A0A077ZFL2_TRITR Loading...

Trypsin and PAN 1 domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZFL2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 658 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	38.3	Very low	32.6	Very low	250 Å²	250	150.3 Å²	150.3	100%	1.232	82%	0.82	S	S	*	*				0	124.8	0	-69.4	173.5	-96.1	0	0	106
2	G	36.9	Very low	32.8	Very low	80 Å²	80	142.3 Å²	142.3	83%	0.825	80%	0.799	S	S	*	*			trans	-83.2	148.2	-165.4	0	0	0	0	0	113.8	L4	G2-L4 PolarHBondContact O-N 2.59Å
3	E	26.9	Very low	33	Very low	180 Å²	180	136.4 Å²	136.4	84%	0.841	77%	0.768	S	S	*	*			trans	-69.3	113	165.8	-64	-176.6	120.4	0	0	109.5	K5	E3-K5 PolarHBondContact O-N 3.28Å
4	L	29.1	Very low	33	Very low	151 Å²	151	138.4 Å²	138.4	79%	0.791	77%	0.768	S	S	*	*			trans	-91.8	92.3	171.9	-157.7	80.1	0	0	0	109.5	G2 L6	G2-L4 PolarHBondContact O-N 2.59Å; L4-L6 HydrophobicContact CD2-CD1 4.14Å; L4-L6 HydrophobicContact CD2-CD2 4.45Å; L4-L6 HydrophobicContact CD2-CG 4.24Å; L4-L6 HydrophobicContact CG-CG 4.44Å; L4-L6 PolarHBondContact O-N 3Å
5	K	26.3	Very low	33.4	Very low	183 Å²	183	135.9 Å²	135.9	80%	0.796	75%	0.751	S	S	*	*			trans	-75.6	119.8	167.5	-75.4	179.7	177.1	172.4	0	109.3	E3	E3-K5 PolarHBondContact O-N 3.28Å
6	L	32.1	Very low	33.5	Very low	143 Å²	143	135.3 Å²	135.3	75%	0.749	75%	0.746	S	S	*	*			trans	-108.6	153.4	169.1	-68.5	171.8	0	0	0	109.7	L4	L4-L6 HydrophobicContact CD2-CD1 4.14Å; L4-L6 HydrophobicContact CD2-CD2 4.45Å; L4-L6 HydrophobicContact CD2-CG 4.24Å; L4-L6 HydrophobicContact CG-CG 4.44Å; L4-L6 PolarHBondContact O-N 3Å
7	Q	28.4	Very low	33.9	Very low	180 Å²	180	136.6 Å²	136.6	84%	0.841	75%	0.746	S	S	*	*			trans	-93.5	149.3	-172.9	-64.9	-178.9	-68.6	0	0	111.4	D9	Q7-D9 PolarHBondContact O-N 3.13Å
8	P	32.3	Very low	33.7	Very low	131 Å²	131	138.3 Å²	138.3	85%	0.851	74%	0.741	S	S	*	*			trans	-74.2	124.7	179.1	29.6	-34.4	0	0	0	112
9	D	32.7	Very low	33.7	Very low	124 Å²	124	140.9 Å²	140.9	66%	0.663	75%	0.745	S	S	*	*			trans	-109.6	69	-173	65.7	-43.2	0	0	0	113.2	Q7 L11	Q7-D9 PolarHBondContact O-N 3.13Å; D9-L11 PolarHBondContact O-N 2.87Å
10	S	37.3	Very low	33.5	Very low	127 Å²	127	137.6 Å²	137.6	89%	0.888	75%	0.745	S	S	*	*	S	Bend	trans	64	-2.5	165.7	70.2	0	0	0	0	118.8
11	L	38.2	Very low	33.5	Very low	104 Å²	104	134.7 Å²	134.7	55%	0.545	75%	0.747	S	S	.	*	S	Bend	trans	-127.5	119.7	168.9	-73.4	166.3	0	0	0	108.4	D9 V13	D9-L11 PolarHBondContact O-N 2.87Å; L11-V13 VanDerWaalsContact C-N 3.3Å; L11-V13 PolarHBondContact O-N 3.02Å
12	G	34.6	Very low	33	Very low	55 Å²	55	129.9 Å²	129.9	57%	0.567	72%	0.717	S	S	*	*			trans	-73.6	70.9	-169.2	0	0	0	0	0	114.7
13	V	35.5	Very low	33	Very low	65 Å²	65	131.4 Å²	131.4	39%	0.394	70%	0.7	S	S	.	*			trans	-98	111.4	174.7	-177.7	0	0	0	0	109.8	L11 I15	L11-V13 VanDerWaalsContact C-N 3.3Å; L11-V13 PolarHBondContact O-N 3.02Å; V13-I15 HydrophobicContact CG1-CD1 4.37Å; V13-I15 HydrophobicContact CG1-CG1 3.9Å
14	E	34.1	Very low	33.4	Very low	165 Å²	165	127 Å²	127	77%	0.771	68%	0.682	S	S	*	*			trans	-109.3	121.8	173	-169.7	165.2	-142.6	0	0	107.9
15	I	38.4	Very low	33.8	Very low	101 Å²	101	120.6 Å²	120.6	52%	0.518	65%	0.649	S	S	.	*			trans	-107.3	100.1	-172.8	-53.7	179.1	0	0	0	109.4	V13	V13-I15 HydrophobicContact CG1-CD1 4.37Å; V13-I15 HydrophobicContact CG1-CG1 3.9Å
16	D	35.5	Very low	34.4	Very low	125 Å²	125	116 Å²	116	67%	0.668	63%	0.631	S	S	*	*			trans	-107.7	143.5	179.6	-160.6	4.2	0	0	0	113.5
17	H	39.5	Very low	34.7	Very low	159 Å²	159	115.6 Å²	115.6	74%	0.736	62%	0.623	S	S	*	*			trans	63.1	145.5	169.8	-92.1	65.2	0	0	0	121.3
18	Y	31.1	Very low	35.1	Very low	167 Å²	167	114.5 Å²	114.5	66%	0.655	61%	0.612	S	S	*	*			trans	-122.3	127.5	-178.9	-127.6	-87.7	0	0	0	109.5	K23	Y18-K23 HydrophobicContact CE2-CD 4.49Å; Y18-K23 VanDerWaalsContact CE2-CE 3.49Å; Y18-K23 HydrophobicContact CE2-CG 4.22Å
19	K	32.4	Very low	35.4	Very low	188 Å²	188	115.3 Å²	115.3	82%	0.817	60%	0.604	S	S	*	*	B	Isolated β-bridge	trans	-155.8	134.3	170.3	-132.6	171.9	-174	173.7	0	113.2	G21 Y22	K19-G21 VanDerWaalsContact C-N 3.33Å; K19-G21 PolarHBondContact O-N 3.49Å; K19-Y22 PolarHBondContact O-N 3.45Å
20	G	31	Very low	35.5	Very low	74 Å²	74	118.5 Å²	118.5	76%	0.763	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	69.5	15.8	165.3	0	0	0	0	0	117.4	Y22	G20-Y22 WeakPolarHBondContact O-CD2 3.41Å
21	G	32.1	Very low	35.5	Very low	76 Å²	76	116.6 Å²	116.6	78%	0.784	62%	0.615	S	S	*	*	T	Hydrogen-bonded Turn	trans	86.5	2.2	179.4	0	0	0	0	0	115.2	K19	K19-G21 VanDerWaalsContact C-N 3.33Å; K19-G21 PolarHBondContact O-N 3.49Å
22	Y	29.5	Very low	35.2	Very low	150 Å²	150	116.5 Å²	116.5	59%	0.588	62%	0.619	S	S	*	*	B	Isolated β-bridge	trans	-102.2	139.4	171.8	-59.5	-93.1	0	0	0	109.5	K19 G20 L40	K19-Y22 PolarHBondContact O-N 3.45Å; G20-Y22 WeakPolarHBondContact O-CD2 3.41Å; Y22-L40 HydrophobicContact CD1-CD2 4.39Å
23	K	35.4	Very low	35.2	Very low	111 Å²	111	121.9 Å²	121.9	48%	0.483	63%	0.634	S	S	.	*	P	Polyproline II helix	trans	-97.5	134.8	158.7	-88.4	-167.4	170.7	-169.4	0	108.3	Y18	Y18-K23 HydrophobicContact CE2-CD 4.49Å; Y18-K23 VanDerWaalsContact CE2-CE 3.49Å; Y18-K23 HydrophobicContact CE2-CG 4.22Å
24	I	36.9	Very low	35	Very low	87 Å²	87	122.7 Å²	122.7	45%	0.446	65%	0.648	S	S	.	*	P	Polyproline II helix	trans	-101.2	138.1	165.8	-62	171.1	0	0	0	105.9	L38	I24-L38 HydrophobicContact CG2-CD1 3.95Å; I24-L38 HydrophobicContact CG2-CD2 4.2Å; I24-L38 HydrophobicContact CG2-CG 4.15Å
25	C	37.5	Very low	34.8	Very low	17 Å²	17	122.4 Å²	122.4	12%	0.115	64%	0.644	C	S	.	*			trans	-128.9	104	179.3	-65.2	0	0	0	0	107.6	C50	C25-C50 HydrophobicContact CB-CB 4.12Å; C25-C50 WeakPolarHBondContact CB-SG 3.07Å; C25-C50 WeakPolarHBondContact SG-CB 3.48Å; C25-C50 CovalentContact SG-SG 2.05Å; C25-C50 PolarHBondContact SG-SG 3.25Å
26	E	36.9	Very low	34.6	Very low	88 Å²	88	123.3 Å²	123.3	41%	0.411	65%	0.65	S	S	.	*			trans	-78.9	140.8	179.7	-168.5	175.1	148.2	0	0	110.2	R28	E26-R28 IonicContact OE1-NE 2.68Å; E26-R28 IonicContact OE1-NH2 3.57Å
27	F	38.4	Very low	34.5	Very low	134 Å²	134	122.3 Å²	122.3	59%	0.588	64%	0.641	S	S	*	*			trans	-122.8	109.1	-178.6	-121.7	-82.9	0	0	0	109.6
28	R	37	Very low	34.1	Very low	157 Å²	157	119.8 Å²	119.8	59%	0.592	63%	0.632	S	S	*	*			trans	-98.5	125.9	171.1	-85.3	-177.4	175.6	163.2	3.7	111	E26	E26-R28 IonicContact OE1-NE 2.68Å; E26-R28 IonicContact OE1-NH2 3.57Å
29	E	39.3	Very low	34.2	Very low	147 Å²	147	117.4 Å²	117.4	69%	0.687	62%	0.623	S	S	*	*			trans	-108.8	113.2	169.9	-167.6	170.6	-121.6	0	0	107.7
30	E	34.1	Very low	34	Very low	192 Å²	192	114.5 Å²	114.5	90%	0.897	62%	0.616	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66	142.4	179.4	-69.2	-165.5	137.1	0	0	111.6
31	G	37.6	Very low	34.1	Very low	86 Å²	86	116.8 Å²	116.8	89%	0.887	61%	0.605	S	S	*	*	T	Hydrogen-bonded Turn	trans	95.6	1.6	172.7	0	0	0	0	0	116.3
32	V	33.3	Very low	34	Very low	103 Å²	103	124.7 Å²	124.7	62%	0.624	61%	0.611	S	S	*	*	S	Bend	trans	-116.2	137.4	171.4	-173.6	0	0	0	0	109.8	A34	V32-A34 PolarHBondContact O-N 3.37Å
33	N	34	Very low	34	Very low	168 Å²	168	121.1 Å²	121.1	90%	0.898	61%	0.608	S	S	*	*			trans	-59.2	111.7	174.9	-89.2	-27.5	0	0	0	109.9
34	A	30.7	Very low	33.9	Very low	82 Å²	82	120.5 Å²	120.5	68%	0.678	62%	0.617	S	S	*	*			trans	-62.3	134.5	-165.6	0	0	0	0	0	113.5	V32	V32-A34 PolarHBondContact O-N 3.37Å
35	K	30.7	Very low	33.7	Very low	159 Å²	159	120.8 Å²	120.8	69%	0.691	63%	0.632	S	S	*	*			trans	-129.2	121.5	148.9	-82.4	-168.2	171.8	-170.8	0	106.6	E37	K35-E37 PolarHBondContact O-N 3.4Å
36	D	33	Very low	33.8	Very low	120 Å²	120	128.2 Å²	128.2	64%	0.642	67%	0.666	S	S	*	*			trans	-79.1	94.7	-174	-40.4	-64.2	0	0	0	109.1	L38	D36-L38 PolarHBondContact O-N 3.28Å
37	E	34	Very low	33.8	Very low	103 Å²	103	132.1 Å²	132.1	48%	0.481	68%	0.681	S	S	.	*			trans	-85.4	99.8	173.1	-73.7	-173.5	-168.5	0	0	109	K35 Y39 K520	K35-E37 PolarHBondContact O-N 3.4Å; E37-Y39 HydrophobicContact CB-CE2 4.5Å; E37-Y39 WeakPolarHBondContact O-CD2 3.43Å; E37-Y39 WeakPolarHBondContact O-CE2 3.3Å; E37-Y39 PolarHBondContact O-N 3.49Å; E37-K520 IonicContact OE1-NZ 3.21Å
38	L	30.4	Very low	33.8	Very low	106 Å²	106	132.5 Å²	132.5	56%	0.555	68%	0.683	S	S	*	*			trans	-82.8	106.2	-172.4	-167.2	132.2	0	0	0	112.2	I24 D36	I24-L38 HydrophobicContact CG2-CD1 3.95Å; I24-L38 HydrophobicContact CG2-CD2 4.2Å; I24-L38 HydrophobicContact CG2-CG 4.15Å; D36-L38 PolarHBondContact O-N 3.28Å
39	Y	34.1	Very low	33.9	Very low	117 Å²	117	127.4 Å²	127.4	46%	0.459	67%	0.671	S	S	.	*			trans	-82	120.2	-178.6	-65.4	-77.9	0	0	0	112.6	E37 F41	E37-Y39 HydrophobicContact CB-CE2 4.5Å; E37-Y39 WeakPolarHBondContact O-CD2 3.43Å; E37-Y39 WeakPolarHBondContact O-CE2 3.3Å; E37-Y39 PolarHBondContact O-N 3.49Å; Y39-F41 VanDerWaalsContact CB-CE2 3.5Å; Y39-F41 HydrophobicContact CG-CE2 4.48Å; Y39-F41 HydrophobicContact CG-CZ 4.4Å
40	L	28.8	Very low	33.7	Very low	127 Å²	127	122.3 Å²	122.3	67%	0.665	65%	0.651	S	S	*	*			trans	-105.4	93.2	-176.4	-131.3	160.7	0	0	0	110.3	Y22	Y22-L40 HydrophobicContact CD1-CD2 4.39Å
41	F	32.3	Very low	34.7	Very low	122 Å²	122	115.7 Å²	115.7	54%	0.535	63%	0.634	S	S	.	*			trans	-84.8	129.2	-177.9	-62.7	-80.4	0	0	0	112	Y39	Y39-F41 VanDerWaalsContact CB-CE2 3.5Å; Y39-F41 HydrophobicContact CG-CE2 4.48Å; Y39-F41 HydrophobicContact CG-CZ 4.4Å
42	R	29.4	Very low	34.8	Very low	242 Å²	242	122 Å²	122	91%	0.913	63%	0.631	S	S	*	*			trans	-97.3	97.4	172.1	-174.9	-179.6	-178.1	178.9	0.7	110
43	C	31	Very low	34.9	Very low	76 Å²	76	124 Å²	124	51%	0.514	63%	0.633	S	S	.	*			trans	-66.8	141.4	176.4	-58.4	0	0	0	0	111.8
44	S	32.9	Very low	35.1	Very low	97 Å²	97	119.5 Å²	119.5	68%	0.678	61%	0.614	S	S	*	*			trans	-77.7	155.4	159.6	-170.3	0	0	0	0	109.5	E46	S44-E46 PolarHBondContact O-N 3.31Å
45	A	32.9	Very low	35.4	Very low	93 Å²	93	120.2 Å²	120.2	77%	0.769	61%	0.613	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.5	-2.2	-165.1	0	0	0	0	0	116.1
46	E	39.4	Very low	35.4	Very low	174 Å²	174	120.1 Å²	120.1	81%	0.813	62%	0.619	S	S	*	*	T	Hydrogen-bonded Turn	trans	-115	-10.8	-166.8	-61.3	-178.8	157.8	0	0	114.7	S44	S44-E46 PolarHBondContact O-N 3.31Å
47	K	37.4	Very low	35.5	Very low	169 Å²	169	121.9 Å²	121.9	74%	0.735	62%	0.623	S	S	*	*			trans	-144.9	123.8	177.9	-65.8	-176.7	-176.2	168.7	0	111.8
48	F	37.3	Very low	35.5	Very low	143 Å²	143	124.9 Å²	124.9	63%	0.627	64%	0.637	S	S	*	*			trans	-100.7	115.2	176.8	-65.8	-84	0	0	0	110.8	C54 C55	F48-C54 WeakPolarHBondContact O-CA 3.45Å; F48-C55 HydrophobicContact CB-CB 4.29Å; F48-C55 PolarHBondContact O-N 3.22Å
49	C	39.1	Very low	35.7	Very low	50 Å²	50	125 Å²	125	34%	0.338	65%	0.645	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-139.6	144.7	170.2	-42	0	0	0	0	110.7	E53 C54	C49-E53 CarbonylContact C-O 3.51Å; C49-E53 WeakPolarHBondContact CA-O 3.46Å; C49-C54 HydrophobicContact CB-CB 3.91Å; C49-C54 WeakPolarHBondContact CB-SG 3.43Å; C49-C54 WeakPolarHBondContact SG-CA 3.39Å; C49-C54 WeakPolarHBondContact SG-CB 3.45Å; C49-C54 CovalentContact SG-SG 2.04Å; C49-C54 PolarHBondContact SG-SG 3.37Å
50	C	36.1	Very low	36.2	Very low	40 Å²	40	127.5 Å²	127.5	27%	0.27	66%	0.661	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-128.7	121.3	162.6	-117.3	0	0	0	0	109.1	C25 R52 E53	C25-C50 HydrophobicContact CB-CB 4.12Å; C25-C50 WeakPolarHBondContact CB-SG 3.07Å; C25-C50 WeakPolarHBondContact SG-CB 3.48Å; C25-C50 CovalentContact SG-SG 2.05Å; C25-C50 PolarHBondContact SG-SG 3.25Å; C50-R52 PolarHBondContact O-N 3.26Å; C50-E53 PolarHBondContact N-O 2.91Å; C50-E53 PolarHBondContact O-N 3.05Å
51	G	54.7	Low	37.2	Very low	52 Å²	52	127.8 Å²	127.8	54%	0.536	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	59.6	-128	-174.2	0	0	0	0	0	111.9
52	R	39.2	Very low	38.3	Very low	220 Å²	220	126.4 Å²	126.4	83%	0.83	67%	0.665	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.8	-19.2	179.8	-72.1	-178	173.4	173.6	-1.6	114	C50 C54	C50-R52 PolarHBondContact O-N 3.26Å; R52-C54 PolarHBondContact O-N 3.28Å
53	E	35	Very low	40.2	Very low	144 Å²	144	117.8 Å²	117.8	67%	0.673	64%	0.64	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-89.8	105.1	-179.7	-64.2	-159.7	136.7	0	0	110.3	C49 C50	C49-E53 CarbonylContact C-O 3.51Å; C49-E53 WeakPolarHBondContact CA-O 3.46Å; C50-E53 PolarHBondContact N-O 2.91Å; C50-E53 PolarHBondContact O-N 3.05Å
54	C	39.5	Very low	42.3	Very low	74 Å²	74	120.6 Å²	120.6	50%	0.5	65%	0.649	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-80.9	131.3	152.9	-70	0	0	0	0	108.6	F48 C49 R52 L56	F48-C54 WeakPolarHBondContact O-CA 3.45Å; C49-C54 HydrophobicContact CB-CB 3.91Å; C49-C54 WeakPolarHBondContact CB-SG 3.43Å; C49-C54 WeakPolarHBondContact SG-CA 3.39Å; C49-C54 WeakPolarHBondContact SG-CB 3.45Å; C49-C54 CovalentContact SG-SG 2.04Å; C49-C54 PolarHBondContact SG-SG 3.37Å; R52-C54 PolarHBondContact O-N 3.28Å; C54-L56 PolarHBondContact O-N 2.88Å
55	C	35.1	Very low	44.9	Very low	96 Å²	96	124.3 Å²	124.3	65%	0.649	65%	0.649	S	S	*	*			trans	-65.3	92.8	161.5	-67.5	0	0	0	0	107.1	F48 H57	F48-C55 HydrophobicContact CB-CB 4.29Å; F48-C55 PolarHBondContact O-N 3.22Å; C55-H57 PolarHBondContact O-N 3.27Å
56	L	32.3	Very low	47	Very low	158 Å²	158	120.5 Å²	120.5	83%	0.827	62%	0.617	S	S	*	*			trans	-60.5	97.1	159.8	-75	172.4	0	0	0	106.2	C54 E58	C54-L56 PolarHBondContact O-N 2.88Å; L56-E58 PolarHBondContact O-N 3.05Å; L56-E58 VanDerWaalsContact O-N 3.17Å
57	H	34.2	Very low	49	Very low	156 Å²	156	116.3 Å²	116.3	72%	0.722	60%	0.6	S	S	*	*	P	Polyproline II helix	trans	-50.2	121.6	148.3	-146.4	-71	0	0	0	105	C55 P59	C55-H57 PolarHBondContact O-N 3.27Å; H57-P59 VanDerWaalsContact O-N 3.13Å
58	E	34.5	Very low	51.3	Low	166 Å²	166	112.4 Å²	112.4	78%	0.776	59%	0.586	S	S	*	*	P	Polyproline II helix	trans	-51	127.9	168.4	-68.7	-174.4	125.1	0	0	106.1	L56 E60	L56-E58 PolarHBondContact O-N 3.05Å; L56-E58 VanDerWaalsContact O-N 3.17Å; E58-E60 PolarHBondContact O-N 3.35Å
59	P	34.7	Very low	53.8	Low	109 Å²	109	110 Å²	110	71%	0.708	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-59.2	117.2	176.3	25.1	-31.8	0	0	0	105.5	H57 V61	H57-P59 VanDerWaalsContact O-N 3.13Å; P59-V61 WeakPolarHBondContact O-CG2 3.5Å; P59-V61 PolarHBondContact O-N 3.12Å
60	E	44.1	Very low	56.1	Low	170 Å²	170	112.4 Å²	112.4	79%	0.794	59%	0.588	S	S	*	*			trans	-51.7	109.6	177.9	-74.4	-165.4	149.9	0	0	106.8	E58 L62	E58-E60 PolarHBondContact O-N 3.35Å; E60-L62 VanDerWaalsContact C-N 3.26Å; E60-L62 PolarHBondContact O-N 3.28Å
61	V	49.3	Very low	58.7	Low	132 Å²	132	115.8 Å²	115.8	80%	0.8	60%	0.603	S	S	*	*			trans	-71.3	93.8	-166.8	-179.3	0	0	0	0	105.8	P59 P63	P59-V61 WeakPolarHBondContact O-CG2 3.5Å; P59-V61 PolarHBondContact O-N 3.12Å; V61-P63 WeakPolarHBondContact O-CA 3.35Å; V61-P63 WeakPolarHBondContact O-CD 3.46Å
62	L	55.9	Low	60.5	Low	93 Å²	93	117.8 Å²	117.8	49%	0.487	60%	0.601	S	S	.	*			trans	-45.1	106.8	-172.7	-90.4	167.1	0	0	0	107.5	E60 L64 A66 L67	E60-L62 VanDerWaalsContact C-N 3.26Å; E60-L62 PolarHBondContact O-N 3.28Å; L62-L64 PolarHBondContact O-N 2.85Å; L62-A66 HydrophobicContact CD2-CB 3.94Å; L62-L67 HydrophobicContact CB-CG 4.24Å
63	P	69.5	Low	63.1	Low	62 Å²	62	112.2 Å²	112.2	40%	0.403	59%	0.587	S	S	.	*			trans	-59.9	146.6	-165.5	22.7	-34.7	0	0	0	107.9	V61 W65 A66	V61-P63 WeakPolarHBondContact O-CA 3.35Å; V61-P63 WeakPolarHBondContact O-CD 3.46Å; P63-W65 HydrophobicContact CG-CD2 4.37Å; P63-W65 HydrophobicContact CG-CZ2 3.83Å; P63-W65 VanDerWaalsContact CG-NE1 3.29Å; P63-W65 CarbonylContact O-C 3.57Å; P63-W65 PolarHBondContact O-N 3.14Å; P63-A66 HydrophobicContact CG-CB 4.35Å; P63-A66 WeakPolarHBondContact O-CA 3.38Å; P63-A66 WeakPolarHBondContact O-CB 3.27Å; P63-A66 PolarHBondContact O-N 2.77Å
64	L	75.2	Confident	65.8	Low	134 Å²	134	110.2 Å²	110.2	70%	0.702	58%	0.581	S	S	*	*	H	α-helix	trans	-50.7	-32.3	-161.7	-158.1	76.8	0	0	0	113.9	L62 A66 L67 I68	L62-L64 PolarHBondContact O-N 2.85Å; L64-A66 PolarHBondContact O-N 3.33Å; L64-L67 PolarHBondContact O-N 2.84Å; L64-I68 HydrophobicContact CD2-CD1 4.47Å; L64-I68 HydrophobicContact CG-CD1 4.27Å; L64-I68 WeakPolarHBondContact O-CD1 3.35Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.47Å; L64-I68 PolarHBondContact O-N 2.87Å
65	W	87.1	Confident	68.3	Low	176 Å²	176	111.6 Å²	111.6	67%	0.667	58%	0.582	S	S	*	*	H	α-helix	trans	-60.7	-34.8	173.6	66.9	-102.2	0	0	0	114.5	P63 I68 L69	P63-W65 HydrophobicContact CG-CD2 4.37Å; P63-W65 HydrophobicContact CG-CZ2 3.83Å; P63-W65 VanDerWaalsContact CG-NE1 3.29Å; P63-W65 CarbonylContact O-C 3.57Å; P63-W65 PolarHBondContact O-N 3.14Å; W65-I68 PolarHBondContact O-N 2.91Å; W65-L69 WeakPolarHBondContact O-CB 3.36Å; W65-L69 PolarHBondContact O-N 3.04Å
66	A	78.4	Confident	71.1	Confident	12 Å²	12	112.2 Å²	112.2	10%	0.099	58%	0.578	C	S	.	*	H	α-helix	trans	-73.4	-39.2	179.3	0	0	0	0	0	111.8	L62 P63 L64 L69 L70	L62-A66 HydrophobicContact CD2-CB 3.94Å; P63-A66 HydrophobicContact CG-CB 4.35Å; P63-A66 WeakPolarHBondContact O-CA 3.38Å; P63-A66 WeakPolarHBondContact O-CB 3.27Å; P63-A66 PolarHBondContact O-N 2.77Å; L64-A66 PolarHBondContact O-N 3.33Å; A66-L69 WeakPolarHBondContact O-CB 3.1Å; A66-L69 PolarHBondContact O-N 3.31Å; A66-L70 PolarHBondContact O-N 2.99Å
67	L	80.4	Confident	73.9	Confident	86 Å²	86	111.5 Å²	111.5	45%	0.45	57%	0.569	S	S	.	*	H	α-helix	trans	-62.8	-41.8	169.9	-79.6	165.5	0	0	0	111.5	L62 L64 L70 L71	L62-L67 HydrophobicContact CB-CG 4.24Å; L64-L67 PolarHBondContact O-N 2.84Å; L67-L70 PolarHBondContact O-N 2.95Å; L67-L71 PolarHBondContact O-N 2.68Å
