 3.35Å; I505-S509 WeakPolarHBondContact O-CB 3.22Å; I505-S509 PolarHBondContact O-N 3.34Å; L506-S509 WeakPolarHBondContact O-CB 3.49Å; L506-S509 PolarHBondContact O-N 3.45Å; Q507-S509 VanDerWaalsContact C-N 3.28Å; Q507-S509 PolarHBondContact O-N 3.34Å; S509-A512 PolarHBondContact O-N 2.9Å; S509-A513 WeakPolarHBondContact O-CB 3.42Å; S509-A513 PolarHBondContact O-N 3.46Å
510	Q	91	Very high	94.3	Very high	35 Å²	35	26.3 Å²	26.3	16%	0.164	13%	0.128	C	C	.	.	H	α-helix	trans	-65	-45.7	177.6	-175.8	59.3	23.1	0	0	110.7	E255 L506 Q507 A512 A513 E514	E255-Q510 PolarHBondContact OE1-NE2 3.17Å; E255-Q510 PolarHBondContact OE2-NE2 3.32Å; L506-Q510 WeakPolarHBondContact O-CB 3.31Å; L506-Q510 PolarHBondContact O-N 3.41Å; Q507-Q510 PolarHBondContact O-N 3.46Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 2.87Å; Q510-A513 WeakPolarHBondContact O-CB 3.39Å; Q510-A513 PolarHBondContact O-N 3.11Å; Q510-A513 VanDerWaalsContact O-N 3.09Å; Q510-E514 PolarHBondContact NE2-OE1 3.38Å; Q510-E514 VanDerWaalsContact NE2-OE1 3.12Å; Q510-E514 WeakPolarHBondContact O-CG 3.31Å; Q510-E514 PolarHBondContact O-N 3.31Å
511	F	95.2	Very high	94.5	Very high	8 Å²	8	20.1 Å²	20.1	4%	0.035	10%	0.097	C	C	.	.	H	α-helix	trans	-54.1	-48.4	173.3	168.4	-99.9	0	0	0	112.1	L332 I333 C336 P345 V346 L349 Q507 A508 A513 E514 I515	L332-F511 HydrophobicContact CB-CE1 4.18Å; I333-F511 HydrophobicContact CB-CE1 4.48Å; I333-F511 HydrophobicContact CG1-CD1 3.86Å; I333-F511 HydrophobicContact CG1-CE1 3.68Å; I333-F511 HydrophobicContact CG1-CZ 4.45Å; C336-F511 HydrophobicContact CB-CZ 3.94Å; P345-F511 HydrophobicContact CB-CD2 3.81Å; P345-F511 HydrophobicContact CB-CE2 4Å; P345-F511 WeakPolarHBondContact O-CD2 3.27Å; V346-F511 HydrophobicContact CB-CE2 4.36Å; V346-F511 HydrophobicContact CG2-CE2 3.74Å; V346-F511 HydrophobicContact CG2-CZ 4.08Å; L349-F511 HydrophobicContact CB-CD2 4.28Å; L349-F511 HydrophobicContact CD1-CB 4.14Å; L349-F511 HydrophobicContact CD2-CB 4.24Å; L349-F511 HydrophobicContact CD2-CD1 4.3Å; L349-F511 HydrophobicContact CD2-CD2 4.02Å; L349-F511 HydrophobicContact CD2-CE2 4.49Å; L349-F511 HydrophobicContact CD2-CG 3.91Å; Q507-F511 PolarHBondContact O-N 3.4Å; A508-F511 PolarHBondContact O-N 3.32Å; F511-A513 VanDerWaalsContact C-N 3.32Å; F511-A513 PolarHBondContact O-N 2.83Å; F511-E514 PolarHBondContact O-N 2.87Å; F511-I515 HydrophobicContact CD2-CG1 4.24Å; F511-I515 HydrophobicContact CE1-CG1 4.17Å; F511-I515 HydrophobicContact CE2-CD1 4.08Å; F511-I515 HydrophobicContact CE2-CG1 3.78Å; F511-I515 HydrophobicContact CZ-CD1 4.2Å; F511-I515 HydrophobicContact CZ-CG1 3.75Å; F511-I515 WeakPolarHBondContact O-CG1 3.37Å; F511-I515 PolarHBondContact O-N 2.76Å
512	A	96.5	Very high	94.8	Very high	0 Å²	0	17 Å²	17	0%	0	8%	0.084	C	C	.	.	H	α-helix	trans	-62.9	-38.2	177.5	0	0	0	0	0	112.3	L332 A508 S509 Q510 D516	L332-A512 HydrophobicContact CD1-CB 4.07Å; A508-A512 WeakPolarHBondContact O-CB 3.48Å; A508-A512 PolarHBondContact O-N 3.12Å; S509-A512 PolarHBondContact O-N 2.9Å; Q510-A512 VanDerWaalsContact C-N 3.33Å; Q510-A512 PolarHBondContact O-N 2.87Å; A512-D516 WeakPolarHBondContact O-CB 3.46Å; A512-D516 PolarHBondContact O-N 3.21Å
513	A	95.3	Very high	95.1	Very high	1 Å²	1	18.6 Å²	18.6	1%	0.008	9%	0.092	C	C	.	.	H	α-helix	trans	-63.1	-44.8	176.7	0	0	0	0	0	112	Q251 E255 S509 Q510 F511 D516 C517	Q251-A513 HydrophobicContact CB-CB 4.08Å; Q251-A513 HydrophobicContact CG-CB 3.97Å; E255-A513 HydrophobicContact CB-CB 3.98Å; E255-A513 HydrophobicContact CG-CB 4.39Å; S509-A513 WeakPolarHBondContact O-CB 3.42Å; S509-A513 PolarHBondContact O-N 3.46Å; Q510-A513 WeakPolarHBondContact O-CB 3.39Å; Q510-A513 PolarHBondContact O-N 3.11Å; Q510-A513 VanDerWaalsContact O-N 3.09Å; F511-A513 VanDerWaalsContact C-N 3.32Å; F511-A513 PolarHBondContact O-N 2.83Å; A513-D516 WeakPolarHBondContact O-CB 3.48Å; A513-D516 PolarHBondContact O-N 2.98Å; A513-C517 PolarHBondContact O-N 2.88Å; A513-C517 PolarHBondContact O-SG 3.31Å
514	E	96	Very high	95.5	Very high	23 Å²	23	12 Å²	12	11%	0.107	6%	0.061	C	C	.	.	H	α-helix	trans	-67.9	-41.1	179.1	-66.5	-170.1	-153.6	0	0	112.6	E255 W259 Y344 P345 Q510 F511 D516 C517 L518	E255-E514 HydrophobicContact CG-CG 4.27Å; W259-E514 HydrophobicContact CH2-CB 4.43Å; W259-E514 HydrophobicContact CZ2-CB 4.06Å; W259-E514 HydrophobicContact CZ2-CG 3.88Å; Y344-E514 WeakPolarHBondContact CE2-OE2 3.31Å; Y344-E514 PolarHBondContact OH-OE2 3.5Å; P345-E514 HydrophobicContact CB-CB 4.23Å; P345-E514 HydrophobicContact CG-CB 4.04Å; Q510-E514 PolarHBondContact NE2-OE1 3.38Å; Q510-E514 VanDerWaalsContact NE2-OE1 3.12Å; Q510-E514 WeakPolarHBondContact O-CG 3.31Å; Q510-E514 PolarHBondContact O-N 3.31Å; F511-E514 PolarHBondContact O-N 2.87Å; E514-D516 VanDerWaalsContact C-N 3.3Å; E514-D516 PolarHBondContact O-N 2.91Å; E514-C517 WeakPolarHBondContact O-CB 3.36Å; E514-C517 PolarHBondContact O-N 3.26Å; E514-L518 WeakPolarHBondContact O-CG 3.42Å; E514-L518 PolarHBondContact O-N 2.86Å
515	I	98	Very high	95.7	Very high	0 Å²	0	11.2 Å²	11.2	0%	0	6%	0.055	C	C	.	.	H	α-helix	trans	-60.9	-41.9	173.1	-67.8	-66.5	0	0	0	110.6	I292 L343 P345 F511 C517 L518 C519	I292-I515 HydrophobicContact CD1-CG2 4.34Å; I292-I515 HydrophobicContact CG2-CG2 3.82Å; L343-I515 HydrophobicContact CD1-CD1 4.48Å; P345-I515 HydrophobicContact CB-CD1 4.12Å; P345-I515 HydrophobicContact CB-CG1 4.36Å; P345-I515 HydrophobicContact CG-CD1 4Å; F511-I515 HydrophobicContact CD2-CG1 4.24Å; F511-I515 HydrophobicContact CE1-CG1 4.17Å; F511-I515 HydrophobicContact CE2-CD1 4.08Å; F511-I515 HydrophobicContact CE2-CG1 3.78Å; F511-I515 HydrophobicContact CZ-CD1 4.2Å; F511-I515 HydrophobicContact CZ-CG1 3.75Å; F511-I515 WeakPolarHBondContact O-CG1 3.37Å; F511-I515 PolarHBondContact O-N 2.76Å; I515-C517 PolarHBondContact O-N 3.44Å; I515-L518 PolarHBondContact O-N 2.77Å; I515-C519 WeakPolarHBondContact O-CB 3.45Å; I515-C519 PolarHBondContact O-N 3.34Å; I515-C519 PolarHBondContact O-SG 3.35Å
516	D	98.4	Very high	95.8	Very high	0 Å²	0	17.5 Å²	17.5	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-62.7	-40.6	176.7	-166.4	19.7	0	0	0	111.9	C247 L248 T249 L296 A512 A513 E514 C519 A520	C247-D516 WeakPolarHBondContact CA-OD1 3.37Å; C247-D516 WeakPolarHBondContact CB-OD2 3.2Å; L248-D516 PolarHBondContact N-OD1 3.04Å; L248-D516 PolarHBondContact N-OD2 3.14Å; T249-D516 WeakPolarHBondContact CB-OD2 3.38Å; T249-D516 PolarHBondContact N-OD2 3.45Å; T249-D516 PolarHBondContact OG1-OD2 3.36Å; L296-D516 HydrophobicContact CD1-CB 4.01Å; L296-D516 HydrophobicContact CD2-CB 4.08Å; A512-D516 WeakPolarHBondContact O-CB 3.46Å; A512-D516 PolarHBondContact O-N 3.21Å; A513-D516 WeakPolarHBondContact O-CB 3.48Å; A513-D516 PolarHBondContact O-N 2.98Å; E514-D516 VanDerWaalsContact C-N 3.3Å; E514-D516 PolarHBondContact O-N 2.91Å; D516-C519 PolarHBondContact O-N 3.43Å; D516-A520 WeakPolarHBondContact O-CB 3.36Å; D516-A520 PolarHBondContact O-N 3.13Å
517	C	98.1	Very high	95.9	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.1	C	C	.	.	H	α-helix	trans	-61.5	-44.7	173.3	-68.3	0	0	0	0	112.7	G252 L256 W259 A513 E514 I515 A520 F521	G252-C517 PolarHBondContact O-SG 3.17Å; L256-C517 PolarHBondContact N-SG 2.64Å; W259-C517 HydrophobicContact CD2-CB 4.32Å; W259-C517 HydrophobicContact CE3-CB 3.75Å; W259-C517 HydrophobicContact CH2-CB 3.58Å; W259-C517 HydrophobicContact CZ2-CB 4.15Å; W259-C517 HydrophobicContact CZ3-CB 3.35Å; A513-C517 PolarHBondContact O-N 2.88Å; A513-C517 PolarHBondContact O-SG 3.31Å; E514-C517 WeakPolarHBondContact O-CB 3.36Å; E514-C517 PolarHBondContact O-N 3.26Å; I515-C517 PolarHBondContact O-N 3.44Å; C517-A520 WeakPolarHBondContact O-CB 3.44Å; C517-A520 PolarHBondContact O-N 2.92Å; C517-A520 VanDerWaalsContact O-N 3.15Å; C517-F521 PolarHBondContact O-N 2.98Å
518	L	98.4	Very high	95.9	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-66	-40.2	177.8	-67.1	168.7	0	0	0	111.6	W259 R273 A276 V277 F280 Y344 P345 E514 I515 A520 F521 A522	W259-L518 HydrophobicContact CH2-CD2 4.11Å; W259-L518 HydrophobicContact CH2-CG 4.03Å; W259-L518 HydrophobicContact CZ3-CD2 4.11Å; W259-L518 HydrophobicContact CZ3-CG 4.35Å; R273-L518 HydrophobicContact CB-CD2 4.3Å; R273-L518 HydrophobicContact CG-CD2 4.31Å; A276-L518 HydrophobicContact CB-CD1 3.81Å; A276-L518 HydrophobicContact CB-CD2 4.02Å; A276-L518 HydrophobicContact CB-CG 4.37Å; V277-L518 HydrophobicContact CG2-CD2 4.38Å; F280-L518 HydrophobicContact CD2-CB 4.41Å; F280-L518 HydrophobicContact CE2-CB 3.92Å; Y344-L518 HydrophobicContact CD1-CD1 4.35Å; Y344-L518 HydrophobicContact CE1-CD1 3.88Å; Y344-L518 HydrophobicContact CE1-CD2 4.26Å; P345-L518 HydrophobicContact CG-CD1 3.69Å; E514-L518 WeakPolarHBondContact O-CG 3.42Å; E514-L518 PolarHBondContact O-N 2.86Å; I515-L518 PolarHBondContact O-N 2.77Å; L518-A520 VanDerWaalsContact C-N 3.27Å; L518-A520 PolarHBondContact O-N 2.87Å; L518-F521 PolarHBondContact O-N 3.48Å; L518-A522 PolarHBondContact O-N 2.77Å
519	C	98.4	Very high	95.9	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-60.1	-40.6	171.2	-68.5	0	0	0	0	111	L289 I515 D516 A522 M523	L289-C519 HydrophobicContact CD1-CB 3.62Å; L289-C519 VanDerWaalsContact CD1-SG 3.52Å; I515-C519 WeakPolarHBondContact O-CB 3.45Å; I515-C519 PolarHBondContact O-N 3.34Å; I515-C519 PolarHBondContact O-SG 3.35Å; D516-C519 PolarHBondContact O-N 3.43Å; C519-A522 PolarHBondContact O-N 3.01Å; C519-M523 WeakPolarHBondContact O-CB 3.48Å; C519-M523 VanDerWaalsContact O-CG 3.26Å; C519-M523 WeakPolarHBondContact O-CG 3.3Å; C519-M523 PolarHBondContact O-N 2.81Å
520	A	98.2	Very high	96	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-65.3	-42.5	178.6	0	0	0	0	0	112.2	H246 D516 C517 L518 M523 A524	H246-A520 HydrophobicContact CB-CB 4.01Å; D516-A520 WeakPolarHBondContact O-CB 3.36Å; D516-A520 PolarHBondContact O-N 3.13Å; C517-A520 WeakPolarHBondContact O-CB 3.44Å; C517-A520 PolarHBondContact O-N 2.92Å; C517-A520 VanDerWaalsContact O-N 3.15Å; L518-A520 VanDerWaalsContact C-N 3.27Å; L518-A520 PolarHBondContact O-N 2.87Å; A520-M523 PolarHBondContact O-N 3.13Å; A520-A524 WeakPolarHBondContact O-CB 3.28Å; A520-A524 PolarHBondContact O-N 3.44Å
521	F	98.4	Very high	96.3	Very high	0 Å²	0	27.8 Å²	27.8	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.7	-44.2	172.1	-75.3	-8.1	0	0	0	112.6	L244 L256 W259 V277 C517 L518 M523 A524 A525 I599	L244-F521 HydrophobicContact CD1-CE1 4.15Å; L244-F521 HydrophobicContact CD2-CD1 4.03Å; L244-F521 HydrophobicContact CD2-CE1 4.21Å; L256-F521 HydrophobicContact CD1-CD1 4.32Å; L256-F521 HydrophobicContact CD1-CE1 3.51Å; L256-F521 HydrophobicContact CD1-CZ 4.02Å; W259-F521 AromaticContact CE3-CE2 3.85Å; W259-F521 HydrophobicContact CE3-CE2 3.85Å; W259-F521 HydrophobicContact CE3-CZ 4.01Å; W259-F521 HydrophobicContact CZ3-CD2 4.46Å; W259-F521 AromaticContact CZ3-CE2 3.98Å; W259-F521 HydrophobicContact CZ3-CE2 3.98Å; V277-F521 HydrophobicContact CG2-CB 3.63Å; V277-F521 HydrophobicContact CG2-CD2 4.21Å; V277-F521 HydrophobicContact CG2-CG 4.46Å; C517-F521 PolarHBondContact O-N 2.98Å; L518-F521 PolarHBondContact O-N 3.48Å; F521-M523 PolarHBondContact O-N 3.38Å; F521-A524 PolarHBondContact O-N 2.84Å; F521-A525 VanDerWaalsContact O-CB 3.26Å; F521-A525 WeakPolarHBondContact O-CB 3.46Å; F521-A525 PolarHBondContact O-N 2.95Å; F521-I599 HydrophobicContact CE1-CD1 4.15Å; F521-I599 HydrophobicContact CZ-CB 4.5Å; F521-I599 HydrophobicContact CZ-CD1 3.84Å; F521-I599 HydrophobicContact CZ-CG1 4.18Å
522	A	98.3	Very high	96.5	Very high	0 Å²	0	30.6 Å²	30.6	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-63.3	-41.2	176.4	0	0	0	0	0	112.1	V277 F280 L281 L289 L518 C519 A525 K526	V277-A522 HydrophobicContact CG1-CB 4.28Å; F280-A522 HydrophobicContact CB-CB 3.65Å; F280-A522 HydrophobicContact CD2-CB 4.46Å; F280-A522 HydrophobicContact CG-CB 4.44Å; L281-A522 HydrophobicContact CD2-CB 4.4Å; L281-A522 WeakPolarHBondContact CD2-O 3.22Å; L281-A522 HydrophobicContact CG-CB 4.42Å; L289-A522 HydrophobicContact CD2-CB 4.27Å; L518-A522 PolarHBondContact O-N 2.77Å; C519-A522 PolarHBondContact O-N 3.01Å; A522-A525 PolarHBondContact O-N 3.3Å; A522-K526 WeakPolarHBondContact O-CB 3.44Å; A522-K526 PolarHBondContact O-N 3.35Å
523	M	97.6	Very high	96.5	Very high	52 Å²	52	30.7 Å²	30.7	26%	0.256	14%	0.142	S	C	.	.	H	α-helix	trans	-63.7	-45.6	175.8	-73.4	-62.7	-59.9	0	0	112	H246 L289 C519 A520 F521 K526 H527	H246-M523 HydrophobicContact CB-CB 3.83Å; H246-M523 HydrophobicContact CB-CG 4.47Å; L289-M523 HydrophobicContact CD2-SD 4.13Å; C519-M523 WeakPolarHBondContact O-CB 3.48Å; C519-M523 VanDerWaalsContact O-CG 3.26Å; C519-M523 WeakPolarHBondContact O-CG 3.3Å; C519-M523 PolarHBondContact O-N 2.81Å; A520-M523 PolarHBondContact O-N 3.13Å; F521-M523 PolarHBondContact O-N 3.38Å; M523-K526 PolarHBondContact O-N 3.17Å; M523-H527 VanDerWaalsContact O-CB 3.27Å; M523-H527 WeakPolarHBondContact O-CB 3.43Å; M523-H527 PolarHBondContact O-N 3.39Å
524	A	95.7	Very high	96.6	Very high	0 Å²	0	37.3 Å²	37.3	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-61.5	-46.2	176.4	0	0	0	0	0	111	L244 A520 F521 K526 H527 M528	L244-A524 HydrophobicContact CD2-CB 3.91Å; A520-A524 WeakPolarHBondContact O-CB 3.28Å; A520-A524 PolarHBondContact O-N 3.44Å; F521-A524 PolarHBondContact O-N 2.84Å; A524-K526 VanDerWaalsContact C-N 3.34Å; A524-K526 PolarHBondContact O-N 3.33Å; A524-H527 PolarHBondContact O-N 3.03Å; A524-M528 VanDerWaalsContact O-CB 3.27Å; A524-M528 WeakPolarHBondContact O-CB 3.49Å; A524-M528 WeakPolarHBondContact O-CG 3.43Å; A524-M528 PolarHBondContact O-N 3.41Å
525	A	96.5	Very high	96.5	Very high	3 Å²	3	37.5 Å²	37.5	3%	0.025	17%	0.172	C	C	.	.	H	α-helix	trans	-60.8	-43	179.2	0	0	0	0	0	112.2	L281 F521 A522 E529 W530 Y602	L281-A525 HydrophobicContact CD1-CB 4.07Å; F521-A525 VanDerWaalsContact O-CB 3.26Å; F521-A525 WeakPolarHBondContact O-CB 3.46Å; F521-A525 PolarHBondContact O-N 2.95Å; A522-A525 PolarHBondContact O-N 3.3Å; A525-E529 WeakPolarHBondContact O-CA 3.46Å; A525-E529 PolarHBondContact O-N 2.95Å; A525-W530 HydrophobicContact CB-CB 4.43Å; A525-W530 PolarHBondContact O-N 3.27Å; A525-Y602 HydrophobicContact CB-CD1 3.87Å; A525-Y602 HydrophobicContact CB-CG 3.91Å
526	K	95.2	Very high	96.2	Very high	131 Å²	131	39 Å²	39	57%	0.57	18%	0.181	S	C	*	.	H	α-helix	trans	-67.4	-46.3	177	-175.4	175.7	179.5	176.1	0	112.4	L281 A522 M523 A524	L281-K526 HydrophobicContact CD2-CB 3.84Å; A522-K526 WeakPolarHBondContact O-CB 3.44Å; A522-K526 PolarHBondContact O-N 3.35Å; M523-K526 PolarHBondContact O-N 3.17Å; A524-K526 VanDerWaalsContact C-N 3.34Å; A524-K526 PolarHBondContact O-N 3.33Å
527	H	92.8	Very high	95.6	Very high	137 Å²	137	45.1 Å²	45.1	63%	0.634	21%	0.214	S	C	*	.	H	α-helix	trans	-68.4	-36.3	-177.4	-178.6	-87.1	0	0	0	112.3	M523 A524	M523-H527 VanDerWaalsContact O-CB 3.27Å; M523-H527 WeakPolarHBondContact O-CB 3.43Å; M523-H527 PolarHBondContact O-N 3.39Å; A524-H527 PolarHBondContact O-N 3.03Å
528	M	90.8	Very high	95	Very high	15 Å²	15	52.1 Å²	52.1	7%	0.074	25%	0.247	C	C	.	.	H	α-helix	trans	-99.3	1.6	-174.8	-56.8	-66.7	-80.6	0	0	113.6	I243 A524 W530 Q552	I243-M528 HydrophobicContact CG2-CE 3.95Å; I243-M528 HydrophobicContact CG2-CG 4.19Å; I243-M528 HydrophobicContact CG2-SD 4.48Å; A524-M528 VanDerWaalsContact O-CB 3.27Å; A524-M528 WeakPolarHBondContact O-CB 3.49Å; A524-M528 WeakPolarHBondContact O-CG 3.43Å; A524-M528 PolarHBondContact O-N 3.41Å; M528-W530 VanDerWaalsContact C-N 3.31Å; M528-W530 VanDerWaalsContact CB-CD1 3.47Å; M528-W530 HydrophobicContact CB-CD2 4.17Å; M528-W530 HydrophobicContact CB-CG 4.06Å; M528-W530 HydrophobicContact CB-CZ2 4.27Å; M528-W530 HydrophobicContact CG-CZ2 4.33Å; M528-W530 PolarHBondContact O-N 3.37Å; M528-Q552 HydrophobicContact CE-CB 4.17Å; M528-Q552 HydrophobicContact CE-CG 4.02Å
529	E	92	Very high	94.3	Very high	163 Å²	163	54.4 Å²	54.4	76%	0.762	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.8	43.6	-177.5	-57.9	178.7	-179.8	0	0	113	A525	A525-E529 WeakPolarHBondContact O-CA 3.46Å; A525-E529 PolarHBondContact O-N 2.95Å
530	W	96.1	Very high	94	Very high	12 Å²	12	54.7 Å²	54.7	5%	0.045	26%	0.261	C	S	.	.			trans	-80.7	158.3	178.2	-67.8	0.1	0	0	0	111.5	L240 I243 L244 A525 M528 P549 L596 Y602 I603	L240-W530 HydrophobicContact CD1-CH2 4.06Å; I243-W530 HydrophobicContact CG2-CH2 3.88Å; I243-W530 HydrophobicContact CG2-CZ2 3.84Å; L244-W530 HydrophobicContact CD2-CH2 4.04Å; L244-W530 HydrophobicContact CD2-CZ3 3.62Å; A525-W530 HydrophobicContact CB-CB 4.43Å; A525-W530 PolarHBondContact O-N 3.27Å; M528-W530 VanDerWaalsContact C-N 3.31Å; M528-W530 VanDerWaalsContact CB-CD1 3.47Å; M528-W530 HydrophobicContact CB-CD2 4.17Å; M528-W530 HydrophobicContact CB-CG 4.06Å; M528-W530 HydrophobicContact CB-CZ2 4.27Å; M528-W530 HydrophobicContact CG-CZ2 4.33Å; M528-W530 PolarHBondContact O-N 3.37Å; W530-P549 HydrophobicContact CH2-CB 4.35Å; W530-P549 HydrophobicContact CZ2-CB 3.54Å; W530-P549 HydrophobicContact CZ2-CG 4.25Å; W530-L596 HydrophobicContact CH2-CD1 4.24Å; W530-L596 HydrophobicContact CZ3-CD1 4.07Å; W530-L596 HydrophobicContact CZ3-CD2 4.2Å; W530-Y602 WeakPolarHBondContact O-CD1 3.46Å; W530-I603 WeakPolarHBondContact CA-O 3.46Å; W530-I603 VanDerWaalsContact CB-O 3.23Å; W530-I603 WeakPolarHBondContact CB-O 3.44Å
531	T	97.3	Very high	93.8	Very high	39 Å²	39	54.7 Å²	54.7	24%	0.239	26%	0.261	C	S	.	.	B	Isolated β-bridge	trans	-115.7	157.3	-176.9	61.8	0	0	0	0	112.2	P533 Y602 I603 A605	T531-P533 WeakPolarHBondContact O-CD 3.3Å; T531-Y602 WeakPolarHBondContact O-CA 3.25Å; T531-Y602 WeakPolarHBondContact O-CB 3.27Å; T531-I603 PolarHBondContact N-O 3.37Å; T531-I603 VanDerWaalsContact O-CG1 3.32Å; T531-I603 WeakPolarHBondContact O-CG1 3.28Å; T531-I603 PolarHBondContact O-N 2.89Å; T531-A605 WeakPolarHBondContact CB-O 3.41Å; T531-A605 WeakPolarHBondContact CG2-O 3.46Å; T531-A605 PolarHBondContact OG1-O 3.39Å
532	R	98	Very high	93.7	Very high	67 Å²	67	56.9 Å²	56.9	25%	0.253	27%	0.271	S	S	.	.	P	Polyproline II helix	trans	-72.2	121.9	176.5	-170.8	177.5	169.4	127.2	6.1	110.1	L274 D275 E278 Y602	L274-R532 VanDerWaalsContact CB-CZ 3.42Å; L274-R532 VanDerWaalsContact CB-NH2 3.35Å; L274-R532 HydrophobicContact CD2-CG 4.48Å; L274-R532 PolarHBondContact O-NH1 3.49Å; L274-R532 VanDerWaalsContact O-NH1 3.12Å; D275-R532 IonicContact OD1-CZ 2.97Å; D275-R532 IonicContact OD1-NH1 3.58Å; D275-R532 PolarHBondContact OD1-NH1 2.88Å; D275-R532 IonicContact OD1-NH2 3.48Å; D275-R532 PolarHBondContact OD1-NH2 2.66Å; E278-R532 IonicContact OE2-CZ 2.93Å; E278-R532 IonicContact OE2-NE 3.65Å; E278-R532 IonicContact OE2-NH1 2.59Å; E278-R532 PolarHBondContact OE2-NH1 2.73Å; R532-Y602 HydrophobicContact CB-CD1 4.42Å; R532-Y602 HydrophobicContact CB-CD2 4.4Å; R532-Y602 HydrophobicContact CB-CE1 3.88Å; R532-Y602 HydrophobicContact CB-CE2 3.87Å; R532-Y602 HydrophobicContact CG-CE2 3.93Å
533	P	97.7	Very high	93.6	Very high	1 Å²	1	57 Å²	57	1%	0.006	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-70.2	151	170	29.9	-33.3	0	0	0	111	L274 T531 T597 I603	L274-P533 HydrophobicContact CD1-CG 4.09Å; L274-P533 HydrophobicContact CD2-CG 4.11Å; T531-P533 WeakPolarHBondContact O-CD 3.3Å; P533-T597 HydrophobicContact CB-CG2 4.14Å; P533-T597 HydrophobicContact CG-CG2 4.07Å; P533-I603 HydrophobicContact CB-CD1 3.93Å; P533-I603 HydrophobicContact CB-CG1 4.18Å; P533-I603 HydrophobicContact CB-CG2 4.3Å; P533-I603 HydrophobicContact CG-CG1 4.49Å; P533-I603 HydrophobicContact CG-CG2 4.1Å
534	K	96.5	Very high	93.6	Very high	141 Å²	141	59.6 Å²	59.6	61%	0.613	28%	0.279	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.6	122.8	168.7	-66.3	-175.3	178.7	-175.3	0	109.5	A608 K609 I610	K534-A608 PolarHBondContact N-O 2.85Å; K534-K609 HydrophobicContact CB-CG 4.25Å; K534-K609 CarbonylContact O-C 3.58Å; K534-K609 VanDerWaalsContact O-CA 3.29Å; K534-K609 WeakPolarHBondContact O-CA 2.97Å; K534-I610 PolarHBondContact O-N 2.77Å
535	I	94.5	Very high	93.7	Very high	26 Å²	26	63.1 Å²	63.1	13%	0.133	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	138.3	173.1	-48.9	168.1	0	0	0	107.5	E267 I270 L274 T597 I610 T612	E267-I535 HydrophobicContact CB-CG2 4.28Å; E267-I535 HydrophobicContact CG-CB 4.31Å; E267-I535 HydrophobicContact CG-CD1 4.31Å; E267-I535 HydrophobicContact CG-CG2 3.79Å; I270-I535 HydrophobicContact CB-CD1 3.65Å; I270-I535 HydrophobicContact CD1-CD1 4.44Å; I270-I535 HydrophobicContact CG2-CD1 3.29Å; I270-I535 HydrophobicContact CG2-CG1 4.34Å; L274-I535 HydrophobicContact CD1-CD1 4.1Å; L274-I535 HydrophobicContact CD1-CG1 4.46Å; I535-T597 HydrophobicContact CG1-CG2 4.24Å; I535-I610 WeakPolarHBondContact CA-O 3.25Å; I535-T612 HydrophobicContact CG2-CG2 4.14Å
