A0A3Q0KK25_SCHMA Loading...

NADH dehydrogenase [ubiquinone] 1 alpha subcomplex subunit 9, mitochondrial

AlphaFold DB , UniProt , Accession A0A3Q0KK25, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 393 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.9	Very low	36.6	Very low	239 Å²	239	164.1 Å²	164.1	100%	1.177	83%	0.834	S	S	*	*				0	123.7	0	-75.9	171.9	163.1	0	0	108.3
2	S	38.4	Very low	36.2	Very low	111 Å²	111	156.2 Å²	156.2	78%	0.776	82%	0.823	S	S	*	*			trans	58.1	136	172.2	-179.8	0	0	0	0	116.8
3	K	39.1	Very low	35.9	Very low	193 Å²	193	161 Å²	161	84%	0.839	83%	0.834	S	S	*	*			cis	-167.7	152.2	-6.5	-102.5	175.6	-171.1	179.5	0	105.2
4	V	39.6	Very low	35.5	Very low	125 Å²	125	160 Å²	160	76%	0.758	83%	0.831	S	S	*	*			cis	-157.4	176.5	-12.5	89.9	0	0	0	0	110.5
5	F	36.8	Very low	35.6	Very low	197 Å²	197	156.3 Å²	156.3	86%	0.864	82%	0.824	S	S	*	*			trans	-42.9	168.5	164	-75.7	-120.1	0	0	0	116.3
6	G	36.3	Very low	35.4	Very low	64 Å²	64	161.3 Å²	161.3	66%	0.66	83%	0.83	S	S	*	*			cis	159.4	142.4	-3	0	0	0	0	0	113.1
7	F	33	Very low	35.4	Very low	184 Å²	184	156.1 Å²	156.1	81%	0.807	83%	0.826	S	S	*	*			trans	46.8	121.7	135.4	-113.2	-93.3	0	0	0	122.5
8	F	36.5	Very low	35.2	Very low	182 Å²	182	157.9 Å²	157.9	80%	0.798	84%	0.835	S	S	*	*				164.9	162.7	122.5	-109.5	-107	0	0	0	110.5
9	K	36	Very low	35.2	Very low	159 Å²	159	153.2 Å²	153.2	69%	0.691	83%	0.828	S	S	*	*				-176.5	116.4	-52.5	-172	-179.4	-175.9	-177.6	0	107.1
10	K	32	Very low	35.3	Very low	198 Å²	198	153.2 Å²	153.2	86%	0.861	83%	0.826	S	S	*	*			trans	20.8	120.3	162.3	-71.2	-175.6	172.4	-176.9	0	121.5
11	T	38.3	Very low	35.1	Very low	153 Å²	153	156.1 Å²	156.1	94%	0.939	83%	0.825	S	S	*	*			trans	-150.3	160.7	134.9	30.9	0	0	0	0	109.2
12	G	31.2	Very low	34.8	Very low	69 Å²	69	153.6 Å²	153.6	71%	0.711	81%	0.808	S	S	*	*			cis	175.2	-3.5	-10.8	0	0	0	0	0	120
13	F	32.9	Very low	34.5	Very low	219 Å²	219	156.7 Å²	156.7	96%	0.961	81%	0.808	S	S	*	*			trans	-140	155.6	-170.2	-119.7	-93.9	0	0	0	115.5
14	N	30.3	Very low	34.1	Very low	147 Å²	147	153.7 Å²	153.7	79%	0.786	81%	0.806	S	S	*	*			trans	-128.9	121.9	-162.6	-163.4	21.9	0	0	0	111.1
15	S	36.7	Very low	33.9	Very low	105 Å²	105	153.4 Å²	153.4	73%	0.734	81%	0.805	S	S	*	*			trans	-166.9	115.5	167.2	57.2	0	0	0	0	113.3
16	Y	33.1	Very low	33.6	Very low	235 Å²	235	150.9 Å²	150.9	92%	0.922	81%	0.805	S	S	*	*			trans	-3.2	124.1	160.8	-52.7	-88.2	0	0	0	119.8
17	G	35.1	Very low	33.6	Very low	73 Å²	73	152.7 Å²	152.7	75%	0.753	81%	0.808	S	S	*	*			trans	-177.2	133.8	163.6	0	0	0	0	0	111.4	G19	G17-G19 PolarHBondContact O-N 3.2Å
18	L	32.3	Very low	33.5	Very low	189 Å²	189	147.9 Å²	147.9	99%	0.99	81%	0.81	S	S	*	*			trans	-61.4	116.8	179.8	-90.2	70.3	0	0	0	110.8
19	G	33.7	Very low	33.2	Very low	68 Å²	68	143.6 Å²	143.6	70%	0.701	80%	0.802	S	S	*	*			trans	-119.4	107.6	177.6	0	0	0	0	0	112.3	G17 R21	G17-G19 PolarHBondContact O-N 3.2Å; G19-R21 PolarHBondContact O-N 3.26Å
20	I	38.8	Very low	33.3	Very low	154 Å²	154	143.9 Å²	143.9	79%	0.79	81%	0.81	S	S	*	*			trans	-64.5	117	169.8	-64.4	170	0	0	0	108.2	F22	I20-F22 HydrophobicContact CG2-CD2 4.14Å; I20-F22 HydrophobicContact CG2-CE2 4.03Å; I20-F22 PolarHBondContact O-N 3.21Å
21	R	30.1	Very low	33.6	Very low	215 Å²	215	141.1 Å²	141.1	81%	0.811	81%	0.809	S	S	*	*			trans	-78.3	100.5	176.3	-78	-174.5	173.5	-180	-1.7	110.8	G19	G19-R21 PolarHBondContact O-N 3.26Å
22	F	31	Very low	33.9	Very low	186 Å²	186	141.3 Å²	141.3	82%	0.816	80%	0.8	S	S	*	*			trans	-76.6	119.5	155.8	-83.2	-89.3	0	0	0	109.3	I20	I20-F22 HydrophobicContact CG2-CD2 4.14Å; I20-F22 HydrophobicContact CG2-CE2 4.03Å; I20-F22 PolarHBondContact O-N 3.21Å
23	F	32.4	Very low	35.1	Very low	175 Å²	175	145.7 Å²	145.7	77%	0.768	80%	0.802	S	S	*	*			trans	-83.8	114.5	167.5	-101.6	-92.4	0	0	0	109
24	T	30.5	Very low	36.1	Very low	130 Å²	130	140.4 Å²	140.4	80%	0.798	79%	0.79	S	S	*	*			trans	-93.1	99.9	168.7	35.7	0	0	0	0	110	T26	T24-T26 PolarHBondContact O-N 3.46Å
25	T	36.1	Very low	37.6	Very low	120 Å²	120	139.5 Å²	139.5	74%	0.736	78%	0.783	S	S	*	*			trans	-81.6	109.2	167.6	42.3	0	0	0	0	110.1	S27	T25-S27 PolarHBondContact O-N 3.24Å
26	T	30.5	Very low	39.2	Very low	144 Å²	144	138 Å²	138	88%	0.883	77%	0.77	S	S	*	*			trans	-77.5	98.6	171.3	50.1	0	0	0	0	110.5	T24	T24-T26 PolarHBondContact O-N 3.46Å
27	S	35.1	Very low	40.8	Very low	101 Å²	101	132.6 Å²	132.6	71%	0.706	76%	0.756	S	S	*	*			trans	-123.5	130	165.4	49	0	0	0	0	108.8	T25 C29	T25-S27 PolarHBondContact O-N 3.24Å; S27-C29 PolarHBondContact O-N 3.15Å; S27-C29 VanDerWaalsContact O-N 3.15Å
28	G	32	Very low	42.4	Very low	84 Å²	84	132.5 Å²	132.5	87%	0.866	74%	0.744	S	S	*	*			trans	-59.1	115.8	-170.8	0	0	0	0	0	112.6	L30	G28-L30 PolarHBondContact O-N 3.22Å
29	C	28.7	Very low	44.4	Very low	92 Å²	92	128.1 Å²	128.1	62%	0.622	72%	0.717	S	S	*	*			trans	-74	106.1	176.7	-172.2	0	0	0	0	109.4	S27	S27-C29 PolarHBondContact O-N 3.15Å; S27-C29 VanDerWaalsContact O-N 3.15Å
30	L	38.4	Very low	46.6	Very low	164 Å²	164	128.8 Å²	128.8	86%	0.859	70%	0.704	S	S	*	*			trans	-62.9	128.6	152.6	-71.9	173	0	0	0	106.3	G28 E32	G28-L30 PolarHBondContact O-N 3.22Å; L30-E32 PolarHBondContact O-N 2.92Å
31	V	37.8	Very low	48.8	Very low	140 Å²	140	127.9 Å²	127.9	85%	0.848	69%	0.694	S	S	*	*			trans	-42.9	106.9	-171.9	-180	0	0	0	0	110.8	E33	V31-E33 PolarHBondContact O-N 3.04Å
32	E	46.4	Very low	51.3	Low	158 Å²	158	124.1 Å²	124.1	74%	0.738	68%	0.68	S	S	*	*			trans	-62.9	109.3	179.8	-77.8	176.7	163.1	0	0	109.2	L30	L30-E32 PolarHBondContact O-N 2.92Å
33	E	54.9	Low	53.8	Low	161 Å²	161	118.1 Å²	118.1	75%	0.752	67%	0.67	S	S	*	*			trans	-55.1	136.2	159.6	-68.6	-169.2	165.4	0	0	108	V31 I35	V31-E33 PolarHBondContact O-N 3.04Å; E33-I35 PolarHBondContact O-N 3.18Å
34	P	54.3	Low	56.4	Low	108 Å²	108	116.7 Å²	116.7	70%	0.701	68%	0.676	S	S	*	*			trans	-57.1	128.1	-178.2	24.2	-33.9	0	0	0	109.1	V36	P34-V36 VanDerWaalsContact C-N 3.31Å; P34-V36 WeakPolarHBondContact O-CG2 3.18Å; P34-V36 PolarHBondContact O-N 2.71Å
35	I	62.4	Low	58.9	Low	128 Å²	128	111.8 Å²	111.8	66%	0.656	65%	0.652	S	S	*	*			trans	-59.8	93.2	-176	-56.9	173.5	0	0	0	109.4	E33 L37 L40	E33-I35 PolarHBondContact O-N 3.18Å; I35-L37 PolarHBondContact O-N 3.01Å; I35-L40 HydrophobicContact CG2-CD1 3.98Å; I35-L40 HydrophobicContact CG2-CD2 4.16Å; I35-L40 HydrophobicContact CG2-CG 4.29Å
36	V	69.9	Low	61.4	Low	74 Å²	74	107.6 Å²	107.6	45%	0.448	63%	0.632	S	S	.	*			trans	-73.6	104.5	-178.7	-165	0	0	0	0	107	P34 S38 K39	P34-V36 VanDerWaalsContact C-N 3.31Å; P34-V36 WeakPolarHBondContact O-CG2 3.18Å; P34-V36 PolarHBondContact O-N 2.71Å; V36-S38 VanDerWaalsContact CG1-OG 3.25Å; V36-S38 WeakPolarHBondContact CG1-OG 3.47Å; V36-S38 PolarHBondContact O-N 2.92Å; V36-K39 HydrophobicContact CB-CG 4.38Å; V36-K39 PolarHBondContact O-N 2.78Å
37	L	66	Low	64.3	Low	121 Å²	121	106 Å²	106	63%	0.634	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.3	-23.6	-178.1	-68	174.6	0	0	0	113.1	I35 K39 L40 R42	I35-L37 PolarHBondContact O-N 3.01Å; L37-K39 VanDerWaalsContact C-N 3.35Å; L37-L40 HydrophobicContact CD2-CD1 3.89Å; L37-R42 VanDerWaalsContact C-NH2 3.34Å; L37-R42 PolarHBondContact O-NH2 2.83Å
38	S	69.1	Low	66.9	Low	71 Å²	71	105 Å²	105	50%	0.497	61%	0.608	S	S	.	*	T	Hydrogen-bonded Turn	trans	-78.7	-6.3	175.6	68.2	0	0	0	0	115.3	V36 F50	V36-S38 VanDerWaalsContact CG1-OG 3.25Å; V36-S38 WeakPolarHBondContact CG1-OG 3.47Å; V36-S38 PolarHBondContact O-N 2.92Å; S38-F50 VanDerWaalsContact O-CE1 3.23Å; S38-F50 WeakPolarHBondContact O-CE1 3.24Å
39	K	74.1	Confident	69.7	Low	97 Å²	97	101.4 Å²	101.4	42%	0.422	57%	0.569	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.4	-8.1	170.4	-65.7	-159.8	179.9	-144.5	0	113.3	V36 L37 G52 D123	V36-K39 HydrophobicContact CB-CG 4.38Å; V36-K39 PolarHBondContact O-N 2.78Å; L37-K39 VanDerWaalsContact C-N 3.35Å; K39-G52 VanDerWaalsContact O-CA 3.24Å; K39-G52 WeakPolarHBondContact O-CA 3.25Å; K39-D123 WeakPolarHBondContact CE-OD1 3.3Å; K39-D123 IonicContact NZ-OD1 2.69Å; K39-D123 PolarHBondContact NZ-OD1 3.36Å
40	L	80.1	Confident	72.6	Confident	81 Å²	81	98.8 Å²	98.8	42%	0.424	55%	0.547	S	S	.	.	S	Bend	trans	-75.4	137.8	177.4	-63.6	-179.6	0	0	0	111.2	I35 L37 R42	I35-L40 HydrophobicContact CG2-CD1 3.98Å; I35-L40 HydrophobicContact CG2-CD2 4.16Å; I35-L40 HydrophobicContact CG2-CG 4.29Å; L37-L40 HydrophobicContact CD2-CD1 3.89Å; L40-R42 PolarHBondContact O-N 3.45Å
41	K	84.5	Confident	74.9	Confident	136 Å²	136	92 Å²	92	59%	0.591	51%	0.512	S	S	*	.			trans	-60.5	130	169.5	178.2	175.9	177.8	-177.7	0	110.3	F50	K41-F50 CarbonylContact C-O 3.6Å; K41-F50 WeakPolarHBondContact CA-O 3.33Å
42	R	82.9	Confident	77.3	Confident	135 Å²	135	85.6 Å²	85.6	51%	0.509	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-122.7	127.9	179	-60.5	174.9	-170.8	173.1	-2.2	110	L37 L40 S49 F50	L37-R42 VanDerWaalsContact C-NH2 3.34Å; L37-R42 PolarHBondContact O-NH2 2.83Å; L40-R42 PolarHBondContact O-N 3.45Å; R42-S49 WeakPolarHBondContact O-CB 3.24Å; R42-F50 HydrophobicContact CB-CB 4.48Å; R42-F50 PolarHBondContact N-O 2.74Å; R42-F50 PolarHBondContact O-N 3.12Å
43	G	84.6	Confident	79.4	Confident	60 Å²	60	79.6 Å²	79.6	62%	0.619	45%	0.447	S	S	*	.	S	Bend	trans	86.9	176.2	-177.9	0	0	0	0	0	113.9	G45	G43-G45 PolarHBondContact O-N 2.95Å; G43-G45 VanDerWaalsContact O-N 3.12Å
44	T	85.6	Confident	81.3	Confident	145 Å²	145	72.7 Å²	72.7	89%	0.89	42%	0.416	S	S	*	.	S	Bend	trans	-70.5	-5	-170.8	48.8	0	0	0	0	115.1
45	G	84	Confident	83.3	Confident	28 Å²	28	67.5 Å²	67.5	29%	0.289	38%	0.383	S	S	.	.	S	Bend	trans	86.6	154.8	-155.1	0	0	0	0	0	111	G43 S49	G43-G45 PolarHBondContact O-N 2.95Å; G43-G45 VanDerWaalsContact O-N 3.12Å; G45-S49 VanDerWaalsContact C-OG 3.27Å; G45-S49 VanDerWaalsContact CA-OG 3.24Å; G45-S49 WeakPolarHBondContact CA-OG 3.36Å
46	G	88.1	Confident	85	Confident	31 Å²	31	61.4 Å²	61.4	32%	0.32	35%	0.351	S	S	.	.	S	Bend	trans	114.6	175.3	-174.4	0	0	0	0	0	113.2	A48 S49 K74 G76	G46-A48 VanDerWaalsContact C-N 3.32Å; G46-A48 PolarHBondContact O-N 3.46Å; G46-S49 PolarHBondContact N-OG 3.48Å; G46-S49 VanDerWaalsContact N-OG 3.15Å; G46-S49 WeakPolarHBondContact O-CB 3.48Å; G46-S49 PolarHBondContact O-N 3.4Å; G46-S49 PolarHBondContact O-OG 2.82Å; G46-K74 CarbonylContact C-O 3.43Å; G46-K74 WeakPolarHBondContact CA-O 3.09Å; G46-G76 WeakPolarHBondContact O-CA 3.48Å; G46-G76 PolarHBondContact O-N 3.43Å
47	R	90.8	Very high	86.3	Confident	112 Å²	112	57.9 Å²	57.9	42%	0.423	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-39.6	-172.4	179.9	-174.2	169.1	113.6	-9.9	115.1	A73 K74 V95 I96 G97 D98	R47-A73 WeakPolarHBondContact CA-O 3.4Å; R47-K74 PolarHBondContact N-O 2.94Å; R47-V95 PolarHBondContact NH1-O 2.95Å; R47-V95 PolarHBondContact NH2-O 3.42Å; R47-I96 VanDerWaalsContact NH1-C 3.31Å; R47-I96 PolarHBondContact NH1-O 3.32Å; R47-G97 PolarHBondContact NH2-O 3.41Å; R47-D98 HydrophobicContact CG-CB 4.23Å
48	A	89.9	Confident	87.8	Confident	80 Å²	80	52.1 Å²	52.1	66%	0.661	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	1.7	-179.2	0	0	0	0	0	113.3	G46 D98	G46-A48 VanDerWaalsContact C-N 3.32Å; G46-A48 PolarHBondContact O-N 3.46Å; A48-D98 WeakPolarHBondContact CA-OD2 3.49Å; A48-D98 WeakPolarHBondContact CB-OD2 3.36Å
49	S	91	Very high	89	Confident	8 Å²	8	49.6 Å²	49.6	6%	0.056	29%	0.285	C	S	.	.	S	Bend	trans	-83.9	170.1	172.9	77	0	0	0	0	110.7	R42 G45 G46 T75 G76 Q101	R42-S49 WeakPolarHBondContact O-CB 3.24Å; G45-S49 VanDerWaalsContact C-OG 3.27Å; G45-S49 VanDerWaalsContact CA-OG 3.24Å; G45-S49 WeakPolarHBondContact CA-OG 3.36Å; G46-S49 PolarHBondContact N-OG 3.48Å; G46-S49 VanDerWaalsContact N-OG 3.15Å; G46-S49 WeakPolarHBondContact O-CB 3.48Å; G46-S49 PolarHBondContact O-N 3.4Å; G46-S49 PolarHBondContact O-OG 2.82Å; S49-T75 PolarHBondContact OG-O 3.36Å; S49-G76 WeakPolarHBondContact O-CA 3.42Å; S49-Q101 PolarHBondContact O-NE2 3.25Å
50	F	89.4	Confident	89.9	Confident	36 Å²	36	45 Å²	45	16%	0.158	27%	0.265	C	S	.	.	B	Isolated β-bridge	trans	-125.5	124.5	169.1	175.2	-109.4	0	0	0	109.1	S38 K41 R42 G76 Q78	S38-F50 VanDerWaalsContact O-CE1 3.23Å; S38-F50 WeakPolarHBondContact O-CE1 3.24Å; K41-F50 CarbonylContact C-O 3.6Å; K41-F50 WeakPolarHBondContact CA-O 3.33Å; R42-F50 HydrophobicContact CB-CB 4.48Å; R42-F50 PolarHBondContact N-O 2.74Å; R42-F50 PolarHBondContact O-N 3.12Å; F50-G76 VanDerWaalsContact CA-O 3.28Å; F50-G76 WeakPolarHBondContact CA-O 3.34Å; F50-Q78 HydrophobicContact CE2-CB 4.01Å
51	N	87.3	Confident	90.6	Very high	21 Å²	21	42.9 Å²	42.9	11%	0.112	26%	0.255	C	S	.	.			trans	-86.3	-8.8	-173.4	71.2	-10.3	0	0	0	115.1	I53 T75 G76 T77	N51-I53 PolarHBondContact OD1-N 3.22Å; N51-I53 PolarHBondContact OD1-O 2.96Å; N51-T75 HydrophobicContact CB-CG2 4.41Å; N51-G76 PolarHBondContact N-O 3.09Å; N51-T77 PolarHBondContact ND2-OG1 3.22Å; N51-T77 WeakPolarHBondContact OD1-CA 3.47Å
52	G	87.5	Confident	90.9	Very high	7 Å²	7	37.9 Å²	37.9	7%	0.072	24%	0.243	C	C	.	.	S	Bend	trans	96.5	-5.3	-175.5	0	0	0	0	0	115.1	K39	K39-G52 VanDerWaalsContact O-CA 3.24Å; K39-G52 WeakPolarHBondContact O-CA 3.25Å
53	I	91.7	Very high	91.4	Very high	31 Å²	31	34.3 Å²	34.3	16%	0.159	23%	0.23	C	C	.	.			trans	-114.9	130.4	-170.9	-51.2	177.8	0	0	0	110.2	N51 V55 T77 Q78 D123 V124	N51-I53 PolarHBondContact OD1-N 3.22Å; N51-I53 PolarHBondContact OD1-O 2.96Å; I53-V55 HydrophobicContact CG2-CG2 3.83Å; I53-T77 HydrophobicContact CB-CG2 4.28Å; I53-T77 HydrophobicContact CG2-CG2 4.47Å; I53-T77 VanDerWaalsContact O-CG2 3.31Å; I53-T77 WeakPolarHBondContact O-CG2 3.32Å; I53-Q78 PolarHBondContact O-N 3.18Å; I53-D123 HydrophobicContact CG2-CB 4.4Å; I53-V124 HydrophobicContact CG2-CG2 3.84Å
54	T	94.5	Very high	91.9	Very high	16 Å²	16	32.3 Å²	32.3	10%	0.098	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	120.6	170.8	-46.4	0	0	0	0	110.3	Q78 I80 Y121 D123 V124	T54-Q78 HydrophobicContact CG2-CB 4.4Å; T54-Q78 HydrophobicContact CG2-CG 4.38Å; T54-I80 HydrophobicContact CG2-CD1 3.79Å; T54-I80 HydrophobicContact CG2-CG1 4.11Å; T54-Y121 WeakPolarHBondContact CB-O 3.4Å; T54-Y121 VanDerWaalsContact CG2-O 3.32Å; T54-Y121 WeakPolarHBondContact CG2-O 3.43Å; T54-D123 PolarHBondContact N-OD2 2.83Å; T54-D123 PolarHBondContact O-N 2.81Å; T54-V124 PolarHBondContact O-N 2.95Å; T54-V124 VanDerWaalsContact O-N 3.14Å
55	V	96.9	Very high	92.4	Very high	0 Å²	0	25.5 Å²	25.5	0%	0	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	122.8	-174.5	-173.9	0	0	0	0	111.1	I53 V57 L72 T77 Q78 I79 I80 V124 I126 L264	I53-V55 HydrophobicContact CG2-CG2 3.83Å; V55-V57 HydrophobicContact CG1-CG2 3.84Å; V55-L72 HydrophobicContact CB-CD1 4.5Å; V55-L72 HydrophobicContact CG1-CD1 4.14Å; V55-L72 HydrophobicContact CG2-CD2 4.39Å; V55-T77 HydrophobicContact CB-CG2 4.26Å; V55-T77 HydrophobicContact CG2-CG2 3.4Å; V55-T77 VanDerWaalsContact CG2-CG2 3.4Å; V55-Q78 PolarHBondContact N-O 3.16Å; V55-I79 WeakPolarHBondContact O-CA 3.42Å; V55-I80 PolarHBondContact O-N 3.46Å; V55-V124 WeakPolarHBondContact CA-O 3.43Å; V55-V124 HydrophobicContact CG1-CB 4.4Å; V55-V124 HydrophobicContact CG1-CG1 4.28Å; V55-V124 HydrophobicContact CG2-CB 4.14Å; V55-I126 HydrophobicContact CG1-CD1 3.58Å; V55-I126 HydrophobicContact CG1-CG1 3.74Å; V55-L264 HydrophobicContact CG2-CD1 4.33Å
56	T	97.7	Very high	92.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.164	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	122.5	166.1	-79	0	0	0	0	110.4	F58 I80 P82 A118 M119 S122 V124 I126	T56-F58 HydrophobicContact CG2-CD2 3.87Å; T56-F58 HydrophobicContact CG2-CE1 4.4Å; T56-F58 HydrophobicContact CG2-CE2 3.52Å; T56-F58 HydrophobicContact CG2-CG 4.44Å; T56-F58 HydrophobicContact CG2-CZ 3.82Å; T56-I80 WeakPolarHBondContact CA-O 3.23Å; T56-I80 WeakPolarHBondContact OG1-CB 3.36Å; T56-P82 HydrophobicContact CG2-CG 3.89Å; T56-A118 PolarHBondContact OG1-O 3.28Å; T56-M119 HydrophobicContact CG2-CG 4.3Å; T56-S122 WeakPolarHBondContact CB-OG 3.28Å; T56-S122 PolarHBondContact OG1-OG 3Å; T56-V124 PolarHBondContact N-O 3.48Å; T56-I126 PolarHBondContact O-N 2.66Å
57	V	97.5	Very high	93.2	Very high	0 Å²	0	28.5 Å²	28.5	0%	0	16%	0.159	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	92.7	179.2	-171.7	0	0	0	0	111.5	V55 G60 L68 M69 L72 I79 I80 L128	V55-V57 HydrophobicContact CG1-CG2 3.84Å; V57-G60 PolarHBondContact O-N 3.2Å; V57-L68 HydrophobicContact CG1-CD2 4.41Å; V57-M69 HydrophobicContact CG2-CG 4.36Å; V57-L72 HydrophobicContact CG2-CD1 4.06Å; V57-I79 HydrophobicContact CG2-CG2 4.28Å; V57-I80 PolarHBondContact N-O 3.25Å; V57-L128 HydrophobicContact CG1-CD1 3.8Å; V57-L128 HydrophobicContact CG1-CG 4.27Å
58	F	97.2	Very high	93.4	Very high	0 Å²	0	23.2 Å²	23.2	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-67.9	132	169.3	-66.3	-75.9	0	0	0	110.1	T56 G60 P82 F107 L115 A118 M119 V125 I126 L128 T129 I151	T56-F58 HydrophobicContact CG2-CD2 3.87Å; T56-F58 HydrophobicContact CG2-CE1 4.4Å; T56-F58 HydrophobicContact CG2-CE2 3.52Å; T56-F58 HydrophobicContact CG2-CG 4.44Å; T56-F58 HydrophobicContact CG2-CZ 3.82Å; F58-G60 VanDerWaalsContact C-N 3.3Å; F58-P82 HydrophobicContact CD1-CB 3.91Å; F58-P82 HydrophobicContact CD1-CG 3.36Å; F58-P82 HydrophobicContact CE1-CB 3.83Å; F58-P82 HydrophobicContact CE1-CG 3.57Å; F58-P82 HydrophobicContact CG-CG 3.95Å; F58-P82 HydrophobicContact CZ-CG 4.33Å; F58-F107 HydrophobicContact CD1-CD2 4.36Å; F58-F107 AromaticContact CD1-CE2 3.72Å; F58-F107 HydrophobicContact CD1-CE2 3.72Å; F58-F107 AromaticContact CD1-CZ 3.93Å; F58-F107 HydrophobicContact CD1-CZ 3.93Å; F58-F107 HydrophobicContact CE1-CD2 4.07Å; F58-F107 AromaticContact CE1-CE2 3.87Å; F58-F107 HydrophobicContact CE1-CE2 3.87Å; F58-F107 HydrophobicContact CE1-CZ 4.45Å; F58-L115 HydrophobicContact CD1-CD2 4.41Å; F58-L115 HydrophobicContact CE1-CD2 3.54Å; F58-L115 HydrophobicContact CZ-CD2 3.85Å; F58-A118 HydrophobicContact CE1-CB 4.43Å; F58-A118 HydrophobicContact CZ-CB 4.28Å; F58-M119 HydrophobicContact CE2-CE 4.16Å; F58-M119 HydrophobicContact CE2-CG 3.82Å; F58-M119 HydrophobicContact CE2-SD 3.74Å; F58-M119 HydrophobicContact CZ-CE 3.94Å; F58-M119 HydrophobicContact CZ-CG 3.87Å; F58-M119 HydrophobicContact CZ-SD 4.05Å; F58-V125 HydrophobicContact CD2-CG1 3.78Å; F58-V125 HydrophobicContact CE2-CG1 3.71Å; F58-I126 PolarHBondContact N-O 2.96Å; F58-L128 WeakPolarHBondContact O-CA 3.46Å; F58-L128 VanDerWaalsContact O-CB 3.27Å; F58-L128 WeakPolarHBondContact O-CB 3.39Å; F58-L128 PolarHBondContact O-N 3.21Å; F58-T129 HydrophobicContact CB-CG2 3.77Å; F58-I151 HydrophobicContact CB-CD1 4.3Å; F58-I151 HydrophobicContact CD1-CD1 4.31Å; F58-I151 HydrophobicContact CD2-CD1 3.96Å; F58-I151 HydrophobicContact CD2-CG1 4.33Å; F58-I151 HydrophobicContact CD2-CG2 4.04Å; F58-I151 HydrophobicContact CE2-CD1 4.35Å; F58-I151 HydrophobicContact CE2-CG1 4.24Å; F58-I151 HydrophobicContact CE2-CG2 3.97Å; F58-I151 HydrophobicContact CG-CD1 3.95Å; F58-I151 HydrophobicContact CZ-CG1 4.5Å
59	G	94.6	Very high	93.7	Very high	17 Å²	17	19.4 Å²	19.4	18%	0.175	11%	0.108	C	C	.	.	T	Hydrogen-bonded Turn	trans	78.7	9.2	-173	0	0	0	0	0	114.4	T61 G62	G59-T61 PolarHBondContact O-N 3.2Å; G59-T61 VanDerWaalsContact O-N 3.08Å; G59-G62 PolarHBondContact O-N 2.75Å
60	G	93.1	Very high	93.9	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	12%	0.117	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-26.1	178.1	0	0	0	0	0	114.6	V57 F58 G62 G65 R66 M69	V57-G60 PolarHBondContact O-N 3.2Å; F58-G60 VanDerWaalsContact C-N 3.3Å; G60-G62 PolarHBondContact O-N 3.36Å; G60-G65 CarbonylContact O-C 3.59Å; G60-G65 WeakPolarHBondContact O-CA 3.43Å; G60-R66 PolarHBondContact O-N 3.03Å; G60-R66 VanDerWaalsContact O-N 3.16Å; G60-M69 WeakPolarHBondContact O-CE 3.08Å
61	T	93.5	Very high	94.1	Very high	37 Å²	37	19.6 Å²	19.6	23%	0.227	11%	0.113	C	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-17.7	177.4	64.7	0	0	0	0	114.1	G59 R66 L81 I90	G59-T61 PolarHBondContact O-N 3.2Å; G59-T61 VanDerWaalsContact O-N 3.08Å; T61-R66 PolarHBondContact O-NE 3.22Å; T61-R66 PolarHBondContact O-NH2 2.98Å; T61-R66 VanDerWaalsContact O-NH2 3.08Å; T61-L81 HydrophobicContact CG2-CD1 4.23Å; T61-L81 HydrophobicContact CG2-CD2 4.28Å; T61-I90 HydrophobicContact CG2-CG2 3.56Å
62	G	91.8	Very high	94.4	Very high	32 Å²	32	18.7 Å²	18.7	33%	0.33	11%	0.108	S	C	.	.	S	Bend	trans	-85	-173.5	-177.7	0	0	0	0	0	114.7	G59 G60 G65 R66	G59-G62 PolarHBondContact O-N 2.75Å; G60-G62 PolarHBondContact O-N 3.36Å; G62-G65 PolarHBondContact O-N 3.03Å; G62-R66 WeakPolarHBondContact O-CG 3.34Å; G62-R66 PolarHBondContact O-N 2.87Å
63	Y	93	Very high	94.8	Very high	60 Å²	60	18.4 Å²	18.4	24%	0.235	11%	0.106	C	C	.	.	H	α-helix	trans	-61.3	-56.8	-170.5	-176.2	-116.4	0	0	0	114.1	G65 N67 I211 G213 P214 H215 D216 V253	Y63-G65 VanDerWaalsContact C-N 3.31Å; Y63-N67 PolarHBondContact O-ND2 2.94Å; Y63-I211 HydrophobicContact CE1-CG2 4.18Å; Y63-G213 WeakPolarHBondContact OH-CA 3.41Å; Y63-G213 PolarHBondContact OH-O 2.81Å; Y63-P214 WeakPolarHBondContact CE2-O 3.45Å; Y63-P214 PolarHBondContact OH-O 3.4Å; Y63-H215 WeakPolarHBondContact CE2-O 3.47Å; Y63-D216 HydrophobicContact CE1-CB 4.13Å; Y63-V253 HydrophobicContact CD1-CG2 4.19Å; Y63-V253 HydrophobicContact CE1-CB 4Å; Y63-V253 HydrophobicContact CE1-CG1 4.42Å; Y63-V253 HydrophobicContact CE1-CG2 3.78Å
64	L	95.3	Very high	94.8	Very high	18 Å²	18	22.3 Å²	22.3	9%	0.094	12%	0.121	C	C	.	.	H	α-helix	trans	-65.9	-37.4	175.7	178.5	56.5	0	0	0	111.1	R66 N67 L68 L128 V166 I211 V253 L256	L64-R66 PolarHBondContact O-N 3.34Å; L64-N67 PolarHBondContact O-N 3.29Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3.22Å; L64-L128 HydrophobicContact CD2-CD2 4Å; L64-L128 HydrophobicContact CG-CD1 4.23Å; L64-L128 HydrophobicContact CG-CD2 4.42Å; L64-V166 HydrophobicContact CD2-CG1 4.12Å; L64-V166 HydrophobicContact CD2-CG2 4.44Å; L64-I211 HydrophobicContact CD2-CD1 4.21Å; L64-V253 HydrophobicContact CD1-CG2 3.94Å; L64-L256 HydrophobicContact CD1-CD2 3.75Å; L64-L256 HydrophobicContact CD1-CG 4.03Å; L64-L256 HydrophobicContact CD2-CD2 3.72Å; L64-L256 HydrophobicContact CD2-CG 4.42Å; L64-L256 HydrophobicContact CG-CD2 4.4Å
65	G	95.1	Very high	94.6	Very high	1 Å²	1	24 Å²	24	1%	0.01	13%	0.132	C	C	.	.	H	α-helix	trans	-57	-49.3	-179	0	0	0	0	0	114.2	G60 G62 Y63 N67 L68 M69 L128	G60-G65 CarbonylContact O-C 3.59Å; G60-G65 WeakPolarHBondContact O-CA 3.43Å; G62-G65 PolarHBondContact O-N 3.03Å; Y63-G65 VanDerWaalsContact C-N 3.31Å; G65-N67 VanDerWaalsContact C-N 3.32Å; G65-N67 PolarHBondContact O-N 2.67Å; G65-L68 PolarHBondContact O-N 3.1Å; G65-M69 WeakPolarHBondContact O-CB 3.27Å; G65-M69 WeakPolarHBondContact O-CG 3.46Å; G65-M69 PolarHBondContact O-N 3.15Å; G65-L128 VanDerWaalsContact CA-CD1 3.45Å
66	R	94	Very high	94.3	Very high	82 Å²	82	24 Å²	24	31%	0.309	13%	0.132	S	C	.	.	H	α-helix	trans	-60.3	-42	177.5	-67	175.6	-165.1	-129.3	-9.3	111.9	G60 T61 G62 L64 A70 M89 D92 V93	G60-R66 PolarHBondContact O-N 3.03Å; G60-R66 VanDerWaalsContact O-N 3.16Å; T61-R66 PolarHBondContact O-NE 3.22Å; T61-R66 PolarHBondContact O-NH2 2.98Å; T61-R66 VanDerWaalsContact O-NH2 3.08Å; G62-R66 WeakPolarHBondContact O-CG 3.34Å; G62-R66 PolarHBondContact O-N 2.87Å; L64-R66 PolarHBondContact O-N 3.34Å; R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 3.28Å; R66-A70 VanDerWaalsContact O-N 3.11Å; R66-M89 PolarHBondContact NH2-O 3.23Å; R66-D92 IonicContact CZ-OD1 2.72Å; R66-D92 IonicContact CZ-OD2 3.66Å; R66-D92 IonicContact NE-OD2 3Å; R66-D92 IonicContact NH1-OD1 2.71Å; R66-D92 PolarHBondContact NH1-OD1 3.24Å; R66-D92 IonicContact NH1-OD2 2.97Å; R66-D92 PolarHBondContact NH1-OD2 3.27Å; R66-V93 HydrophobicContact CG-CG2 4.33Å
67	N	94.6	Very high	94.1	Very high	41 Å²	41	24.1 Å²	24.1	22%	0.219	13%	0.132	C	C	.	.	H	α-helix	trans	-67.8	-41.2	178	-75.7	-81.1	0	0	0	112.3	Y63 L64 G65 A70 Q71 V253	Y63-N67 PolarHBondContact O-ND2 2.94Å; L64-N67 PolarHBondContact O-N 3.29Å; G65-N67 VanDerWaalsContact C-N 3.32Å; G65-N67 PolarHBondContact O-N 2.67Å; N67-A70 PolarHBondContact O-N 3.46Å; N67-Q71 PolarHBondContact O-N 2.7Å; N67-V253 HydrophobicContact CB-CG2 3.81Å
68	L	96.2	Very high	94	Very high	0 Å²	0	26.7 Å²	26.7	0%	0	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-48.2	177.3	179.9	64.2	0	0	0	112.1	V57 L64 G65 A70 Q71 L72 I126 L128 A257 I260 V261	V57-L68 HydrophobicContact CG1-CD2 4.41Å; L64-L68 WeakPolarHBondContact O-CB 3.34Å; L64-L68 PolarHBondContact O-N 3.22Å; G65-L68 PolarHBondContact O-N 3.1Å; L68-A70 PolarHBondContact O-N 2.9Å; L68-Q71 PolarHBondContact O-N 2.66Å; L68-L72 HydrophobicContact CD1-CD1 4.48Å; L68-L72 HydrophobicContact CD1-CG 4.49Å; L68-L72 HydrophobicContact CG-CD1 4.02Å; L68-L72 HydrophobicContact CG-CG 4.46Å; L68-L72 PolarHBondContact O-N 3.26Å; L68-I126 HydrophobicContact CD2-CD1 3.83Å; L68-I126 HydrophobicContact CD2-CG2 3.86Å; L68-L128 HydrophobicContact CD2-CD1 3.94Å; L68-L128 HydrophobicContact CD2-CD2 4.43Å; L68-A257 HydrophobicContact CB-CB 4.43Å; L68-A257 HydrophobicContact CD1-CB 4.27Å; L68-I260 HydrophobicContact CD1-CB 3.85Å; L68-I260 HydrophobicContact CD1-CD1 4.43Å; L68-I260 HydrophobicContact CD1-CG2 3.66Å; L68-I260 HydrophobicContact CD2-CD1 4.43Å; L68-I260 HydrophobicContact CD2-CG2 4.03Å; L68-V261 HydrophobicContact CD1-CG2 3.93Å
69	M	96	Very high	93.9	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	14%	0.144	C	C	.	.	H	α-helix	trans	-59.7	-32.7	176.1	-69.3	-175.4	-57.2	0	0	111.6	V57 G60 G65 Q71 L72 A73 I79 L81 V93	V57-M69 HydrophobicContact CG2-CG 4.36Å; G60-M69 WeakPolarHBondContact O-CE 3.08Å; G65-M69 WeakPolarHBondContact O-CB 3.27Å; G65-M69 WeakPolarHBondContact O-CG 3.46Å; G65-M69 PolarHBondContact O-N 3.15Å; M69-Q71 VanDerWaalsContact C-N 3.31Å; M69-Q71 PolarHBondContact O-N 3.33Å; M69-L72 PolarHBondContact O-N 3.33Å; M69-A73 WeakPolarHBondContact O-CB 3.37Å; M69-A73 PolarHBondContact O-N 3.49Å; M69-I79 HydrophobicContact CB-CD1 3.96Å; M69-I79 HydrophobicContact CG-CD1 4.2Å; M69-I79 HydrophobicContact CG-CG2 4.04Å; M69-I79 HydrophobicContact SD-CG2 3.95Å; M69-L81 HydrophobicContact CE-CD2 4.16Å; M69-L81 HydrophobicContact SD-CB 4.47Å; M69-L81 HydrophobicContact SD-CD1 4.06Å; M69-L81 HydrophobicContact SD-CD2 4.07Å; M69-L81 HydrophobicContact SD-CG 4.44Å; M69-V93 HydrophobicContact CE-CB 4.3Å; M69-V93 HydrophobicContact CE-CG1 3.43Å; M69-V93 VanDerWaalsContact CE-CG1 3.43Å; M69-V93 HydrophobicContact CE-CG2 3.8Å; M69-V93 HydrophobicContact SD-CG1 3.94Å
70	A	94.4	Very high	94	Very high	30 Å²	30	26.3 Å²	26.3	25%	0.248	14%	0.138	C	C	.	.	H	α-helix	trans	-67.8	-24	174	0	0	0	0	0	114.6	R66 N67 L68 K74 I96	R66-A70 WeakPolarHBondContact O-CB 3.45Å; R66-A70 PolarHBondContact O-N 3.28Å; R66-A70 VanDerWaalsContact O-N 3.11Å; N67-A70 PolarHBondContact O-N 3.46Å; L68-A70 PolarHBondContact O-N 2.9Å; A70-K74 WeakPolarHBondContact O-CD 3.49Å; A70-K74 WeakPolarHBondContact O-CE 3.3Å; A70-K74 VanDerWaalsContact O-CG 3.23Å; A70-K74 WeakPolarHBondContact O-CG 3.5Å; A70-I96 VanDerWaalsContact CA-CG2 3.45Å; A70-I96 HydrophobicContact CB-CG2 4Å
71	Q	94	Very high	94.2	Very high	18 Å²	18	26.3 Å²	26.3	8%	0.084	14%	0.138	C	C	.	.	H	α-helix	trans	-83	-47.4	169.5	-55.9	-62.6	40.2	0	0	111.2	N67 L68 M69 A73 K74 T75 H254 A257 C258 V261	N67-Q71 PolarHBondContact O-N 2.7Å; L68-Q71 PolarHBondContact O-N 2.66Å; M69-Q71 VanDerWaalsContact C-N 3.31Å; M69-Q71 PolarHBondContact O-N 3.33Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 2.8Å; Q71-K74 WeakPolarHBondContact O-CB 3.47Å; Q71-K74 PolarHBondContact O-N 3.15Å; Q71-K74 VanDerWaalsContact O-N 3.1Å; Q71-T75 PolarHBondContact O-N 3.31Å; Q71-T75 PolarHBondContact O-OG1 2.87Å; Q71-H254 PolarHBondContact NE2-CD2 2.8Å; Q71-H254 PolarHBondContact NE2-CE1 3.35Å; Q71-H254 VanDerWaalsContact NE2-CE1 3.28Å; Q71-H254 PolarHBondContact NE2-NE2 2.94Å; Q71-A257 HydrophobicContact CG-CB 3.93Å; Q71-C258 PolarHBondContact NE2-SG 3.43Å; Q71-V261 HydrophobicContact CB-CG2 3.88Å
72	L	94.8	Very high	94.4	Very high	1 Å²	1	24.7 Å²	24.7	1%	0.005	13%	0.128	C	C	.	.	H	α-helix	trans	-55	-45.7	178.1	-70.2	171	0	0	0	111.9	V55 V57 L68 M69 K74 T75 G76 T77 I79 I126 V261 L264	V55-L72 HydrophobicContact CB-CD1 4.5Å; V55-L72 HydrophobicContact CG1-CD1 4.14Å; V55-L72 HydrophobicContact CG2-CD2 4.39Å; V57-L72 HydrophobicContact CG2-CD1 4.06Å; L68-L72 HydrophobicContact CD1-CD1 4.48Å; L68-L72 HydrophobicContact CD1-CG 4.49Å; L68-L72 HydrophobicContact CG-CD1 4.02Å; L68-L72 HydrophobicContact CG-CG 4.46Å; L68-L72 PolarHBondContact O-N 3.26Å; M69-L72 PolarHBondContact O-N 3.33Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.48Å; L72-T75 PolarHBondContact O-N 3.06Å; L72-G76 PolarHBondContact O-N 3.26Å; L72-T77 HydrophobicContact CD2-CG2 4.26Å; L72-T77 VanDerWaalsContact O-CB 3.28Å; L72-T77 WeakPolarHBondContact O-CB 3.44Å; L72-T77 PolarHBondContact O-N 2.76Å; L72-T77 VanDerWaalsContact O-N 3.09Å; L72-T77 PolarHBondContact O-OG1 3.48Å; L72-I79 HydrophobicContact CB-CD1 3.74Å; L72-I79 HydrophobicContact CB-CG1 4.14Å; L72-I126 HydrophobicContact CD1-CD1 4.29Å; L72-V261 HydrophobicContact CD2-CG2 3.78Å; L72-V261 HydrophobicContact CG-CG2 4.05Å; L72-L264 HydrophobicContact CD2-CD1 3.87Å