68	I	86.6	Confident	76.7	Confident	87 Å²	87	107.8 Å²	107.8	45%	0.446	55%	0.554	S	S	.	*	H	α-helix	trans	-62.5	-41.5	173.3	-68.8	163.9	0	0	0	111	L64 W65 L70 L71 L72	L64-I68 HydrophobicContact CD2-CD1 4.47Å; L64-I68 HydrophobicContact CG-CD1 4.27Å; L64-I68 WeakPolarHBondContact O-CD1 3.35Å; L64-I68 VanDerWaalsContact O-CG1 3.25Å; L64-I68 WeakPolarHBondContact O-CG1 3.47Å; L64-I68 PolarHBondContact O-N 2.87Å; W65-I68 PolarHBondContact O-N 2.91Å; I68-L70 PolarHBondContact O-N 3.32Å; I68-L71 PolarHBondContact O-N 2.82Å; I68-L72 HydrophobicContact CG2-CD1 3.93Å; I68-L72 HydrophobicContact CG2-CG 4.45Å; I68-L72 WeakPolarHBondContact O-CB 3.02Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.93Å
69	L	89.4	Confident	79.4	Confident	93 Å²	93	104.4 Å²	104.4	49%	0.487	54%	0.544	S	S	.	.	H	α-helix	trans	-62.5	-42.1	176.9	-152.9	86.2	0	0	0	111.8	W65 A66 L72 L73	W65-L69 WeakPolarHBondContact O-CB 3.36Å; W65-L69 PolarHBondContact O-N 3.04Å; A66-L69 WeakPolarHBondContact O-CB 3.1Å; A66-L69 PolarHBondContact O-N 3.31Å; L69-L72 PolarHBondContact O-N 3.25Å; L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 WeakPolarHBondContact O-CG 3.29Å; L69-L73 PolarHBondContact O-N 3.06Å
70	L	87.4	Confident	82.1	Confident	101 Å²	101	103.3 Å²	103.3	53%	0.529	54%	0.538	S	S	.	.	H	α-helix	trans	-63.4	-43	176.9	-120.3	152.3	0	0	0	111.7	A66 L67 I68 L73 L74	A66-L70 PolarHBondContact O-N 2.99Å; L67-L70 PolarHBondContact O-N 2.95Å; I68-L70 PolarHBondContact O-N 3.32Å; L70-L73 PolarHBondContact O-N 2.92Å; L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 PolarHBondContact O-N 2.03Å
71	L	90	Very high	84.4	Confident	110 Å²	110	99.2 Å²	99.2	58%	0.576	52%	0.521	S	S	*	.	H	α-helix	trans	-64	-41	173.9	-77.8	163.4	0	0	0	112.5	L67 I68 L74 L75	L67-L71 PolarHBondContact O-N 2.68Å; I68-L71 PolarHBondContact O-N 2.82Å; L71-L74 PolarHBondContact O-N 2.99Å; L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.01Å; L71-L75 PolarHBondContact O-N 2.81Å
72	L	92.8	Very high	86.3	Confident	94 Å²	94	97.9 Å²	97.9	49%	0.492	51%	0.509	S	S	.	.	H	α-helix	trans	-65.8	-40.9	175.9	-74.3	168.8	0	0	0	112.2	I68 L69 L75 L76	I68-L72 HydrophobicContact CG2-CD1 3.93Å; I68-L72 HydrophobicContact CG2-CG 4.45Å; I68-L72 WeakPolarHBondContact O-CB 3.02Å; I68-L72 WeakPolarHBondContact O-CG 3.43Å; I68-L72 PolarHBondContact O-N 2.93Å; L69-L72 PolarHBondContact O-N 3.25Å; L72-L75 PolarHBondContact O-N 2.87Å; L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 WeakPolarHBondContact O-CG 3.28Å; L72-L76 PolarHBondContact O-N 2.9Å
73	L	93.7	Very high	87.9	Confident	103 Å²	103	95.5 Å²	95.5	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-64.4	-41.4	174.1	-74.5	167.6	0	0	0	111.8	L69 L70 L76 F77	L69-L73 WeakPolarHBondContact O-CB 3.36Å; L69-L73 WeakPolarHBondContact O-CG 3.29Å; L69-L73 PolarHBondContact O-N 3.06Å; L70-L73 PolarHBondContact O-N 2.92Å; L73-L76 PolarHBondContact O-N 2.85Å; L73-F77 WeakPolarHBondContact O-CB 3.41Å; L73-F77 PolarHBondContact O-N 3.18Å
74	L	92.3	Very high	88.8	Confident	103 Å²	103	94.9 Å²	94.9	54%	0.539	51%	0.506	S	S	.	.	H	α-helix	trans	-63.8	-43.3	176	-159.2	101.8	0	0	0	111.6	L70 L71 F77 I78	L70-L74 WeakPolarHBondContact O-CB 3.36Å; L70-L74 PolarHBondContact O-N 2.03Å; L71-L74 PolarHBondContact O-N 2.99Å; L74-F77 PolarHBondContact O-N 2.84Å; L74-I78 HydrophobicContact CD2-CD1 4.07Å; L74-I78 HydrophobicContact CG-CD1 4.36Å; L74-I78 VanDerWaalsContact O-CG1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.38Å; L74-I78 PolarHBondContact O-N 3.39Å
75	L	92.5	Very high	89.4	Confident	103 Å²	103	94.1 Å²	94.1	54%	0.539	50%	0.501	S	S	.	.	H	α-helix	trans	-61	-45.5	174.1	-82.5	164.1	0	0	0	112.1	L71 L72 F77 I78 V79	L71-L75 WeakPolarHBondContact O-CB 3.26Å; L71-L75 WeakPolarHBondContact O-CG 3.01Å; L71-L75 PolarHBondContact O-N 2.81Å; L72-L75 PolarHBondContact O-N 2.87Å; L75-F77 VanDerWaalsContact C-N 3.32Å; L75-F77 PolarHBondContact O-N 2.61Å; L75-I78 PolarHBondContact O-N 2.82Å; L75-V79 WeakPolarHBondContact O-CG2 3.02Å; L75-V79 PolarHBondContact O-N 2.03Å
76	L	91.9	Very high	89.3	Confident	108 Å²	108	90.5 Å²	90.5	57%	0.565	50%	0.498	S	S	*	.	H	α-helix	trans	-60.1	-41.7	174.6	-77.3	166.2	0	0	0	111.7	L72 L73 V79 C80	L72-L76 WeakPolarHBondContact O-CB 3.37Å; L72-L76 WeakPolarHBondContact O-CG 3.28Å; L72-L76 PolarHBondContact O-N 2.9Å; L73-L76 PolarHBondContact O-N 2.85Å; L76-V79 PolarHBondContact O-N 3.42Å; L76-C80 WeakPolarHBondContact O-CB 3.41Å; L76-C80 PolarHBondContact O-N 3.12Å; L76-C80 PolarHBondContact O-SG 3.3Å; L76-C80 VanDerWaalsContact O-SG 3.35Å
77	F	92.2	Very high	89.6	Confident	144 Å²	144	96.5 Å²	96.5	63%	0.632	52%	0.519	S	S	*	.	H	α-helix	trans	-64.5	-42.6	178	-158.3	-104.7	0	0	0	112	L73 L74 L75 C80 I81	L73-F77 WeakPolarHBondContact O-CB 3.41Å; L73-F77 PolarHBondContact O-N 3.18Å; L74-F77 PolarHBondContact O-N 2.84Å; L75-F77 VanDerWaalsContact C-N 3.32Å; L75-F77 PolarHBondContact O-N 2.61Å; F77-C80 PolarHBondContact O-N 3.33Å; F77-I81 HydrophobicContact CD1-CD1 3.72Å; F77-I81 HydrophobicContact CD1-CG1 4.49Å; F77-I81 HydrophobicContact CE1-CD1 3.68Å; F77-I81 HydrophobicContact CE1-CG1 4.47Å; F77-I81 WeakPolarHBondContact O-CG1 3.5Å; F77-I81 PolarHBondContact O-N 3Å
78	I	92.1	Very high	89.7	Confident	78 Å²	78	97 Å²	97	40%	0.4	52%	0.522	S	S	.	.	H	α-helix	trans	-62	-45	173.9	-68.9	164	0	0	0	110.9	L74 L75 C80 I81 L82	L74-I78 HydrophobicContact CD2-CD1 4.07Å; L74-I78 HydrophobicContact CG-CD1 4.36Å; L74-I78 VanDerWaalsContact O-CG1 3.31Å; L74-I78 WeakPolarHBondContact O-CG1 3.38Å; L74-I78 PolarHBondContact O-N 3.39Å; L75-I78 PolarHBondContact O-N 2.82Å; I78-C80 VanDerWaalsContact C-N 3.33Å; I78-C80 PolarHBondContact O-N 2.91Å; I78-I81 PolarHBondContact O-N 3.45Å; I78-L82 HydrophobicContact CG2-CD1 3.93Å; I78-L82 HydrophobicContact CG2-CG 4.45Å; I78-L82 WeakPolarHBondContact O-CG 3.36Å; I78-L82 PolarHBondContact O-N 3.11Å
79	V	92.6	Very high	89.4	Confident	94 Å²	94	96.6 Å²	96.6	57%	0.57	53%	0.526	S	S	*	.	H	α-helix	trans	-62.2	-39.8	176.1	169.4	0	0	0	0	111.5	L75 L76 L82 G83	L75-V79 WeakPolarHBondContact O-CG2 3.02Å; L75-V79 PolarHBondContact O-N 2.03Å; L76-V79 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 2.87Å; V79-G83 PolarHBondContact O-N 3.48Å
80	C	90.9	Very high	88.9	Confident	86 Å²	86	99.9 Å²	99.9	58%	0.581	54%	0.536	S	S	*	.	H	α-helix	trans	-63.8	-42.8	174.2	-76.6	0	0	0	0	112.5	L76 F77 I78 G83 A84	L76-C80 WeakPolarHBondContact O-CB 3.41Å; L76-C80 PolarHBondContact O-N 3.12Å; L76-C80 PolarHBondContact O-SG 3.3Å; L76-C80 VanDerWaalsContact O-SG 3.35Å; F77-C80 PolarHBondContact O-N 3.33Å; I78-C80 VanDerWaalsContact C-N 3.33Å; I78-C80 PolarHBondContact O-N 2.91Å; C80-G83 PolarHBondContact O-N 3.43Å; C80-A84 WeakPolarHBondContact O-CB 3.37Å; C80-A84 PolarHBondContact O-N 2.88Å
81	I	91.3	Very high	88.4	Confident	85 Å²	85	101.7 Å²	101.7	44%	0.436	54%	0.536	S	S	.	.	H	α-helix	trans	-63.2	-46.5	175.6	-71.2	169.8	0	0	0	110.8	F77 I78 G83 A84 M85	F77-I81 HydrophobicContact CD1-CD1 3.72Å; F77-I81 HydrophobicContact CD1-CG1 4.49Å; F77-I81 HydrophobicContact CE1-CD1 3.68Å; F77-I81 HydrophobicContact CE1-CG1 4.47Å; F77-I81 WeakPolarHBondContact O-CG1 3.5Å; F77-I81 PolarHBondContact O-N 3Å; I78-I81 PolarHBondContact O-N 3.45Å; I81-G83 VanDerWaalsContact C-N 3.35Å; I81-G83 PolarHBondContact O-N 2.71Å; I81-A84 PolarHBondContact O-N 2.85Å; I81-M85 HydrophobicContact CG2-CG 4.45Å; I81-M85 WeakPolarHBondContact O-CB 3.36Å; I81-M85 VanDerWaalsContact O-CG 3.28Å; I81-M85 WeakPolarHBondContact O-CG 3.48Å; I81-M85 PolarHBondContact O-N 3.3Å
82	L	90.1	Very high	87.4	Confident	104 Å²	104	105.6 Å²	105.6	55%	0.545	54%	0.543	S	S	.	.	H	α-helix	trans	-62.9	-41	177.2	-69.3	171.4	0	0	0	111.7	I78 V79 M85 V86	I78-L82 HydrophobicContact CG2-CD1 3.93Å; I78-L82 HydrophobicContact CG2-CG 4.45Å; I78-L82 WeakPolarHBondContact O-CG 3.36Å; I78-L82 PolarHBondContact O-N 3.11Å; V79-L82 PolarHBondContact O-N 2.87Å; L82-M85 PolarHBondContact O-N 2.84Å; L82-V86 WeakPolarHBondContact O-CG2 3.36Å; L82-V86 PolarHBondContact O-N 2.85Å
83	G	90.5	Very high	86.1	Confident	42 Å²	42	110.4 Å²	110.4	43%	0.433	55%	0.554	S	S	.	*	H	α-helix	trans	-61.6	-43.2	173.4	0	0	0	0	0	112.8	V79 C80 I81 V86 Y87	V79-G83 PolarHBondContact O-N 3.48Å; C80-G83 PolarHBondContact O-N 3.43Å; I81-G83 VanDerWaalsContact C-N 3.35Å; I81-G83 PolarHBondContact O-N 2.71Å; G83-V86 PolarHBondContact O-N 3.21Å; G83-Y87 WeakPolarHBondContact O-CB 3.44Å; G83-Y87 PolarHBondContact O-N 2.93Å
84	A	87	Confident	84.5	Confident	49 Å²	49	109.3 Å²	109.3	41%	0.405	56%	0.555	S	S	.	*	H	α-helix	trans	-64.5	-43.7	175.5	0	0	0	0	0	112	C80 I81 Y87 L88	C80-A84 WeakPolarHBondContact O-CB 3.37Å; C80-A84 PolarHBondContact O-N 2.88Å; I81-A84 PolarHBondContact O-N 2.85Å; A84-Y87 PolarHBondContact O-N 3.17Å; A84-L88 WeakPolarHBondContact O-CB 3.15Å; A84-L88 VanDerWaalsContact O-CG 3.26Å; A84-L88 WeakPolarHBondContact O-CG 3.25Å; A84-L88 PolarHBondContact O-N 3.49Å
85	M	87.3	Confident	82.9	Confident	118 Å²	118	111.2 Å²	111.2	58%	0.581	56%	0.559	S	S	*	*	H	α-helix	trans	-58	-49.6	173.9	-73.7	-76.1	-121.6	0	0	111.5	I81 L82 Y87 L88 C89	I81-M85 HydrophobicContact CG2-CG 4.45Å; I81-M85 WeakPolarHBondContact O-CB 3.36Å; I81-M85 VanDerWaalsContact O-CG 3.28Å; I81-M85 WeakPolarHBondContact O-CG 3.48Å; I81-M85 PolarHBondContact O-N 3.3Å; L82-M85 PolarHBondContact O-N 2.84Å; M85-Y87 PolarHBondContact O-N 2.93Å; M85-L88 PolarHBondContact O-N 2.78Å; M85-C89 WeakPolarHBondContact O-CB 3.46Å; M85-C89 PolarHBondContact O-N 3.13Å; M85-C89 PolarHBondContact O-SG 3.49Å; M85-C89 VanDerWaalsContact O-SG 3.38Å
86	V	86.8	Confident	81.2	Confident	100 Å²	100	110.2 Å²	110.2	61%	0.606	55%	0.554	S	S	*	*	H	α-helix	trans	-62	-42	177.1	170.4	0	0	0	0	111.5	L82 G83 C89 K90	L82-V86 WeakPolarHBondContact O-CG2 3.36Å; L82-V86 PolarHBondContact O-N 2.85Å; G83-V86 PolarHBondContact O-N 3.21Å; V86-C89 PolarHBondContact O-N 2.77Å; V86-K90 WeakPolarHBondContact O-CB 3.47Å; V86-K90 PolarHBondContact O-N 2.86Å
87	Y	84.7	Confident	79.4	Confident	138 Å²	138	113 Å²	113	54%	0.541	56%	0.562	S	S	.	*	H	α-helix	trans	-61.9	-45.5	175.3	177.6	-95.3	0	0	0	111.9	G83 A84 M85 K90 R91	G83-Y87 WeakPolarHBondContact O-CB 3.44Å; G83-Y87 PolarHBondContact O-N 2.93Å; A84-Y87 PolarHBondContact O-N 3.17Å; M85-Y87 PolarHBondContact O-N 2.93Å; Y87-K90 PolarHBondContact O-N 3.46Å; Y87-R91 VanDerWaalsContact O-CB 3.25Å; Y87-R91 WeakPolarHBondContact O-CB 3.49Å; Y87-R91 PolarHBondContact O-N 2.96Å
88	L	81.5	Confident	77.6	Confident	98 Å²	98	111.6 Å²	111.6	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-64.3	-42	177.6	-72.1	170.4	0	0	0	112	A84 M85 R91 R92	A84-L88 WeakPolarHBondContact O-CB 3.15Å; A84-L88 VanDerWaalsContact O-CG 3.26Å; A84-L88 WeakPolarHBondContact O-CG 3.25Å; A84-L88 PolarHBondContact O-N 3.49Å; M85-L88 PolarHBondContact O-N 2.78Å; L88-R91 PolarHBondContact O-N 3.25Å; L88-R92 PolarHBondContact O-N 3.43Å
89	C	79.5	Confident	75.6	Confident	78 Å²	78	111.5 Å²	111.5	53%	0.527	56%	0.564	S	S	.	*	H	α-helix	trans	-62	-42.7	173	-72.5	0	0	0	0	112.3	M85 V86 R92 R93	M85-C89 WeakPolarHBondContact O-CB 3.46Å; M85-C89 PolarHBondContact O-N 3.13Å; M85-C89 PolarHBondContact O-SG 3.49Å; M85-C89 VanDerWaalsContact O-SG 3.38Å; V86-C89 PolarHBondContact O-N 2.77Å; C89-R92 PolarHBondContact O-N 3.3Å; C89-R93 PolarHBondContact O-N 3.35Å
90	K	79.6	Confident	73.6	Confident	161 Å²	161	111.2 Å²	111.2	70%	0.7	56%	0.562	S	S	*	*	H	α-helix	trans	-68.1	-34.9	177	-160.5	172.2	-174.4	177.8	0	111.6	V86 Y87 S94	V86-K90 WeakPolarHBondContact O-CB 3.47Å; V86-K90 PolarHBondContact O-N 2.86Å; Y87-K90 PolarHBondContact O-N 3.46Å; K90-S94 WeakPolarHBondContact O-CB 3.5Å; K90-S94 PolarHBondContact O-N 3.04Å
91	R	76.8	Confident	71.7	Confident	140 Å²	140	109.9 Å²	109.9	53%	0.528	55%	0.554	S	S	.	*	H	α-helix	trans	-73.8	-35.4	176	-164	176	-171.4	-167.3	5.3	112.6	Y87 L88 K95	Y87-R91 VanDerWaalsContact O-CB 3.25Å; Y87-R91 WeakPolarHBondContact O-CB 3.49Å; Y87-R91 PolarHBondContact O-N 2.96Å; L88-R91 PolarHBondContact O-N 3.25Å; R91-K95 PolarHBondContact O-N 3.3Å
92	R	69.3	Low	69.6	Low	191 Å²	191	112.6 Å²	112.6	72%	0.721	56%	0.563	S	S	*	*	H	α-helix	trans	-59.6	-60	166.6	-88	-173.4	171.3	169.8	-2	109.9	L88 C89 S94 K95 D96	L88-R92 PolarHBondContact O-N 3.43Å; C89-R92 PolarHBondContact O-N 3.3Å; R92-S94 PolarHBondContact O-N 2.97Å; R92-K95 CarbonylContact O-C 3.57Å; R92-K95 WeakPolarHBondContact O-CA 3.34Å; R92-K95 WeakPolarHBondContact O-CB 3.32Å; R92-K95 PolarHBondContact O-N 2.87Å; R92-D96 PolarHBondContact O-N 3.38Å
93	R	65	Low	67.7	Low	195 Å²	195	111.3 Å²	111.3	74%	0.736	56%	0.559	S	S	*	*	H	α-helix	trans	-52.4	-30.7	178.1	-74.4	-176.3	175	-177.5	-0.3	114.4	C89 D96 K97	C89-R93 PolarHBondContact O-N 3.35Å; R93-D96 WeakPolarHBondContact CA-OD2 3.4Å; R93-D96 PolarHBondContact N-OD2 3.18Å; R93-K97 WeakPolarHBondContact O-CG 3.22Å; R93-K97 PolarHBondContact O-N 3.11Å
94	S	60.7	Low	65.7	Low	80 Å²	80	112.2 Å²	112.2	56%	0.559	56%	0.556	S	S	*	*	H	α-helix	trans	-76.1	-43.9	173.9	-165.9	0	0	0	0	113.1	K90 R92 D96 L98	K90-S94 WeakPolarHBondContact O-CB 3.5Å; K90-S94 PolarHBondContact O-N 3.04Å; R92-S94 PolarHBondContact O-N 2.97Å; S94-D96 VanDerWaalsContact C-N 3.32Å; S94-D96 PolarHBondContact O-N 3.11Å; S94-L98 PolarHBondContact O-N 3.05Å; S94-L98 VanDerWaalsContact O-N 3.15Å
95	K	57.9	Low	63.8	Low	144 Å²	144	114.7 Å²	114.7	63%	0.626	56%	0.562	S	S	*	*	H	α-helix	trans	-58.7	-44.5	170	-81	-170.5	172.7	-170.7	0	111.3	R91 R92 K97 L98 T99	R91-K95 PolarHBondContact O-N 3.3Å; R92-K95 CarbonylContact O-C 3.57Å; R92-K95 WeakPolarHBondContact O-CA 3.34Å; R92-K95 WeakPolarHBondContact O-CB 3.32Å; R92-K95 PolarHBondContact O-N 2.87Å; K95-K97 PolarHBondContact O-N 3.39Å; K95-L98 CarbonylContact O-C 3.6Å; K95-L98 WeakPolarHBondContact O-CA 3.24Å; K95-L98 WeakPolarHBondContact O-CB 3.42Å; K95-L98 PolarHBondContact O-N 3.18Å; K95-T99 PolarHBondContact O-N 2.9Å; K95-T99 PolarHBondContact O-OG1 3.16Å
96	D	56.8	Low	61.6	Low	81 Å²	81	118.8 Å²	118.8	43%	0.433	57%	0.571	S	S	.	*	H	α-helix	trans	-58.5	-50.2	-178.1	-55.8	-29.5	0	0	0	110.4	R92 R93 S94 L98 T99 T100	R92-D96 PolarHBondContact O-N 3.38Å; R93-D96 WeakPolarHBondContact CA-OD2 3.4Å; R93-D96 PolarHBondContact N-OD2 3.18Å; S94-D96 VanDerWaalsContact C-N 3.32Å; S94-D96 PolarHBondContact O-N 3.11Å; D96-L98 VanDerWaalsContact C-N 3.26Å; D96-L98 PolarHBondContact O-N 3.39Å; D96-T99 WeakPolarHBondContact CA-OG1 3.23Å; D96-T99 PolarHBondContact O-N 3.21Å; D96-T99 VanDerWaalsContact O-N 3.1Å; D96-T99 PolarHBondContact O-OG1 3.33Å; D96-T100 PolarHBondContact O-N 3.2Å; D96-T100 PolarHBondContact O-OG1 2.99Å
97	K	55.8	Low	59.5	Low	168 Å²	168	119.2 Å²	119.2	73%	0.73	57%	0.567	S	S	*	*	H	α-helix	trans	-57.3	-35.9	172.6	-77.2	-172.4	173.9	-167.4	0	113.1	R93 K95 S101	R93-K97 WeakPolarHBondContact O-CG 3.22Å; R93-K97 PolarHBondContact O-N 3.11Å; K95-K97 PolarHBondContact O-N 3.39Å; K97-S101 WeakPolarHBondContact O-CB 3.42Å; K97-S101 PolarHBondContact O-N 3.1Å; K97-S101 VanDerWaalsContact O-N 3.1Å
98	L	53.5	Low	57.7	Low	113 Å²	113	120.7 Å²	120.7	59%	0.592	58%	0.576	S	S	*	*	H	α-helix	trans	-73.5	-32.4	177.5	-150.8	76.6	0	0	0	112.5	S94 K95 D96 K102	S94-L98 PolarHBondContact O-N 3.05Å; S94-L98 VanDerWaalsContact O-N 3.15Å; K95-L98 CarbonylContact O-C 3.6Å; K95-L98 WeakPolarHBondContact O-CA 3.24Å; K95-L98 WeakPolarHBondContact O-CB 3.42Å; K95-L98 PolarHBondContact O-N 3.18Å; D96-L98 VanDerWaalsContact C-N 3.26Å; D96-L98 PolarHBondContact O-N 3.39Å; L98-K102 WeakPolarHBondContact O-CG 3.48Å; L98-K102 PolarHBondContact O-N 3.13Å; L98-K102 VanDerWaalsContact O-N 3.15Å
99	T	50.9	Low	55.9	Low	77 Å²	77	120.2 Å²	120.2	47%	0.472	58%	0.581	S	S	.	*	H	α-helix	trans	-73.8	-42.4	171	31.2	0	0	0	0	112.5	K95 D96 S101 K102 V103	K95-T99 PolarHBondContact O-N 2.9Å; K95-T99 PolarHBondContact O-OG1 3.16Å; D96-T99 WeakPolarHBondContact CA-OG1 3.23Å; D96-T99 PolarHBondContact O-N 3.21Å; D96-T99 VanDerWaalsContact O-N 3.1Å; D96-T99 PolarHBondContact O-OG1 3.33Å; T99-S101 VanDerWaalsContact C-N 3.26Å; T99-S101 PolarHBondContact O-N 2.64Å; T99-K102 CarbonylContact O-C 3.59Å; T99-K102 WeakPolarHBondContact O-CA 3.37Å; T99-K102 PolarHBondContact O-N 3.25Å; T99-V103 WeakPolarHBondContact O-CG2 3.42Å; T99-V103 PolarHBondContact O-N 3.09Å
100	T	50.7	Low	54	Low	87 Å²	87	120.3 Å²	120.3	53%	0.534	58%	0.582	S	S	.	*	H	α-helix	trans	-58.8	-40.2	174.4	-44.4	0	0	0	0	111.1	D96 K102 V103 T104	D96-T100 PolarHBondContact O-N 3.2Å; D96-T100 PolarHBondContact O-OG1 2.99Å; T100-K102 VanDerWaalsContact C-N 3.34Å; T100-K102 PolarHBondContact O-N 3.46Å; T100-V103 PolarHBondContact O-N 3.03Å; T100-T104 WeakPolarHBondContact O-CB 3.29Å; T100-T104 WeakPolarHBondContact O-CG2 3.01Å; T100-T104 PolarHBondContact O-N 3.06Å; T100-T104 PolarHBondContact O-OG1 3.03Å
101	S	49.3	Very low	52.1	Low	59 Å²	59	121.8 Å²	121.8	41%	0.413	59%	0.585	S	S	.	*	H	α-helix	trans	-67.3	-27.8	173.3	-171.2	0	0	0	0	113.8	K97 T99 T104 N105	K97-S101 WeakPolarHBondContact O-CB 3.42Å; K97-S101 PolarHBondContact O-N 3.1Å; K97-S101 VanDerWaalsContact O-N 3.1Å; T99-S101 VanDerWaalsContact C-N 3.26Å; T99-S101 PolarHBondContact O-N 2.64Å; S101-T104 PolarHBondContact O-OG1 3.04Å; S101-N105 WeakPolarHBondContact O-CB 3.11Å; S101-N105 PolarHBondContact O-N 3.41Å; S101-N105 PolarHBondContact O-ND2 2.98Å