536	V	92	Very high	93.7	Very high	33 Å²	33	63 Å²	63	20%	0.2	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	145.7	-178.9	-66.5	0	0	0	0	110.2	E538 C540 K609 I610 S611	V536-E538 VanDerWaalsContact C-N 3.26Å; V536-E538 HydrophobicContact CG2-CB 4.5Å; V536-E538 PolarHBondContact O-N 3.2Å; V536-C540 WeakPolarHBondContact CG2-SG 3.39Å; V536-K609 HydrophobicContact CG1-CB 4.5Å; V536-K609 HydrophobicContact CG2-CB 4.48Å; V536-I610 PolarHBondContact N-O 3.03Å; V536-S611 VanDerWaalsContact O-CA 3.26Å; V536-S611 WeakPolarHBondContact O-CA 3.49Å; V536-S611 WeakPolarHBondContact O-CB 3.29Å
537	D	85.2	Confident	93.6	Very high	127 Å²	127	57.6 Å²	57.6	68%	0.679	27%	0.269	S	S	*	.	S	Bend	trans	-69.2	-27.9	174	-75.2	-45	0	0	0	112.7	N539	D537-N539 PolarHBondContact O-N 3.47Å
538	E	84.8	Confident	93.6	Very high	148 Å²	148	51.6 Å²	51.6	69%	0.692	24%	0.241	S	C	*	.	S	Bend	trans	-64	120.1	177.5	-64.3	176.1	-169.4	0	0	110.2	V536 C540 S611	V536-E538 VanDerWaalsContact C-N 3.26Å; V536-E538 HydrophobicContact CG2-CB 4.5Å; V536-E538 PolarHBondContact O-N 3.2Å; E538-C540 PolarHBondContact O-N 3.5Å; E538-C540 PolarHBondContact O-SG 3.4Å; E538-C540 VanDerWaalsContact O-SG 3.33Å; E538-S611 WeakPolarHBondContact O-CB 3.35Å
539	N	84.7	Confident	93.5	Very high	48 Å²	48	50.9 Å²	50.9	26%	0.257	24%	0.238	S	C	.	.	S	Bend	trans	-55.1	103	173.3	-74.3	-19.2	0	0	0	109.7	D537 G567 Y686	D537-N539 PolarHBondContact O-N 3.47Å; N539-G567 VanDerWaalsContact O-CA 3.23Å; N539-G567 WeakPolarHBondContact O-CA 3.45Å; N539-G567 PolarHBondContact O-N 3.4Å; N539-Y686 HydrophobicContact CB-CE2 4.28Å; N539-Y686 WeakPolarHBondContact CB-OH 3.5Å; N539-Y686 PolarHBondContact O-OH 2.88Å
540	C	91.1	Very high	93.2	Very high	5 Å²	5	43.4 Å²	43.4	3%	0.034	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-162.9	156.5	178.7	70	0	0	0	0	112.7	V536 E538 S565 S611 Y686	V536-C540 WeakPolarHBondContact CG2-SG 3.39Å; E538-C540 PolarHBondContact O-N 3.5Å; E538-C540 PolarHBondContact O-SG 3.4Å; E538-C540 VanDerWaalsContact O-SG 3.33Å; C540-S565 CarbonylContact C-O 3.59Å; C540-S565 VanDerWaalsContact CA-O 3.31Å; C540-S565 WeakPolarHBondContact CA-O 3.32Å; C540-S611 PolarHBondContact N-OG 2.84Å; C540-S611 PolarHBondContact O-N 3.37Å; C540-S611 PolarHBondContact O-OG 2.84Å; C540-Y686 PolarHBondContact N-OH 3.21Å
541	I	94.7	Very high	92.5	Very high	1 Å²	1	45.5 Å²	45.5	1%	0.005	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	98.4	169.4	-51.2	176.5	0	0	0	107.4	I543 F563 S565 I590 F613 L652 Y686	I541-I543 HydrophobicContact CG2-CD1 4.04Å; I541-I543 HydrophobicContact CG2-CG1 4.19Å; I541-F563 HydrophobicContact CB-CD1 4.24Å; I541-F563 HydrophobicContact CB-CE1 3.97Å; I541-F563 HydrophobicContact CD1-CE1 4.48Å; I541-F563 HydrophobicContact CG2-CD1 3.82Å; I541-F563 HydrophobicContact CG2-CE1 3.93Å; I541-S565 PolarHBondContact N-O 3.38Å; I541-S565 PolarHBondContact O-N 2.95Å; I541-I590 HydrophobicContact CG2-CG2 4.24Å; I541-F613 HydrophobicContact CD1-CE1 4.03Å; I541-F613 HydrophobicContact CD1-CE2 4.12Å; I541-F613 HydrophobicContact CD1-CZ 3.44Å; I541-F613 VanDerWaalsContact CD1-CZ 3.44Å; I541-F613 HydrophobicContact CG1-CE1 4.45Å; I541-F613 HydrophobicContact CG1-CE2 3.83Å; I541-F613 HydrophobicContact CG1-CZ 3.42Å; I541-F613 VanDerWaalsContact CG1-CZ 3.42Å; I541-L652 HydrophobicContact CD1-CD1 3.96Å; I541-Y686 HydrophobicContact CD1-CD1 4.06Å; I541-Y686 HydrophobicContact CD1-CG 3.98Å; I541-Y686 HydrophobicContact CG1-CD1 4.25Å; I541-Y686 HydrophobicContact CG1-CG 4.44Å
542	H	96	Very high	91.5	Very high	45 Å²	45	46.6 Å²	46.6	21%	0.208	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	115.6	173.6	-61	175.6	0	0	0	109	F563 Y564 D566 A608 K609	H542-F563 CarbonylContact C-O 3.54Å; H542-F563 WeakPolarHBondContact CA-O 3.4Å; H542-Y564 HydrophobicContact CB-CD1 4.15Å; H542-D566 IonicContact CD2-OD1 2.65Å; H542-D566 PolarHBondContact CD2-OD1 2.84Å; H542-D566 IonicContact CE1-OD1 3.18Å; H542-D566 IonicContact NE2-OD1 3.95Å; H542-D566 PolarHBondContact NE2-OD1 3.43Å; H542-A608 CarbonylContact O-C 3.57Å; H542-A608 WeakPolarHBondContact O-CA 3.26Å; H542-A608 VanDerWaalsContact O-CB 3.26Å; H542-A608 WeakPolarHBondContact O-CB 3.09Å; H542-K609 HydrophobicContact CB-CB 4.13Å; H542-K609 PolarHBondContact N-O 3.44Å; H542-K609 PolarHBondContact O-N 3.48Å
543	I	97.3	Very high	90.3	Very high	2 Å²	2	47 Å²	47	1%	0.01	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	120.3	176.5	-61.7	170.3	0	0	0	107	I541 S562 F563 I590 I593 A605 A608 I610	I541-I543 HydrophobicContact CG2-CD1 4.04Å; I541-I543 HydrophobicContact CG2-CG1 4.19Å; I543-S562 CarbonylContact O-C 3.43Å; I543-S562 WeakPolarHBondContact O-CA 3.32Å; I543-S562 WeakPolarHBondContact O-CB 3.43Å; I543-F563 HydrophobicContact CB-CB 4.34Å; I543-F563 PolarHBondContact N-O 2.99Å; I543-F563 PolarHBondContact O-N 3.48Å; I543-I590 HydrophobicContact CD1-CB 4.17Å; I543-I590 HydrophobicContact CD1-CG1 4.15Å; I543-I590 HydrophobicContact CD1-CG2 3.98Å; I543-I593 HydrophobicContact CD1-CB 4.03Å; I543-I593 HydrophobicContact CD1-CD1 4.19Å; I543-I593 HydrophobicContact CD1-CG2 3.9Å; I543-I593 HydrophobicContact CG1-CG2 4.07Å; I543-I593 HydrophobicContact CG2-CD1 3.67Å; I543-A605 HydrophobicContact CG2-CB 4.27Å; I543-A608 HydrophobicContact CG1-CB 4.39Å; I543-I610 HydrophobicContact CG1-CD1 4.37Å
544	Y	97.6	Very high	89.2	Confident	107 Å²	107	52.7 Å²	52.7	42%	0.42	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.4	176.7	-179.2	-114.5	0	0	0	109.7	G546 Y564 E606 G607	Y544-G546 VanDerWaalsContact C-N 3.35Å; Y544-G546 PolarHBondContact O-N 3.43Å; Y544-Y564 WeakPolarHBondContact CD2-OH 3.49Å; Y544-E606 HydrophobicContact CD1-CB 3.63Å; Y544-E606 HydrophobicContact CE1-CB 3.91Å; Y544-E606 WeakPolarHBondContact CE1-OE2 3.33Å; Y544-E606 PolarHBondContact O-N 3.27Å; Y544-G607 WeakPolarHBondContact CB-O 3.42Å; Y544-G607 PolarHBondContact N-O 2.85Å; Y544-G607 PolarHBondContact O-N 2.77Å
545	K	96.2	Very high	88.1	Confident	74 Å²	74	48.2 Å²	48.2	32%	0.322	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	46.4	55.4	179.6	-69.8	174.9	176.2	-179.6	0	112.7	W547 K560 N561 S562 E606	K545-W547 VanDerWaalsContact O-CE3 3.3Å; K545-K560 HydrophobicContact CB-CB 3.8Å; K545-K560 HydrophobicContact CB-CD 4.06Å; K545-K560 HydrophobicContact CG-CB 4.35Å; K545-N561 CarbonylContact C-O 3.49Å; K545-N561 WeakPolarHBondContact CA-O 3.36Å; K545-S562 PolarHBondContact N-OG 2.83Å; K545-E606 HydrophobicContact CB-CB 4.25Å; K545-E606 HydrophobicContact CB-CG 4.16Å; K545-E606 HydrophobicContact CD-CG 4.33Å; K545-E606 VanDerWaalsContact CD-OE1 3.32Å; K545-E606 WeakPolarHBondContact CD-OE1 3.33Å; K545-E606 WeakPolarHBondContact CD-OE2 3.45Å; K545-E606 IonicContact NZ-OE1 2.94Å; K545-E606 IonicContact NZ-OE2 2.79Å; K545-E606 PolarHBondContact NZ-OE2 2.95Å; K545-E606 PolarHBondContact O-N 2.67Å
546	G	96.5	Very high	86.9	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	154.4	171.3	0	0	0	0	0	112.6	Y544 K560 N561 P604	Y544-G546 VanDerWaalsContact C-N 3.35Å; Y544-G546 PolarHBondContact O-N 3.43Å; G546-K560 WeakPolarHBondContact O-CA 3.25Å; G546-N561 PolarHBondContact N-O 3.39Å; G546-N561 PolarHBondContact O-N 3.38Å; G546-P604 CarbonylContact C-O 3.53Å; G546-P604 VanDerWaalsContact CA-O 3.28Å; G546-P604 WeakPolarHBondContact CA-O 3.13Å
547	W	94.2	Very high	86.2	Confident	19 Å²	19	58.3 Å²	58.3	7%	0.072	31%	0.305	C	S	.	.			trans	-140.9	160.5	173.8	63.8	96	0	0	0	112.2	K545 P549 I558 K560 P604	K545-W547 VanDerWaalsContact O-CE3 3.3Å; W547-P549 WeakPolarHBondContact O-CD 3.19Å; W547-I558 HydrophobicContact CB-CG2 3.53Å; W547-I558 HydrophobicContact CG-CG2 4.03Å; W547-K560 HydrophobicContact CE3-CD 3.8Å; W547-K560 HydrophobicContact CE3-CG 3.91Å; W547-K560 HydrophobicContact CZ3-CD 3.99Å; W547-P604 HydrophobicContact CD2-CB 3.97Å; W547-P604 VanDerWaalsContact CE3-O 3.32Å; W547-P604 HydrophobicContact CG-CB 4.21Å; W547-P604 HydrophobicContact CZ2-CB 3.98Å; W547-P604 PolarHBondContact N-O 2.87Å; W547-P604 WeakPolarHBondContact O-CB 3.23Å; W547-P604 WeakPolarHBondContact O-CG 3.36Å
548	Y	91.8	Very high	86	Confident	11 Å²	11	54.3 Å²	54.3	4%	0.043	28%	0.283	C	S	.	.			trans	-81.2	115.6	177.1	-167.1	-128.1	0	0	0	110.2	L214 Q215 I550 Q551 I585 K588 T589 L592	L214-Y548 PolarHBondContact O-OH 3.05Å; Q215-Y548 PolarHBondContact OE1-OH 3.04Å; Y548-I550 VanDerWaalsContact C-N 3.3Å; Y548-I550 HydrophobicContact CD1-CB 4.05Å; Y548-I550 HydrophobicContact CE1-CB 3.61Å; Y548-I550 HydrophobicContact CE1-CD1 4.33Å; Y548-I550 HydrophobicContact CE1-CG1 4.34Å; Y548-I550 HydrophobicContact CE1-CG2 4.2Å; Y548-I550 PolarHBondContact O-N 3.42Å; Y548-I550 WeakPolarHBondContact OH-CD1 3.22Å; Y548-Q551 HydrophobicContact CD1-CB 4.31Å; Y548-Q551 VanDerWaalsContact O-CB 3.32Å; Y548-Q551 WeakPolarHBondContact O-CB 3.32Å; Y548-Q551 PolarHBondContact O-N 3Å; Y548-I585 HydrophobicContact CD1-CG2 4.44Å; Y548-I585 HydrophobicContact CG-CG2 4.31Å; Y548-K588 HydrophobicContact CD2-CB 4.02Å; Y548-K588 HydrophobicContact CE1-CD 4.31Å; Y548-K588 HydrophobicContact CE2-CB 3.82Å; Y548-K588 HydrophobicContact CE2-CD 4.33Å; Y548-T589 WeakPolarHBondContact CB-OG1 3.44Å; Y548-T589 PolarHBondContact N-OG1 3.43Å; Y548-L592 HydrophobicContact CD2-CD2 4.01Å; Y548-L592 HydrophobicContact CE2-CB 4.47Å; Y548-L592 HydrophobicContact CE2-CD2 3.83Å
549	P	89.7	Confident	86.2	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-69	-28	-170.5	26.8	-33.4	0	0	0	112.8	L240 I243 W530 W547 Q551 Q552 L592 P604	L240-P549 HydrophobicContact CD1-CG 4.25Å; I243-P549 HydrophobicContact CD1-CB 4.2Å; W530-P549 HydrophobicContact CH2-CB 4.35Å; W530-P549 HydrophobicContact CZ2-CB 3.54Å; W530-P549 HydrophobicContact CZ2-CG 4.25Å; W547-P549 WeakPolarHBondContact O-CD 3.19Å; P549-Q551 PolarHBondContact O-N 3.1Å; P549-Q552 WeakPolarHBondContact O-CB 3.11Å; P549-Q552 PolarHBondContact O-N 2.84Å; P549-Q552 VanDerWaalsContact O-N 3.14Å; P549-L592 HydrophobicContact CG-CD2 3.22Å; P549-P604 HydrophobicContact CB-CB 4.22Å; P549-P604 HydrophobicContact CB-CG 4.19Å; P549-P604 HydrophobicContact CG-CG 3.98Å
550	I	85.2	Confident	86.6	Confident	6 Å²	6	52.7 Å²	52.7	3%	0.031	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-26.4	175.6	-63.7	178.6	0	0	0	111.2	Q215 P238 I243 Y548 Q552 T553	Q215-I550 HydrophobicContact CB-CD1 3.51Å; Q215-I550 HydrophobicContact CG-CD1 4.48Å; P238-I550 HydrophobicContact CB-CG2 3.86Å; P238-I550 HydrophobicContact CG-CG2 3.68Å; I243-I550 HydrophobicContact CD1-CG1 3.81Å; Y548-I550 VanDerWaalsContact C-N 3.3Å; Y548-I550 HydrophobicContact CD1-CB 4.05Å; Y548-I550 HydrophobicContact CE1-CB 3.61Å; Y548-I550 HydrophobicContact CE1-CD1 4.33Å; Y548-I550 HydrophobicContact CE1-CG1 4.34Å; Y548-I550 HydrophobicContact CE1-CG2 4.2Å; Y548-I550 PolarHBondContact O-N 3.42Å; Y548-I550 WeakPolarHBondContact OH-CD1 3.22Å; I550-Q552 VanDerWaalsContact C-N 3.25Å; I550-Q552 PolarHBondContact O-N 3.43Å; I550-T553 PolarHBondContact O-N 3.31Å; I550-T553 PolarHBondContact O-OG1 3.27Å
551	Q	81	Confident	86.8	Confident	55 Å²	55	53.3 Å²	53.3	26%	0.257	28%	0.277	S	S	.	.	H	α-helix	trans	-68.7	-29.4	173.4	-171.7	175.8	-7	0	0	111.7	Y548 P549 T553 V554 S555	Y548-Q551 HydrophobicContact CD1-CB 4.31Å; Y548-Q551 VanDerWaalsContact O-CB 3.32Å; Y548-Q551 WeakPolarHBondContact O-CB 3.32Å; Y548-Q551 PolarHBondContact O-N 3Å; P549-Q551 PolarHBondContact O-N 3.1Å; Q551-T553 PolarHBondContact O-N 2.69Å; Q551-V554 PolarHBondContact O-N 2.72Å; Q551-V554 VanDerWaalsContact O-N 3.12Å; Q551-S555 PolarHBondContact O-N 2.85Å
552	Q	76.7	Confident	86.9	Confident	62 Å²	62	54.9 Å²	54.9	29%	0.29	29%	0.288	S	S	.	.	H	α-helix	trans	-65	-23.5	177.9	-169.5	172.4	-5.8	0	0	113.2	M528 P549 I550 V554 I558	M528-Q552 HydrophobicContact CE-CB 4.17Å; M528-Q552 HydrophobicContact CE-CG 4.02Å; P549-Q552 WeakPolarHBondContact O-CB 3.11Å; P549-Q552 PolarHBondContact O-N 2.84Å; P549-Q552 VanDerWaalsContact O-N 3.14Å; I550-Q552 VanDerWaalsContact C-N 3.25Å; I550-Q552 PolarHBondContact O-N 3.43Å; Q552-V554 VanDerWaalsContact C-N 3.33Å; Q552-I558 VanDerWaalsContact CA-CD1 3.45Å; Q552-I558 HydrophobicContact CB-CD1 3.45Å; Q552-I558 VanDerWaalsContact CB-CD1 3.45Å; Q552-I558 HydrophobicContact CG-CD1 3.63Å
553	T	73.2	Confident	86.9	Confident	77 Å²	77	53 Å²	53	47%	0.472	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-13.7	176.8	66.8	0	0	0	0	113	I243 I550 Q551	I243-T553 HydrophobicContact CD1-CG2 4.02Å; I243-T553 HydrophobicContact CG1-CG2 4.14Å; I550-T553 PolarHBondContact O-N 3.31Å; I550-T553 PolarHBondContact O-OG1 3.27Å; Q551-T553 PolarHBondContact O-N 2.69Å
554	V	74	Confident	86.7	Confident	119 Å²	119	57.6 Å²	57.6	72%	0.721	30%	0.297	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.7	-36.2	-175.1	-175.9	0	0	0	0	112.2	Q551 Q552	Q551-V554 PolarHBondContact O-N 2.72Å; Q551-V554 VanDerWaalsContact O-N 3.12Å; Q552-V554 VanDerWaalsContact C-N 3.33Å
555	S	73.4	Confident	86.3	Confident	47 Å²	47	52.5 Å²	52.5	33%	0.329	28%	0.278	S	S	.	.			trans	-132	141.5	-175.5	178.8	0	0	0	0	111.4	Q551 N557	Q551-S555 PolarHBondContact O-N 2.85Å; S555-N557 PolarHBondContact OG-N 2.83Å; S555-N557 PolarHBondContact OG-O 3.03Å
556	T	69.6	Low	85.6	Confident	137 Å²	137	51.5 Å²	51.5	84%	0.84	28%	0.275	S	S	*	.	S	Bend	trans	-79.9	-32.2	174.6	52.4	0	0	0	0	112.6	I558	T556-I558 PolarHBondContact O-N 2.75Å
557	N	76.8	Confident	84.2	Confident	135 Å²	135	53.3 Å²	53.3	72%	0.722	30%	0.295	S	S	*	.			trans	-87.9	104.8	178.1	-74.6	-15.2	0	0	0	109.9	S555	S555-N557 PolarHBondContact OG-N 2.83Å; S555-N557 PolarHBondContact OG-O 3.03Å
558	I	82	Confident	83.1	Confident	42 Å²	42	56.9 Å²	56.9	22%	0.215	32%	0.322	C	S	.	.			trans	-118.8	125.8	-179.4	-53.5	171.8	0	0	0	109	W547 Q552 T556	W547-I558 HydrophobicContact CB-CG2 3.53Å; W547-I558 HydrophobicContact CG-CG2 4.03Å; Q552-I558 VanDerWaalsContact CA-CD1 3.45Å; Q552-I558 HydrophobicContact CB-CD1 3.45Å; Q552-I558 VanDerWaalsContact CB-CD1 3.45Å; Q552-I558 HydrophobicContact CG-CD1 3.63Å; T556-I558 PolarHBondContact O-N 2.75Å
559	I	87.9	Confident	82.4	Confident	74 Å²	74	61.5 Å²	61.5	38%	0.379	34%	0.343	S	S	.	.			trans	-91.8	112.3	177.4	-59.9	-171.6	0	0	0	108.2	N561 L724 Y725 E726	I559-N561 PolarHBondContact O-ND2 3.25Å; I559-L724 WeakPolarHBondContact CD1-O 3.48Å; I559-Y725 HydrophobicContact CD1-CD2 4.24Å; I559-E726 HydrophobicContact CG2-CB 4.33Å
560	K	94	Very high	82.1	Confident	88 Å²	88	64.2 Å²	64.2	38%	0.383	36%	0.355	S	S	.	.			trans	-78.7	136.9	178.1	-55.4	-174.2	-173.2	-177.1	0	109.8	K545 G546 W547 E606	K545-K560 HydrophobicContact CB-CB 3.8Å; K545-K560 HydrophobicContact CB-CD 4.06Å; K545-K560 HydrophobicContact CG-CB 4.35Å; G546-K560 WeakPolarHBondContact O-CA 3.25Å; W547-K560 HydrophobicContact CE3-CD 3.8Å; W547-K560 HydrophobicContact CE3-CG 3.91Å; W547-K560 HydrophobicContact CZ3-CD 3.99Å; K560-E606 IonicContact NZ-OE1 2.73Å; K560-E606 PolarHBondContact NZ-OE1 2.76Å
561	N	95.7	Very high	82.2	Confident	18 Å²	18	64.5 Å²	64.5	10%	0.096	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	145.6	-177	-76.4	-80.7	0	0	0	111.6	K545 G546 I559 Y586 Y725 E726 A727	K545-N561 CarbonylContact C-O 3.49Å; K545-N561 WeakPolarHBondContact CA-O 3.36Å; G546-N561 PolarHBondContact N-O 3.39Å; G546-N561 PolarHBondContact O-N 3.38Å; I559-N561 PolarHBondContact O-ND2 3.25Å; N561-Y586 HydrophobicContact CB-CD2 3.67Å; N561-Y586 HydrophobicContact CB-CE2 3.61Å; N561-Y725 PolarHBondContact ND2-O 3.15Å; N561-E726 VanDerWaalsContact OD1-CA 3.23Å; N561-E726 WeakPolarHBondContact OD1-CA 3.44Å; N561-A727 PolarHBondContact OD1-N 3.4Å
562	S	96.3	Very high	82.6	Confident	34 Å²	34	61.9 Å²	61.9	24%	0.238	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	155.6	174.2	-59.8	0	0	0	0	111.4	I543 K545 Y586	I543-S562 CarbonylContact O-C 3.43Å; I543-S562 WeakPolarHBondContact O-CA 3.32Å; I543-S562 WeakPolarHBondContact O-CB 3.43Å; K545-S562 PolarHBondContact N-OG 2.83Å; S562-Y586 PolarHBondContact O-OH 3.33Å
563	F	95.7	Very high	83.4	Confident	5 Å²	5	59 Å²	59	2%	0.022	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	136	174.3	178.5	-109.4	0	0	0	109.4	I541 H542 I543 T573 Y586 I590 I688 L710	I541-F563 HydrophobicContact CB-CD1 4.24Å; I541-F563 HydrophobicContact CB-CE1 3.97Å; I541-F563 HydrophobicContact CD1-CE1 4.48Å; I541-F563 HydrophobicContact CG2-CD1 3.82Å; I541-F563 HydrophobicContact CG2-CE1 3.93Å; H542-F563 CarbonylContact C-O 3.54Å; H542-F563 WeakPolarHBondContact CA-O 3.4Å; I543-F563 HydrophobicContact CB-CB 4.34Å; I543-F563 PolarHBondContact N-O 2.99Å; I543-F563 PolarHBondContact O-N 3.48Å; F563-T573 HydrophobicContact CE2-CG2 4.07Å; F563-T573 WeakPolarHBondContact CE2-OG1 3.41Å; F563-Y586 HydrophobicContact CD2-CE1 4.42Å; F563-Y586 WeakPolarHBondContact CD2-OH 3.3Å; F563-I590 HydrophobicContact CB-CD1 3.85Å; F563-I590 HydrophobicContact CB-CG1 3.94Å; F563-I590 HydrophobicContact CD1-CD1 3.9Å; F563-I590 HydrophobicContact CD1-CG1 4.09Å; F563-I590 HydrophobicContact CD1-CG2 3.85Å; F563-I590 HydrophobicContact CD2-CD1 3.55Å; F563-I590 HydrophobicContact CD2-CG1 4.47Å; F563-I590 HydrophobicContact CE1-CD1 4.33Å; F563-I590 HydrophobicContact CE1-CG2 3.99Å; F563-I590 HydrophobicContact CE2-CD1 4.01Å; F563-I590 HydrophobicContact CG-CD1 3.47Å; F563-I590 VanDerWaalsContact CG-CD1 3.47Å; F563-I590 HydrophobicContact CG-CG1 3.92Å; F563-I590 HydrophobicContact CZ-CD1 4.38Å; F563-I688 HydrophobicContact CE1-CD1 4.27Å; F563-I688 HydrophobicContact CE2-CD1 4.24Å; F563-I688 HydrophobicContact CE2-CG1 4.38Å; F563-I688 HydrophobicContact CZ-CD1 3.84Å; F563-I688 HydrophobicContact CZ-CG1 4.02Å; F563-L710 HydrophobicContact CD2-CD1 4.33Å
564	Y	93.1	Very high	84.2	Confident	99 Å²	99	55.3 Å²	55.3	39%	0.388	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.7	116.9	-178.4	-57.5	-82.8	0	0	0	109	H542 Y544 Q708	H542-Y564 HydrophobicContact CB-CD1 4.15Å; Y544-Y564 WeakPolarHBondContact CD2-OH 3.49Å; Y564-Q708 PolarHBondContact O-OE1 2.71Å
565	S	90.4	Very high	85.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	129.9	175.1	-179.3	0	0	0	0	110.1	C540 I541 H570 Y686	C540-S565 CarbonylContact C-O 3.59Å; C540-S565 VanDerWaalsContact CA-O 3.31Å; C540-S565 WeakPolarHBondContact CA-O 3.32Å; I541-S565 PolarHBondContact N-O 3.38Å; I541-S565 PolarHBondContact O-N 2.95Å; S565-H570 PolarHBondContact OG-O 3.31Å; S565-Y686 WeakPolarHBondContact OG-CD1 3.39Å; S565-Y686 WeakPolarHBondContact OG-CE1 3.28Å
566	D	81.6	Confident	85.7	Confident	52 Å²	52	47.5 Å²	47.5	28%	0.278	26%	0.258	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	151.7	-163.3	-49.3	-2.4	0	0	0	110	H542 S568 K569	H542-D566 IonicContact CD2-OD1 2.65Å; H542-D566 PolarHBondContact CD2-OD1 2.84Å; H542-D566 IonicContact CE1-OD1 3.18Å; H542-D566 IonicContact NE2-OD1 3.95Å; H542-D566 PolarHBondContact NE2-OD1 3.43Å; D566-S568 PolarHBondContact O-N 3.49Å; D566-K569 CarbonylContact C-O 3.54Å; D566-K569 WeakPolarHBondContact CA-O 3.45Å; D566-K569 PolarHBondContact N-O 3.4Å; D566-K569 CarbonylContact O-C 3.53Å; D566-K569 PolarHBondContact O-N 2.97Å
567	G	67.1	Low	86.3	Confident	39 Å²	39	41.4 Å²	41.4	40%	0.402	22%	0.223	S	C	.	.	S	Bend	trans	-53.9	-32.9	-173.6	0	0	0	0	0	116	N539 K571 Y686	N539-G567 VanDerWaalsContact O-CA 3.23Å; N539-G567 WeakPolarHBondContact O-CA 3.45Å; N539-G567 PolarHBondContact O-N 3.4Å; G567-K571 WeakPolarHBondContact O-CE 3.4Å; G567-Y686 WeakPolarHBondContact CA-OH 3.21Å; G567-Y686 PolarHBondContact N-OH 3.3Å
568	S	70.5	Confident	86.3	Confident	93 Å²	93	35.5 Å²	35.5	65%	0.65	19%	0.192	S	C	*	.	S	Bend	trans	-104.5	-14.5	-179.5	58.4	0	0	0	0	114.3	D566	D566-S568 PolarHBondContact O-N 3.49Å
569	K	76.9	Confident	86	Confident	109 Å²	109	38 Å²	38	47%	0.474	21%	0.206	S	C	.	.	S	Bend	trans	-140.6	145.2	-173.2	-63.8	-177.4	-176.9	176.1	0	110.5	D566 K571 P705	D566-K569 CarbonylContact C-O 3.54Å; D566-K569 WeakPolarHBondContact CA-O 3.45Å; D566-K569 PolarHBondContact N-O 3.4Å; D566-K569 CarbonylContact O-C 3.53Å; D566-K569 PolarHBondContact O-N 2.97Å; K569-K571 PolarHBondContact O-N 2.83Å; K569-P705 HydrophobicContact CG-CB 4.42Å
570	H	83.2	Confident	85.4	Confident	56 Å²	56	37.4 Å²	37.4	26%	0.259	22%	0.218	S	C	.	.			trans	63.9	34.4	177.5	-43.8	140.6	0	0	0	114.7	S565 I572 P705 Q706 Q708	S565-H570 PolarHBondContact OG-O 3.31Å; H570-I572 VanDerWaalsContact C-N 3.31Å; H570-I572 PolarHBondContact O-N 2.82Å; H570-P705 PolarHBondContact N-O 3.48Å; H570-Q706 CarbonylContact C-O 3.57Å; H570-Q706 WeakPolarHBondContact CA-O 3.49Å; H570-Q708 HydrophobicContact CB-CB 3.79Å; H570-Q708 HydrophobicContact CB-CG 4.46Å
571	K	86.4	Confident	84.8	Confident	13 Å²	13	33.2 Å²	33.2	6%	0.057	20%	0.2	C	C	.	.	S	Bend	trans	-63.5	-36.9	175.9	-78.2	-69.8	-169.8	165.8	0	113	G567 K569 C684 Y686 T687 Q706	G567-K571 WeakPolarHBondContact O-CE 3.4Å; K569-K571 PolarHBondContact O-N 2.83Å; K571-C684 HydrophobicContact CB-CB 4.34Å; K571-C684 WeakPolarHBondContact CD-O 3.25Å; K571-C684 WeakPolarHBondContact CE-O 3.47Å; K571-C684 HydrophobicContact CG-CB 4.3Å; K571-C684 PolarHBondContact NZ-O 2.87Å; K571-C684 VanDerWaalsContact NZ-O 3.14Å; K571-Y686 HydrophobicContact CD-CD1 4.34Å; K571-Y686 HydrophobicContact CD-CE1 4Å; K571-Y686 HydrophobicContact CD-CE2 4.46Å; K571-Y686 VanDerWaalsContact NZ-CE2 3.27Å; K571-Y686 VanDerWaalsContact NZ-CZ 3.28Å; K571-Y686 PolarHBondContact NZ-OH 2.78Å; K571-Y686 VanDerWaalsContact NZ-OH 3.09Å; K571-T687 PolarHBondContact O-N 3Å; K571-Q706 PolarHBondContact N-O 3.39Å