73	A	94.4	Very high	94.5	Very high	2 Å²	2	24.9 Å²	24.9	2%	0.017	12%	0.119	C	C	.	.	H	α-helix	trans	-68.8	-27.7	179.7	0	0	0	0	0	113.9	R47 M69 Q71 T75 G76 I79 I96	R47-A73 WeakPolarHBondContact CA-O 3.4Å; M69-A73 WeakPolarHBondContact O-CB 3.37Å; M69-A73 PolarHBondContact O-N 3.49Å; Q71-A73 VanDerWaalsContact C-N 3.31Å; Q71-A73 PolarHBondContact O-N 2.8Å; A73-T75 VanDerWaalsContact C-N 3.29Å; A73-G76 PolarHBondContact O-N 2.93Å; A73-I79 HydrophobicContact CB-CD1 4.06Å; A73-I96 HydrophobicContact CB-CG2 3.73Å; A73-I96 WeakPolarHBondContact CB-O 3.28Å
74	K	92.5	Very high	94.6	Very high	113 Å²	113	28.2 Å²	28.2	49%	0.491	13%	0.131	S	C	.	.	H	α-helix	trans	-67.3	-32.2	172.5	-75.9	168.9	-169.6	171.3	0	111.9	G46 R47 A70 Q71 L72 G76	G46-K74 CarbonylContact C-O 3.43Å; G46-K74 WeakPolarHBondContact CA-O 3.09Å; R47-K74 PolarHBondContact N-O 2.94Å; A70-K74 WeakPolarHBondContact O-CD 3.49Å; A70-K74 WeakPolarHBondContact O-CE 3.3Å; A70-K74 VanDerWaalsContact O-CG 3.23Å; A70-K74 WeakPolarHBondContact O-CG 3.5Å; Q71-K74 WeakPolarHBondContact O-CB 3.47Å; Q71-K74 PolarHBondContact O-N 3.15Å; Q71-K74 VanDerWaalsContact O-N 3.1Å; L72-K74 VanDerWaalsContact C-N 3.34Å; L72-K74 PolarHBondContact O-N 3.48Å; K74-G76 VanDerWaalsContact C-N 3.25Å; K74-G76 PolarHBondContact O-N 3.32Å
75	T	90.2	Very high	94.4	Very high	51 Å²	51	29 Å²	29	31%	0.313	14%	0.138	S	C	.	.	H	α-helix	trans	-77.8	-11.2	177.9	-52.3	0	0	0	0	112.5	S49 N51 Q71 L72 A73	S49-T75 PolarHBondContact OG-O 3.36Å; N51-T75 HydrophobicContact CB-CG2 4.41Å; Q71-T75 PolarHBondContact O-N 3.31Å; Q71-T75 PolarHBondContact O-OG1 2.87Å; L72-T75 PolarHBondContact O-N 3.06Å; A73-T75 VanDerWaalsContact C-N 3.29Å
76	G	90.8	Very high	94.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	81.2	28.8	-173.1	0	0	0	0	0	112.9	G46 S49 F50 N51 L72 A73 K74	G46-G76 WeakPolarHBondContact O-CA 3.48Å; G46-G76 PolarHBondContact O-N 3.43Å; S49-G76 WeakPolarHBondContact O-CA 3.42Å; F50-G76 VanDerWaalsContact CA-O 3.28Å; F50-G76 WeakPolarHBondContact CA-O 3.34Å; N51-G76 PolarHBondContact N-O 3.09Å; L72-G76 PolarHBondContact O-N 3.26Å; A73-G76 PolarHBondContact O-N 2.93Å; K74-G76 VanDerWaalsContact C-N 3.25Å; K74-G76 PolarHBondContact O-N 3.32Å
77	T	93.8	Very high	94.3	Very high	2 Å²	2	32.4 Å²	32.4	1%	0.012	17%	0.166	C	C	.	.			trans	-77.4	136.4	174.2	-44.8	0	0	0	0	110.5	N51 I53 V55 L72	N51-T77 PolarHBondContact ND2-OG1 3.22Å; N51-T77 WeakPolarHBondContact OD1-CA 3.47Å; I53-T77 HydrophobicContact CB-CG2 4.28Å; I53-T77 HydrophobicContact CG2-CG2 4.47Å; I53-T77 VanDerWaalsContact O-CG2 3.31Å; I53-T77 WeakPolarHBondContact O-CG2 3.32Å; V55-T77 HydrophobicContact CB-CG2 4.26Å; V55-T77 HydrophobicContact CG2-CG2 3.4Å; V55-T77 VanDerWaalsContact CG2-CG2 3.4Å; L72-T77 HydrophobicContact CD2-CG2 4.26Å; L72-T77 VanDerWaalsContact O-CB 3.28Å; L72-T77 WeakPolarHBondContact O-CB 3.44Å; L72-T77 PolarHBondContact O-N 2.76Å; L72-T77 VanDerWaalsContact O-N 3.09Å; L72-T77 PolarHBondContact O-OG1 3.48Å
78	Q	94.3	Very high	94.2	Very high	54 Å²	54	37.5 Å²	37.5	25%	0.252	19%	0.188	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	128.3	169.8	-172.4	167.5	53.5	0	0	109.5	F50 I53 T54 V55 G100	F50-Q78 HydrophobicContact CE2-CB 4.01Å; I53-Q78 PolarHBondContact O-N 3.18Å; T54-Q78 HydrophobicContact CG2-CB 4.4Å; T54-Q78 HydrophobicContact CG2-CG 4.38Å; V55-Q78 PolarHBondContact N-O 3.16Å; Q78-G100 PolarHBondContact NE2-O 3.36Å; Q78-G100 VanDerWaalsContact NE2-O 3.08Å
79	I	96.4	Very high	93.9	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	120.7	-173.6	-58.4	171.4	0	0	0	109.1	V55 V57 M69 L72 A73 Q101 V102 L103	V55-I79 WeakPolarHBondContact O-CA 3.42Å; V57-I79 HydrophobicContact CG2-CG2 4.28Å; M69-I79 HydrophobicContact CB-CD1 3.96Å; M69-I79 HydrophobicContact CG-CD1 4.2Å; M69-I79 HydrophobicContact CG-CG2 4.04Å; M69-I79 HydrophobicContact SD-CG2 3.95Å; L72-I79 HydrophobicContact CB-CD1 3.74Å; L72-I79 HydrophobicContact CB-CG1 4.14Å; A73-I79 HydrophobicContact CB-CD1 4.06Å; I79-Q101 PolarHBondContact N-O 3.08Å; I79-V102 WeakPolarHBondContact O-CA 3.31Å; I79-L103 PolarHBondContact O-N 2.68Å
80	I	96.5	Very high	93.7	Very high	10 Å²	10	43 Å²	43	5%	0.051	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	116.8	165.7	-60.5	174.1	0	0	0	107.1	T54 V55 T56 V57 P82 L103 L105	T54-I80 HydrophobicContact CG2-CD1 3.79Å; T54-I80 HydrophobicContact CG2-CG1 4.11Å; V55-I80 PolarHBondContact O-N 3.46Å; T56-I80 WeakPolarHBondContact CA-O 3.23Å; T56-I80 WeakPolarHBondContact OG1-CB 3.36Å; V57-I80 PolarHBondContact N-O 3.25Å; I80-P82 WeakPolarHBondContact O-CD 3.35Å; I80-L103 HydrophobicContact CG1-CD1 4.48Å; I80-L105 HydrophobicContact CG2-CD1 3.67Å; I80-L105 HydrophobicContact CG2-CG 4.33Å
81	L	96.6	Very high	93.6	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	96.1	175.8	179.6	55	0	0	0	110.4	T61 M69 Y83 I90 V93 L103 F104 L105	T61-L81 HydrophobicContact CG2-CD1 4.23Å; T61-L81 HydrophobicContact CG2-CD2 4.28Å; M69-L81 HydrophobicContact CE-CD2 4.16Å; M69-L81 HydrophobicContact SD-CB 4.47Å; M69-L81 HydrophobicContact SD-CD1 4.06Å; M69-L81 HydrophobicContact SD-CD2 4.07Å; M69-L81 HydrophobicContact SD-CG 4.44Å; L81-Y83 PolarHBondContact O-N 2.85Å; L81-I90 HydrophobicContact CD2-CG2 4.45Å; L81-V93 HydrophobicContact CD2-CB 4.33Å; L81-V93 HydrophobicContact CD2-CG1 3.87Å; L81-V93 HydrophobicContact CD2-CG2 4.36Å; L81-L103 PolarHBondContact N-O 3.45Å; L81-F104 HydrophobicContact CB-CD1 4.19Å; L81-F104 HydrophobicContact CD2-CD1 3.99Å; L81-F104 HydrophobicContact CD2-CE1 3.95Å; L81-F104 HydrophobicContact CG-CD1 4.41Å; L81-L105 PolarHBondContact O-N 3.23Å
82	P	96.8	Very high	93.4	Very high	2 Å²	2	53.1 Å²	53.1	1%	0.013	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67	121.3	163	28.9	-34.1	0	0	0	109.4	T56 F58 I80 L105 F107 A118	T56-P82 HydrophobicContact CG2-CG 3.89Å; F58-P82 HydrophobicContact CD1-CB 3.91Å; F58-P82 HydrophobicContact CD1-CG 3.36Å; F58-P82 HydrophobicContact CE1-CB 3.83Å; F58-P82 HydrophobicContact CE1-CG 3.57Å; F58-P82 HydrophobicContact CG-CG 3.95Å; F58-P82 HydrophobicContact CZ-CG 4.33Å; I80-P82 WeakPolarHBondContact O-CD 3.35Å; P82-L105 CarbonylContact C-O 3.54Å; P82-L105 VanDerWaalsContact CA-O 3.27Å; P82-L105 WeakPolarHBondContact CA-O 3.29Å; P82-F107 VanDerWaalsContact C-CD1 3.43Å; P82-F107 VanDerWaalsContact C-CE1 3.4Å; P82-F107 HydrophobicContact CB-CB 4.39Å; P82-F107 HydrophobicContact CB-CD1 3.53Å; P82-F107 HydrophobicContact CB-CD2 4.37Å; P82-F107 HydrophobicContact CB-CE1 3.77Å; P82-F107 HydrophobicContact CB-CG 3.84Å; P82-F107 HydrophobicContact CB-CZ 4.29Å; P82-F107 WeakPolarHBondContact O-CE1 3.45Å; P82-A118 HydrophobicContact CB-CB 4.22Å
83	Y	95.8	Very high	93.2	Very high	37 Å²	37	53 Å²	53	15%	0.145	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	142.7	-180	73.7	-84.6	0	0	0	112.6	L81 C85 P87 I90 F104 L105 P106 F107	L81-Y83 PolarHBondContact O-N 2.85Å; Y83-C85 VanDerWaalsContact CD2-O 3.28Å; Y83-C85 WeakPolarHBondContact CD2-O 3.38Å; Y83-P87 HydrophobicContact CE2-CG 4.16Å; Y83-I90 HydrophobicContact CD1-CD1 3.8Å; Y83-I90 HydrophobicContact CD2-CD1 3.87Å; Y83-I90 HydrophobicContact CE1-CD1 3.87Å; Y83-I90 HydrophobicContact CE2-CD1 3.93Å; Y83-I90 HydrophobicContact CG-CD1 3.81Å; Y83-I90 HydrophobicContact CG-CG2 4.47Å; Y83-F104 HydrophobicContact CD1-CB 4.06Å; Y83-F104 HydrophobicContact CE1-CB 3.74Å; Y83-L105 VanDerWaalsContact CD1-C 3.5Å; Y83-L105 WeakPolarHBondContact CD1-O 3.49Å; Y83-L105 VanDerWaalsContact CE1-C 3.43Å; Y83-L105 PolarHBondContact N-O 3.33Å; Y83-P106 HydrophobicContact CE1-CB 4.46Å; Y83-P106 WeakPolarHBondContact O-CA 3.44Å; Y83-F107 WeakPolarHBondContact O-CD1 3.32Å; Y83-F107 PolarHBondContact O-N 3.42Å; Y83-F107 VanDerWaalsContact O-N 3.16Å
84	R	93.9	Very high	93	Very high	129 Å²	129	59.9 Å²	59.9	49%	0.487	28%	0.281	S	S	.	.			trans	-109.6	-21.4	175.7	173	178.7	167.3	83.8	22	112.6	F107 D108	R84-F107 HydrophobicContact CB-CE1 4.26Å; R84-D108 IonicContact CZ-OD1 2.83Å; R84-D108 IonicContact NH1-OD1 3.37Å; R84-D108 PolarHBondContact NH1-OD1 2.74Å; R84-D108 IonicContact NH1-OD2 3.2Å; R84-D108 PolarHBondContact NH1-OD2 2.84Å; R84-D108 VanDerWaalsContact NH1-OD2 3.08Å
85	C	92.3	Very high	93	Very high	34 Å²	34	59.5 Å²	59.5	23%	0.23	29%	0.288	C	S	.	.	S	Bend	trans	-76.3	170	-177	63.7	0	0	0	0	111.7	Y83 M89	Y83-C85 VanDerWaalsContact CD2-O 3.28Å; Y83-C85 WeakPolarHBondContact CD2-O 3.38Å; C85-M89 HydrophobicContact CB-CB 4.46Å; C85-M89 HydrophobicContact CB-CE 3.81Å; C85-M89 HydrophobicContact CB-SD 4.41Å
86	D	93.4	Very high	93.1	Very high	80 Å²	80	58.8 Å²	58.8	43%	0.428	28%	0.282	S	S	.	.			trans	-55.7	139.3	172.4	-176.6	-85.6	0	0	0	112.2	H88 M89	D86-H88 PolarHBondContact O-N 3.11Å; D86-H88 VanDerWaalsContact O-N 3.12Å; D86-H88 WeakPolarHBondContact OD1-CB 3.31Å; D86-H88 IonicContact OD1-CD2 2.68Å; D86-H88 PolarHBondContact OD1-CD2 2.93Å; D86-H88 IonicContact OD1-CG 3.71Å; D86-H88 PolarHBondContact OD1-N 3.14Å; D86-M89 HydrophobicContact CB-CE 3.7Å; D86-M89 WeakPolarHBondContact O-CB 3.28Å; D86-M89 PolarHBondContact O-N 3.19Å
87	P	91.9	Very high	93	Very high	75 Å²	75	58.9 Å²	58.9	49%	0.487	28%	0.283	S	S	.	.	G	3₁₀ helix	trans	-56.4	-24.1	179.7	-27.3	35.5	0	0	0	115.5	Y83 M89 I90	Y83-P87 HydrophobicContact CE2-CG 4.16Å; P87-M89 VanDerWaalsContact C-N 3.28Å; P87-M89 PolarHBondContact O-N 2.91Å; P87-I90 WeakPolarHBondContact O-CG1 3.48Å
88	H	92.8	Very high	92.9	Very high	148 Å²	148	61.8 Å²	61.8	69%	0.685	30%	0.298	S	S	*	.	G	3₁₀ helix	trans	-67.9	-27.3	174.9	-63.5	-66.5	0	0	0	112.6	D86 I90 R91	D86-H88 PolarHBondContact O-N 3.11Å; D86-H88 VanDerWaalsContact O-N 3.12Å; D86-H88 WeakPolarHBondContact OD1-CB 3.31Å; D86-H88 IonicContact OD1-CD2 2.68Å; D86-H88 PolarHBondContact OD1-CD2 2.93Å; D86-H88 IonicContact OD1-CG 3.71Å; D86-H88 PolarHBondContact OD1-N 3.14Å; H88-I90 VanDerWaalsContact C-N 3.33Å; H88-I90 PolarHBondContact O-N 3Å; H88-R91 WeakPolarHBondContact O-CB 3.45Å
89	M	89.3	Confident	92.9	Very high	108 Å²	108	67 Å²	67	53%	0.532	33%	0.327	S	S	.	.	G	3₁₀ helix	trans	-78.2	-10.8	-179.1	-75.3	-170.8	-92.1	0	0	115	R66 C85 D86 P87	R66-M89 PolarHBondContact NH2-O 3.23Å; C85-M89 HydrophobicContact CB-CB 4.46Å; C85-M89 HydrophobicContact CB-CE 3.81Å; C85-M89 HydrophobicContact CB-SD 4.41Å; D86-M89 HydrophobicContact CB-CE 3.7Å; D86-M89 WeakPolarHBondContact O-CB 3.28Å; D86-M89 PolarHBondContact O-N 3.19Å; P87-M89 VanDerWaalsContact C-N 3.28Å; P87-M89 PolarHBondContact O-N 2.91Å
90	I	92.5	Very high	92.6	Very high	10 Å²	10	69.3 Å²	69.3	5%	0.051	35%	0.35	C	S	.	.	G	3₁₀ helix	trans	-105.1	0.8	176.6	57.5	170.6	0	0	0	113.2	T61 L81 Y83 P87 H88 D92 V93 F104	T61-I90 HydrophobicContact CG2-CG2 3.56Å; L81-I90 HydrophobicContact CD2-CG2 4.45Å; Y83-I90 HydrophobicContact CD1-CD1 3.8Å; Y83-I90 HydrophobicContact CD2-CD1 3.87Å; Y83-I90 HydrophobicContact CE1-CD1 3.87Å; Y83-I90 HydrophobicContact CE2-CD1 3.93Å; Y83-I90 HydrophobicContact CG-CD1 3.81Å; Y83-I90 HydrophobicContact CG-CG2 4.47Å; P87-I90 WeakPolarHBondContact O-CG1 3.48Å; H88-I90 VanDerWaalsContact C-N 3.33Å; H88-I90 PolarHBondContact O-N 3Å; I90-D92 PolarHBondContact O-N 2.85Å; I90-V93 WeakPolarHBondContact O-CB 3.49Å; I90-V93 PolarHBondContact O-N 3.42Å; I90-F104 HydrophobicContact CB-CE1 4.43Å; I90-F104 HydrophobicContact CD1-CB 4.34Å; I90-F104 HydrophobicContact CD1-CD1 3.69Å; I90-F104 HydrophobicContact CD1-CE1 4.22Å; I90-F104 HydrophobicContact CD1-CG 4.12Å
91	R	91.7	Very high	92.4	Very high	192 Å²	192	70 Å²	70	73%	0.725	35%	0.353	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.7	-34.5	-175.9	-176.5	-178.6	65.2	178.8	-1.3	113	H88 K94	H88-R91 WeakPolarHBondContact O-CB 3.45Å; R91-K94 WeakPolarHBondContact O-CB 3.39Å; R91-K94 PolarHBondContact O-N 3.1Å
92	D	90	Very high	92.3	Very high	67 Å²	67	70.8 Å²	70.8	36%	0.358	36%	0.358	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	-29.3	177.5	66	-57.7	0	0	0	112.7	R66 I90 K94 V95	R66-D92 IonicContact CZ-OD1 2.72Å; R66-D92 IonicContact CZ-OD2 3.66Å; R66-D92 IonicContact NE-OD2 3Å; R66-D92 IonicContact NH1-OD1 2.71Å; R66-D92 PolarHBondContact NH1-OD1 3.24Å; R66-D92 IonicContact NH1-OD2 2.97Å; R66-D92 PolarHBondContact NH1-OD2 3.27Å; I90-D92 PolarHBondContact O-N 2.85Å; D92-K94 PolarHBondContact O-N 3.31Å; D92-V95 WeakPolarHBondContact O-CG2 3.19Å; D92-V95 PolarHBondContact O-N 3.23Å
93	V	91.5	Very high	92.2	Very high	0 Å²	0	74.2 Å²	74.2	0%	0	38%	0.376	C	S	.	.	G	3₁₀ helix	trans	-65.4	-28.7	175.4	-177.5	0	0	0	0	111.4	R66 M69 L81 I90 V95 I96 V102 F104	R66-V93 HydrophobicContact CG-CG2 4.33Å; M69-V93 HydrophobicContact CE-CB 4.3Å; M69-V93 HydrophobicContact CE-CG1 3.43Å; M69-V93 VanDerWaalsContact CE-CG1 3.43Å; M69-V93 HydrophobicContact CE-CG2 3.8Å; M69-V93 HydrophobicContact SD-CG1 3.94Å; L81-V93 HydrophobicContact CD2-CB 4.33Å; L81-V93 HydrophobicContact CD2-CG1 3.87Å; L81-V93 HydrophobicContact CD2-CG2 4.36Å; I90-V93 WeakPolarHBondContact O-CB 3.49Å; I90-V93 PolarHBondContact O-N 3.42Å; V93-V95 PolarHBondContact O-N 3.32Å; V93-I96 HydrophobicContact CB-CD1 4.41Å; V93-I96 HydrophobicContact CG1-CD1 4.26Å; V93-I96 VanDerWaalsContact O-CB 3.31Å; V93-I96 WeakPolarHBondContact O-CB 3.38Å; V93-I96 PolarHBondContact O-N 3.49Å; V93-V102 HydrophobicContact CG1-CG1 4.15Å; V93-F104 HydrophobicContact CB-CE1 4.23Å; V93-F104 HydrophobicContact CG1-CE1 4.18Å
94	K	89.9	Confident	92.1	Very high	146 Å²	146	75.4 Å²	75.4	64%	0.635	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-59.6	-28.2	178.7	-170.3	177	178.3	-179.1	0	113.8	R91 D92 I96 F104	R91-K94 WeakPolarHBondContact O-CB 3.39Å; R91-K94 PolarHBondContact O-N 3.1Å; D92-K94 PolarHBondContact O-N 3.31Å; K94-I96 VanDerWaalsContact C-N 3.35Å; K94-F104 HydrophobicContact CB-CE2 4.23Å; K94-F104 HydrophobicContact CB-CZ 3.94Å; K94-F104 HydrophobicContact CG-CE2 4.26Å; K94-F104 HydrophobicContact CG-CZ 4.43Å
95	V	91.6	Very high	92.2	Very high	105 Å²	105	71.6 Å²	71.6	64%	0.636	37%	0.371	S	S	*	.	G	3₁₀ helix	trans	-85.4	-7.2	179.1	-60.3	0	0	0	0	113.5	R47 D92 V93	R47-V95 PolarHBondContact NH1-O 2.95Å; R47-V95 PolarHBondContact NH2-O 3.42Å; D92-V95 WeakPolarHBondContact O-CG2 3.19Å; D92-V95 PolarHBondContact O-N 3.23Å; V93-V95 PolarHBondContact O-N 3.32Å
96	I	92.4	Very high	92.3	Very high	36 Å²	36	74.4 Å²	74.4	19%	0.185	39%	0.389	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.4	-39.4	-172.7	-64.4	-176.2	0	0	0	112.7	R47 A70 A73 V93 K94	R47-I96 VanDerWaalsContact NH1-C 3.31Å; R47-I96 PolarHBondContact NH1-O 3.32Å; A70-I96 VanDerWaalsContact CA-CG2 3.45Å; A70-I96 HydrophobicContact CB-CG2 4Å; A73-I96 HydrophobicContact CB-CG2 3.73Å; A73-I96 WeakPolarHBondContact CB-O 3.28Å; V93-I96 HydrophobicContact CB-CD1 4.41Å; V93-I96 HydrophobicContact CG1-CD1 4.26Å; V93-I96 VanDerWaalsContact O-CB 3.31Å; V93-I96 WeakPolarHBondContact O-CB 3.38Å; V93-I96 PolarHBondContact O-N 3.49Å; K94-I96 VanDerWaalsContact C-N 3.35Å
97	G	89.1	Confident	92.4	Very high	2 Å²	2	71.8 Å²	71.8	2%	0.021	37%	0.374	C	S	.	.	S	Bend	trans	-110.1	170.4	176.6	0	0	0	0	0	113.5	R47	R47-G97 PolarHBondContact NH2-O 3.41Å
98	D	93	Very high	92.5	Very high	62 Å²	62	70.8 Å²	70.8	33%	0.332	36%	0.364	S	S	.	.			trans	-71.6	172.1	173	-150.7	-5	0	0	0	112.3	R47 A48 G100 Q101	R47-D98 HydrophobicContact CG-CB 4.23Å; A48-D98 WeakPolarHBondContact CA-OD2 3.49Å; A48-D98 WeakPolarHBondContact CB-OD2 3.36Å; D98-G100 PolarHBondContact O-N 3.17Å; D98-Q101 HydrophobicContact CB-CG 3.93Å; D98-Q101 WeakPolarHBondContact O-CB 3.42Å; D98-Q101 PolarHBondContact O-N 3.41Å
99	L	92.6	Very high	92.5	Very high	165 Å²	165	64.6 Å²	64.6	86%	0.864	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.2	124.5	177.6	-64.4	173.6	0	0	0	111	Q101	L99-Q101 VanDerWaalsContact C-N 3.25Å; L99-Q101 PolarHBondContact O-N 3.09Å
100	G	90.4	Very high	92.6	Very high	47 Å²	47	64 Å²	64	49%	0.485	33%	0.33	S	S	.	.	T	Hydrogen-bonded Turn	trans	79	-7.2	-178.9	0	0	0	0	0	115.9	Q78 D98	Q78-G100 PolarHBondContact NE2-O 3.36Å; Q78-G100 VanDerWaalsContact NE2-O 3.08Å; D98-G100 PolarHBondContact O-N 3.17Å
101	Q	92.1	Very high	92.7	Very high	24 Å²	24	66.9 Å²	66.9	11%	0.112	35%	0.346	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.3	-31.8	177.7	-66	-67.2	-2.4	0	0	112.8	S49 I79 D98 L99	S49-Q101 PolarHBondContact O-NE2 3.25Å; I79-Q101 PolarHBondContact N-O 3.08Å; D98-Q101 HydrophobicContact CB-CG 3.93Å; D98-Q101 WeakPolarHBondContact O-CB 3.42Å; D98-Q101 PolarHBondContact O-N 3.41Å; L99-Q101 VanDerWaalsContact C-N 3.25Å; L99-Q101 PolarHBondContact O-N 3.09Å
102	V	94.5	Very high	92.9	Very high	17 Å²	17	59.2 Å²	59.2	10%	0.103	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	115.1	176.2	-174.1	0	0	0	0	109.8	I79 V93 F104	I79-V102 WeakPolarHBondContact O-CA 3.31Å; V93-V102 HydrophobicContact CG1-CG1 4.15Å; V102-F104 HydrophobicContact CB-CZ 4.4Å; V102-F104 HydrophobicContact CG1-CD1 4.39Å; V102-F104 HydrophobicContact CG1-CE1 3.74Å; V102-F104 HydrophobicContact CG1-CE2 4.19Å; V102-F104 HydrophobicContact CG1-CZ 3.62Å
103	L	94.8	Very high	93.2	Very high	74 Å²	74	63.1 Å²	63.1	39%	0.387	34%	0.335	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	130.2	178.7	-58.1	-179.8	0	0	0	109.8	I79 I80 L81	I79-L103 PolarHBondContact O-N 2.68Å; I80-L103 HydrophobicContact CG1-CD1 4.48Å; L81-L103 PolarHBondContact N-O 3.45Å
104	F	95.2	Very high	93.4	Very high	63 Å²	63	64 Å²	64	28%	0.276	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	128.1	-177	-56.3	-78.3	0	0	0	110.7	L81 Y83 I90 V93 K94 V102	L81-F104 HydrophobicContact CB-CD1 4.19Å; L81-F104 HydrophobicContact CD2-CD1 3.99Å; L81-F104 HydrophobicContact CD2-CE1 3.95Å; L81-F104 HydrophobicContact CG-CD1 4.41Å; Y83-F104 HydrophobicContact CD1-CB 4.06Å; Y83-F104 HydrophobicContact CE1-CB 3.74Å; I90-F104 HydrophobicContact CB-CE1 4.43Å; I90-F104 HydrophobicContact CD1-CB 4.34Å; I90-F104 HydrophobicContact CD1-CD1 3.69Å; I90-F104 HydrophobicContact CD1-CE1 4.22Å; I90-F104 HydrophobicContact CD1-CG 4.12Å; V93-F104 HydrophobicContact CB-CE1 4.23Å; V93-F104 HydrophobicContact CG1-CE1 4.18Å; K94-F104 HydrophobicContact CB-CE2 4.23Å; K94-F104 HydrophobicContact CB-CZ 3.94Å; K94-F104 HydrophobicContact CG-CE2 4.26Å; K94-F104 HydrophobicContact CG-CZ 4.43Å; V102-F104 HydrophobicContact CB-CZ 4.4Å; V102-F104 HydrophobicContact CG1-CD1 4.39Å; V102-F104 HydrophobicContact CG1-CE1 3.74Å; V102-F104 HydrophobicContact CG1-CE2 4.19Å; V102-F104 HydrophobicContact CG1-CZ 3.62Å
105	L	94.7	Very high	93.7	Very high	49 Å²	49	57 Å²	57	26%	0.257	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	124.7	177	-68.3	177.1	0	0	0	111	I80 L81 P82 Y83 A118	I80-L105 HydrophobicContact CG2-CD1 3.67Å; I80-L105 HydrophobicContact CG2-CG 4.33Å; L81-L105 PolarHBondContact O-N 3.23Å; P82-L105 CarbonylContact C-O 3.54Å; P82-L105 VanDerWaalsContact CA-O 3.27Å; P82-L105 WeakPolarHBondContact CA-O 3.29Å; Y83-L105 VanDerWaalsContact CD1-C 3.5Å; Y83-L105 WeakPolarHBondContact CD1-O 3.49Å; Y83-L105 VanDerWaalsContact CE1-C 3.43Å; Y83-L105 PolarHBondContact N-O 3.33Å; L105-A118 HydrophobicContact CD1-CB 4.43Å
106	P	95.2	Very high	94	Very high	93 Å²	93	56 Å²	56	60%	0.604	30%	0.296	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	138.4	169.3	29.7	-33.2	0	0	0	110.1	Y83	Y83-P106 HydrophobicContact CE1-CB 4.46Å; Y83-P106 WeakPolarHBondContact O-CA 3.44Å
107	F	95	Very high	94.1	Very high	25 Å²	25	61.5 Å²	61.5	11%	0.11	32%	0.318	C	S	.	.			trans	-148.6	164.6	178.5	86.7	-65.5	0	0	0	112.4	F58 P82 Y83 R84 L109 L115	F58-F107 HydrophobicContact CD1-CD2 4.36Å; F58-F107 AromaticContact CD1-CE2 3.72Å; F58-F107 HydrophobicContact CD1-CE2 3.72Å; F58-F107 AromaticContact CD1-CZ 3.93Å; F58-F107 HydrophobicContact CD1-CZ 3.93Å; F58-F107 HydrophobicContact CE1-CD2 4.07Å; F58-F107 AromaticContact CE1-CE2 3.87Å; F58-F107 HydrophobicContact CE1-CE2 3.87Å; F58-F107 HydrophobicContact CE1-CZ 4.45Å; P82-F107 VanDerWaalsContact C-CD1 3.43Å; P82-F107 VanDerWaalsContact C-CE1 3.4Å; P82-F107 HydrophobicContact CB-CB 4.39Å; P82-F107 HydrophobicContact CB-CD1 3.53Å; P82-F107 HydrophobicContact CB-CD2 4.37Å; P82-F107 HydrophobicContact CB-CE1 3.77Å; P82-F107 HydrophobicContact CB-CG 3.84Å; P82-F107 HydrophobicContact CB-CZ 4.29Å; P82-F107 WeakPolarHBondContact O-CE1 3.45Å; Y83-F107 WeakPolarHBondContact O-CD1 3.32Å; Y83-F107 PolarHBondContact O-N 3.42Å; Y83-F107 VanDerWaalsContact O-N 3.16Å; R84-F107 HydrophobicContact CB-CE1 4.26Å; F107-L109 HydrophobicContact CE2-CD2 3.62Å; F107-L109 HydrophobicContact CE2-CG 3.97Å; F107-L109 HydrophobicContact CZ-CD2 4.12Å; F107-L109 HydrophobicContact CZ-CG 4.37Å; F107-L115 HydrophobicContact CD2-CD2 3.79Å; F107-L115 HydrophobicContact CE2-CD2 4.03Å
108	D	94.3	Very high	94.5	Very high	54 Å²	54	61.5 Å²	61.5	29%	0.289	32%	0.318	S	S	.	.			trans	-128.1	143.9	164.8	-158.7	-2.1	0	0	0	111.6	R84 K110 D111 S114	R84-D108 IonicContact CZ-OD1 2.83Å; R84-D108 IonicContact NH1-OD1 3.37Å; R84-D108 PolarHBondContact NH1-OD1 2.74Å; R84-D108 IonicContact NH1-OD2 3.2Å; R84-D108 PolarHBondContact NH1-OD2 2.84Å; R84-D108 VanDerWaalsContact NH1-OD2 3.08Å; D108-K110 PolarHBondContact O-N 2.79Å; D108-D111 PolarHBondContact O-N 3.17Å; D108-S114 PolarHBondContact N-OG 3.24Å; D108-S114 VanDerWaalsContact N-OG 3.16Å; D108-S114 PolarHBondContact O-OG 2.82Å; D108-S114 VanDerWaalsContact O-OG 3.13Å
109	L	92.1	Very high	94.6	Very high	18 Å²	18	58.6 Å²	58.6	9%	0.094	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-16.8	-177.6	-68.8	164.6	0	0	0	113.3	F107 T129 F138 A147	F107-L109 HydrophobicContact CE2-CD2 3.62Å; F107-L109 HydrophobicContact CE2-CG 3.97Å; F107-L109 HydrophobicContact CZ-CD2 4.12Å; F107-L109 HydrophobicContact CZ-CG 4.37Å; L109-T129 HydrophobicContact CD2-CG2 4.3Å; L109-F138 HydrophobicContact CB-CE1 4.2Å; L109-F138 HydrophobicContact CD1-CE1 4.48Å; L109-A147 HydrophobicContact CB-CB 4.38Å; L109-A147 HydrophobicContact CD2-CB 4.07Å
110	K	92.2	Very high	94.7	Very high	96 Å²	96	56.8 Å²	56.8	42%	0.417	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	-16	178.1	-66.2	-173.6	-176.1	-176.3	0	113.4	D108 N137 F138 H142 R150	D108-K110 PolarHBondContact O-N 2.79Å; K110-N137 PolarHBondContact NZ-O 2.89Å; K110-F138 HydrophobicContact CD-CE1 4.22Å; K110-F138 HydrophobicContact CD-CZ 4.31Å; K110-F138 VanDerWaalsContact CE-CE1 3.47Å; K110-F138 HydrophobicContact CG-CE1 3.97Å; K110-F138 HydrophobicContact CG-CZ 4.27Å; K110-H142 WeakPolarHBondContact CE-NE2 3.47Å; K110-R150 PolarHBondContact O-NH1 2.93Å
111	D	95	Very high	94.8	Very high	70 Å²	70	62.4 Å²	62.4	37%	0.374	30%	0.295	S	S	.	.			trans	-102.8	105	-177.3	171.9	34.8	0	0	0	111.2	D108 E113 S114 L115	D108-D111 PolarHBondContact O-N 3.17Å; D111-E113 PolarHBondContact O-N 3.37Å; D111-E113 PolarHBondContact OD1-N 2.76Å; D111-S114 PolarHBondContact O-N 3.28Å; D111-S114 PolarHBondContact O-OG 2.9Å; D111-S114 WeakPolarHBondContact OD2-CB 3.39Å; D111-S114 PolarHBondContact OD2-N 2.95Å; D111-S114 PolarHBondContact OD2-OG 3.16Å; D111-L115 PolarHBondContact O-N 3.32Å
112	D	95.7	Very high	94.9	Very high	30 Å²	30	61.8 Å²	61.8	16%	0.16	29%	0.294	C	S	.	.	H	α-helix	trans	-65.1	-22.9	179.9	-71.3	17.7	0	0	0	112.5	R116 R150 R153 I154	D112-R116 WeakPolarHBondContact O-CG 3.17Å; D112-R116 PolarHBondContact O-N 3Å; D112-R150 IonicContact OD1-CZ 3.49Å; D112-R150 IonicContact OD1-NE 2.73Å; D112-R150 IonicContact OD1-NH1 3.3Å; D112-R150 PolarHBondContact OD1-NH1 2.87Å; D112-R153 IonicContact OD2-NH2 3.63Å; D112-R153 PolarHBondContact OD2-NH2 2.99Å; D112-I154 HydrophobicContact CB-CD1 3.93Å
113	E	96.1	Very high	94.9	Very high	150 Å²	150	62 Å²	62	70%	0.701	29%	0.294	S	S	*	.	H	α-helix	trans	-72	-44.7	174.9	-67	-168.4	-179.4	0	0	111.8	D111 L115 R116 K117	D111-E113 PolarHBondContact O-N 3.37Å; D111-E113 PolarHBondContact OD1-N 2.76Å; E113-L115 VanDerWaalsContact C-N 3.28Å; E113-L115 PolarHBondContact O-N 3.17Å; E113-R116 PolarHBondContact O-N 3.45Å; E113-K117 WeakPolarHBondContact O-CB 3.36Å; E113-K117 PolarHBondContact O-N 3.37Å
114	S	95.5	Very high	94.9	Very high	17 Å²	17	58.8 Å²	58.8	12%	0.119	28%	0.277	C	S	.	.	H	α-helix	trans	-61.2	-37.1	173.7	75.5	0	0	0	0	112.5	D108 D111 K117 A118	D108-S114 PolarHBondContact N-OG 3.24Å; D108-S114 VanDerWaalsContact N-OG 3.16Å; D108-S114 PolarHBondContact O-OG 2.82Å; D108-S114 VanDerWaalsContact O-OG 3.13Å; D111-S114 PolarHBondContact O-N 3.28Å; D111-S114 PolarHBondContact O-OG 2.9Å; D111-S114 WeakPolarHBondContact OD2-CB 3.39Å; D111-S114 PolarHBondContact OD2-N 2.95Å; D111-S114 PolarHBondContact OD2-OG 3.16Å; S114-K117 PolarHBondContact O-N 3.29Å; S114-A118 PolarHBondContact O-N 2.82Å
115	L	96.5	Very high	95	Very high	0 Å²	0	55.8 Å²	55.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-48.1	173.9	-69	177	0	0	0	111.6	F58 F107 D111 E113 K117 A118 M119 R150 I151 I154	F58-L115 HydrophobicContact CD1-CD2 4.41Å; F58-L115 HydrophobicContact CE1-CD2 3.54Å; F58-L115 HydrophobicContact CZ-CD2 3.85Å; F107-L115 HydrophobicContact CD2-CD2 3.79Å; F107-L115 HydrophobicContact CE2-CD2 4.03Å; D111-L115 PolarHBondContact O-N 3.32Å; E113-L115 VanDerWaalsContact C-N 3.28Å; E113-L115 PolarHBondContact O-N 3.17Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.12Å; L115-A118 PolarHBondContact O-N 3Å; L115-M119 HydrophobicContact CB-CE 3.89Å; L115-M119 VanDerWaalsContact O-CE 3.24Å; L115-M119 WeakPolarHBondContact O-CE 3.34Å; L115-M119 PolarHBondContact O-N 3.05Å; L115-M119 VanDerWaalsContact O-N 3.14Å; L115-R150 HydrophobicContact CD1-CB 4.3Å; L115-I151 HydrophobicContact CD2-CG1 4.3Å; L115-I154 HydrophobicContact CB-CD1 3.8Å; L115-I154 HydrophobicContact CD1-CD1 3.94Å
116	R	96.7	Very high	95.2	Very high	85 Å²	85	53.4 Å²	53.4	32%	0.321	25%	0.252	S	S	.	.	H	α-helix	trans	-58.8	-43.1	174.6	-77.5	179	-171.1	105.6	3.2	111.9	D112 E113 A118 M119 K120 I154 E157	D112-R116 WeakPolarHBondContact O-CG 3.17Å; D112-R116 PolarHBondContact O-N 3Å; E113-R116 PolarHBondContact O-N 3.45Å; R116-A118 VanDerWaalsContact C-N 3.34Å; R116-A118 PolarHBondContact O-N 2.89Å; R116-M119 PolarHBondContact O-N 2.89Å; R116-K120 WeakPolarHBondContact O-CB 3.46Å; R116-K120 PolarHBondContact O-N 2.96Å; R116-I154 HydrophobicContact CB-CG2 4.36Å; R116-I154 HydrophobicContact CG-CG2 3.44Å; R116-I154 VanDerWaalsContact CG-CG2 3.44Å; R116-E157 IonicContact CZ-OE2 3.67Å; R116-E157 VanDerWaalsContact CZ-OE2 3.27Å; R116-E157 IonicContact NE-OE2 2.73Å; R116-E157 PolarHBondContact NE-OE2 3.47Å; R116-E157 IonicContact NH2-OE1 2.69Å; R116-E157 PolarHBondContact NH2-OE1 3.28Å; R116-E157 IonicContact NH2-OE2 3.69Å; R116-E157 PolarHBondContact NH2-OE2 3.17Å
117	K	96.3	Very high	95.3	Very high	151 Å²	151	49.1 Å²	49.1	66%	0.657	22%	0.224	S	C	*	.	H	α-helix	trans	-62.1	-38.6	178.4	-175.4	177.9	179.1	179.3	0	112.7	E113 S114 L115	E113-K117 WeakPolarHBondContact O-CB 3.36Å; E113-K117 PolarHBondContact O-N 3.37Å; S114-K117 PolarHBondContact O-N 3.29Å; L115-K117 VanDerWaalsContact C-N 3.32Å; L115-K117 PolarHBondContact O-N 3.12Å
118	A	95.9	Very high	95.4	Very high	2 Å²	2	49.2 Å²	49.2	2%	0.017	23%	0.225	C	C	.	.	H	α-helix	trans	-66.9	-44.3	176.2	0	0	0	0	0	112.1	T56 F58 P82 L105 S114 L115 R116	T56-A118 PolarHBondContact OG1-O 3.28Å; F58-A118 HydrophobicContact CE1-CB 4.43Å; F58-A118 HydrophobicContact CZ-CB 4.28Å; P82-A118 HydrophobicContact CB-CB 4.22Å; L105-A118 HydrophobicContact CD1-CB 4.43Å; S114-A118 PolarHBondContact O-N 2.82Å; L115-A118 PolarHBondContact O-N 3Å; R116-A118 VanDerWaalsContact C-N 3.34Å; R116-A118 PolarHBondContact O-N 2.89Å
119	M	96.2	Very high	95.4	Very high	1 Å²	1	47.2 Å²	47.2	1%	0.005	22%	0.215	C	C	.	.	H	α-helix	trans	-84.4	-15.7	-173.2	-69.7	-179	-84.8	0	0	115	T56 F58 L115 R116 Y121 S122 V125 I151 I154 L158	T56-M119 HydrophobicContact CG2-CG 4.3Å; F58-M119 HydrophobicContact CE2-CE 4.16Å; F58-M119 HydrophobicContact CE2-CG 3.82Å; F58-M119 HydrophobicContact CE2-SD 3.74Å; F58-M119 HydrophobicContact CZ-CE 3.94Å; F58-M119 HydrophobicContact CZ-CG 3.87Å; F58-M119 HydrophobicContact CZ-SD 4.05Å; L115-M119 HydrophobicContact CB-CE 3.89Å; L115-M119 VanDerWaalsContact O-CE 3.24Å; L115-M119 WeakPolarHBondContact O-CE 3.34Å; L115-M119 PolarHBondContact O-N 3.05Å; L115-M119 VanDerWaalsContact O-N 3.14Å; R116-M119 PolarHBondContact O-N 2.89Å; M119-Y121 PolarHBondContact O-N 2.85Å; M119-S122 WeakPolarHBondContact O-CB 3.43Å; M119-S122 PolarHBondContact O-N 3.37Å; M119-S122 PolarHBondContact O-OG 3.47Å; M119-V125 HydrophobicContact CB-CG2 4.37Å; M119-V125 HydrophobicContact CG-CG2 3.71Å; M119-V125 HydrophobicContact SD-CG1 4.1Å; M119-V125 HydrophobicContact SD-CG2 3.81Å; M119-I151 HydrophobicContact SD-CG2 4.38Å; M119-I154 HydrophobicContact CE-CB 3.79Å; M119-I154 HydrophobicContact CE-CG2 3.42Å; M119-I154 VanDerWaalsContact CE-CG2 3.42Å; M119-L158 HydrophobicContact CB-CD1 3.47Å; M119-L158 VanDerWaalsContact CB-CD1 3.47Å
120	K	93.9	Very high	95.5	Very high	126 Å²	126	48.6 Å²	48.6	55%	0.548	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.8	-33.2	-169.9	-172.5	179.1	179.5	-165.9	0	116.3	R116	R116-K120 WeakPolarHBondContact O-CB 3.46Å; R116-K120 PolarHBondContact O-N 2.96Å
121	Y	92.3	Very high	95.4	Very high	166 Å²	166	45.6 Å²	45.6	65%	0.651	22%	0.223	S	C	*	.	T	Hydrogen-bonded Turn	trans	-119.3	25.3	-177.9	-53.1	-61.8	0	0	0	112.8	T54 M119	T54-Y121 WeakPolarHBondContact CB-O 3.4Å; T54-Y121 VanDerWaalsContact CG2-O 3.32Å; T54-Y121 WeakPolarHBondContact CG2-O 3.43Å; M119-Y121 PolarHBondContact O-N 2.85Å