102	K	47.8	Very low	50.3	Low	142 Å²	142	118.1 Å²	118.1	62%	0.617	59%	0.591	S	S	*	*	H	α-helix	trans	-82.9	-32.5	174	-78.5	-177.6	174.7	-173.1	0	113.8	L98 T99 T100 R106	L98-K102 WeakPolarHBondContact O-CG 3.48Å; L98-K102 PolarHBondContact O-N 3.13Å; L98-K102 VanDerWaalsContact O-N 3.15Å; T99-K102 CarbonylContact O-C 3.59Å; T99-K102 WeakPolarHBondContact O-CA 3.37Å; T99-K102 PolarHBondContact O-N 3.25Å; T100-K102 VanDerWaalsContact C-N 3.34Å; T100-K102 PolarHBondContact O-N 3.46Å; K102-R106 WeakPolarHBondContact O-CB 3.1Å; K102-R106 PolarHBondContact O-N 3.38Å
103	V	49.8	Very low	48.9	Very low	76 Å²	76	115.9 Å²	115.9	46%	0.461	59%	0.593	S	S	.	*	H	α-helix	trans	-68.4	-54.2	174.9	170.7	0	0	0	0	109.6	T99 T100 N105 R106 E107	T99-V103 WeakPolarHBondContact O-CG2 3.42Å; T99-V103 PolarHBondContact O-N 3.09Å; T100-V103 PolarHBondContact O-N 3.03Å; V103-N105 PolarHBondContact O-N 2.05Å; V103-N105 VanDerWaalsContact O-N 3.14Å; V103-R106 CarbonylContact O-C 3.56Å; V103-R106 WeakPolarHBondContact O-CA 3.11Å; V103-R106 PolarHBondContact O-N 3.13Å; V103-E107 HydrophobicContact CG1-CG 4.29Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.23Å; V103-E107 WeakPolarHBondContact O-CG 3.46Å; V103-E107 PolarHBondContact O-N 3.39Å
104	T	49.6	Very low	47.5	Very low	61 Å²	61	113.9 Å²	113.9	37%	0.374	60%	0.596	S	S	.	*	H	α-helix	trans	-59.6	-28.1	178.1	49.9	0	0	0	0	114.4	T100 S101 K108	T100-T104 WeakPolarHBondContact O-CB 3.29Å; T100-T104 WeakPolarHBondContact O-CG2 3.01Å; T100-T104 PolarHBondContact O-N 3.06Å; T100-T104 PolarHBondContact O-OG1 3.03Å; S101-T104 PolarHBondContact O-OG1 3.04Å; T104-K108 WeakPolarHBondContact O-CB 3.47Å; T104-K108 WeakPolarHBondContact O-CG 3.29Å; T104-K108 PolarHBondContact O-N 3.02Å
105	N	47.2	Very low	46.5	Very low	102 Å²	102	118.7 Å²	118.7	55%	0.545	61%	0.61	S	S	.	*	H	α-helix	trans	-81	-28.6	171.9	-80.1	-53.1	0	0	0	113.4	S101 V103 S109	S101-N105 WeakPolarHBondContact O-CB 3.11Å; S101-N105 PolarHBondContact O-N 3.41Å; S101-N105 PolarHBondContact O-ND2 2.98Å; V103-N105 PolarHBondContact O-N 2.05Å; V103-N105 VanDerWaalsContact O-N 3.14Å; N105-S109 WeakPolarHBondContact O-CB 3.21Å; N105-S109 PolarHBondContact O-N 3.33Å; N105-S109 VanDerWaalsContact O-N 3.14Å
106	R	41.1	Very low	45.6	Very low	203 Å²	203	122.1 Å²	122.1	77%	0.766	62%	0.619	S	S	*	*	H	α-helix	trans	-74.1	-39.2	171.8	-88.7	-174	164.4	-177.3	-5.9	112.4	K102 V103 S109 S110	K102-R106 WeakPolarHBondContact O-CB 3.1Å; K102-R106 PolarHBondContact O-N 3.38Å; V103-R106 CarbonylContact O-C 3.56Å; V103-R106 WeakPolarHBondContact O-CA 3.11Å; V103-R106 PolarHBondContact O-N 3.13Å; R106-S109 CarbonylContact O-C 3.5Å; R106-S109 WeakPolarHBondContact O-CA 3.43Å; R106-S109 WeakPolarHBondContact O-CB 3.2Å; R106-S109 PolarHBondContact O-N 2.86Å; R106-S109 VanDerWaalsContact O-N 3.1Å; R106-S110 WeakPolarHBondContact O-CB 3.28Å; R106-S110 PolarHBondContact O-N 2.95Å
107	E	43	Very low	44.8	Very low	109 Å²	109	126 Å²	126	51%	0.509	64%	0.639	S	S	.	*	H	α-helix	trans	-62.5	-46.9	175.3	-69.8	165.1	152.7	0	0	110.6	V103 S109 S110 Y111	V103-E107 HydrophobicContact CG1-CG 4.29Å; V103-E107 WeakPolarHBondContact CG1-OE1 3.23Å; V103-E107 WeakPolarHBondContact O-CG 3.46Å; V103-E107 PolarHBondContact O-N 3.39Å; E107-S109 PolarHBondContact O-N 3.34Å; E107-S110 PolarHBondContact O-N 2.82Å; E107-Y111 PolarHBondContact O-N 2.88Å
108	K	45.9	Very low	43.7	Very low	169 Å²	169	121.6 Å²	121.6	74%	0.735	64%	0.642	S	S	*	*	H	α-helix	trans	-61.7	-26.8	171.6	-75.3	-178.9	176.3	-175.2	0	114.1	T104	T104-K108 WeakPolarHBondContact O-CB 3.47Å; T104-K108 WeakPolarHBondContact O-CG 3.29Å; T104-K108 PolarHBondContact O-N 3.02Å
109	S	43.8	Very low	42.8	Very low	88 Å²	88	128 Å²	128	62%	0.615	66%	0.658	S	S	*	*	H	α-helix	trans	-83.6	-18.3	174.4	-172.7	0	0	0	0	113.7	N105 R106 E107	N105-S109 WeakPolarHBondContact O-CB 3.21Å; N105-S109 PolarHBondContact O-N 3.33Å; N105-S109 VanDerWaalsContact O-N 3.14Å; R106-S109 CarbonylContact O-C 3.5Å; R106-S109 WeakPolarHBondContact O-CA 3.43Å; R106-S109 WeakPolarHBondContact O-CB 3.2Å; R106-S109 PolarHBondContact O-N 2.86Å; R106-S109 VanDerWaalsContact O-N 3.1Å; E107-S109 PolarHBondContact O-N 3.34Å
110	S	40.8	Very low	42.1	Very low	80 Å²	80	129.2 Å²	129.2	56%	0.559	68%	0.676	S	S	*	*	H	α-helix	trans	-98.4	-28.1	-178.2	-160.4	0	0	0	0	113	R106 E107 G112	R106-S110 WeakPolarHBondContact O-CB 3.28Å; R106-S110 PolarHBondContact O-N 2.95Å; E107-S110 PolarHBondContact O-N 2.82Å; S110-G112 PolarHBondContact O-N 3.37Å
111	Y	39.4	Very low	41.2	Very low	192 Å²	192	128.2 Å²	128.2	75%	0.753	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.6	-14.2	175	-112.6	-92.8	0	0	0	113.7	E107 N113	E107-Y111 PolarHBondContact O-N 2.88Å; Y111-N113 PolarHBondContact O-N 2.94Å
112	G	38.2	Very low	40.5	Very low	63 Å²	63	134.3 Å²	134.3	65%	0.649	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-82.7	-2.5	-176.6	0	0	0	0	0	116.5	S110	S110-G112 PolarHBondContact O-N 3.37Å
113	N	39.1	Very low	39.9	Very low	145 Å²	145	133.5 Å²	133.5	78%	0.775	71%	0.712	S	S	*	*	S	Bend	trans	-125.8	4.7	-172.4	-83.4	-51.8	0	0	0	115.2	Y111	Y111-N113 PolarHBondContact O-N 2.94Å
114	L	36.5	Very low	39.1	Very low	152 Å²	152	138 Å²	138	80%	0.796	73%	0.728	S	S	*	*	S	Bend	trans	-124.6	18.6	-176.6	-89.4	162.1	0	0	0	114.7
115	E	38.8	Very low	38.5	Very low	182 Å²	182	139 Å²	139	85%	0.85	74%	0.743	S	S	*	*			trans	-107.3	57.2	163.4	-70.3	-161.6	125.2	0	0	111.6
116	R	40.8	Very low	37.8	Very low	216 Å²	216	141.8 Å²	141.8	82%	0.815	76%	0.757	S	S	*	*	S	Bend	trans	-145	124.6	161.3	-154.6	-178.9	-61.8	174.6	3.5	107.2
117	N	38.2	Very low	37.5	Very low	162 Å²	162	138.2 Å²	138.2	87%	0.866	76%	0.757	S	S	*	*	S	Bend	trans	85.1	61.8	-173.2	-49.1	-15.7	0	0	0	116.8
118	G	34.5	Very low	37.2	Very low	76 Å²	76	139.8 Å²	139.8	78%	0.784	77%	0.769	S	S	*	*				47.2	118.1	120.3	0	0	0	0	0	123
119	R	32.9	Very low	36.8	Very low	246 Å²	246	140.1 Å²	140.1	93%	0.928	77%	0.773	S	S	*	*				91.5	132	123.1	-160	178.9	-164.7	155.9	4.7	119.1
120	A	36.1	Very low	36.4	Very low	104 Å²	104	140 Å²	140	86%	0.86	78%	0.777	S	S	*	*			trans	64.6	141.3	173	0	0	0	0	0	115.7
121	G	32.7	Very low	35.8	Very low	65 Å²	65	143.9 Å²	143.9	67%	0.67	78%	0.784	S	S	*	*			cis	157.4	130.7	-3.5	0	0	0	0	0	110.3
122	E	34.6	Very low	35.6	Very low	187 Å²	187	140.3 Å²	140.3	87%	0.874	78%	0.784	S	S	*	*			trans	39.8	121.6	156.4	-48.2	179.3	132	0	0	118.3
123	T	35.1	Very low	35.4	Very low	126 Å²	126	143.4 Å²	143.4	77%	0.773	79%	0.786	S	S	*	*				-176	151.2	74.3	26.1	0	0	0	0	113.8
124	Q	33.8	Very low	35.2	Very low	170 Å²	170	146.3 Å²	146.3	79%	0.794	79%	0.792	S	S	*	*			trans	51	144.3	145.5	-113.8	63.4	-5.9	0	0	125.7
125	A	36.2	Very low	34.8	Very low	82 Å²	82	144.4 Å²	144.4	68%	0.678	79%	0.791	S	S	*	*			trans	78.3	145.5	142.1	0	0	0	0	0	119
126	L	31.4	Very low	34.5	Very low	161 Å²	161	141.2 Å²	141.2	84%	0.843	79%	0.789	S	S	*	*			cis	-163	-175	-15.4	-118.2	171.5	0	0	0	110
127	V	36	Very low	34	Very low	128 Å²	128	137 Å²	137	78%	0.776	79%	0.787	S	S	*	*			trans	80.5	122.8	165.2	-167	0	0	0	0	117.6
128	N	37.1	Very low	33.7	Very low	142 Å²	142	136.9 Å²	136.9	76%	0.759	79%	0.785	S	S	*	*			trans	-123.5	136.6	166.5	-96.1	-31.7	0	0	0	108.9
129	H	36.3	Very low	33.5	Very low	176 Å²	176	140.1 Å²	140.1	82%	0.815	78%	0.784	S	S	*	*			trans	62.6	145.6	157.1	-68.9	-55.9	0	0	0	119.4
130	A	35.2	Very low	33.5	Very low	84 Å²	84	136.7 Å²	136.7	69%	0.694	78%	0.776	S	S	*	*			cis	-160.7	169	-6.6	0	0	0	0	0	113.1
131	K	29.5	Very low	33.4	Very low	163 Å²	163	139.6 Å²	139.6	71%	0.709	77%	0.772	S	S	*	*			trans	70.8	127.4	166.9	-83	-164.2	160.5	-140.8	0	119.4	D133	K131-D133 IonicContact NZ-OD1 3.82Å; K131-D133 IonicContact NZ-OD2 2.71Å; K131-D133 PolarHBondContact NZ-OD2 3.04Å
132	P	33.8	Very low	33.5	Very low	116 Å²	116	141.3 Å²	141.3	75%	0.753	77%	0.774	S	S	*	*				-117.6	165.1	118.6	36.8	-33.6	0	0	0	111.9
133	D	35.6	Very low	33.6	Very low	129 Å²	129	137 Å²	137	69%	0.69	76%	0.764	S	S	*	*			trans	-106.8	158.8	167.6	-88.7	-65.9	0	0	0	110.6	K131	K131-D133 IonicContact NZ-OD1 3.82Å; K131-D133 IonicContact NZ-OD2 2.71Å; K131-D133 PolarHBondContact NZ-OD2 3.04Å
134	F	33.3	Very low	33.5	Very low	205 Å²	205	137.7 Å²	137.7	90%	0.899	77%	0.768	S	S	*	*			trans	-91.2	139.4	-165.7	-90.2	-102.5	0	0	0	114.8
135	S	29.6	Very low	33.5	Very low	113 Å²	113	132.8 Å²	132.8	79%	0.79	76%	0.763	S	S	*	*			trans	-113.2	157.2	151.5	60.8	0	0	0	0	109.6
136	S	32.7	Very low	33.2	Very low	115 Å²	115	140.1 Å²	140.1	80%	0.804	77%	0.773	S	S	*	*			trans	-136.6	115.3	-178.6	61.2	0	0	0	0	112.4
137	V	28.5	Very low	33.2	Very low	127 Å²	127	140.9 Å²	140.9	77%	0.77	77%	0.772	S	S	*	*			trans	-110.3	153.7	164.9	177.7	0	0	0	0	107.7
138	I	33.7	Very low	33.1	Very low	159 Å²	159	140.4 Å²	140.4	82%	0.815	77%	0.772	S	S	*	*			trans	-128.3	121.5	173	-58.5	173.8	0	0	0	108.6
139	D	30	Very low	32.7	Very low	145 Å²	145	139 Å²	139	78%	0.775	77%	0.773	S	S	*	*			trans	-134.7	159.1	169.6	-96.8	-46.4	0	0	0	108.7
140	F	32.7	Very low	32.4	Very low	173 Å²	173	135.2 Å²	135.2	76%	0.759	77%	0.767	S	S	*	*			trans	-150.8	111.7	173.9	-124.9	-89.2	0	0	0	113.6
141	E	34.2	Very low	32	Very low	166 Å²	166	140.3 Å²	140.3	78%	0.776	78%	0.776	S	S	*	*			trans	45.9	141.5	145	-63.5	-174.2	160.7	0	0	121.5
142	S	34.9	Very low	32.2	Very low	101 Å²	101	138.3 Å²	138.3	71%	0.706	78%	0.78	S	S	*	*			cis	-166.8	-162.3	-7.9	59.6	0	0	0	0	108.1
143	S	36.2	Very low	31.7	Very low	96 Å²	96	139.5 Å²	139.5	67%	0.671	79%	0.789	S	S	*	*			cis	-164.4	166.5	17.5	-120.6	0	0	0	0	113.8
144	V	33.2	Very low	31.2	Very low	141 Å²	141	138.7 Å²	138.7	86%	0.855	79%	0.793	S	S	*	*			trans	16.5	130.3	150	-170	0	0	0	0	120.2
145	G	32.5	Very low	31	Very low	66 Å²	66	133.7 Å²	133.7	68%	0.68	78%	0.784	S	S	*	*			cis	146.7	166	-8.9	0	0	0	0	0	115.4
146	R	30.1	Very low	31	Very low	237 Å²	237	135.1 Å²	135.1	89%	0.894	78%	0.783	S	S	*	*			trans	60.1	149.5	159.1	-88.6	-175.8	-170.7	159.8	4.1	119.3
147	E	32.6	Very low	30.8	Very low	176 Å²	176	136.2 Å²	136.2	82%	0.822	78%	0.775	S	S	*	*			cis	-135	173.7	13.7	-72.6	-161.9	133.1	0	0	114.2
148	P	34.2	Very low	30.7	Very low	119 Å²	119	136.7 Å²	136.7	77%	0.773	78%	0.778	S	S	*	*			trans	-125.5	165.1	-175	42.2	-29.4	0	0	0	116.7
149	S	28.1	Very low	30.3	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	77%	0.774	S	S	*	*			trans	-171.2	145.6	144.5	52.9	0	0	0	0	117.4
150	S	29.4	Very low	30.2	Very low	98 Å²	98	135.6 Å²	135.6	69%	0.685	77%	0.773	S	S	*	*			trans	55.5	116	143	58.4	0	0	0	0	125
151	E	28.1	Very low	29.9	Very low	191 Å²	191	135.6 Å²	135.6	89%	0.893	78%	0.778	S	S	*	*				104.3	133.9	124.6	-78.1	-179.4	-176.2	0	0	123
152	P	32.1	Very low	29.5	Very low	121 Å²	121	135.5 Å²	135.5	79%	0.786	78%	0.777	S	S	*	*			trans	-113.8	166	-179.5	42.9	-34.5	0	0	0	115.4
153	C	23	Very low	29.2	Very low	140 Å²	140	138.8 Å²	138.8	95%	0.946	79%	0.786	S	S	*	*			trans	-155.3	175.3	157	-114.5	0	0	0	0	113.2
154	S	26.2	Very low	28.7	Very low	112 Å²	112	139.6 Å²	139.6	78%	0.783	79%	0.787	S	S	*	*			trans	-118.2	-168.2	-162.5	-166.1	0	0	0	0	114
155	S	28.5	Very low	28.6	Very low	100 Å²	100	138.6 Å²	138.6	70%	0.699	79%	0.786	S	S	*	*			trans	76.3	144.8	169.4	69.4	0	0	0	0	117.7
156	D	30.6	Very low	28.5	Very low	143 Å²	143	143 Å²	143	77%	0.765	79%	0.794	S	S	*	*			cis	-155.6	164.2	-1.7	-121.4	4.1	0	0	0	116.8
157	H	27.5	Very low	28.6	Very low	138 Å²	138	137.6 Å²	137.6	64%	0.639	79%	0.793	S	S	*	*			trans	-10.9	153	164.2	-77.1	-87.9	0	0	0	122.7
158	T	27.7	Very low	28.4	Very low	138 Å²	138	135.1 Å²	135.1	85%	0.847	79%	0.79	S	S	*	*				-158.9	150.6	96.1	-66.6	0	0	0	0	112.8
159	Q	25.6	Very low	28.4	Very low	155 Å²	155	137.2 Å²	137.2	72%	0.724	79%	0.793	S	S	*	*			trans	-121.5	-159.4	-175.9	-63.2	-176.5	-19.3	0	0	112.9
160	V	26.3	Very low	28.5	Very low	125 Å²	125	138 Å²	138	76%	0.758	79%	0.788	S	S	*	*			trans	103.5	132.4	166	179.8	0	0	0	0	113.9
161	M	26.5	Very low	28.7	Very low	173 Å²	173	139.6 Å²	139.6	85%	0.852	79%	0.789	S	S	*	*			cis	-138.8	163.5	9.6	-154.3	169.2	-86.4	0	0	113.2
162	Q	25.5	Very low	28.8	Very low	164 Å²	164	136.8 Å²	136.8	77%	0.766	78%	0.78	S	S	*	*			trans	-94.5	172.5	169.1	-57.9	170.7	-84.2	0	0	112.4
163	L	28.6	Very low	28.6	Very low	171 Å²	171	136.8 Å²	136.8	90%	0.895	78%	0.778	S	S	*	*				-158.3	153.2	128.3	-109.4	170.8	0	0	0	111.5
164	T	26.5	Very low	29	Very low	113 Å²	113	137.7 Å²	137.7	69%	0.693	77%	0.771	S	S	*	*			trans	-141.6	160.3	-173.6	53.5	0	0	0	0	111.8
165	S	31	Very low	29	Very low	119 Å²	119	138.7 Å²	138.7	83%	0.832	77%	0.767	S	S	*	*			trans	-155.1	150.8	157.9	57.5	0	0	0	0	111.7
166	N	29.9	Very low	28.9	Very low	159 Å²	159	137.9 Å²	137.9	85%	0.85	76%	0.761	S	S	*	*			trans	-106.4	158.6	-176.1	-63.6	-31.8	0	0	0	111.5
167	S	32.3	Very low	28.8	Very low	123 Å²	123	142.2 Å²	142.2	86%	0.86	77%	0.767	S	S	*	*				-161.6	150.8	127	45	0	0	0	0	111.7
168	T	29	Very low	28.8	Very low	124 Å²	124	146.4 Å²	146.4	76%	0.761	78%	0.777	S	S	*	*			trans	-105.3	160.8	-179.2	47.1	0	0	0	0	111.1
169	I	33.1	Very low	29.1	Very low	163 Å²	163	149.3 Å²	149.3	84%	0.836	78%	0.781	S	S	*	*				-179.9	164.2	128.8	-92.8	153.9	0	0	0	110.1
170	N	31.6	Very low	29.3	Very low	128 Å²	128	145 Å²	145	68%	0.684	78%	0.777	S	S	*	*			trans	-97	-169.8	-155.2	-46.3	-20	0	0	0	115.6
171	D	32.6	Very low	29.4	Very low	131 Å²	131	147.3 Å²	147.3	70%	0.701	79%	0.785	S	S	*	*			trans	95.3	108.5	143.5	-57.8	-22	0	0	0	120.9
172	D	31.2	Very low	29.6	Very low	133 Å²	133	145 Å²	145	71%	0.711	78%	0.78	S	S	*	*				71.9	106.1	121	-70.3	0.7	0	0	0	125.6
173	T	27.9	Very low	29.7	Very low	120 Å²	120	143 Å²	143	74%	0.736	78%	0.779	S	S	*	*				82.8	148.5	121.7	68.3	0	0	0	0	124
174	M	30.2	Very low	29.8	Very low	160 Å²	160	140.1 Å²	140.1	79%	0.788	76%	0.764	S	S	*	*			trans	60	98.2	147.1	-60.1	-111.4	81.2	0	0	121.7
175	D	26.4	Very low	30.2	Very low	133 Å²	133	141.6 Å²	141.6	71%	0.711	76%	0.761	S	S	*	*				52.1	137.2	111.4	-164.6	26.4	0	0	0	123.4
176	S	26.1	Very low	30.2	Very low	83 Å²	83	144.5 Å²	144.5	58%	0.58	76%	0.762	S	S	*	*			trans	67.2	110.6	149.1	-83.9	0	0	0	0	122.9
177	R	29.6	Very low	30.3	Very low	234 Å²	234	141 Å²	141	88%	0.883	76%	0.763	S	S	*	*				-169.9	120.2	122	-90.4	136.5	-149.2	-136.8	7	109.4
178	R	27.8	Very low	30.2	Very low	225 Å²	225	145.9 Å²	145.9	85%	0.849	76%	0.762	S	S	*	*				66.3	116.3	79.9	-74.8	-169.6	179.2	-161.5	1.4	115.3
179	H	33.9	Very low	30.2	Very low	200 Å²	200	147.2 Å²	147.2	93%	0.926	76%	0.76	S	S	*	*				173.9	139.5	128.8	-78.1	121.1	0	0	0	107.5
180	G	29	Very low	30	Very low	63 Å²	63	144.3 Å²	144.3	65%	0.649	75%	0.754	S	S	*	*			cis	153.9	143	-10.3	0	0	0	0	0	111.9
181	L	29.3	Very low	29.9	Very low	175 Å²	175	145.2 Å²	145.2	92%	0.916	75%	0.754	S	S	*	*			trans	76.9	144.7	171	-52.8	166.5	0	0	0	116.6
182	V	30.4	Very low	29.8	Very low	125 Å²	125	148.2 Å²	148.2	76%	0.758	76%	0.756	S	S	*	*			cis	-158.3	166.1	-22	109.1	0	0	0	0	111.9
183	V	27.5	Very low	29.8	Very low	120 Å²	120	151.5 Å²	151.5	73%	0.727	76%	0.764	S	S	*	*			trans	-57.6	169.7	173	-118.1	0	0	0	0	113.6
184	D	31.3	Very low	29.9	Very low	112 Å²	112	150.7 Å²	150.7	60%	0.599	77%	0.769	S	S	*	*			cis	-163.2	171	22.3	-150.9	-4.2	0	0	0	114.9
185	K	33.7	Very low	29.8	Very low	144 Å²	144	149.4 Å²	149.4	63%	0.626	77%	0.771	S	S	*	*			trans	55.1	123.6	150.4	-85.3	173.5	-170.1	79.8	0	124.7
186	E	31.5	Very low	30.3	Very low	180 Å²	180	148 Å²	148	84%	0.841	77%	0.769	S	S	*	*				47.5	115	126.1	-61.9	175.5	167.2	0	0	120.8
187	G	31.2	Very low	30.6	Very low	85 Å²	85	150.8 Å²	150.8	88%	0.876	78%	0.783	S	S	*	*			trans	-163.8	121.4	169.8	0	0	0	0	0	114
188	R	29.9	Very low	30.7	Very low	225 Å²	225	143.6 Å²	143.6	85%	0.849	78%	0.781	S	S	*	*			trans	-87	135	-170.5	-146.2	-172.4	-173.5	131.5	-0.5	112.8
189	Q	29	Very low	30.5	Very low	153 Å²	153	139 Å²	139	72%	0.715	78%	0.782	S	S	*	*			trans	65	142.1	145.7	-80.7	172.9	-66.3	0	0	123.4
190	S	29.6	Very low	30.6	Very low	102 Å²	102	134.4 Å²	134.4	71%	0.713	77%	0.77	S	S	*	*			trans	74.8	111.4	141	65.1	0	0	0	0	123
191	E	29.8	Very low	30.7	Very low	146 Å²	146	138 Å²	138	68%	0.682	77%	0.773	S	S	*	*				88.6	130.2	118.8	-75.8	-164	168.3	0	0	124
192	R	30.7	Very low	30.8	Very low	194 Å²	194	137.7 Å²	137.7	73%	0.732	76%	0.764	S	S	*	*			trans	81.7	109.2	145.9	-67.8	168.8	-148.9	-111	-5.2	121.7
193	F	30.1	Very low	30.6	Very low	203 Å²	203	139 Å²	139	89%	0.89	76%	0.762	S	S	*	*				39.4	120.3	126.6	-69.6	-89.3	0	0	0	120.6
194	A	31.4	Very low	30.8	Very low	102 Å²	102	139.1 Å²	139.1	84%	0.843	77%	0.769	S	S	*	*				173	146.3	103.9	0	0	0	0	0	113.8
195	T	28.2	Very low	30.6	Very low	133 Å²	133	143.5 Å²	143.5	82%	0.816	78%	0.783	S	S	*	*			trans	-87.6	175.1	164	42.5	0	0	0	0	109.4
196	P	36.6	Very low	30.5	Very low	105 Å²	105	145.9 Å²	145.9	68%	0.682	80%	0.796	S	S	*	*			cis	-158.1	176.3	37.8	43.7	-19.7	0	0	0	121.9
197	T	31.2	Very low	30.4	Very low	141 Å²	141	148.4 Å²	148.4	87%	0.865	80%	0.798	S	S	*	*			trans	56	122.6	147.7	47.7	0	0	0	0	122.5
198	G	32	Very low	30.4	Very low	83 Å²	83	149.5 Å²	149.5	86%	0.856	79%	0.79	S	S	*	*			trans	-172.2	134.7	159.5	0	0	0	0	0	112.1
199	C	24.6	Very low	30.7	Very low	127 Å²	127	144.9 Å²	144.9	86%	0.858	79%	0.788	S	S	*	*			trans	-130.5	-179.3	-176.7	-119.2	0	0	0	0	108.9
200	P	35.1	Very low	30.8	Very low	105 Å²	105	143.6 Å²	143.6	68%	0.682	79%	0.791	S	S	*	*			cis	-138.1	-155.7	-13.8	24.7	2.4	0	0	0	113
201	I	31.3	Very low	30.8	Very low	139 Å²	139	144.9 Å²	144.9	71%	0.713	80%	0.797	S	S	*	*			trans	110.5	109.1	145.7	-63.2	173.6	0	0	0	119.9
202	K	31.5	Very low	30.7	Very low	168 Å²	168	145.5 Å²	145.5	73%	0.73	80%	0.803	S	S	*	*			trans	69	159.8	144.7	-74.4	-172.8	172.5	-128.5	0	122.6
203	E	27.2	Very low	30.5	Very low	152 Å²	152	140.9 Å²	140.9	71%	0.71	81%	0.807	S	S	*	*			cis	-174.5	129.1	-32.9	-116.2	173.6	173.4	0	0	109