572	I	90.8	Very high	84.3	Confident	0 Å²	0	33 Å²	33	0%	0	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	123.8	173.3	-57.1	-158.1	0	0	0	109	H570 A675 L678 L679 T687 I689 Q706 V707 Q708	H570-I572 VanDerWaalsContact C-N 3.31Å; H570-I572 PolarHBondContact O-N 2.82Å; I572-A675 HydrophobicContact CD1-CB 4.24Å; I572-L678 HydrophobicContact CD1-CB 4.16Å; I572-L679 HydrophobicContact CB-CD2 4.44Å; I572-L679 HydrophobicContact CD1-CD1 4.03Å; I572-L679 HydrophobicContact CD1-CD2 3.83Å; I572-L679 HydrophobicContact CD1-CG 3.51Å; I572-L679 HydrophobicContact CG1-CD2 3.8Å; I572-L679 HydrophobicContact CG1-CG 4.09Å; I572-T687 CarbonylContact C-O 3.59Å; I572-T687 VanDerWaalsContact CA-O 3.27Å; I572-T687 WeakPolarHBondContact CA-O 3.43Å; I572-I689 HydrophobicContact CG2-CD1 4.09Å; I572-I689 HydrophobicContact CG2-CG1 4.47Å; I572-Q706 PolarHBondContact N-O 2.99Å; I572-Q706 VanDerWaalsContact N-O 3.11Å; I572-V707 HydrophobicContact CB-CG2 4.5Å; I572-V707 CarbonylContact O-C 3.59Å; I572-V707 VanDerWaalsContact O-CA 3.28Å; I572-V707 WeakPolarHBondContact O-CA 3.47Å; I572-Q708 PolarHBondContact O-N 2.89Å
573	T	92.3	Very high	83.9	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.4	174	-52.5	0	0	0	0	109.7	F563 T687 I688 I689 Q708 L710	F563-T573 HydrophobicContact CE2-CG2 4.07Å; F563-T573 WeakPolarHBondContact CE2-OG1 3.41Å; T573-T687 PolarHBondContact N-O 3.5Å; T573-I688 CarbonylContact O-C 3.32Å; T573-I688 WeakPolarHBondContact O-CA 3.38Å; T573-I689 PolarHBondContact O-N 3.41Å; T573-Q708 CarbonylContact C-O 3.55Å; T573-Q708 WeakPolarHBondContact CA-O 3.35Å; T573-Q708 HydrophobicContact CG2-CB 4.33Å; T573-Q708 HydrophobicContact CG2-CG 4.46Å; T573-Q708 PolarHBondContact OG1-OE1 3.37Å; T573-L710 HydrophobicContact CG2-CB 4.32Å; T573-L710 HydrophobicContact CG2-CD1 3.54Å; T573-L710 HydrophobicContact CG2-CG 3.72Å
574	L	91.4	Very high	83.6	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	113.9	172.8	-69.8	161.6	0	0	0	109.1	I689 I696 L697 L700 V707 Q708 Y709 L710	L574-I689 WeakPolarHBondContact CA-O 3.36Å; L574-I689 HydrophobicContact CD2-CB 3.87Å; L574-I689 HydrophobicContact CD2-CD1 4.31Å; L574-I689 HydrophobicContact CD2-CG2 4.11Å; L574-I696 HydrophobicContact CD2-CG2 4.32Å; L574-L697 HydrophobicContact CB-CD2 3.76Å; L574-L697 HydrophobicContact CD1-CD2 4.06Å; L574-L697 HydrophobicContact CD2-CD2 4.43Å; L574-L697 HydrophobicContact CG-CD2 4.3Å; L574-L700 HydrophobicContact CD1-CB 3.85Å; L574-L700 HydrophobicContact CD1-CD1 3.74Å; L574-L700 HydrophobicContact CD1-CG 4.44Å; L574-L700 HydrophobicContact CD2-CD1 3.89Å; L574-L700 HydrophobicContact CG-CD1 4.33Å; L574-V707 HydrophobicContact CD1-CG1 3.47Å; L574-V707 VanDerWaalsContact CD1-CG1 3.47Å; L574-V707 HydrophobicContact CG-CG1 4.1Å; L574-Q708 PolarHBondContact N-O 2.87Å; L574-Y709 HydrophobicContact CB-CD1 4.09Å; L574-Y709 HydrophobicContact CB-CE1 4.36Å; L574-Y709 HydrophobicContact CD1-CD1 3.99Å; L574-Y709 HydrophobicContact CD1-CE1 3.4Å; L574-Y709 HydrophobicContact CG-CE1 4.49Å; L574-L710 PolarHBondContact O-N 3.26Å; L574-L710 VanDerWaalsContact O-O 3.14Å
575	L	91.2	Very high	83.4	Confident	0 Å²	0	32 Å²	32	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	122.2	179.2	-178.3	66.3	0	0	0	110.8	K583 Y586 M587 I689 A690 T691 L710 M712	L575-K583 HydrophobicContact CD2-CB 3.88Å; L575-K583 HydrophobicContact CD2-CG 4.19Å; L575-K583 HydrophobicContact CG-CB 4.48Å; L575-K583 HydrophobicContact CG-CG 4.28Å; L575-Y586 HydrophobicContact CD1-CD1 4.26Å; L575-Y586 HydrophobicContact CD1-CE1 4.39Å; L575-Y586 HydrophobicContact CD2-CD1 3.64Å; L575-Y586 HydrophobicContact CD2-CE1 4.37Å; L575-Y586 HydrophobicContact CD2-CG 4.45Å; L575-M587 HydrophobicContact CD2-CG 4.03Å; L575-I689 PolarHBondContact N-O 2.68Å; L575-A690 HydrophobicContact CB-CB 4.4Å; L575-A690 HydrophobicContact CD2-CB 4.46Å; L575-A690 VanDerWaalsContact O-CA 3.3Å; L575-A690 WeakPolarHBondContact O-CA 3.4Å; L575-T691 PolarHBondContact O-N 3.24Å; L575-L710 WeakPolarHBondContact CA-O 3.43Å; L575-L710 HydrophobicContact CD1-CB 3.74Å; L575-M712 HydrophobicContact CD1-CG 4.38Å; L575-M712 HydrophobicContact CD1-SD 3.99Å
576	T	87.5	Confident	83.6	Confident	2 Å²	2	32.4 Å²	32.4	1%	0.012	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	160.5	-179.3	60.7	0	0	0	0	111.7	L697 L710 T711 M712	T576-L697 HydrophobicContact CG2-CD1 3.45Å; T576-L697 VanDerWaalsContact CG2-CD1 3.45Å; T576-L697 HydrophobicContact CG2-CD2 3.55Å; T576-L697 HydrophobicContact CG2-CG 4.05Å; T576-L710 PolarHBondContact N-O 2.71Å; T576-L710 PolarHBondContact OG1-O 2.84Å; T576-L710 VanDerWaalsContact OG1-O 3.07Å; T576-T711 CarbonylContact O-C 3.38Å; T576-T711 VanDerWaalsContact O-CA 3.26Å; T576-T711 WeakPolarHBondContact O-CA 3.28Å; T576-T711 PolarHBondContact O-OG1 2.83Å; T576-T711 WeakPolarHBondContact OG1-CB 3.43Å; T576-T711 PolarHBondContact OG1-OG1 3.29Å; T576-M712 PolarHBondContact O-N 3.43Å
577	G	81.7	Confident	84.2	Confident	10 Å²	10	30 Å²	30	10%	0.103	19%	0.191	C	C	.	.			trans	152.2	162.6	174.3	0	0	0	0	0	112.5	K583	G577-K583 PolarHBondContact O-NZ 3.3Å
578	P	77	Confident	85.4	Confident	11 Å²	11	29.7 Å²	29.7	7%	0.071	18%	0.179	C	C	.	.			trans	-58.6	163.2	177.3	-25.3	36	0	0	0	113.7	S581 K583 T714	P578-S581 VanDerWaalsContact O-CB 3.25Å; P578-S581 WeakPolarHBondContact O-CB 3.38Å; P578-S581 PolarHBondContact O-N 3.46Å; P578-S581 PolarHBondContact O-OG 3.11Å; P578-K583 PolarHBondContact O-NZ 3.45Å; P578-T714 HydrophobicContact CG-CG2 3.86Å
579	N	75.6	Confident	86.6	Confident	94 Å²	94	25.7 Å²	25.7	50%	0.503	15%	0.151	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.5	141.7	172.5	-71.2	-3.3	0	0	0	109.8	S581 E657	N579-S581 PolarHBondContact O-N 3.48Å; N579-E657 PolarHBondContact OD1-OE1 2.98Å
580	G	74.9	Confident	87.5	Confident	61 Å²	61	20.6 Å²	20.6	63%	0.629	13%	0.129	S	C	*	.	T	Hydrogen-bonded Turn	trans	76.9	2.1	-173.6	0	0	0	0	0	114.9	G582 Y725	G580-G582 PolarHBondContact O-N 3.24Å; G580-Y725 VanDerWaalsContact O-CE1 3.25Å; G580-Y725 WeakPolarHBondContact O-CE1 3.48Å
581	S	81.6	Confident	88.1	Confident	1 Å²	1	18 Å²	18	1%	0.007	12%	0.117	C	C	.	.	S	Bend	trans	-77.3	-0.1	179.7	77	0	0	0	0	114.9	P578 N579 M712 C723 Y725	P578-S581 VanDerWaalsContact O-CB 3.25Å; P578-S581 WeakPolarHBondContact O-CB 3.38Å; P578-S581 PolarHBondContact O-N 3.46Å; P578-S581 PolarHBondContact O-OG 3.11Å; N579-S581 PolarHBondContact O-N 3.48Å; S581-M712 WeakPolarHBondContact O-CE 3.21Å; S581-M712 VanDerWaalsContact OG-CB 3.29Å; S581-M712 WeakPolarHBondContact OG-CB 3.37Å; S581-M712 VanDerWaalsContact OG-CG 3.3Å; S581-M712 WeakPolarHBondContact OG-CG 3.02Å; S581-C723 VanDerWaalsContact CB-SG 3.52Å; S581-Y725 WeakPolarHBondContact O-CD1 3.47Å
582	G	85.6	Confident	88.6	Confident	12 Å²	12	17.3 Å²	17.3	12%	0.124	11%	0.114	C	C	.	.	S	Bend	trans	95.4	7.9	-179.7	0	0	0	0	0	116.6	G580 S584 I585 Y586	G580-G582 PolarHBondContact O-N 3.24Å; G582-S584 PolarHBondContact O-N 3.28Å; G582-I585 PolarHBondContact O-N 2.79Å; G582-I585 VanDerWaalsContact O-N 3.12Å; G582-Y586 PolarHBondContact O-N 2.97Å
583	K	88.2	Confident	88.9	Confident	9 Å²	9	17.3 Å²	17.3	4%	0.039	11%	0.114	C	C	.	.	H	α-helix	trans	-50.5	-50.5	-179.5	-62.6	-171.7	-59.9	-79.1	0	113.3	L575 G577 P578 I585 Y586 M587 A690 M712	L575-K583 HydrophobicContact CD2-CB 3.88Å; L575-K583 HydrophobicContact CD2-CG 4.19Å; L575-K583 HydrophobicContact CG-CB 4.48Å; L575-K583 HydrophobicContact CG-CG 4.28Å; G577-K583 PolarHBondContact O-NZ 3.3Å; P578-K583 PolarHBondContact O-NZ 3.45Å; K583-I585 PolarHBondContact O-N 3.39Å; K583-Y586 WeakPolarHBondContact O-CB 3.49Å; K583-Y586 PolarHBondContact O-N 2.81Å; K583-M587 PolarHBondContact O-N 3.34Å; K583-A690 HydrophobicContact CB-CB 4.47Å; K583-A690 HydrophobicContact CD-CB 4.48Å; K583-M712 HydrophobicContact CG-CG 3.7Å
584	S	88.1	Confident	89.1	Confident	48 Å²	48	17.3 Å²	17.3	34%	0.336	11%	0.114	S	C	.	.	H	α-helix	trans	-63.9	-40.3	-179.7	-49.9	0	0	0	0	112	G582 Y586 M587 K588 D656	G582-S584 PolarHBondContact O-N 3.28Å; S584-Y586 VanDerWaalsContact C-N 3.34Å; S584-Y586 PolarHBondContact O-N 3.46Å; S584-M587 PolarHBondContact O-N 3.13Å; S584-K588 VanDerWaalsContact O-CB 3.32Å; S584-K588 WeakPolarHBondContact O-CB 3.26Å; S584-K588 WeakPolarHBondContact O-CG 3.48Å; S584-K588 PolarHBondContact O-N 3.33Å; S584-D656 WeakPolarHBondContact CB-OD2 3.3Å; S584-D656 PolarHBondContact OG-OD2 2.82Å
585	I	90.2	Very high	89.4	Confident	62 Å²	62	17.3 Å²	17.3	32%	0.318	11%	0.114	S	C	.	.	H	α-helix	trans	-64	-41.8	176.6	-62.1	177.2	0	0	0	110.4	Y548 G582 K583 K588 T589	Y548-I585 HydrophobicContact CD1-CG2 4.44Å; Y548-I585 HydrophobicContact CG-CG2 4.31Å; G582-I585 PolarHBondContact O-N 2.79Å; G582-I585 VanDerWaalsContact O-N 3.12Å; K583-I585 PolarHBondContact O-N 3.39Å; I585-K588 PolarHBondContact O-N 3.22Å; I585-T589 WeakPolarHBondContact O-CB 3.49Å; I585-T589 PolarHBondContact O-N 3.22Å; I585-T589 PolarHBondContact O-OG1 3.1Å
586	Y	93.1	Very high	89.7	Confident	9 Å²	9	17.3 Å²	17.3	4%	0.035	11%	0.114	C	C	.	.	H	α-helix	trans	-60.7	-48.6	176.7	-179.8	-103.2	0	0	0	111.6	N561 S562 F563 L575 G582 K583 S584 T589 I590 L710 A727	N561-Y586 HydrophobicContact CB-CD2 3.67Å; N561-Y586 HydrophobicContact CB-CE2 3.61Å; S562-Y586 PolarHBondContact O-OH 3.33Å; F563-Y586 HydrophobicContact CD2-CE1 4.42Å; F563-Y586 WeakPolarHBondContact CD2-OH 3.3Å; L575-Y586 HydrophobicContact CD1-CD1 4.26Å; L575-Y586 HydrophobicContact CD1-CE1 4.39Å; L575-Y586 HydrophobicContact CD2-CD1 3.64Å; L575-Y586 HydrophobicContact CD2-CE1 4.37Å; L575-Y586 HydrophobicContact CD2-CG 4.45Å; G582-Y586 PolarHBondContact O-N 2.97Å; K583-Y586 WeakPolarHBondContact O-CB 3.49Å; K583-Y586 PolarHBondContact O-N 2.81Å; S584-Y586 VanDerWaalsContact C-N 3.34Å; S584-Y586 PolarHBondContact O-N 3.46Å; Y586-T589 WeakPolarHBondContact O-CB 3.41Å; Y586-T589 PolarHBondContact O-N 3.36Å; Y586-I590 HydrophobicContact CD1-CD1 3.98Å; Y586-I590 HydrophobicContact CE1-CD1 3.56Å; Y586-I590 HydrophobicContact CE2-CD1 4.43Å; Y586-I590 PolarHBondContact O-N 2.86Å; Y586-L710 HydrophobicContact CE1-CD1 3.96Å; Y586-L710 WeakPolarHBondContact OH-CD1 3.18Å; Y586-A727 HydrophobicContact CD1-CB 4.48Å; Y586-A727 HydrophobicContact CD2-CB 3.88Å; Y586-A727 HydrophobicContact CE1-CB 4.15Å; Y586-A727 HydrophobicContact CE2-CB 3.56Å; Y586-A727 HydrophobicContact CG-CB 4.32Å
587	M	94.1	Very high	90.1	Very high	0 Å²	0	17.3 Å²	17.3	0%	0	11%	0.114	C	C	.	.	H	α-helix	trans	-64.6	-41.7	176.5	-68.6	-175.2	-66.8	0	0	112.8	L575 K583 S584 T589 I590 A591 I654 D656 I688 A690	L575-M587 HydrophobicContact CD2-CG 4.03Å; K583-M587 PolarHBondContact O-N 3.34Å; S584-M587 PolarHBondContact O-N 3.13Å; M587-T589 VanDerWaalsContact C-N 3.27Å; M587-T589 PolarHBondContact O-N 3.38Å; M587-I590 PolarHBondContact O-N 3.14Å; M587-A591 PolarHBondContact O-N 3.36Å; M587-I654 HydrophobicContact CB-CG2 3.92Å; M587-I654 HydrophobicContact CG-CG2 4.34Å; M587-I654 HydrophobicContact SD-CG2 3.8Å; M587-D656 HydrophobicContact CE-CB 3.44Å; M587-D656 VanDerWaalsContact CE-CB 3.44Å; M587-D656 VanDerWaalsContact CE-OD1 3.25Å; M587-D656 WeakPolarHBondContact CE-OD1 3.34Å; M587-D656 HydrophobicContact SD-CB 4.43Å; M587-I688 HydrophobicContact CG-CG2 3.79Å; M587-I688 HydrophobicContact SD-CG2 3.96Å; M587-A690 HydrophobicContact CE-CB 3.29Å; M587-A690 HydrophobicContact SD-CB 3.49Å; M587-A690 WeakPolarHBondContact SD-CB 3.23Å
588	K	93.4	Very high	90.8	Very high	33 Å²	33	16.9 Å²	16.9	14%	0.143	11%	0.109	C	C	.	.	H	α-helix	trans	-57.7	-41.9	173.4	-77.9	-178	-176.5	-148.2	0	111.2	Y213 L214 Y548 S584 I585 I590 A591 L592	Y213-K588 HydrophobicContact CD1-CG 3.94Å; Y213-K588 HydrophobicContact CE1-CB 4.43Å; Y213-K588 HydrophobicContact CE1-CD 4.24Å; Y213-K588 HydrophobicContact CE1-CG 3.29Å; Y213-K588 WeakPolarHBondContact O-CE 3.39Å; Y213-K588 PolarHBondContact O-NZ 2.98Å; L214-K588 HydrophobicContact CD2-CB 4.35Å; L214-K588 HydrophobicContact CD2-CG 4.25Å; Y548-K588 HydrophobicContact CD2-CB 4.02Å; Y548-K588 HydrophobicContact CE1-CD 4.31Å; Y548-K588 HydrophobicContact CE2-CB 3.82Å; Y548-K588 HydrophobicContact CE2-CD 4.33Å; S584-K588 VanDerWaalsContact O-CB 3.32Å; S584-K588 WeakPolarHBondContact O-CB 3.26Å; S584-K588 WeakPolarHBondContact O-CG 3.48Å; S584-K588 PolarHBondContact O-N 3.33Å; I585-K588 PolarHBondContact O-N 3.22Å; K588-I590 PolarHBondContact O-N 3.08Å; K588-A591 PolarHBondContact O-N 3.48Å; K588-L592 WeakPolarHBondContact O-CB 3.32Å; K588-L592 PolarHBondContact O-N 3.42Å
589	T	95.5	Very high	91.7	Very high	10 Å²	10	16.3 Å²	16.3	6%	0.061	11%	0.106	C	C	.	.	H	α-helix	trans	-58	-49.1	178.3	-59.4	0	0	0	0	110.8	Y548 I585 Y586 M587 L592 I593	Y548-T589 WeakPolarHBondContact CB-OG1 3.44Å; Y548-T589 PolarHBondContact N-OG1 3.43Å; I585-T589 WeakPolarHBondContact O-CB 3.49Å; I585-T589 PolarHBondContact O-N 3.22Å; I585-T589 PolarHBondContact O-OG1 3.1Å; Y586-T589 WeakPolarHBondContact O-CB 3.41Å; Y586-T589 PolarHBondContact O-N 3.36Å; M587-T589 VanDerWaalsContact C-N 3.27Å; M587-T589 PolarHBondContact O-N 3.38Å; T589-L592 PolarHBondContact O-N 2.97Å; T589-I593 HydrophobicContact CG2-CD1 3.67Å; T589-I593 HydrophobicContact CG2-CG1 4.47Å; T589-I593 WeakPolarHBondContact O-CB 3.24Å; T589-I593 VanDerWaalsContact O-CG1 3.25Å; T589-I593 WeakPolarHBondContact O-CG1 3.27Å; T589-I593 PolarHBondContact O-N 3.3Å
590	I	96.2	Very high	92.6	Very high	2 Å²	2	11.9 Å²	11.9	1%	0.01	8%	0.082	C	C	.	.	H	α-helix	trans	-61.5	-51.9	179.9	-62.4	162.9	0	0	0	110.6	I541 I543 F563 Y586 M587 K588 L592 I593 T594 I688	I541-I590 HydrophobicContact CG2-CG2 4.24Å; I543-I590 HydrophobicContact CD1-CB 4.17Å; I543-I590 HydrophobicContact CD1-CG1 4.15Å; I543-I590 HydrophobicContact CD1-CG2 3.98Å; F563-I590 HydrophobicContact CB-CD1 3.85Å; F563-I590 HydrophobicContact CB-CG1 3.94Å; F563-I590 HydrophobicContact CD1-CD1 3.9Å; F563-I590 HydrophobicContact CD1-CG1 4.09Å; F563-I590 HydrophobicContact CD1-CG2 3.85Å; F563-I590 HydrophobicContact CD2-CD1 3.55Å; F563-I590 HydrophobicContact CD2-CG1 4.47Å; F563-I590 HydrophobicContact CE1-CD1 4.33Å; F563-I590 HydrophobicContact CE1-CG2 3.99Å; F563-I590 HydrophobicContact CE2-CD1 4.01Å; F563-I590 HydrophobicContact CG-CD1 3.47Å; F563-I590 VanDerWaalsContact CG-CD1 3.47Å; F563-I590 HydrophobicContact CG-CG1 3.92Å; F563-I590 HydrophobicContact CZ-CD1 4.38Å; Y586-I590 HydrophobicContact CD1-CD1 3.98Å; Y586-I590 HydrophobicContact CE1-CD1 3.56Å; Y586-I590 HydrophobicContact CE2-CD1 4.43Å; Y586-I590 PolarHBondContact O-N 2.86Å; M587-I590 PolarHBondContact O-N 3.14Å; K588-I590 PolarHBondContact O-N 3.08Å; I590-L592 VanDerWaalsContact C-N 3.33Å; I590-L592 PolarHBondContact O-N 3.2Å; I590-I593 PolarHBondContact O-N 2.93Å; I590-T594 PolarHBondContact O-N 3.31Å; I590-T594 PolarHBondContact O-OG1 3.12Å; I590-T594 VanDerWaalsContact O-OG1 3.12Å; I590-I688 HydrophobicContact CB-CD1 4.2Å; I590-I688 HydrophobicContact CD1-CD1 3.67Å; I590-I688 HydrophobicContact CG2-CD1 3.79Å
591	A	96	Very high	93.7	Very high	0 Å²	0	9 Å²	9	0%	0	5%	0.052	C	C	.	.	H	α-helix	trans	-58.6	-44.2	-180	0	0	0	0	0	112.9	L214 M587 K588 T594 Y595 I654	L214-A591 HydrophobicContact CD1-CB 3.98Å; L214-A591 HydrophobicContact CD2-CB 3.5Å; L214-A591 VanDerWaalsContact CD2-CB 3.5Å; L214-A591 HydrophobicContact CG-CB 4.36Å; M587-A591 PolarHBondContact O-N 3.36Å; K588-A591 PolarHBondContact O-N 3.48Å; A591-T594 PolarHBondContact O-N 2.94Å; A591-Y595 WeakPolarHBondContact O-CB 3.5Å; A591-Y595 PolarHBondContact O-N 3.25Å; A591-I654 HydrophobicContact CB-CD1 3.28Å
592	L	96.1	Very high	94.5	Very high	0 Å²	0	9.7 Å²	9.7	0%	0	5%	0.054	C	C	.	.	H	α-helix	trans	-71.5	-39	-175.8	-165.7	86.6	0	0	0	111	L214 I216 L240 Y548 P549 K588 T589 I590 Y595 L596	L214-L592 HydrophobicContact CB-CD1 3.99Å; I216-L592 HydrophobicContact CG1-CD1 4.17Å; L240-L592 HydrophobicContact CD1-CD2 4.38Å; L240-L592 HydrophobicContact CD2-CD1 3.84Å; L240-L592 HydrophobicContact CD2-CG 4.3Å; Y548-L592 HydrophobicContact CD2-CD2 4.01Å; Y548-L592 HydrophobicContact CE2-CB 4.47Å; Y548-L592 HydrophobicContact CE2-CD2 3.83Å; P549-L592 HydrophobicContact CG-CD2 3.22Å; K588-L592 WeakPolarHBondContact O-CB 3.32Å; K588-L592 PolarHBondContact O-N 3.42Å; T589-L592 PolarHBondContact O-N 2.97Å; I590-L592 VanDerWaalsContact C-N 3.33Å; I590-L592 PolarHBondContact O-N 3.2Å; L592-Y595 PolarHBondContact O-N 2.91Å; L592-L596 HydrophobicContact CD2-CD1 4.39Å; L592-L596 HydrophobicContact CG-CD1 4.42Å; L592-L596 WeakPolarHBondContact O-CB 3.26Å; L592-L596 WeakPolarHBondContact O-CG 3.45Å; L592-L596 PolarHBondContact O-N 3.38Å
593	I	97.5	Very high	95.1	Very high	0 Å²	0	9.1 Å²	9.1	0%	0	5%	0.049	C	C	.	.	H	α-helix	trans	-63.5	-45.1	174	-72.6	171	0	0	0	109.8	I543 T589 I590 Y595 L596 T597 I603 P604 A605 I610	I543-I593 HydrophobicContact CD1-CB 4.03Å; I543-I593 HydrophobicContact CD1-CD1 4.19Å; I543-I593 HydrophobicContact CD1-CG2 3.9Å; I543-I593 HydrophobicContact CG1-CG2 4.07Å; I543-I593 HydrophobicContact CG2-CD1 3.67Å; T589-I593 HydrophobicContact CG2-CD1 3.67Å; T589-I593 HydrophobicContact CG2-CG1 4.47Å; T589-I593 WeakPolarHBondContact O-CB 3.24Å; T589-I593 VanDerWaalsContact O-CG1 3.25Å; T589-I593 WeakPolarHBondContact O-CG1 3.27Å; T589-I593 PolarHBondContact O-N 3.3Å; I590-I593 PolarHBondContact O-N 2.93Å; I593-Y595 VanDerWaalsContact C-N 3.32Å; I593-Y595 PolarHBondContact O-N 2.9Å; I593-L596 PolarHBondContact O-N 3.07Å; I593-T597 PolarHBondContact O-N 2.78Å; I593-T597 PolarHBondContact O-OG1 3.39Å; I593-T597 VanDerWaalsContact O-OG1 3.1Å; I593-I603 HydrophobicContact CG2-CB 4.11Å; I593-I603 HydrophobicContact CG2-CD1 3.66Å; I593-I603 HydrophobicContact CG2-CG2 4.12Å; I593-P604 HydrophobicContact CD1-CG 4.47Å; I593-P604 HydrophobicContact CG1-CG 3.98Å; I593-A605 HydrophobicContact CD1-CB 4.28Å; I593-I610 HydrophobicContact CG2-CD1 3.62Å
594	T	96.3	Very high	95.5	Very high	0 Å²	0	8.7 Å²	8.7	0%	0	5%	0.047	C	C	.	.	H	α-helix	trans	-58.1	-45.8	173.6	-59	0	0	0	0	111.1	I590 A591 T597 H598 I610 F613 I616 L652	I590-T594 PolarHBondContact O-N 3.31Å; I590-T594 PolarHBondContact O-OG1 3.12Å; I590-T594 VanDerWaalsContact O-OG1 3.12Å; A591-T594 PolarHBondContact O-N 2.94Å; T594-T597 WeakPolarHBondContact O-CB 3.46Å; T594-T597 PolarHBondContact O-N 3.02Å; T594-H598 PolarHBondContact O-N 3.3Å; T594-H598 PolarHBondContact O-ND1 2.72Å; T594-I610 HydrophobicContact CG2-CG2 4.21Å; T594-F613 HydrophobicContact CG2-CD2 3.77Å; T594-F613 HydrophobicContact CG2-CE2 4.21Å; T594-F613 HydrophobicContact CG2-CG 4.19Å; T594-I616 HydrophobicContact CG2-CD1 4.19Å; T594-L652 HydrophobicContact CG2-CD2 4.24Å
595	Y	97.1	Very high	95.9	Very high	0 Å²	0	6.4 Å²	6.4	0%	0	3%	0.031	C	C	.	.	H	α-helix	trans	-61.5	-44.6	176.4	168.4	-92	0	0	0	113.1	V206 M211 I216 L240 M260 P263 A591 L592 I593 T597 H598 I599	V206-Y595 HydrophobicContact CG2-CD2 4.29Å; M211-Y595 HydrophobicContact CE-CE2 4.22Å; M211-Y595 HydrophobicContact SD-CE2 4.19Å; I216-Y595 HydrophobicContact CD1-CD1 3.82Å; I216-Y595 HydrophobicContact CD1-CD2 3.77Å; I216-Y595 HydrophobicContact CD1-CE1 3.76Å; I216-Y595 HydrophobicContact CD1-CE2 3.7Å; I216-Y595 HydrophobicContact CD1-CG 3.82Å; I216-Y595 HydrophobicContact CG1-CD1 4.39Å; I216-Y595 HydrophobicContact CG1-CE1 4.13Å; I216-Y595 HydrophobicContact CG2-CE1 3.98Å; I216-Y595 HydrophobicContact CG2-CE2 4.49Å; I216-Y595 VanDerWaalsContact CG2-OH 3.25Å; I216-Y595 WeakPolarHBondContact CG2-OH 3.38Å; L240-Y595 HydrophobicContact CD2-CD1 4Å; L240-Y595 HydrophobicContact CD2-CE1 3.7Å; M260-Y595 VanDerWaalsContact C-OH 3.22Å; M260-Y595 WeakPolarHBondContact CA-OH 3.33Å; M260-Y595 VanDerWaalsContact CB-OH 3.32Å; M260-Y595 WeakPolarHBondContact CB-OH 3.17Å; M260-Y595 PolarHBondContact O-OH 3.48Å; P263-Y595 HydrophobicContact CB-CD2 4.26Å; P263-Y595 HydrophobicContact CB-CE2 3.98Å; P263-Y595 HydrophobicContact CG-CD2 4.22Å; P263-Y595 HydrophobicContact CG-CE2 3.88Å; A591-Y595 WeakPolarHBondContact O-CB 3.5Å; A591-Y595 PolarHBondContact O-N 3.25Å; L592-Y595 PolarHBondContact O-N 2.91Å; I593-Y595 VanDerWaalsContact C-N 3.32Å; I593-Y595 PolarHBondContact O-N 2.9Å; Y595-T597 VanDerWaalsContact C-N 3.3Å; Y595-T597 PolarHBondContact O-N 2.85Å; Y595-H598 WeakPolarHBondContact O-CA 3.22Å; Y595-H598 PolarHBondContact O-N 3.33Å; Y595-I599 HydrophobicContact CE1-CD1 4.26Å; Y595-I599 HydrophobicContact CE1-CG2 4.09Å; Y595-I599 HydrophobicContact CE2-CG2 4.15Å; Y595-I599 PolarHBondContact O-N 2.76Å; Y595-I599 VanDerWaalsContact O-N 3.15Å