122	S	94.3	Very high	95.1	Very high	11 Å²	11	44.3 Å²	44.3	8%	0.077	22%	0.215	C	C	.	.			trans	-100.6	128.4	-179.2	-55.5	0	0	0	0	111.7	T56 M119	T56-S122 WeakPolarHBondContact CB-OG 3.28Å; T56-S122 PolarHBondContact OG1-OG 3Å; M119-S122 WeakPolarHBondContact O-CB 3.43Å; M119-S122 PolarHBondContact O-N 3.37Å; M119-S122 PolarHBondContact O-OG 3.47Å
123	D	93.9	Very high	94.7	Very high	20 Å²	20	44.3 Å²	44.3	11%	0.107	22%	0.217	C	C	.	.	S	Bend	trans	-74.9	-34	167.9	-52.1	-81.1	0	0	0	110.5	K39 I53 T54 V160 Q161 Q162	K39-D123 WeakPolarHBondContact CE-OD1 3.3Å; K39-D123 IonicContact NZ-OD1 2.69Å; K39-D123 PolarHBondContact NZ-OD1 3.36Å; I53-D123 HydrophobicContact CG2-CB 4.4Å; T54-D123 PolarHBondContact N-OD2 2.83Å; T54-D123 PolarHBondContact O-N 2.81Å; D123-V160 VanDerWaalsContact O-CG1 3.3Å; D123-V160 WeakPolarHBondContact O-CG1 3.43Å; D123-Q161 WeakPolarHBondContact O-CA 3.12Å; D123-Q161 WeakPolarHBondContact O-CB 3.49Å; D123-Q161 PolarHBondContact O-N 3.42Å; D123-Q162 PolarHBondContact O-N 2.93Å
124	V	96.2	Very high	94.3	Very high	7 Å²	7	39.8 Å²	39.8	4%	0.042	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	140.3	-178.3	179.3	0	0	0	0	110.9	I53 T54 V55 T56 I126 Q162 L264	I53-V124 HydrophobicContact CG2-CG2 3.84Å; T54-V124 PolarHBondContact O-N 2.95Å; T54-V124 VanDerWaalsContact O-N 3.14Å; V55-V124 WeakPolarHBondContact CA-O 3.43Å; V55-V124 HydrophobicContact CG1-CB 4.4Å; V55-V124 HydrophobicContact CG1-CG1 4.28Å; V55-V124 HydrophobicContact CG2-CB 4.14Å; T56-V124 PolarHBondContact N-O 3.48Å; V124-I126 HydrophobicContact CG1-CG1 4.09Å; V124-Q162 WeakPolarHBondContact CA-O 3.26Å; V124-Q162 HydrophobicContact CG1-CB 4.48Å; V124-Q162 HydrophobicContact CG2-CB 4.32Å; V124-L264 HydrophobicContact CG1-CD1 4.3Å; V124-L264 HydrophobicContact CG1-CD2 3.67Å
125	V	97.6	Very high	93.9	Very high	0 Å²	0	42.1 Å²	42.1	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	131	171	172.7	0	0	0	0	109.7	F58 M119 I151 V160 Q162 L163 V164	F58-V125 HydrophobicContact CD2-CG1 3.78Å; F58-V125 HydrophobicContact CE2-CG1 3.71Å; M119-V125 HydrophobicContact CB-CG2 4.37Å; M119-V125 HydrophobicContact CG-CG2 3.71Å; M119-V125 HydrophobicContact SD-CG1 4.1Å; M119-V125 HydrophobicContact SD-CG2 3.81Å; V125-I151 HydrophobicContact CG1-CG2 3.93Å; V125-V160 HydrophobicContact CB-CG1 4.17Å; V125-V160 HydrophobicContact CG2-CB 4.44Å; V125-V160 HydrophobicContact CG2-CG1 3.73Å; V125-V160 HydrophobicContact CG2-CG2 3.98Å; V125-Q162 PolarHBondContact N-O 2.74Å; V125-L163 HydrophobicContact CB-CD1 3.95Å; V125-L163 HydrophobicContact CG1-CD1 3.72Å; V125-L163 CarbonylContact O-C 3.39Å; V125-L163 WeakPolarHBondContact O-CA 3.35Å; V125-V164 PolarHBondContact O-N 2.93Å
126	I	97.9	Very high	93.4	Very high	0 Å²	0	53.4 Å²	53.4	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	120.8	176.6	-51.5	-177.8	0	0	0	109	V55 T56 F58 L68 L72 V124 L128 V164 I260 L264	V55-I126 HydrophobicContact CG1-CD1 3.58Å; V55-I126 HydrophobicContact CG1-CG1 3.74Å; T56-I126 PolarHBondContact O-N 2.66Å; F58-I126 PolarHBondContact N-O 2.96Å; L68-I126 HydrophobicContact CD2-CD1 3.83Å; L68-I126 HydrophobicContact CD2-CG2 3.86Å; L72-I126 HydrophobicContact CD1-CD1 4.29Å; V124-I126 HydrophobicContact CG1-CG1 4.09Å; I126-L128 HydrophobicContact CG2-CD2 3.7Å; I126-L128 HydrophobicContact CG2-CG 4.03Å; I126-V164 WeakPolarHBondContact CA-O 3.47Å; I126-V164 HydrophobicContact CG1-CB 4.22Å; I126-V164 HydrophobicContact CG1-CG2 4.44Å; I126-V164 HydrophobicContact CG2-CB 4.23Å; I126-V164 HydrophobicContact CG2-CG1 4.43Å; I126-I260 HydrophobicContact CD1-CG2 3.98Å; I126-L264 HydrophobicContact CD1-CD1 4.28Å
127	N	97.7	Very high	93.1	Very high	2 Å²	2	53.3 Å²	53.3	1%	0.011	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	101.6	178.9	-175.7	5.9	0	0	0	111.3	T129 V164 H165 V166	N127-T129 WeakPolarHBondContact OD1-CB 3.39Å; N127-T129 PolarHBondContact OD1-N 2.94Å; N127-T129 PolarHBondContact OD1-OG1 3Å; N127-V164 PolarHBondContact N-O 2.84Å; N127-H165 PolarHBondContact ND2-ND1 2.92Å; N127-V166 PolarHBondContact O-N 2.82Å; N127-V166 VanDerWaalsContact O-N 3.09Å
128	L	97	Very high	92.9	Very high	27 Å²	27	47.1 Å²	47.1	14%	0.141	23%	0.234	C	C	.	.			trans	-104.6	16.3	172.3	-45.8	-179.9	0	0	0	112.3	V57 F58 L64 G65 L68 I126 V166	V57-L128 HydrophobicContact CG1-CD1 3.8Å; V57-L128 HydrophobicContact CG1-CG 4.27Å; F58-L128 WeakPolarHBondContact O-CA 3.46Å; F58-L128 VanDerWaalsContact O-CB 3.27Å; F58-L128 WeakPolarHBondContact O-CB 3.39Å; F58-L128 PolarHBondContact O-N 3.21Å; L64-L128 HydrophobicContact CD2-CD2 4Å; L64-L128 HydrophobicContact CG-CD1 4.23Å; L64-L128 HydrophobicContact CG-CD2 4.42Å; G65-L128 VanDerWaalsContact CA-CD1 3.45Å; L68-L128 HydrophobicContact CD2-CD1 3.94Å; L68-L128 HydrophobicContact CD2-CD2 4.43Å; I126-L128 HydrophobicContact CG2-CD2 3.7Å; I126-L128 HydrophobicContact CG2-CG 4.03Å; L128-V166 HydrophobicContact CD2-CB 4.02Å; L128-V166 HydrophobicContact CD2-CG2 3.35Å
129	T	95.2	Very high	92.8	Very high	12 Å²	12	49.9 Å²	49.9	7%	0.074	25%	0.25	C	S	.	.			trans	-71	138.6	-178.5	62.8	0	0	0	0	111	F58 L109 N127	F58-T129 HydrophobicContact CB-CG2 3.77Å; L109-T129 HydrophobicContact CD2-CG2 4.3Å; N127-T129 WeakPolarHBondContact OD1-CB 3.39Å; N127-T129 PolarHBondContact OD1-N 2.94Å; N127-T129 PolarHBondContact OD1-OG1 3Å
130	G	92.9	Very high	92.7	Very high	47 Å²	47	50 Å²	50	49%	0.485	25%	0.251	S	S	.	.			trans	178.3	158.2	179.3	0	0	0	0	0	112.5	H144	G130-H144 VanDerWaalsContact CA-NE2 3.27Å; G130-H144 WeakPolarHBondContact CA-NE2 3.48Å
131	T	91.5	Very high	92.7	Very high	33 Å²	33	46.8 Å²	46.8	20%	0.202	24%	0.238	C	C	.	.			trans	-141.1	145.1	174.5	-173.7	0	0	0	0	110.5	S133 I140 V143 H144 F185	T131-S133 WeakPolarHBondContact CG2-O 3.36Å; T131-S133 PolarHBondContact OG1-N 3.21Å; T131-S133 PolarHBondContact OG1-O 3.14Å; T131-I140 HydrophobicContact CG2-CG1 3.99Å; T131-V143 HydrophobicContact CG2-CB 4.22Å; T131-V143 HydrophobicContact CG2-CG1 4.47Å; T131-V143 HydrophobicContact CG2-CG2 4.2Å; T131-H144 PolarHBondContact N-NE2 3.11Å; T131-H144 VanDerWaalsContact N-NE2 3.14Å; T131-H144 PolarHBondContact O-CE1 3.34Å; T131-H144 VanDerWaalsContact O-CE1 3.29Å; T131-H144 PolarHBondContact O-NE2 2.99Å; T131-F185 WeakPolarHBondContact O-CD2 3.39Å
132	E	88	Confident	92.9	Very high	43 Å²	43	40.3 Å²	40.3	20%	0.201	21%	0.213	C	C	.	.	S	Bend	trans	-88.8	-11.9	175.9	-68.7	175	-95.5	0	0	112.3	R217 R332 R335	E132-R217 WeakPolarHBondContact OE1-CD 3.34Å; E132-R217 IonicContact OE1-CZ 2.68Å; E132-R217 IonicContact OE1-NE 3Å; E132-R217 IonicContact OE1-NH1 3.79Å; E132-R217 PolarHBondContact OE1-NH1 2.81Å; E132-R332 IonicContact OE2-CZ 3.37Å; E132-R332 IonicContact OE2-NH1 3.61Å; E132-R332 PolarHBondContact OE2-NH1 2.95Å; E132-R335 IonicContact OE2-CZ 2.62Å; E132-R335 IonicContact OE2-NH1 2.74Å; E132-R335 IonicContact OE2-NH2 2.86Å; E132-R335 PolarHBondContact OE2-NH2 3.3Å
133	S	86.9	Confident	92.9	Very high	30 Å²	30	40.4 Å²	40.4	21%	0.21	21%	0.213	C	C	.	.	S	Bend	trans	-146.9	152.2	-177.3	59.4	0	0	0	0	111.7	T131	T131-S133 WeakPolarHBondContact CG2-O 3.36Å; T131-S133 PolarHBondContact OG1-N 3.21Å; T131-S133 PolarHBondContact OG1-O 3.14Å
134	D	88.3	Confident	93	Very high	56 Å²	56	39.5 Å²	39.5	30%	0.299	21%	0.209	S	C	.	.			trans	-64.4	143	170.8	-66.9	-34.8	0	0	0	110.9	T139 I140 R184	D134-T139 WeakPolarHBondContact OD1-CA 3.38Å; D134-T139 WeakPolarHBondContact OD1-CB 3.46Å; D134-I140 WeakPolarHBondContact OD1-CG1 3.45Å; D134-I140 PolarHBondContact OD1-N 3.39Å; D134-R184 IonicContact OD1-CZ 3.28Å; D134-R184 IonicContact OD1-NH1 3.95Å; D134-R184 IonicContact OD1-NH2 3.7Å; D134-R184 PolarHBondContact OD1-NH2 3.44Å; D134-R184 IonicContact OD2-CZ 3.68Å; D134-R184 IonicContact OD2-NH1 2.77Å; D134-R184 PolarHBondContact OD2-NH1 3.33Å; D134-R184 IonicContact OD2-NH2 3.76Å; D134-R184 PolarHBondContact OD2-NH2 3.02Å
135	T	86.9	Confident	93.1	Very high	66 Å²	66	40.6 Å²	40.6	41%	0.405	21%	0.214	S	C	.	.	B	Isolated β-bridge	trans	-110.7	152.6	163.9	-60.9	0	0	0	0	108.4	N137 F138	T135-N137 PolarHBondContact O-N 3.23Å; T135-F138 PolarHBondContact N-O 3.47Å; T135-F138 CarbonylContact O-C 3.54Å; T135-F138 PolarHBondContact O-N 2.93Å
136	R	86.6	Confident	93	Very high	236 Å²	236	44.1 Å²	44.1	89%	0.891	23%	0.233	S	C	*	.	T	Hydrogen-bonded Turn	trans	-46.6	-32.5	-179.1	-168.6	-176.6	73.5	174.4	2.2	114.9
137	N	89.9	Confident	92.9	Very high	83 Å²	83	44.1 Å²	44.1	44%	0.444	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-11.4	-175.3	-56.9	3.1	0	0	0	114.1	K110 T135	K110-N137 PolarHBondContact NZ-O 2.89Å; T135-N137 PolarHBondContact O-N 3.23Å
138	F	92.1	Very high	92.8	Very high	22 Å²	22	44 Å²	44	10%	0.096	23%	0.232	C	C	.	.	B	Isolated β-bridge	trans	-148.5	114.9	-171.4	-71.8	-86.1	0	0	0	110.3	L109 K110 T135 H142 V143	L109-F138 HydrophobicContact CB-CE1 4.2Å; L109-F138 HydrophobicContact CD1-CE1 4.48Å; K110-F138 HydrophobicContact CD-CE1 4.22Å; K110-F138 HydrophobicContact CD-CZ 4.31Å; K110-F138 VanDerWaalsContact CE-CE1 3.47Å; K110-F138 HydrophobicContact CG-CE1 3.97Å; K110-F138 HydrophobicContact CG-CZ 4.27Å; T135-F138 PolarHBondContact N-O 3.47Å; T135-F138 CarbonylContact O-C 3.54Å; T135-F138 PolarHBondContact O-N 2.93Å; F138-H142 AromaticContact CD1-CE1 3.96Å; F138-H142 AromaticContact CD1-ND1 3.65Å; F138-H142 AromaticContact CE1-CE1 3.9Å; F138-V143 HydrophobicContact CB-CG2 4.13Å; F138-V143 HydrophobicContact CD1-CG2 4.33Å
139	T	93.4	Very high	92.8	Very high	60 Å²	60	43.7 Å²	43.7	37%	0.368	23%	0.232	S	C	.	.			trans	-82.5	162.6	171.2	63.7	0	0	0	0	111.4	D134 E141 H142 V143	D134-T139 WeakPolarHBondContact OD1-CA 3.38Å; D134-T139 WeakPolarHBondContact OD1-CB 3.46Å; T139-E141 VanDerWaalsContact C-N 3.27Å; T139-E141 WeakPolarHBondContact CB-OE2 3.48Å; T139-E141 PolarHBondContact O-N 3.12Å; T139-E141 PolarHBondContact OG1-OE2 2.86Å; T139-H142 PolarHBondContact O-N 2.95Å; T139-H142 PolarHBondContact OG1-N 3.28Å; T139-V143 WeakPolarHBondContact O-CG2 3.47Å; T139-V143 PolarHBondContact O-N 3.21Å
140	I	93.6	Very high	92.9	Very high	3 Å²	3	46.3 Å²	46.3	2%	0.015	24%	0.241	C	C	.	.	H	α-helix	trans	-53.2	-44.9	173.2	-70	163.8	0	0	0	110.9	T131 D134 V143 H144 S188 E331	T131-I140 HydrophobicContact CG2-CG1 3.99Å; D134-I140 WeakPolarHBondContact OD1-CG1 3.45Å; D134-I140 PolarHBondContact OD1-N 3.39Å; I140-V143 PolarHBondContact O-N 2.98Å; I140-H144 PolarHBondContact O-N 3.44Å; I140-S188 WeakPolarHBondContact CG2-OG 3.43Å; I140-E331 HydrophobicContact CD1-CG 4.37Å
141	E	94.8	Very high	93.1	Very high	59 Å²	59	44.1 Å²	44.1	28%	0.276	22%	0.218	S	C	.	.	H	α-helix	trans	-62.7	-46.2	179.8	-61.1	79.2	-171.9	0	0	111.9	T139 V143 H144 I145 R184	T139-E141 VanDerWaalsContact C-N 3.27Å; T139-E141 WeakPolarHBondContact CB-OE2 3.48Å; T139-E141 PolarHBondContact O-N 3.12Å; T139-E141 PolarHBondContact OG1-OE2 2.86Å; E141-V143 PolarHBondContact O-N 3.33Å; E141-H144 PolarHBondContact O-N 3.25Å; E141-I145 HydrophobicContact CB-CD1 4.14Å; E141-I145 HydrophobicContact CG-CD1 4.45Å; E141-I145 WeakPolarHBondContact O-CA 3.31Å; E141-I145 VanDerWaalsContact O-CB 3.27Å; E141-I145 WeakPolarHBondContact O-CB 3.44Å; E141-I145 PolarHBondContact O-N 2.88Å; E141-R184 VanDerWaalsContact CD-NH2 3.27Å; E141-R184 IonicContact OE1-CZ 2.82Å; E141-R184 VanDerWaalsContact OE1-CZ 3.23Å; E141-R184 IonicContact OE1-NE 3.69Å; E141-R184 PolarHBondContact OE1-NE 3.07Å; E141-R184 IonicContact OE1-NH2 3.81Å; E141-R184 PolarHBondContact OE1-NH2 2.84Å; E141-R184 IonicContact OE2-CZ 2.76Å; E141-R184 IonicContact OE2-NH2 3.08Å; E141-R184 PolarHBondContact OE2-NH2 3.16Å
142	H	95.5	Very high	93.3	Very high	30 Å²	30	42.5 Å²	42.5	14%	0.139	21%	0.208	C	C	.	.	I	π-helix	trans	-64.4	-28	179.8	-178.7	-65.8	0	0	0	112.3	K110 F138 T139 D146 A147	K110-H142 WeakPolarHBondContact CE-NE2 3.47Å; F138-H142 AromaticContact CD1-CE1 3.96Å; F138-H142 AromaticContact CD1-ND1 3.65Å; F138-H142 AromaticContact CE1-CE1 3.9Å; T139-H142 PolarHBondContact O-N 2.95Å; T139-H142 PolarHBondContact OG1-N 3.28Å; H142-D146 WeakPolarHBondContact CA-OD2 3.49Å; H142-D146 IonicContact CD2-OD2 3.39Å; H142-D146 PolarHBondContact CD2-OD2 2.77Å; H142-D146 IonicContact CG-OD2 3.06Å; H142-A147 PolarHBondContact O-N 2.86Å; H142-A147 VanDerWaalsContact O-N 3.12Å
143	V	95.2	Very high	93.8	Very high	12 Å²	12	44.5 Å²	44.5	7%	0.073	21%	0.214	C	C	.	.	I	π-helix	trans	-83.2	-41.8	176.8	178.4	0	0	0	0	111.7	T131 F138 T139 I140 E141	T131-V143 HydrophobicContact CG2-CB 4.22Å; T131-V143 HydrophobicContact CG2-CG1 4.47Å; T131-V143 HydrophobicContact CG2-CG2 4.2Å; F138-V143 HydrophobicContact CB-CG2 4.13Å; F138-V143 HydrophobicContact CD1-CG2 4.33Å; T139-V143 WeakPolarHBondContact O-CG2 3.47Å; T139-V143 PolarHBondContact O-N 3.21Å; I140-V143 PolarHBondContact O-N 2.98Å; E141-V143 PolarHBondContact O-N 3.33Å
144	H	96.6	Very high	94.2	Very high	2 Å²	2	43 Å²	43	1%	0.009	20%	0.204	C	C	.	.	I	π-helix	trans	-86.4	-29.1	-175.5	-64.2	160.8	0	0	0	114.4	G130 T131 I140 E141 A148 F185 S188 G192	G130-H144 VanDerWaalsContact CA-NE2 3.27Å; G130-H144 WeakPolarHBondContact CA-NE2 3.48Å; T131-H144 PolarHBondContact N-NE2 3.11Å; T131-H144 VanDerWaalsContact N-NE2 3.14Å; T131-H144 PolarHBondContact O-CE1 3.34Å; T131-H144 VanDerWaalsContact O-CE1 3.29Å; T131-H144 PolarHBondContact O-NE2 2.99Å; I140-H144 PolarHBondContact O-N 3.44Å; E141-H144 PolarHBondContact O-N 3.25Å; H144-A148 WeakPolarHBondContact O-CB 3.42Å; H144-F185 AromaticContact CE1-CD2 3.57Å; H144-F185 AromaticContact CE1-CE2 3.58Å; H144-S188 PolarHBondContact ND1-OG 2.86Å; H144-G192 VanDerWaalsContact O-CA 3.29Å; H144-G192 WeakPolarHBondContact O-CA 3.21Å
145	I	96.8	Very high	94.6	Very high	30 Å²	30	40.4 Å²	40.4	15%	0.154	19%	0.189	C	C	.	.	I	π-helix	trans	-101.7	-72.2	-177.6	-52.5	171.5	0	0	0	109	E141 A147 A148 S149 I191 E195	E141-I145 HydrophobicContact CB-CD1 4.14Å; E141-I145 HydrophobicContact CG-CD1 4.45Å; E141-I145 WeakPolarHBondContact O-CA 3.31Å; E141-I145 VanDerWaalsContact O-CB 3.27Å; E141-I145 WeakPolarHBondContact O-CB 3.44Å; E141-I145 PolarHBondContact O-N 2.88Å; I145-A147 PolarHBondContact O-N 3.46Å; I145-A148 PolarHBondContact O-N 2.86Å; I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.02Å; I145-I191 HydrophobicContact CD1-CB 3.94Å; I145-I191 HydrophobicContact CD1-CD1 4.34Å; I145-I191 HydrophobicContact CD1-CG2 3.74Å; I145-I191 HydrophobicContact CG1-CB 4.18Å; I145-I191 HydrophobicContact CG1-CG2 4.03Å; I145-I191 HydrophobicContact CG2-CG2 4.07Å; I145-E195 HydrophobicContact CG2-CG 4Å
146	D	96	Very high	95.1	Very high	73 Å²	73	42.9 Å²	42.9	39%	0.39	20%	0.195	S	C	.	.	I	π-helix	trans	-58.8	-48.7	-171	-57.1	-26.9	0	0	0	112.3	H142 R150	H142-D146 WeakPolarHBondContact CA-OD2 3.49Å; H142-D146 IonicContact CD2-OD2 3.39Å; H142-D146 PolarHBondContact CD2-OD2 2.77Å; H142-D146 IonicContact CG-OD2 3.06Å; D146-R150 WeakPolarHBondContact O-CB 3.37Å; D146-R150 VanDerWaalsContact O-CG 3.23Å; D146-R150 WeakPolarHBondContact O-CG 3.4Å; D146-R150 PolarHBondContact O-N 2.84Å
147	A	95.8	Very high	95.5	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	17%	0.174	C	C	.	.	H	α-helix	trans	-71.2	-33	-178.8	0	0	0	0	0	113.1	L109 H142 I145 I151	L109-A147 HydrophobicContact CB-CB 4.38Å; L109-A147 HydrophobicContact CD2-CB 4.07Å; H142-A147 PolarHBondContact O-N 2.86Å; H142-A147 VanDerWaalsContact O-N 3.12Å; I145-A147 PolarHBondContact O-N 3.46Å; A147-I151 WeakPolarHBondContact O-CD1 3.41Å; A147-I151 VanDerWaalsContact O-CG1 3.25Å; A147-I151 WeakPolarHBondContact O-CG1 3.34Å; A147-I151 PolarHBondContact O-N 2.78Å
148	A	96.6	Very high	95.8	Very high	1 Å²	1	35.6 Å²	35.6	1%	0.008	17%	0.17	C	C	.	.	H	α-helix	trans	-69.5	-44.8	176.2	0	0	0	0	0	111.5	H144 I145 I151 A152 V196	H144-A148 WeakPolarHBondContact O-CB 3.42Å; I145-A148 PolarHBondContact O-N 2.86Å; A148-I151 PolarHBondContact O-N 3.07Å; A148-A152 WeakPolarHBondContact O-CB 3.4Å; A148-A152 PolarHBondContact O-N 2.59Å; A148-V196 HydrophobicContact CB-CG2 3.75Å
149	S	96.4	Very high	95.9	Very high	20 Å²	20	37.4 Å²	37.4	14%	0.14	20%	0.195	C	C	.	.	H	α-helix	trans	-58.3	-48	172.4	173.3	0	0	0	0	111.7	I145 I151 A152 R153	I145-S149 WeakPolarHBondContact O-CB 3.33Å; I145-S149 PolarHBondContact O-N 3.02Å; S149-I151 PolarHBondContact O-N 3.25Å; S149-A152 PolarHBondContact O-N 2.67Å; S149-R153 WeakPolarHBondContact O-CB 3.17Å; S149-R153 PolarHBondContact O-N 3.18Å
150	R	96.6	Very high	95.9	Very high	66 Å²	66	34.8 Å²	34.8	25%	0.249	18%	0.179	C	C	.	.	H	α-helix	trans	-58.1	-45.6	175.9	-75.8	172.9	-174	-135.2	13.7	112.8	K110 D112 L115 D146 A152 I154	K110-R150 PolarHBondContact O-NH1 2.93Å; D112-R150 IonicContact OD1-CZ 3.49Å; D112-R150 IonicContact OD1-NE 2.73Å; D112-R150 IonicContact OD1-NH1 3.3Å; D112-R150 PolarHBondContact OD1-NH1 2.87Å; L115-R150 HydrophobicContact CD1-CB 4.3Å; D146-R150 WeakPolarHBondContact O-CB 3.37Å; D146-R150 VanDerWaalsContact O-CG 3.23Å; D146-R150 WeakPolarHBondContact O-CG 3.4Å; D146-R150 PolarHBondContact O-N 2.84Å; R150-A152 VanDerWaalsContact C-N 3.34Å; R150-I154 WeakPolarHBondContact O-CB 3.41Å; R150-I154 VanDerWaalsContact O-CG1 3.25Å; R150-I154 WeakPolarHBondContact O-CG1 3.34Å; R150-I154 PolarHBondContact O-N 3.41Å
151	I	97.1	Very high	95.9	Very high	1 Å²	1	40.3 Å²	40.3	1%	0.005	21%	0.205	C	C	.	.	H	α-helix	trans	-62.3	-43.7	176.8	-70.1	165.3	0	0	0	110.2	F58 L115 M119 V125 A147 A148 S149 S155 L163	F58-I151 HydrophobicContact CB-CD1 4.3Å; F58-I151 HydrophobicContact CD1-CD1 4.31Å; F58-I151 HydrophobicContact CD2-CD1 3.96Å; F58-I151 HydrophobicContact CD2-CG1 4.33Å; F58-I151 HydrophobicContact CD2-CG2 4.04Å; F58-I151 HydrophobicContact CE2-CD1 4.35Å; F58-I151 HydrophobicContact CE2-CG1 4.24Å; F58-I151 HydrophobicContact CE2-CG2 3.97Å; F58-I151 HydrophobicContact CG-CD1 3.95Å; F58-I151 HydrophobicContact CZ-CG1 4.5Å; L115-I151 HydrophobicContact CD2-CG1 4.3Å; M119-I151 HydrophobicContact SD-CG2 4.38Å; V125-I151 HydrophobicContact CG1-CG2 3.93Å; A147-I151 WeakPolarHBondContact O-CD1 3.41Å; A147-I151 VanDerWaalsContact O-CG1 3.25Å; A147-I151 WeakPolarHBondContact O-CG1 3.34Å; A147-I151 PolarHBondContact O-N 2.78Å; A148-I151 PolarHBondContact O-N 3.07Å; S149-I151 PolarHBondContact O-N 3.25Å; I151-S155 VanDerWaalsContact O-CB 3.26Å; I151-S155 WeakPolarHBondContact O-CB 3.23Å; I151-S155 PolarHBondContact O-N 2.83Å; I151-S155 PolarHBondContact O-OG 3.35Å; I151-L163 HydrophobicContact CG2-CD1 4.25Å
152	A	97	Very high	95.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-61.5	-52.5	178.1	0	0	0	0	0	111.9	A148 S149 R150 I154 S155 K156 L163 V196 E199	A148-A152 WeakPolarHBondContact O-CB 3.4Å; A148-A152 PolarHBondContact O-N 2.59Å; S149-A152 PolarHBondContact O-N 2.67Å; R150-A152 VanDerWaalsContact C-N 3.34Å; A152-I154 PolarHBondContact O-N 3Å; A152-S155 PolarHBondContact O-N 3.34Å; A152-S155 PolarHBondContact O-OG 3.01Å; A152-K156 PolarHBondContact O-N 3.18Å; A152-K156 VanDerWaalsContact O-N 3.12Å; A152-L163 HydrophobicContact CB-CD2 3.76Å; A152-V196 HydrophobicContact CB-CG1 4.32Å; A152-V196 HydrophobicContact CB-CG2 4.34Å; A152-E199 HydrophobicContact CB-CB 3.74Å; A152-E199 HydrophobicContact CB-CG 4.41Å
153	R	97	Very high	96	Very high	84 Å²	84	36.9 Å²	36.9	32%	0.317	19%	0.189	S	C	.	.	H	α-helix	trans	-55.8	-50.7	177	-171.2	-177.3	72	-151.9	-1.1	112.3	D112 S149 S155 K156 E157 E199	D112-R153 IonicContact OD2-NH2 3.63Å; D112-R153 PolarHBondContact OD2-NH2 2.99Å; S149-R153 WeakPolarHBondContact O-CB 3.17Å; S149-R153 PolarHBondContact O-N 3.18Å; R153-S155 PolarHBondContact O-N 2.84Å; R153-K156 WeakPolarHBondContact O-CB 3.41Å; R153-K156 PolarHBondContact O-N 3.39Å; R153-K156 VanDerWaalsContact O-N 3.17Å; R153-E157 IonicContact NE-OE1 3.55Å; R153-E157 WeakPolarHBondContact O-CG 3.45Å; R153-E157 PolarHBondContact O-N 2.64Å; R153-E199 HydrophobicContact CB-CG 4.21Å
154	I	96.9	Very high	96.1	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.185	C	C	.	.	H	α-helix	trans	-68.3	-35.6	-178.7	-65.1	168.8	0	0	0	111.5	D112 L115 R116 M119 R150 A152 K156 E157 L158	D112-I154 HydrophobicContact CB-CD1 3.93Å; L115-I154 HydrophobicContact CB-CD1 3.8Å; L115-I154 HydrophobicContact CD1-CD1 3.94Å; R116-I154 HydrophobicContact CB-CG2 4.36Å; R116-I154 HydrophobicContact CG-CG2 3.44Å; R116-I154 VanDerWaalsContact CG-CG2 3.44Å; M119-I154 HydrophobicContact CE-CB 3.79Å; M119-I154 HydrophobicContact CE-CG2 3.42Å; M119-I154 VanDerWaalsContact CE-CG2 3.42Å; R150-I154 WeakPolarHBondContact O-CB 3.41Å; R150-I154 VanDerWaalsContact O-CG1 3.25Å; R150-I154 WeakPolarHBondContact O-CG1 3.34Å; R150-I154 PolarHBondContact O-N 3.41Å; A152-I154 PolarHBondContact O-N 3Å; I154-K156 PolarHBondContact O-N 3.02Å; I154-E157 PolarHBondContact O-N 2.85Å; I154-L158 HydrophobicContact CG2-CD1 3.96Å; I154-L158 HydrophobicContact CG2-CG 4.41Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 3.46Å
155	S	96.6	Very high	96.1	Very high	0 Å²	0	36.4 Å²	36.4	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-63.4	-30.5	174.9	78.4	0	0	0	0	112.4	I151 A152 R153 G159 V160 R200	I151-S155 VanDerWaalsContact O-CB 3.26Å; I151-S155 WeakPolarHBondContact O-CB 3.23Å; I151-S155 PolarHBondContact O-N 2.83Å; I151-S155 PolarHBondContact O-OG 3.35Å; A152-S155 PolarHBondContact O-N 3.34Å; A152-S155 PolarHBondContact O-OG 3.01Å; R153-S155 PolarHBondContact O-N 2.84Å; S155-G159 PolarHBondContact O-N 2.95Å; S155-V160 WeakPolarHBondContact O-CB 3.2Å; S155-V160 WeakPolarHBondContact O-CG2 3.38Å; S155-V160 PolarHBondContact O-N 3.37Å; S155-R200 PolarHBondContact O-NH1 2.96Å; S155-R200 WeakPolarHBondContact OG-CD 3.23Å; S155-R200 PolarHBondContact OG-NH1 2.86Å; S155-R200 VanDerWaalsContact OG-NH1 3.16Å
156	K	95.9	Very high	96.2	Very high	118 Å²	118	35.5 Å²	35.5	51%	0.513	18%	0.182	S	C	.	.	H	α-helix	trans	-74.9	-44.5	173.9	-174.6	-175.6	-170.9	171.4	0	111.5	A152 R153 I154 L158 G159 E199 R200	A152-K156 PolarHBondContact O-N 3.18Å; A152-K156 VanDerWaalsContact O-N 3.12Å; R153-K156 WeakPolarHBondContact O-CB 3.41Å; R153-K156 PolarHBondContact O-N 3.39Å; R153-K156 VanDerWaalsContact O-N 3.17Å; I154-K156 PolarHBondContact O-N 3.02Å; K156-L158 PolarHBondContact O-N 3.1Å; K156-G159 PolarHBondContact O-N 2.91Å; K156-G159 VanDerWaalsContact O-N 3.15Å; K156-E199 VanDerWaalsContact CD-O 3.31Å; K156-E199 WeakPolarHBondContact CD-O 3.16Å; K156-E199 WeakPolarHBondContact CE-O 3.47Å; K156-E199 PolarHBondContact NZ-O 3.22Å; K156-R200 HydrophobicContact CB-CG 4.07Å; K156-R200 HydrophobicContact CD-CG 4.43Å
157	E	96.1	Very high	96.1	Very high	98 Å²	98	32.3 Å²	32.3	46%	0.458	17%	0.165	S	C	.	.	H	α-helix	trans	-54.1	-36.1	172.9	-70.6	170.5	-155.5	0	0	112.3	R116 R153 I154	R116-E157 IonicContact CZ-OE2 3.67Å; R116-E157 VanDerWaalsContact CZ-OE2 3.27Å; R116-E157 IonicContact NE-OE2 2.73Å; R116-E157 PolarHBondContact NE-OE2 3.47Å; R116-E157 IonicContact NH2-OE1 2.69Å; R116-E157 PolarHBondContact NH2-OE1 3.28Å; R116-E157 IonicContact NH2-OE2 3.69Å; R116-E157 PolarHBondContact NH2-OE2 3.17Å; R153-E157 IonicContact NE-OE1 3.55Å; R153-E157 WeakPolarHBondContact O-CG 3.45Å; R153-E157 PolarHBondContact O-N 2.64Å; I154-E157 PolarHBondContact O-N 2.85Å
158	L	95.5	Very high	96.1	Very high	68 Å²	68	32.8 Å²	32.8	36%	0.356	17%	0.169	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90	-5.7	-178.5	-68	173.4	0	0	0	114.8	M119 I154 K156 V160	M119-L158 HydrophobicContact CB-CD1 3.47Å; M119-L158 VanDerWaalsContact CB-CD1 3.47Å; I154-L158 HydrophobicContact CG2-CD1 3.96Å; I154-L158 HydrophobicContact CG2-CG 4.41Å; I154-L158 WeakPolarHBondContact O-CG 3.39Å; I154-L158 PolarHBondContact O-N 3.46Å; K156-L158 PolarHBondContact O-N 3.1Å; L158-V160 HydrophobicContact CB-CG2 4.31Å
159	G	93.6	Very high	96	Very high	60 Å²	60	33.4 Å²	33.4	62%	0.619	17%	0.172	S	C	*	.	T	Hydrogen-bonded Turn	trans	69	29.7	-178.5	0	0	0	0	0	114.9	S155 K156 Q161	S155-G159 PolarHBondContact O-N 2.95Å; K156-G159 PolarHBondContact O-N 2.91Å; K156-G159 VanDerWaalsContact O-N 3.15Å; G159-Q161 PolarHBondContact O-N 3.46Å
160	V	94.6	Very high	95.8	Very high	5 Å²	5	33.5 Å²	33.5	3%	0.03	17%	0.172	C	C	.	.			trans	-59.4	131.3	174.7	175.9	0	0	0	0	109.4	D123 V125 S155 L158 Q162 R200	D123-V160 VanDerWaalsContact O-CG1 3.3Å; D123-V160 WeakPolarHBondContact O-CG1 3.43Å; V125-V160 HydrophobicContact CB-CG1 4.17Å; V125-V160 HydrophobicContact CG2-CB 4.44Å; V125-V160 HydrophobicContact CG2-CG1 3.73Å; V125-V160 HydrophobicContact CG2-CG2 3.98Å; S155-V160 WeakPolarHBondContact O-CB 3.2Å; S155-V160 WeakPolarHBondContact O-CG2 3.38Å; S155-V160 PolarHBondContact O-N 3.37Å; L158-V160 HydrophobicContact CB-CG2 4.31Å; V160-Q162 WeakPolarHBondContact CG1-O 3.25Å; V160-R200 VanDerWaalsContact O-CZ 3.31Å; V160-R200 PolarHBondContact O-NH1 3.44Å; V160-R200 PolarHBondContact O-NH2 2.89Å
161	Q	93	Very high	95.6	Very high	120 Å²	120	32.4 Å²	32.4	56%	0.561	17%	0.17	S	C	*	.	S	Bend	trans	-66.2	-43.2	-172.3	-58.7	-175.3	-34.7	0	0	112.6	D123 G159	D123-Q161 WeakPolarHBondContact O-CA 3.12Å; D123-Q161 WeakPolarHBondContact O-CB 3.49Å; D123-Q161 PolarHBondContact O-N 3.42Å; G159-Q161 PolarHBondContact O-N 3.46Å
162	Q	95	Very high	95.4	Very high	14 Å²	14	35.6 Å²	35.6	7%	0.065	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	134.6	179.7	-172.8	175.8	16.1	0	0	111.9	D123 V124 V125 V160 V164 T204 S263 L270	D123-Q162 PolarHBondContact O-N 2.93Å; V124-Q162 WeakPolarHBondContact CA-O 3.26Å; V124-Q162 HydrophobicContact CG1-CB 4.48Å; V124-Q162 HydrophobicContact CG2-CB 4.32Å; V125-Q162 PolarHBondContact N-O 2.74Å; V160-Q162 WeakPolarHBondContact CG1-O 3.25Å; Q162-V164 HydrophobicContact CG-CG2 4.29Å; Q162-T204 PolarHBondContact NE2-OG1 2.9Å; Q162-S263 PolarHBondContact NE2-O 3.16Å; Q162-L270 HydrophobicContact CB-CD2 4.13Å; Q162-L270 HydrophobicContact CG-CD2 3.69Å
163	L	97.1	Very high	95.2	Very high	3 Å²	3	40 Å²	40	2%	0.016	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	125.7	168.4	177.5	65.8	0	0	0	109.1	V125 I151 A152 V196 R200 A203 T204	V125-L163 HydrophobicContact CB-CD1 3.95Å; V125-L163 HydrophobicContact CG1-CD1 3.72Å; V125-L163 CarbonylContact O-C 3.39Å; V125-L163 WeakPolarHBondContact O-CA 3.35Å; I151-L163 HydrophobicContact CG2-CD1 4.25Å; A152-L163 HydrophobicContact CB-CD2 3.76Å; L163-V196 HydrophobicContact CD2-CG1 4.11Å; L163-R200 HydrophobicContact CD2-CB 4.35Å; L163-A203 HydrophobicContact CB-CB 4.21Å; L163-A203 HydrophobicContact CD2-CB 4.12Å; L163-A203 HydrophobicContact CG-CB 4.27Å; L163-A203 CarbonylContact O-C 3.53Å; L163-A203 WeakPolarHBondContact O-CA 3.22Å; L163-T204 PolarHBondContact O-N 3.03Å
164	V	97.5	Very high	95	Very high	0 Å²	0	42.6 Å²	42.6	0%	0	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124	171.1	-175.2	0	0	0	0	109.5	V125 I126 N127 Q162 T204 F206 I260 L264	V125-V164 PolarHBondContact O-N 2.93Å; I126-V164 WeakPolarHBondContact CA-O 3.47Å; I126-V164 HydrophobicContact CG1-CB 4.22Å; I126-V164 HydrophobicContact CG1-CG2 4.44Å; I126-V164 HydrophobicContact CG2-CB 4.23Å; I126-V164 HydrophobicContact CG2-CG1 4.43Å; N127-V164 PolarHBondContact N-O 2.84Å; Q162-V164 HydrophobicContact CG-CG2 4.29Å; V164-T204 CarbonylContact C-O 2.98Å; V164-T204 VanDerWaalsContact CA-O 3.3Å; V164-T204 WeakPolarHBondContact CA-O 3.42Å; V164-F206 HydrophobicContact CG1-CD2 3.64Å; V164-F206 HydrophobicContact CG1-CE2 3.77Å; V164-I260 HydrophobicContact CG1-CG2 4.33Å; V164-L264 HydrophobicContact CG2-CD2 3.69Å
165	H	97.7	Very high	94.7	Very high	4 Å²	4	42.8 Å²	42.8	2%	0.019	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	135.2	176.7	-176.2	68.9	0	0	0	111.6	N127 V196 T204 I205 F206	N127-H165 PolarHBondContact ND2-ND1 2.92Å; H165-V196 HydrophobicContact CB-CG1 4.14Å; H165-T204 PolarHBondContact N-O 2.95Å; H165-I205 HydrophobicContact CB-CG1 4.4Å; H165-I205 WeakPolarHBondContact O-CA 3.39Å; H165-F206 PolarHBondContact O-N 3.2Å
166	V	97.4	Very high	94.4	Very high	11 Å²	11	45.9 Å²	45.9	7%	0.067	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	106.4	175.4	-178	0	0	0	0	110.6	L64 N127 L128 K189 F206 P208 I260	L64-V166 HydrophobicContact CD2-CG1 4.12Å; L64-V166 HydrophobicContact CD2-CG2 4.44Å; N127-V166 PolarHBondContact O-N 2.82Å; N127-V166 VanDerWaalsContact O-N 3.09Å; L128-V166 HydrophobicContact CD2-CB 4.02Å; L128-V166 HydrophobicContact CD2-CG2 3.35Å; V166-K189 PolarHBondContact O-NZ 3.47Å; V166-F206 HydrophobicContact CG2-CB 4.32Å; V166-P208 HydrophobicContact CG1-CG 3.76Å; V166-I260 HydrophobicContact CG2-CD1 4.18Å
167	S	95.8	Very high	94.2	Very high	6 Å²	6	46.1 Å²	46.1	4%	0.042	25%	0.249	C	C	.	.			trans	-86	-140.3	175.9	-174.3	0	0	0	0	109.8	E193 F206	S167-E193 WeakPolarHBondContact CB-OE2 3.29Å; S167-E193 PolarHBondContact OG-OE2 3.06Å; S167-F206 PolarHBondContact N-O 3.34Å
168	A	94.8	Very high	93.8	Very high	9 Å²	9	43.8 Å²	43.8	7%	0.074	24%	0.236	C	C	.	.			trans	-150.7	148.5	168.4	0	0	0	0	0	109.9	C170 Q171 F185	A168-C170 PolarHBondContact O-N 3.32Å; A168-Q171 VanDerWaalsContact O-CB 3.26Å; A168-Q171 WeakPolarHBondContact O-CB 3.27Å; A168-Q171 WeakPolarHBondContact O-CG 3.5Å; A168-Q171 PolarHBondContact O-N 2.81Å; A168-Q171 VanDerWaalsContact O-N 3.07Å; A168-F185 HydrophobicContact CB-CE1 3.92Å; A168-F185 HydrophobicContact CB-CZ 4.46Å