204	S	30.4	Very low	30.3	Very low	123 Å²	123	136.3 Å²	136.3	86%	0.86	80%	0.795	S	S	*	*			trans	-168.1	138.6	156.6	55.9	0	0	0	0	112.3
205	F	27.3	Very low	30	Very low	204 Å²	204	137.6 Å²	137.6	90%	0.895	79%	0.793	S	S	*	*			trans	-105.2	143	-178.8	-101.3	-101.7	0	0	0	112.3
206	E	31.2	Very low	30	Very low	193 Å²	193	141 Å²	141	90%	0.902	79%	0.792	S	S	*	*			trans	-129.7	164.8	148.6	-84.9	-164.6	147.5	0	0	110.8
207	R	29.5	Very low	29.8	Very low	233 Å²	233	144.1 Å²	144.1	88%	0.879	80%	0.797	S	S	*	*			trans	-127.2	131.7	-150.7	-168.3	-169.6	-60.1	173.6	2	112.6
208	P	32.5	Very low	29.7	Very low	109 Å²	109	145 Å²	145	71%	0.708	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-75	151.9	174	31.6	-34.9	0	0	0	112.2
209	P	35.5	Very low	29.8	Very low	127 Å²	127	148.7 Å²	148.7	83%	0.825	80%	0.797	S	S	*	*	P	Polyproline II helix	trans	-78.7	149.3	-178.9	31.7	-35.2	0	0	0	113.4
210	T	30.5	Very low	30.1	Very low	127 Å²	127	147.9 Å²	147.9	78%	0.779	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-84.1	146.7	177.2	45.2	0	0	0	0	113
211	P	30.7	Very low	30.1	Very low	128 Å²	128	151.5 Å²	151.5	83%	0.831	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-72.9	148.2	172.8	31.1	-34.6	0	0	0	112.3
212	I	27.8	Very low	30.1	Very low	159 Å²	159	152.6 Å²	152.6	82%	0.815	81%	0.807	S	S	*	*	P	Polyproline II helix	trans	-88.3	134.7	179.1	-64.3	169.2	0	0	0	109.8
213	A	25.4	Very low	30.1	Very low	98 Å²	98	148.4 Å²	148.4	81%	0.81	81%	0.811	S	S	*	*	P	Polyproline II helix	trans	-91.9	142	171.7	0	0	0	0	0	111.1
214	V	26.2	Very low	30.3	Very low	106 Å²	106	149.6 Å²	149.6	64%	0.642	82%	0.817	S	S	*	*			trans	-128.2	118.7	173.5	-176.4	0	0	0	0	109.2	Y216	V214-Y216 HydrophobicContact CG1-CD2 4.15Å; V214-Y216 HydrophobicContact CG1-CE2 3.56Å
215	T	25.1	Very low	30.1	Very low	129 Å²	129	151.5 Å²	151.5	79%	0.791	81%	0.812	S	S	*	*			trans	-96.1	142.5	172	33.6	0	0	0	0	110.7
216	Y	29.3	Very low	30.3	Very low	205 Å²	205	151 Å²	151	80%	0.804	81%	0.813	S	S	*	*			trans	-122.2	133.1	167.5	-74.7	-79.9	0	0	0	109.2	V214	V214-Y216 HydrophobicContact CG1-CD2 4.15Å; V214-Y216 HydrophobicContact CG1-CE2 3.56Å
217	H	30.8	Very low	30	Very low	170 Å²	170	153 Å²	153	79%	0.787	81%	0.812	S	S	*	*			trans	-81.3	143.7	170.8	-85.3	-112.2	0	0	0	110.3
218	N	29.5	Very low	30.1	Very low	160 Å²	160	147.2 Å²	147.2	86%	0.856	81%	0.805	S	S	*	*			trans	-101.9	128.5	160.2	-84.6	-12.8	0	0	0	107.9
219	D	34.1	Very low	29.9	Very low	160 Å²	160	150.4 Å²	150.4	86%	0.856	81%	0.812	S	S	*	*			trans	-121.1	146	154.5	-76.9	-57.1	0	0	0	108.2
220	S	31.2	Very low	29.4	Very low	111 Å²	111	149.8 Å²	149.8	78%	0.776	81%	0.806	S	S	*	*			trans	-131.5	148.7	-175.1	58	0	0	0	0	109.3
221	E	34.6	Very low	29.1	Very low	181 Å²	181	154.2 Å²	154.2	85%	0.846	81%	0.808	S	S	*	*			trans	-168.4	176.4	135.6	-107.9	-176.1	-179.4	0	0	114.5
222	L	32.7	Very low	28.8	Very low	161 Å²	161	155.8 Å²	155.8	84%	0.843	81%	0.805	S	S	*	*			trans	-47.5	157.8	-165.5	-78.5	58.3	0	0	0	119.4
223	G	31.5	Very low	28.6	Very low	80 Å²	80	156.2 Å²	156.2	83%	0.825	81%	0.807	S	S	*	*			trans	179.9	120.3	159.9	0	0	0	0	0	113.7
224	Q	30.5	Very low	28.4	Very low	178 Å²	178	161 Å²	161	83%	0.832	81%	0.81	S	S	*	*			trans	-83	149.9	-167.1	-74.8	173.2	-96.6	0	0	117.1
225	E	27.2	Very low	28.4	Very low	162 Å²	162	161.9 Å²	161.9	76%	0.757	82%	0.815	S	S	*	*			trans	22.3	125.3	143.2	-58.1	178.9	101.6	0	0	121.7
226	Q	30.4	Very low	28.3	Very low	193 Å²	193	163.9 Å²	163.9	90%	0.902	82%	0.816	S	S	*	*				-167.3	170.7	100.8	-99.3	177.5	28.4	0	0	112.3
227	R	25.5	Very low	28	Very low	235 Å²	235	160.9 Å²	160.9	89%	0.887	81%	0.809	S	S	*	*			trans	-137.5	173.3	-174.8	-73.2	-172.7	178.3	-179.8	1.6	110
228	P	32.3	Very low	27.7	Very low	112 Å²	112	160 Å²	160	73%	0.727	80%	0.803	S	S	*	*				-138.7	168.5	-52.1	40.2	-25.1	0	0	0	112.9
229	M	27.3	Very low	27.4	Very low	176 Å²	176	162 Å²	162	87%	0.867	80%	0.804	S	S	*	*			trans	-174.7	114.8	136.6	-109.4	171.5	60.3	0	0	115.2
230	V	24.2	Very low	26.8	Very low	115 Å²	115	159.2 Å²	159.2	70%	0.697	80%	0.803	S	S	*	*				21	123.7	126.7	-171.2	0	0	0	0	116.2
231	R	25.1	Very low	26.3	Very low	219 Å²	219	162.5 Å²	162.5	83%	0.826	81%	0.806	S	S	*	*				-162.9	124.9	52.5	-146.6	159.8	-145.9	-160.7	4.7	115.2
232	H	24.7	Very low	25.7	Very low	162 Å²	162	161.1 Å²	161.1	75%	0.75	80%	0.804	S	S	*	*			trans	70.9	136.2	144.3	-76.7	48.5	0	0	0	123.4
233	L	22.6	Very low	25.2	Very low	167 Å²	167	158.5 Å²	158.5	87%	0.874	79%	0.794	S	S	*	*			trans	67.9	97.6	153.5	-65.9	166	0	0	0	119.9
234	K	22.6	Very low	24.9	Very low	198 Å²	198	164 Å²	164	86%	0.861	79%	0.792	S	S	*	*			trans	-151.3	133	154.7	-101.5	-161.4	174.5	-173.3	0	112.2
235	V	25.3	Very low	24.6	Very low	125 Å²	125	165.9 Å²	165.9	76%	0.758	79%	0.793	S	S	*	*			trans	67	160.4	137.4	-175.9	0	0	0	0	118.7
236	E	22.6	Very low	24.4	Very low	172 Å²	172	163.8 Å²	163.8	80%	0.804	79%	0.791	S	S	*	*			trans	-85.1	-169.9	-162.7	-55.6	155.1	101.1	0	0	115.3
237	E	24.3	Very low	24.2	Very low	141 Å²	141	160.6 Å²	160.6	66%	0.659	79%	0.787	S	S	*	*			trans	99.8	120.6	158.1	-60.6	-134.5	123.1	0	0	120.6
238	K	23.9	Very low	24.3	Very low	151 Å²	151	154.8 Å²	154.8	66%	0.657	78%	0.782	S	S	*	*			trans	55.5	97.6	135.8	-61.1	169.5	-175.3	148.9	0	119.1
239	K	23.8	Very low	24.1	Very low	204 Å²	204	156.1 Å²	156.1	89%	0.887	79%	0.788	S	S	*	*				168.5	153.3	108.4	-89.2	153.7	-172.5	175.1	0	112.2
240	A	20.2	Very low	24.2	Very low	101 Å²	101	150.7 Å²	150.7	84%	0.835	78%	0.777	S	S	*	*			trans	-75.9	142	174.8	0	0	0	0	0	111.9
241	Q	22.1	Very low	24.5	Very low	179 Å²	179	155 Å²	155	84%	0.836	79%	0.786	S	S	*	*			trans	-137.3	132	161.8	-75.2	-164.9	-18.3	0	0	110.8
242	L	21.1	Very low	24.8	Very low	152 Å²	152	153.8 Å²	153.8	80%	0.796	79%	0.788	S	S	*	*			trans	-81.1	124.2	174	-148.5	78.1	0	0	0	108.7	Y244	L242-Y244 HydrophobicContact CD2-CE2 4.09Å
243	V	22.8	Very low	25.3	Very low	106 Å²	106	151.8 Å²	151.8	64%	0.642	79%	0.789	S	S	*	*			trans	-118.4	111.7	-179.6	-178.9	0	0	0	0	110.4
244	Y	23.5	Very low	25.6	Very low	197 Å²	197	151.8 Å²	151.8	77%	0.773	79%	0.789	S	S	*	*	P	Polyproline II helix	trans	-77.3	127.3	170.3	-71.8	-94.2	0	0	0	110.2	L242	L242-Y244 HydrophobicContact CD2-CE2 4.09Å
245	Y	24.3	Very low	26	Very low	217 Å²	217	154.2 Å²	154.2	85%	0.851	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-85.9	122.4	169.8	-87.8	-93.1	0	0	0	111.2
246	T	24.8	Very low	26.2	Very low	118 Å²	118	154.3 Å²	154.3	72%	0.724	80%	0.796	S	S	*	*	P	Polyproline II helix	trans	-93.8	138.3	166.6	47.2	0	0	0	0	110.2	S248	T246-S248 PolarHBondContact O-N 2.77Å
247	P	25.5	Very low	26.5	Very low	125 Å²	125	149 Å²	149	81%	0.812	79%	0.788	S	S	*	*			trans	-67.2	112.7	168.9	-18.3	31.8	0	0	0	109.8	V249	P247-V249 PolarHBondContact O-N 3.07Å
248	S	27.4	Very low	26.7	Very low	113 Å²	113	149.2 Å²	149.2	79%	0.79	79%	0.793	S	S	*	*			trans	-79.1	108.2	178.6	45.4	0	0	0	0	110.9	T246 G250	T246-S248 PolarHBondContact O-N 2.77Å; S248-G250 VanDerWaalsContact C-N 3.35Å; S248-G250 PolarHBondContact O-N 3.42Å
249	V	28.5	Very low	27.1	Very low	141 Å²	141	151.1 Å²	151.1	86%	0.855	80%	0.801	S	S	*	*			trans	-70.9	93.2	169.8	-176.1	0	0	0	0	108.7	P247 K251	P247-V249 PolarHBondContact O-N 3.07Å; V249-K251 PolarHBondContact O-N 3.46Å
250	G	29.5	Very low	27.4	Very low	61 Å²	61	146.8 Å²	146.8	63%	0.629	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-63.5	124.1	-179.5	0	0	0	0	0	112.1	S248	S248-G250 VanDerWaalsContact C-N 3.35Å; S248-G250 PolarHBondContact O-N 3.42Å
251	K	30.5	Very low	27.8	Very low	206 Å²	206	150.5 Å²	150.5	90%	0.896	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-73.2	124.8	176.8	-63.7	175.8	180	176.9	0	110.3	V249	V249-K251 PolarHBondContact O-N 3.46Å
252	F	31.8	Very low	28.2	Very low	194 Å²	194	148.5 Å²	148.5	85%	0.851	79%	0.794	S	S	*	*	P	Polyproline II helix	trans	-78.3	149.4	161.1	-86.5	-93.2	0	0	0	110.8
253	P	34	Very low	28.5	Very low	119 Å²	119	150.9 Å²	150.9	77%	0.773	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-75	149.4	-179.6	-10.6	27.4	0	0	0	112.4
254	L	28.3	Very low	28.7	Very low	167 Å²	167	149.7 Å²	149.7	87%	0.874	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-76.3	140.2	175.4	-69.2	127.1	0	0	0	111.9
255	W	30.9	Very low	28.9	Very low	250 Å²	250	146.8 Å²	146.8	95%	0.947	80%	0.802	S	S	*	*			trans	-122.7	124.7	152.6	-97.4	62.6	0	0	0	108.3
256	P	30.4	Very low	28.9	Very low	126 Å²	126	142.1 Å²	142.1	82%	0.818	80%	0.801	S	S	*	*			trans	-93	130.5	-175.9	34.1	-32	0	0	0	112.3
257	G	29	Very low	29.3	Very low	62 Å²	62	141.7 Å²	141.7	64%	0.639	80%	0.801	S	S	*	*			trans	176.3	118.4	170.3	0	0	0	0	0	114.3
258	L	29.3	Very low	29.5	Very low	145 Å²	145	142.4 Å²	142.4	76%	0.759	80%	0.798	S	S	*	*			trans	41.6	111.5	159.1	-63.9	78.8	0	0	0	118.1
259	F	32.4	Very low	29.5	Very low	190 Å²	190	143.2 Å²	143.2	83%	0.833	79%	0.792	S	S	*	*				-177.7	159.8	94.4	-90.9	-66.1	0	0	0	109.8
260	P	30.1	Very low	29.4	Very low	113 Å²	113	143.1 Å²	143.1	73%	0.734	79%	0.792	S	S	*	*			trans	-83.1	166.4	-162.8	33.2	-37	0	0	0	114.8
261	Q	27.2	Very low	29.3	Very low	180 Å²	180	146.2 Å²	146.2	84%	0.841	79%	0.792	S	S	*	*			trans	-66	137.4	-174.8	-61.3	-174.5	9	0	0	114.1
262	T	31.2	Very low	29.3	Very low	137 Å²	137	140.5 Å²	140.5	84%	0.84	77%	0.774	S	S	*	*			trans	-123.7	127.6	154	44.1	0	0	0	0	109.5
263	K	26.5	Very low	29.1	Very low	201 Å²	201	137 Å²	137	87%	0.874	76%	0.764	S	S	*	*			trans	-89.3	110.6	171.3	-76.3	179.1	174.7	177.7	0	109.2
264	A	26.8	Very low	28.8	Very low	82 Å²	82	134.6 Å²	134.6	68%	0.678	75%	0.753	S	S	*	*			trans	-155.8	131.9	163.7	0	0	0	0	0	112.4
265	T	28.4	Very low	29	Very low	135 Å²	135	130.9 Å²	130.9	83%	0.828	73%	0.732	S	S	*	*			trans	29.5	114.6	147.3	54.8	0	0	0	0	120.4
266	S	25.5	Very low	28.9	Very low	119 Å²	119	125.8 Å²	125.8	83%	0.832	72%	0.716	S	S	*	*			trans	-74.4	141.7	152.6	-173.6	0	0	0	0	110.5
267	P	32.2	Very low	28.8	Very low	110 Å²	110	126.6 Å²	126.6	71%	0.714	71%	0.713	S	S	*	*			trans	-108.1	154.5	163.1	35.6	-26.9	0	0	0	113.3
268	D	29.4	Very low	28.8	Very low	139 Å²	139	131 Å²	131	74%	0.743	72%	0.721	S	S	*	*			trans	-49.2	147.7	-178.1	-59.8	-81.3	0	0	0	116.1
269	I	28.1	Very low	28.7	Very low	130 Å²	130	131 Å²	131	67%	0.667	72%	0.722	S	S	*	*			cis	74.6	110.9	48.1	-57.6	167.9	0	0	0	114.1
270	T	26.3	Very low	28.5	Very low	140 Å²	140	126.4 Å²	126.4	86%	0.859	71%	0.712	S	S	*	*			trans	-139.1	40.4	158	45.5	0	0	0	0	112.5
271	M	26.8	Very low	28.3	Very low	126 Å²	126	127.1 Å²	127.1	62%	0.621	71%	0.71	S	S	*	*			trans	-63.2	142.8	167.7	-74.4	177	75.8	0	0	111	E275	M271-E275 HydrophobicContact CE-CB 4.06Å; M271-E275 HydrophobicContact CE-CG 4.35Å; M271-E275 WeakPolarHBondContact CE-OE1 3.32Å
272	T	30.4	Very low	28.4	Very low	86 Å²	86	122.3 Å²	122.3	53%	0.528	70%	0.696	S	S	.	*			trans	-89.3	163.1	-163.4	66.7	0	0	0	0	113.2	A274 E275	T272-A274 PolarHBondContact O-N 2.57Å; T272-E275 PolarHBondContact N-OE2 3.21Å; T272-E275 PolarHBondContact O-N 2.74Å; T272-E275 PolarHBondContact OG1-OE2 2.84Å; T272-E275 VanDerWaalsContact OG1-OE2 3.04Å
273	L	27.2	Very low	28.3	Very low	121 Å²	121	121.4 Å²	121.4	63%	0.634	68%	0.678	S	S	*	*	H	α-helix	trans	-60.8	-22.2	-171.2	-170	61.6	0	0	0	114.4
274	A	28.8	Very low	28.3	Very low	67 Å²	67	120.6 Å²	120.6	55%	0.554	68%	0.677	S	S	*	*	H	α-helix	trans	-68.8	-36.1	175.4	0	0	0	0	0	112.6	T272 K276 L277	T272-A274 PolarHBondContact O-N 2.57Å; A274-K276 VanDerWaalsContact C-N 3.31Å; A274-K276 PolarHBondContact O-N 3.16Å; A274-L277 PolarHBondContact O-N 3.41Å
275	E	32.7	Very low	28.5	Very low	90 Å²	90	123.5 Å²	123.5	42%	0.421	68%	0.677	S	S	.	*	H	α-helix	trans	-74.5	-25.2	-176.2	-62.2	165.2	103.5	0	0	111.6	M271 T272 L277	M271-E275 HydrophobicContact CE-CB 4.06Å; M271-E275 HydrophobicContact CE-CG 4.35Å; M271-E275 WeakPolarHBondContact CE-OE1 3.32Å; T272-E275 PolarHBondContact N-OE2 3.21Å; T272-E275 PolarHBondContact O-N 2.74Å; T272-E275 PolarHBondContact OG1-OE2 2.84Å; T272-E275 VanDerWaalsContact OG1-OE2 3.04Å; E275-L277 VanDerWaalsContact C-N 3.33Å
276	K	28.9	Very low	28.6	Very low	143 Å²	143	122.2 Å²	122.2	62%	0.622	67%	0.673	S	S	*	*	H	α-helix	trans	-71.4	-23.2	173.5	-74.8	-176.3	174.2	177.6	0	113.8	A274 L278	A274-K276 VanDerWaalsContact C-N 3.31Å; A274-K276 PolarHBondContact O-N 3.16Å; K276-L278 VanDerWaalsContact C-N 3.34Å
277	L	28	Very low	29	Very low	143 Å²	143	120.2 Å²	120.2	75%	0.749	67%	0.671	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.6	-14.1	-179	-71.8	167.6	0	0	0	113.8	A274 E275	A274-L277 PolarHBondContact O-N 3.41Å; E275-L277 VanDerWaalsContact C-N 3.33Å
278	L	29	Very low	29.3	Very low	153 Å²	153	123.4 Å²	123.4	80%	0.801	68%	0.676	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.1	2.4	176.7	-90.7	156.9	0	0	0	113.9	K276	K276-L278 VanDerWaalsContact C-N 3.34Å
279	N	27.5	Very low	29.7	Very low	146 Å²	146	123.3 Å²	123.3	78%	0.781	67%	0.67	S	S	*	*	S	Bend	trans	-118.7	26.4	-168.4	-151.2	18.7	0	0	0	113.7
280	C	26.8	Very low	30.6	Very low	94 Å²	94	120.9 Å²	120.9	64%	0.635	66%	0.658	S	S	*	*	S	Bend	trans	-117.4	126.8	178.8	-71.2	0	0	0	0	112.6
281	N	26	Very low	31.3	Very low	128 Å²	128	124.1 Å²	124.1	68%	0.684	66%	0.66	S	S	*	*			trans	71.6	57	156.9	-47.5	-18.9	0	0	0	118.1	I360	N281-I360 HydrophobicContact CB-CD1 3.43Å; N281-I360 VanDerWaalsContact CB-CD1 3.43Å; N281-I360 WeakPolarHBondContact O-CD1 3.05Å
282	S	29.4	Very low	32.3	Very low	78 Å²	78	121.3 Å²	121.3	55%	0.545	66%	0.663	S	S	.	*			trans	-76.1	124.5	142.2	56.2	0	0	0	0	109.8	E284	S282-E284 PolarHBondContact O-N 2.96Å
283	Y	29.9	Very low	33.3	Very low	118 Å²	118	118.1 Å²	118.1	46%	0.463	65%	0.645	S	S	.	*			trans	-80.7	103.6	-178.5	-137.3	-106.7	0	0	0	111	E285 I360	Y283-E285 HydrophobicContact CD1-CB 4.17Å; Y283-E285 HydrophobicContact CD1-CG 4.02Å; Y283-E285 HydrophobicContact CE1-CB 4.35Å; Y283-E285 VanDerWaalsContact CE1-CD 3.42Å; Y283-E285 HydrophobicContact CE1-CG 3.77Å; Y283-E285 VanDerWaalsContact CE1-OE1 3.3Å; Y283-E285 WeakPolarHBondContact CE1-OE1 3.47Å; Y283-E285 PolarHBondContact O-N 3.15Å; Y283-E285 PolarHBondContact OH-OE1 3.49Å; Y283-I360 HydrophobicContact CD2-CD1 4.39Å; Y283-I360 HydrophobicContact CD2-CG2 3.66Å; Y283-I360 HydrophobicContact CE2-CG2 3.53Å
284	E	26.9	Very low	34.8	Very low	185 Å²	185	118.7 Å²	118.7	86%	0.864	65%	0.649	S	S	*	*			trans	-84.4	90.7	164.6	-75.8	-158.6	126.1	0	0	109.9	S282	S282-E284 PolarHBondContact O-N 2.96Å
285	E	31	Very low	36.6	Very low	143 Å²	143	117.8 Å²	117.8	67%	0.668	64%	0.637	S	S	*	*			trans	-119.3	142.7	159.2	-86.7	-173.3	-164.3	0	0	111.3	Y283 G287	Y283-E285 HydrophobicContact CD1-CB 4.17Å; Y283-E285 HydrophobicContact CD1-CG 4.02Å; Y283-E285 HydrophobicContact CE1-CB 4.35Å; Y283-E285 VanDerWaalsContact CE1-CD 3.42Å; Y283-E285 HydrophobicContact CE1-CG 3.77Å; Y283-E285 VanDerWaalsContact CE1-OE1 3.3Å; Y283-E285 WeakPolarHBondContact CE1-OE1 3.47Å; Y283-E285 PolarHBondContact O-N 3.15Å; Y283-E285 PolarHBondContact OH-OE1 3.49Å; E285-G287 PolarHBondContact O-N 2.98Å
286	S	29.8	Very low	38.2	Very low	107 Å²	107	116.4 Å²	116.4	75%	0.748	64%	0.635	S	S	*	*			trans	-78	111.1	-159.5	52.3	0	0	0	0	113.9	H288	S286-H288 PolarHBondContact O-CD2 3.37Å; S286-H288 PolarHBondContact O-N 3.46Å
287	G	34.3	Very low	40.2	Very low	77 Å²	77	111.8 Å²	111.8	79%	0.794	62%	0.619	S	S	*	*	S	Bend	trans	80.9	2.3	150.9	0	0	0	0	0	117.9	E285 F289	E285-G287 PolarHBondContact O-N 2.98Å; G287-F289 PolarHBondContact O-N 3.06Å
288	H	38.4	Very low	42.6	Very low	177 Å²	177	107.5 Å²	107.5	82%	0.819	60%	0.598	S	S	*	*			trans	-84.5	113.9	178.1	-76.5	-85.9	0	0	0	112.5	S286	S286-H288 PolarHBondContact O-CD2 3.37Å; S286-H288 PolarHBondContact O-N 3.46Å
289	F	38.3	Very low	44.7	Very low	138 Å²	138	101.1 Å²	101.1	61%	0.605	57%	0.568	S	S	*	*			trans	-67.4	139.2	168.5	-87.3	-100	0	0	0	111.4	G287 K291	G287-F289 PolarHBondContact O-N 3.06Å; F289-K291 VanDerWaalsContact C-N 3.25Å; F289-K291 PolarHBondContact O-N 3.06Å
290	L	45.2	Very low	47.1	Very low	79 Å²	79	103.7 Å²	103.7	41%	0.414	57%	0.567	S	S	.	*			trans	-67.6	81.3	161.8	-72.5	173	0	0	0	110.4	G292 A293 L336 P340	L290-G292 PolarHBondContact O-N 3.42Å; L290-A293 HydrophobicContact CB-CB 3.91Å; L290-A293 PolarHBondContact O-N 2.85Å; L290-L336 HydrophobicContact CD1-CD1 3.85Å; L290-P340 HydrophobicContact CD1-CG 4.27Å; L290-P340 HydrophobicContact CD2-CG 4.34Å
291	K	42.5	Very low	49.4	Very low	208 Å²	208	105.7 Å²	105.7	90%	0.904	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.6	123.9	172.8	-78	-174.6	173.3	-178.3	0	109.9	F289	F289-K291 VanDerWaalsContact C-N 3.25Å; F289-K291 PolarHBondContact O-N 3.06Å
292	G	48.1	Very low	51.4	Low	67 Å²	67	100.3 Å²	100.3	69%	0.691	54%	0.543	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.2	-14.9	179.4	0	0	0	0	0	115.1	L290 N294 Y338	L290-G292 PolarHBondContact O-N 3.42Å; G292-N294 PolarHBondContact O-N 3.33Å; G292-Y338 PolarHBondContact O-OH 2.93Å
293	A	51	Low	53.4	Low	18 Å²	18	103.9 Å²	103.9	15%	0.149	55%	0.551	C	S	.	*			trans	-84.2	95.4	175.7	0	0	0	0	0	111.1	L290 P295 L336 P340	L290-A293 HydrophobicContact CB-CB 3.91Å; L290-A293 PolarHBondContact O-N 2.85Å; A293-P295 WeakPolarHBondContact O-CD 3.2Å; A293-L336 HydrophobicContact CB-CD1 4.19Å; A293-L336 HydrophobicContact CB-CD2 4.18Å; A293-P340 HydrophobicContact CB-CG 4.39Å
294	N	58.1	Low	55	Low	133 Å²	133	100.6 Å²	100.6	71%	0.711	55%	0.545	S	S	*	.			trans	-69	122.8	169.9	-74.6	-15.1	0	0	0	109.8	G292	G292-N294 PolarHBondContact O-N 3.33Å