596	L	97.4	Very high	96.2	Very high	0 Å²	0	7.3 Å²	7.3	0%	0	3%	0.033	C	C	.	.	H	α-helix	trans	-62	-38.7	179.5	-81.3	172.6	0	0	0	111.9	L240 L244 W530 L592 I593 H598 I599 G600 S601 I603 P604	L240-L596 HydrophobicContact CD1-CD2 4.2Å; L240-L596 HydrophobicContact CD2-CD2 3.72Å; L240-L596 HydrophobicContact CD2-CG 4.17Å; L240-L596 HydrophobicContact CG-CD2 4.42Å; L244-L596 HydrophobicContact CD1-CD2 3.95Å; W530-L596 HydrophobicContact CH2-CD1 4.24Å; W530-L596 HydrophobicContact CZ3-CD1 4.07Å; W530-L596 HydrophobicContact CZ3-CD2 4.2Å; L592-L596 HydrophobicContact CD2-CD1 4.39Å; L592-L596 HydrophobicContact CG-CD1 4.42Å; L592-L596 WeakPolarHBondContact O-CB 3.26Å; L592-L596 WeakPolarHBondContact O-CG 3.45Å; L592-L596 PolarHBondContact O-N 3.38Å; I593-L596 PolarHBondContact O-N 3.07Å; L596-H598 VanDerWaalsContact C-N 3.29Å; L596-H598 PolarHBondContact O-N 2.62Å; L596-I599 HydrophobicContact CD2-CD1 3.77Å; L596-I599 HydrophobicContact CD2-CG1 4.38Å; L596-I599 WeakPolarHBondContact O-CG1 3.43Å; L596-I599 PolarHBondContact O-N 3.47Å; L596-G600 PolarHBondContact O-N 2.82Å; L596-S601 PolarHBondContact O-N 2.94Å; L596-S601 VanDerWaalsContact O-N 3.09Å; L596-I603 HydrophobicContact CB-CG2 3.78Å; L596-P604 VanDerWaalsContact CD1-CD 3.42Å; L596-P604 HydrophobicContact CD1-CG 4.18Å
597	T	97.1	Very high	96.4	Very high	1 Å²	1	7.8 Å²	7.8	1%	0.006	4%	0.041	C	C	.	.	H	α-helix	trans	-58	-43.3	170.6	-58.5	0	0	0	0	110.9	I270 P533 I535 I593 T594 Y595 I599 G600 I610	I270-T597 WeakPolarHBondContact CG2-O 3.4Å; P533-T597 HydrophobicContact CB-CG2 4.14Å; P533-T597 HydrophobicContact CG-CG2 4.07Å; I535-T597 HydrophobicContact CG1-CG2 4.24Å; I593-T597 PolarHBondContact O-N 2.78Å; I593-T597 PolarHBondContact O-OG1 3.39Å; I593-T597 VanDerWaalsContact O-OG1 3.1Å; T594-T597 WeakPolarHBondContact O-CB 3.46Å; T594-T597 PolarHBondContact O-N 3.02Å; Y595-T597 VanDerWaalsContact C-N 3.3Å; Y595-T597 PolarHBondContact O-N 2.85Å; T597-I599 VanDerWaalsContact C-N 3.31Å; T597-I599 PolarHBondContact O-N 3.33Å; T597-G600 PolarHBondContact O-N 3.12Å; T597-I610 HydrophobicContact CG2-CB 4.5Å
598	H	96.4	Very high	96.6	Very high	1 Å²	1	8.2 Å²	8.2	1%	0.005	5%	0.045	C	C	.	.	H	α-helix	trans	-73.9	-15.7	-177.5	-73.3	70	0	0	0	114.4	L204 P263 I264 T594 Y595 L596 F613	L204-H598 HydrophobicContact CB-CB 4.38Å; L204-H598 HydrophobicContact CD2-CB 3.73Å; P263-H598 HydrophobicContact CB-CB 4.11Å; I264-H598 WeakPolarHBondContact CA-O 3.49Å; I264-H598 WeakPolarHBondContact CB-O 3.38Å; I264-H598 PolarHBondContact N-O 3.26Å; I264-H598 VanDerWaalsContact O-CB 3.25Å; I264-H598 WeakPolarHBondContact O-CB 3.37Å; I264-H598 PolarHBondContact O-CD2 3.19Å; I264-H598 VanDerWaalsContact O-O 3.13Å; T594-H598 PolarHBondContact O-N 3.3Å; T594-H598 PolarHBondContact O-ND1 2.72Å; Y595-H598 WeakPolarHBondContact O-CA 3.22Å; Y595-H598 PolarHBondContact O-N 3.33Å; L596-H598 VanDerWaalsContact C-N 3.29Å; L596-H598 PolarHBondContact O-N 2.62Å; H598-F613 AromaticContact CE1-CD2 3.86Å; H598-F613 PolarHBondContact NE2-N 3.29Å
599	I	95.1	Very high	96.7	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.059	C	C	.	.	T	Hydrogen-bonded Turn	trans	-89	-4.7	168.7	66	170.6	0	0	0	112.5	L244 M260 P263 R273 F521 Y595 L596 T597	L244-I599 HydrophobicContact CD1-CD1 3.77Å; M260-I599 HydrophobicContact CG-CD1 4.35Å; P263-I599 HydrophobicContact CB-CG2 3.88Å; R273-I599 WeakPolarHBondContact CD-O 3.48Å; R273-I599 PolarHBondContact NH1-O 2.98Å; F521-I599 HydrophobicContact CE1-CD1 4.15Å; F521-I599 HydrophobicContact CZ-CB 4.5Å; F521-I599 HydrophobicContact CZ-CD1 3.84Å; F521-I599 HydrophobicContact CZ-CG1 4.18Å; Y595-I599 HydrophobicContact CE1-CD1 4.26Å; Y595-I599 HydrophobicContact CE1-CG2 4.09Å; Y595-I599 HydrophobicContact CE2-CG2 4.15Å; Y595-I599 PolarHBondContact O-N 2.76Å; Y595-I599 VanDerWaalsContact O-N 3.15Å; L596-I599 HydrophobicContact CD2-CD1 3.77Å; L596-I599 HydrophobicContact CD2-CG1 4.38Å; L596-I599 WeakPolarHBondContact O-CG1 3.43Å; L596-I599 PolarHBondContact O-N 3.47Å; T597-I599 VanDerWaalsContact C-N 3.31Å; T597-I599 PolarHBondContact O-N 3.33Å
600	G	95.9	Very high	96.7	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.	T	Hydrogen-bonded Turn	trans	75.5	29.5	-175.8	0	0	0	0	0	113.7	L596 T597	L596-G600 PolarHBondContact O-N 2.82Å; T597-G600 PolarHBondContact O-N 3.12Å
601	S	97.1	Very high	96.5	Very high	0 Å²	0	11 Å²	11	0%	0	6%	0.056	C	C	.	.			trans	-99.3	161.8	175.4	-163	0	0	0	0	111.1	L274 L596	L274-S601 WeakPolarHBondContact CD2-O 3.42Å; L596-S601 PolarHBondContact O-N 2.94Å; L596-S601 VanDerWaalsContact O-N 3.09Å
602	Y	98	Very high	96.3	Very high	17 Å²	17	11.6 Å²	11.6	7%	0.067	6%	0.06	C	C	.	.			trans	-69.6	163.3	166.8	-82	-144.2	0	0	0	109.5	L274 V277 E278 L281 A525 W530 T531 R532	L274-Y602 HydrophobicContact CD2-CD2 3.99Å; L274-Y602 HydrophobicContact CD2-CE2 4.22Å; V277-Y602 HydrophobicContact CB-CD2 4.24Å; V277-Y602 HydrophobicContact CB-CE2 3.93Å; V277-Y602 HydrophobicContact CG1-CD2 3.56Å; V277-Y602 HydrophobicContact CG1-CE2 3.48Å; V277-Y602 VanDerWaalsContact CG1-CE2 3.48Å; V277-Y602 HydrophobicContact CG1-CG 4.25Å; E278-Y602 VanDerWaalsContact CA-OH 3.27Å; E278-Y602 WeakPolarHBondContact CA-OH 3.46Å; E278-Y602 VanDerWaalsContact CB-OH 3.25Å; E278-Y602 WeakPolarHBondContact CB-OH 3.35Å; L281-Y602 HydrophobicContact CD1-CD1 3.95Å; L281-Y602 HydrophobicContact CD1-CE1 3.39Å; L281-Y602 HydrophobicContact CD1-CE2 4.46Å; A525-Y602 HydrophobicContact CB-CD1 3.87Å; A525-Y602 HydrophobicContact CB-CG 3.91Å; W530-Y602 WeakPolarHBondContact O-CD1 3.46Å; T531-Y602 WeakPolarHBondContact O-CA 3.25Å; T531-Y602 WeakPolarHBondContact O-CB 3.27Å; R532-Y602 HydrophobicContact CB-CD1 4.42Å; R532-Y602 HydrophobicContact CB-CD2 4.4Å; R532-Y602 HydrophobicContact CB-CE1 3.88Å; R532-Y602 HydrophobicContact CB-CE2 3.87Å; R532-Y602 HydrophobicContact CG-CE2 3.93Å
603	I	97.9	Very high	96.2	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.06	C	C	.	.	B	Isolated β-bridge	trans	-123.5	149	-170.3	58.5	160.4	0	0	0	112.8	W530 T531 P533 I593 L596 A605 A608	W530-I603 WeakPolarHBondContact CA-O 3.46Å; W530-I603 VanDerWaalsContact CB-O 3.23Å; W530-I603 WeakPolarHBondContact CB-O 3.44Å; T531-I603 PolarHBondContact N-O 3.37Å; T531-I603 VanDerWaalsContact O-CG1 3.32Å; T531-I603 WeakPolarHBondContact O-CG1 3.28Å; T531-I603 PolarHBondContact O-N 2.89Å; P533-I603 HydrophobicContact CB-CD1 3.93Å; P533-I603 HydrophobicContact CB-CG1 4.18Å; P533-I603 HydrophobicContact CB-CG2 4.3Å; P533-I603 HydrophobicContact CG-CG1 4.49Å; P533-I603 HydrophobicContact CG-CG2 4.1Å; I593-I603 HydrophobicContact CG2-CB 4.11Å; I593-I603 HydrophobicContact CG2-CD1 3.66Å; I593-I603 HydrophobicContact CG2-CG2 4.12Å; L596-I603 HydrophobicContact CB-CG2 3.78Å; I603-A605 HydrophobicContact CD1-CB 3.88Å; I603-A605 HydrophobicContact CG1-CB 4.31Å; I603-A605 PolarHBondContact O-N 3.28Å; I603-A608 HydrophobicContact CD1-CB 3.23Å
604	P	96.4	Very high	95.9	Very high	0 Å²	0	13.5 Å²	13.5	0%	0	7%	0.07	C	C	.	.	S	Bend	trans	-75.9	70.2	174.4	31.6	-36.2	0	0	0	111.1	G546 W547 P549 I593 L596	G546-P604 CarbonylContact C-O 3.53Å; G546-P604 VanDerWaalsContact CA-O 3.28Å; G546-P604 WeakPolarHBondContact CA-O 3.13Å; W547-P604 HydrophobicContact CD2-CB 3.97Å; W547-P604 VanDerWaalsContact CE3-O 3.32Å; W547-P604 HydrophobicContact CG-CB 4.21Å; W547-P604 HydrophobicContact CZ2-CB 3.98Å; W547-P604 PolarHBondContact N-O 2.87Å; W547-P604 WeakPolarHBondContact O-CB 3.23Å; W547-P604 WeakPolarHBondContact O-CG 3.36Å; P549-P604 HydrophobicContact CB-CB 4.22Å; P549-P604 HydrophobicContact CB-CG 4.19Å; P549-P604 HydrophobicContact CG-CG 3.98Å; I593-P604 HydrophobicContact CD1-CG 4.47Å; I593-P604 HydrophobicContact CG1-CG 3.98Å; L596-P604 VanDerWaalsContact CD1-CD 3.42Å; L596-P604 HydrophobicContact CD1-CG 4.18Å
605	A	97.2	Very high	95.7	Very high	0 Å²	0	13.7 Å²	13.7	0%	0	7%	0.071	C	C	.	.	S	Bend	trans	-149.5	163.7	175.5	0	0	0	0	0	110.5	T531 I543 I593 I603 G607	T531-A605 WeakPolarHBondContact CB-O 3.41Å; T531-A605 WeakPolarHBondContact CG2-O 3.46Å; T531-A605 PolarHBondContact OG1-O 3.39Å; I543-A605 HydrophobicContact CG2-CB 4.27Å; I593-A605 HydrophobicContact CD1-CB 4.28Å; I603-A605 HydrophobicContact CD1-CB 3.88Å; I603-A605 HydrophobicContact CG1-CB 4.31Å; I603-A605 PolarHBondContact O-N 3.28Å; A605-G607 VanDerWaalsContact C-N 3.26Å
606	E	97.1	Very high	95.5	Very high	80 Å²	80	13.7 Å²	13.7	37%	0.374	7%	0.071	S	C	.	.	S	Bend	trans	-75.7	-21.4	167.3	-73.5	179.6	-156.5	0	0	111.4	Y544 K545 K560	Y544-E606 HydrophobicContact CD1-CB 3.63Å; Y544-E606 HydrophobicContact CE1-CB 3.91Å; Y544-E606 WeakPolarHBondContact CE1-OE2 3.33Å; Y544-E606 PolarHBondContact O-N 3.27Å; K545-E606 HydrophobicContact CB-CB 4.25Å; K545-E606 HydrophobicContact CB-CG 4.16Å; K545-E606 HydrophobicContact CD-CG 4.33Å; K545-E606 VanDerWaalsContact CD-OE1 3.32Å; K545-E606 WeakPolarHBondContact CD-OE1 3.33Å; K545-E606 WeakPolarHBondContact CD-OE2 3.45Å; K545-E606 IonicContact NZ-OE1 2.94Å; K545-E606 IonicContact NZ-OE2 2.79Å; K545-E606 PolarHBondContact NZ-OE2 2.95Å; K545-E606 PolarHBondContact O-N 2.67Å; K560-E606 IonicContact NZ-OE1 2.73Å; K560-E606 PolarHBondContact NZ-OE1 2.76Å
607	G	96.6	Very high	95.3	Very high	19 Å²	19	13.8 Å²	13.8	20%	0.196	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-179.9	161.3	166.3	0	0	0	0	0	111.7	Y544 A605	Y544-G607 WeakPolarHBondContact CB-O 3.42Å; Y544-G607 PolarHBondContact N-O 2.85Å; Y544-G607 PolarHBondContact O-N 2.77Å; A605-G607 VanDerWaalsContact C-N 3.26Å
608	A	97.3	Very high	95	Very high	9 Å²	9	13.8 Å²	13.8	7%	0.074	7%	0.072	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	152.5	171.4	0	0	0	0	0	112.4	K534 H542 I543 I603 I610	K534-A608 PolarHBondContact N-O 2.85Å; H542-A608 CarbonylContact O-C 3.57Å; H542-A608 WeakPolarHBondContact O-CA 3.26Å; H542-A608 VanDerWaalsContact O-CB 3.26Å; H542-A608 WeakPolarHBondContact O-CB 3.09Å; I543-A608 HydrophobicContact CG1-CB 4.39Å; I603-A608 HydrophobicContact CD1-CB 3.23Å; A608-I610 HydrophobicContact CB-CD1 3.96Å; A608-I610 HydrophobicContact CB-CG1 4.05Å
609	K	95.8	Very high	94.7	Very high	103 Å²	103	13.9 Å²	13.9	45%	0.448	7%	0.072	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	118.5	163.7	-59.2	178.2	176.8	-178.2	0	107.8	K534 V536 H542	K534-K609 HydrophobicContact CB-CG 4.25Å; K534-K609 CarbonylContact O-C 3.58Å; K534-K609 VanDerWaalsContact O-CA 3.29Å; K534-K609 WeakPolarHBondContact O-CA 2.97Å; V536-K609 HydrophobicContact CG1-CB 4.5Å; V536-K609 HydrophobicContact CG2-CB 4.48Å; H542-K609 HydrophobicContact CB-CB 4.13Å; H542-K609 PolarHBondContact N-O 3.44Å; H542-K609 PolarHBondContact O-N 3.48Å
610	I	95.1	Very high	94.1	Very high	0 Å²	0	14.1 Å²	14.1	0%	0	7%	0.074	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	128.9	-172.2	-60.2	-180	0	0	0	108.4	K534 I535 V536 I543 I593 T594 T597 A608 F613	K534-I610 PolarHBondContact O-N 2.77Å; I535-I610 WeakPolarHBondContact CA-O 3.25Å; V536-I610 PolarHBondContact N-O 3.03Å; I543-I610 HydrophobicContact CG1-CD1 4.37Å; I593-I610 HydrophobicContact CG2-CD1 3.62Å; T594-I610 HydrophobicContact CG2-CG2 4.21Å; T597-I610 HydrophobicContact CG2-CB 4.5Å; A608-I610 HydrophobicContact CB-CD1 3.96Å; A608-I610 HydrophobicContact CB-CG1 4.05Å; I610-F613 HydrophobicContact CG2-CD2 4.35Å; I610-F613 HydrophobicContact CG2-CE2 4.03Å
611	S	93	Very high	92.7	Very high	2 Å²	2	14.2 Å²	14.2	1%	0.014	8%	0.075	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.5	166.9	172.4	60.7	0	0	0	0	112.5	V536 E538 C540 F613	V536-S611 VanDerWaalsContact O-CA 3.26Å; V536-S611 WeakPolarHBondContact O-CA 3.49Å; V536-S611 WeakPolarHBondContact O-CB 3.29Å; E538-S611 WeakPolarHBondContact O-CB 3.35Å; C540-S611 PolarHBondContact N-OG 2.84Å; C540-S611 PolarHBondContact O-N 3.37Å; C540-S611 PolarHBondContact O-OG 2.84Å; S611-F613 WeakPolarHBondContact O-CD2 3.26Å; S611-F613 WeakPolarHBondContact O-CE2 3.4Å; S611-F613 WeakPolarHBondContact OG-CE2 3.39Å
612	T	92.9	Very high	91	Very high	12 Å²	12	18.3 Å²	18.3	7%	0.074	10%	0.1	C	C	.	.			trans	-69	139.5	169.7	48.7	0	0	0	0	110.9	S265 E267 I535 K650	S265-T612 VanDerWaalsContact O-CG2 3.27Å; S265-T612 WeakPolarHBondContact O-CG2 3.45Å; E267-T612 HydrophobicContact CB-CG2 4.13Å; I535-T612 HydrophobicContact CG2-CG2 4.14Å; T612-K650 VanDerWaalsContact O-CD 3.31Å; T612-K650 WeakPolarHBondContact O-CD 3.33Å; T612-K650 WeakPolarHBondContact O-CG 3.32Å; T612-K650 PolarHBondContact OG1-NZ 2.93Å
613	F	93.3	Very high	89	Confident	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.			trans	-119.1	148.2	179.1	-76.6	-98.4	0	0	0	110.2	L204 S265 I541 T594 H598 I610 S611 K650 L652 Y686	L204-F613 VanDerWaalsContact CD1-C 3.49Å; L204-F613 HydrophobicContact CD1-CB 3.65Å; L204-F613 WeakPolarHBondContact CD1-O 3.41Å; S265-F613 VanDerWaalsContact CB-O 3.3Å; S265-F613 WeakPolarHBondContact CB-O 3.08Å; I541-F613 HydrophobicContact CD1-CE1 4.03Å; I541-F613 HydrophobicContact CD1-CE2 4.12Å; I541-F613 HydrophobicContact CD1-CZ 3.44Å; I541-F613 VanDerWaalsContact CD1-CZ 3.44Å; I541-F613 HydrophobicContact CG1-CE1 4.45Å; I541-F613 HydrophobicContact CG1-CE2 3.83Å; I541-F613 HydrophobicContact CG1-CZ 3.42Å; I541-F613 VanDerWaalsContact CG1-CZ 3.42Å; T594-F613 HydrophobicContact CG2-CD2 3.77Å; T594-F613 HydrophobicContact CG2-CE2 4.21Å; T594-F613 HydrophobicContact CG2-CG 4.19Å; H598-F613 AromaticContact CE1-CD2 3.86Å; H598-F613 PolarHBondContact NE2-N 3.29Å; I610-F613 HydrophobicContact CG2-CD2 4.35Å; I610-F613 HydrophobicContact CG2-CE2 4.03Å; S611-F613 WeakPolarHBondContact O-CD2 3.26Å; S611-F613 WeakPolarHBondContact O-CE2 3.4Å; S611-F613 WeakPolarHBondContact OG-CE2 3.39Å; F613-K650 CarbonylContact C-O 3.59Å; F613-K650 VanDerWaalsContact CA-O 3.24Å; F613-K650 WeakPolarHBondContact CA-O 3.3Å; F613-K650 WeakPolarHBondContact CB-O 3.32Å; F613-K650 WeakPolarHBondContact CD1-O 2.95Å; F613-L652 HydrophobicContact CD1-CB 3.83Å; F613-L652 HydrophobicContact CE1-CB 3.94Å; F613-Y686 AromaticContact CE1-CD2 3.52Å; F613-Y686 HydrophobicContact CE1-CD2 3.52Å; F613-Y686 HydrophobicContact CE1-CE2 4.26Å; F613-Y686 HydrophobicContact CE1-CG 4.07Å; F613-Y686 AromaticContact CZ-CD2 3.71Å; F613-Y686 HydrophobicContact CZ-CD2 3.71Å; F613-Y686 HydrophobicContact CZ-CE2 4.11Å; F613-Y686 HydrophobicContact CZ-CG 4.19Å
614	D	90.5	Very high	86.5	Confident	40 Å²	40	21.8 Å²	21.8	21%	0.214	13%	0.125	C	C	.	.	S	Bend	trans	-94.9	-35.1	178.6	-61.6	-28.4	0	0	0	110.8	Q199 L204 F205 T648 K650	Q199-D614 PolarHBondContact NE2-O 3.44Å; L204-D614 CarbonylContact C-O 3.59Å; F205-D614 PolarHBondContact N-O 3.44Å; D614-T648 WeakPolarHBondContact OD2-CB 3.43Å; D614-T648 PolarHBondContact OD2-OG1 3.14Å; D614-K650 HydrophobicContact CB-CB 4.45Å; D614-K650 PolarHBondContact N-O 2.96Å; D614-K650 WeakPolarHBondContact OD2-CB 3.42Å
615	A	91.7	Very high	84.2	Confident	3 Å²	3	24.2 Å²	24.2	3%	0.025	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	146.4	-178.3	0	0	0	0	0	113	F205 T651 L652	F205-A615 HydrophobicContact CB-CB 3.97Å; F205-A615 HydrophobicContact CD1-CB 4.22Å; F205-A615 CarbonylContact O-C 3.47Å; F205-A615 VanDerWaalsContact O-CA 3.31Å; F205-A615 WeakPolarHBondContact O-CA 3.44Å; A615-T651 HydrophobicContact CB-CG2 4.17Å; A615-L652 PolarHBondContact O-N 2.95Å
616	I	94.3	Very high	81.7	Confident	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	115.5	165.5	-56.6	-179.8	0	0	0	108.4	L204 F205 V206 T594 I618 L652	L204-I616 HydrophobicContact CD1-CG1 4.11Å; L204-I616 HydrophobicContact CD2-CD1 3.76Å; L204-I616 HydrophobicContact CD2-CG1 4.04Å; L204-I616 HydrophobicContact CG-CG1 4.43Å; F205-I616 PolarHBondContact O-N 3.44Å; V206-I616 HydrophobicContact CG2-CB 4.29Å; V206-I616 HydrophobicContact CG2-CD1 4.5Å; T594-I616 HydrophobicContact CG2-CD1 4.19Å; I616-I618 HydrophobicContact CG2-CG1 4.23Å; I616-L652 CarbonylContact C-O 3.6Å; I616-L652 WeakPolarHBondContact CA-O 3.39Å; I616-L652 HydrophobicContact CG1-CB 4.35Å; I616-L652 HydrophobicContact CG1-CD2 4.41Å; I616-L652 HydrophobicContact CG2-CD2 4.4Å
617	H	92.6	Very high	79.4	Confident	3 Å²	3	39.8 Å²	39.8	1%	0.014	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.1	130.1	175	-64.6	-69.4	0	0	0	110.7	F205 A643 L652 I653 I654	F205-H617 AromaticContact CD1-CE1 3.68Å; F205-H617 AromaticContact CE1-CE1 3.62Å; H617-A643 HydrophobicContact CB-CB 3.75Å; H617-L652 PolarHBondContact N-O 2.58Å; H617-I653 CarbonylContact O-C 3.57Å; H617-I653 WeakPolarHBondContact O-CA 3.33Å; H617-I654 PolarHBondContact O-N 3.48Å
618	I	91.3	Very high	77.2	Confident	1 Å²	1	40.6 Å²	40.6	1%	0.005	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	110.4	178.9	-55.9	-170.5	0	0	0	108.8	A210 Y213 L214 I616 M639 I654	A210-I618 HydrophobicContact CB-CB 4.11Å; A210-I618 HydrophobicContact CB-CD1 3.79Å; A210-I618 HydrophobicContact CB-CG1 3.7Å; Y213-I618 HydrophobicContact CD1-CB 4.49Å; Y213-I618 HydrophobicContact CD1-CD1 3.38Å; Y213-I618 HydrophobicContact CD1-CG1 4.42Å; Y213-I618 HydrophobicContact CD1-CG2 3.59Å; Y213-I618 HydrophobicContact CD2-CG2 3.93Å; Y213-I618 HydrophobicContact CE1-CD1 4.01Å; Y213-I618 HydrophobicContact CE1-CG2 3.86Å; Y213-I618 HydrophobicContact CE2-CG2 4.22Å; Y213-I618 HydrophobicContact CG-CD1 4.1Å; Y213-I618 HydrophobicContact CG-CG2 3.6Å; L214-I618 HydrophobicContact CD1-CD1 3.91Å; L214-I618 HydrophobicContact CD2-CD1 3.79Å; L214-I618 HydrophobicContact CG-CD1 3.57Å; I616-I618 HydrophobicContact CG2-CG1 4.23Å; I618-M639 WeakPolarHBondContact O-CE 3.24Å; I618-I654 CarbonylContact C-O 3.59Å; I618-I654 WeakPolarHBondContact CA-O 3.4Å
619	L	88.9	Confident	75.3	Confident	3 Å²	3	48.5 Å²	48.5	2%	0.016	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	102.5	179.5	-49.4	-174.3	0	0	0	108.6	M639 A640 A643 I653 I654 M655 D656 F658 M674	L619-M639 VanDerWaalsContact CD2-C 3.42Å; L619-M639 HydrophobicContact CD2-CB 3.6Å; L619-A640 HydrophobicContact CD1-CB 3.91Å; L619-A640 HydrophobicContact CD2-CB 4.4Å; L619-A643 HydrophobicContact CD2-CB 4.38Å; L619-I653 HydrophobicContact CD1-CG2 4.11Å; L619-I653 HydrophobicContact CG-CG2 4.33Å; L619-I654 PolarHBondContact N-O 2.99Å; L619-M655 HydrophobicContact CB-CG 4.29Å; L619-M655 HydrophobicContact CD1-CE 3.99Å; L619-M655 HydrophobicContact CD1-CG 4Å; L619-M655 HydrophobicContact CD1-SD 4.27Å; L619-M655 HydrophobicContact CG-CG 4.44Å; L619-M655 WeakPolarHBondContact O-CA 3.36Å; L619-D656 PolarHBondContact O-N 2.82Å; L619-F658 HydrophobicContact CB-CD2 4.19Å; L619-F658 HydrophobicContact CD1-CE2 4.47Å; L619-M674 HydrophobicContact CD1-CE 4.05Å
620	T	82.7	Confident	73.7	Confident	4 Å²	4	46.2 Å²	46.2	3%	0.025	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.1	145.4	178.9	-176.2	0	0	0	0	111.6	Y213 T622 D623	Y213-T620 HydrophobicContact CD2-CG2 4.1Å; T620-T622 VanDerWaalsContact C-N 3.32Å; T620-T622 PolarHBondContact OG1-N 3.08Å; T620-T622 PolarHBondContact OG1-OG1 3.28Å; T620-D623 HydrophobicContact CG2-CB 4.44Å
621	G	67.8	Low	72.6	Confident	2 Å²	2	49.4 Å²	49.4	2%	0.021	26%	0.263	C	S	.	.	S	Bend	trans	-86.6	10.5	175	0	0	0	0	0	115.2
622	T	61	Low	71.7	Confident	86 Å²	86	51.2 Å²	51.2	53%	0.528	27%	0.274	S	S	.	.			trans	-106.8	-12.8	-172.1	57.9	0	0	0	0	115	T620 S624	T620-T622 VanDerWaalsContact C-N 3.32Å; T620-T622 PolarHBondContact OG1-N 3.08Å; T620-T622 PolarHBondContact OG1-OG1 3.28Å; T622-S624 VanDerWaalsContact C-N 3.34Å; T622-S624 PolarHBondContact O-N 3.27Å
623	D	54.9	Low	71	Confident	22 Å²	22	53.5 Å²	53.5	12%	0.118	28%	0.282	C	S	.	.			trans	-83.8	72.4	178.9	-84.1	-41.4	0	0	0	111.9	K212 T620	K212-D623 IonicContact NZ-OD1 2.93Å; K212-D623 PolarHBondContact NZ-OD1 2.99Å; T620-D623 HydrophobicContact CG2-CB 4.44Å
624	S	46.5	Very low	70.3	Confident	69 Å²	69	56.7 Å²	56.7	48%	0.483	30%	0.298	S	S	.	.			trans	-98	112.8	152.4	51.1	0	0	0	0	108.1	T622	T622-S624 VanDerWaalsContact C-N 3.34Å; T622-S624 PolarHBondContact O-N 3.27Å
625	T	48.3	Very low	69.8	Low	51 Å²	51	55.2 Å²	55.2	31%	0.313	29%	0.29	S	S	.	.			trans	-80.4	135.4	147.4	71.8	0	0	0	0	106.4	R627 D628	T625-R627 PolarHBondContact O-N 3.15Å; T625-D628 PolarHBondContact O-N 3.37Å; T625-D628 VanDerWaalsContact O-N 3.09Å; T625-D628 PolarHBondContact OG1-OD2 2.89Å
626	E	44	Very low	69.3	Low	201 Å²	201	55 Å²	55	94%	0.939	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	-11.9	175.6	-65.6	174.4	160.8	0	0	113.1
627	R	48.1	Very low	68.9	Low	205 Å²	205	57.4 Å²	57.4	77%	0.774	30%	0.301	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-16.5	-179.6	-67.4	-176.5	176.9	-177.8	-1.7	114.2	T625	T625-R627 PolarHBondContact O-N 3.15Å
628	D	52.1	Low	68.5	Low	37 Å²	37	57.9 Å²	57.9	20%	0.198	30%	0.303	C	S	.	.	S	Bend	trans	-94	117.7	178.3	-60.4	-41	0	0	0	108.8	T625 C630 M635	T625-D628 PolarHBondContact O-N 3.37Å; T625-D628 VanDerWaalsContact O-N 3.09Å; T625-D628 PolarHBondContact OG1-OD2 2.89Å; D628-C630 PolarHBondContact O-N 3.43Å; D628-M635 HydrophobicContact CB-CE 3.59Å
629	N	57	Low	68.3	Low	174 Å²	174	58.4 Å²	58.4	93%	0.93	31%	0.306	S	S	*	.	S	Bend	trans	-66.5	21.9	178.8	-74.2	-9.5	0	0	0	114
630	C	62.9	Low	68.2	Low	55 Å²	55	58.5 Å²	58.5	37%	0.372	31%	0.306	S	S	.	.	S	Bend	trans	-112.8	142	-178.8	-71.1	0	0	0	0	110.1	D628 M634 M635	D628-C630 PolarHBondContact O-N 3.43Å; C630-M634 HydrophobicContact CB-CB 4.4Å; C630-M635 HydrophobicContact CB-CE 4.24Å