169	L	95.1	Very high	93.4	Very high	14 Å²	14	42 Å²	42	7%	0.073	23%	0.228	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61	-34.9	177.8	-174.3	69.5	0	0	0	112.4	Q171 P208 A209 E275 V277 D340 L342	L169-Q171 PolarHBondContact O-N 3.09Å; L169-P208 WeakPolarHBondContact CB-O 3.48Å; L169-P208 PolarHBondContact N-O 2.85Å; L169-A209 HydrophobicContact CD2-CB 3.96Å; L169-E275 HydrophobicContact CD1-CB 4.13Å; L169-E275 HydrophobicContact CD1-CG 3.76Å; L169-V277 HydrophobicContact CD2-CG1 3.7Å; L169-D340 HydrophobicContact CD2-CB 3.94Å; L169-L342 HydrophobicContact CD1-CD2 4.34Å
170	C	92.1	Very high	93	Very high	22 Å²	22	44.2 Å²	44.2	15%	0.149	22%	0.218	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.8	8.9	176.8	62.1	0	0	0	0	114.6	A168 N172 M186	A168-C170 PolarHBondContact O-N 3.32Å; C170-N172 PolarHBondContact O-N 3.14Å; C170-M186 HydrophobicContact CB-CE 4.18Å; C170-M186 HydrophobicContact CB-CG 4.32Å; C170-M186 WeakPolarHBondContact O-CB 3.47Å; C170-M186 WeakPolarHBondContact O-CG 3.35Å
171	Q	91.9	Very high	92.8	Very high	43 Å²	43	51 Å²	51	20%	0.201	25%	0.246	C	C	.	.			trans	-58.8	129.3	175.4	71.5	80.6	14.3	0	0	110.2	A168 L169 K189 A190 R207	A168-Q171 VanDerWaalsContact O-CB 3.26Å; A168-Q171 WeakPolarHBondContact O-CB 3.27Å; A168-Q171 WeakPolarHBondContact O-CG 3.5Å; A168-Q171 PolarHBondContact O-N 2.81Å; A168-Q171 VanDerWaalsContact O-N 3.07Å; L169-Q171 PolarHBondContact O-N 3.09Å; Q171-K189 HydrophobicContact CB-CB 4.09Å; Q171-A190 HydrophobicContact CB-CB 4.26Å; Q171-A190 VanDerWaalsContact OE1-CA 3.31Å; Q171-R207 VanDerWaalsContact NE2-CZ 3.25Å
172	N	92.8	Very high	92.7	Very high	69 Å²	69	50.4 Å²	50.4	37%	0.369	24%	0.244	S	C	.	.			trans	-160.7	133.7	176.5	-175.1	-15.1	0	0	0	108.3	C170 N174 P175 M186 V187	C170-N172 PolarHBondContact O-N 3.14Å; N172-N174 VanDerWaalsContact C-N 3.34Å; N172-N174 PolarHBondContact OD1-N 3.43Å; N172-P175 HydrophobicContact CB-CB 4.32Å; N172-P175 WeakPolarHBondContact O-CD 3.17Å; N172-M186 PolarHBondContact N-O 3.27Å; N172-M186 CarbonylContact O-C 3.56Å; N172-V187 WeakPolarHBondContact O-CA 3.09Å; N172-V187 PolarHBondContact O-N 3.49Å
173	K	92.7	Very high	92.6	Very high	92 Å²	92	49.8 Å²	49.8	40%	0.4	24%	0.241	S	C	.	.	S	Bend	trans	-66	-34.2	174.9	-72.1	179.4	163.7	178.9	0	113.4	P175 V187 A190 E194	K173-P175 VanDerWaalsContact C-CD 3.45Å; K173-P175 WeakPolarHBondContact O-CD 3.49Å; K173-V187 WeakPolarHBondContact O-CG2 3.39Å; K173-A190 HydrophobicContact CG-CB 3.92Å; K173-E194 WeakPolarHBondContact CE-OE1 3.29Å; K173-E194 WeakPolarHBondContact CE-OE2 3.39Å; K173-E194 IonicContact NZ-OE1 3.07Å; K173-E194 PolarHBondContact NZ-OE1 3.19Å; K173-E194 IonicContact NZ-OE2 2.92Å; K173-E194 PolarHBondContact NZ-OE2 2.64Å
174	N	92.5	Very high	92.5	Very high	139 Å²	139	53.9 Å²	53.9	74%	0.743	26%	0.256	S	S	*	.	S	Bend	trans	-124.7	63.7	-177	-65.1	-40.8	0	0	0	109.6	N172	N172-N174 VanDerWaalsContact C-N 3.34Å; N172-N174 PolarHBondContact OD1-N 3.43Å
175	P	91.3	Very high	92.3	Very high	3 Å²	3	55 Å²	55	2%	0.019	26%	0.261	C	S	.	.	P	Polyproline II helix	trans	-69	144.6	-177.1	31.1	-34	0	0	0	109.7	N172 K173 H182 M186 V187	N172-P175 HydrophobicContact CB-CB 4.32Å; N172-P175 WeakPolarHBondContact O-CD 3.17Å; K173-P175 VanDerWaalsContact C-CD 3.45Å; K173-P175 WeakPolarHBondContact O-CD 3.49Å; P175-H182 HydrophobicContact CG-CB 4.19Å; P175-H182 PolarHBondContact O-ND1 2.99Å; P175-M186 HydrophobicContact CB-CB 4.15Å; P175-M186 HydrophobicContact CB-SD 3.61Å; P175-M186 HydrophobicContact CG-CB 4.2Å; P175-M186 HydrophobicContact CG-SD 4.42Å; P175-V187 HydrophobicContact CG-CG2 3.75Å
176	P	90.6	Very high	92.1	Very high	66 Å²	66	55.1 Å²	55.1	43%	0.429	26%	0.262	S	S	.	.	P	Polyproline II helix	trans	-59.6	153.6	169.6	27	-35.5	0	0	0	111.2	Y178	P176-Y178 HydrophobicContact CB-CE2 4.41Å; P176-Y178 HydrophobicContact CG-CE1 4.34Å; P176-Y178 HydrophobicContact CG-CE2 3.77Å; P176-Y178 WeakPolarHBondContact CG-OH 3.13Å
177	K	91.3	Very high	92.1	Very high	122 Å²	122	56.5 Å²	56.5	53%	0.53	27%	0.27	S	S	.	.	P	Polyproline II helix	trans	-95.4	127	173.3	163.7	180	158	166.5	0	109	R180	K177-R180 WeakPolarHBondContact CE-O 3.45Å; K177-R180 PolarHBondContact NZ-O 2.9Å
178	Y	87.5	Confident	92.1	Very high	50 Å²	50	56.3 Å²	56.3	20%	0.196	27%	0.269	C	S	.	.	S	Bend	trans	-104.3	-48.3	179	-59.5	-78.4	0	0	0	112.2	P176 W240 E334 A338	P176-Y178 HydrophobicContact CB-CE2 4.41Å; P176-Y178 HydrophobicContact CG-CE1 4.34Å; P176-Y178 HydrophobicContact CG-CE2 3.77Å; P176-Y178 WeakPolarHBondContact CG-OH 3.13Å; Y178-W240 AromaticContact CD1-CD2 3.92Å; Y178-W240 HydrophobicContact CD1-CD2 3.92Å; Y178-W240 AromaticContact CD1-CE2 3.74Å; Y178-W240 AromaticContact CD1-CE3 3.93Å; Y178-W240 HydrophobicContact CD1-CE3 3.93Å; Y178-W240 AromaticContact CD1-CH2 3.66Å; Y178-W240 HydrophobicContact CD1-CH2 3.66Å; Y178-W240 AromaticContact CD1-CZ2 3.64Å; Y178-W240 HydrophobicContact CD1-CZ2 3.64Å; Y178-W240 AromaticContact CD1-CZ3 3.8Å; Y178-W240 HydrophobicContact CD1-CZ3 3.8Å; Y178-W240 HydrophobicContact CE1-CE3 4.5Å; Y178-W240 HydrophobicContact CE1-CH2 4.01Å; Y178-W240 HydrophobicContact CE1-CZ2 4.41Å; Y178-W240 HydrophobicContact CE1-CZ3 4.05Å; Y178-W240 HydrophobicContact CG-CD2 4.45Å; Y178-W240 VanDerWaalsContact O-CD1 3.28Å; Y178-W240 PolarHBondContact O-NE1 3.01Å; Y178-E334 WeakPolarHBondContact CA-OE2 3.24Å; Y178-E334 VanDerWaalsContact CB-OE2 3.32Å; Y178-E334 WeakPolarHBondContact CB-OE2 3.37Å; Y178-E334 PolarHBondContact N-OE2 3.26Å; Y178-A338 HydrophobicContact CE2-CB 3.77Å; Y178-A338 WeakPolarHBondContact OH-CA 3.47Å
179	V	86.8	Confident	92.2	Very high	31 Å²	31	56.4 Å²	56.4	19%	0.188	27%	0.267	C	S	.	.	S	Bend	trans	-111.2	-55.1	-167.8	-175.3	0	0	0	0	113.1	L312 F330 L333 E334	V179-L312 HydrophobicContact CG1-CD2 3.58Å; V179-F330 HydrophobicContact CG1-CD1 4.33Å; V179-L333 HydrophobicContact CG1-CD1 4.5Å; V179-L333 HydrophobicContact CG2-CB 4.14Å; V179-E334 WeakPolarHBondContact CA-OE1 3.49Å; V179-E334 WeakPolarHBondContact CB-OE1 3.42Å; V179-E334 PolarHBondContact N-OE1 3.01Å; V179-E334 VanDerWaalsContact N-OE1 3.13Å; V179-E334 PolarHBondContact N-OE2 3.45Å
180	R	86	Confident	92.2	Very high	105 Å²	105	55.9 Å²	55.9	40%	0.396	27%	0.265	S	S	.	.	S	Bend	trans	-142.9	-46.6	-170.5	-166.2	-176.1	179.4	170.2	2.5	112.9	K177 F330 E334	K177-R180 WeakPolarHBondContact CE-O 3.45Å; K177-R180 PolarHBondContact NZ-O 2.9Å; R180-F330 HydrophobicContact CB-CD1 4.07Å; R180-F330 HydrophobicContact CB-CE1 4.47Å; R180-E334 PolarHBondContact N-OE1 3.41Å
181	K	90.1	Very high	92.5	Very high	147 Å²	147	57.4 Å²	57.4	64%	0.639	27%	0.271	S	S	*	.	S	Bend	trans	-149.1	162	-173.3	-70.4	-168.5	177.4	-171.4	0	110.9	E334	K181-E334 PolarHBondContact N-OE1 3.16Å; K181-E334 VanDerWaalsContact O-CG 3.28Å; K181-E334 WeakPolarHBondContact O-CG 3.42Å
182	H	91.5	Very high	92.7	Very high	109 Å²	109	55.4 Å²	55.4	51%	0.505	26%	0.262	S	S	.	.			trans	-60.9	136.4	168.3	-57.8	-78.2	0	0	0	110.2	P175 R184	P175-H182 HydrophobicContact CG-CB 4.19Å; P175-H182 PolarHBondContact O-ND1 2.99Å; H182-R184 PolarHBondContact O-N 3.22Å
183	S	93	Very high	92.9	Very high	1 Å²	1	52.5 Å²	52.5	1%	0.007	25%	0.247	C	C	.	.			trans	-64.4	116.7	179.3	168.1	0	0	0	0	110.8	F185 M186 V187 E331	S183-F185 VanDerWaalsContact C-N 3.25Å; S183-F185 PolarHBondContact O-N 2.93Å; S183-F185 PolarHBondContact OG-N 3.41Å; S183-M186 PolarHBondContact O-N 2.88Å; S183-M186 WeakPolarHBondContact OG-CG 3.49Å; S183-M186 PolarHBondContact OG-N 3.01Å; S183-V187 WeakPolarHBondContact O-CG2 3.48Å; S183-V187 PolarHBondContact O-N 2.91Å; S183-E331 VanDerWaalsContact C-OE1 3.27Å; S183-E331 VanDerWaalsContact CA-OE1 3.22Å; S183-E331 WeakPolarHBondContact CA-OE1 3.41Å; S183-E331 VanDerWaalsContact CB-OE1 3.28Å; S183-E331 WeakPolarHBondContact CB-OE1 3.42Å; S183-E331 PolarHBondContact OG-OE1 3.48Å
184	R	93.7	Very high	93.1	Very high	89 Å²	89	52.1 Å²	52.1	34%	0.336	25%	0.246	S	C	.	.	H	α-helix	trans	-68.3	-28.7	175	-75.2	168.9	60	-144.1	-3.8	111.5	D134 E141 H182 S188 E331	D134-R184 IonicContact OD1-CZ 3.28Å; D134-R184 IonicContact OD1-NH1 3.95Å; D134-R184 IonicContact OD1-NH2 3.7Å; D134-R184 PolarHBondContact OD1-NH2 3.44Å; D134-R184 IonicContact OD2-CZ 3.68Å; D134-R184 IonicContact OD2-NH1 2.77Å; D134-R184 PolarHBondContact OD2-NH1 3.33Å; D134-R184 IonicContact OD2-NH2 3.76Å; D134-R184 PolarHBondContact OD2-NH2 3.02Å; E141-R184 VanDerWaalsContact CD-NH2 3.27Å; E141-R184 IonicContact OE1-CZ 2.82Å; E141-R184 VanDerWaalsContact OE1-CZ 3.23Å; E141-R184 IonicContact OE1-NE 3.69Å; E141-R184 PolarHBondContact OE1-NE 3.07Å; E141-R184 IonicContact OE1-NH2 3.81Å; E141-R184 PolarHBondContact OE1-NH2 2.84Å; E141-R184 IonicContact OE2-CZ 2.76Å; E141-R184 IonicContact OE2-NH2 3.08Å; E141-R184 PolarHBondContact OE2-NH2 3.16Å; H182-R184 PolarHBondContact O-N 3.22Å; R184-S188 WeakPolarHBondContact O-CB 3.33Å; R184-S188 PolarHBondContact O-N 2.9Å; R184-S188 PolarHBondContact O-OG 3.29Å; R184-E331 VanDerWaalsContact N-CD 3.35Å; R184-E331 PolarHBondContact N-OE1 3.27Å; R184-E331 PolarHBondContact N-OE2 2.89Å
185	F	93.7	Very high	93.3	Very high	24 Å²	24	47.3 Å²	47.3	11%	0.105	22%	0.219	C	C	.	.	H	α-helix	trans	-60.8	-49.6	174.1	-176.8	-86.7	0	0	0	111.6	T131 H144 A168 S183 S188 K189 E331	T131-F185 WeakPolarHBondContact O-CD2 3.39Å; H144-F185 AromaticContact CE1-CD2 3.57Å; H144-F185 AromaticContact CE1-CE2 3.58Å; A168-F185 HydrophobicContact CB-CE1 3.92Å; A168-F185 HydrophobicContact CB-CZ 4.46Å; S183-F185 VanDerWaalsContact C-N 3.25Å; S183-F185 PolarHBondContact O-N 2.93Å; S183-F185 PolarHBondContact OG-N 3.41Å; F185-S188 PolarHBondContact O-OG 3Å; F185-S188 VanDerWaalsContact O-OG 3.08Å; F185-K189 HydrophobicContact CD1-CG 4.46Å; F185-K189 HydrophobicContact CE1-CG 4.09Å; F185-K189 HydrophobicContact CZ-CG 4.14Å; F185-K189 WeakPolarHBondContact O-CB 3.31Å; F185-K189 WeakPolarHBondContact O-CG 3.44Å; F185-K189 PolarHBondContact O-N 3.35Å; F185-E331 HydrophobicContact CB-CG 4.21Å; F185-E331 WeakPolarHBondContact CB-OE1 3.46Å; F185-E331 PolarHBondContact N-OE1 2.83Å
186	M	94.6	Very high	93.6	Very high	6 Å²	6	47.2 Å²	47.2	3%	0.03	22%	0.219	C	C	.	.	H	α-helix	trans	-62.7	-44.5	179.5	-65.5	175.5	-167.4	0	0	112.3	C170 N172 P175 S183 A190 R335 A338	C170-M186 HydrophobicContact CB-CE 4.18Å; C170-M186 HydrophobicContact CB-CG 4.32Å; C170-M186 WeakPolarHBondContact O-CB 3.47Å; C170-M186 WeakPolarHBondContact O-CG 3.35Å; N172-M186 PolarHBondContact N-O 3.27Å; N172-M186 CarbonylContact O-C 3.56Å; P175-M186 HydrophobicContact CB-CB 4.15Å; P175-M186 HydrophobicContact CB-SD 3.61Å; P175-M186 HydrophobicContact CG-CB 4.2Å; P175-M186 HydrophobicContact CG-SD 4.42Å; S183-M186 PolarHBondContact O-N 2.88Å; S183-M186 WeakPolarHBondContact OG-CG 3.49Å; S183-M186 PolarHBondContact OG-N 3.01Å; M186-A190 WeakPolarHBondContact O-CB 3.39Å; M186-A190 PolarHBondContact O-N 3.24Å; M186-R335 HydrophobicContact CE-CB 4.15Å; M186-R335 HydrophobicContact CE-CG 3.91Å; M186-A338 HydrophobicContact CE-CB 3.56Å
187	V	96	Very high	93.9	Very high	40 Å²	40	46.5 Å²	46.5	24%	0.242	21%	0.211	C	C	.	.	H	α-helix	trans	-66.5	-48	180	179.1	0	0	0	0	111.1	N172 K173 P175 S183 K189 A190 I191	N172-V187 WeakPolarHBondContact O-CA 3.09Å; N172-V187 PolarHBondContact O-N 3.49Å; K173-V187 WeakPolarHBondContact O-CG2 3.39Å; P175-V187 HydrophobicContact CG-CG2 3.75Å; S183-V187 WeakPolarHBondContact O-CG2 3.48Å; S183-V187 PolarHBondContact O-N 2.91Å; V187-K189 VanDerWaalsContact C-N 3.35Å; V187-K189 PolarHBondContact O-N 3.14Å; V187-A190 PolarHBondContact O-N 2.91Å; V187-I191 HydrophobicContact CG1-CD1 3.74Å; V187-I191 HydrophobicContact CG1-CG1 4.45Å; V187-I191 WeakPolarHBondContact O-CG1 3.12Å; V187-I191 PolarHBondContact O-N 3.41Å
188	S	96.6	Very high	94.1	Very high	2 Å²	2	48.2 Å²	48.2	1%	0.014	21%	0.214	C	C	.	.	H	α-helix	trans	-67	-33	-179.2	60.8	0	0	0	0	113.1	I140 H144 R184 F185 G192	I140-S188 WeakPolarHBondContact CG2-OG 3.43Å; H144-S188 PolarHBondContact ND1-OG 2.86Å; R184-S188 WeakPolarHBondContact O-CB 3.33Å; R184-S188 PolarHBondContact O-N 2.9Å; R184-S188 PolarHBondContact O-OG 3.29Å; F185-S188 PolarHBondContact O-OG 3Å; F185-S188 VanDerWaalsContact O-OG 3.08Å; S188-G192 PolarHBondContact O-N 2.78Å
189	K	96.1	Very high	94.5	Very high	10 Å²	10	48.1 Å²	48.1	4%	0.043	22%	0.215	C	C	.	.	H	α-helix	trans	-68	-41.3	170.9	-79.4	-66.5	-169.8	176.3	0	112	V166 Q171 F185 V187 G192 E193	V166-K189 PolarHBondContact O-NZ 3.47Å; Q171-K189 HydrophobicContact CB-CB 4.09Å; F185-K189 HydrophobicContact CD1-CG 4.46Å; F185-K189 HydrophobicContact CE1-CG 4.09Å; F185-K189 HydrophobicContact CZ-CG 4.14Å; F185-K189 WeakPolarHBondContact O-CB 3.31Å; F185-K189 WeakPolarHBondContact O-CG 3.44Å; F185-K189 PolarHBondContact O-N 3.35Å; V187-K189 VanDerWaalsContact C-N 3.35Å; V187-K189 PolarHBondContact O-N 3.14Å; K189-G192 PolarHBondContact O-N 2.99Å; K189-E193 WeakPolarHBondContact O-CB 3.46Å; K189-E193 PolarHBondContact O-N 3.19Å
190	A	96.1	Very high	94.9	Very high	3 Å²	3	47.2 Å²	47.2	3%	0.025	21%	0.209	C	C	.	.	H	α-helix	trans	-62.7	-44.5	176.3	0	0	0	0	0	112.8	Q171 K173 M186 V187 E194	Q171-A190 HydrophobicContact CB-CB 4.26Å; Q171-A190 VanDerWaalsContact OE1-CA 3.31Å; K173-A190 HydrophobicContact CG-CB 3.92Å; M186-A190 WeakPolarHBondContact O-CB 3.39Å; M186-A190 PolarHBondContact O-N 3.24Å; V187-A190 PolarHBondContact O-N 2.91Å; A190-E194 PolarHBondContact O-N 3.43Å
191	I	97.4	Very high	95.3	Very high	55 Å²	55	46.8 Å²	46.8	28%	0.282	22%	0.219	S	C	.	.	H	α-helix	trans	-69.6	-43	177	-61.8	168.5	0	0	0	110.6	I145 V187 E193 E194 E195	I145-I191 HydrophobicContact CD1-CB 3.94Å; I145-I191 HydrophobicContact CD1-CD1 4.34Å; I145-I191 HydrophobicContact CD1-CG2 3.74Å; I145-I191 HydrophobicContact CG1-CB 4.18Å; I145-I191 HydrophobicContact CG1-CG2 4.03Å; I145-I191 HydrophobicContact CG2-CG2 4.07Å; V187-I191 HydrophobicContact CG1-CD1 3.74Å; V187-I191 HydrophobicContact CG1-CG1 4.45Å; V187-I191 WeakPolarHBondContact O-CG1 3.12Å; V187-I191 PolarHBondContact O-N 3.41Å; I191-E193 VanDerWaalsContact C-N 3.27Å; I191-E193 PolarHBondContact O-N 3.33Å; I191-E194 PolarHBondContact O-N 3.3Å; I191-E195 HydrophobicContact CG2-CG 4.27Å; I191-E195 WeakPolarHBondContact O-CG 3.17Å; I191-E195 PolarHBondContact O-N 2.62Å
192	G	96.9	Very high	95.5	Very high	1 Å²	1	42.4 Å²	42.4	1%	0.01	20%	0.203	C	C	.	.	H	α-helix	trans	-59.4	-37.6	177.2	0	0	0	0	0	113.1	H144 S188 K189 E195 V196	H144-G192 VanDerWaalsContact O-CA 3.29Å; H144-G192 WeakPolarHBondContact O-CA 3.21Å; S188-G192 PolarHBondContact O-N 2.78Å; K189-G192 PolarHBondContact O-N 2.99Å; G192-E195 PolarHBondContact O-N 2.93Å; G192-V196 VanDerWaalsContact O-CG2 3.29Å; G192-V196 WeakPolarHBondContact O-CG2 3.45Å; G192-V196 PolarHBondContact O-N 2.74Å
193	E	96.6	Very high	95.8	Very high	8 Å²	8	37.2 Å²	37.2	4%	0.037	18%	0.179	C	C	.	.	H	α-helix	trans	-62.6	-45.4	174.6	-158.9	179.2	113.6	0	0	111.9	S167 K189 I191 V196 L197 I205 R207	S167-E193 WeakPolarHBondContact CB-OE2 3.29Å; S167-E193 PolarHBondContact OG-OE2 3.06Å; K189-E193 WeakPolarHBondContact O-CB 3.46Å; K189-E193 PolarHBondContact O-N 3.19Å; I191-E193 VanDerWaalsContact C-N 3.27Å; I191-E193 PolarHBondContact O-N 3.33Å; E193-V196 PolarHBondContact O-N 3.26Å; E193-L197 WeakPolarHBondContact O-CG 3.26Å; E193-L197 PolarHBondContact O-N 2.86Å; E193-I205 HydrophobicContact CG-CD1 3.59Å; E193-I205 HydrophobicContact CG-CG2 3.88Å; E193-R207 IonicContact OE1-CZ 2.75Å; E193-R207 VanDerWaalsContact OE1-CZ 3.24Å; E193-R207 IonicContact OE1-NE 3.85Å; E193-R207 PolarHBondContact OE1-NE 3.11Å; E193-R207 IonicContact OE1-NH2 3.93Å; E193-R207 PolarHBondContact OE1-NH2 2.86Å; E193-R207 IonicContact OE2-NE 3.91Å; E193-R207 PolarHBondContact OE2-NE 2.72Å; E193-R207 VanDerWaalsContact OE2-NE 3.1Å
194	E	96.7	Very high	96	Very high	84 Å²	84	37.1 Å²	37.1	39%	0.393	18%	0.178	S	C	.	.	H	α-helix	trans	-66.4	-38.9	176.1	-78	-171.3	170.8	0	0	113.7	K173 A190 I191 V196 L197 R198	K173-E194 WeakPolarHBondContact CE-OE1 3.29Å; K173-E194 WeakPolarHBondContact CE-OE2 3.39Å; K173-E194 IonicContact NZ-OE1 3.07Å; K173-E194 PolarHBondContact NZ-OE1 3.19Å; K173-E194 IonicContact NZ-OE2 2.92Å; K173-E194 PolarHBondContact NZ-OE2 2.64Å; A190-E194 PolarHBondContact O-N 3.43Å; I191-E194 PolarHBondContact O-N 3.3Å; E194-V196 VanDerWaalsContact C-N 3.34Å; E194-L197 PolarHBondContact O-N 3.32Å; E194-R198 WeakPolarHBondContact O-CB 3.39Å; E194-R198 PolarHBondContact O-N 2.94Å
195	E	97.1	Very high	96.1	Very high	38 Å²	38	32.9 Å²	32.9	18%	0.178	16%	0.162	C	C	.	.	H	α-helix	trans	-68.5	-34.6	177	-65.1	-56.7	143.9	0	0	111.7	I145 I191 G192 R198 E199	I145-E195 HydrophobicContact CG2-CG 4Å; I191-E195 HydrophobicContact CG2-CG 4.27Å; I191-E195 WeakPolarHBondContact O-CG 3.17Å; I191-E195 PolarHBondContact O-N 2.62Å; G192-E195 PolarHBondContact O-N 2.93Å; E195-R198 IonicContact OE1-CZ 2.66Å; E195-R198 IonicContact OE1-NH1 3.24Å; E195-R198 PolarHBondContact OE1-NH1 2.88Å; E195-R198 IonicContact OE1-NH2 3.33Å; E195-R198 PolarHBondContact OE1-NH2 2.95Å; E195-R198 IonicContact OE2-CZ 3.39Å; E195-R198 IonicContact OE2-NH1 2.67Å; E195-R198 PolarHBondContact OE2-NH1 3.42Å; E195-R198 IonicContact OE2-NH2 3.21Å; E195-E199 PolarHBondContact O-N 2.71Å
196	V	97.2	Very high	96.3	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.006	16%	0.157	C	C	.	.	H	α-helix	trans	-64.4	-46.7	171	169.2	0	0	0	0	110.9	A148 A152 L163 H165 G192 E193 E194 R198 E199 R200 A203	A148-V196 HydrophobicContact CB-CG2 3.75Å; A152-V196 HydrophobicContact CB-CG1 4.32Å; A152-V196 HydrophobicContact CB-CG2 4.34Å; L163-V196 HydrophobicContact CD2-CG1 4.11Å; H165-V196 HydrophobicContact CB-CG1 4.14Å; G192-V196 VanDerWaalsContact O-CG2 3.29Å; G192-V196 WeakPolarHBondContact O-CG2 3.45Å; G192-V196 PolarHBondContact O-N 2.74Å; E193-V196 PolarHBondContact O-N 3.26Å; E194-V196 VanDerWaalsContact C-N 3.34Å; V196-R198 VanDerWaalsContact C-N 3.33Å; V196-R198 PolarHBondContact O-N 3.35Å; V196-E199 PolarHBondContact O-N 3.28Å; V196-R200 PolarHBondContact O-N 3.06Å; V196-A203 HydrophobicContact CG1-CB 4.03Å
197	L	96.5	Very high	96.4	Very high	50 Å²	50	32.1 Å²	32.1	26%	0.262	16%	0.158	S	C	.	.	H	α-helix	trans	-65.9	-32.7	177.8	-71.8	171.9	0	0	0	113.1	E193 E194 R200 P201 I205 I273	E193-L197 WeakPolarHBondContact O-CG 3.26Å; E193-L197 PolarHBondContact O-N 2.86Å; E194-L197 PolarHBondContact O-N 3.32Å; L197-R200 CarbonylContact O-C 3.18Å; L197-R200 VanDerWaalsContact O-C 3.32Å; L197-P201 WeakPolarHBondContact O-CA 3.4Å; L197-P201 VanDerWaalsContact O-N 3.12Å; L197-I205 HydrophobicContact CD1-CD1 4.03Å; L197-I205 HydrophobicContact CD2-CD1 3.62Å; L197-I205 HydrophobicContact CD2-CG1 4.4Å; L197-I205 HydrophobicContact CG-CD1 3.6Å; L197-I273 HydrophobicContact CD1-CD1 4.5Å
198	R	96.6	Very high	96.5	Very high	159 Å²	159	30.7 Å²	30.7	60%	0.6	15%	0.15	S	C	*	.	H	α-helix	trans	-65.1	-43.3	175.2	-175.8	-176.8	-62.8	147.2	14.3	111.7	E194 E195 V196	E194-R198 WeakPolarHBondContact O-CB 3.39Å; E194-R198 PolarHBondContact O-N 2.94Å; E195-R198 IonicContact OE1-CZ 2.66Å; E195-R198 IonicContact OE1-NH1 3.24Å; E195-R198 PolarHBondContact OE1-NH1 2.88Å; E195-R198 IonicContact OE1-NH2 3.33Å; E195-R198 PolarHBondContact OE1-NH2 2.95Å; E195-R198 IonicContact OE2-CZ 3.39Å; E195-R198 IonicContact OE2-NH1 2.67Å; E195-R198 PolarHBondContact OE2-NH1 3.42Å; E195-R198 IonicContact OE2-NH2 3.21Å; V196-R198 VanDerWaalsContact C-N 3.33Å; V196-R198 PolarHBondContact O-N 3.35Å
199	E	95.8	Very high	96.4	Very high	47 Å²	47	30.9 Å²	30.9	22%	0.22	15%	0.152	C	C	.	.	H	α-helix	trans	-72.5	-46.4	176.1	-72	-65.8	169.9	0	0	111.2	A152 R153 K156 E195 V196	A152-E199 HydrophobicContact CB-CB 3.74Å; A152-E199 HydrophobicContact CB-CG 4.41Å; R153-E199 HydrophobicContact CB-CG 4.21Å; K156-E199 VanDerWaalsContact CD-O 3.31Å; K156-E199 WeakPolarHBondContact CD-O 3.16Å; K156-E199 WeakPolarHBondContact CE-O 3.47Å; K156-E199 PolarHBondContact NZ-O 3.22Å; E195-E199 PolarHBondContact O-N 2.71Å; V196-E199 PolarHBondContact O-N 3.28Å
200	R	94	Very high	96.4	Very high	13 Å²	13	31.3 Å²	31.3	5%	0.049	15%	0.154	C	C	.	.			trans	-133.9	92.5	-176.6	-76	-159.6	73.6	152	2.6	111.7	S155 K156 V160 L163 V196 L197 D202 A203	S155-R200 PolarHBondContact O-NH1 2.96Å; S155-R200 WeakPolarHBondContact OG-CD 3.23Å; S155-R200 PolarHBondContact OG-NH1 2.86Å; S155-R200 VanDerWaalsContact OG-NH1 3.16Å; K156-R200 HydrophobicContact CB-CG 4.07Å; K156-R200 HydrophobicContact CD-CG 4.43Å; V160-R200 VanDerWaalsContact O-CZ 3.31Å; V160-R200 PolarHBondContact O-NH1 3.44Å; V160-R200 PolarHBondContact O-NH2 2.89Å; L163-R200 HydrophobicContact CD2-CB 4.35Å; V196-R200 PolarHBondContact O-N 3.06Å; L197-R200 CarbonylContact O-C 3.18Å; L197-R200 VanDerWaalsContact O-C 3.32Å; R200-D202 WeakPolarHBondContact CA-OD1 3.39Å; R200-D202 VanDerWaalsContact CB-OD1 3.27Å; R200-D202 WeakPolarHBondContact CB-OD1 3.22Å; R200-D202 IonicContact CZ-OD1 3.12Å; R200-D202 IonicContact CZ-OD2 2.75Å; R200-D202 IonicContact NE-OD1 2.77Å; R200-D202 PolarHBondContact NE-OD1 3.23Å; R200-D202 VanDerWaalsContact NE-OD1 3.1Å; R200-D202 IonicContact NE-OD2 3.74Å; R200-D202 PolarHBondContact NE-OD2 3.07Å; R200-D202 IonicContact NH2-OD1 2.87Å; R200-D202 IonicContact NH2-OD2 3.2Å; R200-D202 PolarHBondContact NH2-OD2 3.36Å; R200-D202 PolarHBondContact O-N 3.31Å; R200-A203 HydrophobicContact CB-CB 4.17Å; R200-A203 VanDerWaalsContact O-CB 3.28Å; R200-A203 WeakPolarHBondContact O-CB 3.25Å; R200-A203 PolarHBondContact O-N 3.47Å
201	P	94.9	Very high	96.4	Very high	95 Å²	95	32.9 Å²	32.9	62%	0.617	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.7	-12	176.5	29.8	-36.2	0	0	0	113	L197 G271	L197-P201 WeakPolarHBondContact O-CA 3.4Å; L197-P201 VanDerWaalsContact O-N 3.12Å; P201-G271 WeakPolarHBondContact O-CA 3.3Å
202	D	94.9	Very high	96.3	Very high	55 Å²	55	30.4 Å²	30.4	29%	0.294	15%	0.148	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87	-3.1	175.4	65.1	-44.3	0	0	0	113.6	R200 G271	R200-D202 WeakPolarHBondContact CA-OD1 3.39Å; R200-D202 VanDerWaalsContact CB-OD1 3.27Å; R200-D202 WeakPolarHBondContact CB-OD1 3.22Å; R200-D202 IonicContact CZ-OD1 3.12Å; R200-D202 IonicContact CZ-OD2 2.75Å; R200-D202 IonicContact NE-OD1 2.77Å; R200-D202 PolarHBondContact NE-OD1 3.23Å; R200-D202 VanDerWaalsContact NE-OD1 3.1Å; R200-D202 IonicContact NE-OD2 3.74Å; R200-D202 PolarHBondContact NE-OD2 3.07Å; R200-D202 IonicContact NH2-OD1 2.87Å; R200-D202 IonicContact NH2-OD2 3.2Å; R200-D202 PolarHBondContact NH2-OD2 3.36Å; R200-D202 PolarHBondContact O-N 3.31Å; D202-G271 PolarHBondContact O-N 2.96Å
203	A	96.4	Very high	96.1	Very high	0 Å²	0	30.4 Å²	30.4	0%	0	15%	0.148	C	C	.	.			trans	-66.5	132.3	179.4	0	0	0	0	0	112.4	L163 V196 R200	L163-A203 HydrophobicContact CB-CB 4.21Å; L163-A203 HydrophobicContact CD2-CB 4.12Å; L163-A203 HydrophobicContact CG-CB 4.27Å; L163-A203 CarbonylContact O-C 3.53Å; L163-A203 WeakPolarHBondContact O-CA 3.22Å; V196-A203 HydrophobicContact CG1-CB 4.03Å; R200-A203 HydrophobicContact CB-CB 4.17Å; R200-A203 VanDerWaalsContact O-CB 3.28Å; R200-A203 WeakPolarHBondContact O-CB 3.25Å; R200-A203 PolarHBondContact O-N 3.47Å
204	T	97.2	Very high	95.9	Very high	0 Å²	0	34 Å²	34	0%	0	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	127.7	170.7	-50	0	0	0	0	109.2	Q162 L163 V164 H165 F206 S269 Q272 Y274	Q162-T204 PolarHBondContact NE2-OG1 2.9Å; L163-T204 PolarHBondContact O-N 3.03Å; V164-T204 CarbonylContact C-O 2.98Å; V164-T204 VanDerWaalsContact CA-O 3.3Å; V164-T204 WeakPolarHBondContact CA-O 3.42Å; H165-T204 PolarHBondContact N-O 2.95Å; T204-F206 HydrophobicContact CG2-CD2 4.41Å; T204-F206 HydrophobicContact CG2-CE2 3.83Å; T204-F206 HydrophobicContact CG2-CZ 4.49Å; T204-S269 WeakPolarHBondContact CB-O 3.32Å; T204-S269 WeakPolarHBondContact CG2-O 3.33Å; T204-S269 PolarHBondContact OG1-O 3.43Å; T204-Q272 WeakPolarHBondContact CA-O 3.24Å; T204-Y274 HydrophobicContact CG2-CD2 3.87Å; T204-Y274 HydrophobicContact CG2-CE2 3.8Å
205	I	97.4	Very high	95.4	Very high	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	124.9	-176.3	-55.7	-165.5	0	0	0	110.8	H165 E193 L197 Q272 I273 Y274	H165-I205 HydrophobicContact CB-CG1 4.4Å; H165-I205 WeakPolarHBondContact O-CA 3.39Å; E193-I205 HydrophobicContact CG-CD1 3.59Å; E193-I205 HydrophobicContact CG-CG2 3.88Å; L197-I205 HydrophobicContact CD1-CD1 4.03Å; L197-I205 HydrophobicContact CD2-CD1 3.62Å; L197-I205 HydrophobicContact CD2-CG1 4.4Å; L197-I205 HydrophobicContact CG-CD1 3.6Å; I205-Q272 PolarHBondContact N-O 2.97Å; I205-I273 HydrophobicContact CB-CG1 4.3Å; I205-I273 HydrophobicContact CB-CG2 4.45Å; I205-I273 CarbonylContact O-C 3.6Å; I205-I273 VanDerWaalsContact O-CA 3.32Å; I205-I273 WeakPolarHBondContact O-CA 3.16Å; I205-Y274 PolarHBondContact O-N 2.84Å
206	F	97.4	Very high	95.1	Very high	0 Å²	0	35.4 Å²	35.4	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	126.7	171	-73	-92.9	0	0	0	110.2	V164 H165 V166 S167 T204 P208 L256 I260 S263 Y274 L348 L351	V164-F206 HydrophobicContact CG1-CD2 3.64Å; V164-F206 HydrophobicContact CG1-CE2 3.77Å; H165-F206 PolarHBondContact O-N 3.2Å; V166-F206 HydrophobicContact CG2-CB 4.32Å; S167-F206 PolarHBondContact N-O 3.34Å; T204-F206 HydrophobicContact CG2-CD2 4.41Å; T204-F206 HydrophobicContact CG2-CE2 3.83Å; T204-F206 HydrophobicContact CG2-CZ 4.49Å; F206-P208 VanDerWaalsContact C-CD 3.46Å; F206-P208 WeakPolarHBondContact O-CD 3.25Å; F206-L256 HydrophobicContact CB-CD1 4.43Å; F206-L256 HydrophobicContact CD1-CD1 4.1Å; F206-L256 HydrophobicContact CG-CD1 4.48Å; F206-I260 HydrophobicContact CD1-CG1 4.35Å; F206-I260 HydrophobicContact CD2-CG1 3.86Å; F206-I260 HydrophobicContact CE1-CG1 4.29Å; F206-I260 HydrophobicContact CE2-CB 4.4Å; F206-I260 HydrophobicContact CE2-CG1 3.79Å; F206-I260 HydrophobicContact CG-CG1 4.14Å; F206-I260 HydrophobicContact CZ-CG1 4.02Å; F206-S263 WeakPolarHBondContact CE2-OG 3.39Å; F206-S263 WeakPolarHBondContact CZ-OG 3.48Å; F206-Y274 HydrophobicContact CE1-CD2 4.12Å; F206-Y274 HydrophobicContact CE1-CG 4.1Å; F206-Y274 HydrophobicContact CE2-CD2 4.45Å; F206-Y274 HydrophobicContact CZ-CD2 4.02Å; F206-Y274 HydrophobicContact CZ-CG 4.45Å; F206-L348 HydrophobicContact CE1-CD2 4.22Å; F206-L351 HydrophobicContact CE1-CD1 3.69Å; F206-L351 HydrophobicContact CZ-CD1 3.84Å
207	R	96.9	Very high	94.8	Very high	14 Å²	14	43 Å²	43	5%	0.053	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	84.3	170.8	-69.4	-174.2	-172	152.4	6	109.5	Q171 E193 I273 Y274 E275 A276	Q171-R207 VanDerWaalsContact NE2-CZ 3.25Å; E193-R207 IonicContact OE1-CZ 2.75Å; E193-R207 VanDerWaalsContact OE1-CZ 3.24Å; E193-R207 IonicContact OE1-NE 3.85Å; E193-R207 PolarHBondContact OE1-NE 3.11Å; E193-R207 IonicContact OE1-NH2 3.93Å; E193-R207 PolarHBondContact OE1-NH2 2.86Å; E193-R207 IonicContact OE2-NE 3.91Å; E193-R207 PolarHBondContact OE2-NE 2.72Å; E193-R207 VanDerWaalsContact OE2-NE 3.1Å; R207-I273 HydrophobicContact CG-CG2 4.14Å; R207-Y274 PolarHBondContact N-O 3.16Å; R207-E275 HydrophobicContact CB-CG 4.36Å; R207-E275 IonicContact NH1-OE1 3.1Å; R207-A276 PolarHBondContact O-N 2.91Å
208	P	96.7	Very high	94.6	Very high	9 Å²	9	40.7 Å²	40.7	6%	0.058	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	142.7	178.6	30.8	-36.6	0	0	0	112.3	V166 L169 F206 I211 V251 L256 A276	V166-P208 HydrophobicContact CG1-CG 3.76Å; L169-P208 WeakPolarHBondContact CB-O 3.48Å; L169-P208 PolarHBondContact N-O 2.85Å; F206-P208 VanDerWaalsContact C-CD 3.46Å; F206-P208 WeakPolarHBondContact O-CD 3.25Å; P208-I211 HydrophobicContact CB-CD1 4.17Å; P208-I211 HydrophobicContact CB-CG1 4.08Å; P208-I211 HydrophobicContact CG-CD1 4.25Å; P208-V251 HydrophobicContact CB-CG1 4.23Å; P208-L256 HydrophobicContact CB-CD1 4.39Å; P208-L256 HydrophobicContact CB-CD2 3.75Å; P208-L256 HydrophobicContact CG-CD2 4.29Å; P208-A276 WeakPolarHBondContact CA-O 3.36Å; P208-A276 HydrophobicContact CB-CB 4.31Å
209	A	95.6	Very high	94.4	Very high	7 Å²	7	33.1 Å²	33.1	6%	0.058	17%	0.167	C	C	.	.			trans	-65.7	-173.2	160.3	0	0	0	0	0	111.1	L169 I211 Q249 V251 A276 V277	L169-A209 HydrophobicContact CD2-CB 3.96Å; A209-I211 PolarHBondContact O-N 2.83Å; A209-I211 VanDerWaalsContact O-N 3.08Å; A209-Q249 WeakPolarHBondContact CB-O 3.13Å; A209-V251 HydrophobicContact CB-CG1 4.43Å; A209-A276 PolarHBondContact N-O 3.49Å; A209-V277 HydrophobicContact CB-CG1 4.18Å