295	P	66.8	Low	56.7	Low	49 Å²	49	94.2 Å²	94.2	32%	0.318	52%	0.517	S	S	.	.			trans	-73.6	145.5	175.7	30	-33.4	0	0	0	111.8	A293 T298 D334 I335 L336	A293-P295 WeakPolarHBondContact O-CD 3.2Å; P295-T298 WeakPolarHBondContact CG-OG1 3.47Å; P295-D334 HydrophobicContact CB-CB 3.96Å; P295-I335 CarbonylContact C-O 3.53Å; P295-I335 VanDerWaalsContact CA-O 3.27Å; P295-I335 WeakPolarHBondContact CA-O 3.4Å; P295-L336 HydrophobicContact CB-CD2 4.16Å
296	V	66.6	Low	58.1	Low	61 Å²	61	93.2 Å²	93.2	37%	0.37	51%	0.512	S	S	.	.	S	Bend	trans	-72.7	-41.7	170.6	-162	0	0	0	0	109.8	F319 I335 A337	V296-F319 HydrophobicContact CG1-CB 4.22Å; V296-F319 HydrophobicContact CG1-CD1 3.59Å; V296-F319 HydrophobicContact CG1-CE1 4.34Å; V296-F319 HydrophobicContact CG1-CG 4.24Å; V296-I335 HydrophobicContact CB-CG2 4.27Å; V296-I335 HydrophobicContact CG2-CG2 4.44Å; V296-I335 PolarHBondContact N-O 3.17Å; V296-A337 HydrophobicContact CG2-CB 3.63Å
297	V	70.5	Confident	59.6	Low	46 Å²	46	90.4 Å²	90.4	28%	0.279	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	135.2	179.8	176.8	0	0	0	0	108.9	M315 I335	V297-M315 HydrophobicContact CB-CE 4.25Å; V297-M315 HydrophobicContact CB-SD 4.01Å; V297-M315 HydrophobicContact CG1-CE 4.05Å; V297-M315 HydrophobicContact CG1-SD 4.15Å; V297-M315 HydrophobicContact CG2-SD 3.71Å; V297-I335 HydrophobicContact CB-CB 4.22Å; V297-I335 PolarHBondContact O-N 3.15Å
298	T	78.6	Confident	61.2	Low	52 Å²	52	86.7 Å²	86.7	32%	0.319	45%	0.454	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	104.4	171.6	-67.1	0	0	0	0	109	P295 R332 C333 D334	P295-T298 WeakPolarHBondContact CG-OG1 3.47Å; T298-R332 HydrophobicContact CG2-CG 3.87Å; T298-R332 PolarHBondContact OG1-NH2 2.71Å; T298-C333 CarbonylContact C-O 3.55Å; T298-C333 WeakPolarHBondContact CA-O 3.33Å; T298-D334 WeakPolarHBondContact CB-OD1 3.33Å; T298-D334 VanDerWaalsContact CG2-OD1 3.26Å; T298-D334 WeakPolarHBondContact CG2-OD1 3.27Å; T298-D334 PolarHBondContact OG1-OD1 2.85Å
299	A	72.4	Confident	62.6	Low	20 Å²	20	81.1 Å²	81.1	17%	0.165	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.2	150.9	168.5	0	0	0	0	0	111.6	T302 L311 R332 C333	A299-T302 HydrophobicContact CB-CG2 4.03Å; A299-L311 HydrophobicContact CB-CD2 3.4Å; A299-R332 WeakPolarHBondContact O-CA 3.27Å; A299-C333 HydrophobicContact CB-CB 4.28Å; A299-C333 PolarHBondContact N-O 2.99Å; A299-C333 PolarHBondContact O-N 3.28Å
300	R	77.9	Confident	63.8	Low	200 Å²	200	77.8 Å²	77.8	76%	0.755	42%	0.424	S	S	*	.			trans	-120.5	162.8	172.6	-54.2	-175.4	-167.5	-171.3	5.2	108.8	T302 K331	R300-T302 PolarHBondContact O-N 3.19Å; R300-K331 CarbonylContact C-O 3.6Å
301	N	76.5	Confident	64.7	Low	135 Å²	135	76.5 Å²	76.5	72%	0.722	42%	0.417	S	S	*	.			trans	61.2	14.1	-177.7	-53.7	-19.2	0	0	0	115.3	Q303 K331	N301-Q303 PolarHBondContact O-N 3.26Å; N301-Q303 VanDerWaalsContact O-N 3.16Å; N301-K331 PolarHBondContact N-O 3.09Å
302	T	67.9	Low	65.9	Low	15 Å²	15	67.1 Å²	67.1	9%	0.092	38%	0.377	C	S	.	.			trans	-62.8	115.5	168.4	43	0	0	0	0	109	A299 R300 L311 Y326 K331 C333	A299-T302 HydrophobicContact CB-CG2 4.03Å; R300-T302 PolarHBondContact O-N 3.19Å; T302-L311 HydrophobicContact CG2-CD2 4.05Å; T302-Y326 WeakPolarHBondContact O-CE2 3.21Å; T302-Y326 PolarHBondContact O-OH 2.82Å; T302-K331 PolarHBondContact N-O 3.26Å; T302-K331 WeakPolarHBondContact O-CB 3.33Å; T302-K331 WeakPolarHBondContact O-CD 3.08Å; T302-K331 PolarHBondContact OG1-O 3.45Å; T302-C333 HydrophobicContact CG2-CB 3.71Å; T302-C333 WeakPolarHBondContact OG1-CB 3.32Å
303	Q	70	Confident	66.6	Low	154 Å²	154	69.4 Å²	69.4	72%	0.72	37%	0.365	S	S	*	.			trans	-73.8	-33	-164	-60.5	-174.8	10.2	0	0	113.6	N301 Y326 K331	N301-Q303 PolarHBondContact O-N 3.26Å; N301-Q303 VanDerWaalsContact O-N 3.16Å; Q303-Y326 PolarHBondContact O-OH 2.93Å; Q303-Y326 VanDerWaalsContact O-OH 3.12Å; Q303-K331 PolarHBondContact O-NZ 3.26Å
304	S	63.6	Low	67.1	Low	48 Å²	48	71.8 Å²	71.8	34%	0.336	39%	0.385	S	S	.	.	S	Bend	trans	-137.5	166.7	179.4	70.9	0	0	0	0	111.8	Q306 S307 C308 Y326	S304-Q306 PolarHBondContact O-N 3.35Å; S304-Q306 PolarHBondContact OG-N 2.71Å; S304-S307 WeakPolarHBondContact O-CB 3.44Å; S304-S307 PolarHBondContact O-N 2.9Å; S304-S307 PolarHBondContact OG-N 3.41Å; S304-S307 VanDerWaalsContact OG-N 3.11Å; S304-S307 PolarHBondContact OG-OG 3.32Å; S304-C308 PolarHBondContact O-N 2.92Å; S304-Y326 VanDerWaalsContact C-CZ 3.42Å; S304-Y326 WeakPolarHBondContact CA-OH 3.3Å; S304-Y326 PolarHBondContact N-OH 3.26Å
305	L	63.4	Low	67.3	Low	52 Å²	52	66.7 Å²	66.7	27%	0.272	36%	0.357	S	S	.	.	H	α-helix	trans	-59.4	-36.5	169.2	175	61.6	0	0	0	111	S307 C308 L309 V324 Y326	L305-S307 VanDerWaalsContact C-N 3.31Å; L305-S307 PolarHBondContact O-N 3.22Å; L305-C308 CarbonylContact O-C 3.55Å; L305-C308 WeakPolarHBondContact O-CA 3.43Å; L305-C308 WeakPolarHBondContact O-CB 3.17Å; L305-C308 PolarHBondContact O-N 2.81Å; L305-L309 HydrophobicContact CD1-CD1 4.25Å; L305-L309 HydrophobicContact CD1-CG 4.06Å; L305-L309 HydrophobicContact CD2-CD1 4.41Å; L305-L309 HydrophobicContact CG-CD1 3.91Å; L305-L309 HydrophobicContact CG-CG 4.21Å; L305-L309 WeakPolarHBondContact O-CG 3.44Å; L305-L309 PolarHBondContact O-N 3.45Å; L305-V324 HydrophobicContact CD1-CG2 4.23Å; L305-Y326 HydrophobicContact CB-CD1 3.68Å; L305-Y326 HydrophobicContact CB-CE1 4.01Å; L305-Y326 HydrophobicContact CB-CG 4.29Å; L305-Y326 HydrophobicContact CD1-CD1 4.11Å; L305-Y326 HydrophobicContact CD1-CG 4.06Å; L305-Y326 HydrophobicContact CG-CD1 4.46Å; L305-Y326 VanDerWaalsContact N-CE1 3.33Å
306	Q	59.3	Low	66.9	Low	121 Å²	121	68 Å²	68	57%	0.565	36%	0.356	S	S	*	.	H	α-helix	trans	-59.2	-42.3	175.6	-159.7	69.8	1.8	0	0	111.4	S304 C308 L309 S310	S304-Q306 PolarHBondContact O-N 3.35Å; S304-Q306 PolarHBondContact OG-N 2.71Å; Q306-C308 VanDerWaalsContact C-N 3.28Å; Q306-C308 PolarHBondContact O-N 2.93Å; Q306-L309 PolarHBondContact O-N 2.69Å; Q306-S310 WeakPolarHBondContact O-CB 3.3Å; Q306-S310 PolarHBondContact O-N 2.89Å; Q306-S310 PolarHBondContact O-OG 3.4Å; Q306-S310 VanDerWaalsContact O-OG 3.11Å
307	S	62.7	Low	66.1	Low	48 Å²	48	68 Å²	68	34%	0.336	36%	0.356	S	S	.	.	H	α-helix	trans	-60.9	-37	173	-51.5	0	0	0	0	112.4	S304 L305 L311	S304-S307 WeakPolarHBondContact O-CB 3.44Å; S304-S307 PolarHBondContact O-N 2.9Å; S304-S307 PolarHBondContact OG-N 3.41Å; S304-S307 VanDerWaalsContact OG-N 3.11Å; S304-S307 PolarHBondContact OG-OG 3.32Å; L305-S307 VanDerWaalsContact C-N 3.31Å; L305-S307 PolarHBondContact O-N 3.22Å; S307-L311 VanDerWaalsContact O-CB 3.24Å; S307-L311 WeakPolarHBondContact O-CB 3.47Å; S307-L311 PolarHBondContact O-N 2.74Å
308	C	67.9	Low	65.1	Low	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.36	C	S	.	.	H	α-helix	trans	-71.7	-40.9	178.2	-177.7	0	0	0	0	112.6	S304 L305 Q306 L311 C312 Y326 C333	S304-C308 PolarHBondContact O-N 2.92Å; L305-C308 CarbonylContact O-C 3.55Å; L305-C308 WeakPolarHBondContact O-CA 3.43Å; L305-C308 WeakPolarHBondContact O-CB 3.17Å; L305-C308 PolarHBondContact O-N 2.81Å; Q306-C308 VanDerWaalsContact C-N 3.28Å; Q306-C308 PolarHBondContact O-N 2.93Å; C308-L311 PolarHBondContact O-N 3.5Å; C308-C312 PolarHBondContact O-N 2.86Å; C308-Y326 HydrophobicContact CB-CD2 3.79Å; C308-Y326 HydrophobicContact CB-CG 4.18Å; C308-C333 WeakPolarHBondContact CA-SG 3.03Å; C308-C333 HydrophobicContact CB-CB 3.66Å; C308-C333 WeakPolarHBondContact CB-SG 3.45Å; C308-C333 WeakPolarHBondContact SG-CB 3.26Å; C308-C333 CovalentContact SG-SG 2.03Å; C308-C333 PolarHBondContact SG-SG 3.44Å
309	L	67.3	Low	63.8	Low	60 Å²	60	67.8 Å²	67.8	31%	0.314	36%	0.357	S	S	.	.	H	α-helix	trans	-65.8	-44.7	174.3	-71	170.2	0	0	0	111.4	L305 Q306 L311 C312 W313 V324	L305-L309 HydrophobicContact CD1-CD1 4.25Å; L305-L309 HydrophobicContact CD1-CG 4.06Å; L305-L309 HydrophobicContact CD2-CD1 4.41Å; L305-L309 HydrophobicContact CG-CD1 3.91Å; L305-L309 HydrophobicContact CG-CG 4.21Å; L305-L309 WeakPolarHBondContact O-CG 3.44Å; L305-L309 PolarHBondContact O-N 3.45Å; Q306-L309 PolarHBondContact O-N 2.69Å; L309-L311 VanDerWaalsContact C-N 3.26Å; L309-L311 PolarHBondContact O-N 2.97Å; L309-C312 PolarHBondContact O-N 2.82Å; L309-W313 VanDerWaalsContact O-CB 3.32Å; L309-W313 WeakPolarHBondContact O-CB 3.43Å; L309-W313 PolarHBondContact O-N 2.85Å; L309-V324 HydrophobicContact CD2-CG2 3.66Å; L309-V324 HydrophobicContact CG-CG2 4.35Å
310	S	63.1	Low	63	Low	67 Å²	67	70.2 Å²	70.2	47%	0.469	37%	0.368	S	S	.	.	H	α-helix	trans	-61.1	-33.8	173.1	-64.6	0	0	0	0	112.7	Q306 W313 A314	Q306-S310 WeakPolarHBondContact O-CB 3.3Å; Q306-S310 PolarHBondContact O-N 2.89Å; Q306-S310 PolarHBondContact O-OG 3.4Å; Q306-S310 VanDerWaalsContact O-OG 3.11Å; S310-W313 PolarHBondContact O-N 2.89Å; S310-A314 WeakPolarHBondContact O-CB 3.32Å; S310-A314 PolarHBondContact O-N 2.8Å
311	L	65.4	Low	62.3	Low	53 Å²	53	60.8 Å²	60.8	28%	0.277	33%	0.332	S	S	.	.	H	α-helix	trans	-71.2	-42.1	176.7	-179.1	62.4	0	0	0	112.2	A299 T302 S307 C308 L309 A314 M315 I335	A299-L311 HydrophobicContact CB-CD2 3.4Å; T302-L311 HydrophobicContact CG2-CD2 4.05Å; S307-L311 VanDerWaalsContact O-CB 3.24Å; S307-L311 WeakPolarHBondContact O-CB 3.47Å; S307-L311 PolarHBondContact O-N 2.74Å; C308-L311 PolarHBondContact O-N 3.5Å; L309-L311 VanDerWaalsContact C-N 3.26Å; L309-L311 PolarHBondContact O-N 2.97Å; L311-A314 PolarHBondContact O-N 2.69Å; L311-M315 HydrophobicContact CD1-CE 3.67Å; L311-M315 HydrophobicContact CD2-CE 4.21Å; L311-M315 HydrophobicContact CG-CE 3.52Å; L311-M315 PolarHBondContact O-N 2.8Å; L311-M315 VanDerWaalsContact O-N 3.13Å; L311-I335 HydrophobicContact CD2-CD1 4.12Å; L311-I335 HydrophobicContact CG-CD1 4.32Å
312	C	66.2	Low	61.6	Low	10 Å²	10	60.4 Å²	60.4	7%	0.068	32%	0.321	C	S	.	.	H	α-helix	trans	-60.5	-44	169.6	170.7	0	0	0	0	112.1	C308 L309 A314 M315 R316 C321 V324 I335	C308-C312 PolarHBondContact O-N 2.86Å; L309-C312 PolarHBondContact O-N 2.82Å; C312-A314 PolarHBondContact O-N 3.33Å; C312-M315 CarbonylContact O-C 3.5Å; C312-M315 PolarHBondContact O-N 3.06Å; C312-M315 VanDerWaalsContact O-N 3.09Å; C312-R316 PolarHBondContact O-N 2.81Å; C312-C321 VanDerWaalsContact CA-SG 3.56Å; C312-C321 HydrophobicContact CB-CB 4.09Å; C312-C321 WeakPolarHBondContact CB-SG 3.4Å; C312-C321 WeakPolarHBondContact O-CB 3.37Å; C312-C321 WeakPolarHBondContact SG-CB 3.31Å; C312-C321 CovalentContact SG-SG 2.03Å; C312-C321 PolarHBondContact SG-SG 3.03Å; C312-V324 HydrophobicContact CB-CG1 3.38Å; C312-I335 HydrophobicContact CB-CG1 4.38Å
313	W	62.6	Low	61.5	Low	116 Å²	116	60.6 Å²	60.6	44%	0.439	32%	0.323	S	S	.	.	H	α-helix	trans	-59.1	-44.9	177	-172.7	-99.1	0	0	0	111.7	L309 S310 M315 R316 M444	L309-W313 VanDerWaalsContact O-CB 3.32Å; L309-W313 WeakPolarHBondContact O-CB 3.43Å; L309-W313 PolarHBondContact O-N 2.85Å; S310-W313 PolarHBondContact O-N 2.89Å; W313-M315 VanDerWaalsContact C-N 3.29Å; W313-M315 PolarHBondContact O-N 3.33Å; W313-R316 WeakPolarHBondContact O-CB 3.43Å; W313-R316 PolarHBondContact O-N 3.04Å; W313-M444 HydrophobicContact CD2-CE 4.17Å; W313-M444 VanDerWaalsContact CE2-CE 3.42Å; W313-M444 HydrophobicContact CH2-CE 3.94Å; W313-M444 HydrophobicContact CZ2-CE 3.3Å; W313-M444 HydrophobicContact CZ2-SD 4.48Å
314	A	61.7	Low	61.3	Low	68 Å²	68	54.8 Å²	54.8	56%	0.562	30%	0.298	S	S	*	.	H	α-helix	trans	-62.5	-31.9	174.2	0	0	0	0	0	113.4	S310 L311 C312	S310-A314 WeakPolarHBondContact O-CB 3.32Å; S310-A314 PolarHBondContact O-N 2.8Å; L311-A314 PolarHBondContact O-N 2.69Å; C312-A314 PolarHBondContact O-N 3.33Å
315	M	63	Low	61.6	Low	25 Å²	25	54.5 Å²	54.5	12%	0.123	29%	0.292	C	S	.	.	H	α-helix	trans	-88.2	-6.4	176.4	-81.9	-173.8	-88.2	0	0	114.8	V297 L311 C312 W313 T317 G318 F319 I335	V297-M315 HydrophobicContact CB-CE 4.25Å; V297-M315 HydrophobicContact CB-SD 4.01Å; V297-M315 HydrophobicContact CG1-CE 4.05Å; V297-M315 HydrophobicContact CG1-SD 4.15Å; V297-M315 HydrophobicContact CG2-SD 3.71Å; L311-M315 HydrophobicContact CD1-CE 3.67Å; L311-M315 HydrophobicContact CD2-CE 4.21Å; L311-M315 HydrophobicContact CG-CE 3.52Å; L311-M315 PolarHBondContact O-N 2.8Å; L311-M315 VanDerWaalsContact O-N 3.13Å; C312-M315 CarbonylContact O-C 3.5Å; C312-M315 PolarHBondContact O-N 3.06Å; C312-M315 VanDerWaalsContact O-N 3.09Å; W313-M315 VanDerWaalsContact C-N 3.29Å; W313-M315 PolarHBondContact O-N 3.33Å; M315-T317 PolarHBondContact O-N 3.04Å; M315-G318 PolarHBondContact O-N 2.72Å; M315-G318 VanDerWaalsContact O-N 3.1Å; M315-F319 HydrophobicContact CB-CB 4.41Å; M315-F319 HydrophobicContact CB-CD2 4.02Å; M315-F319 HydrophobicContact CG-CD2 3.79Å; M315-F319 HydrophobicContact CG-CE2 4.31Å; M315-F319 PolarHBondContact O-N 2.93Å; M315-F319 HydrophobicContact SD-CD2 3.9Å; M315-F319 HydrophobicContact SD-CE2 4.24Å; M315-I335 HydrophobicContact CE-CD1 3.73Å; M315-I335 HydrophobicContact CE-CG1 3.72Å
316	R	59.2	Low	61.9	Low	76 Å²	76	54 Å²	54	29%	0.287	29%	0.287	S	S	.	.	H	α-helix	trans	-60	-29.5	-178.4	-171.5	173.6	173.8	131.6	-6.9	112.8	C312 W313	C312-R316 PolarHBondContact O-N 2.81Å; W313-R316 WeakPolarHBondContact O-CB 3.43Å; W313-R316 PolarHBondContact O-N 3.04Å
317	T	49.9	Very low	62.4	Low	61 Å²	61	50.7 Å²	50.7	37%	0.374	27%	0.273	S	S	.	.	H	α-helix	trans	-90.1	12.7	179.8	54.2	0	0	0	0	114.6	M315	M315-T317 PolarHBondContact O-N 3.04Å
318	G	47.9	Very low	62.4	Low	36 Å²	36	51.4 Å²	51.4	37%	0.371	28%	0.278	S	S	.	.	H	α-helix	trans	-145.9	-26.8	175.8	0	0	0	0	0	115.8	M315	M315-G318 PolarHBondContact O-N 2.72Å; M315-G318 VanDerWaalsContact O-N 3.1Å
319	F	52.3	Low	62.5	Low	58 Å²	58	62.6 Å²	62.6	25%	0.254	32%	0.321	S	S	.	.	H	α-helix	trans	-124.7	8.4	-174.7	-69	-79	0	0	0	114.5	V296 M315 C321 S658	V296-F319 HydrophobicContact CG1-CB 4.22Å; V296-F319 HydrophobicContact CG1-CD1 3.59Å; V296-F319 HydrophobicContact CG1-CE1 4.34Å; V296-F319 HydrophobicContact CG1-CG 4.24Å; M315-F319 HydrophobicContact CB-CB 4.41Å; M315-F319 HydrophobicContact CB-CD2 4.02Å; M315-F319 HydrophobicContact CG-CD2 3.79Å; M315-F319 HydrophobicContact CG-CE2 4.31Å; M315-F319 PolarHBondContact O-N 2.93Å; M315-F319 HydrophobicContact SD-CD2 3.9Å; M315-F319 HydrophobicContact SD-CE2 4.24Å; F319-C321 VanDerWaalsContact C-N 3.32Å; F319-C321 PolarHBondContact O-N 3.07Å; F319-S658 VanDerWaalsContact CE2-OG 3.29Å; F319-S658 WeakPolarHBondContact CE2-OG 3.36Å; F319-S658 VanDerWaalsContact CZ-OG 3.23Å; F319-S658 WeakPolarHBondContact CZ-OG 3.43Å
320	D	56.4	Low	63	Low	72 Å²	72	63.7 Å²	63.7	39%	0.385	33%	0.33	S	S	.	.			trans	47.9	50.7	-174.4	-171	15.1	0	0	0	112.3	R322 A337	D320-R322 VanDerWaalsContact CG-NE 3.28Å; D320-R322 WeakPolarHBondContact O-CG 3.42Å; D320-R322 PolarHBondContact O-N 3.06Å; D320-R322 WeakPolarHBondContact OD1-CG 3.3Å; D320-R322 IonicContact OD1-CZ 3.67Å; D320-R322 IonicContact OD1-NE 2.77Å; D320-R322 PolarHBondContact OD1-NE 3.22Å; D320-R322 IonicContact OD1-NH2 3.25Å; D320-R322 IonicContact OD2-CZ 3.95Å; D320-R322 IonicContact OD2-NE 3.45Å; D320-R322 PolarHBondContact OD2-NE 2.95Å; D320-R322 IonicContact OD2-NH2 2.85Å; D320-R322 PolarHBondContact OD2-NH2 3.32Å; D320-A337 WeakPolarHBondContact O-CA 3.48Å
321	C	61.9	Low	63.7	Low	2 Å²	2	64.5 Å²	64.5	1%	0.014	33%	0.325	C	S	.	.			trans	-64.1	113.4	177.5	-173.6	0	0	0	0	110.8	C312 F319 I335	C312-C321 VanDerWaalsContact CA-SG 3.56Å; C312-C321 HydrophobicContact CB-CB 4.09Å; C312-C321 WeakPolarHBondContact CB-SG 3.4Å; C312-C321 WeakPolarHBondContact O-CB 3.37Å; C312-C321 WeakPolarHBondContact SG-CB 3.31Å; C312-C321 CovalentContact SG-SG 2.03Å; C312-C321 PolarHBondContact SG-SG 3.03Å; F319-C321 VanDerWaalsContact C-N 3.32Å; F319-C321 PolarHBondContact O-N 3.07Å; C321-I335 HydrophobicContact CB-CG2 3.99Å
322	R	63.2	Low	64.2	Low	127 Å²	127	66.1 Å²	66.1	48%	0.479	33%	0.327	S	S	.	.			trans	-106.6	-25.5	179.8	-56.4	-163.4	-177.9	-157.6	2.3	113.5	D320 L336 A337 L339	D320-R322 VanDerWaalsContact CG-NE 3.28Å; D320-R322 WeakPolarHBondContact O-CG 3.42Å; D320-R322 PolarHBondContact O-N 3.06Å; D320-R322 WeakPolarHBondContact OD1-CG 3.3Å; D320-R322 IonicContact OD1-CZ 3.67Å; D320-R322 IonicContact OD1-NE 2.77Å; D320-R322 PolarHBondContact OD1-NE 3.22Å; D320-R322 IonicContact OD1-NH2 3.25Å; D320-R322 IonicContact OD2-CZ 3.95Å; D320-R322 IonicContact OD2-NE 3.45Å; D320-R322 PolarHBondContact OD2-NE 2.95Å; D320-R322 IonicContact OD2-NH2 2.85Å; D320-R322 PolarHBondContact OD2-NH2 3.32Å; R322-L336 PolarHBondContact N-O 3.23Å; R322-A337 WeakPolarHBondContact CD-O 3.2Å; R322-A337 WeakPolarHBondContact CG-O 3.31Å; R322-L339 HydrophobicContact CB-CD1 3.92Å
323	S	63.7	Low	64.6	Low	19 Å²	19	65.7 Å²	65.7	13%	0.133	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.7	169.1	173.7	65.1	0	0	0	0	112.5	L336 Y338	S323-L336 PolarHBondContact N-O 3.48Å; S323-L336 WeakPolarHBondContact O-CB 3.27Å; S323-L336 PolarHBondContact O-N 3.06Å; S323-Y338 PolarHBondContact OG-O 2.74Å; S323-Y338 VanDerWaalsContact OG-O 3.12Å
324	V	67.2	Low	65.3	Low	32 Å²	32	60.5 Å²	60.5	19%	0.194	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	150.1	175.6	-63.8	0	0	0	0	111.9	L305 L309 C312 D334 I335	L305-V324 HydrophobicContact CD1-CG2 4.23Å; L309-V324 HydrophobicContact CD2-CG2 3.66Å; L309-V324 HydrophobicContact CG-CG2 4.35Å; C312-V324 HydrophobicContact CB-CG1 3.38Å; V324-D334 CarbonylContact C-O 3.6Å; V324-D334 VanDerWaalsContact CA-O 3.29Å; V324-D334 WeakPolarHBondContact CA-O 3.4Å; V324-I335 HydrophobicContact CG1-CG1 4.46Å