631	S	71.8	Confident	68.5	Low	67 Å²	67	60 Å²	60	47%	0.469	32%	0.317	S	S	.	.			trans	-64.6	152.5	169.7	67.1	0	0	0	0	110.7	Y633 M634 M635	S631-Y633 PolarHBondContact O-N 3.19Å; S631-Y633 VanDerWaalsContact O-N 3.15Å; S631-M634 PolarHBondContact O-N 3.14Å; S631-M634 WeakPolarHBondContact OG-CB 3.1Å; S631-M634 PolarHBondContact OG-N 2.92Å; S631-M634 VanDerWaalsContact OG-N 3.12Å; S631-M635 PolarHBondContact O-N 3.29Å
632	T	73.1	Confident	69.4	Low	40 Å²	40	60 Å²	60	25%	0.245	32%	0.317	C	S	.	.	H	α-helix	trans	-53.1	-34.9	173.2	48.6	0	0	0	0	112.3	A636	T632-A636 WeakPolarHBondContact O-CB 3.31Å; T632-A636 PolarHBondContact O-N 3.02Å
633	Y	78	Confident	70.7	Confident	61 Å²	61	56 Å²	56	24%	0.239	29%	0.292	C	S	.	.	H	α-helix	trans	-63.6	-49.8	174	-177.8	-104.2	0	0	0	112.3	S631 M635 A636 L637 A659 L667	S631-Y633 PolarHBondContact O-N 3.19Å; S631-Y633 VanDerWaalsContact O-N 3.15Å; Y633-M635 VanDerWaalsContact C-N 3.32Å; Y633-M635 PolarHBondContact O-N 3.44Å; Y633-A636 PolarHBondContact O-N 3.28Å; Y633-L637 HydrophobicContact CD1-CD1 3.93Å; Y633-L637 HydrophobicContact CE1-CD1 3.33Å; Y633-L637 HydrophobicContact CE1-CG 4.17Å; Y633-L637 HydrophobicContact CE2-CD1 4.43Å; Y633-L637 WeakPolarHBondContact O-CG 3.46Å; Y633-L637 PolarHBondContact O-N 3.49Å; Y633-A659 HydrophobicContact CD2-CB 3.6Å; Y633-A659 HydrophobicContact CE2-CB 4.02Å; Y633-L667 HydrophobicContact CE2-CD1 4.24Å
634	M	78.5	Confident	72.3	Confident	66 Å²	66	56.9 Å²	56.9	33%	0.325	30%	0.297	S	S	.	.	H	α-helix	trans	-63.7	-39.9	179.3	-172.7	60.9	68.4	0	0	111.6	T150 C630 S631 L637 Q638	T150-M634 HydrophobicContact CG2-CE 4.24Å; T150-M634 HydrophobicContact CG2-SD 4.17Å; C630-M634 HydrophobicContact CB-CB 4.4Å; S631-M634 PolarHBondContact O-N 3.14Å; S631-M634 WeakPolarHBondContact OG-CB 3.1Å; S631-M634 PolarHBondContact OG-N 2.92Å; S631-M634 VanDerWaalsContact OG-N 3.12Å; M634-L637 PolarHBondContact O-N 2.7Å; M634-Q638 WeakPolarHBondContact O-CB 3.46Å; M634-Q638 PolarHBondContact O-N 3.24Å
635	M	79.8	Confident	74.2	Confident	9 Å²	9	56 Å²	56	4%	0.044	28%	0.283	C	S	.	.	H	α-helix	trans	-60.6	-48.8	176.4	-167	66.5	80	0	0	111.2	A158 D628 C630 S631 Y633 L637 Q638 M639	A158-M635 HydrophobicContact CB-CE 3.77Å; A158-M635 HydrophobicContact CB-SD 3.16Å; A158-M635 WeakPolarHBondContact CB-SD 3.47Å; D628-M635 HydrophobicContact CB-CE 3.59Å; C630-M635 HydrophobicContact CB-CE 4.24Å; S631-M635 PolarHBondContact O-N 3.29Å; Y633-M635 VanDerWaalsContact C-N 3.32Å; Y633-M635 PolarHBondContact O-N 3.44Å; M635-L637 VanDerWaalsContact C-N 3.32Å; M635-L637 PolarHBondContact O-N 3.16Å; M635-Q638 WeakPolarHBondContact O-CB 3.33Å; M635-Q638 PolarHBondContact O-N 2.83Å; M635-M639 HydrophobicContact CG-SD 4.27Å; M635-M639 WeakPolarHBondContact O-CG 3.38Å; M635-M639 PolarHBondContact O-N 2.94Å
636	A	82.4	Confident	75.9	Confident	0 Å²	0	54.6 Å²	54.6	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-60.9	-40	178	0	0	0	0	0	112.4	T632 Y633 M639 A640 A659	T632-A636 WeakPolarHBondContact O-CB 3.31Å; T632-A636 PolarHBondContact O-N 3.02Å; Y633-A636 PolarHBondContact O-N 3.28Å; A636-M639 PolarHBondContact O-N 3.08Å; A636-A640 WeakPolarHBondContact O-CB 3.48Å; A636-A640 PolarHBondContact O-N 2.81Å; A636-A659 HydrophobicContact CB-CB 3.64Å
637	L	84.5	Confident	78	Confident	49 Å²	49	46.2 Å²	46.2	26%	0.257	24%	0.235	S	C	.	.	H	α-helix	trans	-65.2	-41.2	174.5	-73.4	-179.2	0	0	0	112.4	Y633 M634 M635 A640 S641 F658	Y633-L637 HydrophobicContact CD1-CD1 3.93Å; Y633-L637 HydrophobicContact CE1-CD1 3.33Å; Y633-L637 HydrophobicContact CE1-CG 4.17Å; Y633-L637 HydrophobicContact CE2-CD1 4.43Å; Y633-L637 WeakPolarHBondContact O-CG 3.46Å; Y633-L637 PolarHBondContact O-N 3.49Å; M634-L637 PolarHBondContact O-N 2.7Å; M635-L637 VanDerWaalsContact C-N 3.32Å; M635-L637 PolarHBondContact O-N 3.16Å; L637-A640 WeakPolarHBondContact O-CB 3.41Å; L637-A640 PolarHBondContact O-N 3.43Å; L637-S641 WeakPolarHBondContact O-CB 3.37Å; L637-S641 PolarHBondContact O-N 3.41Å; L637-F658 HydrophobicContact CD2-CZ 3.98Å
638	Q	84.4	Confident	79.9	Confident	14 Å²	14	38.4 Å²	38.4	7%	0.065	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-43.3	176.6	176.1	168.6	13.8	0	0	111.4	K153 F156 M634 M635 A640 S641 V642	K153-Q638 PolarHBondContact O-NE2 3.37Å; F156-Q638 PolarHBondContact O-NE2 2.87Å; M634-Q638 WeakPolarHBondContact O-CB 3.46Å; M634-Q638 PolarHBondContact O-N 3.24Å; M635-Q638 WeakPolarHBondContact O-CB 3.33Å; M635-Q638 PolarHBondContact O-N 2.83Å; Q638-A640 VanDerWaalsContact C-N 3.34Å; Q638-A640 PolarHBondContact O-N 3.33Å; Q638-S641 VanDerWaalsContact O-CB 3.31Å; Q638-S641 WeakPolarHBondContact O-CB 3.45Å; Q638-S641 PolarHBondContact O-N 3.19Å; Q638-V642 WeakPolarHBondContact O-CG2 3.47Å; Q638-V642 PolarHBondContact O-N 3.25Å
639	M	86.5	Confident	81.5	Confident	12 Å²	12	37.6 Å²	37.6	6%	0.059	21%	0.207	C	C	.	.	H	α-helix	trans	-61.4	-43.6	175.1	-64	170.6	80.8	0	0	111.5	I618 L619 M635 A636 S641 V642 A643	I618-M639 WeakPolarHBondContact O-CE 3.24Å; L619-M639 VanDerWaalsContact CD2-C 3.42Å; L619-M639 HydrophobicContact CD2-CB 3.6Å; M635-M639 HydrophobicContact CG-SD 4.27Å; M635-M639 WeakPolarHBondContact O-CG 3.38Å; M635-M639 PolarHBondContact O-N 2.94Å; A636-M639 PolarHBondContact O-N 3.08Å; M639-S641 VanDerWaalsContact C-N 3.32Å; M639-S641 PolarHBondContact O-N 2.93Å; M639-V642 PolarHBondContact O-N 3.19Å; M639-A643 WeakPolarHBondContact O-CB 3.37Å; M639-A643 PolarHBondContact O-N 2.9Å
640	A	88.7	Confident	83.1	Confident	4 Å²	4	31.9 Å²	31.9	3%	0.033	17%	0.174	C	C	.	.	H	α-helix	trans	-61.8	-42.8	174.7	0	0	0	0	0	111.5	L619 A636 L637 Q638 V642 A643 L644 F658 M674	L619-A640 HydrophobicContact CD1-CB 3.91Å; L619-A640 HydrophobicContact CD2-CB 4.4Å; A636-A640 WeakPolarHBondContact O-CB 3.48Å; A636-A640 PolarHBondContact O-N 2.81Å; L637-A640 WeakPolarHBondContact O-CB 3.41Å; L637-A640 PolarHBondContact O-N 3.43Å; Q638-A640 VanDerWaalsContact C-N 3.34Å; Q638-A640 PolarHBondContact O-N 3.33Å; A640-V642 PolarHBondContact O-N 2.98Å; A640-A643 PolarHBondContact O-N 3.14Å; A640-L644 WeakPolarHBondContact O-CB 3.42Å; A640-L644 VanDerWaalsContact O-CG 3.22Å; A640-L644 WeakPolarHBondContact O-CG 3.23Å; A640-L644 PolarHBondContact O-N 2.92Å; A640-F658 HydrophobicContact CB-CE2 3.89Å; A640-F658 HydrophobicContact CB-CZ 4.24Å; A640-M674 HydrophobicContact CB-CE 3.67Å
641	S	87.6	Confident	84.5	Confident	35 Å²	35	29.3 Å²	29.3	25%	0.245	16%	0.157	C	C	.	.	H	α-helix	trans	-58.3	-47.5	178.5	-151.2	0	0	0	0	111.6	L637 Q638 M639 R645	L637-S641 WeakPolarHBondContact O-CB 3.37Å; L637-S641 PolarHBondContact O-N 3.41Å; Q638-S641 VanDerWaalsContact O-CB 3.31Å; Q638-S641 WeakPolarHBondContact O-CB 3.45Å; Q638-S641 PolarHBondContact O-N 3.19Å; M639-S641 VanDerWaalsContact C-N 3.32Å; M639-S641 PolarHBondContact O-N 2.93Å; S641-R645 WeakPolarHBondContact O-CG 3.28Å; S641-R645 VanDerWaalsContact O-CZ 3.28Å; S641-R645 PolarHBondContact O-N 2.88Å; S641-R645 PolarHBondContact O-NH2 3.41Å; S641-R645 PolarHBondContact OG-NH1 2.93Å
642	V	86.8	Confident	85.6	Confident	3 Å²	3	26.1 Å²	26.1	2%	0.018	13%	0.134	C	C	.	.	H	α-helix	trans	-64.8	-43.7	177.3	170.2	0	0	0	0	111.5	P157 Q638 M639 A640 N646	P157-V642 HydrophobicContact CG-CG1 4.37Å; Q638-V642 WeakPolarHBondContact O-CG2 3.47Å; Q638-V642 PolarHBondContact O-N 3.25Å; M639-V642 PolarHBondContact O-N 3.19Å; A640-V642 PolarHBondContact O-N 2.98Å; V642-N646 PolarHBondContact O-N 3.21Å; V642-N646 PolarHBondContact O-ND2 3.41Å
643	A	89.1	Confident	86.6	Confident	1 Å²	1	24.2 Å²	24.2	1%	0.008	12%	0.123	C	C	.	.	H	α-helix	trans	-63.4	-50.4	178.8	0	0	0	0	0	111.5	H617 L619 M639 A640 R645 N646 L647	H617-A643 HydrophobicContact CB-CB 3.75Å; L619-A643 HydrophobicContact CD2-CB 4.38Å; M639-A643 WeakPolarHBondContact O-CB 3.37Å; M639-A643 PolarHBondContact O-N 2.9Å; A640-A643 PolarHBondContact O-N 3.14Å; A643-R645 VanDerWaalsContact C-N 3.28Å; A643-R645 PolarHBondContact O-N 2.94Å; A643-N646 PolarHBondContact O-N 2.98Å; A643-N646 VanDerWaalsContact O-N 3.11Å; A643-L647 WeakPolarHBondContact O-CD2 3.48Å; A643-L647 VanDerWaalsContact O-CG 3.26Å; A643-L647 WeakPolarHBondContact O-CG 3.28Å; A643-L647 PolarHBondContact O-N 2.84Å
644	L	89.3	Confident	87.4	Confident	41 Å²	41	21.3 Å²	21.3	22%	0.215	11%	0.111	C	C	.	.	H	α-helix	trans	-65.3	-27.9	-175.2	-69	179.2	0	0	0	113.7	A640 L647 M674 F677 L678	A640-L644 WeakPolarHBondContact O-CB 3.42Å; A640-L644 VanDerWaalsContact O-CG 3.22Å; A640-L644 WeakPolarHBondContact O-CG 3.23Å; A640-L644 PolarHBondContact O-N 2.92Å; L644-L647 HydrophobicContact CD2-CD1 3.94Å; L644-L647 WeakPolarHBondContact O-CD1 3.46Å; L644-L647 WeakPolarHBondContact O-CG 3.37Å; L644-M674 HydrophobicContact CD1-CE 4.13Å; L644-M674 HydrophobicContact CD1-CG 4.24Å; L644-F677 HydrophobicContact CD2-CD1 4.18Å; L644-F677 HydrophobicContact CD2-CE1 4.3Å; L644-L678 HydrophobicContact CD2-CD2 3.75Å; L644-L678 HydrophobicContact CD2-CG 4.34Å
645	R	84.8	Confident	88	Confident	52 Å²	52	18.2 Å²	18.2	20%	0.196	10%	0.096	C	C	.	.	H	α-helix	trans	-73.5	-32.5	173.9	-78.7	-170	-67.5	-83.6	-8.8	113.3	S154 L155 S641 A643	S154-R645 PolarHBondContact O-NH2 3.07Å; L155-R645 PolarHBondContact O-NH2 3.03Å; S641-R645 WeakPolarHBondContact O-CG 3.28Å; S641-R645 VanDerWaalsContact O-CZ 3.28Å; S641-R645 PolarHBondContact O-N 2.88Å; S641-R645 PolarHBondContact O-NH2 3.41Å; S641-R645 PolarHBondContact OG-NH1 2.93Å; A643-R645 VanDerWaalsContact C-N 3.28Å; A643-R645 PolarHBondContact O-N 2.94Å
646	N	84.4	Confident	88.4	Confident	21 Å²	21	18.3 Å²	18.3	11%	0.112	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-107.6	30.5	-171	-61.7	-58.2	0	0	0	113.3	Y62 L197 V642 A643	Y62-N646 PolarHBondContact OH-ND2 2.84Å; L197-N646 HydrophobicContact CB-CB 4.28Å; L197-N646 WeakPolarHBondContact CB-OD1 3.5Å; L197-N646 PolarHBondContact N-OD1 2.91Å; V642-N646 PolarHBondContact O-N 3.21Å; V642-N646 PolarHBondContact O-ND2 3.41Å; A643-N646 PolarHBondContact O-N 2.98Å; A643-N646 VanDerWaalsContact O-N 3.11Å
647	L	88.6	Confident	88.3	Confident	25 Å²	25	20.9 Å²	20.9	13%	0.131	11%	0.109	C	C	.	.			trans	-76.8	133.8	-175.1	-63.9	175	0	0	0	113.3	A643 L644 T651 I653 F677 L678 K681 P685	A643-L647 WeakPolarHBondContact O-CD2 3.48Å; A643-L647 VanDerWaalsContact O-CG 3.26Å; A643-L647 WeakPolarHBondContact O-CG 3.28Å; A643-L647 PolarHBondContact O-N 2.84Å; L644-L647 HydrophobicContact CD2-CD1 3.94Å; L644-L647 WeakPolarHBondContact O-CD1 3.46Å; L644-L647 WeakPolarHBondContact O-CG 3.37Å; L647-T651 HydrophobicContact CD2-CG2 4.15Å; L647-I653 HydrophobicContact CD2-CD1 3.53Å; L647-I653 HydrophobicContact CD2-CG1 4.38Å; L647-F677 HydrophobicContact CD1-CE1 4.27Å; L647-L678 HydrophobicContact CD1-CD2 3.32Å; L647-L678 HydrophobicContact CD2-CD2 4.33Å; L647-L678 HydrophobicContact CG-CD2 4.45Å; L647-K681 HydrophobicContact CD1-CD 4.39Å; L647-P685 HydrophobicContact CD2-CG 4.26Å
648	T	87.7	Confident	87.7	Confident	41 Å²	41	19 Å²	19	25%	0.252	10%	0.099	S	C	.	.			trans	-124.3	166.4	165.4	73.2	0	0	0	0	110.4	D614 K650 T651	D614-T648 WeakPolarHBondContact OD2-CB 3.43Å; D614-T648 PolarHBondContact OD2-OG1 3.14Å; T648-K650 PolarHBondContact O-N 2.94Å; T648-K650 VanDerWaalsContact O-N 3.15Å; T648-K650 PolarHBondContact OG1-N 2.99Å; T648-T651 PolarHBondContact N-OG1 2.84Å; T648-T651 WeakPolarHBondContact O-CB 3.1Å; T648-T651 PolarHBondContact O-N 3.25Å; T648-T651 VanDerWaalsContact O-N 3.14Å; T648-T651 PolarHBondContact O-OG1 2.87Å; T648-T651 PolarHBondContact OG1-N 3.27Å; T648-T651 PolarHBondContact OG1-OG1 2.81Å; T648-T651 VanDerWaalsContact OG1-OG1 3.08Å
649	S	86.3	Confident	87	Confident	20 Å²	20	18.6 Å²	18.6	14%	0.14	10%	0.097	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.1	170.8	37.8	0	0	0	0	113.4	E683	S649-E683 WeakPolarHBondContact CB-OE2 3.36Å; S649-E683 PolarHBondContact OG-OE2 2.79Å
650	K	90	Very high	86.3	Confident	54 Å²	54	24 Å²	24	24%	0.235	12%	0.12	C	C	.	.	T	Hydrogen-bonded Turn	trans	-99.9	25.2	-179.9	-70.7	-175.7	171.3	-162.3	0	112.5	T612 F613 D614 T648	T612-K650 VanDerWaalsContact O-CD 3.31Å; T612-K650 WeakPolarHBondContact O-CD 3.33Å; T612-K650 WeakPolarHBondContact O-CG 3.32Å; T612-K650 PolarHBondContact OG1-NZ 2.93Å; F613-K650 CarbonylContact C-O 3.59Å; F613-K650 VanDerWaalsContact CA-O 3.24Å; F613-K650 WeakPolarHBondContact CA-O 3.3Å; F613-K650 WeakPolarHBondContact CB-O 3.32Å; F613-K650 WeakPolarHBondContact CD1-O 2.95Å; D614-K650 HydrophobicContact CB-CB 4.45Å; D614-K650 PolarHBondContact N-O 2.96Å; D614-K650 WeakPolarHBondContact OD2-CB 3.42Å; T648-K650 PolarHBondContact O-N 2.94Å; T648-K650 VanDerWaalsContact O-N 3.15Å; T648-K650 PolarHBondContact OG1-N 2.99Å
651	T	92.1	Very high	85.2	Confident	0 Å²	0	26 Å²	26	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.8	135.3	172.4	-60.3	0	0	0	0	110.3	A615 L647 T648 I653 P685 Y686	A615-T651 HydrophobicContact CB-CG2 4.17Å; L647-T651 HydrophobicContact CD2-CG2 4.15Å; T648-T651 PolarHBondContact N-OG1 2.84Å; T648-T651 WeakPolarHBondContact O-CB 3.1Å; T648-T651 PolarHBondContact O-N 3.25Å; T648-T651 VanDerWaalsContact O-N 3.14Å; T648-T651 PolarHBondContact O-OG1 2.87Å; T648-T651 PolarHBondContact OG1-N 3.27Å; T648-T651 PolarHBondContact OG1-OG1 2.81Å; T648-T651 VanDerWaalsContact OG1-OG1 3.08Å; T651-I653 HydrophobicContact CG2-CG1 3.96Å; T651-P685 WeakPolarHBondContact O-CB 3.36Å; T651-Y686 PolarHBondContact O-N 2.85Å
652	L	94.5	Very high	84	Confident	0 Å²	0	31.8 Å²	31.8	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	122.2	170.4	175.7	61	0	0	0	109.5	I541 T594 F613 A615 I616 H617 Y686 I688	I541-L652 HydrophobicContact CD1-CD1 3.96Å; T594-L652 HydrophobicContact CG2-CD2 4.24Å; F613-L652 HydrophobicContact CD1-CB 3.83Å; F613-L652 HydrophobicContact CE1-CB 3.94Å; A615-L652 PolarHBondContact O-N 2.95Å; I616-L652 CarbonylContact C-O 3.6Å; I616-L652 WeakPolarHBondContact CA-O 3.39Å; I616-L652 HydrophobicContact CG1-CB 4.35Å; I616-L652 HydrophobicContact CG1-CD2 4.41Å; I616-L652 HydrophobicContact CG2-CD2 4.4Å; H617-L652 PolarHBondContact N-O 2.58Å; L652-Y686 CarbonylContact C-O 3.43Å; L652-Y686 WeakPolarHBondContact CA-O 3.22Å; L652-I688 HydrophobicContact CD1-CD1 4.48Å
653	I	94.3	Very high	83.5	Confident	0 Å²	0	34.6 Å²	34.6	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	130	178	-52.3	175.2	0	0	0	108.8	H617 L619 L647 T651 M655 L678 P685 Y686 T687 I688	H617-I653 CarbonylContact O-C 3.57Å; H617-I653 WeakPolarHBondContact O-CA 3.33Å; L619-I653 HydrophobicContact CD1-CG2 4.11Å; L619-I653 HydrophobicContact CG-CG2 4.33Å; L647-I653 HydrophobicContact CD2-CD1 3.53Å; L647-I653 HydrophobicContact CD2-CG1 4.38Å; T651-I653 HydrophobicContact CG2-CG1 3.96Å; I653-M655 HydrophobicContact CG2-CE 3.87Å; I653-M655 HydrophobicContact CG2-CG 4.08Å; I653-L678 HydrophobicContact CD1-CD1 3.94Å; I653-L678 HydrophobicContact CD1-CD2 4.1Å; I653-P685 HydrophobicContact CD1-CB 4.41Å; I653-P685 HydrophobicContact CD1-CG 3.99Å; I653-Y686 PolarHBondContact N-O 2.76Å; I653-T687 HydrophobicContact CB-CG2 4.08Å; I653-T687 HydrophobicContact CG2-CG2 4.24Å; I653-T687 CarbonylContact O-C 3.54Å; I653-T687 VanDerWaalsContact O-CA 3.3Å; I653-T687 WeakPolarHBondContact O-CA 3.32Å; I653-I688 PolarHBondContact O-N 2.82Å
654	I	94.3	Very high	82.9	Confident	0 Å²	0	39 Å²	39	0%	0	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	120.5	173.5	-67.1	174.5	0	0	0	108.1	M587 A591 H617 I618 L619 I688	M587-I654 HydrophobicContact CB-CG2 3.92Å; M587-I654 HydrophobicContact CG-CG2 4.34Å; M587-I654 HydrophobicContact SD-CG2 3.8Å; A591-I654 HydrophobicContact CB-CD1 3.28Å; H617-I654 PolarHBondContact O-N 3.48Å; I618-I654 CarbonylContact C-O 3.59Å; I618-I654 WeakPolarHBondContact CA-O 3.4Å; L619-I654 PolarHBondContact N-O 2.99Å; I654-I688 CarbonylContact C-O 3.47Å; I654-I688 WeakPolarHBondContact CA-O 3.49Å
655	M	91.8	Very high	82.5	Confident	1 Å²	1	41.9 Å²	41.9	1%	0.005	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	101.7	174.7	-52.6	-166.7	-170.8	0	0	108.6	L619 I653 F658 M674 L678 T687 I688 I689 A690	L619-M655 HydrophobicContact CB-CG 4.29Å; L619-M655 HydrophobicContact CD1-CE 3.99Å; L619-M655 HydrophobicContact CD1-CG 4Å; L619-M655 HydrophobicContact CD1-SD 4.27Å; L619-M655 HydrophobicContact CG-CG 4.44Å; L619-M655 WeakPolarHBondContact O-CA 3.36Å; I653-M655 HydrophobicContact CG2-CE 3.87Å; I653-M655 HydrophobicContact CG2-CG 4.08Å; M655-F658 HydrophobicContact CB-CB 4.48Å; M655-M674 HydrophobicContact CE-CE 3.82Å; M655-M674 HydrophobicContact SD-CE 4.26Å; M655-L678 HydrophobicContact CE-CD1 4.02Å; M655-T687 HydrophobicContact CE-CG2 4.03Å; M655-I688 PolarHBondContact N-O 3.5Å; M655-I689 HydrophobicContact CB-CB 4.41Å; M655-I689 HydrophobicContact CB-CG1 4.22Å; M655-I689 HydrophobicContact CB-CG2 4.24Å; M655-I689 HydrophobicContact CG-CG1 4.21Å; M655-I689 HydrophobicContact SD-CD1 4.16Å; M655-I689 HydrophobicContact SD-CG1 4.08Å; M655-A690 PolarHBondContact O-N 2.99Å
656	D	88.7	Confident	82.4	Confident	11 Å²	11	45 Å²	45	6%	0.059	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	102.9	176.6	-170.2	10.3	0	0	0	110	Y213 S584 M587 L619 F658	Y213-D656 HydrophobicContact CE2-CB 4.37Å; Y213-D656 PolarHBondContact OH-OD2 2.79Å; S584-D656 WeakPolarHBondContact CB-OD2 3.3Å; S584-D656 PolarHBondContact OG-OD2 2.82Å; M587-D656 HydrophobicContact CE-CB 3.44Å; M587-D656 VanDerWaalsContact CE-CB 3.44Å; M587-D656 VanDerWaalsContact CE-OD1 3.25Å; M587-D656 WeakPolarHBondContact CE-OD1 3.34Å; M587-D656 HydrophobicContact SD-CB 4.43Å; L619-D656 PolarHBondContact O-N 2.82Å; D656-F658 PolarHBondContact O-N 2.82Å
657	E	79.1	Confident	82.3	Confident	55 Å²	55	44.9 Å²	44.9	26%	0.257	23%	0.233	S	C	.	.	S	Bend	trans	47	61.1	-175.6	-62.1	-167.8	164	0	0	111	N579 A659 A690 H692	N579-E657 PolarHBondContact OD1-OE1 2.98Å; E657-A659 PolarHBondContact O-N 2.8Å; E657-A690 PolarHBondContact N-O 3.07Å; E657-H692 IonicContact OE1-ND1 3.3Å
658	F	72.8	Confident	82	Confident	9 Å²	9	44.3 Å²	44.3	4%	0.039	23%	0.23	C	C	.	.			trans	-44.6	108.7	-175.2	175.3	-109.7	0	0	0	111.5	L619 L637 A640 M655 D656 L667 T671 M674	L619-F658 HydrophobicContact CB-CD2 4.19Å; L619-F658 HydrophobicContact CD1-CE2 4.47Å; L637-F658 HydrophobicContact CD2-CZ 3.98Å; A640-F658 HydrophobicContact CB-CE2 3.89Å; A640-F658 HydrophobicContact CB-CZ 4.24Å; M655-F658 HydrophobicContact CB-CB 4.48Å; D656-F658 PolarHBondContact O-N 2.82Å; F658-L667 HydrophobicContact CD1-CD1 3.64Å; F658-L667 HydrophobicContact CE1-CD1 3.87Å; F658-L667 WeakPolarHBondContact O-CD1 3.23Å; F658-L667 WeakPolarHBondContact O-CD2 3.42Å; F658-T671 WeakPolarHBondContact CD1-OG1 3.29Å; F658-M674 HydrophobicContact CE1-SD 3.8Å; F658-M674 HydrophobicContact CE2-CE 4.03Å; F658-M674 HydrophobicContact CE2-SD 4.18Å; F658-M674 HydrophobicContact CZ-CE 3.99Å; F658-M674 HydrophobicContact CZ-SD 3.53Å; F658-M674 VanDerWaalsContact CZ-SD 3.53Å
659	A	70	Confident	81.9	Confident	5 Å²	5	44.9 Å²	44.9	4%	0.041	24%	0.239	C	C	.	.			trans	53.4	157.4	-179.2	0	0	0	0	0	116.3	Y633 A636 E657 L667	Y633-A659 HydrophobicContact CD2-CB 3.6Å; Y633-A659 HydrophobicContact CE2-CB 4.02Å; A636-A659 HydrophobicContact CB-CB 3.64Å; E657-A659 PolarHBondContact O-N 2.8Å; A659-L667 HydrophobicContact CB-CD1 3.94Å; A659-L667 VanDerWaalsContact O-CD2 3.28Å; A659-L667 WeakPolarHBondContact O-CD2 3.25Å
660	K	70.9	Confident	81.9	Confident	125 Å²	125	47.1 Å²	47.1	54%	0.543	25%	0.249	S	C	.	.			trans	-112.2	114.7	170	-69.7	-177.6	-179.6	177.4	0	108.7
661	S	66	Low	81.8	Confident	48 Å²	48	44.9 Å²	44.9	34%	0.336	24%	0.24	S	C	.	.			trans	-124.2	153.6	177.6	179.5	0	0	0	0	110.7	N663	S661-N663 VanDerWaalsContact C-N 3.34Å; S661-N663 PolarHBondContact OG-N 3.25Å
662	V	63.4	Low	81.6	Confident	156 Å²	156	45.9 Å²	45.9	95%	0.945	25%	0.245	S	C	*	.	S	Bend	trans	-66.3	-39.3	172.1	-175.5	0	0	0	0	110.4	K664	V662-K664 PolarHBondContact O-N 3.28Å
663	N	75.2	Confident	81.3	Confident	62 Å²	62	48.3 Å²	48.3	33%	0.332	27%	0.265	S	S	.	.			trans	-93.7	91	177.9	-166.4	-6.6	0	0	0	111	S661 L665 E666 L667	S661-N663 VanDerWaalsContact C-N 3.34Å; S661-N663 PolarHBondContact OG-N 3.25Å; N663-L665 PolarHBondContact O-N 3.15Å; N663-L665 PolarHBondContact OD1-N 3.34Å; N663-E666 HydrophobicContact CB-CB 4.35Å; N663-E666 HydrophobicContact CB-CG 4.5Å; N663-E666 WeakPolarHBondContact ND2-CG 3.15Å; N663-E666 PolarHBondContact ND2-OE1 2.91Å; N663-E666 PolarHBondContact O-N 3.33Å; N663-L667 PolarHBondContact O-N 3.3Å
664	K	77.1	Confident	81.1	Confident	93 Å²	93	49 Å²	49	40%	0.404	27%	0.268	S	S	.	.	H	α-helix	trans	-58.3	-35.2	179.4	-165.9	178.2	-172.4	179.4	0	113.1	V662 L667 D668 H692 N693	V662-K664 PolarHBondContact O-N 3.28Å; K664-L667 PolarHBondContact O-N 2.88Å; K664-D668 PolarHBondContact O-N 3.33Å; K664-H692 VanDerWaalsContact CE-NE2 3.25Å; K664-H692 WeakPolarHBondContact CE-NE2 3.48Å; K664-H692 PolarHBondContact NZ-CD2 3.31Å; K664-H692 PolarHBondContact NZ-NE2 3.44Å; K664-N693 WeakPolarHBondContact CE-ND2 3.23Å