210	E	95.4	Very high	94.2	Very high	18 Å²	18	31.9 Å²	31.9	8%	0.084	16%	0.163	C	C	.	.	S	Bend	trans	-57.4	116.1	172.8	-69.9	-70.3	169.8	0	0	110.8	F218 K248 P250 V251 R335	E210-F218 HydrophobicContact CB-CD1 4.21Å; E210-F218 HydrophobicContact CB-CD2 3.57Å; E210-F218 HydrophobicContact CB-CE1 4.21Å; E210-F218 HydrophobicContact CB-CE2 3.57Å; E210-F218 HydrophobicContact CB-CG 3.9Å; E210-F218 HydrophobicContact CB-CZ 3.9Å; E210-F218 HydrophobicContact CG-CD2 3.69Å; E210-F218 HydrophobicContact CG-CE2 3.52Å; E210-F218 HydrophobicContact CG-CZ 4.2Å; E210-K248 HydrophobicContact CG-CD 4.29Å; E210-P250 HydrophobicContact CB-CB 4.32Å; E210-P250 CarbonylContact O-C 3.51Å; E210-P250 WeakPolarHBondContact O-CA 3.15Å; E210-P250 VanDerWaalsContact O-CB 3.25Å; E210-P250 WeakPolarHBondContact O-CB 3.37Å; E210-V251 PolarHBondContact O-N 3.2Å; E210-R335 VanDerWaalsContact CD-NH1 3.27Å; E210-R335 IonicContact OE1-CZ 3.71Å; E210-R335 VanDerWaalsContact OE1-CZ 3.28Å; E210-R335 IonicContact OE1-NE 3.12Å; E210-R335 PolarHBondContact OE1-NE 3.03Å; E210-R335 IonicContact OE1-NH1 3.77Å; E210-R335 PolarHBondContact OE1-NH1 2.77Å; E210-R335 IonicContact OE2-CZ 2.64Å; E210-R335 IonicContact OE2-NE 3.41Å; E210-R335 IonicContact OE2-NH1 2.71Å; E210-R335 PolarHBondContact OE2-NH1 3.21Å
211	I	96.2	Very high	94.1	Very high	36 Å²	36	31.7 Å²	31.7	19%	0.185	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	127	-173.7	-54.4	170.8	0	0	0	109.6	Y63 L64 P208 A209 V251 V253 L256	Y63-I211 HydrophobicContact CE1-CG2 4.18Å; L64-I211 HydrophobicContact CD2-CD1 4.21Å; P208-I211 HydrophobicContact CB-CD1 4.17Å; P208-I211 HydrophobicContact CB-CG1 4.08Å; P208-I211 HydrophobicContact CG-CD1 4.25Å; A209-I211 PolarHBondContact O-N 2.83Å; A209-I211 VanDerWaalsContact O-N 3.08Å; I211-V251 WeakPolarHBondContact CA-O 3.37Å; I211-V251 HydrophobicContact CB-CG1 4.5Å; I211-V251 HydrophobicContact CG1-CG1 3.98Å; I211-V253 HydrophobicContact CG2-CB 3.55Å; I211-V253 HydrophobicContact CG2-CG2 3.87Å; I211-L256 HydrophobicContact CD1-CD2 3.57Å; I211-L256 HydrophobicContact CG1-CD2 4.04Å
212	W	95.7	Very high	94	Very high	4 Å²	4	27.2 Å²	27.2	2%	0.015	13%	0.133	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	157.9	176.2	66.2	-90.6	0	0	0	113.5	D216 L219 P250 V251 C252 V253 R356 K357 L358 H361 I365	W212-D216 WeakPolarHBondContact CA-OD2 3.27Å; W212-L219 HydrophobicContact CB-CD1 3.83Å; W212-L219 HydrophobicContact CB-CG 4.22Å; W212-P250 PolarHBondContact NE1-O 3.32Å; W212-V251 PolarHBondContact N-O 2.99Å; W212-V251 VanDerWaalsContact NE1-C 3.28Å; W212-C252 HydrophobicContact CD2-CB 4.39Å; W212-C252 HydrophobicContact CH2-CB 3.85Å; W212-C252 HydrophobicContact CZ2-CB 3.53Å; W212-C252 HydrophobicContact CZ3-CB 4.4Å; W212-V253 PolarHBondContact O-N 2.95Å; W212-R356 HydrophobicContact CH2-CB 4.43Å; W212-K357 WeakPolarHBondContact CH2-O 3.44Å; W212-L358 HydrophobicContact CD2-CD1 3.68Å; W212-L358 HydrophobicContact CE3-CD1 3.88Å; W212-L358 HydrophobicContact CG-CD1 4.06Å; W212-L358 HydrophobicContact CZ2-CB 4.26Å; W212-L358 HydrophobicContact CZ2-CD1 4.35Å; W212-L358 HydrophobicContact CZ3-CD1 4.32Å; W212-H361 HydrophobicContact CH2-CB 3.89Å; W212-H361 AromaticContact CH2-CD2 3.84Å; W212-H361 HydrophobicContact CZ3-CB 3.61Å; W212-I365 HydrophobicContact CE3-CD1 3.63Å; W212-I365 HydrophobicContact CZ3-CD1 4.04Å
213	G	93.6	Very high	93.7	Very high	1 Å²	1	24.6 Å²	24.6	1%	0.01	12%	0.119	C	C	.	.	S	Bend	trans	159.8	-175.7	179.4	0	0	0	0	0	111.4	Y63 H215 D216 I365	Y63-G213 WeakPolarHBondContact OH-CA 3.41Å; Y63-G213 PolarHBondContact OH-O 2.81Å; G213-H215 PolarHBondContact O-N 2.65Å; G213-D216 WeakPolarHBondContact O-CB 3.41Å; G213-D216 PolarHBondContact O-N 2.99Å; G213-I365 VanDerWaalsContact O-CG2 3.27Å; G213-I365 WeakPolarHBondContact O-CG2 3.36Å
214	P	91.1	Very high	93.3	Very high	83 Å²	83	25 Å²	25	54%	0.539	12%	0.122	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.9	133.8	173.7	-21.1	32.8	0	0	0	110.1	Y63 D216	Y63-P214 WeakPolarHBondContact CE2-O 3.45Å; Y63-P214 PolarHBondContact OH-O 3.4Å; P214-D216 VanDerWaalsContact C-N 3.28Å; P214-D216 PolarHBondContact O-N 3.24Å
215	H	86.6	Confident	92.7	Very high	143 Å²	143	35.2 Å²	35.2	66%	0.662	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	56.8	31.9	-176.8	-50.8	-72.3	0	0	0	115.6	Y63 G213	Y63-H215 WeakPolarHBondContact CE2-O 3.47Å; G213-H215 PolarHBondContact O-N 2.65Å
216	D	91.9	Very high	92	Very high	8 Å²	8	36.5 Å²	36.5	4%	0.043	17%	0.169	C	C	.	.			trans	-64.2	175.9	173.9	78	11.5	0	0	0	113.3	Y63 W212 G213 P214 F218 L219 C220	Y63-D216 HydrophobicContact CE1-CB 4.13Å; W212-D216 WeakPolarHBondContact CA-OD2 3.27Å; G213-D216 WeakPolarHBondContact O-CB 3.41Å; G213-D216 PolarHBondContact O-N 2.99Å; P214-D216 VanDerWaalsContact C-N 3.28Å; P214-D216 PolarHBondContact O-N 3.24Å; D216-F218 PolarHBondContact OD1-N 2.91Å; D216-L219 VanDerWaalsContact CG-N 3.31Å; D216-L219 PolarHBondContact OD1-N 3.04Å; D216-L219 WeakPolarHBondContact OD2-CB 3.36Å; D216-L219 VanDerWaalsContact OD2-CG 3.24Å; D216-L219 WeakPolarHBondContact OD2-CG 3.18Å; D216-L219 PolarHBondContact OD2-N 2.93Å; D216-C220 WeakPolarHBondContact O-CB 3.43Å; D216-C220 WeakPolarHBondContact OD1-CB 3.02Å; D216-C220 PolarHBondContact OD1-N 3.31Å
217	R	89.7	Confident	91.3	Very high	162 Å²	162	36.5 Å²	36.5	61%	0.611	17%	0.169	S	C	*	.	S	Bend	trans	-109.1	24.9	168.9	-63.3	-175	179.9	179.4	-0.4	111.7	E132 Y221 R332	E132-R217 WeakPolarHBondContact OE1-CD 3.34Å; E132-R217 IonicContact OE1-CZ 2.68Å; E132-R217 IonicContact OE1-NE 3Å; E132-R217 IonicContact OE1-NH1 3.79Å; E132-R217 PolarHBondContact OE1-NH1 2.81Å; R217-Y221 WeakPolarHBondContact O-CB 3.27Å; R217-R332 PolarHBondContact O-NH1 3.13Å; R217-R332 PolarHBondContact O-NH2 2.67Å
218	F	92.6	Very high	90.7	Very high	1 Å²	1	36.8 Å²	36.8	0%	0.004	17%	0.17	C	C	.	.	S	Bend	trans	-123.6	-69.1	-175.5	-178.7	-112	0	0	0	110.7	E210 D216 Y221 F222 K248 P250 M287	E210-F218 HydrophobicContact CB-CD1 4.21Å; E210-F218 HydrophobicContact CB-CD2 3.57Å; E210-F218 HydrophobicContact CB-CE1 4.21Å; E210-F218 HydrophobicContact CB-CE2 3.57Å; E210-F218 HydrophobicContact CB-CG 3.9Å; E210-F218 HydrophobicContact CB-CZ 3.9Å; E210-F218 HydrophobicContact CG-CD2 3.69Å; E210-F218 HydrophobicContact CG-CE2 3.52Å; E210-F218 HydrophobicContact CG-CZ 4.2Å; D216-F218 PolarHBondContact OD1-N 2.91Å; F218-Y221 WeakPolarHBondContact O-CB 3.22Å; F218-Y221 PolarHBondContact O-N 2.87Å; F218-F222 AromaticContact CD2-CE2 3.95Å; F218-F222 HydrophobicContact CD2-CE2 3.95Å; F218-F222 AromaticContact CE2-CE2 3.68Å; F218-F222 HydrophobicContact CE2-CE2 3.68Å; F218-F222 HydrophobicContact CZ-CE2 4.19Å; F218-F222 WeakPolarHBondContact O-CD2 3.27Å; F218-F222 PolarHBondContact O-N 3.3Å; F218-F222 VanDerWaalsContact O-N 3.15Å; F218-K248 HydrophobicContact CZ-CB 4.31Å; F218-K248 HydrophobicContact CZ-CG 4.32Å; F218-P250 HydrophobicContact CD1-CB 4.23Å; F218-P250 HydrophobicContact CE1-CB 3.67Å; F218-P250 HydrophobicContact CE1-CG 4.1Å; F218-P250 HydrophobicContact CZ-CB 4.3Å; F218-M287 HydrophobicContact CE1-CE 3.62Å; F218-M287 HydrophobicContact CE1-SD 3.67Å; F218-M287 HydrophobicContact CE2-CE 4.29Å; F218-M287 HydrophobicContact CZ-CE 3.44Å; F218-M287 VanDerWaalsContact CZ-CE 3.44Å; F218-M287 HydrophobicContact CZ-SD 3.75Å
219	L	93.3	Very high	89.9	Confident	0 Å²	0	41.1 Å²	41.1	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-66.6	-48.5	175.6	-56.8	172.4	0	0	0	111.1	W212 D216 Y221 F222 A223 I291 L358 I362 I365	W212-L219 HydrophobicContact CB-CD1 3.83Å; W212-L219 HydrophobicContact CB-CG 4.22Å; D216-L219 VanDerWaalsContact CG-N 3.31Å; D216-L219 PolarHBondContact OD1-N 3.04Å; D216-L219 WeakPolarHBondContact OD2-CB 3.36Å; D216-L219 VanDerWaalsContact OD2-CG 3.24Å; D216-L219 WeakPolarHBondContact OD2-CG 3.18Å; D216-L219 PolarHBondContact OD2-N 2.93Å; L219-Y221 PolarHBondContact O-N 3.16Å; L219-F222 PolarHBondContact O-N 3.29Å; L219-A223 WeakPolarHBondContact O-CB 3.11Å; L219-A223 PolarHBondContact O-N 3.16Å; L219-I291 HydrophobicContact CD2-CD1 3.73Å; L219-I291 HydrophobicContact CD2-CG1 4.27Å; L219-L358 HydrophobicContact CD1-CD1 3.75Å; L219-L358 HydrophobicContact CD2-CD2 4.49Å; L219-I362 HydrophobicContact CD1-CG1 4.33Å; L219-I362 HydrophobicContact CD2-CD1 4.29Å; L219-I365 HydrophobicContact CB-CG2 4.39Å; L219-I365 HydrophobicContact CD1-CD1 3.95Å; L219-I365 HydrophobicContact CD1-CG2 4.19Å
220	C	91.6	Very high	89	Confident	20 Å²	20	44.9 Å²	44.9	14%	0.135	21%	0.21	C	C	.	.	H	α-helix	trans	-62.8	-26.6	175.1	-75.7	0	0	0	0	112.3	D216 S224 H369	D216-C220 WeakPolarHBondContact O-CB 3.43Å; D216-C220 WeakPolarHBondContact OD1-CB 3.02Å; D216-C220 PolarHBondContact OD1-N 3.31Å; C220-S224 WeakPolarHBondContact O-CB 3.09Å; C220-S224 PolarHBondContact O-N 2.84Å; C220-H369 PolarHBondContact SG-NE2 3.08Å; C220-H369 VanDerWaalsContact SG-NE2 3.36Å
221	Y	92	Very high	87.7	Confident	10 Å²	10	52.3 Å²	52.3	4%	0.039	24%	0.238	C	C	.	.	H	α-helix	trans	-68.1	-50.3	173.2	169.3	-102.9	0	0	0	111.7	R217 F218 L219 A223 S224 R227 Y327 R332 E336	R217-Y221 WeakPolarHBondContact O-CB 3.27Å; F218-Y221 WeakPolarHBondContact O-CB 3.22Å; F218-Y221 PolarHBondContact O-N 2.87Å; L219-Y221 PolarHBondContact O-N 3.16Å; Y221-A223 VanDerWaalsContact C-N 3.3Å; Y221-A223 PolarHBondContact O-N 3.34Å; Y221-S224 VanDerWaalsContact O-CB 3.25Å; Y221-S224 WeakPolarHBondContact O-CB 3.45Å; Y221-S224 PolarHBondContact O-N 2.91Å; Y221-S224 VanDerWaalsContact O-N 3.1Å; Y221-S224 PolarHBondContact O-OG 3.06Å; Y221-R227 PolarHBondContact OH-NH1 3Å; Y221-Y327 WeakPolarHBondContact CE2-O 3.37Å; Y221-R332 HydrophobicContact CE1-CG 4.42Å; Y221-R332 HydrophobicContact CE2-CG 4.43Å; Y221-E336 WeakPolarHBondContact CE1-OE2 3.48Å
222	F	92	Very high	86.6	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-65.5	-34.1	176.7	-69.6	-62.1	0	0	0	112.6	F218 L219 S224 L239 L284 M287 V288 I291 Y292 E336	F218-F222 AromaticContact CD2-CE2 3.95Å; F218-F222 HydrophobicContact CD2-CE2 3.95Å; F218-F222 AromaticContact CE2-CE2 3.68Å; F218-F222 HydrophobicContact CE2-CE2 3.68Å; F218-F222 HydrophobicContact CZ-CE2 4.19Å; F218-F222 WeakPolarHBondContact O-CD2 3.27Å; F218-F222 PolarHBondContact O-N 3.3Å; F218-F222 VanDerWaalsContact O-N 3.15Å; L219-F222 PolarHBondContact O-N 3.29Å; F222-S224 VanDerWaalsContact C-N 3.28Å; F222-S224 PolarHBondContact O-N 2.99Å; F222-L239 HydrophobicContact CE1-CD2 4.37Å; F222-L284 HydrophobicContact CE1-CD1 4.45Å; F222-L284 HydrophobicContact CE2-CD1 4.05Å; F222-L284 HydrophobicContact CZ-CD1 3.78Å; F222-M287 HydrophobicContact CD2-CE 3.85Å; F222-M287 HydrophobicContact CE2-CE 3.8Å; F222-V288 HydrophobicContact CB-CG2 4.45Å; F222-V288 HydrophobicContact CD1-CG2 3.88Å; F222-V288 HydrophobicContact CD2-CG2 4.41Å; F222-V288 HydrophobicContact CE1-CG2 4.25Å; F222-V288 HydrophobicContact CG-CG2 3.99Å; F222-I291 HydrophobicContact CB-CD1 4.11Å; F222-I291 HydrophobicContact CD2-CD1 4.42Å; F222-Y292 PolarHBondContact O-OH 3.08Å; F222-E336 HydrophobicContact CZ-CB 4.32Å
223	A	89.5	Confident	85.8	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.9	-10	174.1	0	0	0	0	0	113.8	L219 Y221 R228 I291 H369	L219-A223 WeakPolarHBondContact O-CB 3.11Å; L219-A223 PolarHBondContact O-N 3.16Å; Y221-A223 VanDerWaalsContact C-N 3.3Å; Y221-A223 PolarHBondContact O-N 3.34Å; A223-R228 PolarHBondContact O-NH2 2.78Å; A223-I291 HydrophobicContact CB-CG2 3.94Å; A223-H369 HydrophobicContact CB-CB 3.73Å; A223-H369 VanDerWaalsContact CB-CD2 3.45Å; A223-H369 WeakPolarHBondContact CB-CD2 3.44Å
224	S	87	Confident	85.3	Confident	10 Å²	10	67.2 Å²	67.2	7%	0.07	32%	0.315	C	S	.	.	S	Bend	trans	-67.3	156.3	-177.4	76.6	0	0	0	0	113.3	C220 Y221 F222 R228	C220-S224 WeakPolarHBondContact O-CB 3.09Å; C220-S224 PolarHBondContact O-N 2.84Å; Y221-S224 VanDerWaalsContact O-CB 3.25Å; Y221-S224 WeakPolarHBondContact O-CB 3.45Å; Y221-S224 PolarHBondContact O-N 2.91Å; Y221-S224 VanDerWaalsContact O-N 3.1Å; Y221-S224 PolarHBondContact O-OG 3.06Å; F222-S224 VanDerWaalsContact C-N 3.28Å; F222-S224 PolarHBondContact O-N 2.99Å; S224-R228 PolarHBondContact O-NE 3.39Å
225	R	84.2	Confident	85.2	Confident	213 Å²	213	63.4 Å²	63.4	80%	0.804	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-40.5	174.2	-69.7	-175.7	-180	-179.8	0.1	114	R227 R228	R225-R227 PolarHBondContact O-N 2.85Å; R225-R228 PolarHBondContact O-N 3.39Å; R225-R228 VanDerWaalsContact O-N 3.14Å
226	P	82.6	Confident	85.4	Confident	27 Å²	27	58.8 Å²	58.8	18%	0.175	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-30.9	-179.7	-27.5	36.7	0	0	0	114.3	R228 R314	P226-R228 VanDerWaalsContact C-N 3.28Å; P226-R228 PolarHBondContact O-N 3.23Å; P226-R314 PolarHBondContact O-NH1 3.08Å
227	R	84.3	Confident	85.4	Confident	0 Å²	0	58.4 Å²	58.4	0%	0	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-25.7	178.3	-175.9	51.4	180	-138.5	5.3	113.4	Y221 R225 I237 P238 E336	Y221-R227 PolarHBondContact OH-NH1 3Å; R225-R227 PolarHBondContact O-N 2.85Å; R227-I237 HydrophobicContact CG-CG2 4.3Å; R227-P238 PolarHBondContact NE-O 3.33Å; R227-P238 PolarHBondContact NH2-O 3.18Å; R227-E336 IonicContact CZ-OE1 2.68Å; R227-E336 IonicContact CZ-OE2 3.32Å; R227-E336 IonicContact NH1-OE1 3.92Å; R227-E336 PolarHBondContact NH1-OE1 3.1Å; R227-E336 IonicContact NH1-OE2 3.04Å; R227-E336 PolarHBondContact NH1-OE2 3.4Å; R227-E336 IonicContact NH2-OE1 2.8Å; R227-E336 PolarHBondContact NH2-OE1 2.83Å; R227-E336 IonicContact NH2-OE2 3.79Å; R227-E336 PolarHBondContact NH2-OE2 2.87Å
228	R	83.6	Confident	85.5	Confident	21 Å²	21	50.8 Å²	50.8	8%	0.079	24%	0.238	C	C	.	.			trans	-85.8	145.6	-175.4	-58.6	-179.8	-139.7	-171.8	4.5	111.8	A223 S224 R225 P226 V235 Y292 Y297 R314	A223-R228 PolarHBondContact O-NH2 2.78Å; S224-R228 PolarHBondContact O-NE 3.39Å; R225-R228 PolarHBondContact O-N 3.39Å; R225-R228 VanDerWaalsContact O-N 3.14Å; P226-R228 VanDerWaalsContact C-N 3.28Å; P226-R228 PolarHBondContact O-N 3.23Å; R228-V235 HydrophobicContact CB-CG1 4.19Å; R228-V235 HydrophobicContact CG-CG1 3.88Å; R228-Y292 WeakPolarHBondContact CD-OH 3.44Å; R228-Y292 HydrophobicContact CG-CE1 4.19Å; R228-Y292 WeakPolarHBondContact CG-OH 3.21Å; R228-Y292 PolarHBondContact NE-OH 2.87Å; R228-Y297 VanDerWaalsContact NH1-CZ 3.28Å; R228-Y297 PolarHBondContact NH1-OH 3.41Å; R228-R314 PolarHBondContact O-NH1 3.16Å
229	F	79.3	Confident	85.6	Confident	99 Å²	99	50.7 Å²	50.7	43%	0.434	24%	0.237	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	94.1	157.6	-167.1	-94.1	0	0	0	108.5	R231 H236	F229-R231 HydrophobicContact CE1-CB 4.49Å; F229-H236 HydrophobicContact CB-CB 4.35Å; F229-H236 PolarHBondContact N-O 3.12Å; F229-H236 WeakPolarHBondContact O-CB 3.42Å; F229-H236 PolarHBondContact O-N 3.47Å
230	T	76.2	Confident	85.4	Confident	86 Å²	86	54.1 Å²	54.1	53%	0.528	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	124.8	177	-54.4	0	0	0	0	109.6	L232 S234	T230-L232 WeakPolarHBondContact CG2-O 3.43Å; T230-S234 WeakPolarHBondContact CA-O 3.17Å
231	R	68.1	Low	85.3	Confident	174 Å²	174	55.2 Å²	55.2	66%	0.657	26%	0.261	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-126.7	112	172.1	-169.4	179.2	-168	161.3	4	107.9	F229 Q233 S234	F229-R231 HydrophobicContact CE1-CB 4.49Å; R231-Q233 PolarHBondContact O-N 3.34Å; R231-S234 PolarHBondContact N-O 3.19Å; R231-S234 PolarHBondContact O-N 2.89Å
232	L	74.5	Confident	85.2	Confident	164 Å²	164	56.3 Å²	56.3	86%	0.859	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	54.2	-126.7	-168.1	-60	163.4	0	0	0	110.1	T230	T230-L232 WeakPolarHBondContact CG2-O 3.43Å
233	Q	77.3	Confident	85	Confident	158 Å²	158	56.3 Å²	56.3	74%	0.738	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.7	-14	176.6	-68.5	170.8	-38.1	0	0	113.1	R231	R231-Q233 PolarHBondContact O-N 3.34Å
234	S	84.8	Confident	85.1	Confident	33 Å²	33	62.6 Å²	62.6	23%	0.231	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.1	131.5	-176.8	-54.5	0	0	0	0	112.1	T230 R231 E301	T230-S234 WeakPolarHBondContact CA-O 3.17Å; R231-S234 PolarHBondContact N-O 3.19Å; R231-S234 PolarHBondContact O-N 2.89Å; S234-E301 CarbonylContact C-O 3.55Å; S234-E301 WeakPolarHBondContact CA-O 3.15Å
235	V	89	Confident	85.2	Confident	2 Å²	2	67.4 Å²	67.4	1%	0.012	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	107.4	173.6	179.8	0	0	0	0	108.6	R228 I237 Y292 Y297 E301 Y303	R228-V235 HydrophobicContact CB-CG1 4.19Å; R228-V235 HydrophobicContact CG-CG1 3.88Å; V235-I237 HydrophobicContact CG1-CD1 3.95Å; V235-I237 HydrophobicContact CG1-CG1 4.21Å; V235-Y292 HydrophobicContact CG1-CD1 4.21Å; V235-Y292 HydrophobicContact CG1-CE1 3.79Å; V235-Y297 HydrophobicContact CG2-CD1 3.73Å; V235-Y297 HydrophobicContact CG2-CE1 3.58Å; V235-E301 PolarHBondContact N-O 2.81Å; V235-Y303 PolarHBondContact O-N 3.42Å
236	H	89.9	Confident	85.7	Confident	46 Å²	46	57.3 Å²	57.3	21%	0.213	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	123	170.5	-58.6	-88.1	0	0	0	109.7	F229 Y303 T305	F229-H236 HydrophobicContact CB-CB 4.35Å; F229-H236 PolarHBondContact N-O 3.12Å; F229-H236 WeakPolarHBondContact O-CB 3.42Å; F229-H236 PolarHBondContact O-N 3.47Å; H236-Y303 CarbonylContact C-O 3.57Å; H236-Y303 VanDerWaalsContact CA-O 3.3Å; H236-Y303 WeakPolarHBondContact CA-O 3.48Å; H236-T305 HydrophobicContact CB-CG2 4.08Å
237	I	92.5	Very high	86.3	Confident	0 Å²	0	57 Å²	57	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	109.9	170.5	-53.2	100.7	0	0	0	108.5	R227 V235 L239 V288 Y292 V302 Y303 I304 T305	R227-I237 HydrophobicContact CG-CG2 4.3Å; V235-I237 HydrophobicContact CG1-CD1 3.95Å; V235-I237 HydrophobicContact CG1-CG1 4.21Å; I237-L239 HydrophobicContact CG2-CD2 4.09Å; I237-L239 HydrophobicContact CG2-CG 4.41Å; I237-V288 HydrophobicContact CB-CG1 4.2Å; I237-V288 HydrophobicContact CD1-CG1 4.27Å; I237-V288 HydrophobicContact CG1-CG1 4.22Å; I237-V288 HydrophobicContact CG2-CG1 3.93Å; I237-Y292 HydrophobicContact CD1-CD2 3.6Å; I237-Y292 HydrophobicContact CD1-CE2 3.58Å; I237-Y292 HydrophobicContact CD1-CG 4.17Å; I237-Y292 HydrophobicContact CG1-CD2 4.06Å; I237-Y292 HydrophobicContact CG1-CE2 3.5Å; I237-Y292 VanDerWaalsContact CG1-CE2 3.5Å; I237-V302 HydrophobicContact CD1-CG1 3.8Å; I237-Y303 PolarHBondContact N-O 3.12Å; I237-I304 WeakPolarHBondContact O-CA 3.1Å; I237-T305 PolarHBondContact O-N 2.99Å
238	P	92.3	Very high	86.8	Confident	2 Å²	2	57.1 Å²	57.1	1%	0.013	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.7	128.8	174.8	30.5	-30.9	0	0	0	109.1	R227 T305 M307 F311	R227-P238 PolarHBondContact NE-O 3.33Å; R227-P238 PolarHBondContact NH2-O 3.18Å; P238-T305 CarbonylContact C-O 3.51Å; P238-T305 VanDerWaalsContact CA-O 3.3Å; P238-T305 WeakPolarHBondContact CA-O 3.35Å; P238-T305 WeakPolarHBondContact CA-OG1 3.49Å; P238-M307 HydrophobicContact CB-SD 3.76Å; P238-M307 HydrophobicContact CG-SD 4.38Å; P238-F311 HydrophobicContact CB-CB 4.43Å; P238-F311 HydrophobicContact CB-CD1 4.01Å; P238-F311 HydrophobicContact CB-CD2 4.41Å; P238-F311 HydrophobicContact CB-CE1 4.36Å; P238-F311 HydrophobicContact CB-CG 4.02Å; P238-F311 HydrophobicContact CG-CB 4.24Å; P238-F311 HydrophobicContact CG-CD1 3.71Å; P238-F311 HydrophobicContact CG-CD2 3.4Å; P238-F311 VanDerWaalsContact CG-CD2 3.4Å; P238-F311 HydrophobicContact CG-CE1 3.81Å; P238-F311 HydrophobicContact CG-CE2 3.5Å; P238-F311 VanDerWaalsContact CG-CE2 3.5Å; P238-F311 HydrophobicContact CG-CG 3.49Å; P238-F311 VanDerWaalsContact CG-CG 3.49Å; P238-F311 HydrophobicContact CG-CZ 3.69Å
239	L	93.1	Very high	87.3	Confident	0 Å²	0	56.9 Å²	56.9	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.1	151.3	173.4	-62.5	-175.9	0	0	0	109.6	F222 I237 S242 L284 D285 V288 I304 T305 M307	F222-L239 HydrophobicContact CE1-CD2 4.37Å; I237-L239 HydrophobicContact CG2-CD2 4.09Å; I237-L239 HydrophobicContact CG2-CG 4.41Å; L239-S242 PolarHBondContact O-N 2.64Å; L239-L284 HydrophobicContact CD1-CG 4.26Å; L239-L284 HydrophobicContact CD2-CD2 4.32Å; L239-D285 HydrophobicContact CD1-CB 4.24Å; L239-V288 HydrophobicContact CD1-CB 4.49Å; L239-V288 HydrophobicContact CD1-CG2 4.37Å; L239-V288 HydrophobicContact CD2-CG2 4.38Å; L239-I304 HydrophobicContact CB-CG2 4.24Å; L239-I304 HydrophobicContact CD1-CD1 3.98Å; L239-I304 HydrophobicContact CD1-CG2 3.73Å; L239-I304 HydrophobicContact CG-CG2 3.99Å; L239-T305 PolarHBondContact N-O 2.66Å; L239-M307 PolarHBondContact O-N 3.13Å
240	W	90.6	Very high	88.1	Confident	72 Å²	72	52.3 Å²	52.3	27%	0.273	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-66.1	134.8	169.8	-178	85.1	0	0	0	109.8	Y178 S242 G243 N245 S337	Y178-W240 AromaticContact CD1-CD2 3.92Å; Y178-W240 HydrophobicContact CD1-CD2 3.92Å; Y178-W240 AromaticContact CD1-CE2 3.74Å; Y178-W240 AromaticContact CD1-CE3 3.93Å; Y178-W240 HydrophobicContact CD1-CE3 3.93Å; Y178-W240 AromaticContact CD1-CH2 3.66Å; Y178-W240 HydrophobicContact CD1-CH2 3.66Å; Y178-W240 AromaticContact CD1-CZ2 3.64Å; Y178-W240 HydrophobicContact CD1-CZ2 3.64Å; Y178-W240 AromaticContact CD1-CZ3 3.8Å; Y178-W240 HydrophobicContact CD1-CZ3 3.8Å; Y178-W240 HydrophobicContact CE1-CE3 4.5Å; Y178-W240 HydrophobicContact CE1-CH2 4.01Å; Y178-W240 HydrophobicContact CE1-CZ2 4.41Å; Y178-W240 HydrophobicContact CE1-CZ3 4.05Å; Y178-W240 HydrophobicContact CG-CD2 4.45Å; Y178-W240 VanDerWaalsContact O-CD1 3.28Å; Y178-W240 PolarHBondContact O-NE1 3.01Å; W240-S242 PolarHBondContact O-N 2.95Å; W240-G243 PolarHBondContact O-N 2.9Å; W240-N245 HydrophobicContact CZ3-CB 4.1Å; W240-S337 WeakPolarHBondContact CB-OG 3.31Å
241	A	89.6	Confident	89	Confident	43 Å²	43	48.2 Å²	48.2	36%	0.355	24%	0.237	S	C	.	.	G	3₁₀ helix	trans	46.3	31.8	-172.8	0	0	0	0	0	114.4	G243 K244 N245	A241-G243 PolarHBondContact O-N 3.33Å; A241-G243 VanDerWaalsContact O-N 3.12Å; A241-K244 PolarHBondContact O-N 3.21Å; A241-N245 HydrophobicContact CB-CB 4.4Å
242	S	88	Confident	90.4	Very high	33 Å²	33	40.3 Å²	40.3	23%	0.231	21%	0.209	C	C	.	.	G	3₁₀ helix	trans	53.5	25.2	-172.1	-57.9	0	0	0	0	114.6	L239 W240 K244 D285 I304	L239-S242 PolarHBondContact O-N 2.64Å; W240-S242 PolarHBondContact O-N 2.95Å; S242-K244 PolarHBondContact O-N 2.86Å; S242-K244 VanDerWaalsContact O-N 3.17Å; S242-D285 VanDerWaalsContact O-CB 3.31Å; S242-D285 WeakPolarHBondContact O-CB 3.45Å; S242-I304 WeakPolarHBondContact O-CG2 3.18Å
243	G	89.3	Confident	91.4	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.169	C	C	.	.	G	3₁₀ helix	trans	72.9	-4.1	177.3	0	0	0	0	0	116.1	W240 A241 N245 T246	W240-G243 PolarHBondContact O-N 2.9Å; A241-G243 PolarHBondContact O-N 3.33Å; A241-G243 VanDerWaalsContact O-N 3.12Å; G243-N245 PolarHBondContact O-N 3.41Å; G243-T246 PolarHBondContact O-N 3.35Å
244	K	90.2	Very high	92.3	Very high	132 Å²	132	27.4 Å²	27.4	57%	0.574	14%	0.144	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-31.6	-174.1	-66.1	-175.1	177.6	-175.5	0	113.7	A241 S242 T246 R283	A241-K244 PolarHBondContact O-N 3.21Å; S242-K244 PolarHBondContact O-N 2.86Å; S242-K244 VanDerWaalsContact O-N 3.17Å; K244-T246 VanDerWaalsContact C-N 3.35Å; K244-R283 WeakPolarHBondContact O-CD 3.29Å; K244-R283 WeakPolarHBondContact O-CG 3.47Å
245	N	90.6	Very high	92.8	Very high	111 Å²	111	26 Å²	26	59%	0.594	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	-89.9	-4.1	-177.9	-63.3	3.6	0	0	0	112.7	W240 A241 G243 T339	W240-N245 HydrophobicContact CZ3-CB 4.1Å; A241-N245 HydrophobicContact CB-CB 4.4Å; G243-N245 PolarHBondContact O-N 3.41Å; N245-T339 PolarHBondContact O-OG1 2.71Å; N245-T339 VanDerWaalsContact O-OG1 3.14Å
246	T	93.6	Very high	93.2	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.133	C	C	.	.			trans	-107.9	120.4	-174.5	-55.3	0	0	0	0	110	G243 K244 L284 E336 S337 T339	G243-T246 PolarHBondContact O-N 3.35Å; K244-T246 VanDerWaalsContact C-N 3.35Å; T246-L284 HydrophobicContact CG2-CB 4.15Å; T246-L284 HydrophobicContact CG2-CD2 3.93Å; T246-L284 WeakPolarHBondContact O-CB 3.43Å; T246-L284 PolarHBondContact O-N 2.9Å; T246-E336 WeakPolarHBondContact CG2-O 3.37Å; T246-S337 VanDerWaalsContact CG2-O 3.3Å; T246-S337 WeakPolarHBondContact CG2-O 3.48Å; T246-S337 PolarHBondContact OG1-O 2.98Å; T246-T339 WeakPolarHBondContact CA-OG1 3.5Å
247	V	95.1	Very high	93.5	Very high	22 Å²	22	23.7 Å²	23.7	13%	0.133	12%	0.123	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	134.7	175.9	-179.7	0	0	0	0	109.3	R281 Y282 T339 D340	V247-R281 HydrophobicContact CG1-CB 3.8Å; V247-Y282 CarbonylContact C-O 3.36Å; V247-Y282 WeakPolarHBondContact CA-O 3.38Å; V247-T339 HydrophobicContact CB-CG2 4.01Å; V247-T339 PolarHBondContact N-OG1 3.36Å; V247-T339 WeakPolarHBondContact O-CA 3.45Å; V247-D340 PolarHBondContact O-N 2.81Å
248	K	95.1	Very high	93.6	Very high	1 Å²	1	25.3 Å²	25.3	0%	0.004	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.7	142.7	179.5	-70.1	-61	-174	-178.9	0	111.4	E210 F218 P250 R281 Y282 L284 R335 E336 A338 D340	E210-K248 HydrophobicContact CG-CD 4.29Å; F218-K248 HydrophobicContact CZ-CB 4.31Å; F218-K248 HydrophobicContact CZ-CG 4.32Å; K248-P250 WeakPolarHBondContact O-CD 3.4Å; K248-R281 WeakPolarHBondContact O-CA 3.44Å; K248-Y282 PolarHBondContact N-O 3.45Å; K248-Y282 PolarHBondContact O-N 2.98Å; K248-L284 HydrophobicContact CG-CD1 4.45Å; K248-R335 PolarHBondContact NZ-O 3.14Å; K248-E336 WeakPolarHBondContact CE-O 3.42Å; K248-A338 WeakPolarHBondContact CE-O 3.3Å; K248-A338 PolarHBondContact NZ-O 2.98Å; K248-D340 VanDerWaalsContact CA-OD2 3.3Å; K248-D340 WeakPolarHBondContact CA-OD2 3.27Å; K248-D340 VanDerWaalsContact CD-CG 3.43Å; K248-D340 VanDerWaalsContact CD-OD1 3.22Å; K248-D340 WeakPolarHBondContact CD-OD1 3.09Å; K248-D340 VanDerWaalsContact CD-OD2 3.22Å; K248-D340 WeakPolarHBondContact CD-OD2 3.3Å; K248-D340 IonicContact NZ-OD1 3.23Å; K248-D340 PolarHBondContact NZ-OD1 3.29Å
249	Q	94.6	Very high	93.8	Very high	17 Å²	17	25.2 Å²	25.2	8%	0.079	13%	0.134	C	C	.	.			trans	-126.3	64.8	-178.5	-166.4	173.4	-15.7	0	0	110.5	A209 V277 G278 R281 D340	A209-Q249 WeakPolarHBondContact CB-O 3.13Å; Q249-V277 HydrophobicContact CG-CB 4.01Å; Q249-G278 VanDerWaalsContact CG-O 3.27Å; Q249-G278 WeakPolarHBondContact CG-O 3.46Å; Q249-G278 PolarHBondContact NE2-O 3.24Å; Q249-G278 PolarHBondContact O-N 3.36Å; Q249-R281 HydrophobicContact CB-CG 4.08Å; Q249-R281 HydrophobicContact CG-CG 3.79Å; Q249-D340 HydrophobicContact CB-CB 4.42Å; Q249-D340 PolarHBondContact N-OD2 2.86Å
250	P	95.5	Very high	93.9	Very high	3 Å²	3	25.2 Å²	25.2	2%	0.019	13%	0.134	C	C	.	.	P	Polyproline II helix	trans	-72.9	138.5	-161	35.3	-39.9	0	0	0	111.6	E210 W212 F218 K248 G278 Y282 L358	E210-P250 HydrophobicContact CB-CB 4.32Å; E210-P250 CarbonylContact O-C 3.51Å; E210-P250 WeakPolarHBondContact O-CA 3.15Å; E210-P250 VanDerWaalsContact O-CB 3.25Å; E210-P250 WeakPolarHBondContact O-CB 3.37Å; W212-P250 PolarHBondContact NE1-O 3.32Å; F218-P250 HydrophobicContact CD1-CB 4.23Å; F218-P250 HydrophobicContact CE1-CB 3.67Å; F218-P250 HydrophobicContact CE1-CG 4.1Å; F218-P250 HydrophobicContact CZ-CB 4.3Å; K248-P250 WeakPolarHBondContact O-CD 3.4Å; P250-G278 WeakPolarHBondContact O-CA 3.4Å; P250-Y282 HydrophobicContact CG-CD2 4.1Å; P250-Y282 HydrophobicContact CG-CE2 4.13Å; P250-L358 HydrophobicContact CG-CD2 4.11Å
251	V	96.1	Very high	94.1	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	140.8	-171.4	67	0	0	0	0	112.2	P208 A209 E210 I211 W212 V253 A276 L348	P208-V251 HydrophobicContact CB-CG1 4.23Å; A209-V251 HydrophobicContact CB-CG1 4.43Å; E210-V251 PolarHBondContact O-N 3.2Å; I211-V251 WeakPolarHBondContact CA-O 3.37Å; I211-V251 HydrophobicContact CB-CG1 4.5Å; I211-V251 HydrophobicContact CG1-CG1 3.98Å; W212-V251 PolarHBondContact N-O 2.99Å; W212-V251 VanDerWaalsContact NE1-C 3.28Å; V251-V253 PolarHBondContact O-N 2.69Å; V251-A276 WeakPolarHBondContact CB-O 3.33Å; V251-A276 WeakPolarHBondContact CG1-O 3.47Å; V251-L348 HydrophobicContact CG2-CD1 3.71Å
252	C	96.2	Very high	94.3	Very high	8 Å²	8	22.7 Å²	22.7	5%	0.054	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.5	132.2	177.7	-167	0	0	0	0	110.6	W212 H254 D255 L256	W212-C252 HydrophobicContact CD2-CB 4.39Å; W212-C252 HydrophobicContact CH2-CB 3.85Å; W212-C252 HydrophobicContact CZ2-CB 3.53Å; W212-C252 HydrophobicContact CZ3-CB 4.4Å; C252-H254 PolarHBondContact O-N 3.08Å; C252-H254 VanDerWaalsContact O-N 3.14Å; C252-D255 HydrophobicContact CB-CB 4.11Å; C252-D255 VanDerWaalsContact CB-OD2 3.31Å; C252-D255 WeakPolarHBondContact CB-OD2 3.17Å; C252-D255 PolarHBondContact O-N 3.26Å; C252-D255 VanDerWaalsContact O-N 3.14Å; C252-L256 PolarHBondContact O-N 3.19Å
253	V	96.2	Very high	94.6	Very high	3 Å²	3	21.1 Å²	21.1	2%	0.018	11%	0.109	C	C	.	.	H	α-helix	trans	-56.3	-31.4	176.5	70.2	0	0	0	0	112.9	Y63 L64 N67 I211 W212 V251 A257	Y63-V253 HydrophobicContact CD1-CG2 4.19Å; Y63-V253 HydrophobicContact CE1-CB 4Å; Y63-V253 HydrophobicContact CE1-CG1 4.42Å; Y63-V253 HydrophobicContact CE1-CG2 3.78Å; L64-V253 HydrophobicContact CD1-CG2 3.94Å; N67-V253 HydrophobicContact CB-CG2 3.81Å; I211-V253 HydrophobicContact CG2-CB 3.55Å; I211-V253 HydrophobicContact CG2-CG2 3.87Å; W212-V253 PolarHBondContact O-N 2.95Å; V251-V253 PolarHBondContact O-N 2.69Å; V253-A257 WeakPolarHBondContact O-CB 3.45Å; V253-A257 PolarHBondContact O-N 2.91Å; V253-A257 VanDerWaalsContact O-N 3.12Å
254	H	95	Very high	94.8	Very high	47 Å²	47	22.1 Å²	22.1	22%	0.218	11%	0.114	C	C	.	.	H	α-helix	trans	-75.5	-37.4	-178.7	-149.4	83	0	0	0	111.9	Q71 C252 A257 C258 R356	Q71-H254 PolarHBondContact NE2-CD2 2.8Å; Q71-H254 PolarHBondContact NE2-CE1 3.35Å; Q71-H254 VanDerWaalsContact NE2-CE1 3.28Å; Q71-H254 PolarHBondContact NE2-NE2 2.94Å; C252-H254 PolarHBondContact O-N 3.08Å; C252-H254 VanDerWaalsContact O-N 3.14Å; H254-A257 PolarHBondContact O-N 2.68Å; H254-C258 PolarHBondContact O-N 3.42Å; H254-C258 PolarHBondContact O-SG 2.77Å; H254-R356 PolarHBondContact CD2-NH2 3.38Å