325	N	69.5	Low	65.8	Low	42 Å²	42	57.3 Å²	57.3	23%	0.225	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	112.2	164.3	162.2	41.7	0	0	0	108.5	D334	N325-D334 HydrophobicContact CB-CB 4.03Å; N325-D334 PolarHBondContact N-O 3.38Å; N325-D334 PolarHBondContact ND2-OD2 3.38Å; N325-D334 VanDerWaalsContact ND2-OD2 3.14Å; N325-D334 PolarHBondContact O-N 3.5Å
326	Y	69.9	Low	65.8	Low	42 Å²	42	56.3 Å²	56.3	17%	0.165	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	121.6	-177	174.1	-108.1	0	0	0	111.6	T302 Q303 S304 L305 C308 R332 C333	T302-Y326 WeakPolarHBondContact O-CE2 3.21Å; T302-Y326 PolarHBondContact O-OH 2.82Å; Q303-Y326 PolarHBondContact O-OH 2.93Å; Q303-Y326 VanDerWaalsContact O-OH 3.12Å; S304-Y326 VanDerWaalsContact C-CZ 3.42Å; S304-Y326 WeakPolarHBondContact CA-OH 3.3Å; S304-Y326 PolarHBondContact N-OH 3.26Å; L305-Y326 HydrophobicContact CB-CD1 3.68Å; L305-Y326 HydrophobicContact CB-CE1 4.01Å; L305-Y326 HydrophobicContact CB-CG 4.29Å; L305-Y326 HydrophobicContact CD1-CD1 4.11Å; L305-Y326 HydrophobicContact CD1-CG 4.06Å; L305-Y326 HydrophobicContact CG-CD1 4.46Å; L305-Y326 VanDerWaalsContact N-CE1 3.33Å; C308-Y326 HydrophobicContact CB-CD2 3.79Å; C308-Y326 HydrophobicContact CB-CG 4.18Å; Y326-R332 CarbonylContact C-O 3.52Å; Y326-R332 WeakPolarHBondContact CA-O 3.27Å; Y326-R332 VanDerWaalsContact CD2-O 3.28Å; Y326-R332 WeakPolarHBondContact CD2-O 3.19Å; Y326-C333 HydrophobicContact CD2-CB 4.39Å
327	N	69.2	Low	66	Low	50 Å²	50	54.3 Å²	54.3	27%	0.267	27%	0.274	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	106	175	-173.3	-42.2	0	0	0	110.2	R329 T330 K331 R332	N327-R329 VanDerWaalsContact C-N 3.28Å; N327-R329 PolarHBondContact O-N 3.45Å; N327-R329 WeakPolarHBondContact OD1-CB 3.28Å; N327-R329 PolarHBondContact OD1-N 3.13Å; N327-T330 WeakPolarHBondContact CB-OG1 3.43Å; N327-T330 PolarHBondContact O-N 3.12Å; N327-T330 PolarHBondContact OD1-N 3.43Å; N327-T330 PolarHBondContact OD1-OG1 3.4Å; N327-K331 WeakPolarHBondContact O-CA 3.29Å; N327-K331 PolarHBondContact O-N 2.98Å; N327-R332 HydrophobicContact CB-CB 4.32Å; N327-R332 PolarHBondContact N-O 3.41Å; N327-R332 PolarHBondContact O-N 3.01Å
328	S	63.4	Low	66.4	Low	64 Å²	64	56.3 Å²	56.3	45%	0.448	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	-26	-177.9	60.3	0	0	0	0	114.6	K331	S328-K331 WeakPolarHBondContact O-CE 3.3Å; S328-K331 PolarHBondContact O-NZ 2.9Å
329	R	70.4	Confident	66.5	Low	235 Å²	235	58.5 Å²	58.5	89%	0.887	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.1	-44.9	178.1	-62.7	-175.5	-179.4	-176.5	1	112.1	N327	N327-R329 VanDerWaalsContact C-N 3.28Å; N327-R329 PolarHBondContact O-N 3.45Å; N327-R329 WeakPolarHBondContact OD1-CB 3.28Å; N327-R329 PolarHBondContact OD1-N 3.13Å
330	T	77.8	Confident	66.2	Low	83 Å²	83	56.8 Å²	56.8	51%	0.509	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.2	-0.2	-178.4	64.9	0	0	0	0	113.7	N327 R332	N327-T330 WeakPolarHBondContact CB-OG1 3.43Å; N327-T330 PolarHBondContact O-N 3.12Å; N327-T330 PolarHBondContact OD1-N 3.43Å; N327-T330 PolarHBondContact OD1-OG1 3.4Å; T330-R332 PolarHBondContact O-N 3.27Å; T330-R332 WeakPolarHBondContact OG1-CB 3.46Å
331	K	76.2	Confident	65.4	Low	84 Å²	84	58.6 Å²	58.6	37%	0.365	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	51.6	35.3	-175.3	-57.7	-57.5	-174.4	-177.5	0	112.5	R300 N301 T302 Q303 N327 S328	R300-K331 CarbonylContact C-O 3.6Å; N301-K331 PolarHBondContact N-O 3.09Å; T302-K331 PolarHBondContact N-O 3.26Å; T302-K331 WeakPolarHBondContact O-CB 3.33Å; T302-K331 WeakPolarHBondContact O-CD 3.08Å; T302-K331 PolarHBondContact OG1-O 3.45Å; Q303-K331 PolarHBondContact O-NZ 3.26Å; N327-K331 WeakPolarHBondContact O-CA 3.29Å; N327-K331 PolarHBondContact O-N 2.98Å; S328-K331 WeakPolarHBondContact O-CE 3.3Å; S328-K331 PolarHBondContact O-NZ 2.9Å
332	R	77.3	Confident	64.4	Low	87 Å²	87	64.2 Å²	64.2	33%	0.328	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	138.4	-179.8	177.9	-179.9	168.6	148.6	6.2	110.1	T298 A299 Y326 N327 T330 D334	T298-R332 HydrophobicContact CG2-CG 3.87Å; T298-R332 PolarHBondContact OG1-NH2 2.71Å; A299-R332 WeakPolarHBondContact O-CA 3.27Å; Y326-R332 CarbonylContact C-O 3.52Å; Y326-R332 WeakPolarHBondContact CA-O 3.27Å; Y326-R332 VanDerWaalsContact CD2-O 3.28Å; Y326-R332 WeakPolarHBondContact CD2-O 3.19Å; N327-R332 HydrophobicContact CB-CB 4.32Å; N327-R332 PolarHBondContact N-O 3.41Å; N327-R332 PolarHBondContact O-N 3.01Å; T330-R332 PolarHBondContact O-N 3.27Å; T330-R332 WeakPolarHBondContact OG1-CB 3.46Å; R332-D334 IonicContact CZ-OD1 3.41Å; R332-D334 VanDerWaalsContact CZ-OD1 3.25Å; R332-D334 IonicContact CZ-OD2 3.36Å; R332-D334 IonicContact NE-OD1 3.47Å; R332-D334 PolarHBondContact NE-OD1 3.42Å; R332-D334 IonicContact NE-OD2 3.95Å; R332-D334 PolarHBondContact NE-OD2 2.85Å; R332-D334 IonicContact NH2-OD1 3.28Å; R332-D334 PolarHBondContact NH2-OD1 2.95Å; R332-D334 IonicContact NH2-OD2 3.36Å; R332-D334 PolarHBondContact NH2-OD2 2.93Å
333	C	74.4	Confident	63.3	Low	0 Å²	0	61.3 Å²	61.3	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	113.2	175.5	175.8	0	0	0	0	108.9	T298 A299 T302 C308 Y326 I335	T298-C333 CarbonylContact C-O 3.55Å; T298-C333 WeakPolarHBondContact CA-O 3.33Å; A299-C333 HydrophobicContact CB-CB 4.28Å; A299-C333 PolarHBondContact N-O 2.99Å; A299-C333 PolarHBondContact O-N 3.28Å; T302-C333 HydrophobicContact CG2-CB 3.71Å; T302-C333 WeakPolarHBondContact OG1-CB 3.32Å; C308-C333 WeakPolarHBondContact CA-SG 3.03Å; C308-C333 HydrophobicContact CB-CB 3.66Å; C308-C333 WeakPolarHBondContact CB-SG 3.45Å; C308-C333 WeakPolarHBondContact SG-CB 3.26Å; C308-C333 CovalentContact SG-SG 2.03Å; C308-C333 PolarHBondContact SG-SG 3.44Å; Y326-C333 HydrophobicContact CD2-CB 4.39Å; C333-I335 VanDerWaalsContact SG-CD1 3.59Å
334	D	76.3	Confident	62	Low	8 Å²	8	62.9 Å²	62.9	4%	0.043	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.4	118.5	176.8	-72.1	-42.6	0	0	0	109.3	P295 T298 V324 N325 R332	P295-D334 HydrophobicContact CB-CB 3.96Å; T298-D334 WeakPolarHBondContact CB-OD1 3.33Å; T298-D334 VanDerWaalsContact CG2-OD1 3.26Å; T298-D334 WeakPolarHBondContact CG2-OD1 3.27Å; T298-D334 PolarHBondContact OG1-OD1 2.85Å; V324-D334 CarbonylContact C-O 3.6Å; V324-D334 VanDerWaalsContact CA-O 3.29Å; V324-D334 WeakPolarHBondContact CA-O 3.4Å; N325-D334 HydrophobicContact CB-CB 4.03Å; N325-D334 PolarHBondContact N-O 3.38Å; N325-D334 PolarHBondContact ND2-OD2 3.38Å; N325-D334 VanDerWaalsContact ND2-OD2 3.14Å; N325-D334 PolarHBondContact O-N 3.5Å; R332-D334 IonicContact CZ-OD1 3.41Å; R332-D334 VanDerWaalsContact CZ-OD1 3.25Å; R332-D334 IonicContact CZ-OD2 3.36Å; R332-D334 IonicContact NE-OD1 3.47Å; R332-D334 PolarHBondContact NE-OD1 3.42Å; R332-D334 IonicContact NE-OD2 3.95Å; R332-D334 PolarHBondContact NE-OD2 2.85Å; R332-D334 IonicContact NH2-OD1 3.28Å; R332-D334 PolarHBondContact NH2-OD1 2.95Å; R332-D334 IonicContact NH2-OD2 3.36Å; R332-D334 PolarHBondContact NH2-OD2 2.93Å
335	I	71.8	Confident	60.4	Low	0 Å²	0	65.9 Å²	65.9	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	130.6	180	-79.7	81	0	0	0	109.5	P295 V296 V297 L311 C312 M315 C321 V324 C333	P295-I335 CarbonylContact C-O 3.53Å; P295-I335 VanDerWaalsContact CA-O 3.27Å; P295-I335 WeakPolarHBondContact CA-O 3.4Å; V296-I335 HydrophobicContact CB-CG2 4.27Å; V296-I335 HydrophobicContact CG2-CG2 4.44Å; V296-I335 PolarHBondContact N-O 3.17Å; V297-I335 HydrophobicContact CB-CB 4.22Å; V297-I335 PolarHBondContact O-N 3.15Å; L311-I335 HydrophobicContact CD2-CD1 4.12Å; L311-I335 HydrophobicContact CG-CD1 4.32Å; C312-I335 HydrophobicContact CB-CG1 4.38Å; M315-I335 HydrophobicContact CE-CD1 3.73Å; M315-I335 HydrophobicContact CE-CG1 3.72Å; C321-I335 HydrophobicContact CB-CG2 3.99Å; V324-I335 HydrophobicContact CG1-CG1 4.46Å; C333-I335 VanDerWaalsContact SG-CD1 3.59Å
336	L	63.5	Low	58.8	Low	4 Å²	4	66.3 Å²	66.3	2%	0.021	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.2	-174.3	-50.8	-178.8	0	0	0	111.6	L290 A293 P295 R322 S323 Y338	L290-L336 HydrophobicContact CD1-CD1 3.85Å; A293-L336 HydrophobicContact CB-CD1 4.19Å; A293-L336 HydrophobicContact CB-CD2 4.18Å; P295-L336 HydrophobicContact CB-CD2 4.16Å; R322-L336 PolarHBondContact N-O 3.23Å; S323-L336 PolarHBondContact N-O 3.48Å; S323-L336 WeakPolarHBondContact O-CB 3.27Å; S323-L336 PolarHBondContact O-N 3.06Å; L336-Y338 PolarHBondContact O-N 2.68Å
337	A	64.5	Low	57.2	Low	35 Å²	35	73 Å²	73	29%	0.289	39%	0.389	S	S	.	.	S	Bend	trans	-75.8	-5.7	177.8	0	0	0	0	0	114.3	V296 D320 R322	V296-A337 HydrophobicContact CG2-CB 3.63Å; D320-A337 WeakPolarHBondContact O-CA 3.48Å; R322-A337 WeakPolarHBondContact CD-O 3.2Å; R322-A337 WeakPolarHBondContact CG-O 3.31Å
338	Y	57.1	Low	55.4	Low	102 Å²	102	79.7 Å²	79.7	40%	0.4	42%	0.418	S	S	.	.	S	Bend	trans	-145.7	160.9	-178.1	57.2	-88.8	0	0	0	111.4	G292 S323 L336 P340	G292-Y338 PolarHBondContact O-OH 2.93Å; S323-Y338 PolarHBondContact OG-O 2.74Å; S323-Y338 VanDerWaalsContact OG-O 3.12Å; L336-Y338 PolarHBondContact O-N 2.68Å; Y338-P340 HydrophobicContact CE2-CG 4.39Å
339	L	51.1	Low	53.9	Low	83 Å²	83	81.9 Å²	81.9	44%	0.435	42%	0.422	S	S	.	.			trans	-86.9	126.2	159.6	-72	91.5	0	0	0	107.3	R322 L343	R322-L339 HydrophobicContact CB-CD1 3.92Å; L339-L343 HydrophobicContact CB-CD1 4.06Å; L339-L343 HydrophobicContact CD2-CD1 4.08Å
340	P	45.7	Very low	52	Low	21 Å²	21	75.4 Å²	75.4	14%	0.136	41%	0.408	C	S	.	.			trans	-58.6	139	175.2	-25.6	35.6	0	0	0	111.5	L290 A293 Y338 T342 L343	L290-P340 HydrophobicContact CD1-CG 4.27Å; L290-P340 HydrophobicContact CD2-CG 4.34Å; A293-P340 HydrophobicContact CB-CG 4.39Å; Y338-P340 HydrophobicContact CE2-CG 4.39Å; P340-T342 PolarHBondContact O-N 3.13Å; P340-L343 WeakPolarHBondContact O-CD1 3.28Å
341	A	38.9	Very low	49.7	Very low	111 Å²	111	76.7 Å²	76.7	92%	0.917	42%	0.415	S	S	*	.	S	Bend	trans	-63.8	-10.7	-176.7	0	0	0	0	0	114.5	L343	A341-L343 PolarHBondContact O-N 3.24Å; A341-L343 VanDerWaalsContact O-N 3.13Å
342	T	42.1	Very low	47.3	Very low	119 Å²	119	83.8 Å²	83.8	73%	0.73	44%	0.44	S	S	*	.			trans	-84.8	42	-179.7	59.1	0	0	0	0	113	P340	P340-T342 PolarHBondContact O-N 3.13Å
343	L	39.5	Very low	45.1	Very low	67 Å²	67	87 Å²	87	35%	0.351	46%	0.459	S	S	.	.			trans	-117.1	95	-179.6	-82	163.5	0	0	0	110.3	L339 P340 A341 L345 P361	L339-L343 HydrophobicContact CB-CD1 4.06Å; L339-L343 HydrophobicContact CD2-CD1 4.08Å; P340-L343 WeakPolarHBondContact O-CD1 3.28Å; A341-L343 PolarHBondContact O-N 3.24Å; A341-L343 VanDerWaalsContact O-N 3.13Å; L343-L345 PolarHBondContact O-N 2.93Å; L343-P361 HydrophobicContact CB-CG 4.35Å; L343-P361 HydrophobicContact CD2-CG 3.7Å
344	P	35.8	Very low	42.9	Very low	52 Å²	52	98 Å²	98	34%	0.338	50%	0.5	S	S	.	.			trans	-82.5	73.9	-166.8	32.8	-38.2	0	0	0	114.1	P361	P344-P361 HydrophobicContact CB-CB 4.5Å; P344-P361 HydrophobicContact CG-CB 3.85Å; P344-P361 HydrophobicContact CG-CG 4.19Å; P344-P361 WeakPolarHBondContact O-CB 3.23Å
345	L	34.7	Very low	40.7	Very low	95 Å²	95	106 Å²	106	50%	0.497	53%	0.531	S	S	.	.			trans	-74.1	135.9	-173.2	-68.7	165.6	0	0	0	114.1	L343 A359 P361	L343-L345 PolarHBondContact O-N 2.93Å; L345-A359 HydrophobicContact CD1-CB 3.81Å; L345-A359 HydrophobicContact CD2-CB 3.8Å; L345-P361 HydrophobicContact CD2-CB 3.9Å; L345-P361 HydrophobicContact CD2-CG 4.41Å; L345-P361 HydrophobicContact CG-CB 4.22Å
346	S	35.2	Very low	38.8	Very low	50 Å²	50	111.7 Å²	111.7	35%	0.35	57%	0.571	S	S	.	*			trans	-85.2	154	178.4	95	0	0	0	0	112.8	Q348 E349	S346-Q348 PolarHBondContact O-N 3.22Å; S346-E349 WeakPolarHBondContact CB-OE2 3.49Å; S346-E349 PolarHBondContact OG-OE2 3.5Å
347	Q	35.4	Very low	37	Very low	184 Å²	184	114.9 Å²	114.9	86%	0.86	59%	0.593	S	S	*	*	G	3₁₀ helix	trans	-74.8	-17.2	-178.9	-76.2	-164.7	-8.5	0	0	114.9	V350	Q347-V350 WeakPolarHBondContact O-CG2 3.35Å
348	Q	31.8	Very low	35.4	Very low	189 Å²	189	119.4 Å²	119.4	88%	0.883	61%	0.607	S	S	*	*	G	3₁₀ helix	trans	-84.5	-17.9	-177.3	-73.4	-174.2	-22	0	0	113.5	S346 V350	S346-Q348 PolarHBondContact O-N 3.22Å; Q348-V350 VanDerWaalsContact C-N 3.27Å; Q348-V350 PolarHBondContact O-N 2.85Å
349	E	33.3	Very low	34.1	Very low	110 Å²	110	117.1 Å²	117.1	51%	0.514	61%	0.609	S	S	.	*	G	3₁₀ helix	trans	-87.4	8.3	-179.7	-69.6	159	123.2	0	0	112.9	S346 V351	S346-E349 WeakPolarHBondContact CB-OE2 3.49Å; S346-E349 PolarHBondContact OG-OE2 3.5Å; E349-V351 PolarHBondContact O-N 2.04Å
350	V	30.5	Very low	33.2	Very low	99 Å²	99	115.6 Å²	115.6	60%	0.6	60%	0.601	S	S	*	*			trans	-79.4	54.6	-179	-168.7	0	0	0	0	111.9	Q347 Q348 R352	Q347-V350 WeakPolarHBondContact O-CG2 3.35Å; Q348-V350 VanDerWaalsContact C-N 3.27Å; Q348-V350 PolarHBondContact O-N 2.85Å; V350-R352 PolarHBondContact O-N 2.8Å
351	V	28.2	Very low	32.5	Very low	110 Å²	110	115.6 Å²	115.6	67%	0.667	60%	0.601	S	S	*	*			trans	-77.4	90	172.3	-179.4	0	0	0	0	109.6	E349 Q353	E349-V351 PolarHBondContact O-N 2.04Å; V351-Q353 HydrophobicContact CG1-CG 4.02Å; V351-Q353 PolarHBondContact O-N 2.85Å
352	R	26	Very low	32.1	Very low	234 Å²	234	116.6 Å²	116.6	88%	0.883	58%	0.584	S	S	*	*			trans	-64.5	88.6	175.1	-76.3	177.4	165	166.3	-5.1	112	V350	V350-R352 PolarHBondContact O-N 2.8Å
353	Q	30.5	Very low	31.7	Very low	154 Å²	154	119.4 Å²	119.4	72%	0.72	59%	0.589	S	S	*	*			trans	-123.4	59.6	173.4	-75.6	-163.7	-3.4	0	0	115	V351 Y355	V351-Q353 HydrophobicContact CG1-CG 4.02Å; V351-Q353 PolarHBondContact O-N 2.85Å; Q353-Y355 PolarHBondContact O-N 3.42Å
354	R	29.4	Very low	31.3	Very low	231 Å²	231	121.1 Å²	121.1	87%	0.872	61%	0.606	S	S	*	*	S	Bend	trans	52.8	-17.7	150	-88.9	-177.5	171.7	160.1	-0.4	122.2
355	Y	29.8	Very low	31.2	Very low	177 Å²	177	123.8 Å²	123.8	69%	0.694	63%	0.625	S	S	*	*	S	Bend	trans	-138.8	139.6	-176.4	-60.1	-78.9	0	0	0	110.8	Q353	Q353-Y355 PolarHBondContact O-N 3.42Å
356	S	31.4	Very low	31.2	Very low	119 Å²	119	126.6 Å²	126.6	83%	0.832	64%	0.641	S	S	*	*			trans	66.5	153.8	-165.6	83.3	0	0	0	0	115
357	S	26.7	Very low	31.4	Very low	70 Å²	70	129.6 Å²	129.6	49%	0.49	66%	0.659	S	S	.	*			trans	-137.7	67	-169.3	66.2	0	0	0	0	111.9
358	F	30.1	Very low	31.4	Very low	130 Å²	130	127.5 Å²	127.5	57%	0.57	66%	0.659	S	S	*	*			trans	-137.6	145.4	174.2	-65.3	-71.6	0	0	0	110.4
359	A	29.4	Very low	31.9	Very low	54 Å²	54	127.4 Å²	127.4	45%	0.446	66%	0.658	S	S	.	*			trans	-142.7	144	-179.4	0	0	0	0	0	109.5	L345	L345-A359 HydrophobicContact CD1-CB 3.81Å; L345-A359 HydrophobicContact CD2-CB 3.8Å
360	I	32.2	Very low	32.2	Very low	51 Å²	51	127.3 Å²	127.3	26%	0.262	67%	0.669	S	S	.	*			trans	-130.6	127.8	-168.1	-68	169.5	0	0	0	110	N281 Y283	N281-I360 HydrophobicContact CB-CD1 3.43Å; N281-I360 VanDerWaalsContact CB-CD1 3.43Å; N281-I360 WeakPolarHBondContact O-CD1 3.05Å; Y283-I360 HydrophobicContact CD2-CD1 4.39Å; Y283-I360 HydrophobicContact CD2-CG2 3.66Å; Y283-I360 HydrophobicContact CE2-CG2 3.53Å
361	P	31	Very low	32.7	Very low	22 Å²	22	128.9 Å²	128.9	14%	0.143	68%	0.679	C	S	.	*			trans	-101.2	151.9	-177.4	36.1	-33.2	0	0	0	114.1	L343 P344 L345	L343-P361 HydrophobicContact CB-CG 4.35Å; L343-P361 HydrophobicContact CD2-CG 3.7Å; P344-P361 HydrophobicContact CB-CB 4.5Å; P344-P361 HydrophobicContact CG-CB 3.85Å; P344-P361 HydrophobicContact CG-CG 4.19Å; P344-P361 WeakPolarHBondContact O-CB 3.23Å; L345-P361 HydrophobicContact CD2-CB 3.9Å; L345-P361 HydrophobicContact CD2-CG 4.41Å; L345-P361 HydrophobicContact CG-CB 4.22Å
362	K	31.2	Very low	33.4	Very low	131 Å²	131	129.7 Å²	129.7	57%	0.57	69%	0.687	S	S	*	*			trans	-130.4	128	169.4	-73.7	-178.7	176.5	177	0	111.7
363	H	34.5	Very low	34.3	Very low	178 Å²	178	123 Å²	123	82%	0.824	68%	0.681	S	S	*	*			trans	67.5	132.1	179.6	-62.1	-73.9	0	0	0	117.7
364	C	29.4	Very low	35	Very low	104 Å²	104	121.1 Å²	121.1	70%	0.703	68%	0.683	S	S	*	*			trans	-99.3	129.3	162.3	-56.1	0	0	0	0	109.2
365	S	35.5	Very low	35.8	Very low	108 Å²	108	115.7 Å²	115.7	76%	0.755	68%	0.677	S	S	*	*			trans	-161	151.1	148.6	-100.3	0	0	0	0	110.3
366	D	34.4	Very low	36.2	Very low	154 Å²	154	114.2 Å²	114.2	82%	0.824	69%	0.687	S	S	*	*			trans	70.6	149.9	164.7	-56.1	-25.7	0	0	0	119.7
367	P	38.2	Very low	36.7	Very low	112 Å²	112	115.6 Å²	115.6	73%	0.727	68%	0.683	S	S	*	*			trans	-111.9	151.8	-151.5	8.7	15.4	0	0	0	115.7
368	V	35.6	Very low	37.4	Very low	141 Å²	141	120.3 Å²	120.3	86%	0.855	70%	0.697	S	S	*	*			trans	8.4	111.4	152.1	-171.5	0	0	0	0	117
369	H	42.7	Very low	37.8	Very low	187 Å²	187	120.4 Å²	120.4	87%	0.866	71%	0.711	S	S	*	*			trans	-123	135.5	153.7	-122.4	-64.5	0	0	0	109.9
370	S	38.9	Very low	37.8	Very low	108 Å²	108	124.1 Å²	124.1	76%	0.755	72%	0.723	S	S	*	*			trans	-91.4	141.6	-176.7	46.4	0	0	0	0	112.9
371	T	41.2	Very low	38	Very low	132 Å²	132	126.5 Å²	126.5	81%	0.81	74%	0.742	S	S	*	*			trans	-138.4	159	173.7	33.1	0	0	0	0	110.9
372	P	44.1	Very low	38.1	Very low	127 Å²	127	131.5 Å²	131.5	83%	0.825	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-83.3	172.7	-147.2	-17.4	34	0	0	0	117.2
373	A	45	Very low	38.1	Very low	93 Å²	93	131.7 Å²	131.7	77%	0.769	78%	0.78	S	S	*	*	P	Polyproline II helix	trans	-63.2	147.2	-179.5	0	0	0	0	0	113.7
374	P	45.1	Very low	38.5	Very low	115 Å²	115	128.8 Å²	128.8	75%	0.747	77%	0.765	S	S	*	*	P	Polyproline II helix	trans	-73.7	152.6	179	31.2	-35.9	0	0	0	112.7
375	P	44.6	Very low	39	Very low	116 Å²	116	127.8 Å²	127.8	75%	0.753	76%	0.76	S	S	*	*	P	Polyproline II helix	trans	-70.9	155.4	177.6	30.6	-35.8	0	0	0	112.7	I377	P375-I377 PolarHBondContact O-N 3.21Å
376	T	39.6	Very low	40	Very low	146 Å²	146	124 Å²	124	90%	0.896	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-65.2	117.7	-178.2	-45.6	0	0	0	0	112.1