665	L	80.7	Confident	80.9	Confident	101 Å²	101	49 Å²	49	53%	0.529	27%	0.268	S	S	.	.	H	α-helix	trans	-65.7	-44.3	-177.8	-69.3	172	0	0	0	112.4	N663 L667 D668 A669 K695	N663-L665 PolarHBondContact O-N 3.15Å; N663-L665 PolarHBondContact OD1-N 3.34Å; L665-L667 VanDerWaalsContact C-N 3.3Å; L665-D668 PolarHBondContact O-N 2.6Å; L665-A669 WeakPolarHBondContact O-CB 3.38Å; L665-A669 PolarHBondContact O-N 3.33Å; L665-K695 HydrophobicContact CD2-CD 4.26Å; L665-K695 VanDerWaalsContact CD2-NZ 3.27Å
666	E	81.8	Confident	80.7	Confident	118 Å²	118	51.3 Å²	51.3	55%	0.551	28%	0.279	S	S	*	.	H	α-helix	trans	-65.1	-38.8	176.7	-79	170.8	-165	0	0	111.3	N663 A669 L670	N663-E666 HydrophobicContact CB-CB 4.35Å; N663-E666 HydrophobicContact CB-CG 4.5Å; N663-E666 WeakPolarHBondContact ND2-CG 3.15Å; N663-E666 PolarHBondContact ND2-OE1 2.91Å; N663-E666 PolarHBondContact O-N 3.33Å; E666-A669 PolarHBondContact O-N 3.08Å; E666-L670 WeakPolarHBondContact O-CB 3.33Å; E666-L670 PolarHBondContact O-N 2.8Å
667	L	82.2	Confident	80.8	Confident	19 Å²	19	55.6 Å²	55.6	10%	0.099	30%	0.298	C	S	.	.	H	α-helix	trans	-63.7	-47.4	176.2	-177.1	62.5	0	0	0	111.8	Y633 F658 A659 N663 K664 L665 A669 L670 T671	Y633-L667 HydrophobicContact CE2-CD1 4.24Å; F658-L667 HydrophobicContact CD1-CD1 3.64Å; F658-L667 HydrophobicContact CE1-CD1 3.87Å; F658-L667 WeakPolarHBondContact O-CD1 3.23Å; F658-L667 WeakPolarHBondContact O-CD2 3.42Å; A659-L667 HydrophobicContact CB-CD1 3.94Å; A659-L667 VanDerWaalsContact O-CD2 3.28Å; A659-L667 WeakPolarHBondContact O-CD2 3.25Å; N663-L667 PolarHBondContact O-N 3.3Å; K664-L667 PolarHBondContact O-N 2.88Å; L665-L667 VanDerWaalsContact C-N 3.3Å; L667-A669 VanDerWaalsContact C-N 3.29Å; L667-A669 PolarHBondContact O-N 2.88Å; L667-L670 WeakPolarHBondContact O-CB 3.47Å; L667-L670 PolarHBondContact O-N 3.42Å; L667-T671 PolarHBondContact O-N 2.87Å; L667-T671 PolarHBondContact O-OG1 3.48Å; L667-T671 VanDerWaalsContact O-OG1 3.08Å
668	D	83.6	Confident	81.3	Confident	12 Å²	12	53 Å²	53	6%	0.064	29%	0.286	C	S	.	.	H	α-helix	trans	-58.6	-44.2	175.4	-59.5	-41.7	0	0	0	110.8	K664 L665 L670 T671 I672 N693 I696	K664-D668 PolarHBondContact O-N 3.33Å; L665-D668 PolarHBondContact O-N 2.6Å; D668-L670 VanDerWaalsContact C-N 3.34Å; D668-L670 PolarHBondContact O-N 3.35Å; D668-T671 PolarHBondContact O-N 3.36Å; D668-I672 WeakPolarHBondContact O-CD1 3.35Å; D668-I672 WeakPolarHBondContact O-CG1 3.26Å; D668-I672 PolarHBondContact O-N 3.43Å; D668-N693 PolarHBondContact OD1-ND2 3.41Å; D668-N693 PolarHBondContact OD2-ND2 3.48Å; D668-I696 HydrophobicContact CB-CD1 4.17Å; D668-I696 HydrophobicContact CB-CG1 3.92Å
669	A	85.4	Confident	82	Confident	54 Å²	54	53 Å²	53	45%	0.446	29%	0.286	S	S	.	.	H	α-helix	trans	-62.6	-40.9	178.5	0	0	0	0	0	111.7	L665 E666 L667 I672 A673	L665-A669 WeakPolarHBondContact O-CB 3.38Å; L665-A669 PolarHBondContact O-N 3.33Å; E666-A669 PolarHBondContact O-N 3.08Å; L667-A669 VanDerWaalsContact C-N 3.29Å; L667-A669 PolarHBondContact O-N 2.88Å; A669-I672 PolarHBondContact O-N 2.86Å; A669-A673 VanDerWaalsContact O-CB 3.28Å; A669-A673 WeakPolarHBondContact O-CB 3.16Å; A669-A673 PolarHBondContact O-N 3.35Å
670	L	86	Confident	82.8	Confident	66 Å²	66	58.6 Å²	58.6	35%	0.346	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-46	172.6	-102.4	154.6	0	0	0	111.7	E666 L667 D668 I672 A673 M674	E666-L670 WeakPolarHBondContact O-CB 3.33Å; E666-L670 PolarHBondContact O-N 2.8Å; L667-L670 WeakPolarHBondContact O-CB 3.47Å; L667-L670 PolarHBondContact O-N 3.42Å; D668-L670 VanDerWaalsContact C-N 3.34Å; D668-L670 PolarHBondContact O-N 3.35Å; L670-I672 PolarHBondContact O-N 3.25Å; L670-A673 PolarHBondContact O-N 2.83Å; L670-M674 WeakPolarHBondContact O-CB 3.39Å; L670-M674 VanDerWaalsContact O-CG 3.22Å; L670-M674 WeakPolarHBondContact O-CG 3.25Å; L670-M674 PolarHBondContact O-N 3.33Å
671	T	87.1	Confident	83.3	Confident	7 Å²	7	56.2 Å²	56.2	4%	0.043	30%	0.304	C	S	.	.	H	α-helix	trans	-61.9	-43.1	177.1	-55.5	0	0	0	0	111.8	F658 L667 D668 M674 A675 I689 I696	F658-T671 WeakPolarHBondContact CD1-OG1 3.29Å; L667-T671 PolarHBondContact O-N 2.87Å; L667-T671 PolarHBondContact O-OG1 3.48Å; L667-T671 VanDerWaalsContact O-OG1 3.08Å; D668-T671 PolarHBondContact O-N 3.36Å; T671-M674 PolarHBondContact O-N 2.94Å; T671-A675 WeakPolarHBondContact O-CB 3.46Å; T671-A675 PolarHBondContact O-N 3.49Å; T671-I689 HydrophobicContact CG2-CG2 3.98Å; T671-I696 HydrophobicContact CG2-CD1 4.09Å
672	I	88	Confident	83.8	Confident	22 Å²	22	62.3 Å²	62.3	11%	0.113	33%	0.333	C	S	.	.	H	α-helix	trans	-60.8	-53	174.9	-65.9	162.1	0	0	0	109.3	D668 A669 L670 M674 A675 E676 I696 Q699 L700	D668-I672 WeakPolarHBondContact O-CD1 3.35Å; D668-I672 WeakPolarHBondContact O-CG1 3.26Å; D668-I672 PolarHBondContact O-N 3.43Å; A669-I672 PolarHBondContact O-N 2.86Å; L670-I672 PolarHBondContact O-N 3.25Å; I672-M674 VanDerWaalsContact C-N 3.27Å; I672-M674 PolarHBondContact O-N 2.89Å; I672-A675 CarbonylContact O-C 3.4Å; I672-A675 WeakPolarHBondContact O-CB 3.41Å; I672-A675 PolarHBondContact O-N 3.22Å; I672-E676 HydrophobicContact CG2-CG 4.1Å; I672-E676 WeakPolarHBondContact O-CG 3.3Å; I672-E676 PolarHBondContact O-N 2.84Å; I672-I696 HydrophobicContact CD1-CB 4.44Å; I672-I696 HydrophobicContact CD1-CG1 4.25Å; I672-I696 HydrophobicContact CG1-CB 4.06Å; I672-I696 HydrophobicContact CG1-CG1 4.04Å; I672-I696 HydrophobicContact CG1-CG2 3.78Å; I672-Q699 HydrophobicContact CD1-CB 4.15Å; I672-Q699 HydrophobicContact CD1-CG 4.33Å; I672-Q699 HydrophobicContact CG2-CB 4.08Å; I672-L700 HydrophobicContact CG2-CD2 4.34Å
673	A	89.3	Confident	84.5	Confident	50 Å²	50	60.7 Å²	60.7	41%	0.413	32%	0.315	S	S	.	.	H	α-helix	trans	-59.3	-38	-179	0	0	0	0	0	112.5	A669 L670 F677	A669-A673 VanDerWaalsContact O-CB 3.28Å; A669-A673 WeakPolarHBondContact O-CB 3.16Å; A669-A673 PolarHBondContact O-N 3.35Å; L670-A673 PolarHBondContact O-N 2.83Å; A673-F677 VanDerWaalsContact O-CB 3.23Å; A673-F677 WeakPolarHBondContact O-CB 3.27Å; A673-F677 PolarHBondContact O-N 2.95Å
674	M	89.9	Confident	85	Confident	14 Å²	14	58.2 Å²	58.2	7%	0.069	30%	0.302	C	S	.	.	H	α-helix	trans	-64.5	-46.9	173.1	-73	171.8	61	0	0	111.3	L619 A640 L644 M655 F658 L670 T671 I672 E676 F677 L678	L619-M674 HydrophobicContact CD1-CE 4.05Å; A640-M674 HydrophobicContact CB-CE 3.67Å; L644-M674 HydrophobicContact CD1-CE 4.13Å; L644-M674 HydrophobicContact CD1-CG 4.24Å; M655-M674 HydrophobicContact CE-CE 3.82Å; M655-M674 HydrophobicContact SD-CE 4.26Å; F658-M674 HydrophobicContact CE1-SD 3.8Å; F658-M674 HydrophobicContact CE2-CE 4.03Å; F658-M674 HydrophobicContact CE2-SD 4.18Å; F658-M674 HydrophobicContact CZ-CE 3.99Å; F658-M674 HydrophobicContact CZ-SD 3.53Å; F658-M674 VanDerWaalsContact CZ-SD 3.53Å; L670-M674 WeakPolarHBondContact O-CB 3.39Å; L670-M674 VanDerWaalsContact O-CG 3.22Å; L670-M674 WeakPolarHBondContact O-CG 3.25Å; L670-M674 PolarHBondContact O-N 3.33Å; T671-M674 PolarHBondContact O-N 2.94Å; I672-M674 VanDerWaalsContact C-N 3.27Å; I672-M674 PolarHBondContact O-N 2.89Å; M674-E676 PolarHBondContact O-N 3.33Å; M674-F677 WeakPolarHBondContact O-CB 3.2Å; M674-F677 PolarHBondContact O-N 3.03Å; M674-L678 VanDerWaalsContact O-CG 3.24Å; M674-L678 WeakPolarHBondContact O-CG 3.12Å; M674-L678 PolarHBondContact O-N 3.46Å
675	A	89.3	Confident	85.7	Confident	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-62.5	-42.2	177.5	0	0	0	0	0	112.1	I572 T671 I672 L678 L679 I689 L700	I572-A675 HydrophobicContact CD1-CB 4.24Å; T671-A675 WeakPolarHBondContact O-CB 3.46Å; T671-A675 PolarHBondContact O-N 3.49Å; I672-A675 CarbonylContact O-C 3.4Å; I672-A675 WeakPolarHBondContact O-CB 3.41Å; I672-A675 PolarHBondContact O-N 3.22Å; A675-L678 PolarHBondContact O-N 2.85Å; A675-L679 WeakPolarHBondContact O-CG 3.31Å; A675-L679 PolarHBondContact O-N 3.41Å; A675-I689 HydrophobicContact CB-CD1 3.81Å; A675-L700 HydrophobicContact CB-CD1 3.72Å; A675-L700 HydrophobicContact CB-CD2 3.96Å
676	E	89.1	Confident	86.2	Confident	51 Å²	51	49 Å²	49	24%	0.238	26%	0.258	C	S	.	.	H	α-helix	trans	-61.9	-45.1	174.2	-67.9	-176.7	167.7	0	0	111.2	I672 M674 L678 L679 L680 L700 Y703	I672-E676 HydrophobicContact CG2-CG 4.1Å; I672-E676 WeakPolarHBondContact O-CG 3.3Å; I672-E676 PolarHBondContact O-N 2.84Å; M674-E676 PolarHBondContact O-N 3.33Å; E676-L678 VanDerWaalsContact C-N 3.25Å; E676-L678 PolarHBondContact O-N 3.39Å; E676-L679 PolarHBondContact O-N 3.09Å; E676-L680 WeakPolarHBondContact O-CB 3.45Å; E676-L680 VanDerWaalsContact O-CG 3.23Å; E676-L680 WeakPolarHBondContact O-CG 3.46Å; E676-L680 PolarHBondContact O-N 3.45Å; E676-L700 HydrophobicContact CG-CD2 3.94Å; E676-Y703 HydrophobicContact CG-CE2 3.8Å; E676-Y703 VanDerWaalsContact CG-OH 3.24Å; E676-Y703 WeakPolarHBondContact CG-OH 3.42Å
677	F	90.1	Very high	86.7	Confident	101 Å²	101	43.5 Å²	43.5	44%	0.443	23%	0.232	S	C	.	.	H	α-helix	trans	-57.1	-40.2	175.3	174.5	-97.9	0	0	0	112	L644 L647 A673 M674	L644-F677 HydrophobicContact CD2-CD1 4.18Å; L644-F677 HydrophobicContact CD2-CE1 4.3Å; L647-F677 HydrophobicContact CD1-CE1 4.27Å; A673-F677 VanDerWaalsContact O-CB 3.23Å; A673-F677 WeakPolarHBondContact O-CB 3.27Å; A673-F677 PolarHBondContact O-N 2.95Å; M674-F677 WeakPolarHBondContact O-CB 3.2Å; M674-F677 PolarHBondContact O-N 3.03Å
678	L	90	Very high	87.3	Confident	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.228	C	C	.	.	H	α-helix	trans	-68.6	-43.7	176.2	-64.9	174.5	0	0	0	112.1	I572 L644 L647 I653 M655 M674 A675 E676 L680 K681 C684 P685 T687	I572-L678 HydrophobicContact CD1-CB 4.16Å; L644-L678 HydrophobicContact CD2-CD2 3.75Å; L644-L678 HydrophobicContact CD2-CG 4.34Å; L647-L678 HydrophobicContact CD1-CD2 3.32Å; L647-L678 HydrophobicContact CD2-CD2 4.33Å; L647-L678 HydrophobicContact CG-CD2 4.45Å; I653-L678 HydrophobicContact CD1-CD1 3.94Å; I653-L678 HydrophobicContact CD1-CD2 4.1Å; M655-L678 HydrophobicContact CE-CD1 4.02Å; M674-L678 VanDerWaalsContact O-CG 3.24Å; M674-L678 WeakPolarHBondContact O-CG 3.12Å; M674-L678 PolarHBondContact O-N 3.46Å; A675-L678 PolarHBondContact O-N 2.85Å; E676-L678 VanDerWaalsContact C-N 3.25Å; E676-L678 PolarHBondContact O-N 3.39Å; L678-L680 PolarHBondContact O-N 3.35Å; L678-K681 PolarHBondContact O-N 3.14Å; L678-C684 PolarHBondContact O-SG 3.27Å; L678-C684 VanDerWaalsContact O-SG 3.35Å; L678-P685 HydrophobicContact CD2-CG 3.75Å; L678-T687 HydrophobicContact CD1-CG2 3.95Å
679	L	86.8	Confident	87.7	Confident	8 Å²	8	42.2 Å²	42.2	4%	0.042	23%	0.225	C	C	.	.	H	α-helix	trans	-64.5	-37.8	178.6	-74.7	163.8	0	0	0	113.1	I572 A675 E676 K681 L700 Y703 Q706 V707	I572-L679 HydrophobicContact CB-CD2 4.44Å; I572-L679 HydrophobicContact CD1-CD1 4.03Å; I572-L679 HydrophobicContact CD1-CD2 3.83Å; I572-L679 HydrophobicContact CD1-CG 3.51Å; I572-L679 HydrophobicContact CG1-CD2 3.8Å; I572-L679 HydrophobicContact CG1-CG 4.09Å; A675-L679 WeakPolarHBondContact O-CG 3.31Å; A675-L679 PolarHBondContact O-N 3.41Å; E676-L679 PolarHBondContact O-N 3.09Å; L679-K681 PolarHBondContact O-N 2.68Å; L679-L700 HydrophobicContact CD1-CD2 4.26Å; L679-Y703 HydrophobicContact CB-CD1 4.23Å; L679-Y703 HydrophobicContact CB-CE1 4.41Å; L679-Y703 HydrophobicContact CD1-CD1 3.95Å; L679-Y703 HydrophobicContact CD1-CD2 3.91Å; L679-Y703 HydrophobicContact CD1-CE1 4.42Å; L679-Y703 HydrophobicContact CD1-CE2 4.4Å; L679-Y703 HydrophobicContact CD1-CG 3.67Å; L679-Q706 HydrophobicContact CD2-CB 3.84Å; L679-V707 HydrophobicContact CD1-CG2 3.82Å; L679-V707 HydrophobicContact CD2-CG2 4.08Å
680	L	86.5	Confident	87.9	Confident	123 Å²	123	39.7 Å²	39.7	64%	0.644	21%	0.205	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.6	-9.4	-178.3	-68.8	172.3	0	0	0	113.1	E676 L678 Y703	E676-L680 WeakPolarHBondContact O-CB 3.45Å; E676-L680 VanDerWaalsContact O-CG 3.23Å; E676-L680 WeakPolarHBondContact O-CG 3.46Å; E676-L680 PolarHBondContact O-N 3.45Å; L678-L680 PolarHBondContact O-N 3.35Å; L680-Y703 HydrophobicContact CD2-CE1 4.35Å
681	K	82.5	Confident	87.8	Confident	76 Å²	76	37.1 Å²	37.1	33%	0.33	19%	0.192	S	C	.	.	S	Bend	trans	-70.3	139.7	170.7	-78	-160.3	171.2	-157.3	0	110.4	L647 L678 L679 E683	L647-K681 HydrophobicContact CD1-CD 4.39Å; L678-K681 PolarHBondContact O-N 3.14Å; L679-K681 PolarHBondContact O-N 2.68Å; K681-E683 PolarHBondContact O-N 2.88Å; K681-E683 VanDerWaalsContact O-N 3.1Å
682	N	75.5	Confident	87.2	Confident	176 Å²	176	40.1 Å²	40.1	94%	0.941	21%	0.205	S	C	*	.	S	Bend	trans	-52.4	-34.2	173.2	-65.3	-15	0	0	0	112.2
683	E	79.5	Confident	86.6	Confident	122 Å²	122	39.8 Å²	39.8	57%	0.57	20%	0.204	S	C	*	.	S	Bend	trans	-119.9	88.3	177.3	-82.4	-172.5	-152.2	0	0	109.9	S649 K681	S649-E683 WeakPolarHBondContact CB-OE2 3.36Å; S649-E683 PolarHBondContact OG-OE2 2.79Å; K681-E683 PolarHBondContact O-N 2.88Å; K681-E683 VanDerWaalsContact O-N 3.1Å
684	C	85.2	Confident	85.7	Confident	9 Å²	9	39.1 Å²	39.1	6%	0.061	19%	0.192	C	C	.	.	P	Polyproline II helix	trans	-73.9	125.7	-179.9	-176.1	0	0	0	0	111	K571 L678	K571-C684 HydrophobicContact CB-CB 4.34Å; K571-C684 WeakPolarHBondContact CD-O 3.25Å; K571-C684 WeakPolarHBondContact CE-O 3.47Å; K571-C684 HydrophobicContact CG-CB 4.3Å; K571-C684 PolarHBondContact NZ-O 2.87Å; K571-C684 VanDerWaalsContact NZ-O 3.14Å; L678-C684 PolarHBondContact O-SG 3.27Å; L678-C684 VanDerWaalsContact O-SG 3.35Å
685	P	90.6	Very high	85	Confident	0 Å²	0	44.2 Å²	44.2	0%	0	21%	0.214	C	C	.	.	P	Polyproline II helix	trans	-71.7	161.6	174.1	30.4	-34.6	0	0	0	111.6	L647 T651 I653 L678 T687	L647-P685 HydrophobicContact CD2-CG 4.26Å; T651-P685 WeakPolarHBondContact O-CB 3.36Å; I653-P685 HydrophobicContact CD1-CB 4.41Å; I653-P685 HydrophobicContact CD1-CG 3.99Å; L678-P685 HydrophobicContact CD2-CG 3.75Å; P685-T687 PolarHBondContact O-N 3.32Å; P685-T687 PolarHBondContact O-OG1 3.35Å
686	Y	92.2	Very high	84.5	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.008	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73	119.2	174.2	-70.4	-87.1	0	0	0	109.5	N539 C540 I541 S565 G567 K571 F613 T651 L652 I653	N539-Y686 HydrophobicContact CB-CE2 4.28Å; N539-Y686 WeakPolarHBondContact CB-OH 3.5Å; N539-Y686 PolarHBondContact O-OH 2.88Å; C540-Y686 PolarHBondContact N-OH 3.21Å; I541-Y686 HydrophobicContact CD1-CD1 4.06Å; I541-Y686 HydrophobicContact CD1-CG 3.98Å; I541-Y686 HydrophobicContact CG1-CD1 4.25Å; I541-Y686 HydrophobicContact CG1-CG 4.44Å; S565-Y686 WeakPolarHBondContact OG-CD1 3.39Å; S565-Y686 WeakPolarHBondContact OG-CE1 3.28Å; G567-Y686 WeakPolarHBondContact CA-OH 3.21Å; G567-Y686 PolarHBondContact N-OH 3.3Å; K571-Y686 HydrophobicContact CD-CD1 4.34Å; K571-Y686 HydrophobicContact CD-CE1 4Å; K571-Y686 HydrophobicContact CD-CE2 4.46Å; K571-Y686 VanDerWaalsContact NZ-CE2 3.27Å; K571-Y686 VanDerWaalsContact NZ-CZ 3.28Å; K571-Y686 PolarHBondContact NZ-OH 2.78Å; K571-Y686 VanDerWaalsContact NZ-OH 3.09Å; F613-Y686 AromaticContact CE1-CD2 3.52Å; F613-Y686 HydrophobicContact CE1-CD2 3.52Å; F613-Y686 HydrophobicContact CE1-CE2 4.26Å; F613-Y686 HydrophobicContact CE1-CG 4.07Å; F613-Y686 AromaticContact CZ-CD2 3.71Å; F613-Y686 HydrophobicContact CZ-CD2 3.71Å; F613-Y686 HydrophobicContact CZ-CE2 4.11Å; F613-Y686 HydrophobicContact CZ-CG 4.19Å; T651-Y686 PolarHBondContact O-N 2.85Å; L652-Y686 CarbonylContact C-O 3.43Å; L652-Y686 WeakPolarHBondContact CA-O 3.22Å; I653-Y686 PolarHBondContact N-O 2.76Å
687	T	93.1	Very high	83.9	Confident	1 Å²	1	42.1 Å²	42.1	1%	0.006	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125	-174.6	-52.9	0	0	0	0	110.7	K571 I572 T573 I653 M655 L678 P685 I689	K571-T687 PolarHBondContact O-N 3Å; I572-T687 CarbonylContact C-O 3.59Å; I572-T687 VanDerWaalsContact CA-O 3.27Å; I572-T687 WeakPolarHBondContact CA-O 3.43Å; T573-T687 PolarHBondContact N-O 3.5Å; I653-T687 HydrophobicContact CB-CG2 4.08Å; I653-T687 HydrophobicContact CG2-CG2 4.24Å; I653-T687 CarbonylContact O-C 3.54Å; I653-T687 VanDerWaalsContact O-CA 3.3Å; I653-T687 WeakPolarHBondContact O-CA 3.32Å; M655-T687 HydrophobicContact CE-CG2 4.03Å; L678-T687 HydrophobicContact CD1-CG2 3.95Å; P685-T687 PolarHBondContact O-N 3.32Å; P685-T687 PolarHBondContact O-OG1 3.35Å; T687-I689 HydrophobicContact CG2-CD1 4.08Å; T687-I689 HydrophobicContact CG2-CG1 3.74Å
688	I	94.1	Very high	83.2	Confident	2 Å²	2	46 Å²	46	1%	0.01	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	121.7	173.5	-54.9	165.5	0	0	0	107.9	F563 T573 M587 I590 L652 I653 I654 M655	F563-I688 HydrophobicContact CE1-CD1 4.27Å; F563-I688 HydrophobicContact CE2-CD1 4.24Å; F563-I688 HydrophobicContact CE2-CG1 4.38Å; F563-I688 HydrophobicContact CZ-CD1 3.84Å; F563-I688 HydrophobicContact CZ-CG1 4.02Å; T573-I688 CarbonylContact O-C 3.32Å; T573-I688 WeakPolarHBondContact O-CA 3.38Å; M587-I688 HydrophobicContact CG-CG2 3.79Å; M587-I688 HydrophobicContact SD-CG2 3.96Å; I590-I688 HydrophobicContact CB-CD1 4.2Å; I590-I688 HydrophobicContact CD1-CD1 3.67Å; I590-I688 HydrophobicContact CG2-CD1 3.79Å; L652-I688 HydrophobicContact CD1-CD1 4.48Å; I653-I688 PolarHBondContact O-N 2.82Å; I654-I688 CarbonylContact C-O 3.47Å; I654-I688 WeakPolarHBondContact CA-O 3.49Å; M655-I688 PolarHBondContact N-O 3.5Å
689	I	91.9	Very high	82.7	Confident	2 Å²	2	50.1 Å²	50.1	1%	0.01	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	108.7	-177.7	-53.5	179.3	0	0	0	108.2	I572 T573 L574 L575 M655 T671 A675 T687	I572-I689 HydrophobicContact CG2-CD1 4.09Å; I572-I689 HydrophobicContact CG2-CG1 4.47Å; T573-I689 PolarHBondContact O-N 3.41Å; L574-I689 WeakPolarHBondContact CA-O 3.36Å; L574-I689 HydrophobicContact CD2-CB 3.87Å; L574-I689 HydrophobicContact CD2-CD1 4.31Å; L574-I689 HydrophobicContact CD2-CG2 4.11Å; L575-I689 PolarHBondContact N-O 2.68Å; M655-I689 HydrophobicContact CB-CB 4.41Å; M655-I689 HydrophobicContact CB-CG1 4.22Å; M655-I689 HydrophobicContact CB-CG2 4.24Å; M655-I689 HydrophobicContact CG-CG1 4.21Å; M655-I689 HydrophobicContact SD-CD1 4.16Å; M655-I689 HydrophobicContact SD-CG1 4.08Å; T671-I689 HydrophobicContact CG2-CG2 3.98Å; A675-I689 HydrophobicContact CB-CD1 3.81Å; T687-I689 HydrophobicContact CG2-CD1 4.08Å; T687-I689 HydrophobicContact CG2-CG1 3.74Å
690	A	89.2	Confident	82.5	Confident	2 Å²	2	49.8 Å²	49.8	2%	0.017	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	125.5	167.4	0	0	0	0	0	110.6	L575 K583 M587 M655 E657	L575-A690 HydrophobicContact CB-CB 4.4Å; L575-A690 HydrophobicContact CD2-CB 4.46Å; L575-A690 VanDerWaalsContact O-CA 3.3Å; L575-A690 WeakPolarHBondContact O-CA 3.4Å; K583-A690 HydrophobicContact CB-CB 4.47Å; K583-A690 HydrophobicContact CD-CB 4.48Å; M587-A690 HydrophobicContact CE-CB 3.29Å; M587-A690 HydrophobicContact SD-CB 3.49Å; M587-A690 WeakPolarHBondContact SD-CB 3.23Å; M655-A690 PolarHBondContact O-N 2.99Å; E657-A690 PolarHBondContact N-O 3.07Å
691	T	83.3	Confident	82.1	Confident	12 Å²	12	49.5 Å²	49.5	7%	0.074	23%	0.229	C	C	.	.			trans	-144.6	147.8	175.2	-175.7	0	0	0	0	111.2	L575 N693 I696 L697	L575-T691 PolarHBondContact O-N 3.24Å; T691-N693 PolarHBondContact OG1-N 2.95Å; T691-I696 HydrophobicContact CG2-CB 4.45Å; T691-I696 HydrophobicContact CG2-CD1 4.28Å; T691-L697 HydrophobicContact CG2-CD2 4.44Å
692	H	75.4	Confident	81.9	Confident	69 Å²	69	51.9 Å²	51.9	32%	0.319	24%	0.242	S	C	.	.	S	Bend	trans	-96.1	6.3	168.8	62.2	-90.5	0	0	0	111.6	E657 K664	E657-H692 IonicContact OE1-ND1 3.3Å; K664-H692 VanDerWaalsContact CE-NE2 3.25Å; K664-H692 WeakPolarHBondContact CE-NE2 3.48Å; K664-H692 PolarHBondContact NZ-CD2 3.31Å; K664-H692 PolarHBondContact NZ-NE2 3.44Å
693	N	74.7	Confident	82.1	Confident	16 Å²	16	46 Å²	46	9%	0.086	21%	0.208	C	C	.	.			trans	-104.9	112.6	-175.3	-160.8	-30.6	0	0	0	113.4	K664 D668 T691 K695 I696	K664-N693 WeakPolarHBondContact CE-ND2 3.23Å; D668-N693 PolarHBondContact OD1-ND2 3.41Å; D668-N693 PolarHBondContact OD2-ND2 3.48Å; T691-N693 PolarHBondContact OG1-N 2.95Å; N693-K695 PolarHBondContact O-N 2.92Å; N693-K695 WeakPolarHBondContact OD1-CB 3.46Å; N693-K695 WeakPolarHBondContact OD1-CG 3.24Å; N693-K695 PolarHBondContact OD1-N 2.78Å; N693-I696 HydrophobicContact CB-CD1 4.27Å; N693-I696 HydrophobicContact CB-CG1 4.33Å; N693-I696 PolarHBondContact O-N 3.45Å
694	H	71.4	Confident	82.2	Confident	35 Å²	35	41.8 Å²	41.8	16%	0.162	20%	0.197	C	C	.	.	H	α-helix	trans	-68.6	-17.2	-179.2	-47.6	-52	0	0	0	114.4	I696 L697 R698 N732 L733 S735	H694-I696 VanDerWaalsContact C-N 3.34Å; H694-L697 HydrophobicContact CB-CD1 4.25Å; H694-L697 WeakPolarHBondContact O-CB 3.19Å; H694-L697 PolarHBondContact O-N 3.24Å; H694-R698 PolarHBondContact O-N 2.73Å; H694-N732 PolarHBondContact CE1-O 3.23Å; H694-N732 PolarHBondContact ND1-O 3.21Å; H694-N732 VanDerWaalsContact ND1-O 3.13Å; H694-L733 HydrophobicContact CB-CD2 3.79Å; H694-L733 PolarHBondContact CD2-O 3.37Å; H694-L733 VanDerWaalsContact CE1-C 3.5Å; H694-L733 VanDerWaalsContact CE1-CA 3.43Å; H694-L733 WeakPolarHBondContact CE1-CA 3.34Å; H694-L733 PolarHBondContact NE2-O 3.4Å; H694-L733 VanDerWaalsContact NE2-O 3.11Å; H694-S735 PolarHBondContact NE2-OG 2.7Å