255	D	96.2	Very high	94.7	Very high	4 Å²	4	20.4 Å²	20.4	2%	0.021	11%	0.108	C	C	.	.	H	α-helix	trans	-75.7	-39.6	-178.4	-58.1	-14.1	0	0	0	110.2	C252 A257 C258 G259 V353 L355 R356	C252-D255 HydrophobicContact CB-CB 4.11Å; C252-D255 VanDerWaalsContact CB-OD2 3.31Å; C252-D255 WeakPolarHBondContact CB-OD2 3.17Å; C252-D255 PolarHBondContact O-N 3.26Å; C252-D255 VanDerWaalsContact O-N 3.14Å; D255-A257 VanDerWaalsContact C-N 3.33Å; D255-A257 PolarHBondContact O-N 2.89Å; D255-C258 PolarHBondContact O-N 2.74Å; D255-G259 PolarHBondContact O-N 3.4Å; D255-V353 HydrophobicContact CB-CG1 3.82Å; D255-L355 HydrophobicContact CB-CD2 4.38Å; D255-R356 WeakPolarHBondContact OD1-CD 3.49Å; D255-R356 WeakPolarHBondContact OD1-CG 3.43Å; D255-R356 IonicContact OD1-NE 2.75Å; D255-R356 PolarHBondContact OD1-NE 3.28Å; D255-R356 WeakPolarHBondContact OD2-CB 3.18Å; D255-R356 WeakPolarHBondContact OD2-CG 3.45Å; D255-R356 PolarHBondContact OD2-N 2.99Å
256	L	96.7	Very high	94.7	Very high	0 Å²	0	17.9 Å²	17.9	0%	0	9%	0.094	C	C	.	.	H	α-helix	trans	-59.2	-43	168.6	176	60.3	0	0	0	111.8	L64 F206 P208 I211 C252 G259 I260 A276	L64-L256 HydrophobicContact CD1-CD2 3.75Å; L64-L256 HydrophobicContact CD1-CG 4.03Å; L64-L256 HydrophobicContact CD2-CD2 3.72Å; L64-L256 HydrophobicContact CD2-CG 4.42Å; L64-L256 HydrophobicContact CG-CD2 4.4Å; F206-L256 HydrophobicContact CB-CD1 4.43Å; F206-L256 HydrophobicContact CD1-CD1 4.1Å; F206-L256 HydrophobicContact CG-CD1 4.48Å; P208-L256 HydrophobicContact CB-CD1 4.39Å; P208-L256 HydrophobicContact CB-CD2 3.75Å; P208-L256 HydrophobicContact CG-CD2 4.29Å; I211-L256 HydrophobicContact CD1-CD2 3.57Å; I211-L256 HydrophobicContact CG1-CD2 4.04Å; C252-L256 PolarHBondContact O-N 3.19Å; L256-G259 PolarHBondContact O-N 3.12Å; L256-I260 HydrophobicContact CD1-CD1 4.14Å; L256-I260 HydrophobicContact CD1-CG1 4.38Å; L256-I260 HydrophobicContact CG-CD1 4.17Å; L256-I260 WeakPolarHBondContact O-CG1 3.32Å; L256-I260 PolarHBondContact O-N 3.29Å; L256-A276 HydrophobicContact CD1-CB 3.72Å
257	A	96.2	Very high	94.4	Very high	0 Å²	0	22.9 Å²	22.9	0%	0	13%	0.127	C	C	.	.	H	α-helix	trans	-63.3	-41	175.2	0	0	0	0	0	112.4	L68 Q71 V253 H254 D255 V261	L68-A257 HydrophobicContact CB-CB 4.43Å; L68-A257 HydrophobicContact CD1-CB 4.27Å; Q71-A257 HydrophobicContact CG-CB 3.93Å; V253-A257 WeakPolarHBondContact O-CB 3.45Å; V253-A257 PolarHBondContact O-N 2.91Å; V253-A257 VanDerWaalsContact O-N 3.12Å; H254-A257 PolarHBondContact O-N 2.68Å; D255-A257 VanDerWaalsContact C-N 3.33Å; D255-A257 PolarHBondContact O-N 2.89Å; A257-V261 WeakPolarHBondContact O-CG2 3.46Å; A257-V261 PolarHBondContact O-N 3.13Å; A257-V261 VanDerWaalsContact O-N 3.11Å
258	C	95.3	Very high	94.2	Very high	34 Å²	34	29.6 Å²	29.6	23%	0.23	16%	0.157	C	C	.	.	H	α-helix	trans	-62.8	-44.6	173.3	-69.8	0	0	0	0	112.1	Q71 H254 D255 I260 V261 N262 V353	Q71-C258 PolarHBondContact NE2-SG 3.43Å; H254-C258 PolarHBondContact O-N 3.42Å; H254-C258 PolarHBondContact O-SG 2.77Å; D255-C258 PolarHBondContact O-N 2.74Å; C258-I260 PolarHBondContact O-N 3.24Å; C258-V261 PolarHBondContact O-N 3.25Å; C258-N262 WeakPolarHBondContact O-CB 3.05Å; C258-N262 VanDerWaalsContact O-CG 3.28Å; C258-N262 PolarHBondContact O-N 3.36Å; C258-N262 PolarHBondContact O-OD1 2.77Å; C258-V353 HydrophobicContact CB-CG1 4.11Å; C258-V353 HydrophobicContact CB-CG2 4.26Å
259	G	95.9	Very high	93.9	Very high	0 Å²	0	29.6 Å²	29.6	0%	0	16%	0.157	C	C	.	.	H	α-helix	trans	-60	-44.6	177.7	0	0	0	0	0	112.6	D255 L256 V261 N262 S263	D255-G259 PolarHBondContact O-N 3.4Å; L256-G259 PolarHBondContact O-N 3.12Å; G259-V261 PolarHBondContact O-N 2.97Å; G259-N262 PolarHBondContact O-N 3.14Å; G259-S263 WeakPolarHBondContact O-CB 3.43Å; G259-S263 PolarHBondContact O-N 3.5Å
260	I	96.3	Very high	93.8	Very high	0 Å²	0	32.6 Å²	32.6	0%	0	17%	0.173	C	C	.	.	H	α-helix	trans	-58.5	-48.8	173.7	-67.3	164.7	0	0	0	110.4	L68 I126 V164 V166 F206 L256 C258 N262 S263 L264	L68-I260 HydrophobicContact CD1-CB 3.85Å; L68-I260 HydrophobicContact CD1-CD1 4.43Å; L68-I260 HydrophobicContact CD1-CG2 3.66Å; L68-I260 HydrophobicContact CD2-CD1 4.43Å; L68-I260 HydrophobicContact CD2-CG2 4.03Å; I126-I260 HydrophobicContact CD1-CG2 3.98Å; V164-I260 HydrophobicContact CG1-CG2 4.33Å; V166-I260 HydrophobicContact CG2-CD1 4.18Å; F206-I260 HydrophobicContact CD1-CG1 4.35Å; F206-I260 HydrophobicContact CD2-CG1 3.86Å; F206-I260 HydrophobicContact CE1-CG1 4.29Å; F206-I260 HydrophobicContact CE2-CB 4.4Å; F206-I260 HydrophobicContact CE2-CG1 3.79Å; F206-I260 HydrophobicContact CG-CG1 4.14Å; F206-I260 HydrophobicContact CZ-CG1 4.02Å; L256-I260 HydrophobicContact CD1-CD1 4.14Å; L256-I260 HydrophobicContact CD1-CG1 4.38Å; L256-I260 HydrophobicContact CG-CD1 4.17Å; L256-I260 WeakPolarHBondContact O-CG1 3.32Å; L256-I260 PolarHBondContact O-N 3.29Å; C258-I260 PolarHBondContact O-N 3.24Å; I260-N262 PolarHBondContact O-N 2.69Å; I260-S263 PolarHBondContact O-N 2.87Å; I260-S263 PolarHBondContact O-OG 3.22Å; I260-L264 WeakPolarHBondContact O-CG 3.41Å; I260-L264 PolarHBondContact O-N 3.02Å
261	V	94.8	Very high	93.7	Very high	11 Å²	11	33.9 Å²	33.9	7%	0.067	19%	0.186	C	C	.	.	H	α-helix	trans	-62.1	-41.7	178.8	174.8	0	0	0	0	112.3	L68 Q71 L72 A257 C258 G259 S263 L264	L68-V261 HydrophobicContact CD1-CG2 3.93Å; Q71-V261 HydrophobicContact CB-CG2 3.88Å; L72-V261 HydrophobicContact CD2-CG2 3.78Å; L72-V261 HydrophobicContact CG-CG2 4.05Å; A257-V261 WeakPolarHBondContact O-CG2 3.46Å; A257-V261 PolarHBondContact O-N 3.13Å; A257-V261 VanDerWaalsContact O-N 3.11Å; C258-V261 PolarHBondContact O-N 3.25Å; G259-V261 PolarHBondContact O-N 2.97Å; V261-S263 VanDerWaalsContact C-N 3.33Å; V261-S263 PolarHBondContact O-N 3.2Å; V261-L264 WeakPolarHBondContact O-CB 3.36Å; V261-L264 PolarHBondContact O-N 2.97Å; V261-L264 VanDerWaalsContact O-N 3.16Å
262	N	94.2	Very high	93.7	Very high	51 Å²	51	37.6 Å²	37.6	27%	0.273	20%	0.204	S	C	.	.	H	α-helix	trans	-63.9	-38.5	177.4	-69.4	0.7	0	0	0	111.4	C258 G259 I260 L264 H265 N266 L351	C258-N262 WeakPolarHBondContact O-CB 3.05Å; C258-N262 VanDerWaalsContact O-CG 3.28Å; C258-N262 PolarHBondContact O-N 3.36Å; C258-N262 PolarHBondContact O-OD1 2.77Å; G259-N262 PolarHBondContact O-N 3.14Å; I260-N262 PolarHBondContact O-N 2.69Å; N262-L264 PolarHBondContact O-N 3.12Å; N262-H265 PolarHBondContact O-N 2.75Å; N262-N266 PolarHBondContact O-N 2.75Å; N262-L351 PolarHBondContact ND2-O 2.89Å
263	S	94.3	Very high	93.7	Very high	0 Å²	0	38 Å²	38	0%	0	21%	0.206	C	C	.	.	H	α-helix	trans	-66.1	-14.4	175.5	74.5	0	0	0	0	114.9	Q162 F206 G259 I260 V261 H265	Q162-S263 PolarHBondContact NE2-O 3.16Å; F206-S263 WeakPolarHBondContact CE2-OG 3.39Å; F206-S263 WeakPolarHBondContact CZ-OG 3.48Å; G259-S263 WeakPolarHBondContact O-CB 3.43Å; G259-S263 PolarHBondContact O-N 3.5Å; I260-S263 PolarHBondContact O-N 2.87Å; I260-S263 PolarHBondContact O-OG 3.22Å; V261-S263 VanDerWaalsContact C-N 3.33Å; V261-S263 PolarHBondContact O-N 3.2Å; S263-H265 VanDerWaalsContact C-N 3.33Å
264	L	92.9	Very high	93.7	Very high	20 Å²	20	38.6 Å²	38.6	11%	0.105	21%	0.208	C	C	.	.	T	Hydrogen-bonded Turn	trans	-79.9	-16.6	171.8	-53.8	-171.1	0	0	0	113.1	V55 L72 V124 I126 V164 I260 V261 N262	V55-L264 HydrophobicContact CG2-CD1 4.33Å; L72-L264 HydrophobicContact CD2-CD1 3.87Å; V124-L264 HydrophobicContact CG1-CD1 4.3Å; V124-L264 HydrophobicContact CG1-CD2 3.67Å; I126-L264 HydrophobicContact CD1-CD1 4.28Å; V164-L264 HydrophobicContact CG2-CD2 3.69Å; I260-L264 WeakPolarHBondContact O-CG 3.41Å; I260-L264 PolarHBondContact O-N 3.02Å; V261-L264 WeakPolarHBondContact O-CB 3.36Å; V261-L264 PolarHBondContact O-N 2.97Å; V261-L264 VanDerWaalsContact O-N 3.16Å; N262-L264 PolarHBondContact O-N 3.12Å
265	H	88.3	Confident	93.8	Very high	96 Å²	96	36.4 Å²	36.4	44%	0.444	20%	0.197	S	C	.	.	T	Hydrogen-bonded Turn	trans	-105.5	-17.3	-179.4	-64.6	-49.7	0	0	0	112.7	N262 S263 P267	N262-H265 PolarHBondContact O-N 2.75Å; S263-H265 VanDerWaalsContact C-N 3.33Å; H265-P267 WeakPolarHBondContact O-CD 3.13Å
266	N	89.6	Confident	93.8	Very high	58 Å²	58	36.2 Å²	36.2	31%	0.31	20%	0.196	S	C	.	.			trans	-94.9	110.8	180	-69.4	-7.2	0	0	0	110.8	N262 E268 S269	N262-N266 PolarHBondContact O-N 2.75Å; N266-E268 PolarHBondContact O-N 2.98Å; N266-S269 WeakPolarHBondContact O-CB 3.45Å; N266-S269 PolarHBondContact O-N 3.33Å; N266-S269 VanDerWaalsContact O-N 3.09Å
267	P	88.1	Confident	93.7	Very high	105 Å²	105	36.6 Å²	36.6	68%	0.682	20%	0.199	S	C	*	.	G	3₁₀ helix	trans	-64.8	-24.3	179.5	26.9	-34.9	0	0	0	112.9	H265 S269 L270	H265-P267 WeakPolarHBondContact O-CD 3.13Å; P267-S269 PolarHBondContact O-N 2.69Å; P267-L270 WeakPolarHBondContact O-CG 3.27Å; P267-L270 PolarHBondContact O-N 3.47Å
268	E	90.7	Very high	93.6	Very high	164 Å²	164	36.7 Å²	36.7	77%	0.766	20%	0.2	S	C	*	.	G	3₁₀ helix	trans	-66.4	-15.3	175.6	-61.4	-178.5	167.1	0	0	113.4	N266 L270 Q272	N266-E268 PolarHBondContact O-N 2.98Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 3.03Å; E268-Q272 WeakPolarHBondContact O-CG 3.21Å
269	S	89.8	Confident	93.4	Very high	0 Å²	0	37.5 Å²	37.5	0%	0	20%	0.204	C	C	.	.	G	3₁₀ helix	trans	-78	-8.6	178.7	-63.9	0	0	0	0	114.3	T204 N266 P267 G271 Q272 Y274	T204-S269 WeakPolarHBondContact CB-O 3.32Å; T204-S269 WeakPolarHBondContact CG2-O 3.33Å; T204-S269 PolarHBondContact OG1-O 3.43Å; N266-S269 WeakPolarHBondContact O-CB 3.45Å; N266-S269 PolarHBondContact O-N 3.33Å; N266-S269 VanDerWaalsContact O-N 3.09Å; P267-S269 PolarHBondContact O-N 2.69Å; S269-G271 PolarHBondContact O-N 2.92Å; S269-Q272 PolarHBondContact O-N 3.15Å; S269-Y274 WeakPolarHBondContact CA-OH 3.34Å; S269-Y274 PolarHBondContact OG-OH 3.43Å
270	L	92.1	Very high	93.3	Very high	80 Å²	80	39.1 Å²	39.1	42%	0.419	21%	0.212	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.4	128.4	177.9	-62.5	176.7	0	0	0	110.4	Q162 P267 E268 Q272	Q162-L270 HydrophobicContact CB-CD2 4.13Å; Q162-L270 HydrophobicContact CG-CD2 3.69Å; P267-L270 WeakPolarHBondContact O-CG 3.27Å; P267-L270 PolarHBondContact O-N 3.47Å; E268-L270 VanDerWaalsContact C-N 3.3Å; E268-L270 PolarHBondContact O-N 3.03Å; L270-Q272 PolarHBondContact O-N 3.28Å
271	G	93.2	Very high	93.2	Very high	30 Å²	30	41 Å²	41	31%	0.309	22%	0.219	S	C	.	.	T	Hydrogen-bonded Turn	trans	69.2	4.8	-174.7	0	0	0	0	0	115.8	P201 D202 S269	P201-G271 WeakPolarHBondContact O-CA 3.3Å; D202-G271 PolarHBondContact O-N 2.96Å; S269-G271 PolarHBondContact O-N 2.92Å
272	Q	95.1	Very high	93.2	Very high	79 Å²	79	40.6 Å²	40.6	37%	0.369	22%	0.216	S	C	.	.			trans	-86.8	147	179.5	-65.2	-61	-19.5	0	0	112.8	T204 I205 E268 S269 L270 Y274	T204-Q272 WeakPolarHBondContact CA-O 3.24Å; I205-Q272 PolarHBondContact N-O 2.97Å; E268-Q272 WeakPolarHBondContact O-CG 3.21Å; S269-Q272 PolarHBondContact O-N 3.15Å; L270-Q272 PolarHBondContact O-N 3.28Å; Q272-Y274 HydrophobicContact CB-CD2 4.33Å; Q272-Y274 HydrophobicContact CB-CE2 3.7Å
273	I	96.4	Very high	93.2	Very high	17 Å²	17	41.2 Å²	41.2	9%	0.087	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106	125.6	170.5	-52.6	-178.6	0	0	0	107.8	L197 I205 R207 Y345	L197-I273 HydrophobicContact CD1-CD1 4.5Å; I205-I273 HydrophobicContact CB-CG1 4.3Å; I205-I273 HydrophobicContact CB-CG2 4.45Å; I205-I273 CarbonylContact O-C 3.6Å; I205-I273 VanDerWaalsContact O-CA 3.32Å; I205-I273 WeakPolarHBondContact O-CA 3.16Å; R207-I273 HydrophobicContact CG-CG2 4.14Å; I273-Y345 HydrophobicContact CB-CD1 3.85Å; I273-Y345 HydrophobicContact CB-CE1 4.04Å; I273-Y345 HydrophobicContact CB-CG 4.28Å; I273-Y345 HydrophobicContact CD1-CE1 4.09Å; I273-Y345 HydrophobicContact CG1-CE1 4.42Å; I273-Y345 HydrophobicContact CG2-CD1 4.37Å; I273-Y345 HydrophobicContact CG2-CG 4.33Å; I273-Y345 WeakPolarHBondContact O-CB 3.38Å
274	Y	96.6	Very high	93.2	Very high	15 Å²	15	41.3 Å²	41.3	6%	0.059	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.1	178.8	-68.6	-79.9	0	0	0	111.2	T204 I205 F206 R207 S269 Q272 A276 P346 L351	T204-Y274 HydrophobicContact CG2-CD2 3.87Å; T204-Y274 HydrophobicContact CG2-CE2 3.8Å; I205-Y274 PolarHBondContact O-N 2.84Å; F206-Y274 HydrophobicContact CE1-CD2 4.12Å; F206-Y274 HydrophobicContact CE1-CG 4.1Å; F206-Y274 HydrophobicContact CE2-CD2 4.45Å; F206-Y274 HydrophobicContact CZ-CD2 4.02Å; F206-Y274 HydrophobicContact CZ-CG 4.45Å; R207-Y274 PolarHBondContact N-O 3.16Å; S269-Y274 WeakPolarHBondContact CA-OH 3.34Å; S269-Y274 PolarHBondContact OG-OH 3.43Å; Q272-Y274 HydrophobicContact CB-CD2 4.33Å; Q272-Y274 HydrophobicContact CB-CE2 3.7Å; Y274-A276 PolarHBondContact O-N 3.24Å; Y274-P346 CarbonylContact C-O 3.52Å; Y274-P346 VanDerWaalsContact CA-O 3.29Å; Y274-P346 WeakPolarHBondContact CA-O 3.41Å; Y274-P346 HydrophobicContact CD1-CB 3.73Å; Y274-P346 HydrophobicContact CE1-CB 3.76Å; Y274-L351 HydrophobicContact CD1-CD1 3.77Å; Y274-L351 HydrophobicContact CD1-CG 4.05Å; Y274-L351 HydrophobicContact CD2-CD1 4.24Å; Y274-L351 HydrophobicContact CE1-CD1 3.85Å; Y274-L351 HydrophobicContact CE1-CD2 3.87Å; Y274-L351 HydrophobicContact CE1-CG 3.69Å; Y274-L351 HydrophobicContact CE2-CD1 4.28Å; Y274-L351 HydrophobicContact CE2-CD2 4.37Å; Y274-L351 HydrophobicContact CG-CD1 3.99Å
275	E	96.4	Very high	93.3	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	101.7	173.2	-77.7	-179.7	165	0	0	110	L169 R207 V277 L342 S343 G344 Y345 P346	L169-E275 HydrophobicContact CD1-CB 4.13Å; L169-E275 HydrophobicContact CD1-CG 3.76Å; R207-E275 HydrophobicContact CB-CG 4.36Å; R207-E275 IonicContact NH1-OE1 3.1Å; E275-V277 PolarHBondContact O-N 3.16Å; E275-L342 HydrophobicContact CB-CD2 4.34Å; E275-L342 WeakPolarHBondContact OE2-CA 3.41Å; E275-S343 VanDerWaalsContact CD-N 3.34Å; E275-S343 WeakPolarHBondContact OE1-CB 3.42Å; E275-S343 PolarHBondContact OE1-N 3.26Å; E275-S343 VanDerWaalsContact OE1-N 3.07Å; E275-S343 PolarHBondContact OE1-OG 2.87Å; E275-S343 PolarHBondContact OE2-N 3.03Å; E275-G344 PolarHBondContact OE2-N 3.14Å; E275-Y345 HydrophobicContact CG-CD2 4.37Å; E275-P346 PolarHBondContact N-O 3.5Å
276	A	96.2	Very high	93.6	Very high	0 Å²	0	37 Å²	37	0%	0	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.6	95.1	-173	0	0	0	0	0	111.4	R207 P208 A209 V251 L256 Y274 L348	R207-A276 PolarHBondContact O-N 2.91Å; P208-A276 WeakPolarHBondContact CA-O 3.36Å; P208-A276 HydrophobicContact CB-CB 4.31Å; A209-A276 PolarHBondContact N-O 3.49Å; V251-A276 WeakPolarHBondContact CB-O 3.33Å; V251-A276 WeakPolarHBondContact CG1-O 3.47Å; L256-A276 HydrophobicContact CD1-CB 3.72Å; Y274-A276 PolarHBondContact O-N 3.24Å; A276-L348 HydrophobicContact CB-CD1 3.89Å; A276-L348 HydrophobicContact CB-CD2 4.05Å; A276-L348 HydrophobicContact CB-CG 3.86Å
277	V	95.4	Very high	93.8	Very high	8 Å²	8	34.2 Å²	34.2	5%	0.048	18%	0.181	C	C	.	.			trans	-120.3	157.5	-175.6	-62.9	0	0	0	0	112.8	L169 A209 Q249 E275 L342	L169-V277 HydrophobicContact CD2-CG1 3.7Å; A209-V277 HydrophobicContact CB-CG1 4.18Å; Q249-V277 HydrophobicContact CG-CB 4.01Å; E275-V277 PolarHBondContact O-N 3.16Å; V277-L342 HydrophobicContact CB-CD2 4.37Å; V277-L342 HydrophobicContact CG1-CD2 3.5Å; V277-L342 HydrophobicContact CG2-CD2 4.1Å
278	G	93.5	Very high	94	Very high	2 Å²	2	29.2 Å²	29.2	2%	0.021	15%	0.148	C	C	.	.			trans	-79.3	169.3	172.2	0	0	0	0	0	113.4	Q249 P250 H280	Q249-G278 VanDerWaalsContact CG-O 3.27Å; Q249-G278 WeakPolarHBondContact CG-O 3.46Å; Q249-G278 PolarHBondContact NE2-O 3.24Å; Q249-G278 PolarHBondContact O-N 3.36Å; P250-G278 WeakPolarHBondContact O-CA 3.4Å; G278-H280 VanDerWaalsContact C-N 3.33Å; G278-H280 PolarHBondContact O-N 3.08Å
279	P	92.7	Very high	94.1	Very high	50 Å²	50	24.4 Å²	24.4	33%	0.325	13%	0.125	S	C	.	.	S	Bend	trans	-75.2	-16.6	-174.2	30.4	-35.8	0	0	0	114.5	L355 R356 K357	P279-L355 HydrophobicContact CB-CB 4.32Å; P279-L355 HydrophobicContact CB-CD1 4.38Å; P279-L355 HydrophobicContact CG-CB 4.38Å; P279-R356 WeakPolarHBondContact CD-O 3.26Å; P279-R356 WeakPolarHBondContact CG-O 3.49Å; P279-K357 HydrophobicContact CG-CG 4.35Å
280	H	93.7	Very high	94.3	Very high	35 Å²	35	24.9 Å²	24.9	16%	0.162	13%	0.127	C	C	.	.			trans	-132.6	138.3	-172.4	-64.8	-23.2	0	0	0	110.9	G278 Y282 K357 E359 I390	G278-H280 VanDerWaalsContact C-N 3.33Å; G278-H280 PolarHBondContact O-N 3.08Å; H280-Y282 HydrophobicContact CB-CE1 3.99Å; H280-Y282 HydrophobicContact CB-CE2 4.26Å; H280-Y282 WeakPolarHBondContact CB-OH 3.5Å; H280-K357 WeakPolarHBondContact NE2-CE 3.48Å; H280-E359 IonicContact CD2-OE1 3.85Å; H280-E359 PolarHBondContact CD2-OE1 2.9Å; H280-E359 IonicContact CD2-OE2 3.33Å; H280-I390 HydrophobicContact CB-CG1 4.44Å; H280-I390 HydrophobicContact CB-CG2 4.26Å
281	R	94.1	Very high	94.3	Very high	39 Å²	39	21.1 Å²	21.1	15%	0.147	11%	0.107	C	C	.	.			trans	-100	129.7	176.9	-54.8	179.5	79.7	-147	6.9	109.5	V247 K248 Q249 D340 Q391 Q393	V247-R281 HydrophobicContact CG1-CB 3.8Å; K248-R281 WeakPolarHBondContact O-CA 3.44Å; Q249-R281 HydrophobicContact CB-CG 4.08Å; Q249-R281 HydrophobicContact CG-CG 3.79Å; R281-D340 PolarHBondContact NH2-O 2.98Å; R281-Q391 HydrophobicContact CB-CB 4.22Å; R281-Q391 WeakPolarHBondContact CB-O 3.41Å; R281-Q391 PolarHBondContact O-N 2.9Å; R281-Q393 VanDerWaalsContact NH1-CG 3.33Å
282	Y	94.5	Very high	94.2	Very high	3 Å²	3	19.7 Å²	19.7	1%	0.012	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	140.5	-179.2	-50.2	-70.1	0	0	0	111	V247 K248 P250 H280 L358 E359 P388	V247-Y282 CarbonylContact C-O 3.36Å; V247-Y282 WeakPolarHBondContact CA-O 3.38Å; K248-Y282 PolarHBondContact N-O 3.45Å; K248-Y282 PolarHBondContact O-N 2.98Å; P250-Y282 HydrophobicContact CG-CD2 4.1Å; P250-Y282 HydrophobicContact CG-CE2 4.13Å; H280-Y282 HydrophobicContact CB-CE1 3.99Å; H280-Y282 HydrophobicContact CB-CE2 4.26Å; H280-Y282 WeakPolarHBondContact CB-OH 3.5Å; Y282-L358 HydrophobicContact CD2-CD2 4.32Å; Y282-L358 HydrophobicContact CE2-CB 4.24Å; Y282-L358 HydrophobicContact CE2-CD2 3.73Å; Y282-E359 PolarHBondContact OH-OE1 3.28Å; Y282-E359 PolarHBondContact OH-OE2 3.07Å; Y282-P388 HydrophobicContact CD1-CB 4.37Å; Y282-P388 HydrophobicContact CD1-CG 3.56Å; Y282-P388 HydrophobicContact CE1-CG 3.88Å; Y282-P388 HydrophobicContact CG-CG 4.38Å
283	R	94.4	Very high	93.9	Very high	63 Å²	63	18.4 Å²	18.4	24%	0.238	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	133.2	166	-148.4	174.2	70.6	-142.7	-11.5	108.4	K244 D285 D286 M287 Q391	K244-R283 WeakPolarHBondContact O-CD 3.29Å; K244-R283 WeakPolarHBondContact O-CG 3.47Å; R283-D285 VanDerWaalsContact C-N 3.26Å; R283-D285 WeakPolarHBondContact CG-OD1 3.28Å; R283-D285 IonicContact CZ-OD1 3.1Å; R283-D285 IonicContact CZ-OD2 3.57Å; R283-D285 IonicContact NE-OD1 2.93Å; R283-D285 PolarHBondContact NE-OD1 3.36Å; R283-D285 IonicContact NE-OD2 2.74Å; R283-D285 IonicContact NH2-OD1 3.98Å; R283-D285 PolarHBondContact NH2-OD1 3.16Å; R283-D285 IonicContact NH2-OD2 2.93Å; R283-D285 PolarHBondContact NH2-OD2 3.11Å; R283-D285 PolarHBondContact O-N 3.46Å; R283-D286 IonicContact CZ-OD2 3.39Å; R283-D286 IonicContact NE-OD2 3.35Å; R283-D286 IonicContact NH1-OD2 3.27Å; R283-D286 IonicContact NH2-OD1 3.35Å; R283-D286 PolarHBondContact NH2-OD1 2.73Å; R283-D286 VanDerWaalsContact NH2-OD1 3.12Å; R283-D286 IonicContact NH2-OD2 2.76Å; R283-D286 PolarHBondContact NH2-OD2 3.07Å; R283-D286 PolarHBondContact O-N 3.26Å; R283-D286 VanDerWaalsContact O-N 3.16Å; R283-M287 PolarHBondContact O-N 3.12Å; R283-Q391 HydrophobicContact CB-CG 4.45Å
284	L	94.4	Very high	93.6	Very high	3 Å²	3	18 Å²	18	2%	0.016	8%	0.083	C	C	.	.	H	α-helix	trans	-61	-35.3	-168.3	-179.6	62.5	0	0	0	112.5	F222 L239 T246 K248 M287 V288	F222-L284 HydrophobicContact CE1-CD1 4.45Å; F222-L284 HydrophobicContact CE2-CD1 4.05Å; F222-L284 HydrophobicContact CZ-CD1 3.78Å; L239-L284 HydrophobicContact CD1-CG 4.26Å; L239-L284 HydrophobicContact CD2-CD2 4.32Å; T246-L284 HydrophobicContact CG2-CB 4.15Å; T246-L284 HydrophobicContact CG2-CD2 3.93Å; T246-L284 WeakPolarHBondContact O-CB 3.43Å; T246-L284 PolarHBondContact O-N 2.9Å; K248-L284 HydrophobicContact CG-CD1 4.45Å; L284-M287 HydrophobicContact CD1-CE 3.85Å; L284-V288 HydrophobicContact CD1-CG2 4.16Å; L284-V288 HydrophobicContact CG-CG2 4.46Å; L284-V288 WeakPolarHBondContact O-CB 3.45Å; L284-V288 WeakPolarHBondContact O-CG2 3.24Å; L284-V288 PolarHBondContact O-N 2.87Å
285	D	93.9	Very high	93.2	Very high	4 Å²	4	17.3 Å²	17.3	2%	0.021	8%	0.081	C	C	.	.	H	α-helix	trans	-67.7	-40.1	178.5	74.4	-51.6	0	0	0	113	L239 S242 R283 V288 K289 I304	L239-D285 HydrophobicContact CD1-CB 4.24Å; S242-D285 VanDerWaalsContact O-CB 3.31Å; S242-D285 WeakPolarHBondContact O-CB 3.45Å; R283-D285 VanDerWaalsContact C-N 3.26Å; R283-D285 WeakPolarHBondContact CG-OD1 3.28Å; R283-D285 IonicContact CZ-OD1 3.1Å; R283-D285 IonicContact CZ-OD2 3.57Å; R283-D285 IonicContact NE-OD1 2.93Å; R283-D285 PolarHBondContact NE-OD1 3.36Å; R283-D285 IonicContact NE-OD2 2.74Å; R283-D285 IonicContact NH2-OD1 3.98Å; R283-D285 PolarHBondContact NH2-OD1 3.16Å; R283-D285 IonicContact NH2-OD2 2.93Å; R283-D285 PolarHBondContact NH2-OD2 3.11Å; R283-D285 PolarHBondContact O-N 3.46Å; D285-V288 PolarHBondContact O-N 3.43Å; D285-K289 VanDerWaalsContact O-CG 3.3Å; D285-K289 WeakPolarHBondContact O-CG 3.49Å; D285-K289 PolarHBondContact O-N 2.78Å; D285-K289 IonicContact OD2-NZ 3.71Å; D285-K289 PolarHBondContact OD2-NZ 3.2Å; D285-I304 HydrophobicContact CB-CD1 3.6Å; D285-I304 WeakPolarHBondContact O-CD1 3.3Å
286	D	93.9	Very high	92.7	Very high	21 Å²	21	17.9 Å²	17.9	11%	0.112	8%	0.083	C	C	.	.	H	α-helix	trans	-73.2	-38.9	178.3	-66.5	-25.7	0	0	0	111.6	R283 V288 K289 W290 P388 P389	R283-D286 IonicContact CZ-OD2 3.39Å; R283-D286 IonicContact NE-OD2 3.35Å; R283-D286 IonicContact NH1-OD2 3.27Å; R283-D286 IonicContact NH2-OD1 3.35Å; R283-D286 PolarHBondContact NH2-OD1 2.73Å; R283-D286 VanDerWaalsContact NH2-OD1 3.12Å; R283-D286 IonicContact NH2-OD2 2.76Å; R283-D286 PolarHBondContact NH2-OD2 3.07Å; R283-D286 PolarHBondContact O-N 3.26Å; R283-D286 VanDerWaalsContact O-N 3.16Å; D286-V288 VanDerWaalsContact C-N 3.34Å; D286-V288 PolarHBondContact O-N 3.09Å; D286-K289 PolarHBondContact O-N 3.38Å; D286-K289 IonicContact OD1-NZ 3.62Å; D286-K289 PolarHBondContact OD1-NZ 2.92Å; D286-W290 WeakPolarHBondContact O-CB 3.3Å; D286-W290 PolarHBondContact O-N 3.01Å; D286-P388 HydrophobicContact CB-CB 3.96Å; D286-P389 WeakPolarHBondContact OD2-CG 3.3Å
287	M	93.8	Very high	92.2	Very high	0 Å²	0	19.4 Å²	19.4	0%	0	9%	0.089	C	C	.	.	H	α-helix	trans	-59.9	-43.6	171.4	-167.9	-164.8	81.8	0	0	111.7	F218 F222 R283 L284 W290 I291	F218-M287 HydrophobicContact CE1-CE 3.62Å; F218-M287 HydrophobicContact CE1-SD 3.67Å; F218-M287 HydrophobicContact CE2-CE 4.29Å; F218-M287 HydrophobicContact CZ-CE 3.44Å; F218-M287 VanDerWaalsContact CZ-CE 3.44Å; F218-M287 HydrophobicContact CZ-SD 3.75Å; F222-M287 HydrophobicContact CD2-CE 3.85Å; F222-M287 HydrophobicContact CE2-CE 3.8Å; R283-M287 PolarHBondContact O-N 3.12Å; L284-M287 HydrophobicContact CD1-CE 3.85Å; M287-W290 PolarHBondContact O-N 3.23Å; M287-I291 HydrophobicContact CE-CD1 4.04Å; M287-I291 HydrophobicContact CG-CD1 4.46Å; M287-I291 WeakPolarHBondContact O-CG1 3.28Å; M287-I291 PolarHBondContact O-N 3.3Å
288	V	93.6	Very high	91.8	Very high	0 Å²	0	22.3 Å²	22.3	0%	0	10%	0.103	C	C	.	.	H	α-helix	trans	-66.4	-47.3	177.8	166	0	0	0	0	111.3	F222 I237 L239 L284 D285 D286 W290 I291 Y292 I304	F222-V288 HydrophobicContact CB-CG2 4.45Å; F222-V288 HydrophobicContact CD1-CG2 3.88Å; F222-V288 HydrophobicContact CD2-CG2 4.41Å; F222-V288 HydrophobicContact CE1-CG2 4.25Å; F222-V288 HydrophobicContact CG-CG2 3.99Å; I237-V288 HydrophobicContact CB-CG1 4.2Å; I237-V288 HydrophobicContact CD1-CG1 4.27Å; I237-V288 HydrophobicContact CG1-CG1 4.22Å; I237-V288 HydrophobicContact CG2-CG1 3.93Å; L239-V288 HydrophobicContact CD1-CB 4.49Å; L239-V288 HydrophobicContact CD1-CG2 4.37Å; L239-V288 HydrophobicContact CD2-CG2 4.38Å; L284-V288 HydrophobicContact CD1-CG2 4.16Å; L284-V288 HydrophobicContact CG-CG2 4.46Å; L284-V288 WeakPolarHBondContact O-CB 3.45Å; L284-V288 WeakPolarHBondContact O-CG2 3.24Å; L284-V288 PolarHBondContact O-N 2.87Å; D285-V288 PolarHBondContact O-N 3.43Å; D286-V288 VanDerWaalsContact C-N 3.34Å; D286-V288 PolarHBondContact O-N 3.09Å; V288-W290 VanDerWaalsContact C-N 3.27Å; V288-W290 PolarHBondContact O-N 2.97Å; V288-I291 PolarHBondContact O-N 2.73Å; V288-Y292 HydrophobicContact CG1-CD2 4.07Å; V288-Y292 HydrophobicContact CG1-CE2 4.12Å; V288-Y292 VanDerWaalsContact O-CD2 3.28Å; V288-Y292 WeakPolarHBondContact O-CD2 3.42Å; V288-Y292 PolarHBondContact O-N 3.16Å; V288-Y292 VanDerWaalsContact O-N 3.16Å; V288-I304 HydrophobicContact CB-CD1 4.29Å; V288-I304 HydrophobicContact CG1-CD1 4.16Å
289	K	92.8	Very high	91.4	Very high	62 Å²	62	26.8 Å²	26.8	27%	0.27	13%	0.133	S	C	.	.	H	α-helix	trans	-53.3	-47.2	174.1	-73.5	160.3	-168.5	150.1	0	111.2	D285 D286 I291 Y292 F293 I304	D285-K289 VanDerWaalsContact O-CG 3.3Å; D285-K289 WeakPolarHBondContact O-CG 3.49Å; D285-K289 PolarHBondContact O-N 2.78Å; D285-K289 IonicContact OD2-NZ 3.71Å; D285-K289 PolarHBondContact OD2-NZ 3.2Å; D286-K289 PolarHBondContact O-N 3.38Å; D286-K289 IonicContact OD1-NZ 3.62Å; D286-K289 PolarHBondContact OD1-NZ 2.92Å; K289-I291 PolarHBondContact O-N 3.44Å; K289-Y292 PolarHBondContact O-N 3.26Å; K289-F293 HydrophobicContact CB-CE2 3.95Å; K289-F293 HydrophobicContact CB-CZ 3.98Å; K289-F293 HydrophobicContact CG-CZ 4.5Å; K289-F293 VanDerWaalsContact O-CG 3.28Å; K289-F293 WeakPolarHBondContact O-CG 3.41Å; K289-F293 PolarHBondContact O-N 3.2Å; K289-I304 HydrophobicContact CD-CD1 4.4Å; K289-I304 HydrophobicContact CG-CD1 3.84Å; K289-I304 HydrophobicContact CG-CG1 4.49Å
290	W	92.9	Very high	91.1	Very high	11 Å²	11	28.1 Å²	28.1	4%	0.042	14%	0.143	C	C	.	.	H	α-helix	trans	-60.6	-45.2	-180	-177.9	55.7	0	0	0	112.5	D286 M287 V288 Y292 F293 L294 L358 E359 I362 P387 P388	D286-W290 WeakPolarHBondContact O-CB 3.3Å; D286-W290 PolarHBondContact O-N 3.01Å; M287-W290 PolarHBondContact O-N 3.23Å; V288-W290 VanDerWaalsContact C-N 3.27Å; V288-W290 PolarHBondContact O-N 2.97Å; W290-Y292 PolarHBondContact O-N 3.31Å; W290-F293 PolarHBondContact O-N 2.74Å; W290-F293 VanDerWaalsContact O-N 3.16Å; W290-L294 HydrophobicContact CD2-CD1 3.98Å; W290-L294 HydrophobicContact CG-CD1 4.2Å; W290-L294 HydrophobicContact CZ2-CD1 4.42Å; W290-L294 WeakPolarHBondContact O-CB 3.43Å; W290-L294 VanDerWaalsContact O-CG 3.26Å; W290-L294 WeakPolarHBondContact O-CG 3.32Å; W290-L294 PolarHBondContact O-N 3.46Å; W290-L358 HydrophobicContact CH2-CG 4.18Å; W290-L358 HydrophobicContact CZ3-CD2 3.9Å; W290-L358 HydrophobicContact CZ3-CG 3.97Å; W290-E359 HydrophobicContact CH2-CB 4.3Å; W290-E359 HydrophobicContact CH2-CG 3.89Å; W290-E359 HydrophobicContact CZ2-CB 4.38Å; W290-E359 HydrophobicContact CZ2-CG 4.09Å; W290-I362 HydrophobicContact CD2-CD1 4.19Å; W290-I362 HydrophobicContact CE3-CD1 3.58Å; W290-I362 HydrophobicContact CH2-CB 4.35Å; W290-I362 HydrophobicContact CH2-CD1 3.98Å; W290-I362 HydrophobicContact CH2-CG2 3.67Å; W290-I362 HydrophobicContact CZ2-CG2 3.67Å; W290-I362 HydrophobicContact CZ3-CD1 3.46Å; W290-I362 VanDerWaalsContact CZ3-CD1 3.46Å; W290-I362 HydrophobicContact CZ3-CG2 4.3Å; W290-P387 HydrophobicContact CZ2-CB 4.34Å; W290-P388 VanDerWaalsContact CD2-CD 3.4Å; W290-P388 HydrophobicContact CD2-CG 4.1Å; W290-P388 HydrophobicContact CE3-CG 3.79Å; W290-P388 HydrophobicContact CG-CG 4.49Å; W290-P388 HydrophobicContact CZ3-CG 4.11Å
291	I	92.6	Very high	90.8	Very high	0 Å²	0	27.3 Å²	27.3	0%	0	14%	0.139	C	C	.	.	H	α-helix	trans	-54.2	-40.6	172	-68.4	163	0	0	0	111.4	L219 F222 A223 M287 V288 K289 C295 I362 V366	L219-I291 HydrophobicContact CD2-CD1 3.73Å; L219-I291 HydrophobicContact CD2-CG1 4.27Å; F222-I291 HydrophobicContact CB-CD1 4.11Å; F222-I291 HydrophobicContact CD2-CD1 4.42Å; A223-I291 HydrophobicContact CB-CG2 3.94Å; M287-I291 HydrophobicContact CE-CD1 4.04Å; M287-I291 HydrophobicContact CG-CD1 4.46Å; M287-I291 WeakPolarHBondContact O-CG1 3.28Å; M287-I291 PolarHBondContact O-N 3.3Å; V288-I291 PolarHBondContact O-N 2.73Å; K289-I291 PolarHBondContact O-N 3.44Å; I291-C295 PolarHBondContact O-N 2.97Å; I291-C295 PolarHBondContact O-SG 2.71Å; I291-I362 HydrophobicContact CG1-CD1 4.07Å; I291-V366 HydrophobicContact CG2-CG1 4.22Å; I291-V366 HydrophobicContact CG2-CG2 4.42Å
292	Y	91.2	Very high	90.7	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.137	C	C	.	.	H	α-helix	trans	-73.3	-36.5	178.6	-82.2	-78.9	0	0	0	113.6	F222 R228 V235 I237 V288 K289 W290 L294 C295 R296 Y297 V302	F222-Y292 PolarHBondContact O-OH 3.08Å; R228-Y292 WeakPolarHBondContact CD-OH 3.44Å; R228-Y292 HydrophobicContact CG-CE1 4.19Å; R228-Y292 WeakPolarHBondContact CG-OH 3.21Å; R228-Y292 PolarHBondContact NE-OH 2.87Å; V235-Y292 HydrophobicContact CG1-CD1 4.21Å; V235-Y292 HydrophobicContact CG1-CE1 3.79Å; I237-Y292 HydrophobicContact CD1-CD2 3.6Å; I237-Y292 HydrophobicContact CD1-CE2 3.58Å; I237-Y292 HydrophobicContact CD1-CG 4.17Å; I237-Y292 HydrophobicContact CG1-CD2 4.06Å; I237-Y292 HydrophobicContact CG1-CE2 3.5Å; I237-Y292 VanDerWaalsContact CG1-CE2 3.5Å; V288-Y292 HydrophobicContact CG1-CD2 4.07Å; V288-Y292 HydrophobicContact CG1-CE2 4.12Å; V288-Y292 VanDerWaalsContact O-CD2 3.28Å; V288-Y292 WeakPolarHBondContact O-CD2 3.42Å; V288-Y292 PolarHBondContact O-N 3.16Å; V288-Y292 VanDerWaalsContact O-N 3.16Å; K289-Y292 PolarHBondContact O-N 3.26Å; W290-Y292 PolarHBondContact O-N 3.31Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; Y292-C295 CarbonylContact O-C 3.32Å; Y292-C295 WeakPolarHBondContact O-CA 3.18Å; Y292-C295 WeakPolarHBondContact O-CB 3.22Å; Y292-C295 PolarHBondContact O-N 3.48Å; Y292-R296 PolarHBondContact O-N 3.5Å; Y292-Y297 AromaticContact CD1-CD2 3.8Å; Y292-Y297 HydrophobicContact CD1-CD2 3.8Å; Y292-Y297 HydrophobicContact CD1-CE2 4.19Å; Y292-Y297 HydrophobicContact CD1-CG 4.25Å; Y292-Y297 WeakPolarHBondContact O-CB 3.34Å; Y292-Y297 WeakPolarHBondContact O-CD2 3.48Å; Y292-Y297 PolarHBondContact O-N 3.29Å; Y292-V302 HydrophobicContact CG-CG1 4.33Å; Y292-V302 HydrophobicContact CG-CG2 4.41Å