377	I	40.9	Very low	41.2	Very low	148 Å²	148	119.7 Å²	119.7	76%	0.759	71%	0.711	S	S	*	*	P	Polyproline II helix	trans	-82.3	128.6	178.7	-64.7	172	0	0	0	109.8	P375	P375-I377 PolarHBondContact O-N 3.21Å
378	Q	42.6	Very low	43.1	Very low	169 Å²	169	116.7 Å²	116.7	79%	0.79	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-73.5	149.5	170.5	-65.6	-177.9	-0.6	0	0	110.7	L380	Q378-L380 PolarHBondContact O-N 2.87Å
379	P	38.2	Very low	45.7	Very low	133 Å²	133	110.8 Å²	110.8	86%	0.864	65%	0.654	S	S	*	*			trans	-61.8	112.8	178.5	-20.8	32.9	0	0	0	111.4
380	L	29.8	Very low	48.1	Very low	131 Å²	131	101.9 Å²	101.9	69%	0.686	61%	0.612	S	S	*	*			trans	-65.5	146.6	164.8	-72	168.4	0	0	0	109.1	Q378	Q378-L380 PolarHBondContact O-N 2.87Å
381	P	34.9	Very low	50.5	Low	101 Å²	101	99.6 Å²	99.6	66%	0.656	59%	0.594	S	S	*	*			trans	-58.2	150.7	169.8	27.2	-34.8	0	0	0	110	I383	P381-I383 PolarHBondContact O-N 2.87Å
382	P	34.6	Very low	52.8	Low	128 Å²	128	94.5 Å²	94.5	83%	0.831	56%	0.564	S	S	*	*			trans	-59.8	109.5	-174.1	23.9	-34	0	0	0	110.8	K384	P382-K384 PolarHBondContact O-N 3Å; P382-K384 VanDerWaalsContact O-N 3.11Å
383	I	30.2	Very low	54.8	Low	135 Å²	135	96.4 Å²	96.4	69%	0.692	56%	0.555	S	S	*	*			trans	-65.9	111.6	177.2	-60.1	174.4	0	0	0	107.4	P381 S385	P381-I383 PolarHBondContact O-N 2.87Å; I383-S385 PolarHBondContact O-N 2.97Å
384	K	42.5	Very low	56.8	Low	116 Å²	116	94.4 Å²	94.4	50%	0.504	53%	0.527	S	S	.	.			trans	-57.2	100.9	166.6	-73.7	-171.2	179.7	177.9	0	107.7	P382 Y386 D608	P382-K384 PolarHBondContact O-N 3Å; P382-K384 VanDerWaalsContact O-N 3.11Å; K384-Y386 HydrophobicContact CB-CD2 4.04Å; K384-Y386 HydrophobicContact CB-CE2 3.89Å; K384-Y386 HydrophobicContact CD-CD2 4.46Å; K384-Y386 HydrophobicContact CD-CE2 3.58Å; K384-Y386 HydrophobicContact CG-CE2 4.35Å; K384-Y386 PolarHBondContact O-N 3.43Å; K384-D608 IonicContact NZ-OD1 2.76Å; K384-D608 IonicContact NZ-OD2 2.91Å; K384-D608 PolarHBondContact NZ-OD2 2.62Å
385	S	40.9	Very low	58.7	Low	84 Å²	84	98.4 Å²	98.4	59%	0.587	53%	0.528	S	S	*	.			trans	-80.5	56.5	-167.7	-165.1	0	0	0	0	112.9	I383 S387	I383-S385 PolarHBondContact O-N 2.97Å; S385-S387 PolarHBondContact O-N 3.44Å
386	Y	56.4	Low	60.3	Low	27 Å²	27	93.3 Å²	93.3	11%	0.106	49%	0.494	C	S	.	.			trans	-75	38.8	173.7	-58.8	-45.2	0	0	0	112.1	K384 N388 C526 Y611	K384-Y386 HydrophobicContact CB-CD2 4.04Å; K384-Y386 HydrophobicContact CB-CE2 3.89Å; K384-Y386 HydrophobicContact CD-CD2 4.46Å; K384-Y386 HydrophobicContact CD-CE2 3.58Å; K384-Y386 HydrophobicContact CG-CE2 4.35Å; K384-Y386 PolarHBondContact O-N 3.43Å; Y386-N388 VanDerWaalsContact C-N 3.28Å; Y386-N388 PolarHBondContact O-N 3.47Å; Y386-C526 HydrophobicContact CD1-CB 3.86Å; Y386-C526 VanDerWaalsContact CD1-SG 3.55Å; Y386-C526 HydrophobicContact CE1-CB 3.97Å; Y386-Y611 AromaticContact CD2-CD2 3.76Å; Y386-Y611 HydrophobicContact CD2-CD2 3.76Å; Y386-Y611 HydrophobicContact CD2-CE2 4.23Å; Y386-Y611 HydrophobicContact CD2-CG 4.08Å; Y386-Y611 HydrophobicContact CG-CD2 4.32Å; Y386-Y611 HydrophobicContact CG-CG 4.32Å; Y386-Y611 WeakPolarHBondContact O-CE1 3.36Å; Y386-Y611 PolarHBondContact O-OH 3.06Å
387	S	58.7	Low	61.9	Low	64 Å²	64	89.5 Å²	89.5	45%	0.448	47%	0.466	S	S	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-26	-167.8	54.5	0	0	0	0	114.1	S385 P440	S385-S387 PolarHBondContact O-N 3.44Å; S387-P440 WeakPolarHBondContact OG-CB 3.21Å
388	N	78.1	Confident	62.9	Low	50 Å²	50	86.3 Å²	86.3	27%	0.267	45%	0.453	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.1	40.7	-177.9	-69.6	-60.2	0	0	0	113.1	Y386 P440 P524	Y386-N388 VanDerWaalsContact C-N 3.28Å; Y386-N388 PolarHBondContact O-N 3.47Å; N388-P440 PolarHBondContact ND2-O 2.82Å; N388-P524 VanDerWaalsContact O-CG 3.29Å; N388-P524 WeakPolarHBondContact O-CG 3.2Å
389	C	91.7	Very high	63.5	Low	17 Å²	17	85.2 Å²	85.2	12%	0.115	45%	0.452	C	S	.	.	S	Bend	trans	-142.1	166.4	171.8	65.1	0	0	0	0	111.6	T391 P524 C526 Y611	C389-T391 PolarHBondContact O-N 2.85Å; C389-P524 CarbonylContact C-O 3.52Å; C389-P524 WeakPolarHBondContact CA-O 3.38Å; C389-P524 HydrophobicContact CB-CG 4.3Å; C389-C526 HydrophobicContact CB-CB 4.04Å; C389-C526 WeakPolarHBondContact CB-SG 3.5Å; C389-C526 PolarHBondContact O-SG 3.42Å; C389-C526 VanDerWaalsContact O-SG 3.33Å; C389-C526 WeakPolarHBondContact SG-CA 3.35Å; C389-C526 WeakPolarHBondContact SG-CB 3.33Å; C389-C526 CovalentContact SG-SG 2.05Å; C389-C526 PolarHBondContact SG-SG 2.65Å; C389-Y611 WeakPolarHBondContact O-CD1 3.16Å
390	G	91.5	Very high	64	Low	0 Å²	0	82.1 Å²	82.1	0%	0	43%	0.434	C	S	.	.	S	Bend	trans	63.3	14	167.6	0	0	0	0	0	115.3	P524 C526 W612	G390-P524 PolarHBondContact N-O 3.37Å; G390-C526 PolarHBondContact N-SG 3.47Å; G390-C526 VanDerWaalsContact N-SG 3.41Å; G390-W612 VanDerWaalsContact CA-O 3.3Å; G390-W612 WeakPolarHBondContact CA-O 3.33Å; G390-W612 PolarHBondContact O-N 3.45Å
391	T	90.5	Very high	64.7	Low	60 Å²	60	79.7 Å²	79.7	37%	0.368	43%	0.426	S	S	.	.			trans	-106.7	143.4	176.4	58.4	0	0	0	0	109.8	C389 Y611	C389-T391 PolarHBondContact O-N 2.85Å; T391-Y611 HydrophobicContact CG2-CD1 3.77Å; T391-Y611 HydrophobicContact CG2-CE1 3.7Å
392	S	88.7	Confident	65.1	Low	25 Å²	25	83 Å²	83	18%	0.175	43%	0.43	C	S	.	.			trans	-128.6	134.9	175.9	-177.6	0	0	0	0	109.6	Y394 S416 P418	S392-Y394 PolarHBondContact OG-O 3.49Å; S392-S416 WeakPolarHBondContact CB-O 3.09Å; S392-S416 PolarHBondContact OG-O 3.28Å; S392-P418 VanDerWaalsContact OG-CD 3.27Å; S392-P418 WeakPolarHBondContact OG-CD 3.36Å
393	W	86.8	Confident	65.5	Low	167 Å²	167	84 Å²	84	63%	0.633	43%	0.428	S	S	*	.	S	Bend	trans	-69.3	-44.7	177.5	-175.4	-81.9	0	0	0	110.8	K520	W393-K520 HydrophobicContact CB-CB 4.12Å; W393-K520 HydrophobicContact CB-CG 4.39Å; W393-K520 HydrophobicContact CD2-CD 4.06Å; W393-K520 HydrophobicContact CD2-CG 3.86Å; W393-K520 HydrophobicContact CE3-CG 4.26Å; W393-K520 HydrophobicContact CG-CB 4.06Å; W393-K520 HydrophobicContact CG-CD 4.07Å; W393-K520 HydrophobicContact CG-CG 3.87Å
394	Y	86.4	Confident	65.6	Low	51 Å²	51	84.6 Å²	84.6	20%	0.2	43%	0.433	C	S	.	.	S	Bend	trans	-92.9	111.1	177.2	-56.4	-82.4	0	0	0	108.4	S392 P396 H415 S416 K520 T521	S392-Y394 PolarHBondContact OG-O 3.49Å; Y394-P396 WeakPolarHBondContact O-CD 3.39Å; Y394-H415 HydrophobicContact CD2-CB 4.01Å; Y394-H415 HydrophobicContact CE2-CB 4.33Å; Y394-S416 WeakPolarHBondContact O-CA 3.48Å; Y394-S416 WeakPolarHBondContact O-CB 3.06Å; Y394-K520 HydrophobicContact CE2-CB 3.89Å; Y394-K520 HydrophobicContact CE2-CD 4.47Å; Y394-T521 HydrophobicContact CE2-CG2 4.22Å
395	R	84.4	Confident	65.1	Low	199 Å²	199	89.2 Å²	89.2	75%	0.751	45%	0.447	S	S	*	.			trans	-66.5	129	-175.2	-65	-175.5	178	-165	-0.2	111.2	R413	R395-R413 WeakPolarHBondContact O-CD 3.41Å; R395-R413 PolarHBondContact O-NE 2.99Å
396	P	79.1	Confident	65.2	Low	8 Å²	8	91.6 Å²	91.6	5%	0.052	45%	0.452	C	S	.	.			trans	-55	157.7	171.1	-27.4	35.4	0	0	0	112.4	Y394 V398 S416 L417 L541 W612	Y394-P396 WeakPolarHBondContact O-CD 3.39Å; P396-V398 PolarHBondContact O-N 3.17Å; P396-S416 WeakPolarHBondContact CG-O 3.47Å; P396-L417 HydrophobicContact CB-CD2 4.2Å; P396-L417 HydrophobicContact CG-CD2 3.65Å; P396-L417 HydrophobicContact CG-CG 4.44Å; P396-L541 HydrophobicContact CB-CD1 4.12Å; P396-W612 HydrophobicContact CB-CZ2 4.38Å; P396-W612 HydrophobicContact CG-CZ2 4.03Å
397	F	72.7	Confident	64.9	Low	67 Å²	67	95 Å²	95	29%	0.294	47%	0.471	S	S	.	.			trans	-72	90.3	175.2	-68.2	-58.4	0	0	0	110.6	I410 R413 Q557 Y559	F397-I410 HydrophobicContact CB-CD1 4.05Å; F397-R413 HydrophobicContact CD2-CB 4.04Å; F397-R413 HydrophobicContact CE1-CB 4.38Å; F397-R413 HydrophobicContact CE2-CB 3.64Å; F397-R413 HydrophobicContact CZ-CB 3.83Å; F397-R413 HydrophobicContact CZ-CG 4.29Å; F397-Q557 PolarHBondContact O-NE2 2.79Å; F397-Y559 VanDerWaalsContact O-CE2 3.29Å; F397-Y559 WeakPolarHBondContact O-CE2 3.24Å; F397-Y559 PolarHBondContact O-OH 2.03Å
398	V	61.5	Low	64.7	Low	81 Å²	81	93 Å²	93	49%	0.491	46%	0.46	S	S	.	.			trans	-85.6	138.5	166	-71	0	0	0	0	109.8	P396 Y559 W612	P396-V398 PolarHBondContact O-N 3.17Å; V398-Y559 WeakPolarHBondContact CA-OH 3.35Å; V398-Y559 WeakPolarHBondContact CG1-OH 3.5Å; V398-W612 HydrophobicContact CG1-CH2 4.49Å
399	N	55.9	Low	64.1	Low	145 Å²	145	91.2 Å²	91.2	78%	0.775	45%	0.453	S	S	*	.			trans	78.6	137	-162.2	-48	-26.9	0	0	0	112.9
400	S	48.4	Very low	63.1	Low	68 Å²	68	93.4 Å²	93.4	48%	0.476	46%	0.463	S	S	.	.			cis	-147.7	150.6	0.7	-169.8	0	0	0	0	110.1	F402	S400-F402 PolarHBondContact O-N 2.9Å
401	P	44.8	Very low	62.2	Low	80 Å²	80	96.4 Å²	96.4	52%	0.519	48%	0.479	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64.7	5	-169.2	-25.1	35.9	0	0	0	118.6	R593	P401-R593 PolarHBondContact O-NH1 3.43Å
402	F	42.9	Very low	61.7	Low	171 Å²	171	93.7 Å²	93.7	75%	0.75	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-111.9	1.7	-158.4	-69.6	-83.4	0	0	0	116.1	S400	S400-F402 PolarHBondContact O-N 2.9Å
403	L	42.9	Very low	61.3	Low	149 Å²	149	96.7 Å²	96.7	78%	0.78	47%	0.47	S	S	*	.			trans	-101.9	103.9	-176.3	-67.2	177.8	0	0	0	112.1
404	N	32	Very low	61.1	Low	148 Å²	148	91.7 Å²	91.7	79%	0.791	46%	0.459	S	S	*	.			trans	-82.8	116.2	-177.2	-75.3	-38.5	0	0	0	113.4
405	R	32.1	Very low	61	Low	213 Å²	213	91 Å²	91	80%	0.804	46%	0.457	S	S	*	.			trans	-167.5	150.9	130.4	-118.9	172.6	173.9	158.3	-1.3	112.7
406	I	43.9	Very low	61.2	Low	134 Å²	134	81.5 Å²	81.5	69%	0.687	42%	0.421	S	S	*	.	S	Bend	trans	62.2	78	174	-47.8	176.4	0	0	0	113.4	G408 G409	I406-G408 PolarHBondContact O-N 2.64Å; I406-G409 PolarHBondContact O-N 3.05Å
407	I	49.1	Very low	61.7	Low	99 Å²	99	81.2 Å²	81.2	51%	0.508	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	42.4	36.6	178.7	-43.9	-170.6	0	0	0	112.7	G409 G592 R593	I407-G409 VanDerWaalsContact C-N 3.27Å; I407-G409 PolarHBondContact O-N 2.93Å; I407-G409 VanDerWaalsContact O-N 3.11Å; I407-G592 CarbonylContact C-O 3.47Å; I407-G592 WeakPolarHBondContact CA-O 3.11Å; I407-G592 WeakPolarHBondContact CG2-O 3.42Å; I407-R593 WeakPolarHBondContact O-CA 3.38Å
408	G	55.9	Low	62.7	Low	22 Å²	22	78.2 Å²	78.2	23%	0.227	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.4	14.5	171	0	0	0	0	0	118.2	I406 R593	I406-G408 PolarHBondContact O-N 2.64Å; G408-R593 VanDerWaalsContact CA-CG 3.49Å
409	G	64.2	Low	64.2	Low	11 Å²	11	74.3 Å²	74.3	11%	0.113	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78	162.4	162.9	0	0	0	0	0	112.2	I406 I407	I406-G409 PolarHBondContact O-N 3.05Å; I407-G409 VanDerWaalsContact C-N 3.27Å; I407-G409 PolarHBondContact O-N 2.93Å; I407-G409 VanDerWaalsContact O-N 3.11Å
410	I	72	Confident	66.1	Low	64 Å²	64	67.9 Å²	67.9	33%	0.328	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	159.4	170.1	65.6	175.5	0	0	0	110.2	F397 M556 Q557	F397-I410 HydrophobicContact CB-CD1 4.05Å; I410-M556 CarbonylContact O-C 3.4Å; I410-M556 WeakPolarHBondContact O-CA 3.25Å; I410-Q557 HydrophobicContact CD1-CG 4.38Å; I410-Q557 HydrophobicContact CG1-CG 3.75Å; I410-Q557 PolarHBondContact N-O 3.26Å; I410-Q557 PolarHBondContact O-N 3.02Å
411	D	72.9	Confident	68.3	Low	63 Å²	63	64.8 Å²	64.8	34%	0.337	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.6	135.6	171	-163	-2.4	0	0	0	110.2	H475 H554 M556	D411-H475 IonicContact OD1-CE1 3.21Å; D411-H475 PolarHBondContact OD1-CE1 2.86Å; D411-H554 IonicContact OD1-CG 3.36Å; D411-H554 IonicContact OD1-ND1 3.5Å; D411-H554 PolarHBondContact OD1-ND1 3.28Å; D411-H554 IonicContact OD2-CE1 3.45Å; D411-H554 PolarHBondContact OD2-CE1 2.88Å; D411-H554 IonicContact OD2-CG 3.98Å; D411-H554 IonicContact OD2-ND1 2.71Å; D411-H554 PolarHBondContact OD2-ND1 3.19Å; D411-M556 HydrophobicContact CB-SD 4.15Å
412	S	78.6	Confident	70.6	Confident	2 Å²	2	61.1 Å²	61.1	1%	0.014	30%	0.304	C	S	.	.	P	Polyproline II helix	trans	-74.3	153.5	177.4	72.2	0	0	0	0	110.5	H475 L555	S412-H475 PolarHBondContact O-CE1 3.02Å; S412-H475 PolarHBondContact OG-ND1 3.1Å; S412-L555 WeakPolarHBondContact CB-O 3.48Å; S412-L555 PolarHBondContact N-O 3.36Å; S412-L555 PolarHBondContact OG-O 3.31Å
413	R	80.9	Confident	73.1	Confident	89 Å²	89	53 Å²	53	34%	0.336	27%	0.268	S	S	.	.	P	Polyproline II helix	trans	-64.1	133.2	166.9	-178.3	-175.6	-58.5	-147.3	7.1	107.7	R395 F397 H415 S416	R395-R413 WeakPolarHBondContact O-CD 3.41Å; R395-R413 PolarHBondContact O-NE 2.99Å; F397-R413 HydrophobicContact CD2-CB 4.04Å; F397-R413 HydrophobicContact CE1-CB 4.38Å; F397-R413 HydrophobicContact CE2-CB 3.64Å; F397-R413 HydrophobicContact CZ-CB 3.83Å; F397-R413 HydrophobicContact CZ-CG 4.29Å; R413-H415 PolarHBondContact O-N 2.93Å; R413-S416 PolarHBondContact N-OG 3.24Å; R413-S416 WeakPolarHBondContact O-CB 3.29Å; R413-S416 PolarHBondContact O-N 3.5Å; R413-S416 PolarHBondContact O-OG 3.41Å
414	P	81.8	Confident	75.5	Confident	62 Å²	62	46.2 Å²	46.2	40%	0.403	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-47.1	129.3	179.3	-31.1	34	0	0	0	113.1	S416 H475	P414-S416 PolarHBondContact O-N 3.47Å; P414-H475 HydrophobicContact CB-CB 4.44Å
415	H	84.8	Confident	78.3	Confident	35 Å²	35	40.1 Å²	40.1	16%	0.162	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	52.9	19.6	-176.7	-38.7	-72.8	0	0	0	116.1	Y394 R413 L417 G473 E481 T521	Y394-H415 HydrophobicContact CD2-CB 4.01Å; Y394-H415 HydrophobicContact CE2-CB 4.33Å; R413-H415 PolarHBondContact O-N 2.93Å; H415-L417 VanDerWaalsContact C-N 3.3Å; H415-L417 PolarHBondContact O-N 3.42Å; H415-G473 PolarHBondContact CE1-O 2.89Å; H415-G473 PolarHBondContact ND1-O 3Å; H415-E481 IonicContact CE1-OE2 2.74Å; H415-E481 PolarHBondContact CE1-OE2 3.41Å; H415-T521 HydrophobicContact CB-CG2 3.61Å; H415-T521 VanDerWaalsContact CG-CG2 3.4Å
416	S	87.6	Confident	81	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.191	C	C	.	.	S	Bend	trans	-76.7	-14.4	-178.1	64.2	0	0	0	0	115.2	S392 Y394 P396 R413 P414 P418	S392-S416 WeakPolarHBondContact CB-O 3.09Å; S392-S416 PolarHBondContact OG-O 3.28Å; Y394-S416 WeakPolarHBondContact O-CA 3.48Å; Y394-S416 WeakPolarHBondContact O-CB 3.06Å; P396-S416 WeakPolarHBondContact CG-O 3.47Å; R413-S416 PolarHBondContact N-OG 3.24Å; R413-S416 WeakPolarHBondContact O-CB 3.29Å; R413-S416 PolarHBondContact O-N 3.5Å; R413-S416 PolarHBondContact O-OG 3.41Å; P414-S416 PolarHBondContact O-N 3.47Å; S416-P418 WeakPolarHBondContact O-CD 3.46Å
417	L	91	Very high	82.8	Confident	3 Å²	3	39.4 Å²	39.4	2%	0.016	20%	0.195	C	C	.	.	S	Bend	trans	-119	59.8	179.1	-58	167.2	0	0	0	109.2	P396 H415 W419 S420 L541 P543 L555 Q557	P396-L417 HydrophobicContact CB-CD2 4.2Å; P396-L417 HydrophobicContact CG-CD2 3.65Å; P396-L417 HydrophobicContact CG-CG 4.44Å; H415-L417 VanDerWaalsContact C-N 3.3Å; H415-L417 PolarHBondContact O-N 3.42Å; L417-W419 HydrophobicContact CB-CZ2 4.46Å; L417-W419 HydrophobicContact CD2-CZ2 3.73Å; L417-W419 PolarHBondContact O-N 3.27Å; L417-S420 WeakPolarHBondContact O-CB 3.33Å; L417-S420 PolarHBondContact O-N 3.49Å; L417-S420 PolarHBondContact O-OG 3.16Å; L417-L541 HydrophobicContact CD2-CD1 4.25Å; L417-P543 HydrophobicContact CD1-CB 3.81Å; L417-L555 HydrophobicContact CB-CD2 4.11Å; L417-Q557 HydrophobicContact CD1-CB 4.05Å
418	P	92.6	Very high	84.7	Confident	3 Å²	3	41.4 Å²	41.4	2%	0.019	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-70.2	-0.3	-161.9	32	-41.7	0	0	0	115.8	S392 S416 T521 V522 Q523	S392-P418 VanDerWaalsContact OG-CD 3.27Å; S392-P418 WeakPolarHBondContact OG-CD 3.36Å; S416-P418 WeakPolarHBondContact O-CD 3.46Å; P418-T521 WeakPolarHBondContact CA-O 3.44Å; P418-T521 VanDerWaalsContact CB-C 3.47Å; P418-T521 VanDerWaalsContact CB-O 3.26Å; P418-T521 WeakPolarHBondContact CB-O 3.42Å; P418-V522 WeakPolarHBondContact O-CA 3.27Å; P418-Q523 CarbonylContact C-O 3.53Å; P418-Q523 HydrophobicContact CB-CB 4.22Å; P418-Q523 HydrophobicContact CG-CB 3.88Å; P418-Q523 HydrophobicContact CG-CG 4.24Å; P418-Q523 PolarHBondContact O-N 2.04Å
419	W	94.9	Very high	86.3	Confident	0 Å²	0	41.4 Å²	41.4	0%	0	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-18.7	171.7	42.7	76.8	0	0	0	113	L417 T434 L435 Q523 I525 V605 W612	L417-W419 HydrophobicContact CB-CZ2 4.46Å; L417-W419 HydrophobicContact CD2-CZ2 3.73Å; L417-W419 PolarHBondContact O-N 3.27Å; W419-T434 HydrophobicContact CB-CG2 4.29Å; W419-T434 HydrophobicContact CG-CG2 4.49Å; W419-T434 CarbonylContact O-C 3.56Å; W419-T434 WeakPolarHBondContact O-CA 3.46Å; W419-L435 PolarHBondContact O-N 3.46Å; W419-Q523 WeakPolarHBondContact CA-O 3.08Å; W419-Q523 VanDerWaalsContact CB-O 3.27Å; W419-Q523 WeakPolarHBondContact CB-O 3.48Å; W419-Q523 PolarHBondContact N-O 2.88Å; W419-I525 HydrophobicContact CB-CB 3.84Å; W419-I525 HydrophobicContact CD2-CB 4.3Å; W419-I525 HydrophobicContact CD2-CD1 3.67Å; W419-I525 HydrophobicContact CD2-CG1 4.44Å; W419-I525 HydrophobicContact CE3-CD1 3.98Å; W419-I525 HydrophobicContact CG-CB 3.88Å; W419-I525 HydrophobicContact CG-CD1 4.03Å; W419-I525 HydrophobicContact CG-CG1 4.32Å; W419-I525 HydrophobicContact CH2-CD1 4.49Å; W419-I525 HydrophobicContact CZ2-CD1 4.19Å; W419-I525 HydrophobicContact CZ3-CD1 4.38Å; W419-V605 HydrophobicContact CZ2-CG2 4.35Å; W419-W612 HydrophobicContact CH2-CB 3.78Å; W419-W612 AromaticContact CH2-CD1 3.43Å; W419-W612 VanDerWaalsContact CH2-CD1 3.43Å; W419-W612 HydrophobicContact CH2-CD2 4.44Å; W419-W612 AromaticContact CH2-CG 3.61Å; W419-W612 HydrophobicContact CH2-CG 3.61Å; W419-W612 HydrophobicContact CZ2-CB 3.99Å; W419-W612 HydrophobicContact CZ2-CD2 4.47Å; W419-W612 AromaticContact CZ2-CG 3.94Å; W419-W612 HydrophobicContact CZ2-CG 3.94Å; W419-W612 HydrophobicContact CZ3-CB 4.35Å