695	K	75.4	Confident	82.1	Confident	122 Å²	122	45.3 Å²	45.3	53%	0.53	22%	0.22	S	C	.	.	H	α-helix	trans	-65.5	-38.4	177.7	-65.8	-177.3	179.8	-177.7	0	112.1	L665 N693 L697 R698 Q699	L665-K695 HydrophobicContact CD2-CD 4.26Å; L665-K695 VanDerWaalsContact CD2-NZ 3.27Å; N693-K695 PolarHBondContact O-N 2.92Å; N693-K695 WeakPolarHBondContact OD1-CB 3.46Å; N693-K695 WeakPolarHBondContact OD1-CG 3.24Å; N693-K695 PolarHBondContact OD1-N 2.78Å; K695-L697 VanDerWaalsContact C-N 3.32Å; K695-R698 PolarHBondContact O-N 3.23Å; K695-Q699 PolarHBondContact O-N 3.12Å
696	I	78.8	Confident	81.8	Confident	3 Å²	3	48.8 Å²	48.8	2%	0.015	24%	0.236	C	C	.	.	H	α-helix	trans	-62.1	-44.3	176.7	-56.2	-179.7	0	0	0	109.9	L574 D668 T671 I672 T691 N693 H694 R698 Q699 L700	L574-I696 HydrophobicContact CD2-CG2 4.32Å; D668-I696 HydrophobicContact CB-CD1 4.17Å; D668-I696 HydrophobicContact CB-CG1 3.92Å; T671-I696 HydrophobicContact CG2-CD1 4.09Å; I672-I696 HydrophobicContact CD1-CB 4.44Å; I672-I696 HydrophobicContact CD1-CG1 4.25Å; I672-I696 HydrophobicContact CG1-CB 4.06Å; I672-I696 HydrophobicContact CG1-CG1 4.04Å; I672-I696 HydrophobicContact CG1-CG2 3.78Å; T691-I696 HydrophobicContact CG2-CB 4.45Å; T691-I696 HydrophobicContact CG2-CD1 4.28Å; N693-I696 HydrophobicContact CB-CD1 4.27Å; N693-I696 HydrophobicContact CB-CG1 4.33Å; N693-I696 PolarHBondContact O-N 3.45Å; H694-I696 VanDerWaalsContact C-N 3.34Å; I696-R698 PolarHBondContact O-N 2.83Å; I696-Q699 PolarHBondContact O-N 2.82Å; I696-L700 HydrophobicContact CG2-CD1 3.93Å; I696-L700 PolarHBondContact O-N 3.44Å
697	L	75.3	Confident	81.6	Confident	4 Å²	4	49 Å²	49	2%	0.021	24%	0.238	C	C	.	.	H	α-helix	trans	-59.7	-47.3	-179.4	-53	169.9	0	0	0	112	L574 T576 T691 H694 K695 Q699 L700 Q701 Y709 L731	L574-L697 HydrophobicContact CB-CD2 3.76Å; L574-L697 HydrophobicContact CD1-CD2 4.06Å; L574-L697 HydrophobicContact CD2-CD2 4.43Å; L574-L697 HydrophobicContact CG-CD2 4.3Å; T576-L697 HydrophobicContact CG2-CD1 3.45Å; T576-L697 VanDerWaalsContact CG2-CD1 3.45Å; T576-L697 HydrophobicContact CG2-CD2 3.55Å; T576-L697 HydrophobicContact CG2-CG 4.05Å; T691-L697 HydrophobicContact CG2-CD2 4.44Å; H694-L697 HydrophobicContact CB-CD1 4.25Å; H694-L697 WeakPolarHBondContact O-CB 3.19Å; H694-L697 PolarHBondContact O-N 3.24Å; K695-L697 VanDerWaalsContact C-N 3.32Å; L697-Q699 VanDerWaalsContact C-N 3.29Å; L697-Q699 PolarHBondContact O-N 2.97Å; L697-L700 PolarHBondContact O-N 3.45Å; L697-Q701 PolarHBondContact O-N 2.59Å; L697-Y709 HydrophobicContact CB-CE1 4.45Å; L697-Y709 HydrophobicContact CD2-CD1 4.2Å; L697-Y709 HydrophobicContact CD2-CE1 4.36Å; L697-L731 HydrophobicContact CB-CD2 4.11Å; L697-L731 HydrophobicContact CD1-CD2 3.76Å; L697-L731 HydrophobicContact CD2-CD2 4.22Å; L697-L731 HydrophobicContact CG-CD2 4.24Å
698	R	75.4	Confident	81.5	Confident	182 Å²	182	49.8 Å²	49.8	69%	0.687	24%	0.241	S	C	*	.	H	α-helix	trans	-61.9	-37.1	-177.8	-77.2	-173.1	-177.8	175.2	0.6	112.4	H694 K695 I696	H694-R698 PolarHBondContact O-N 2.73Å; K695-R698 PolarHBondContact O-N 3.23Å; I696-R698 PolarHBondContact O-N 2.83Å
699	Q	79.9	Confident	81.3	Confident	87 Å²	87	51.5 Å²	51.5	41%	0.407	25%	0.248	S	C	.	.	H	α-helix	trans	-72.3	-44.6	179.3	-93.2	-60	9.9	0	0	112.2	I672 K695 I696 L697 Q701 M702	I672-Q699 HydrophobicContact CD1-CB 4.15Å; I672-Q699 HydrophobicContact CD1-CG 4.33Å; I672-Q699 HydrophobicContact CG2-CB 4.08Å; K695-Q699 PolarHBondContact O-N 3.12Å; I696-Q699 PolarHBondContact O-N 2.82Å; L697-Q699 VanDerWaalsContact C-N 3.29Å; L697-Q699 PolarHBondContact O-N 2.97Å; Q699-Q701 PolarHBondContact O-N 3.28Å; Q699-Q701 VanDerWaalsContact O-N 3.16Å; Q699-M702 WeakPolarHBondContact O-CG 3.14Å
700	L	82.7	Confident	81.3	Confident	0 Å²	0	51.7 Å²	51.7	0%	0	25%	0.249	C	C	.	.	H	α-helix	trans	-72.8	-10.2	-177.3	-64.1	175.4	0	0	0	113.5	L574 I672 A675 E676 L679 I696 L697 M702 Y703 V707 Y709	L574-L700 HydrophobicContact CD1-CB 3.85Å; L574-L700 HydrophobicContact CD1-CD1 3.74Å; L574-L700 HydrophobicContact CD1-CG 4.44Å; L574-L700 HydrophobicContact CD2-CD1 3.89Å; L574-L700 HydrophobicContact CG-CD1 4.33Å; I672-L700 HydrophobicContact CG2-CD2 4.34Å; A675-L700 HydrophobicContact CB-CD1 3.72Å; A675-L700 HydrophobicContact CB-CD2 3.96Å; E676-L700 HydrophobicContact CG-CD2 3.94Å; L679-L700 HydrophobicContact CD1-CD2 4.26Å; I696-L700 HydrophobicContact CG2-CD1 3.93Å; I696-L700 PolarHBondContact O-N 3.44Å; L697-L700 PolarHBondContact O-N 3.45Å; L700-M702 PolarHBondContact O-N 3.42Å; L700-Y703 HydrophobicContact CD2-CD2 4.21Å; L700-Y703 HydrophobicContact CD2-CE2 4.15Å; L700-Y703 PolarHBondContact O-N 3.37Å; L700-V707 HydrophobicContact CB-CG1 4.46Å; L700-Y709 PolarHBondContact O-OH 2.99Å; L700-Y709 VanDerWaalsContact O-OH 3.11Å
701	Q	78	Confident	81.3	Confident	117 Å²	117	52.2 Å²	52.2	55%	0.547	25%	0.252	S	S	.	.	G	3₁₀ helix	trans	-60.7	-26.3	177.3	-163.4	173.3	-0.8	0	0	113.6	L697 Q699 Y703 G704 Y709	L697-Q701 PolarHBondContact O-N 2.59Å; Q699-Q701 PolarHBondContact O-N 3.28Å; Q699-Q701 VanDerWaalsContact O-N 3.16Å; Q701-Y703 PolarHBondContact O-N 3.28Å; Q701-G704 PolarHBondContact O-N 3.48Å; Q701-Y709 WeakPolarHBondContact CA-OH 3.45Å; Q701-Y709 PolarHBondContact N-OH 3.27Å
702	M	78.6	Confident	81.6	Confident	126 Å²	126	51.7 Å²	51.7	62%	0.621	25%	0.249	S	C	*	.	G	3₁₀ helix	trans	-69.5	-18.1	179.9	69.9	-177.1	56.3	0	0	114.4	Q699 L700 G704	Q699-M702 WeakPolarHBondContact O-CG 3.14Å; L700-M702 PolarHBondContact O-N 3.42Å; M702-G704 PolarHBondContact O-N 3.2Å
703	Y	79.3	Confident	82.2	Confident	53 Å²	53	53.4 Å²	53.4	21%	0.208	25%	0.252	C	S	.	.	G	3₁₀ helix	trans	-82.3	4.3	-178.2	-67.5	-87.9	0	0	0	113.8	E676 L679 L680 L700 Q701	E676-Y703 HydrophobicContact CG-CE2 3.8Å; E676-Y703 VanDerWaalsContact CG-OH 3.24Å; E676-Y703 WeakPolarHBondContact CG-OH 3.42Å; L679-Y703 HydrophobicContact CB-CD1 4.23Å; L679-Y703 HydrophobicContact CB-CE1 4.41Å; L679-Y703 HydrophobicContact CD1-CD1 3.95Å; L679-Y703 HydrophobicContact CD1-CD2 3.91Å; L679-Y703 HydrophobicContact CD1-CE1 4.42Å; L679-Y703 HydrophobicContact CD1-CE2 4.4Å; L679-Y703 HydrophobicContact CD1-CG 3.67Å; L680-Y703 HydrophobicContact CD2-CE1 4.35Å; L700-Y703 HydrophobicContact CD2-CD2 4.21Å; L700-Y703 HydrophobicContact CD2-CE2 4.15Å; L700-Y703 PolarHBondContact O-N 3.37Å; Q701-Y703 PolarHBondContact O-N 3.28Å
704	G	81.4	Confident	82.7	Confident	34 Å²	34	54.2 Å²	54.2	35%	0.351	26%	0.258	S	S	.	.	G	3₁₀ helix	trans	62.7	-138.2	170.2	0	0	0	0	0	113.7	Q701 M702 Q706 V707	Q701-G704 PolarHBondContact O-N 3.48Å; M702-G704 PolarHBondContact O-N 3.2Å; G704-Q706 PolarHBondContact O-N 2.76Å; G704-Q706 VanDerWaalsContact O-N 3.16Å; G704-V707 PolarHBondContact O-N 3.45Å
705	P	82.9	Confident	83.2	Confident	83 Å²	83	55.6 Å²	55.6	54%	0.539	27%	0.269	S	S	.	.	G	3₁₀ helix	trans	-72.6	-8.4	-167.9	31.4	-36.9	0	0	0	114.4	K569 H570 V707	K569-P705 HydrophobicContact CG-CB 4.42Å; H570-P705 PolarHBondContact N-O 3.48Å; P705-V707 PolarHBondContact O-N 2.77Å
706	Q	85.4	Confident	83.4	Confident	72 Å²	72	55 Å²	55	34%	0.336	28%	0.277	S	S	.	.	G	3₁₀ helix	trans	-68.8	-23.3	173.2	-70	-172.9	-38.7	0	0	112	H570 K571 I572 L679 G704	H570-Q706 CarbonylContact C-O 3.57Å; H570-Q706 WeakPolarHBondContact CA-O 3.49Å; K571-Q706 PolarHBondContact N-O 3.39Å; I572-Q706 PolarHBondContact N-O 2.99Å; I572-Q706 VanDerWaalsContact N-O 3.11Å; L679-Q706 HydrophobicContact CD2-CB 3.84Å; G704-Q706 PolarHBondContact O-N 2.76Å; G704-Q706 VanDerWaalsContact O-N 3.16Å
707	V	88.2	Confident	83.3	Confident	7 Å²	7	60.2 Å²	60.2	4%	0.042	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	119.9	-179	-172	0	0	0	0	110.1	I572 L574 L679 L700 G704 P705 Y709	I572-V707 HydrophobicContact CB-CG2 4.5Å; I572-V707 CarbonylContact O-C 3.59Å; I572-V707 VanDerWaalsContact O-CA 3.28Å; I572-V707 WeakPolarHBondContact O-CA 3.47Å; L574-V707 HydrophobicContact CD1-CG1 3.47Å; L574-V707 VanDerWaalsContact CD1-CG1 3.47Å; L574-V707 HydrophobicContact CG-CG1 4.1Å; L679-V707 HydrophobicContact CD1-CG2 3.82Å; L679-V707 HydrophobicContact CD2-CG2 4.08Å; L700-V707 HydrophobicContact CB-CG1 4.46Å; G704-V707 PolarHBondContact O-N 3.45Å; P705-V707 PolarHBondContact O-N 2.77Å; V707-Y709 HydrophobicContact CB-CE2 4.23Å; V707-Y709 HydrophobicContact CG1-CE1 4.1Å; V707-Y709 HydrophobicContact CG1-CE2 3.94Å; V707-Y709 VanDerWaalsContact CG1-OH 3.31Å; V707-Y709 WeakPolarHBondContact CG1-OH 3.39Å; V707-Y709 WeakPolarHBondContact O-CE2 3.38Å
708	Q	90	Very high	83	Confident	17 Å²	17	67.7 Å²	67.7	8%	0.079	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	143.7	173.9	-173.6	-176.4	14.7	0	0	110.6	Y564 H570 I572 T573 L574 L710 N729	Y564-Q708 PolarHBondContact O-OE1 2.71Å; H570-Q708 HydrophobicContact CB-CB 3.79Å; H570-Q708 HydrophobicContact CB-CG 4.46Å; I572-Q708 PolarHBondContact O-N 2.89Å; T573-Q708 CarbonylContact C-O 3.55Å; T573-Q708 WeakPolarHBondContact CA-O 3.35Å; T573-Q708 HydrophobicContact CG2-CB 4.33Å; T573-Q708 HydrophobicContact CG2-CG 4.46Å; T573-Q708 PolarHBondContact OG1-OE1 3.37Å; L574-Q708 PolarHBondContact N-O 2.87Å; Q708-L710 HydrophobicContact CG-CD2 4.42Å; Q708-L710 HydrophobicContact CG-CG 4.4Å; Q708-N729 PolarHBondContact NE2-OD1 2.81Å
709	Y	90	Very high	82.6	Confident	38 Å²	38	62.4 Å²	62.4	15%	0.149	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	115.1	178.8	-59.8	-85.5	0	0	0	110.3	L574 L697 L700 Q701 V707 G730 L731	L574-Y709 HydrophobicContact CB-CD1 4.09Å; L574-Y709 HydrophobicContact CB-CE1 4.36Å; L574-Y709 HydrophobicContact CD1-CD1 3.99Å; L574-Y709 HydrophobicContact CD1-CE1 3.4Å; L574-Y709 HydrophobicContact CG-CE1 4.49Å; L697-Y709 HydrophobicContact CB-CE1 4.45Å; L697-Y709 HydrophobicContact CD2-CD1 4.2Å; L697-Y709 HydrophobicContact CD2-CE1 4.36Å; L700-Y709 PolarHBondContact O-OH 2.99Å; L700-Y709 VanDerWaalsContact O-OH 3.11Å; Q701-Y709 WeakPolarHBondContact CA-OH 3.45Å; Q701-Y709 PolarHBondContact N-OH 3.27Å; V707-Y709 HydrophobicContact CB-CE2 4.23Å; V707-Y709 HydrophobicContact CG1-CE1 4.1Å; V707-Y709 HydrophobicContact CG1-CE2 3.94Å; V707-Y709 VanDerWaalsContact CG1-OH 3.31Å; V707-Y709 WeakPolarHBondContact CG1-OH 3.39Å; V707-Y709 WeakPolarHBondContact O-CE2 3.38Å; Y709-G730 CarbonylContact C-O 3.57Å; Y709-G730 PolarHBondContact O-N 3.37Å; Y709-L731 HydrophobicContact CD1-CD2 3.44Å; Y709-L731 VanDerWaalsContact CD1-CD2 3.44Å; Y709-L731 HydrophobicContact CD1-CG 4.32Å; Y709-L731 HydrophobicContact CE1-CD2 4.21Å; Y709-L731 HydrophobicContact CG-CD2 3.9Å; Y709-L731 HydrophobicContact CG-CG 4.32Å
710	L	91.6	Very high	82.1	Confident	6 Å²	6	64.8 Å²	64.8	3%	0.031	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	148.4	174.2	-63.9	-176.7	0	0	0	110.2	F563 T573 L574 L575 T576 Y586 Q708 V728 N729 G730	F563-L710 HydrophobicContact CD2-CD1 4.33Å; T573-L710 HydrophobicContact CG2-CB 4.32Å; T573-L710 HydrophobicContact CG2-CD1 3.54Å; T573-L710 HydrophobicContact CG2-CG 3.72Å; L574-L710 PolarHBondContact O-N 3.26Å; L574-L710 VanDerWaalsContact O-O 3.14Å; L575-L710 WeakPolarHBondContact CA-O 3.43Å; L575-L710 HydrophobicContact CD1-CB 3.74Å; T576-L710 PolarHBondContact N-O 2.71Å; T576-L710 PolarHBondContact OG1-O 2.84Å; T576-L710 VanDerWaalsContact OG1-O 3.07Å; Y586-L710 HydrophobicContact CE1-CD1 3.96Å; Y586-L710 WeakPolarHBondContact OH-CD1 3.18Å; Q708-L710 HydrophobicContact CG-CD2 4.42Å; Q708-L710 HydrophobicContact CG-CG 4.4Å; L710-V728 WeakPolarHBondContact CA-O 3.44Å; L710-N729 WeakPolarHBondContact CD2-OD1 2.93Å; L710-G730 CarbonylContact C-O 3.52Å
711	T	90.2	Very high	81.6	Confident	13 Å²	13	66 Å²	66	8%	0.08	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.3	145.3	171.8	-159.6	0	0	0	0	111.5	T576 R713 V728 N732	T576-T711 CarbonylContact O-C 3.38Å; T576-T711 VanDerWaalsContact O-CA 3.26Å; T576-T711 WeakPolarHBondContact O-CA 3.28Å; T576-T711 PolarHBondContact O-OG1 2.83Å; T576-T711 WeakPolarHBondContact OG1-CB 3.43Å; T576-T711 PolarHBondContact OG1-OG1 3.29Å; T711-R713 PolarHBondContact O-N 3.43Å; T711-V728 HydrophobicContact CG2-CG2 3.89Å; T711-V728 PolarHBondContact N-O 3.27Å; T711-V728 WeakPolarHBondContact O-CG2 3.11Å; T711-V728 PolarHBondContact O-N 3.06Å; T711-N732 HydrophobicContact CG2-CB 4.31Å; T711-N732 WeakPolarHBondContact OG1-CB 3.44Å; T711-N732 PolarHBondContact OG1-N 3.43Å
712	M	89.6	Confident	81.6	Confident	2 Å²	2	63.5 Å²	63.5	1%	0.01	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	122.7	173	-59.7	-55.9	-66.1	0	0	109	L575 T576 S581 K583 T714 Y725 E726 A727	L575-M712 HydrophobicContact CD1-CG 4.38Å; L575-M712 HydrophobicContact CD1-SD 3.99Å; T576-M712 PolarHBondContact O-N 3.43Å; S581-M712 WeakPolarHBondContact O-CE 3.21Å; S581-M712 VanDerWaalsContact OG-CB 3.29Å; S581-M712 WeakPolarHBondContact OG-CB 3.37Å; S581-M712 VanDerWaalsContact OG-CG 3.3Å; S581-M712 WeakPolarHBondContact OG-CG 3.02Å; K583-M712 HydrophobicContact CG-CG 3.7Å; M712-T714 PolarHBondContact O-N 3.11Å; M712-Y725 VanDerWaalsContact CE-C 3.44Å; M712-E726 CarbonylContact C-O 3.52Å; M712-E726 WeakPolarHBondContact CA-O 3.4Å; M712-A727 HydrophobicContact SD-CB 3.94Å
713	R	88.5	Confident	81.8	Confident	104 Å²	104	58.6 Å²	58.6	39%	0.392	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64	127.9	-177.4	-169.6	169.6	68.9	160.3	6.2	110.6	T711 L724 E726 V728	T711-R713 PolarHBondContact O-N 3.43Å; R713-L724 HydrophobicContact CB-CB 4.49Å; R713-L724 HydrophobicContact CG-CD1 4.16Å; R713-L724 PolarHBondContact O-N 2.96Å; R713-E726 HydrophobicContact CB-CB 4.34Å; R713-E726 WeakPolarHBondContact CB-O 3.31Å; R713-E726 IonicContact CZ-OE2 3.28Å; R713-E726 PolarHBondContact N-O 3.5Å; R713-E726 IonicContact NE-OE2 3.49Å; R713-E726 PolarHBondContact NE-OE2 2.97Å; R713-E726 IonicContact NH1-OE2 3.76Å; R713-E726 IonicContact NH2-OE2 2.7Å; R713-E726 PolarHBondContact NH2-OE2 3.24Å; R713-V728 HydrophobicContact CB-CG1 4.25Å; R713-V728 HydrophobicContact CB-CG2 4.12Å
714	T	83.6	Confident	82.1	Confident	33 Å²	33	58.5 Å²	58.5	20%	0.202	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.3	139.3	179.2	53.4	0	0	0	0	109.6	P578 M712 V721 V722 N732	P578-T714 HydrophobicContact CG-CG2 3.86Å; M712-T714 PolarHBondContact O-N 3.11Å; T714-V721 HydrophobicContact CG2-CG1 3.95Å; T714-V722 WeakPolarHBondContact CA-O 3.45Å; T714-N732 PolarHBondContact OG1-ND2 2.88Å
715	V	82.7	Confident	82.4	Confident	65 Å²	65	62.2 Å²	62.2	39%	0.394	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	130.8	176.4	177.5	0	0	0	0	109.2	H717 V722 L724	V715-H717 PolarHBondContact O-N 3.13Å; V715-V722 PolarHBondContact N-O 3.37Å; V715-V722 PolarHBondContact O-N 2.84Å; V715-L724 HydrophobicContact CG2-CD1 3.55Å; V715-L724 HydrophobicContact CG2-CG 4.17Å
716	P	78.8	Confident	82.7	Confident	110 Å²	110	61.2 Å²	61.2	71%	0.714	32%	0.316	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71.1	123.8	169.7	29.3	-31.9	0	0	0	109.3	R720	P716-R720 CarbonylContact C-O 3.53Å; P716-R720 WeakPolarHBondContact CA-O 3.03Å
717	H	76.2	Confident	83	Confident	111 Å²	111	58.5 Å²	58.5	51%	0.514	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	119	176.7	-172.8	69.2	0	0	0	109.1	V715 G719 R720 V722	V715-H717 PolarHBondContact O-N 3.13Å; H717-G719 VanDerWaalsContact C-N 3.3Å; H717-G719 PolarHBondContact O-N 3.07Å; H717-R720 PolarHBondContact N-O 3.49Å; H717-R720 CarbonylContact O-C 3.56Å; H717-R720 WeakPolarHBondContact O-CA 3.42Å; H717-R720 WeakPolarHBondContact O-CB 3.49Å; H717-R720 PolarHBondContact O-N 3.36Å; H717-R720 VanDerWaalsContact O-O 3.12Å; H717-V722 HydrophobicContact CB-CG2 3.89Å
718	E	70.6	Confident	83.1	Confident	162 Å²	162	60.2 Å²	60.2	76%	0.757	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.6	44.3	178.1	-58.8	-173.5	162.8	0	0	114.2	R720	E718-R720 PolarHBondContact O-N 2.9Å; E718-R720 VanDerWaalsContact O-N 3.12Å
719	G	66.1	Low	83	Confident	71 Å²	71	65.5 Å²	65.5	73%	0.732	35%	0.346	S	S	*	.	T	Hydrogen-bonded Turn	trans	72.4	-0.7	-177.5	0	0	0	0	0	114.7	H717	H717-G719 VanDerWaalsContact C-N 3.3Å; H717-G719 PolarHBondContact O-N 3.07Å
720	R	69	Low	82.7	Confident	137 Å²	137	65 Å²	65	52%	0.517	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	158	174.5	-58.2	178.7	-178.4	175.6	1.2	110.7	P716 H717 E718 A743	P716-R720 CarbonylContact C-O 3.53Å; P716-R720 WeakPolarHBondContact CA-O 3.03Å; H717-R720 PolarHBondContact N-O 3.49Å; H717-R720 CarbonylContact O-C 3.56Å; H717-R720 WeakPolarHBondContact O-CA 3.42Å; H717-R720 WeakPolarHBondContact O-CB 3.49Å; H717-R720 PolarHBondContact O-N 3.36Å; H717-R720 VanDerWaalsContact O-O 3.12Å; E718-R720 PolarHBondContact O-N 2.9Å; E718-R720 VanDerWaalsContact O-N 3.12Å; R720-A743 HydrophobicContact CG-CB 4.39Å
721	V	72.4	Confident	81.9	Confident	26 Å²	26	68.2 Å²	68.2	16%	0.158	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	108.3	178.4	-180	0	0	0	0	107	T714 E736	T714-V721 HydrophobicContact CG2-CG1 3.95Å; V721-E736 WeakPolarHBondContact CG1-OE2 3.07Å; V721-E736 HydrophobicContact CG2-CB 4.25Å; V721-E736 HydrophobicContact CG2-CG 4.47Å; V721-E736 WeakPolarHBondContact CG2-OE2 3.46Å
722	V	79.2	Confident	80.9	Confident	63 Å²	63	68.7 Å²	68.7	38%	0.382	37%	0.371	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	120.5	178.1	-178.2	0	0	0	0	108.3	T714 V715 H717 L724	T714-V722 WeakPolarHBondContact CA-O 3.45Å; V715-V722 PolarHBondContact N-O 3.37Å; V715-V722 PolarHBondContact O-N 2.84Å; H717-V722 HydrophobicContact CB-CG2 3.89Å; V722-L724 HydrophobicContact CG1-CD2 4.32Å
723	C	81.7	Confident	79.7	Confident	23 Å²	23	73.1 Å²	73.1	16%	0.155	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.9	124.7	175	-65.9	0	0	0	0	109.3	S581 Y725	S581-C723 VanDerWaalsContact CB-SG 3.52Å; C723-Y725 VanDerWaalsContact C-N 3.33Å; C723-Y725 WeakPolarHBondContact O-CD2 3.43Å; C723-Y725 VanDerWaalsContact O-CE2 3.27Å; C723-Y725 WeakPolarHBondContact O-CE2 3.21Å
724	L	86.7	Confident	78.6	Confident	51 Å²	51	76.6 Å²	76.6	27%	0.267	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	4	178.5	-60.8	-174.9	0	0	0	112.8	I559 R713 V715 V722 E726	I559-L724 WeakPolarHBondContact CD1-O 3.48Å; R713-L724 HydrophobicContact CB-CB 4.49Å; R713-L724 HydrophobicContact CG-CD1 4.16Å; R713-L724 PolarHBondContact O-N 2.96Å; V715-L724 HydrophobicContact CG2-CD1 3.55Å; V715-L724 HydrophobicContact CG2-CG 4.17Å; V722-L724 HydrophobicContact CG1-CD2 4.32Å; L724-E726 PolarHBondContact O-N 3.41Å
725	Y	86.6	Confident	77.5	Confident	112 Å²	112	78.5 Å²	78.5	44%	0.439	42%	0.422	S	S	.	.	E	Extended strand (participates in β ladder)	trans	51.6	21.5	179.8	-49.6	-86.5	0	0	0	115.3	I559 N561 G580 S581 M712 C723	I559-Y725 HydrophobicContact CD1-CD2 4.24Å; N561-Y725 PolarHBondContact ND2-O 3.15Å; G580-Y725 VanDerWaalsContact O-CE1 3.25Å; G580-Y725 WeakPolarHBondContact O-CE1 3.48Å; S581-Y725 WeakPolarHBondContact O-CD1 3.47Å; M712-Y725 VanDerWaalsContact CE-C 3.44Å; C723-Y725 VanDerWaalsContact C-N 3.33Å; C723-Y725 WeakPolarHBondContact O-CD2 3.43Å; C723-Y725 VanDerWaalsContact O-CE2 3.27Å; C723-Y725 WeakPolarHBondContact O-CE2 3.21Å
726	E	90.3	Very high	76.8	Confident	62 Å²	62	77.1 Å²	77.1	29%	0.29	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	126.8	178.8	-173.4	-179	156.2	0	0	110	I559 N561 M712 R713 L724 V728	I559-E726 HydrophobicContact CG2-CB 4.33Å; N561-E726 VanDerWaalsContact OD1-CA 3.23Å; N561-E726 WeakPolarHBondContact OD1-CA 3.44Å; M712-E726 CarbonylContact C-O 3.52Å; M712-E726 WeakPolarHBondContact CA-O 3.4Å; R713-E726 HydrophobicContact CB-CB 4.34Å; R713-E726 WeakPolarHBondContact CB-O 3.31Å; R713-E726 IonicContact CZ-OE2 3.28Å; R713-E726 PolarHBondContact N-O 3.5Å; R713-E726 IonicContact NE-OE2 3.49Å; R713-E726 PolarHBondContact NE-OE2 2.97Å; R713-E726 IonicContact NH1-OE2 3.76Å; R713-E726 IonicContact NH2-OE2 2.7Å; R713-E726 PolarHBondContact NH2-OE2 3.24Å; L724-E726 PolarHBondContact O-N 3.41Å; E726-V728 HydrophobicContact CG-CG1 4.21Å
727	A	91.2	Very high	76.3	Confident	16 Å²	16	75.6 Å²	75.6	13%	0.132	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.9	122.2	174.4	0	0	0	0	0	109.8	N561 Y586 M712	N561-A727 PolarHBondContact OD1-N 3.4Å; Y586-A727 HydrophobicContact CD1-CB 4.48Å; Y586-A727 HydrophobicContact CD2-CB 3.88Å; Y586-A727 HydrophobicContact CE1-CB 4.15Å; Y586-A727 HydrophobicContact CE2-CB 3.56Å; Y586-A727 HydrophobicContact CG-CB 4.32Å; M712-A727 HydrophobicContact SD-CB 3.94Å
728	V	91	Very high	76.2	Confident	43 Å²	43	72 Å²	72	26%	0.261	39%	0.392	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	152.9	178.7	-63.6	0	0	0	0	110.8	L710 T711 R713 E726 G730	L710-V728 WeakPolarHBondContact CA-O 3.44Å; T711-V728 HydrophobicContact CG2-CG2 3.89Å; T711-V728 PolarHBondContact N-O 3.27Å; T711-V728 WeakPolarHBondContact O-CG2 3.11Å; T711-V728 PolarHBondContact O-N 3.06Å; R713-V728 HydrophobicContact CB-CG1 4.25Å; R713-V728 HydrophobicContact CB-CG2 4.12Å; E726-V728 HydrophobicContact CG-CG1 4.21Å; V728-G730 PolarHBondContact O-N 2.85Å