293	F	89.6	Confident	90.5	Very high	53 Å²	53	31.3 Å²	31.3	23%	0.232	16%	0.157	C	C	.	.	H	α-helix	trans	-66.6	-37.9	173.7	-55.4	-25.6	0	0	0	111.5	K289 W290 C295 R296 P299 V302 P385	K289-F293 HydrophobicContact CB-CE2 3.95Å; K289-F293 HydrophobicContact CB-CZ 3.98Å; K289-F293 HydrophobicContact CG-CZ 4.5Å; K289-F293 VanDerWaalsContact O-CG 3.28Å; K289-F293 WeakPolarHBondContact O-CG 3.41Å; K289-F293 PolarHBondContact O-N 3.2Å; W290-F293 PolarHBondContact O-N 2.74Å; W290-F293 VanDerWaalsContact O-N 3.16Å; F293-C295 VanDerWaalsContact C-N 3.32Å; F293-C295 PolarHBondContact O-N 2.81Å; F293-R296 WeakPolarHBondContact O-CA 3.41Å; F293-R296 PolarHBondContact O-N 3.02Å; F293-P299 HydrophobicContact CE1-CB 4.28Å; F293-P299 HydrophobicContact CE1-CG 4.25Å; F293-P299 HydrophobicContact CZ-CB 4.37Å; F293-P299 HydrophobicContact CZ-CG 4.45Å; F293-V302 HydrophobicContact CD1-CG2 4.32Å; F293-V302 HydrophobicContact CE1-CB 4.16Å; F293-V302 HydrophobicContact CE1-CG2 4.04Å; F293-P385 HydrophobicContact CB-CB 3.53Å; F293-P385 HydrophobicContact CB-CG 3.77Å; F293-P385 HydrophobicContact CD2-CB 4.08Å; F293-P385 HydrophobicContact CG-CB 4.28Å
294	L	89.1	Confident	90.4	Very high	8 Å²	8	30 Å²	30	4%	0.042	15%	0.154	C	C	.	.	H	α-helix	trans	-66.4	-32.1	171.4	-65.3	171.3	0	0	0	112.6	W290 Y292 R296 I362 N363 V366 P385	W290-L294 HydrophobicContact CD2-CD1 3.98Å; W290-L294 HydrophobicContact CG-CD1 4.2Å; W290-L294 HydrophobicContact CZ2-CD1 4.42Å; W290-L294 WeakPolarHBondContact O-CB 3.43Å; W290-L294 VanDerWaalsContact O-CG 3.26Å; W290-L294 WeakPolarHBondContact O-CG 3.32Å; W290-L294 PolarHBondContact O-N 3.46Å; Y292-L294 VanDerWaalsContact C-N 3.35Å; L294-R296 PolarHBondContact O-N 2.94Å; L294-R296 VanDerWaalsContact O-N 3.16Å; L294-I362 HydrophobicContact CD1-CB 4.24Å; L294-I362 HydrophobicContact CD1-CD1 3.67Å; L294-I362 HydrophobicContact CD1-CG1 3.71Å; L294-I362 HydrophobicContact CD1-CG2 3.55Å; L294-N363 WeakPolarHBondContact CD2-OD1 3.39Å; L294-V366 HydrophobicContact CB-CG1 4.26Å; L294-P385 HydrophobicContact CD2-CG 3.55Å; L294-P385 HydrophobicContact CG-CG 3.89Å
295	C	88	Confident	90.2	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.9	2.5	167	-67.6	0	0	0	0	113.8	I291 Y292 F293 Y297 V366 R370 R371	I291-C295 PolarHBondContact O-N 2.97Å; I291-C295 PolarHBondContact O-SG 2.71Å; Y292-C295 CarbonylContact O-C 3.32Å; Y292-C295 WeakPolarHBondContact O-CA 3.18Å; Y292-C295 WeakPolarHBondContact O-CB 3.22Å; Y292-C295 PolarHBondContact O-N 3.48Å; F293-C295 VanDerWaalsContact C-N 3.32Å; F293-C295 PolarHBondContact O-N 2.81Å; C295-Y297 HydrophobicContact CB-CD2 3.63Å; C295-Y297 HydrophobicContact CB-CE2 3.78Å; C295-V366 WeakPolarHBondContact SG-CG1 3.41Å; C295-R370 CarbonylContact O-C 3.52Å; C295-R370 WeakPolarHBondContact O-CA 3.49Å; C295-R371 PolarHBondContact O-N 2.52Å
296	R	86.3	Confident	90.1	Very high	13 Å²	13	35.5 Å²	35.5	5%	0.049	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	61.1	42.6	-176.4	-48.9	-54	-166.5	173.7	0.5	113.8	Y292 F293 L294 R370 Y375 D377 F382 P383	Y292-R296 PolarHBondContact O-N 3.5Å; F293-R296 WeakPolarHBondContact O-CA 3.41Å; F293-R296 PolarHBondContact O-N 3.02Å; L294-R296 PolarHBondContact O-N 2.94Å; L294-R296 VanDerWaalsContact O-N 3.16Å; R296-R370 HydrophobicContact CG-CG 4.41Å; R296-Y375 HydrophobicContact CG-CD1 4.3Å; R296-Y375 HydrophobicContact CG-CE1 4.44Å; R296-D377 IonicContact CZ-OD1 3.93Å; R296-D377 IonicContact NE-OD1 3.99Å; R296-D377 IonicContact NH2-OD1 2.77Å; R296-D377 PolarHBondContact NH2-OD1 3.33Å; R296-F382 HydrophobicContact CB-CD1 4.12Å; R296-F382 HydrophobicContact CB-CD2 4.05Å; R296-F382 HydrophobicContact CB-CE1 4.2Å; R296-F382 HydrophobicContact CB-CE2 4.15Å; R296-F382 HydrophobicContact CB-CG 4.05Å; R296-F382 HydrophobicContact CB-CZ 4.22Å; R296-F382 HydrophobicContact CG-CD2 4.22Å; R296-F382 HydrophobicContact CG-CG 4.32Å; R296-F382 PolarHBondContact NH1-O 2.91Å; R296-P383 PolarHBondContact NH1-O 3.19Å
297	Y	86.6	Confident	89.8	Confident	33 Å²	33	35.9 Å²	35.9	13%	0.129	19%	0.191	C	C	.	.			trans	-92.7	143.5	161.9	-70.8	-91	0	0	0	110.2	R228 V235 Y292 C295 E301 R371	R228-Y297 VanDerWaalsContact NH1-CZ 3.28Å; R228-Y297 PolarHBondContact NH1-OH 3.41Å; V235-Y297 HydrophobicContact CG2-CD1 3.73Å; V235-Y297 HydrophobicContact CG2-CE1 3.58Å; Y292-Y297 AromaticContact CD1-CD2 3.8Å; Y292-Y297 HydrophobicContact CD1-CD2 3.8Å; Y292-Y297 HydrophobicContact CD1-CE2 4.19Å; Y292-Y297 HydrophobicContact CD1-CG 4.25Å; Y292-Y297 WeakPolarHBondContact O-CB 3.34Å; Y292-Y297 WeakPolarHBondContact O-CD2 3.48Å; Y292-Y297 PolarHBondContact O-N 3.29Å; C295-Y297 HydrophobicContact CB-CD2 3.63Å; C295-Y297 HydrophobicContact CB-CE2 3.78Å; Y297-E301 WeakPolarHBondContact CD1-OE2 3.32Å; Y297-R371 HydrophobicContact CE1-CG 4.24Å; Y297-R371 HydrophobicContact CE2-CB 4.1Å
298	L	85.4	Confident	89.5	Confident	68 Å²	68	38.2 Å²	38.2	36%	0.356	21%	0.207	S	C	.	.			trans	-75.9	151.9	179.1	-64.3	172.6	0	0	0	111.2	S300 E301 V302 F382	L298-S300 PolarHBondContact O-N 2.76Å; L298-S300 VanDerWaalsContact O-N 3.14Å; L298-E301 HydrophobicContact CB-CG 4.03Å; L298-E301 PolarHBondContact N-OE2 3.17Å; L298-E301 WeakPolarHBondContact O-CB 3.31Å; L298-E301 PolarHBondContact O-N 3.38Å; L298-V302 PolarHBondContact O-N 3.3Å; L298-F382 HydrophobicContact CD2-CD1 4.09Å; L298-F382 HydrophobicContact CD2-CE1 3.88Å; L298-F382 HydrophobicContact CG-CE1 4.36Å
299	P	86.1	Confident	89.4	Confident	97 Å²	97	43.4 Å²	43.4	63%	0.63	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-29.3	174.6	-28.5	36.7	0	0	0	114.6	F293 E301	F293-P299 HydrophobicContact CE1-CB 4.28Å; F293-P299 HydrophobicContact CE1-CG 4.25Å; F293-P299 HydrophobicContact CZ-CB 4.37Å; F293-P299 HydrophobicContact CZ-CG 4.45Å; P299-E301 VanDerWaalsContact C-N 3.31Å
300	S	86.2	Confident	89.3	Confident	78 Å²	78	46.8 Å²	46.8	55%	0.545	26%	0.261	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.4	174	51.3	0	0	0	0	114.5	L298 Y303	L298-S300 PolarHBondContact O-N 2.76Å; L298-S300 VanDerWaalsContact O-N 3.14Å; S300-Y303 VanDerWaalsContact O-CE2 3.25Å; S300-Y303 WeakPolarHBondContact O-CE2 3.4Å; S300-Y303 PolarHBondContact O-OH 2.83Å; S300-Y303 VanDerWaalsContact O-OH 3.13Å
301	E	87.7	Confident	89.2	Confident	18 Å²	18	46.5 Å²	46.5	8%	0.084	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.8	-22.5	-179.4	-66.5	170.6	176.2	0	0	112.3	S234 V235 Y297 L298 P299 R371	S234-E301 CarbonylContact C-O 3.55Å; S234-E301 WeakPolarHBondContact CA-O 3.15Å; V235-E301 PolarHBondContact N-O 2.81Å; Y297-E301 WeakPolarHBondContact CD1-OE2 3.32Å; L298-E301 HydrophobicContact CB-CG 4.03Å; L298-E301 PolarHBondContact N-OE2 3.17Å; L298-E301 WeakPolarHBondContact O-CB 3.31Å; L298-E301 PolarHBondContact O-N 3.38Å; P299-E301 VanDerWaalsContact C-N 3.31Å; E301-R371 IonicContact OE1-CZ 2.7Å; E301-R371 IonicContact OE1-NH1 2.84Å; E301-R371 PolarHBondContact OE1-NH1 3.35Å; E301-R371 IonicContact OE2-CZ 3.98Å; E301-R371 IonicContact OE2-NH1 2.97Å; E301-R371 PolarHBondContact OE2-NH1 3.16Å
302	V	90.8	Very high	89.2	Confident	16 Å²	16	48.8 Å²	48.8	10%	0.097	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	112.9	-167.5	-177.4	0	0	0	0	111.7	I237 Y292 F293 L298	I237-V302 HydrophobicContact CD1-CG1 3.8Å; Y292-V302 HydrophobicContact CG-CG1 4.33Å; Y292-V302 HydrophobicContact CG-CG2 4.41Å; F293-V302 HydrophobicContact CD1-CG2 4.32Å; F293-V302 HydrophobicContact CE1-CB 4.16Å; F293-V302 HydrophobicContact CE1-CG2 4.04Å; L298-V302 PolarHBondContact O-N 3.3Å
303	Y	91.8	Very high	89.2	Confident	110 Å²	110	51.1 Å²	51.1	43%	0.431	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	122.2	179.6	-65.1	-87	0	0	0	111.5	V235 H236 I237 S300	V235-Y303 PolarHBondContact O-N 3.42Å; H236-Y303 CarbonylContact C-O 3.57Å; H236-Y303 VanDerWaalsContact CA-O 3.3Å; H236-Y303 WeakPolarHBondContact CA-O 3.48Å; I237-Y303 PolarHBondContact N-O 3.12Å; S300-Y303 VanDerWaalsContact O-CE2 3.25Å; S300-Y303 WeakPolarHBondContact O-CE2 3.4Å; S300-Y303 PolarHBondContact O-OH 2.83Å; S300-Y303 VanDerWaalsContact O-OH 3.13Å
304	I	92	Very high	89.2	Confident	36 Å²	36	51.6 Å²	51.6	19%	0.185	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	119.2	169.6	-66.4	-175.8	0	0	0	108.7	I237 L239 S242 D285 V288 K289	I237-I304 WeakPolarHBondContact O-CA 3.1Å; L239-I304 HydrophobicContact CB-CG2 4.24Å; L239-I304 HydrophobicContact CD1-CD1 3.98Å; L239-I304 HydrophobicContact CD1-CG2 3.73Å; L239-I304 HydrophobicContact CG-CG2 3.99Å; S242-I304 WeakPolarHBondContact O-CG2 3.18Å; D285-I304 HydrophobicContact CB-CD1 3.6Å; D285-I304 WeakPolarHBondContact O-CD1 3.3Å; V288-I304 HydrophobicContact CB-CD1 4.29Å; V288-I304 HydrophobicContact CG1-CD1 4.16Å; K289-I304 HydrophobicContact CD-CD1 4.4Å; K289-I304 HydrophobicContact CG-CD1 3.84Å; K289-I304 HydrophobicContact CG-CG1 4.49Å
305	T	90.9	Very high	89.3	Confident	37 Å²	37	51.2 Å²	51.2	23%	0.227	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	158.4	-178.6	62.6	0	0	0	0	110.3	H236 I237 P238 L239	H236-T305 HydrophobicContact CB-CG2 4.08Å; I237-T305 PolarHBondContact O-N 2.99Å; P238-T305 CarbonylContact C-O 3.51Å; P238-T305 VanDerWaalsContact CA-O 3.3Å; P238-T305 WeakPolarHBondContact CA-O 3.35Å; P238-T305 WeakPolarHBondContact CA-OG1 3.49Å; L239-T305 PolarHBondContact N-O 2.66Å
306	P	90.4	Very high	89.4	Confident	84 Å²	84	56.2 Å²	56.2	55%	0.545	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	162.7	162.6	28.5	-35.1	0	0	0	110.9	S308	P306-S308 PolarHBondContact O-N 3.05Å
307	M	88.5	Confident	89.6	Confident	30 Å²	30	60.3 Å²	60.3	15%	0.148	33%	0.331	C	S	.	.			trans	-62.1	102.5	172.7	-65.7	-62.8	-166.7	0	0	110.8	P238 L239 F311 L312 L333 E336	P238-M307 HydrophobicContact CB-SD 3.76Å; P238-M307 HydrophobicContact CG-SD 4.38Å; L239-M307 PolarHBondContact O-N 3.13Å; M307-F311 HydrophobicContact CE-CE1 4.05Å; M307-F311 HydrophobicContact SD-CD1 3.48Å; M307-F311 WeakPolarHBondContact SD-CD1 3.06Å; M307-F311 HydrophobicContact SD-CE1 3.4Å; M307-F311 WeakPolarHBondContact SD-CE1 3.28Å; M307-L312 HydrophobicContact CB-CD2 4.19Å; M307-L312 HydrophobicContact CB-CG 4.43Å; M307-L333 HydrophobicContact CE-CD1 4.41Å; M307-L333 HydrophobicContact CE-CD2 3.91Å; M307-E336 WeakPolarHBondContact CE-OE1 3.36Å
308	S	87.9	Confident	89.7	Confident	48 Å²	48	62.8 Å²	62.8	34%	0.336	34%	0.341	S	S	.	.			trans	-74.9	151.8	179.4	71.3	0	0	0	0	111.8	P306 L310 F311 L312	P306-S308 PolarHBondContact O-N 3.05Å; S308-L310 PolarHBondContact O-N 3.33Å; S308-L310 VanDerWaalsContact O-N 3.16Å; S308-F311 WeakPolarHBondContact O-CB 3.25Å; S308-F311 PolarHBondContact O-N 3.21Å; S308-F311 PolarHBondContact OG-N 3.38Å; S308-L312 PolarHBondContact O-N 2.74Å
309	P	90.4	Very high	89.7	Confident	110 Å²	110	62.6 Å²	62.6	71%	0.714	34%	0.338	S	S	*	.	H	α-helix	trans	-55.1	-34.2	175	-27.4	35.6	0	0	0	113.1	L312 A313	P309-L312 PolarHBondContact O-N 3.48Å; P309-A313 WeakPolarHBondContact O-CB 3.28Å; P309-A313 PolarHBondContact O-N 2.72Å
310	L	90.3	Very high	89.7	Confident	132 Å²	132	64.5 Å²	64.5	69%	0.691	34%	0.337	S	S	*	.	H	α-helix	trans	-65	-39.2	174.8	-65.4	174	0	0	0	112.5	S308 R314	S308-L310 PolarHBondContact O-N 3.33Å; S308-L310 VanDerWaalsContact O-N 3.16Å; L310-R314 WeakPolarHBondContact O-CB 3.38Å; L310-R314 PolarHBondContact O-N 2.98Å
311	F	90.7	Very high	89.6	Confident	6 Å²	6	66.2 Å²	66.2	3%	0.026	34%	0.344	C	S	.	.	H	α-helix	trans	-69.2	-38.5	175.3	178.2	-102.4	0	0	0	112.1	P238 M307 S308 R314 T315 L328 L333	P238-F311 HydrophobicContact CB-CB 4.43Å; P238-F311 HydrophobicContact CB-CD1 4.01Å; P238-F311 HydrophobicContact CB-CD2 4.41Å; P238-F311 HydrophobicContact CB-CE1 4.36Å; P238-F311 HydrophobicContact CB-CG 4.02Å; P238-F311 HydrophobicContact CG-CB 4.24Å; P238-F311 HydrophobicContact CG-CD1 3.71Å; P238-F311 HydrophobicContact CG-CD2 3.4Å; P238-F311 VanDerWaalsContact CG-CD2 3.4Å; P238-F311 HydrophobicContact CG-CE1 3.81Å; P238-F311 HydrophobicContact CG-CE2 3.5Å; P238-F311 VanDerWaalsContact CG-CE2 3.5Å; P238-F311 HydrophobicContact CG-CG 3.49Å; P238-F311 VanDerWaalsContact CG-CG 3.49Å; P238-F311 HydrophobicContact CG-CZ 3.69Å; M307-F311 HydrophobicContact CE-CE1 4.05Å; M307-F311 HydrophobicContact SD-CD1 3.48Å; M307-F311 WeakPolarHBondContact SD-CD1 3.06Å; M307-F311 HydrophobicContact SD-CE1 3.4Å; M307-F311 WeakPolarHBondContact SD-CE1 3.28Å; S308-F311 WeakPolarHBondContact O-CB 3.25Å; S308-F311 PolarHBondContact O-N 3.21Å; S308-F311 PolarHBondContact OG-N 3.38Å; F311-R314 PolarHBondContact O-N 2.83Å; F311-T315 WeakPolarHBondContact O-CB 3.38Å; F311-T315 PolarHBondContact O-N 2.96Å; F311-T315 PolarHBondContact O-OG1 3.1Å; F311-L328 HydrophobicContact CE1-CD1 4.32Å; F311-L328 HydrophobicContact CE2-CD1 4.21Å; F311-L328 HydrophobicContact CE2-CD2 3.94Å; F311-L328 HydrophobicContact CZ-CD1 3.59Å; F311-L328 HydrophobicContact CZ-CD2 4.14Å; F311-L333 HydrophobicContact CE1-CD1 3.86Å; F311-L333 HydrophobicContact CE1-CD2 4.01Å; F311-L333 HydrophobicContact CZ-CD2 4.23Å
312	L	92.3	Very high	89.2	Confident	48 Å²	48	67 Å²	67	25%	0.251	35%	0.353	S	S	.	.	H	α-helix	trans	-68.2	-39.3	175.6	-60.5	178.1	0	0	0	111.5	V179 M307 S308 P309 T315 Y316 F330 L333	V179-L312 HydrophobicContact CG1-CD2 3.58Å; M307-L312 HydrophobicContact CB-CD2 4.19Å; M307-L312 HydrophobicContact CB-CG 4.43Å; S308-L312 PolarHBondContact O-N 2.74Å; P309-L312 PolarHBondContact O-N 3.48Å; L312-T315 WeakPolarHBondContact O-CB 3.46Å; L312-T315 PolarHBondContact O-N 3.42Å; L312-Y316 PolarHBondContact O-N 3.43Å; L312-F330 HydrophobicContact CB-CE1 4.49Å; L312-F330 HydrophobicContact CD2-CE1 4.18Å; L312-F330 WeakPolarHBondContact O-CZ 3.28Å; L312-L333 HydrophobicContact CD2-CD1 4.2Å
313	A	91.9	Very high	88.1	Confident	48 Å²	48	70 Å²	70	40%	0.397	37%	0.373	S	S	.	.	H	α-helix	trans	-62.7	-43.5	171.7	0	0	0	0	0	111.8	P309 T315 Y316 I317	P309-A313 WeakPolarHBondContact O-CB 3.28Å; P309-A313 PolarHBondContact O-N 2.72Å; A313-T315 PolarHBondContact O-N 2.73Å; A313-Y316 PolarHBondContact O-N 2.68Å; A313-I317 WeakPolarHBondContact O-CG1 3.45Å; A313-I317 PolarHBondContact O-N 2.78Å
314	R	90.2	Very high	86.9	Confident	63 Å²	63	69.3 Å²	69.3	24%	0.238	38%	0.38	C	S	.	.	H	α-helix	trans	-58.3	-47.5	172.4	-177.1	-178.1	-179.1	-171.4	2.9	111.4	P226 R228 L310 F311 Y316 I317 Y318	P226-R314 PolarHBondContact O-NH1 3.08Å; R228-R314 PolarHBondContact O-NH1 3.16Å; L310-R314 WeakPolarHBondContact O-CB 3.38Å; L310-R314 PolarHBondContact O-N 2.98Å; F311-R314 PolarHBondContact O-N 2.83Å; R314-Y316 VanDerWaalsContact C-N 3.3Å; R314-Y316 PolarHBondContact O-N 3.26Å; R314-I317 PolarHBondContact O-N 2.82Å; R314-Y318 HydrophobicContact CG-CD2 3.7Å; R314-Y318 HydrophobicContact CG-CE2 3.68Å; R314-Y318 PolarHBondContact NH2-OH 3.25Å; R314-Y318 WeakPolarHBondContact O-CD2 3.38Å; R314-Y318 PolarHBondContact O-N 2.76Å
315	T	90.6	Very high	85.7	Confident	0 Å²	0	74.8 Å²	74.8	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-55	-46.8	176.4	-58.8	0	0	0	0	111.1	F311 L312 A313 I317 Y318 E319 L328 F330 L333	F311-T315 WeakPolarHBondContact O-CB 3.38Å; F311-T315 PolarHBondContact O-N 2.96Å; F311-T315 PolarHBondContact O-OG1 3.1Å; L312-T315 WeakPolarHBondContact O-CB 3.46Å; L312-T315 PolarHBondContact O-N 3.42Å; A313-T315 PolarHBondContact O-N 2.73Å; T315-I317 PolarHBondContact O-N 3.47Å; T315-Y318 PolarHBondContact O-N 2.61Å; T315-E319 WeakPolarHBondContact O-CB 3.48Å; T315-E319 PolarHBondContact O-N 3.23Å; T315-L328 HydrophobicContact CG2-CD1 4.22Å; T315-L328 HydrophobicContact CG2-CG 3.99Å; T315-F330 HydrophobicContact CG2-CD1 4.07Å; T315-F330 HydrophobicContact CG2-CD2 3.99Å; T315-F330 HydrophobicContact CG2-CE1 4.04Å; T315-F330 HydrophobicContact CG2-CE2 3.95Å; T315-F330 HydrophobicContact CG2-CG 4.04Å; T315-F330 HydrophobicContact CG2-CZ 3.98Å; T315-L333 HydrophobicContact CG2-CD1 3.83Å; T315-L333 HydrophobicContact CG2-CG 4.49Å
316	Y	90.7	Very high	84.4	Confident	105 Å²	105	73.9 Å²	73.9	41%	0.412	40%	0.4	S	S	.	.	H	α-helix	trans	-61.9	-41.5	177.5	-177.9	-114.4	0	0	0	113.6	L312 A313 R314 K320 F330	L312-Y316 PolarHBondContact O-N 3.43Å; A313-Y316 PolarHBondContact O-N 2.68Å; R314-Y316 VanDerWaalsContact C-N 3.3Å; R314-Y316 PolarHBondContact O-N 3.26Å; Y316-K320 HydrophobicContact CE2-CG 4.26Å; Y316-K320 WeakPolarHBondContact O-CG 3.49Å; Y316-K320 PolarHBondContact O-N 2.92Å; Y316-F330 HydrophobicContact CD2-CE2 4.07Å; Y316-F330 HydrophobicContact CG-CE2 4.4Å
317	I	90.2	Very high	83.9	Confident	100 Å²	100	77.2 Å²	77.2	51%	0.513	40%	0.402	S	S	.	.	H	α-helix	trans	-65.7	-45.4	176.1	-65.8	163.7	0	0	0	110.4	A313 R314 T315 E319 K320 V321	A313-I317 WeakPolarHBondContact O-CG1 3.45Å; A313-I317 PolarHBondContact O-N 2.78Å; R314-I317 PolarHBondContact O-N 2.82Å; T315-I317 PolarHBondContact O-N 3.47Å; I317-E319 PolarHBondContact O-N 3Å; I317-K320 PolarHBondContact O-N 3.05Å; I317-V321 HydrophobicContact CG2-CG2 4.01Å; I317-V321 WeakPolarHBondContact O-CB 3.35Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.36Å; I317-V321 PolarHBondContact O-N 3.06Å
318	Y	87.6	Confident	83.8	Confident	84 Å²	84	75.8 Å²	75.8	33%	0.329	40%	0.396	S	S	.	.	H	α-helix	trans	-59.8	-46.9	178.9	-93.7	-100.3	0	0	0	112.2	R314 T315 K320 V321 A322 S326	R314-Y318 HydrophobicContact CG-CD2 3.7Å; R314-Y318 HydrophobicContact CG-CE2 3.68Å; R314-Y318 PolarHBondContact NH2-OH 3.25Å; R314-Y318 WeakPolarHBondContact O-CD2 3.38Å; R314-Y318 PolarHBondContact O-N 2.76Å; T315-Y318 PolarHBondContact O-N 2.61Å; Y318-K320 PolarHBondContact O-N 3.11Å; Y318-V321 PolarHBondContact O-N 2.96Å; Y318-A322 PolarHBondContact O-N 2.94Å; Y318-S326 PolarHBondContact O-OG 3.2Å
319	E	86.7	Confident	83.9	Confident	65 Å²	65	74 Å²	74	30%	0.304	38%	0.383	S	S	.	.	H	α-helix	trans	-61.2	-31.1	178.6	-168.7	177.3	110.8	0	0	112.6	T315 I317 T329 F330	T315-E319 WeakPolarHBondContact O-CB 3.48Å; T315-E319 PolarHBondContact O-N 3.23Å; I317-E319 PolarHBondContact O-N 3Å; E319-T329 HydrophobicContact CG-CG2 4.4Å; E319-T329 WeakPolarHBondContact OE2-CA 3.42Å; E319-F330 WeakPolarHBondContact OE2-CD2 3.14Å; E319-F330 PolarHBondContact OE2-N 3.46Å
320	K	85.3	Confident	83.9	Confident	137 Å²	137	69.8 Å²	69.8	60%	0.596	35%	0.353	S	S	*	.	H	α-helix	trans	-82.5	-36.4	176.1	-69.8	-63.4	-176.4	-174.5	0	114.1	Y316 I317 Y318	Y316-K320 HydrophobicContact CE2-CG 4.26Å; Y316-K320 WeakPolarHBondContact O-CG 3.49Å; Y316-K320 PolarHBondContact O-N 2.92Å; I317-K320 PolarHBondContact O-N 3.05Å; Y318-K320 PolarHBondContact O-N 3.11Å
321	V	85.3	Confident	84	Confident	114 Å²	114	65 Å²	65	69%	0.691	33%	0.327	S	S	*	.	H	α-helix	trans	-84.1	-32.7	-175.7	173.3	0	0	0	0	112.3	I317 Y318 P323	I317-V321 HydrophobicContact CG2-CG2 4.01Å; I317-V321 WeakPolarHBondContact O-CB 3.35Å; I317-V321 VanDerWaalsContact O-CG2 3.3Å; I317-V321 WeakPolarHBondContact O-CG2 3.36Å; I317-V321 PolarHBondContact O-N 3.06Å; Y318-V321 PolarHBondContact O-N 2.96Å; V321-P323 VanDerWaalsContact O-CD 3.3Å; V321-P323 WeakPolarHBondContact O-CD 3.18Å
322	A	77.8	Confident	84	Confident	35 Å²	35	65.2 Å²	65.2	29%	0.289	33%	0.328	S	S	.	.			trans	-121.3	57.8	-173.3	0	0	0	0	0	113.3	Y318 V324 H325 S326	Y318-A322 PolarHBondContact O-N 2.94Å; A322-V324 PolarHBondContact O-N 3.49Å; A322-V324 VanDerWaalsContact O-N 3.07Å; A322-H325 PolarHBondContact O-N 2.93Å; A322-S326 PolarHBondContact O-N 3.36Å; A322-S326 VanDerWaalsContact O-N 3.11Å; A322-S326 PolarHBondContact O-OG 2.87Å
323	P	68.8	Low	84	Confident	78 Å²	78	63 Å²	63	51%	0.506	32%	0.316	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-23.3	-169.6	25.3	-35.7	0	0	0	114.8	V321	V321-P323 VanDerWaalsContact O-CD 3.3Å; V321-P323 WeakPolarHBondContact O-CD 3.18Å
324	V	66.9	Low	84	Confident	96 Å²	96	60.9 Å²	60.9	58%	0.582	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-30.9	-176.7	-167.1	0	0	0	0	112.9	A322	A322-V324 PolarHBondContact O-N 3.49Å; A322-V324 VanDerWaalsContact O-N 3.07Å
325	H	65.5	Low	84.1	Confident	150 Å²	150	58.8 Å²	58.8	69%	0.694	29%	0.29	S	S	*	.	S	Bend	trans	-141.9	47.4	-171.9	-64.4	112.4	0	0	0	111.6	A322 Y327	A322-H325 PolarHBondContact O-N 2.93Å; H325-Y327 PolarHBondContact O-N 3.2Å
326	S	64.7	Low	84.2	Confident	19 Å²	19	58.9 Å²	58.9	13%	0.133	29%	0.291	C	S	.	.			trans	-71.4	99.1	175	-77.9	0	0	0	0	110.6	Y318 A322 L328	Y318-S326 PolarHBondContact O-OG 3.2Å; A322-S326 PolarHBondContact O-N 3.36Å; A322-S326 VanDerWaalsContact O-N 3.11Å; A322-S326 PolarHBondContact O-OG 2.87Å; S326-L328 PolarHBondContact O-N 3.1Å
327	Y	79.5	Confident	84.3	Confident	153 Å²	153	54 Å²	54	60%	0.6	27%	0.271	S	S	*	.	S	Bend	trans	-54.8	-34.8	164.9	-81.7	-93.3	0	0	0	111.4	Y221 H325	Y221-Y327 WeakPolarHBondContact CE2-O 3.37Å; H325-Y327 PolarHBondContact O-N 3.2Å
328	L	87	Confident	84.4	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	25%	0.249	C	C	.	.	S	Bend	trans	-118.8	104.4	-174.9	-179.2	60.6	0	0	0	109.5	F311 T315 S326 L333	F311-L328 HydrophobicContact CE1-CD1 4.32Å; F311-L328 HydrophobicContact CE2-CD1 4.21Å; F311-L328 HydrophobicContact CE2-CD2 3.94Å; F311-L328 HydrophobicContact CZ-CD1 3.59Å; F311-L328 HydrophobicContact CZ-CD2 4.14Å; T315-L328 HydrophobicContact CG2-CD1 4.22Å; T315-L328 HydrophobicContact CG2-CG 3.99Å; S326-L328 PolarHBondContact O-N 3.1Å; L328-L333 HydrophobicContact CD1-CD2 3.84Å; L328-L333 HydrophobicContact CD1-CG 4.34Å
329	T	89.4	Confident	84.7	Confident	10 Å²	10	47.4 Å²	47.4	6%	0.061	25%	0.246	C	C	.	.			trans	-125.7	154.9	174.6	60.3	0	0	0	0	110	E319 E331 R332 L333	E319-T329 HydrophobicContact CG-CG2 4.4Å; E319-T329 WeakPolarHBondContact OE2-CA 3.42Å; T329-E331 VanDerWaalsContact C-N 3.26Å; T329-E331 PolarHBondContact O-N 3.06Å; T329-R332 PolarHBondContact O-N 2.98Å; T329-R332 VanDerWaalsContact OG1-CB 3.31Å; T329-R332 WeakPolarHBondContact OG1-CB 3.47Å; T329-R332 PolarHBondContact OG1-N 3.28Å; T329-R332 VanDerWaalsContact OG1-N 3.1Å; T329-L333 WeakPolarHBondContact O-CG 3.5Å; T329-L333 PolarHBondContact O-N 3.04Å
330	F	91.2	Very high	85.1	Confident	22 Å²	22	44.6 Å²	44.6	10%	0.096	23%	0.232	C	C	.	.	H	α-helix	trans	-61	-38	172.4	-75.7	-74.4	0	0	0	112	V179 R180 L312 T315 Y316 E319 R332 L333 E334	V179-F330 HydrophobicContact CG1-CD1 4.33Å; R180-F330 HydrophobicContact CB-CD1 4.07Å; R180-F330 HydrophobicContact CB-CE1 4.47Å; L312-F330 HydrophobicContact CB-CE1 4.49Å; L312-F330 HydrophobicContact CD2-CE1 4.18Å; L312-F330 WeakPolarHBondContact O-CZ 3.28Å; T315-F330 HydrophobicContact CG2-CD1 4.07Å; T315-F330 HydrophobicContact CG2-CD2 3.99Å; T315-F330 HydrophobicContact CG2-CE1 4.04Å; T315-F330 HydrophobicContact CG2-CE2 3.95Å; T315-F330 HydrophobicContact CG2-CG 4.04Å; T315-F330 HydrophobicContact CG2-CZ 3.98Å; Y316-F330 HydrophobicContact CD2-CE2 4.07Å; Y316-F330 HydrophobicContact CG-CE2 4.4Å; E319-F330 WeakPolarHBondContact OE2-CD2 3.14Å; E319-F330 PolarHBondContact OE2-N 3.46Å; F330-R332 PolarHBondContact O-N 2.86Å; F330-L333 HydrophobicContact CD1-CD1 4.41Å; F330-L333 WeakPolarHBondContact O-CB 3.37Å; F330-L333 PolarHBondContact O-N 3Å; F330-E334 WeakPolarHBondContact O-CG 3.44Å; F330-E334 PolarHBondContact O-N 2.68Å
331	E	91.1	Very high	85.4	Confident	31 Å²	31	43.8 Å²	43.8	15%	0.145	23%	0.234	C	C	.	.	H	α-helix	trans	-55.8	-41.1	176.4	-169.3	58.2	-136.5	0	0	111.7	I140 S183 R184 F185 T329 R335	I140-E331 HydrophobicContact CD1-CG 4.37Å; S183-E331 VanDerWaalsContact C-OE1 3.27Å; S183-E331 VanDerWaalsContact CA-OE1 3.22Å; S183-E331 WeakPolarHBondContact CA-OE1 3.41Å; S183-E331 VanDerWaalsContact CB-OE1 3.28Å; S183-E331 WeakPolarHBondContact CB-OE1 3.42Å; S183-E331 PolarHBondContact OG-OE1 3.48Å; R184-E331 VanDerWaalsContact N-CD 3.35Å; R184-E331 PolarHBondContact N-OE1 3.27Å; R184-E331 PolarHBondContact N-OE2 2.89Å; F185-E331 HydrophobicContact CB-CG 4.21Å; F185-E331 WeakPolarHBondContact CB-OE1 3.46Å; F185-E331 PolarHBondContact N-OE1 2.83Å; T329-E331 VanDerWaalsContact C-N 3.26Å; T329-E331 PolarHBondContact O-N 3.06Å; E331-R335 PolarHBondContact O-N 2.68Å
332	R	91.3	Very high	85.7	Confident	11 Å²	11	40.7 Å²	40.7	4%	0.042	21%	0.213	C	C	.	.	H	α-helix	trans	-68.4	-37.3	175.6	-174.7	64.2	-163.6	-126.9	-3.9	112.8	E132 R217 Y221 T329 F330 R335 E336	E132-R332 IonicContact OE2-CZ 3.37Å; E132-R332 IonicContact OE2-NH1 3.61Å; E132-R332 PolarHBondContact OE2-NH1 2.95Å; R217-R332 PolarHBondContact O-NH1 3.13Å; R217-R332 PolarHBondContact O-NH2 2.67Å; Y221-R332 HydrophobicContact CE1-CG 4.42Å; Y221-R332 HydrophobicContact CE2-CG 4.43Å; T329-R332 PolarHBondContact O-N 2.98Å; T329-R332 VanDerWaalsContact OG1-CB 3.31Å; T329-R332 WeakPolarHBondContact OG1-CB 3.47Å; T329-R332 PolarHBondContact OG1-N 3.28Å; T329-R332 VanDerWaalsContact OG1-N 3.1Å; F330-R332 PolarHBondContact O-N 2.86Å; R332-R335 PolarHBondContact O-N 2.8Å; R332-E336 WeakPolarHBondContact O-CG 3.46Å; R332-E336 PolarHBondContact O-N 3.22Å
333	L	92.5	Very high	86.2	Confident	0 Å²	0	42.9 Å²	42.9	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-67.8	-33.9	177.8	-61.1	-173.1	0	0	0	113	V179 M307 F311 L312 T315 L328 T329 F330 E336 S337	V179-L333 HydrophobicContact CG1-CD1 4.5Å; V179-L333 HydrophobicContact CG2-CB 4.14Å; M307-L333 HydrophobicContact CE-CD1 4.41Å; M307-L333 HydrophobicContact CE-CD2 3.91Å; F311-L333 HydrophobicContact CE1-CD1 3.86Å; F311-L333 HydrophobicContact CE1-CD2 4.01Å; F311-L333 HydrophobicContact CZ-CD2 4.23Å; L312-L333 HydrophobicContact CD2-CD1 4.2Å; T315-L333 HydrophobicContact CG2-CD1 3.83Å; T315-L333 HydrophobicContact CG2-CG 4.49Å; L328-L333 HydrophobicContact CD1-CD2 3.84Å; L328-L333 HydrophobicContact CD1-CG 4.34Å; T329-L333 WeakPolarHBondContact O-CG 3.5Å; T329-L333 PolarHBondContact O-N 3.04Å; F330-L333 HydrophobicContact CD1-CD1 4.41Å; F330-L333 WeakPolarHBondContact O-CB 3.37Å; F330-L333 PolarHBondContact O-N 3Å; L333-E336 VanDerWaalsContact CD2-OE1 3.29Å; L333-E336 WeakPolarHBondContact CD2-OE1 3.4Å; L333-E336 WeakPolarHBondContact O-CG 3.29Å; L333-S337 WeakPolarHBondContact O-CB 3.46Å; L333-S337 PolarHBondContact O-OG 2.89Å
334	E	92.6	Very high	87.3	Confident	4 Å²	4	42.6 Å²	42.6	2%	0.019	24%	0.237	C	C	.	.	H	α-helix	trans	-67.8	-44.3	171.8	-58.8	-67.5	170.9	0	0	110.4	Y178 V179 R180 K181 F330 S337 A338	Y178-E334 WeakPolarHBondContact CA-OE2 3.24Å; Y178-E334 VanDerWaalsContact CB-OE2 3.32Å; Y178-E334 WeakPolarHBondContact CB-OE2 3.37Å; Y178-E334 PolarHBondContact N-OE2 3.26Å; V179-E334 WeakPolarHBondContact CA-OE1 3.49Å; V179-E334 WeakPolarHBondContact CB-OE1 3.42Å; V179-E334 PolarHBondContact N-OE1 3.01Å; V179-E334 VanDerWaalsContact N-OE1 3.13Å; V179-E334 PolarHBondContact N-OE2 3.45Å; R180-E334 PolarHBondContact N-OE1 3.41Å; K181-E334 PolarHBondContact N-OE1 3.16Å; K181-E334 VanDerWaalsContact O-CG 3.28Å; K181-E334 WeakPolarHBondContact O-CG 3.42Å; F330-E334 WeakPolarHBondContact O-CG 3.44Å; F330-E334 PolarHBondContact O-N 2.68Å; E334-S337 PolarHBondContact O-N 3.33Å; E334-A338 PolarHBondContact O-N 2.88Å
335	R	91.8	Very high	88.5	Confident	20 Å²	20	42.5 Å²	42.5	8%	0.075	23%	0.227	C	C	.	.	H	α-helix	trans	-66.4	-41.3	-175.6	-157	-166.6	79	-138.2	-164.8	114.4	E132 M186 E210 K248 E331 R332 S337	E132-R335 IonicContact OE2-CZ 2.62Å; E132-R335 IonicContact OE2-NH1 2.74Å; E132-R335 IonicContact OE2-NH2 2.86Å; E132-R335 PolarHBondContact OE2-NH2 3.3Å; M186-R335 HydrophobicContact CE-CB 4.15Å; M186-R335 HydrophobicContact CE-CG 3.91Å; E210-R335 VanDerWaalsContact CD-NH1 3.27Å; E210-R335 IonicContact OE1-CZ 3.71Å; E210-R335 VanDerWaalsContact OE1-CZ 3.28Å; E210-R335 IonicContact OE1-NE 3.12Å; E210-R335 PolarHBondContact OE1-NE 3.03Å; E210-R335 IonicContact OE1-NH1 3.77Å; E210-R335 PolarHBondContact OE1-NH1 2.77Å; E210-R335 IonicContact OE2-CZ 2.64Å; E210-R335 IonicContact OE2-NE 3.41Å; E210-R335 IonicContact OE2-NH1 2.71Å; E210-R335 PolarHBondContact OE2-NH1 3.21Å; K248-R335 PolarHBondContact NZ-O 3.14Å; E331-R335 PolarHBondContact O-N 2.68Å; R332-R335 PolarHBondContact O-N 2.8Å; R335-S337 PolarHBondContact O-N 3Å