729	N	87.5	Confident	76.2	Confident	127 Å²	127	66 Å²	66	68%	0.679	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.6	129.8	172.5	-73.1	-35.3	0	0	0	109.8	Q708 L710	Q708-N729 PolarHBondContact NE2-OD1 2.81Å; L710-N729 WeakPolarHBondContact CD2-OD1 2.93Å
730	G	82.7	Confident	76.4	Confident	28 Å²	28	64.6 Å²	64.6	29%	0.289	35%	0.345	S	S	.	.	S	Bend	trans	147.5	179.5	176.8	0	0	0	0	0	114	Y709 L710 V728	Y709-G730 CarbonylContact C-O 3.57Å; Y709-G730 PolarHBondContact O-N 3.37Å; L710-G730 CarbonylContact C-O 3.52Å; V728-G730 PolarHBondContact O-N 2.85Å
731	L	75	Confident	76.6	Confident	73 Å²	73	59.3 Å²	59.3	38%	0.382	33%	0.331	S	S	.	.			trans	-120.4	116	179.6	-70.9	163.7	0	0	0	108.1	L697 Y709	L697-L731 HydrophobicContact CB-CD2 4.11Å; L697-L731 HydrophobicContact CD1-CD2 3.76Å; L697-L731 HydrophobicContact CD2-CD2 4.22Å; L697-L731 HydrophobicContact CG-CD2 4.24Å; Y709-L731 HydrophobicContact CD1-CD2 3.44Å; Y709-L731 VanDerWaalsContact CD1-CD2 3.44Å; Y709-L731 HydrophobicContact CD1-CG 4.32Å; Y709-L731 HydrophobicContact CE1-CD2 4.21Å; Y709-L731 HydrophobicContact CG-CD2 3.9Å; Y709-L731 HydrophobicContact CG-CG 4.32Å
732	N	69.5	Low	76.7	Confident	23 Å²	23	60.6 Å²	60.6	12%	0.123	34%	0.337	C	S	.	.			trans	-91.9	115.2	165.5	-168.5	-17.8	0	0	0	108.4	H694 T711 T714 R734	H694-N732 PolarHBondContact CE1-O 3.23Å; H694-N732 PolarHBondContact ND1-O 3.21Å; H694-N732 VanDerWaalsContact ND1-O 3.13Å; T711-N732 HydrophobicContact CG2-CB 4.31Å; T711-N732 WeakPolarHBondContact OG1-CB 3.44Å; T711-N732 PolarHBondContact OG1-N 3.43Å; T714-N732 PolarHBondContact OG1-ND2 2.88Å; N732-R734 WeakPolarHBondContact OD1-CB 3.17Å; N732-R734 PolarHBondContact OD1-N 3.16Å
733	L	65.3	Low	76.2	Confident	96 Å²	96	59.5 Å²	59.5	50%	0.503	33%	0.334	S	S	.	.			trans	-97	4.1	-179.4	-63.7	175.6	0	0	0	113.2	H694	H694-L733 HydrophobicContact CB-CD2 3.79Å; H694-L733 PolarHBondContact CD2-O 3.37Å; H694-L733 VanDerWaalsContact CE1-C 3.5Å; H694-L733 VanDerWaalsContact CE1-CA 3.43Å; H694-L733 WeakPolarHBondContact CE1-CA 3.34Å; H694-L733 PolarHBondContact NE2-O 3.4Å; H694-L733 VanDerWaalsContact NE2-O 3.11Å
734	R	64.6	Low	75.8	Confident	177 Å²	177	65.1 Å²	65.1	67%	0.668	36%	0.361	S	S	*	.			trans	-95.8	123	-177.5	-61.9	-174.4	179.4	-175	0.7	110.3	N732 E736	N732-R734 WeakPolarHBondContact OD1-CB 3.17Å; N732-R734 PolarHBondContact OD1-N 3.16Å; R734-E736 HydrophobicContact CB-CG 3.91Å
735	S	61.3	Low	75.3	Confident	72 Å²	72	65.6 Å²	65.6	50%	0.503	38%	0.379	S	S	.	.			trans	-91.5	109.2	169	-63.7	0	0	0	0	109.4	H694	H694-S735 PolarHBondContact NE2-OG 2.7Å
736	E	66.2	Low	75	Confident	36 Å²	36	64.2 Å²	64.2	17%	0.168	38%	0.379	C	S	.	.			trans	-114.6	26.9	-167.9	-62.1	-169.3	152	0	0	113.8	V721 R734 I738 S739 T740	V721-E736 WeakPolarHBondContact CG1-OE2 3.07Å; V721-E736 HydrophobicContact CG2-CB 4.25Å; V721-E736 HydrophobicContact CG2-CG 4.47Å; V721-E736 WeakPolarHBondContact CG2-OE2 3.46Å; R734-E736 HydrophobicContact CB-CG 3.91Å; E736-I738 VanDerWaalsContact C-N 3.25Å; E736-I738 PolarHBondContact O-N 3.41Å; E736-S739 WeakPolarHBondContact O-CA 3.35Å; E736-S739 WeakPolarHBondContact O-CB 3.44Å; E736-S739 PolarHBondContact O-N 3.46Å; E736-T740 PolarHBondContact O-N 3.18Å; E736-T740 PolarHBondContact O-OG1 3.49Å
737	A	69.2	Low	74.8	Confident	78 Å²	78	65 Å²	65	65%	0.645	39%	0.389	S	S	*	.	H	α-helix	trans	-54.7	-38.2	179.8	0	0	0	0	0	113.6	T740 A741	A737-T740 PolarHBondContact O-N 3.45Å; A737-A741 WeakPolarHBondContact O-CB 3.31Å; A737-A741 PolarHBondContact O-N 3.34Å
738	I	73.6	Confident	74.4	Confident	37 Å²	37	70.1 Å²	70.1	19%	0.19	41%	0.41	C	S	.	.	H	α-helix	trans	-68.4	-37.4	177.2	-60.5	172.2	0	0	0	110.7	E736 A741 N742 T751 A754 L755 K758	E736-I738 VanDerWaalsContact C-N 3.25Å; E736-I738 PolarHBondContact O-N 3.41Å; I738-A741 WeakPolarHBondContact O-CB 3.4Å; I738-A741 PolarHBondContact O-N 2.81Å; I738-N742 PolarHBondContact O-N 2.92Å; I738-T751 HydrophobicContact CG2-CG2 4.48Å; I738-T751 WeakPolarHBondContact CG2-O 3.24Å; I738-A754 HydrophobicContact CD1-CB 4.18Å; I738-A754 HydrophobicContact CG1-CB 4.37Å; I738-L755 HydrophobicContact CD1-CB 4.37Å; I738-L755 HydrophobicContact CD1-CD1 4.21Å; I738-L755 HydrophobicContact CG2-CD1 4.28Å; I738-K758 HydrophobicContact CD1-CB 4.36Å; I738-K758 HydrophobicContact CD1-CD 4.03Å
739	S	71.2	Confident	74.3	Confident	36 Å²	36	76.6 Å²	76.6	25%	0.252	44%	0.435	S	S	.	.	H	α-helix	trans	-67.5	-39.4	175.5	-45.3	0	0	0	0	111.5	E736 N742 A743	E736-S739 WeakPolarHBondContact O-CA 3.35Å; E736-S739 WeakPolarHBondContact O-CB 3.44Å; E736-S739 PolarHBondContact O-N 3.46Å; S739-N742 PolarHBondContact O-N 3.48Å; S739-A743 WeakPolarHBondContact O-CB 3.28Å; S739-A743 PolarHBondContact O-N 2.89Å
740	T	69.8	Low	74.2	Confident	41 Å²	41	75.1 Å²	75.1	25%	0.252	43%	0.426	S	S	.	.	H	α-helix	trans	-64.9	-40.6	173.5	-45.5	0	0	0	0	111.7	E736 A737 A743 I744	E736-T740 PolarHBondContact O-N 3.18Å; E736-T740 PolarHBondContact O-OG1 3.49Å; A737-T740 PolarHBondContact O-N 3.45Å; T740-A743 PolarHBondContact O-N 3.03Å; T740-I744 HydrophobicContact CG2-CD1 4.28Å; T740-I744 PolarHBondContact O-N 3.27Å; T740-I744 VanDerWaalsContact O-N 3.14Å
741	A	73.5	Confident	74.2	Confident	25 Å²	25	74.2 Å²	74.2	21%	0.207	42%	0.415	C	S	.	.	H	α-helix	trans	-59	-46.6	173.9	0	0	0	0	0	111.7	A737 I738 A743 I744 L746 T751	A737-A741 WeakPolarHBondContact O-CB 3.31Å; A737-A741 PolarHBondContact O-N 3.34Å; I738-A741 WeakPolarHBondContact O-CB 3.4Å; I738-A741 PolarHBondContact O-N 2.81Å; A741-A743 VanDerWaalsContact C-N 3.3Å; A741-A743 PolarHBondContact O-N 2.81Å; A741-I744 PolarHBondContact O-N 3.11Å; A741-L746 HydrophobicContact CB-CD1 3.47Å; A741-L746 VanDerWaalsContact CB-CD1 3.47Å; A741-L746 WeakPolarHBondContact O-CB 3.48Å; A741-L746 PolarHBondContact O-N 3.2Å; A741-T751 HydrophobicContact CB-CG2 4.35Å
742	N	73.8	Confident	74.7	Confident	53 Å²	53	76.4 Å²	76.4	28%	0.283	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-40.4	175.5	-160.7	15.6	0	0	0	111.7	I738 S739 I744 G745 T751	I738-N742 PolarHBondContact O-N 2.92Å; S739-N742 PolarHBondContact O-N 3.48Å; N742-I744 VanDerWaalsContact C-N 3.32Å; N742-I744 PolarHBondContact O-N 3.49Å; N742-G745 PolarHBondContact O-N 2.93Å; N742-G745 VanDerWaalsContact O-N 3.08Å; N742-T751 HydrophobicContact CB-CG2 4.03Å
743	A	68.9	Low	75.5	Confident	40 Å²	40	82.5 Å²	82.5	33%	0.331	44%	0.444	S	S	.	.	H	α-helix	trans	-65.6	-29.2	179.7	0	0	0	0	0	114.2	R720 S739 T740 A741 G745	R720-A743 HydrophobicContact CG-CB 4.39Å; S739-A743 WeakPolarHBondContact O-CB 3.28Å; S739-A743 PolarHBondContact O-N 2.89Å; T740-A743 PolarHBondContact O-N 3.03Å; A741-A743 VanDerWaalsContact C-N 3.3Å; A741-A743 PolarHBondContact O-N 2.81Å; A743-G745 PolarHBondContact O-N 3.25Å
744	I	74	Confident	76.3	Confident	141 Å²	141	79.7 Å²	79.7	72%	0.723	44%	0.435	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.8	-1.3	176.6	-65.8	168.2	0	0	0	111.6	T740 A741 N742	T740-I744 HydrophobicContact CG2-CD1 4.28Å; T740-I744 PolarHBondContact O-N 3.27Å; T740-I744 VanDerWaalsContact O-N 3.14Å; A741-I744 PolarHBondContact O-N 3.11Å; N742-I744 VanDerWaalsContact C-N 3.32Å; N742-I744 PolarHBondContact O-N 3.49Å
745	G	77.1	Confident	77.1	Confident	62 Å²	62	75.8 Å²	75.8	64%	0.639	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	22	175.9	0	0	0	0	0	114.4	N742 A743	N742-G745 PolarHBondContact O-N 2.93Å; N742-G745 VanDerWaalsContact O-N 3.08Å; A743-G745 PolarHBondContact O-N 3.25Å
746	L	80.4	Confident	78.1	Confident	83 Å²	83	75.4 Å²	75.4	44%	0.435	42%	0.424	S	S	.	.			trans	-62.8	136.8	167.5	-84.1	159.9	0	0	0	109.9	A741 E748 T751	A741-L746 HydrophobicContact CB-CD1 3.47Å; A741-L746 VanDerWaalsContact CB-CD1 3.47Å; A741-L746 WeakPolarHBondContact O-CB 3.48Å; A741-L746 PolarHBondContact O-N 3.2Å; L746-E748 PolarHBondContact O-N 2.89Å; L746-T751 HydrophobicContact CB-CG2 4.22Å
747	P	84.7	Confident	79	Confident	78 Å²	78	76.8 Å²	76.8	51%	0.506	43%	0.432	S	S	.	.			trans	-52.8	133.6	-178.1	-28	33	0	0	0	113	K749 I750 T751	P747-K749 VanDerWaalsContact C-N 3.25Å; P747-K749 PolarHBondContact O-N 3.4Å; P747-I750 HydrophobicContact CB-CD1 4.28Å; P747-I750 HydrophobicContact CB-CG1 4.32Å; P747-I750 HydrophobicContact CG-CD1 4.15Å; P747-I750 WeakPolarHBondContact O-CA 3.46Å; P747-I750 WeakPolarHBondContact O-CB 3.43Å; P747-I750 PolarHBondContact O-N 3.19Å; P747-T751 PolarHBondContact O-N 3.06Å
748	E	83.5	Confident	79.4	Confident	124 Å²	124	78 Å²	78	58%	0.579	42%	0.423	S	S	*	.	H	α-helix	trans	-56.6	-37.9	-175.5	-166.4	168.7	-151.7	0	0	112.7	L746 I750 T751 E752	L746-E748 PolarHBondContact O-N 2.89Å; E748-I750 PolarHBondContact O-N 3.42Å; E748-I750 VanDerWaalsContact O-N 3.1Å; E748-T751 WeakPolarHBondContact CA-OG1 3.33Å; E748-T751 PolarHBondContact O-N 3.19Å; E748-T751 VanDerWaalsContact O-N 3.08Å; E748-T751 PolarHBondContact O-OG1 3.1Å; E748-E752 HydrophobicContact CG-CG 4.2Å; E748-E752 WeakPolarHBondContact O-CB 3.36Å; E748-E752 WeakPolarHBondContact O-CG 3.37Å; E748-E752 PolarHBondContact O-N 2.97Å
749	K	87.8	Confident	79.5	Confident	179 Å²	179	81 Å²	81	78%	0.778	44%	0.439	S	S	*	.	H	α-helix	trans	-54.2	-33.2	173.6	-67.2	-176.9	179.6	178.7	0	113.4	P747 R753	P747-K749 VanDerWaalsContact C-N 3.25Å; P747-K749 PolarHBondContact O-N 3.4Å; K749-R753 VanDerWaalsContact O-CB 3.23Å; K749-R753 WeakPolarHBondContact O-CB 2.91Å; K749-R753 PolarHBondContact O-N 3.15Å
750	I	86	Confident	79.7	Confident	96 Å²	96	85 Å²	85	49%	0.492	45%	0.453	S	S	.	.	H	α-helix	trans	-78.9	-43.1	178.8	-60.6	178.3	0	0	0	110.3	P747 E748 R753 A754	P747-I750 HydrophobicContact CB-CD1 4.28Å; P747-I750 HydrophobicContact CB-CG1 4.32Å; P747-I750 HydrophobicContact CG-CD1 4.15Å; P747-I750 WeakPolarHBondContact O-CA 3.46Å; P747-I750 WeakPolarHBondContact O-CB 3.43Å; P747-I750 PolarHBondContact O-N 3.19Å; E748-I750 PolarHBondContact O-N 3.42Å; E748-I750 VanDerWaalsContact O-N 3.1Å; I750-R753 PolarHBondContact O-N 3.3Å; I750-A754 VanDerWaalsContact O-CB 3.28Å; I750-A754 WeakPolarHBondContact O-CB 3.46Å; I750-A754 PolarHBondContact O-N 3.35Å
751	T	82.8	Confident	79.8	Confident	9 Å²	9	88.5 Å²	88.5	6%	0.055	47%	0.469	C	S	.	.	H	α-helix	trans	-69.2	-39.6	-178.2	56.9	0	0	0	0	111.3	I738 A741 N742 L746 P747 E748 A754 L755	I738-T751 HydrophobicContact CG2-CG2 4.48Å; I738-T751 WeakPolarHBondContact CG2-O 3.24Å; A741-T751 HydrophobicContact CB-CG2 4.35Å; N742-T751 HydrophobicContact CB-CG2 4.03Å; L746-T751 HydrophobicContact CB-CG2 4.22Å; P747-T751 PolarHBondContact O-N 3.06Å; E748-T751 WeakPolarHBondContact CA-OG1 3.33Å; E748-T751 PolarHBondContact O-N 3.19Å; E748-T751 VanDerWaalsContact O-N 3.08Å; E748-T751 PolarHBondContact O-OG1 3.1Å; T751-A754 PolarHBondContact O-N 3.47Å; T751-L755 WeakPolarHBondContact O-CB 3.23Å; T751-L755 PolarHBondContact O-N 2.72Å
752	E	84.6	Confident	79.5	Confident	119 Å²	119	91.9 Å²	91.9	56%	0.556	49%	0.491	S	S	*	.	H	α-helix	trans	-61.2	-46.8	170.9	-71.9	-177.8	160.9	0	0	111.7	E748 A754 L755 S756	E748-E752 HydrophobicContact CG-CG 4.2Å; E748-E752 WeakPolarHBondContact O-CB 3.36Å; E748-E752 WeakPolarHBondContact O-CG 3.37Å; E748-E752 PolarHBondContact O-N 2.97Å; E752-A754 VanDerWaalsContact C-N 3.31Å; E752-A754 PolarHBondContact O-N 2.91Å; E752-L755 WeakPolarHBondContact O-CB 3.49Å; E752-L755 PolarHBondContact O-N 3.01Å; E752-S756 PolarHBondContact O-N 3.45Å
753	R	86.9	Confident	79.2	Confident	150 Å²	150	94.1 Å²	94.1	57%	0.566	51%	0.507	S	S	*	.	H	α-helix	trans	-62.5	-40.4	176.4	-178.1	57	174.1	171.7	-1.6	111.6	K749 I750 L755 S756 L757	K749-R753 VanDerWaalsContact O-CB 3.23Å; K749-R753 WeakPolarHBondContact O-CB 2.91Å; K749-R753 PolarHBondContact O-N 3.15Å; I750-R753 PolarHBondContact O-N 3.3Å; R753-L755 VanDerWaalsContact C-N 3.31Å; R753-S756 PolarHBondContact O-N 3.04Å; R753-L757 HydrophobicContact CG-CD1 4.05Å; R753-L757 HydrophobicContact CG-CG 4.44Å; R753-L757 WeakPolarHBondContact O-CB 3.42Å; R753-L757 VanDerWaalsContact O-CG 3.28Å; R753-L757 WeakPolarHBondContact O-CG 3.36Å; R753-L757 PolarHBondContact O-N 3.39Å
754	A	82	Confident	78.9	Confident	37 Å²	37	95.4 Å²	95.4	31%	0.306	51%	0.508	S	S	.	.	H	α-helix	trans	-64.2	-37.5	176.2	0	0	0	0	0	111.6	I738 I750 T751 E752 L757 K758	I738-A754 HydrophobicContact CD1-CB 4.18Å; I738-A754 HydrophobicContact CG1-CB 4.37Å; I750-A754 VanDerWaalsContact O-CB 3.28Å; I750-A754 WeakPolarHBondContact O-CB 3.46Å; I750-A754 PolarHBondContact O-N 3.35Å; T751-A754 PolarHBondContact O-N 3.47Å; E752-A754 VanDerWaalsContact C-N 3.31Å; E752-A754 PolarHBondContact O-N 2.91Å; A754-L757 PolarHBondContact O-N 3.32Å; A754-K758 WeakPolarHBondContact O-CB 3.48Å; A754-K758 PolarHBondContact O-N 2.86Å
755	L	82.4	Confident	78.1	Confident	96 Å²	96	91.7 Å²	91.7	50%	0.503	49%	0.493	S	S	.	.	H	α-helix	trans	-64.1	-49	175.7	-156.6	105.1	0	0	0	110.7	I738 T751 E752 R753 L757 K758 D759	I738-L755 HydrophobicContact CD1-CB 4.37Å; I738-L755 HydrophobicContact CD1-CD1 4.21Å; I738-L755 HydrophobicContact CG2-CD1 4.28Å; T751-L755 WeakPolarHBondContact O-CB 3.23Å; T751-L755 PolarHBondContact O-N 2.72Å; E752-L755 WeakPolarHBondContact O-CB 3.49Å; E752-L755 PolarHBondContact O-N 3.01Å; R753-L755 VanDerWaalsContact C-N 3.31Å; L755-L757 VanDerWaalsContact C-N 3.32Å; L755-L757 PolarHBondContact O-N 3.22Å; L755-K758 WeakPolarHBondContact O-CB 3.07Å; L755-K758 PolarHBondContact O-N 3.36Å; L755-D759 PolarHBondContact O-N 3.18Å
756	S	82.3	Confident	77.1	Confident	64 Å²	64	95.1 Å²	95.1	45%	0.448	50%	0.501	S	S	.	.	H	α-helix	trans	-58.5	-42.1	174.5	172.2	0	0	0	0	112.5	E752 R753 F760	E752-S756 PolarHBondContact O-N 3.45Å; R753-S756 PolarHBondContact O-N 3.04Å; S756-F760 PolarHBondContact O-N 3.03Å
757	L	84.1	Confident	76	Confident	64 Å²	64	94.6 Å²	94.6	34%	0.335	51%	0.505	S	S	.	.	H	α-helix	trans	-71.1	-32.5	177.9	-74.8	173.7	0	0	0	112.9	R753 A754 L755 D759 F760 L761	R753-L757 HydrophobicContact CG-CD1 4.05Å; R753-L757 HydrophobicContact CG-CG 4.44Å; R753-L757 WeakPolarHBondContact O-CB 3.42Å; R753-L757 VanDerWaalsContact O-CG 3.28Å; R753-L757 WeakPolarHBondContact O-CG 3.36Å; R753-L757 PolarHBondContact O-N 3.39Å; A754-L757 PolarHBondContact O-N 3.32Å; L755-L757 VanDerWaalsContact C-N 3.32Å; L755-L757 PolarHBondContact O-N 3.22Å; L757-D759 VanDerWaalsContact C-N 3.32Å; L757-D759 PolarHBondContact O-N 3.16Å; L757-F760 PolarHBondContact O-N 3.39Å; L757-L761 VanDerWaalsContact O-CB 3.31Å; L757-L761 WeakPolarHBondContact O-CB 3.47Å; L757-L761 WeakPolarHBondContact O-CG 3.35Å; L757-L761 PolarHBondContact O-N 3.36Å
758	K	78.1	Confident	74.4	Confident	104 Å²	104	99.6 Å²	99.6	45%	0.452	51%	0.513	S	S	.	.	H	α-helix	trans	-59.5	-46.5	177.5	176.9	-172.8	171.7	-171.6	0	110.6	I738 A754 L755 F760 L761 S762	I738-K758 HydrophobicContact CD1-CB 4.36Å; I738-K758 HydrophobicContact CD1-CD 4.03Å; A754-K758 WeakPolarHBondContact O-CB 3.48Å; A754-K758 PolarHBondContact O-N 2.86Å; L755-K758 WeakPolarHBondContact O-CB 3.07Å; L755-K758 PolarHBondContact O-N 3.36Å; K758-F760 VanDerWaalsContact C-N 3.34Å; K758-L761 PolarHBondContact O-N 3.24Å; K758-S762 PolarHBondContact O-N 3.47Å
759	D	74.9	Confident	73	Confident	99 Å²	99	101.4 Å²	101.4	53%	0.529	52%	0.524	S	S	.	.	H	α-helix	trans	-63.9	-43.6	177.9	-64.6	-21.7	0	0	0	110.2	L755 L757 S762	L755-D759 PolarHBondContact O-N 3.18Å; L757-D759 VanDerWaalsContact C-N 3.32Å; L757-D759 PolarHBondContact O-N 3.16Å; D759-S762 PolarHBondContact O-N 3.06Å; D759-S762 PolarHBondContact O-OG 3.42Å
760	F	76.4	Confident	71.3	Confident	121 Å²	121	101.2 Å²	101.2	53%	0.531	52%	0.523	S	S	.	.	H	α-helix	trans	-60	-52	174.7	-175.1	-107.9	0	0	0	112.5	S756 L757 K758 S762 T763 I764	S756-F760 PolarHBondContact O-N 3.03Å; L757-F760 PolarHBondContact O-N 3.39Å; K758-F760 VanDerWaalsContact C-N 3.34Å; F760-S762 VanDerWaalsContact C-N 3.26Å; F760-S762 PolarHBondContact O-N 3.11Å; F760-T763 PolarHBondContact O-N 3.43Å; F760-T763 PolarHBondContact O-OG1 3.21Å; F760-I764 HydrophobicContact CD1-CD1 3.62Å; F760-I764 HydrophobicContact CD1-CG1 4.09Å; F760-I764 HydrophobicContact CE1-CD1 3.31Å; F760-I764 HydrophobicContact CE1-CG1 3.85Å; F760-I764 HydrophobicContact CZ-CD1 4.07Å; F760-I764 HydrophobicContact CZ-CG1 4.2Å; F760-I764 WeakPolarHBondContact O-CG1 3.46Å; F760-I764 PolarHBondContact O-N 3.16Å
761	L	72.5	Confident	69.6	Low	115 Å²	115	102.4 Å²	102.4	60%	0.602	53%	0.53	S	S	*	.	H	α-helix	trans	-60.9	-32.6	-178.2	-73.4	171.4	0	0	0	112.7	L757 K758 T763 I764	L757-L761 VanDerWaalsContact O-CB 3.31Å; L757-L761 WeakPolarHBondContact O-CB 3.47Å; L757-L761 WeakPolarHBondContact O-CG 3.35Å; L757-L761 PolarHBondContact O-N 3.36Å; K758-L761 PolarHBondContact O-N 3.24Å; L761-T763 PolarHBondContact O-N 3.18Å; L761-I764 HydrophobicContact CD2-CD1 3.89Å; L761-I764 PolarHBondContact O-N 3.21Å
762	S	67.2	Low	68.1	Low	96 Å²	96	111.9 Å²	111.9	67%	0.671	57%	0.565	S	S	*	*	H	α-helix	trans	-64.8	-22	176.1	77.2	0	0	0	0	113.4	K758 D759 F760	K758-S762 PolarHBondContact O-N 3.47Å; D759-S762 PolarHBondContact O-N 3.06Å; D759-S762 PolarHBondContact O-OG 3.42Å; F760-S762 VanDerWaalsContact C-N 3.26Å; F760-S762 PolarHBondContact O-N 3.11Å
763	T	66.8	Low	66.4	Low	100 Å²	100	113.6 Å²	113.6	61%	0.613	58%	0.578	S	S	*	*	H	α-helix	trans	-100	-13	-178.8	63.5	0	0	0	0	114.3	F760 L761 P765	F760-T763 PolarHBondContact O-N 3.43Å; F760-T763 PolarHBondContact O-OG1 3.21Å; L761-T763 PolarHBondContact O-N 3.18Å; T763-P765 WeakPolarHBondContact O-CD 3.5Å
764	I	62.9	Low	64.4	Low	67 Å²	67	115.7 Å²	115.7	34%	0.344	59%	0.591	S	S	.	*			trans	-74.2	113.1	-178.8	-55.6	175.8	0	0	0	109.4	F760 L761 T766	F760-I764 HydrophobicContact CD1-CD1 3.62Å; F760-I764 HydrophobicContact CD1-CG1 4.09Å; F760-I764 HydrophobicContact CE1-CD1 3.31Å; F760-I764 HydrophobicContact CE1-CG1 3.85Å; F760-I764 HydrophobicContact CZ-CD1 4.07Å; F760-I764 HydrophobicContact CZ-CG1 4.2Å; F760-I764 WeakPolarHBondContact O-CG1 3.46Å; F760-I764 PolarHBondContact O-N 3.16Å; L761-I764 HydrophobicContact CD2-CD1 3.89Å; L761-I764 PolarHBondContact O-N 3.21Å; I764-T766 PolarHBondContact O-N 3.3Å
765	P	57.7	Low	62.3	Low	63 Å²	63	127.5 Å²	127.5	41%	0.409	63%	0.628	S	S	.	*			trans	-70.5	130.4	168	30.1	-32	0	0	0	108.9	T763 S767 R768	T763-P765 WeakPolarHBondContact O-CD 3.5Å; P765-S767 PolarHBondContact O-N 3.27Å; P765-R768 HydrophobicContact CG-CG 4.43Å; P765-R768 PolarHBondContact O-N 3.49Å; P765-R768 VanDerWaalsContact O-N 3.15Å
766	T	56.1	Low	61.3	Low	133 Å²	133	129.1 Å²	129.1	82%	0.816	64%	0.635	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57	-14.5	175.4	42.7	0	0	0	0	113.2	I764 R768	I764-T766 PolarHBondContact O-N 3.3Å; T766-R768 VanDerWaalsContact C-N 3.28Å; T766-R768 PolarHBondContact O-N 3.34Å
767	S	55.5	Low	60.2	Low	73 Å²	73	132.5 Å²	132.5	51%	0.51	64%	0.644	S	S	.	*	H	α-helix	trans	-61.9	-28.6	174.7	61.1	0	0	0	0	113.9	P765 M769 K770	P765-S767 PolarHBondContact O-N 3.27Å; S767-M769 VanDerWaalsContact C-N 3.29Å; S767-M769 PolarHBondContact O-N 2.93Å; S767-K770 PolarHBondContact O-N 3.48Å
768	R	52.3	Low	58.9	Low	182 Å²	182	136.3 Å²	136.3	69%	0.687	66%	0.662	S	S	*	*	H	α-helix	trans	-66.2	-26.9	-177.1	-79.5	-174.2	176.2	174	0.4	113.9	P765 T766	P765-R768 HydrophobicContact CG-CG 4.43Å; P765-R768 PolarHBondContact O-N 3.49Å; P765-R768 VanDerWaalsContact O-N 3.15Å; T766-R768 VanDerWaalsContact C-N 3.28Å; T766-R768 PolarHBondContact O-N 3.34Å
769	M	53.9	Low	57.8	Low	163 Å²	163	138.2 Å²	138.2	80%	0.803	67%	0.674	S	S	*	*	H	α-helix	trans	-75.7	-31.6	178.9	-79.5	-173.7	160.5	0	0	113.1	S767 N771 R772	S767-M769 VanDerWaalsContact C-N 3.29Å; S767-M769 PolarHBondContact O-N 2.93Å; M769-N771 PolarHBondContact O-N 3.3Å; M769-N771 VanDerWaalsContact O-N 3.15Å; M769-R772 PolarHBondContact O-N 3.33Å
770	K	52.8	Low	56.7	Low	174 Å²	174	140.7 Å²	140.7	76%	0.757	68%	0.683	S	S	*	*	H	α-helix	trans	-63.5	-22.8	-179.3	-77	-172.6	175.5	-178.3	0	113.5	S767	S767-K770 PolarHBondContact O-N 3.48Å
771	N	50.4	Low	55.4	Low	121 Å²	121	142 Å²	142	65%	0.647	69%	0.693	S	S	*	*	T	Hydrogen-bonded Turn	trans	-87.2	-9.4	-178.4	-76.9	-4.5	0	0	0	114.7	M769	M769-N771 PolarHBondContact O-N 3.3Å; M769-N771 VanDerWaalsContact O-N 3.15Å
772	R	49.8	Very low	54.2	Low	208 Å²	208	143.9 Å²	143.9	79%	0.785	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.7	-22.8	-180	-83.6	-170.8	174.6	-175.1	-1.8	114.7	M769 K774	M769-R772 PolarHBondContact O-N 3.33Å; R772-K774 VanDerWaalsContact C-N 3.3Å
773	N	49.2	Very low	53.1	Low	156 Å²	156	147.6 Å²	147.6	83%	0.834	70%	0.702	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	5.7	175	-71.9	2.8	0	0	0	113.7
774	K	45.5	Very low	52	Low	193 Å²	193	151.6 Å²	151.6	84%	0.839	71%	0.709	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.6	3	173	-81.9	-168.6	174.4	-172.8	0	113.3	R772	R772-K774 VanDerWaalsContact C-N 3.3Å
775	R	38.1	Very low	51	Low	286 Å²	286	159.3 Å²	159.3	100%	1.079	74%	0.742	S	S	*	*			trans	-107.7	0	164.6	-76	-174.3	175.6	-172.4	-2.2	107.4

Retrieved 775 of 775 residues in 670.2 ms (Link to these results)

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