336	E	92.3	Very high	89.9	Confident	2 Å²	2	37.5 Å²	37.5	1%	0.009	21%	0.207	C	C	.	.	H	α-helix	trans	-66.6	-27.1	175.4	69.6	-177.4	-165.3	0	0	112.8	Y221 F222 R227 T246 K248 M307 R332 L333	Y221-E336 WeakPolarHBondContact CE1-OE2 3.48Å; F222-E336 HydrophobicContact CZ-CB 4.32Å; R227-E336 IonicContact CZ-OE1 2.68Å; R227-E336 IonicContact CZ-OE2 3.32Å; R227-E336 IonicContact NH1-OE1 3.92Å; R227-E336 PolarHBondContact NH1-OE1 3.1Å; R227-E336 IonicContact NH1-OE2 3.04Å; R227-E336 PolarHBondContact NH1-OE2 3.4Å; R227-E336 IonicContact NH2-OE1 2.8Å; R227-E336 PolarHBondContact NH2-OE1 2.83Å; R227-E336 IonicContact NH2-OE2 3.79Å; R227-E336 PolarHBondContact NH2-OE2 2.87Å; T246-E336 WeakPolarHBondContact CG2-O 3.37Å; K248-E336 WeakPolarHBondContact CE-O 3.42Å; M307-E336 WeakPolarHBondContact CE-OE1 3.36Å; R332-E336 WeakPolarHBondContact O-CG 3.46Å; R332-E336 PolarHBondContact O-N 3.22Å; L333-E336 VanDerWaalsContact CD2-OE1 3.29Å; L333-E336 WeakPolarHBondContact CD2-OE1 3.4Å; L333-E336 WeakPolarHBondContact O-CG 3.29Å
337	S	92.6	Very high	91.3	Very high	1 Å²	1	38.1 Å²	38.1	1%	0.007	21%	0.21	C	C	.	.	H	α-helix	trans	-79.8	-26	-175.3	-60.5	0	0	0	0	112.4	W240 T246 L333 E334 R335	W240-S337 WeakPolarHBondContact CB-OG 3.31Å; T246-S337 VanDerWaalsContact CG2-O 3.3Å; T246-S337 WeakPolarHBondContact CG2-O 3.48Å; T246-S337 PolarHBondContact OG1-O 2.98Å; L333-S337 WeakPolarHBondContact O-CB 3.46Å; L333-S337 PolarHBondContact O-OG 2.89Å; E334-S337 PolarHBondContact O-N 3.33Å; R335-S337 PolarHBondContact O-N 3Å
338	A	93.1	Very high	91.9	Very high	6 Å²	6	30.9 Å²	30.9	5%	0.05	18%	0.182	C	C	.	.	S	Bend	trans	-65.7	133.4	175.3	0	0	0	0	0	112	Y178 M186 K248 E334	Y178-A338 HydrophobicContact CE2-CB 3.77Å; Y178-A338 WeakPolarHBondContact OH-CA 3.47Å; M186-A338 HydrophobicContact CE-CB 3.56Å; K248-A338 WeakPolarHBondContact CE-O 3.3Å; K248-A338 PolarHBondContact NZ-O 2.98Å; E334-A338 PolarHBondContact O-N 2.88Å
339	T	94.1	Very high	92.1	Very high	41 Å²	41	35.2 Å²	35.2	25%	0.252	21%	0.205	S	C	.	.	P	Polyproline II helix	trans	-76	140.5	172.8	-71.5	0	0	0	0	110.8	N245 T246 V247 I341	N245-T339 PolarHBondContact O-OG1 2.71Å; N245-T339 VanDerWaalsContact O-OG1 3.14Å; T246-T339 WeakPolarHBondContact CA-OG1 3.5Å; V247-T339 HydrophobicContact CB-CG2 4.01Å; V247-T339 PolarHBondContact N-OG1 3.36Å; V247-T339 WeakPolarHBondContact O-CA 3.45Å; T339-I341 HydrophobicContact CG2-CG1 4.23Å; T339-I341 PolarHBondContact O-N 2.95Å
340	D	93.8	Very high	92.3	Very high	5 Å²	5	39.5 Å²	39.5	3%	0.027	23%	0.228	C	C	.	.	P	Polyproline II helix	trans	-77.1	117.5	173.4	-62.9	-10.2	0	0	0	109.5	L169 V247 K248 Q249 R281	L169-D340 HydrophobicContact CD2-CB 3.94Å; V247-D340 PolarHBondContact O-N 2.81Å; K248-D340 VanDerWaalsContact CA-OD2 3.3Å; K248-D340 WeakPolarHBondContact CA-OD2 3.27Å; K248-D340 VanDerWaalsContact CD-CG 3.43Å; K248-D340 VanDerWaalsContact CD-OD1 3.22Å; K248-D340 WeakPolarHBondContact CD-OD1 3.09Å; K248-D340 VanDerWaalsContact CD-OD2 3.22Å; K248-D340 WeakPolarHBondContact CD-OD2 3.3Å; K248-D340 IonicContact NZ-OD1 3.23Å; K248-D340 PolarHBondContact NZ-OD1 3.29Å; Q249-D340 HydrophobicContact CB-CB 4.42Å; Q249-D340 PolarHBondContact N-OD2 2.86Å; R281-D340 PolarHBondContact NH2-O 2.98Å
341	I	92.4	Very high	92.3	Very high	121 Å²	121	38.5 Å²	38.5	62%	0.621	22%	0.224	S	C	*	.			trans	-120.3	134.9	-178.3	-58.5	171.1	0	0	0	107.2	T339	T339-I341 HydrophobicContact CG2-CG1 4.23Å; T339-I341 PolarHBondContact O-N 2.95Å
342	L	91.5	Very high	92.3	Very high	49 Å²	49	43.8 Å²	43.8	26%	0.257	25%	0.253	S	S	.	.			trans	-88.5	140.2	172	-60.7	-179.3	0	0	0	109.4	L169 E275 V277	L169-L342 HydrophobicContact CD1-CD2 4.34Å; E275-L342 HydrophobicContact CB-CD2 4.34Å; E275-L342 WeakPolarHBondContact OE2-CA 3.41Å; V277-L342 HydrophobicContact CB-CD2 4.37Å; V277-L342 HydrophobicContact CG1-CD2 3.5Å; V277-L342 HydrophobicContact CG2-CD2 4.1Å
343	S	89.2	Confident	92.4	Very high	81 Å²	81	43.7 Å²	43.7	57%	0.566	25%	0.254	S	S	*	.			trans	-91.6	-7.1	174.4	-27.8	0	0	0	0	112.6	E275	E275-S343 VanDerWaalsContact CD-N 3.34Å; E275-S343 WeakPolarHBondContact OE1-CB 3.42Å; E275-S343 PolarHBondContact OE1-N 3.26Å; E275-S343 VanDerWaalsContact OE1-N 3.07Å; E275-S343 PolarHBondContact OE1-OG 2.87Å; E275-S343 PolarHBondContact OE2-N 3.03Å
344	G	90.8	Very high	92.4	Very high	71 Å²	71	52.9 Å²	52.9	73%	0.732	29%	0.293	S	S	*	.	S	Bend	trans	92.5	20.5	-178.7	0	0	0	0	0	114.4	E275	E275-G344 PolarHBondContact OE2-N 3.14Å
345	Y	93	Very high	92.5	Very high	94 Å²	94	54 Å²	54	37%	0.369	30%	0.3	S	S	.	.			trans	-78.3	161.4	171.2	-72.4	-79.1	0	0	0	111.6	I273 E275	I273-Y345 HydrophobicContact CB-CD1 3.85Å; I273-Y345 HydrophobicContact CB-CE1 4.04Å; I273-Y345 HydrophobicContact CB-CG 4.28Å; I273-Y345 HydrophobicContact CD1-CE1 4.09Å; I273-Y345 HydrophobicContact CG1-CE1 4.42Å; I273-Y345 HydrophobicContact CG2-CD1 4.37Å; I273-Y345 HydrophobicContact CG2-CG 4.33Å; I273-Y345 WeakPolarHBondContact O-CB 3.38Å; E275-Y345 HydrophobicContact CG-CD2 4.37Å
346	P	94.4	Very high	92.7	Very high	45 Å²	45	57.5 Å²	57.5	29%	0.292	31%	0.313	S	S	.	.			trans	-50.2	145.8	171	-28.6	36.3	0	0	0	113	Y274 E275 D350	Y274-P346 CarbonylContact C-O 3.52Å; Y274-P346 VanDerWaalsContact CA-O 3.29Å; Y274-P346 WeakPolarHBondContact CA-O 3.41Å; Y274-P346 HydrophobicContact CD1-CB 3.73Å; Y274-P346 HydrophobicContact CE1-CB 3.76Å; E275-P346 PolarHBondContact N-O 3.5Å; P346-D350 WeakPolarHBondContact CA-OD2 3.06Å; P346-D350 HydrophobicContact CB-CB 4.4Å
347	T	93.3	Very high	92.7	Very high	32 Å²	32	62.1 Å²	62.1	20%	0.196	33%	0.333	C	S	.	.	B	Isolated β-bridge	trans	-106	-173.9	-176.9	68.5	0	0	0	0	111.5	D349 D350	T347-D349 VanDerWaalsContact C-N 3.26Å; T347-D349 PolarHBondContact O-N 3.22Å; T347-D349 PolarHBondContact OG1-N 2.82Å; T347-D350 PolarHBondContact N-OD2 2.7Å; T347-D350 PolarHBondContact OG1-OD2 2.71Å
348	L	92.7	Very high	92.8	Very high	1 Å²	1	62.2 Å²	62.2	1%	0.005	33%	0.333	C	S	.	.	S	Bend	trans	-70.3	-21.6	172.8	-70.1	176.1	0	0	0	113.1	F206 V251 A276 D350 L351 V353 L355	F206-L348 HydrophobicContact CE1-CD2 4.22Å; V251-L348 HydrophobicContact CG2-CD1 3.71Å; A276-L348 HydrophobicContact CB-CD1 3.89Å; A276-L348 HydrophobicContact CB-CD2 4.05Å; A276-L348 HydrophobicContact CB-CG 3.86Å; L348-D350 VanDerWaalsContact C-N 3.32Å; L348-L351 HydrophobicContact CD2-CD1 4.41Å; L348-L351 PolarHBondContact O-N 2.84Å; L348-V353 HydrophobicContact CB-CB 4.3Å; L348-V353 WeakPolarHBondContact O-CB 3.42Å; L348-V353 PolarHBondContact O-N 3.31Å; L348-L355 HydrophobicContact CB-CD2 3.94Å; L348-L355 HydrophobicContact CD1-CD2 3.92Å
349	D	91.7	Very high	92.7	Very high	92 Å²	92	63.5 Å²	63.5	49%	0.492	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-38	177.9	-66	-51.3	0	0	0	110.7	T347 L351 N352 L355	T347-D349 VanDerWaalsContact C-N 3.26Å; T347-D349 PolarHBondContact O-N 3.22Å; T347-D349 PolarHBondContact OG1-N 2.82Å; D349-L351 PolarHBondContact O-N 3.07Å; D349-N352 PolarHBondContact O-N 2.83Å; D349-L355 WeakPolarHBondContact OD1-CD1 3.38Å
350	D	92.1	Very high	92.6	Very high	101 Å²	101	66.7 Å²	66.7	54%	0.54	35%	0.354	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.8	-22.3	175.1	-56.8	-58.2	0	0	0	112.9	P346 T347 L348 N352	P346-D350 WeakPolarHBondContact CA-OD2 3.06Å; P346-D350 HydrophobicContact CB-CB 4.4Å; T347-D350 PolarHBondContact N-OD2 2.7Å; T347-D350 PolarHBondContact OG1-OD2 2.71Å; L348-D350 VanDerWaalsContact C-N 3.32Å; D350-N352 VanDerWaalsContact C-N 3.27Å; D350-N352 PolarHBondContact O-N 3.28Å
351	L	92.1	Very high	92.5	Very high	1 Å²	1	69.4 Å²	69.4	1%	0.005	37%	0.366	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.3	16.1	173.9	-69.1	172.2	0	0	0	112.9	F206 N262 Y274 L348 D349 V353	F206-L351 HydrophobicContact CE1-CD1 3.69Å; F206-L351 HydrophobicContact CZ-CD1 3.84Å; N262-L351 PolarHBondContact ND2-O 2.89Å; Y274-L351 HydrophobicContact CD1-CD1 3.77Å; Y274-L351 HydrophobicContact CD1-CG 4.05Å; Y274-L351 HydrophobicContact CD2-CD1 4.24Å; Y274-L351 HydrophobicContact CE1-CD1 3.85Å; Y274-L351 HydrophobicContact CE1-CD2 3.87Å; Y274-L351 HydrophobicContact CE1-CG 3.69Å; Y274-L351 HydrophobicContact CE2-CD1 4.28Å; Y274-L351 HydrophobicContact CE2-CD2 4.37Å; Y274-L351 HydrophobicContact CG-CD1 3.99Å; L348-L351 HydrophobicContact CD2-CD1 4.41Å; L348-L351 PolarHBondContact O-N 2.84Å; D349-L351 PolarHBondContact O-N 3.07Å; L351-V353 HydrophobicContact CB-CG2 4.18Å; L351-V353 PolarHBondContact O-N 3.03Å
352	N	91.6	Very high	92.4	Very high	142 Å²	142	63.7 Å²	63.7	76%	0.759	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.7	30.8	-177.3	-65.5	-65.2	0	0	0	113.8	D349 D350	D349-N352 PolarHBondContact O-N 2.83Å; D350-N352 VanDerWaalsContact C-N 3.27Å; D350-N352 PolarHBondContact O-N 3.28Å
353	V	92.6	Very high	92.2	Very high	9 Å²	9	64.1 Å²	64.1	6%	0.055	34%	0.339	C	S	.	.			trans	-92.7	116.8	177.7	-175.3	0	0	0	0	110	D255 C258 L348 L351 L355	D255-V353 HydrophobicContact CB-CG1 3.82Å; C258-V353 HydrophobicContact CB-CG1 4.11Å; C258-V353 HydrophobicContact CB-CG2 4.26Å; L348-V353 HydrophobicContact CB-CB 4.3Å; L348-V353 WeakPolarHBondContact O-CB 3.42Å; L348-V353 PolarHBondContact O-N 3.31Å; L351-V353 HydrophobicContact CB-CG2 4.18Å; L351-V353 PolarHBondContact O-N 3.03Å; V353-L355 PolarHBondContact O-N 3.46Å
354	K	93.7	Very high	92.2	Very high	192 Å²	192	67.7 Å²	67.7	84%	0.835	35%	0.347	S	S	*	.			trans	-69.9	100.2	171.3	-175.8	180	179.4	178.8	0	110.4
355	L	94.3	Very high	92.2	Very high	28 Å²	28	64.7 Å²	64.7	15%	0.147	31%	0.314	C	S	.	.	P	Polyproline II helix	trans	-57.4	134.3	177.2	-68	-179.7	0	0	0	112.8	D255 P279 L348 D349 V353	D255-L355 HydrophobicContact CB-CD2 4.38Å; P279-L355 HydrophobicContact CB-CB 4.32Å; P279-L355 HydrophobicContact CB-CD1 4.38Å; P279-L355 HydrophobicContact CG-CB 4.38Å; L348-L355 HydrophobicContact CB-CD2 3.94Å; L348-L355 HydrophobicContact CD1-CD2 3.92Å; D349-L355 WeakPolarHBondContact OD1-CD1 3.38Å; V353-L355 PolarHBondContact O-N 3.46Å
356	R	94.6	Very high	91.9	Very high	94 Å²	94	60.3 Å²	60.3	36%	0.355	30%	0.297	S	S	.	.	P	Polyproline II helix	trans	-92.1	143.4	175.3	-62.2	175.8	-169.9	-155	-2.8	111.5	W212 H254 D255 P279	W212-R356 HydrophobicContact CH2-CB 4.43Å; H254-R356 PolarHBondContact CD2-NH2 3.38Å; D255-R356 WeakPolarHBondContact OD1-CD 3.49Å; D255-R356 WeakPolarHBondContact OD1-CG 3.43Å; D255-R356 IonicContact OD1-NE 2.75Å; D255-R356 PolarHBondContact OD1-NE 3.28Å; D255-R356 WeakPolarHBondContact OD2-CB 3.18Å; D255-R356 WeakPolarHBondContact OD2-CG 3.45Å; D255-R356 PolarHBondContact OD2-N 2.99Å; P279-R356 WeakPolarHBondContact CD-O 3.26Å; P279-R356 WeakPolarHBondContact CG-O 3.49Å
357	K	93.5	Very high	91.5	Very high	98 Å²	98	62.8 Å²	62.8	43%	0.426	30%	0.303	S	S	.	.	P	Polyproline II helix	trans	-76.4	149.7	172.8	-68	-174.5	177.9	-171.3	0	110.7	W212 P279 H280 E359	W212-K357 WeakPolarHBondContact CH2-O 3.44Å; P279-K357 HydrophobicContact CG-CG 4.35Å; H280-K357 WeakPolarHBondContact NE2-CE 3.48Å; K357-E359 WeakPolarHBondContact CB-OE2 3.25Å
358	L	93.5	Very high	91.1	Very high	3 Å²	3	66 Å²	66	2%	0.016	32%	0.319	C	S	.	.	S	Bend	trans	-78.2	-35.7	178.1	174.1	58.5	0	0	0	110.2	W212 L219 P250 Y282 W290 D360 H361 I362	W212-L358 HydrophobicContact CD2-CD1 3.68Å; W212-L358 HydrophobicContact CE3-CD1 3.88Å; W212-L358 HydrophobicContact CG-CD1 4.06Å; W212-L358 HydrophobicContact CZ2-CB 4.26Å; W212-L358 HydrophobicContact CZ2-CD1 4.35Å; W212-L358 HydrophobicContact CZ3-CD1 4.32Å; L219-L358 HydrophobicContact CD1-CD1 3.75Å; L219-L358 HydrophobicContact CD2-CD2 4.49Å; P250-L358 HydrophobicContact CG-CD2 4.11Å; Y282-L358 HydrophobicContact CD2-CD2 4.32Å; Y282-L358 HydrophobicContact CE2-CB 4.24Å; Y282-L358 HydrophobicContact CE2-CD2 3.73Å; W290-L358 HydrophobicContact CH2-CG 4.18Å; W290-L358 HydrophobicContact CZ3-CD2 3.9Å; W290-L358 HydrophobicContact CZ3-CG 3.97Å; L358-D360 VanDerWaalsContact C-N 3.3Å; L358-D360 PolarHBondContact O-N 3.11Å; L358-H361 PolarHBondContact O-N 2.68Å; L358-H361 VanDerWaalsContact O-N 3.11Å; L358-I362 HydrophobicContact CD1-CB 3.98Å; L358-I362 HydrophobicContact CD1-CD1 4.33Å; L358-I362 HydrophobicContact CD1-CG1 4.36Å; L358-I362 HydrophobicContact CG-CB 4.31Å; L358-I362 HydrophobicContact CG-CD1 4.33Å; L358-I362 WeakPolarHBondContact O-CB 3.47Å; L358-I362 WeakPolarHBondContact O-CG2 3.3Å; L358-I362 PolarHBondContact O-N 3.48Å
359	E	92.4	Very high	90.9	Very high	34 Å²	34	68.5 Å²	68.5	16%	0.159	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-50.3	-46.5	177.3	-62.9	85.9	161.7	0	0	112.4	H280 Y282 W290 K357 H361 P387	H280-E359 IonicContact CD2-OE1 3.85Å; H280-E359 PolarHBondContact CD2-OE1 2.9Å; H280-E359 IonicContact CD2-OE2 3.33Å; Y282-E359 PolarHBondContact OH-OE1 3.28Å; Y282-E359 PolarHBondContact OH-OE2 3.07Å; W290-E359 HydrophobicContact CH2-CB 4.3Å; W290-E359 HydrophobicContact CH2-CG 3.89Å; W290-E359 HydrophobicContact CZ2-CB 4.38Å; W290-E359 HydrophobicContact CZ2-CG 4.09Å; K357-E359 WeakPolarHBondContact CB-OE2 3.25Å; E359-H361 PolarHBondContact O-N 3.28Å; E359-P387 HydrophobicContact CG-CB 3.75Å
360	D	91.6	Very high	90.6	Very high	107 Å²	107	65.1 Å²	65.1	57%	0.572	31%	0.31	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.5	-19.7	-176.1	-56.6	-18.3	0	0	0	112.9	L358	L358-D360 VanDerWaalsContact C-N 3.3Å; L358-D360 PolarHBondContact O-N 3.11Å
361	H	91.8	Very high	90	Very high	63 Å²	63	64.8 Å²	64.8	29%	0.292	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-123.2	-21.9	-167.6	-70.8	-54.1	0	0	0	115.1	W212 L358 E359 N363 H364	W212-H361 HydrophobicContact CH2-CB 3.89Å; W212-H361 AromaticContact CH2-CD2 3.84Å; W212-H361 HydrophobicContact CZ3-CB 3.61Å; L358-H361 PolarHBondContact O-N 2.68Å; L358-H361 VanDerWaalsContact O-N 3.11Å; E359-H361 PolarHBondContact O-N 3.28Å; H361-N363 PolarHBondContact O-N 3.13Å; H361-H364 PolarHBondContact O-N 2.92Å
362	I	90.6	Very high	89.4	Confident	0 Å²	0	69.1 Å²	69.1	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-58.1	-34.5	-174.7	-170.1	166.1	0	0	0	113.3	L219 W290 I291 L294 L358 H364 I365 V366	L219-I362 HydrophobicContact CD1-CG1 4.33Å; L219-I362 HydrophobicContact CD2-CD1 4.29Å; W290-I362 HydrophobicContact CD2-CD1 4.19Å; W290-I362 HydrophobicContact CE3-CD1 3.58Å; W290-I362 HydrophobicContact CH2-CB 4.35Å; W290-I362 HydrophobicContact CH2-CD1 3.98Å; W290-I362 HydrophobicContact CH2-CG2 3.67Å; W290-I362 HydrophobicContact CZ2-CG2 3.67Å; W290-I362 HydrophobicContact CZ3-CD1 3.46Å; W290-I362 VanDerWaalsContact CZ3-CD1 3.46Å; W290-I362 HydrophobicContact CZ3-CG2 4.3Å; I291-I362 HydrophobicContact CG1-CD1 4.07Å; L294-I362 HydrophobicContact CD1-CB 4.24Å; L294-I362 HydrophobicContact CD1-CD1 3.67Å; L294-I362 HydrophobicContact CD1-CG1 3.71Å; L294-I362 HydrophobicContact CD1-CG2 3.55Å; L358-I362 HydrophobicContact CD1-CB 3.98Å; L358-I362 HydrophobicContact CD1-CD1 4.33Å; L358-I362 HydrophobicContact CD1-CG1 4.36Å; L358-I362 HydrophobicContact CG-CB 4.31Å; L358-I362 HydrophobicContact CG-CD1 4.33Å; L358-I362 WeakPolarHBondContact O-CB 3.47Å; L358-I362 WeakPolarHBondContact O-CG2 3.3Å; L358-I362 PolarHBondContact O-N 3.48Å; I362-H364 VanDerWaalsContact C-N 3.32Å; I362-H364 PolarHBondContact O-N 2.88Å; I362-I365 PolarHBondContact O-N 3.4Å; I362-I365 VanDerWaalsContact O-N 3.12Å; I362-V366 HydrophobicContact CD1-CG2 4.41Å; I362-V366 HydrophobicContact CG1-CG2 3.7Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 3.29Å
363	N	87.8	Confident	88.5	Confident	59 Å²	59	68.5 Å²	68.5	32%	0.316	32%	0.318	S	S	.	.	H	α-helix	trans	-53.4	-46.4	177.6	-89.9	-50.9	0	0	0	112.4	L294 H361 I365 F367	L294-N363 WeakPolarHBondContact CD2-OD1 3.39Å; H361-N363 PolarHBondContact O-N 3.13Å; N363-I365 VanDerWaalsContact C-N 3.33Å; N363-I365 PolarHBondContact O-N 3.44Å; N363-F367 WeakPolarHBondContact O-CB 3.42Å; N363-F367 PolarHBondContact O-N 3Å; N363-F367 VanDerWaalsContact O-N 3.13Å
364	H	87.8	Confident	87.6	Confident	156 Å²	156	77.7 Å²	77.7	72%	0.722	36%	0.358	S	S	*	.	H	α-helix	trans	-71.9	-27	-178.7	-63.7	-69.1	0	0	0	113.2	H361 I362	H361-H364 PolarHBondContact O-N 2.92Å; I362-H364 VanDerWaalsContact C-N 3.32Å; I362-H364 PolarHBondContact O-N 2.88Å
365	I	90.6	Very high	86.5	Confident	8 Å²	8	69.4 Å²	69.4	4%	0.041	32%	0.321	C	S	.	.	H	α-helix	trans	-79.3	-47.6	-179.9	-58.5	167.7	0	0	0	110.2	W212 G213 L219 I362 N363 F367	W212-I365 HydrophobicContact CE3-CD1 3.63Å; W212-I365 HydrophobicContact CZ3-CD1 4.04Å; G213-I365 VanDerWaalsContact O-CG2 3.27Å; G213-I365 WeakPolarHBondContact O-CG2 3.36Å; L219-I365 HydrophobicContact CB-CG2 4.39Å; L219-I365 HydrophobicContact CD1-CD1 3.95Å; L219-I365 HydrophobicContact CD1-CG2 4.19Å; I362-I365 PolarHBondContact O-N 3.4Å; I362-I365 VanDerWaalsContact O-N 3.12Å; N363-I365 VanDerWaalsContact C-N 3.33Å; N363-I365 PolarHBondContact O-N 3.44Å; I365-F367 VanDerWaalsContact C-N 3.35Å
366	V	88.1	Confident	85.6	Confident	2 Å²	2	77.2 Å²	77.2	1%	0.012	35%	0.349	C	S	.	.	H	α-helix	trans	-82	-14.2	-172.9	179.3	0	0	0	0	112.3	I291 L294 C295 I362 L368 H369	I291-V366 HydrophobicContact CG2-CG1 4.22Å; I291-V366 HydrophobicContact CG2-CG2 4.42Å; L294-V366 HydrophobicContact CB-CG1 4.26Å; C295-V366 WeakPolarHBondContact SG-CG1 3.41Å; I362-V366 HydrophobicContact CD1-CG2 4.41Å; I362-V366 HydrophobicContact CG1-CG2 3.7Å; I362-V366 WeakPolarHBondContact O-CG2 3.36Å; I362-V366 PolarHBondContact O-N 3.29Å; V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 3.32Å; V366-L368 VanDerWaalsContact O-N 3.11Å; V366-H369 PolarHBondContact O-N 3.14Å
367	F	85.4	Confident	84.8	Confident	96 Å²	96	76.1 Å²	76.1	42%	0.421	35%	0.35	S	S	.	.	G	3₁₀ helix	trans	-43.1	-46.1	176.8	176.5	-98.9	0	0	0	114.1	N363 I365 H369 R370	N363-F367 WeakPolarHBondContact O-CB 3.42Å; N363-F367 PolarHBondContact O-N 3Å; N363-F367 VanDerWaalsContact O-N 3.13Å; I365-F367 VanDerWaalsContact C-N 3.35Å; F367-H369 PolarHBondContact O-N 2.77Å; F367-H369 VanDerWaalsContact O-N 3.1Å; F367-R370 WeakPolarHBondContact O-CB 3.34Å; F367-R370 WeakPolarHBondContact O-CG 3.37Å; F367-R370 PolarHBondContact O-N 2.9Å
368	L	85.7	Confident	84.1	Confident	100 Å²	100	75.9 Å²	75.9	52%	0.524	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-64.9	-13.5	-179.1	-64.9	175.5	0	0	0	114.5	V366	V366-L368 VanDerWaalsContact C-N 3.26Å; V366-L368 PolarHBondContact O-N 3.32Å; V366-L368 VanDerWaalsContact O-N 3.11Å
369	H	86.9	Confident	83.6	Confident	53 Å²	53	81 Å²	81	25%	0.245	39%	0.393	C	S	.	.	G	3₁₀ helix	trans	-108.1	3.8	-178.8	-61.8	-56	0	0	0	113.8	C220 A223 V366 F367	C220-H369 PolarHBondContact SG-NE2 3.08Å; C220-H369 VanDerWaalsContact SG-NE2 3.36Å; A223-H369 HydrophobicContact CB-CB 3.73Å; A223-H369 VanDerWaalsContact CB-CD2 3.45Å; A223-H369 WeakPolarHBondContact CB-CD2 3.44Å; V366-H369 PolarHBondContact O-N 3.14Å; F367-H369 PolarHBondContact O-N 2.77Å; F367-H369 VanDerWaalsContact O-N 3.1Å
370	R	86.4	Confident	83	Confident	21 Å²	21	82 Å²	82	8%	0.079	41%	0.413	C	S	.	.			trans	-55.4	144.1	174.4	-74.7	175.5	170.1	-171.5	-3.9	111.8	C295 R296 F367 Q372 D377	C295-R370 CarbonylContact O-C 3.52Å; C295-R370 WeakPolarHBondContact O-CA 3.49Å; R296-R370 HydrophobicContact CG-CG 4.41Å; F367-R370 WeakPolarHBondContact O-CB 3.34Å; F367-R370 WeakPolarHBondContact O-CG 3.37Å; F367-R370 PolarHBondContact O-N 2.9Å; R370-Q372 PolarHBondContact O-N 3.04Å; R370-D377 IonicContact CZ-OD1 3.42Å; R370-D377 IonicContact CZ-OD2 2.64Å; R370-D377 VanDerWaalsContact NH1-CG 3.28Å; R370-D377 IonicContact NH1-OD1 3.84Å; R370-D377 PolarHBondContact NH1-OD1 3.5Å; R370-D377 VanDerWaalsContact NH1-OD1 3.07Å; R370-D377 IonicContact NH1-OD2 3.11Å; R370-D377 PolarHBondContact NH1-OD2 2.96Å; R370-D377 IonicContact NH2-OD1 2.72Å; R370-D377 PolarHBondContact NH2-OD1 3.01Å; R370-D377 IonicContact NH2-OD2 2.9Å; R370-D377 PolarHBondContact NH2-OD2 3.05Å
371	R	80.2	Confident	82.2	Confident	95 Å²	95	82.4 Å²	82.4	36%	0.358	41%	0.411	S	S	.	.	S	Bend	trans	-58.1	-36	-177.2	-172.3	173.4	76.1	169.9	8.7	113	C295 Y297 E301	C295-R371 PolarHBondContact O-N 2.52Å; Y297-R371 HydrophobicContact CE1-CG 4.24Å; Y297-R371 HydrophobicContact CE2-CB 4.1Å; E301-R371 IonicContact OE1-CZ 2.7Å; E301-R371 IonicContact OE1-NH1 2.84Å; E301-R371 PolarHBondContact OE1-NH1 3.35Å; E301-R371 IonicContact OE2-CZ 3.98Å; E301-R371 IonicContact OE2-NH1 2.97Å; E301-R371 PolarHBondContact OE2-NH1 3.16Å
372	Q	78.4	Confident	81.5	Confident	92 Å²	92	80.5 Å²	80.5	43%	0.43	40%	0.402	S	S	.	.			trans	-120.4	121.2	175.6	-69.9	173.1	-10.7	0	0	108.9	R370 F374 Y375	R370-Q372 PolarHBondContact O-N 3.04Å; Q372-F374 VanDerWaalsContact C-N 3.29Å; Q372-F374 PolarHBondContact O-N 2.86Å; Q372-Y375 PolarHBondContact O-N 3.38Å
373	L	71.9	Confident	80.8	Confident	128 Å²	128	85.8 Å²	85.8	67%	0.67	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-26.7	179.3	-69.6	166.6	0	0	0	112.9
374	F	73.7	Confident	80.4	Confident	203 Å²	203	90.5 Å²	90.5	89%	0.89	46%	0.456	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.5	14.7	-179.4	-53.5	-73	0	0	0	113.1	Q372 W376	Q372-F374 VanDerWaalsContact C-N 3.29Å; Q372-F374 PolarHBondContact O-N 2.86Å; F374-W376 PolarHBondContact O-N 3.27Å
375	Y	72.2	Confident	80.2	Confident	18 Å²	18	84 Å²	84	7%	0.071	43%	0.428	C	S	.	.			trans	-65.2	124.3	179.7	-179.8	-108.5	0	0	0	110.9	R296 Q372 D377 E381 F382	R296-Y375 HydrophobicContact CG-CD1 4.3Å; R296-Y375 HydrophobicContact CG-CE1 4.44Å; Q372-Y375 PolarHBondContact O-N 3.38Å; Y375-D377 HydrophobicContact CE1-CB 4.3Å; Y375-D377 VanDerWaalsContact CE1-OD1 3.24Å; Y375-D377 WeakPolarHBondContact CE1-OD1 3.38Å; Y375-E381 HydrophobicContact CE2-CB 3.95Å; Y375-E381 HydrophobicContact CE2-CG 4.06Å; Y375-E381 WeakPolarHBondContact CE2-OE2 3.33Å; Y375-E381 PolarHBondContact OH-N 3.22Å; Y375-F382 HydrophobicContact CD2-CD2 4.25Å; Y375-F382 HydrophobicContact CD2-CE2 4.24Å; Y375-F382 HydrophobicContact CE1-CD2 4.49Å; Y375-F382 AromaticContact CE2-CD2 3.6Å; Y375-F382 HydrophobicContact CE2-CD2 3.6Å; Y375-F382 AromaticContact CE2-CE2 3.94Å; Y375-F382 HydrophobicContact CE2-CE2 3.94Å; Y375-F382 AromaticContact CZ-CD2 3.74Å; Y375-F382 PolarHBondContact OH-N 3.37Å
376	W	73.7	Confident	80	Confident	192 Å²	192	88.7 Å²	88.7	73%	0.727	46%	0.459	S	S	*	.			trans	-98.3	106.1	178.3	-147.7	-13.9	0	0	0	108.6	F374 A378 L379	F374-W376 PolarHBondContact O-N 3.27Å; W376-A378 PolarHBondContact O-N 3.33Å; W376-L379 HydrophobicContact CB-CD1 4.05Å; W376-L379 HydrophobicContact CB-CG 4.22Å; W376-L379 WeakPolarHBondContact O-CB 3.37Å; W376-L379 PolarHBondContact O-N 2.98Å
377	D	78	Confident	79.9	Confident	71 Å²	71	92.3 Å²	92.3	38%	0.38	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-55.1	-27.9	-175.7	-70.9	-65.9	0	0	0	113	R296 R370 Y375 L379 G380	R296-D377 IonicContact CZ-OD1 3.93Å; R296-D377 IonicContact NE-OD1 3.99Å; R296-D377 IonicContact NH2-OD1 2.77Å; R296-D377 PolarHBondContact NH2-OD1 3.33Å; R370-D377 IonicContact CZ-OD1 3.42Å; R370-D377 IonicContact CZ-OD2 2.64Å; R370-D377 VanDerWaalsContact NH1-CG 3.28Å; R370-D377 IonicContact NH1-OD1 3.84Å; R370-D377 PolarHBondContact NH1-OD1 3.5Å; R370-D377 VanDerWaalsContact NH1-OD1 3.07Å; R370-D377 IonicContact NH1-OD2 3.11Å; R370-D377 PolarHBondContact NH1-OD2 2.96Å; R370-D377 IonicContact NH2-OD1 2.72Å; R370-D377 PolarHBondContact NH2-OD1 3.01Å; R370-D377 IonicContact NH2-OD2 2.9Å; R370-D377 PolarHBondContact NH2-OD2 3.05Å; Y375-D377 HydrophobicContact CE1-CB 4.3Å; Y375-D377 VanDerWaalsContact CE1-OD1 3.24Å; Y375-D377 WeakPolarHBondContact CE1-OD1 3.38Å; D377-L379 PolarHBondContact O-N 3.38Å; D377-G380 PolarHBondContact O-N 3.26Å
378	A	80.3	Confident	80	Confident	92 Å²	92	88.2 Å²	88.2	76%	0.76	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-63.3	-18.1	176.6	0	0	0	0	0	115.2	W376 G380	W376-A378 PolarHBondContact O-N 3.33Å; A378-G380 VanDerWaalsContact C-N 3.32Å
379	L	81.4	Confident	80	Confident	112 Å²	112	87 Å²	87	59%	0.586	46%	0.463	S	S	*	.	G	3₁₀ helix	trans	-77.3	-17	176.4	-68.1	171.5	0	0	0	113	W376 D377 E381	W376-L379 HydrophobicContact CB-CD1 4.05Å; W376-L379 HydrophobicContact CB-CG 4.22Å; W376-L379 WeakPolarHBondContact O-CB 3.37Å; W376-L379 PolarHBondContact O-N 2.98Å; D377-L379 PolarHBondContact O-N 3.38Å; L379-E381 HydrophobicContact CB-CG 3.97Å; L379-E381 PolarHBondContact O-N 2.86Å; L379-E381 VanDerWaalsContact O-N 3.16Å
380	G	80.2	Confident	80	Confident	55 Å²	55	87.4 Å²	87.4	57%	0.567	47%	0.467	S	S	*	.			trans	66.2	12.9	175.3	0	0	0	0	0	116.1	D377 A378 F382	D377-G380 PolarHBondContact O-N 3.26Å; A378-G380 VanDerWaalsContact C-N 3.32Å; G380-F382 PolarHBondContact O-N 2.91Å; G380-F382 VanDerWaalsContact O-N 3.09Å
381	E	76.1	Confident	79.9	Confident	115 Å²	115	89.4 Å²	89.4	54%	0.537	48%	0.477	S	S	.	.			trans	-58.9	-26.2	-174.8	-51.7	-178.8	157.5	0	0	113.7	Y375 L379	Y375-E381 HydrophobicContact CE2-CB 3.95Å; Y375-E381 HydrophobicContact CE2-CG 4.06Å; Y375-E381 WeakPolarHBondContact CE2-OE2 3.33Å; Y375-E381 PolarHBondContact OH-N 3.22Å; L379-E381 HydrophobicContact CB-CG 3.97Å; L379-E381 PolarHBondContact O-N 2.86Å; L379-E381 VanDerWaalsContact O-N 3.16Å
382	F	76	Confident	79.5	Confident	23 Å²	23	93.5 Å²	93.5	10%	0.101	50%	0.498	C	S	.	.	S	Bend	trans	-120.7	125.1	177.1	-63.3	-90.6	0	0	0	110.2	R296 L298 Y375 G380	R296-F382 HydrophobicContact CB-CD1 4.12Å; R296-F382 HydrophobicContact CB-CD2 4.05Å; R296-F382 HydrophobicContact CB-CE1 4.2Å; R296-F382 HydrophobicContact CB-CE2 4.15Å; R296-F382 HydrophobicContact CB-CG 4.05Å; R296-F382 HydrophobicContact CB-CZ 4.22Å; R296-F382 HydrophobicContact CG-CD2 4.22Å; R296-F382 HydrophobicContact CG-CG 4.32Å; R296-F382 PolarHBondContact NH1-O 2.91Å; L298-F382 HydrophobicContact CD2-CD1 4.09Å; L298-F382 HydrophobicContact CD2-CE1 3.88Å; L298-F382 HydrophobicContact CG-CE1 4.36Å; Y375-F382 HydrophobicContact CD2-CD2 4.25Å; Y375-F382 HydrophobicContact CD2-CE2 4.24Å; Y375-F382 HydrophobicContact CE1-CD2 4.49Å; Y375-F382 AromaticContact CE2-CD2 3.6Å; Y375-F382 HydrophobicContact CE2-CD2 3.6Å; Y375-F382 AromaticContact CE2-CE2 3.94Å; Y375-F382 HydrophobicContact CE2-CE2 3.94Å; Y375-F382 AromaticContact CZ-CD2 3.74Å; Y375-F382 PolarHBondContact OH-N 3.37Å; G380-F382 PolarHBondContact O-N 2.91Å; G380-F382 VanDerWaalsContact O-N 3.09Å
383	P	76.7	Confident	78.7	Confident	110 Å²	110	97.7 Å²	97.7	71%	0.714	52%	0.517	S	S	*	.	P	Polyproline II helix	trans	-60.2	150.5	173.1	27.5	-34.6	0	0	0	110.4	R296	R296-P383 PolarHBondContact NH1-O 3.19Å
384	E	79.7	Confident	79.1	Confident	158 Å²	158	96.2 Å²	96.2	74%	0.738	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-69	123.9	170.2	-62	-163.3	150.8	0	0	109.1
385	P	82.7	Confident	79.4	Confident	21 Å²	21	90.6 Å²	90.6	14%	0.136	49%	0.49	C	S	.	.	P	Polyproline II helix	trans	-72.1	135	-178.4	29.2	-33.7	0	0	0	109.9	F293 L294	F293-P385 HydrophobicContact CB-CB 3.53Å; F293-P385 HydrophobicContact CB-CG 3.77Å; F293-P385 HydrophobicContact CD2-CB 4.08Å; F293-P385 HydrophobicContact CG-CB 4.28Å; L294-P385 HydrophobicContact CD2-CG 3.55Å; L294-P385 HydrophobicContact CG-CG 3.89Å
386	P	85.6	Confident	79.8	Confident	105 Å²	105	94.6 Å²	94.6	68%	0.682	51%	0.513	S	S	*	.	P	Polyproline II helix	trans	-59.9	148.9	175.3	27	-34.7	0	0	0	110.2
387	P	87.4	Confident	80.1	Confident	79 Å²	79	88.9 Å²	88.9	51%	0.513	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-61	149.6	174.2	27.6	-34.7	0	0	0	110.6	W290 E359	W290-P387 HydrophobicContact CZ2-CB 4.34Å; E359-P387 HydrophobicContact CG-CB 3.75Å
388	P	86.9	Confident	80.3	Confident	10 Å²	10	90 Å²	90	7%	0.065	51%	0.508	C	S	.	.	P	Polyproline II helix	trans	-64.1	151.8	-179.4	27.4	-36	0	0	0	111.4	Y282 D286 W290 I390	Y282-P388 HydrophobicContact CD1-CB 4.37Å; Y282-P388 HydrophobicContact CD1-CG 3.56Å; Y282-P388 HydrophobicContact CE1-CG 3.88Å; Y282-P388 HydrophobicContact CG-CG 4.38Å; D286-P388 HydrophobicContact CB-CB 3.96Å; W290-P388 VanDerWaalsContact CD2-CD 3.4Å; W290-P388 HydrophobicContact CD2-CG 4.1Å; W290-P388 HydrophobicContact CE3-CG 3.79Å; W290-P388 HydrophobicContact CG-CG 4.49Å; W290-P388 HydrophobicContact CZ3-CG 4.11Å; P388-I390 PolarHBondContact O-N 3.22Å; P388-I390 VanDerWaalsContact O-N 3.16Å
389	P	86.9	Confident	80.3	Confident	74 Å²	74	89.9 Å²	89.9	48%	0.481	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-63.5	118.3	178.9	26.6	-34.4	0	0	0	110.9	D286 Q391	D286-P389 WeakPolarHBondContact OD2-CG 3.3Å; P389-Q391 PolarHBondContact O-N 3.35Å
390	I	86.8	Confident	80.2	Confident	62 Å²	62	88.3 Å²	88.3	32%	0.318	48%	0.484	S	S	.	.	B	Isolated β-bridge	trans	-65.3	130	177.9	-57.2	169.9	0	0	0	108.9	H280 P388	H280-I390 HydrophobicContact CB-CG1 4.44Å; H280-I390 HydrophobicContact CB-CG2 4.26Å; P388-I390 PolarHBondContact O-N 3.22Å; P388-I390 VanDerWaalsContact O-N 3.16Å
391	Q	82.7	Confident	80.2	Confident	63 Å²	63	90.8 Å²	90.8	29%	0.294	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-87.1	117.9	171.6	-58.7	-62	-64.1	0	0	108.9	R281 R283 P389	R281-Q391 HydrophobicContact CB-CB 4.22Å; R281-Q391 WeakPolarHBondContact CB-O 3.41Å; R281-Q391 PolarHBondContact O-N 2.9Å; R283-Q391 HydrophobicContact CB-CG 4.45Å; P389-Q391 PolarHBondContact O-N 3.35Å
392	F	72.3	Confident	80.5	Confident	180 Å²	180	88.8 Å²	88.8	79%	0.789	47%	0.473	S	S	*	.	P	Polyproline II helix	trans	-73.5	156.4	166	-62.4	-78.2	0	0	0	109.8
393	Q	62.6	Low	80.9	Confident	181 Å²	181	94.8 Å²	94.8	85%	0.846	51%	0.507	S	S	*	.			trans	-77.4	0	174.7	-91	-179.7	-6.7	0	0	111.4	R281	R281-Q393 VanDerWaalsContact NH1-CG 3.33Å

Retrieved 393 of 393 residues in 681.5 ms (Link to these results)

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