420	S	94	Very high	87.5	Confident	10 Å²	10	44.8 Å²	44.8	7%	0.07	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	134.1	-177.9	-43.2	0	0	0	0	109.8	L417	L417-S420 WeakPolarHBondContact O-CB 3.33Å; L417-S420 PolarHBondContact O-N 3.49Å; L417-S420 PolarHBondContact O-OG 3.16Å
421	V	94.8	Very high	88.5	Confident	2 Å²	2	42 Å²	42	1%	0.012	20%	0.196	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.7	153.9	176.3	-52.4	0	0	0	0	111.3	G432 G433 L435 V448 V470 Q471 I472	V421-G432 CarbonylContact O-C 3.34Å; V421-G432 WeakPolarHBondContact O-CA 3.29Å; V421-G433 VanDerWaalsContact CG2-C 3.49Å; V421-G433 PolarHBondContact N-O 2.82Å; V421-G433 PolarHBondContact O-N 2.95Å; V421-L435 HydrophobicContact CG1-CD2 4.17Å; V421-L435 HydrophobicContact CG1-CG 3.8Å; V421-V448 HydrophobicContact CG2-CG1 3.7Å; V421-V448 HydrophobicContact CG2-CG2 4.12Å; V421-V470 HydrophobicContact CB-CG1 3.61Å; V421-V470 HydrophobicContact CG1-CG1 4.28Å; V421-V470 HydrophobicContact CG2-CG1 3.56Å; V421-Q471 WeakPolarHBondContact CA-O 3.44Å; V421-I472 HydrophobicContact CB-CG1 4.3Å; V421-I472 HydrophobicContact CG1-CB 4.19Å; V421-I472 HydrophobicContact CG1-CG1 3.66Å; V421-I472 HydrophobicContact CG1-CG2 4.22Å
422	S	94	Very high	89.4	Confident	3 Å²	3	39.2 Å²	39.2	2%	0.021	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	110.1	176	169.7	0	0	0	0	108.3	Q424 H429 V470 Q471	S422-Q424 PolarHBondContact OG-NE2 3.49Å; S422-H429 PolarHBondContact OG-ND1 2.95Å; S422-V470 CarbonylContact O-C 3.55Å; S422-V470 WeakPolarHBondContact O-CA 3.33Å; S422-Q471 PolarHBondContact N-O 2.97Å; S422-Q471 PolarHBondContact O-N 3.1Å
423	V	94.9	Very high	90.3	Very high	1 Å²	1	39.1 Å²	39.1	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	122.8	172.8	-175.8	0	0	0	0	107.6	Q430 C431 M468 I510	V423-Q430 PolarHBondContact O-N 2.83Å; V423-C431 WeakPolarHBondContact CA-O 3.11Å; V423-C431 HydrophobicContact CB-CB 4.3Å; V423-C431 WeakPolarHBondContact CB-O 3.42Å; V423-C431 PolarHBondContact N-O 3.27Å; V423-C431 PolarHBondContact O-N 2.86Å; V423-M468 HydrophobicContact CG1-CE 3.74Å; V423-I510 HydrophobicContact CG1-CD1 3.88Å; V423-I510 HydrophobicContact CG2-CD1 4.07Å
424	Q	93	Very high	91	Very high	7 Å²	7	34.9 Å²	34.9	3%	0.033	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	145.3	-170.5	-65.1	179.8	-22.9	0	0	111.5	S422 Q428 M468 N469	S422-Q424 PolarHBondContact OG-NE2 3.49Å; Q424-Q428 CarbonylContact C-O 3.48Å; Q424-Q428 WeakPolarHBondContact CA-O 3.12Å; Q424-Q428 VanDerWaalsContact CB-O 3.23Å; Q424-Q428 WeakPolarHBondContact CB-O 3.5Å; Q424-M468 VanDerWaalsContact O-CA 3.23Å; Q424-M468 WeakPolarHBondContact O-CA 3.11Å; Q424-N469 WeakPolarHBondContact CA-O 3.47Å; Q424-N469 WeakPolarHBondContact CB-O 3.4Å; Q424-N469 PolarHBondContact N-O 3.12Å; Q424-N469 PolarHBondContact O-N 3.24Å; Q424-N469 PolarHBondContact OE1-ND2 3.01Å
425	S	91	Very high	91.7	Very high	20 Å²	20	32 Å²	32	14%	0.14	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	135.4	162.3	-172.2	0	0	0	0	108.8	R427 Q428	S425-R427 PolarHBondContact O-N 2.87Å; S425-Q428 PolarHBondContact N-O 3.26Å; S425-Q428 PolarHBondContact O-N 2.85Å
426	H	88.1	Confident	92.2	Very high	125 Å²	125	30.3 Å²	30.3	58%	0.579	14%	0.138	S	C	*	.	T	Hydrogen-bonded Turn	trans	48.9	31.7	-173.8	-44.1	-70.8	0	0	0	114	Q428 E467	H426-Q428 VanDerWaalsContact C-N 3.25Å; H426-Q428 PolarHBondContact O-N 2.87Å; H426-E467 VanDerWaalsContact CE1-CD 3.45Å; H426-E467 IonicContact CE1-OE1 3.75Å; H426-E467 PolarHBondContact CE1-OE1 2.87Å; H426-E467 IonicContact CE1-OE2 2.6Å; H426-E467 PolarHBondContact CE1-OE2 3.08Å; H426-E467 PolarHBondContact N-O 2.92Å; H426-E467 IonicContact ND1-OE1 2.59Å
427	R	82.9	Confident	92.1	Very high	207 Å²	207	32 Å²	32	78%	0.781	15%	0.146	S	C	*	.	T	Hydrogen-bonded Turn	trans	67.1	6.4	-172.7	-45.1	179.3	-177.5	-161.4	0.4	116.6	S425 N469	S425-R427 PolarHBondContact O-N 2.87Å; R427-N469 PolarHBondContact N-OD1 3.4Å
428	Q	87.9	Confident	91.6	Very high	140 Å²	140	35 Å²	35	65%	0.654	16%	0.159	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-91.9	141.9	169.6	-62	-174.6	2.3	0	0	109.6	Q424 S425 H426	Q424-Q428 CarbonylContact C-O 3.48Å; Q424-Q428 WeakPolarHBondContact CA-O 3.12Å; Q424-Q428 VanDerWaalsContact CB-O 3.23Å; Q424-Q428 WeakPolarHBondContact CB-O 3.5Å; S425-Q428 PolarHBondContact N-O 3.26Å; S425-Q428 PolarHBondContact O-N 2.85Å; H426-Q428 VanDerWaalsContact C-N 3.25Å; H426-Q428 PolarHBondContact O-N 2.87Å
429	H	90.2	Very high	90.9	Very high	23 Å²	23	38 Å²	38	11%	0.106	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.5	140.9	174.8	-173.8	80.3	0	0	0	111	S422 C431 L477 I545 A547 G598	S422-H429 PolarHBondContact OG-ND1 2.95Å; H429-C431 PolarHBondContact CE1-O 3.24Å; H429-L477 HydrophobicContact CB-CD1 3.9Å; H429-I545 VanDerWaalsContact CE1-CG2 3.46Å; H429-I545 WeakPolarHBondContact CE1-CG2 3.14Å; H429-A547 HydrophobicContact CB-CB 3.87Å; H429-A547 WeakPolarHBondContact CD2-CB 3.35Å; H429-G598 PolarHBondContact NE2-O 3.3Å; H429-G598 VanDerWaalsContact NE2-O 3.11Å
430	Q	89.3	Confident	89.8	Confident	81 Å²	81	40.5 Å²	40.5	38%	0.379	19%	0.192	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	-42.2	177.1	-66.7	-69.6	-86.9	0	0	111.5	V423	V423-Q430 PolarHBondContact O-N 2.83Å
431	C	93.1	Very high	88.7	Confident	7 Å²	7	45.9 Å²	45.9	5%	0.047	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-149.6	156.1	-179.3	-79.4	0	0	0	0	111.8	V423 H429 C454 S600	V423-C431 WeakPolarHBondContact CA-O 3.11Å; V423-C431 HydrophobicContact CB-CB 4.3Å; V423-C431 WeakPolarHBondContact CB-O 3.42Å; V423-C431 PolarHBondContact N-O 3.27Å; V423-C431 PolarHBondContact O-N 2.86Å; H429-C431 PolarHBondContact CE1-O 3.24Å; C431-C454 HydrophobicContact CB-CB 3.63Å; C431-C454 WeakPolarHBondContact CB-SG 3.11Å; C431-C454 VanDerWaalsContact SG-CA 3.57Å; C431-C454 WeakPolarHBondContact SG-CB 3.36Å; C431-C454 CovalentContact SG-SG 2.03Å; C431-C454 PolarHBondContact SG-SG 3.25Å; C431-S600 CarbonylContact C-O 3.56Å; C431-S600 WeakPolarHBondContact CA-O 3.07Å; C431-S600 WeakPolarHBondContact CB-O 3.43Å; C431-S600 VanDerWaalsContact SG-CB 3.56Å
432	G	92.9	Very high	87.6	Confident	3 Å²	3	46.4 Å²	46.4	3%	0.031	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-70.2	173.6	159.2	0	0	0	0	0	113.5	V421 T450 G598 S600 G601	V421-G432 CarbonylContact O-C 3.34Å; V421-G432 WeakPolarHBondContact O-CA 3.29Å; G432-T450 PolarHBondContact O-OG1 2.85Å; G432-G598 PolarHBondContact N-O 2.99Å; G432-S600 PolarHBondContact N-O 2.97Å; G432-G601 VanDerWaalsContact C-C 3.5Å; G432-G601 CarbonylContact C-O 3.6Å; G432-G601 CarbonylContact O-C 3.11Å; G432-G601 VanDerWaalsContact O-C 3.28Å
433	G	95.9	Very high	87	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.01	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-171	-178.1	173.3	0	0	0	0	0	111.5	V421 L449 G601	V421-G433 VanDerWaalsContact CG2-C 3.49Å; V421-G433 PolarHBondContact N-O 2.82Å; V421-G433 PolarHBondContact O-N 2.95Å; G433-L449 CarbonylContact C-O 3.58Å; G433-L449 WeakPolarHBondContact CA-O 3.37Å; G433-G601 WeakPolarHBondContact CA-O 3.49Å
434	T	96.6	Very high	86.5	Confident	0 Å²	0	50 Å²	50	0%	0	24%	0.24	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.1	127.5	-172.4	1.4	0	0	0	0	113	W419 I436 V448 L449 I525 P603 Q614	W419-T434 HydrophobicContact CB-CG2 4.29Å; W419-T434 HydrophobicContact CG-CG2 4.49Å; W419-T434 CarbonylContact O-C 3.56Å; W419-T434 WeakPolarHBondContact O-CA 3.46Å; T434-I436 PolarHBondContact O-N 2.79Å; T434-V448 CarbonylContact O-C 3.52Å; T434-V448 VanDerWaalsContact O-CA 3.24Å; T434-V448 WeakPolarHBondContact O-CA 3.41Å; T434-L449 PolarHBondContact N-O 3.09Å; T434-L449 PolarHBondContact O-N 2.98Å; T434-L449 PolarHBondContact OG1-O 2.84Å; T434-I525 HydrophobicContact CG2-CB 4.29Å; T434-I525 HydrophobicContact CG2-CG2 3.8Å; T434-P603 HydrophobicContact CG2-CB 3.56Å; T434-P603 HydrophobicContact CG2-CG 3.62Å; T434-Q614 PolarHBondContact OG1-NE2 3.27Å; T434-Q614 PolarHBondContact OG1-OE1 2.95Å; T434-Q614 VanDerWaalsContact OG1-OE1 3.13Å
435	L	95.8	Very high	86.4	Confident	0 Å²	0	49.8 Å²	49.8	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	126.6	166.1	-70.1	179.8	0	0	0	110.7	W419 V421 T445 V448 I472 V516 V522 P524 I525	W419-L435 PolarHBondContact O-N 3.46Å; V421-L435 HydrophobicContact CG1-CD2 4.17Å; V421-L435 HydrophobicContact CG1-CG 3.8Å; L435-T445 HydrophobicContact CB-CG2 4.25Å; L435-T445 HydrophobicContact CD2-CG2 3.82Å; L435-T445 HydrophobicContact CG-CG2 4.48Å; L435-V448 HydrophobicContact CD2-CG2 3.91Å; L435-I472 HydrophobicContact CD1-CG2 3.71Å; L435-I472 HydrophobicContact CD2-CG1 4.41Å; L435-I472 HydrophobicContact CG-CG2 4.41Å; L435-V516 HydrophobicContact CD1-CG2 4.03Å; L435-V516 HydrophobicContact CD2-CG2 3.68Å; L435-V522 HydrophobicContact CD1-CG1 3.51Å; L435-P524 CarbonylContact O-C 3.54Å; L435-P524 VanDerWaalsContact O-CA 3.3Å; L435-P524 WeakPolarHBondContact O-CA 3.44Å; L435-I525 PolarHBondContact O-N 3.35Å
436	I	95.2	Very high	86.4	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	24%	0.236	C	C	.	.	B	Isolated β-bridge	trans	-121	148.8	177.1	50.8	162.8	0	0	0	110.1	T434 F438 T445 L447 L449 I525 L527 V643 I647	T434-I436 PolarHBondContact O-N 2.79Å; I436-F438 HydrophobicContact CB-CE2 4.45Å; I436-F438 HydrophobicContact CD1-CE2 4.18Å; I436-T445 VanDerWaalsContact O-CB 3.31Å; I436-T445 WeakPolarHBondContact O-CB 3.24Å; I436-T445 WeakPolarHBondContact O-CG2 3.28Å; I436-T445 PolarHBondContact O-OG1 3.32Å; I436-L447 HydrophobicContact CD1-CB 4.12Å; I436-L447 HydrophobicContact CG1-CB 3.76Å; I436-L447 PolarHBondContact N-O 2.93Å; I436-L449 HydrophobicContact CD1-CB 4.11Å; I436-L449 HydrophobicContact CG1-CB 4.38Å; I436-L449 HydrophobicContact CG2-CB 3.89Å; I436-L449 HydrophobicContact CG2-CD2 4.44Å; I436-I525 HydrophobicContact CG2-CG2 4.02Å; I436-L527 HydrophobicContact CB-CD1 4.45Å; I436-L527 HydrophobicContact CG2-CD1 4.08Å; I436-L527 HydrophobicContact CG2-CD2 3.83Å; I436-L527 HydrophobicContact CG2-CG 4.18Å; I436-V643 HydrophobicContact CD1-CG1 4.48Å; I436-I647 HydrophobicContact CD1-CD1 3.89Å
437	Q	85.7	Confident	86.8	Confident	36 Å²	36	43.8 Å²	43.8	17%	0.168	21%	0.21	C	C	.	.			trans	-138	141.5	-179.3	176.5	62.1	-40.2	0	0	112	D439 V442 M444 F518 P524	Q437-D439 PolarHBondContact NE2-O 2.99Å; Q437-D439 VanDerWaalsContact NE2-O 3.13Å; Q437-V442 PolarHBondContact NE2-O 2.99Å; Q437-M444 PolarHBondContact NE2-O 3.06Å; Q437-F518 HydrophobicContact CB-CZ 4.02Å; Q437-F518 HydrophobicContact CG-CE2 4.1Å; Q437-F518 HydrophobicContact CG-CZ 3.92Å; Q437-P524 HydrophobicContact CB-CB 3.48Å; Q437-P524 VanDerWaalsContact CB-CB 3.48Å; Q437-P524 HydrophobicContact CB-CG 3.53Å; Q437-P524 HydrophobicContact CG-CG 4.29Å
438	F	80.7	Confident	87.5	Confident	65 Å²	65	34 Å²	34	29%	0.285	17%	0.173	S	C	.	.			trans	-124	-22.8	-173.7	-83.5	-95.6	0	0	0	114.4	I436 P440 L527 V643 D644 I647	I436-F438 HydrophobicContact CB-CE2 4.45Å; I436-F438 HydrophobicContact CD1-CE2 4.18Å; F438-P440 WeakPolarHBondContact O-CD 3.42Å; F438-L527 HydrophobicContact CE2-CD1 3.84Å; F438-L527 HydrophobicContact CZ-CD1 3.72Å; F438-V643 HydrophobicContact CE2-CG1 4.13Å; F438-V643 HydrophobicContact CZ-CG1 3.74Å; F438-D644 WeakPolarHBondContact CE1-OD1 3.45Å; F438-D644 WeakPolarHBondContact CZ-OD1 3.43Å; F438-I647 HydrophobicContact CB-CG2 4.3Å; F438-I647 HydrophobicContact CD2-CD1 3.45Å; F438-I647 VanDerWaalsContact CD2-CD1 3.45Å; F438-I647 HydrophobicContact CD2-CG2 4.36Å; F438-I647 HydrophobicContact CE1-CD1 4.32Å; F438-I647 HydrophobicContact CE2-CD1 3.2Å; F438-I647 HydrophobicContact CG-CD1 4.12Å; F438-I647 HydrophobicContact CG-CG2 4.13Å; F438-I647 HydrophobicContact CZ-CD1 3.67Å
439	D	77.2	Confident	87.9	Confident	68 Å²	68	27.3 Å²	27.3	36%	0.364	14%	0.142	S	C	.	.			trans	-98.5	106.2	169.2	-172.9	-6.2	0	0	0	110.6	Q437 N441 V442	Q437-D439 PolarHBondContact NE2-O 2.99Å; Q437-D439 VanDerWaalsContact NE2-O 3.13Å; D439-N441 PolarHBondContact O-N 3.01Å; D439-N441 VanDerWaalsContact O-N 3.13Å; D439-N441 WeakPolarHBondContact OD1-CA 3.49Å; D439-N441 VanDerWaalsContact OD1-CB 3.25Å; D439-N441 WeakPolarHBondContact OD1-CB 3.19Å; D439-N441 PolarHBondContact OD1-N 2.82Å; D439-N441 PolarHBondContact OD1-ND2 2.98Å; D439-V442 HydrophobicContact CB-CB 4.15Å; D439-V442 HydrophobicContact CB-CG2 4.24Å; D439-V442 PolarHBondContact O-N 2.88Å; D439-V442 WeakPolarHBondContact OD2-CG2 3.34Å
440	P	72.6	Confident	88.3	Confident	52 Å²	52	26.2 Å²	26.2	34%	0.338	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-6.8	178	29.8	-35.6	0	0	0	113.4	S387 N388 F438	S387-P440 WeakPolarHBondContact OG-CB 3.21Å; N388-P440 PolarHBondContact ND2-O 2.82Å; F438-P440 WeakPolarHBondContact O-CD 3.42Å
441	N	70.6	Confident	88.7	Confident	123 Å²	123	22.3 Å²	22.3	66%	0.658	12%	0.118	S	C	*	.	T	Hydrogen-bonded Turn	trans	-93.1	-1.6	178.4	-49.3	-83.4	0	0	0	112.8	D439	D439-N441 PolarHBondContact O-N 3.01Å; D439-N441 VanDerWaalsContact O-N 3.13Å; D439-N441 WeakPolarHBondContact OD1-CA 3.49Å; D439-N441 VanDerWaalsContact OD1-CB 3.25Å; D439-N441 WeakPolarHBondContact OD1-CB 3.19Å; D439-N441 PolarHBondContact OD1-N 2.82Å; D439-N441 PolarHBondContact OD1-ND2 2.98Å
442	V	71.4	Confident	88.9	Confident	13 Å²	13	22 Å²	22	8%	0.079	12%	0.116	C	C	.	.			trans	-123.7	130.1	-171.2	170.4	0	0	0	0	111.2	Q437 D439 M444 F518	Q437-V442 PolarHBondContact NE2-O 2.99Å; D439-V442 HydrophobicContact CB-CB 4.15Å; D439-V442 HydrophobicContact CB-CG2 4.24Å; D439-V442 PolarHBondContact O-N 2.88Å; D439-V442 WeakPolarHBondContact OD2-CG2 3.34Å; V442-M444 VanDerWaalsContact C-N 3.31Å; V442-M444 HydrophobicContact CG1-CE 4.09Å; V442-M444 HydrophobicContact CG1-CG 3.62Å; V442-M444 PolarHBondContact O-N 3.23Å; V442-F518 WeakPolarHBondContact O-CE2 3.07Å
443	M	82.7	Confident	89	Confident	70 Å²	70	23.2 Å²	23.2	35%	0.345	12%	0.121	S	C	.	.	S	Bend	trans	-94.4	34.8	-174.8	-59.5	-67	147.4	0	0	113	F518	M443-F518 HydrophobicContact CB-CD2 4.34Å; M443-F518 WeakPolarHBondContact O-CG 3.48Å; M443-F518 PolarHBondContact O-N 3.15Å; M443-F518 HydrophobicContact SD-CD2 4.49Å
444	M	84.6	Confident	89	Confident	9 Å²	9	23.2 Å²	23.2	4%	0.044	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-157.3	153.4	179.3	74.6	-170	96	0	0	110.7	W313 Q437 V442 P515 V516 F518	W313-M444 HydrophobicContact CD2-CE 4.17Å; W313-M444 VanDerWaalsContact CE2-CE 3.42Å; W313-M444 HydrophobicContact CH2-CE 3.94Å; W313-M444 HydrophobicContact CZ2-CE 3.3Å; W313-M444 HydrophobicContact CZ2-SD 4.48Å; Q437-M444 PolarHBondContact NE2-O 3.06Å; V442-M444 VanDerWaalsContact C-N 3.31Å; V442-M444 HydrophobicContact CG1-CE 4.09Å; V442-M444 HydrophobicContact CG1-CG 3.62Å; V442-M444 PolarHBondContact O-N 3.23Å; M444-P515 HydrophobicContact CB-CB 4.12Å; M444-P515 HydrophobicContact CG-CB 3.75Å; M444-P515 HydrophobicContact CG-CG 4.19Å; M444-P515 HydrophobicContact SD-CB 3.86Å; M444-P515 HydrophobicContact SD-CG 3.59Å; M444-P515 VanDerWaalsContact SD-CG 3.59Å; M444-V516 CarbonylContact C-O 3.59Å; M444-V516 WeakPolarHBondContact CA-O 3.39Å; M444-V516 WeakPolarHBondContact CB-O 3.47Å; M444-F518 VanDerWaalsContact C-CZ 3.45Å
445	T	89.4	Confident	89	Confident	2 Å²	2	23.2 Å²	23.2	1%	0.012	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	150.5	170.4	-167.7	0	0	0	0	111.2	L435 I436 L447 P515 V516 F518	L435-T445 HydrophobicContact CB-CG2 4.25Å; L435-T445 HydrophobicContact CD2-CG2 3.82Å; L435-T445 HydrophobicContact CG-CG2 4.48Å; I436-T445 VanDerWaalsContact O-CB 3.31Å; I436-T445 WeakPolarHBondContact O-CB 3.24Å; I436-T445 WeakPolarHBondContact O-CG2 3.28Å; I436-T445 PolarHBondContact O-OG1 3.32Å; T445-L447 PolarHBondContact OG1-N 2.82Å; T445-P515 CarbonylContact O-C 3.4Å; T445-P515 VanDerWaalsContact O-CA 3.29Å; T445-P515 WeakPolarHBondContact O-CA 3.43Å; T445-V516 HydrophobicContact CG2-CG2 4.27Å; T445-V516 PolarHBondContact N-O 2.88Å; T445-V516 VanDerWaalsContact O-CG2 3.28Å; T445-V516 WeakPolarHBondContact O-CG2 3.35Å; T445-V516 PolarHBondContact O-N 2.91Å; T445-F518 HydrophobicContact CG2-CE1 3.85Å; T445-F518 HydrophobicContact CG2-CZ 4.3Å
446	D	92.4	Very high	88.9	Confident	16 Å²	16	23.8 Å²	23.8	9%	0.086	12%	0.124	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111	17.4	170.4	62.3	-38.8	0	0	0	112	Q511 L512 P515 R654	D446-Q511 CarbonylContact O-C 3.4Å; D446-Q511 WeakPolarHBondContact O-CA 3.33Å; D446-Q511 WeakPolarHBondContact OD2-CG 3.29Å; D446-Q511 PolarHBondContact OD2-NE2 2.87Å; D446-L512 HydrophobicContact CB-CB 4.36Å; D446-L512 PolarHBondContact O-N 2.58Å; D446-P515 HydrophobicContact CB-CB 4.02Å; D446-R654 IonicContact OD1-CZ 3.72Å; D446-R654 VanDerWaalsContact OD1-CZ 3.25Å; D446-R654 IonicContact OD1-NH1 3.6Å; D446-R654 PolarHBondContact OD1-NH1 2.9Å; D446-R654 IonicContact OD1-NH2 3.52Å; D446-R654 PolarHBondContact OD1-NH2 3.14Å; D446-R654 IonicContact OD2-CZ 2.87Å; D446-R654 VanDerWaalsContact OD2-CZ 3.25Å; D446-R654 IonicContact OD2-NE 2.99Å; D446-R654 IonicContact OD2-NH1 2.64Å; D446-R654 PolarHBondContact OD2-NH1 3.1Å; D446-R654 IonicContact OD2-NH2 3.89Å; D446-R654 PolarHBondContact OD2-NH2 2.78Å
447	L	95.2	Very high	88.8	Confident	4 Å²	4	27.3 Å²	27.3	2%	0.021	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	128.5	-170.7	-57.6	175.7	0	0	0	112.1	I436 T445 I509 Q511 I647 L650	I436-L447 HydrophobicContact CD1-CB 4.12Å; I436-L447 HydrophobicContact CG1-CB 3.76Å; I436-L447 PolarHBondContact N-O 2.93Å; T445-L447 PolarHBondContact OG1-N 2.82Å; L447-I509 HydrophobicContact CD2-CG2 4.39Å; L447-Q511 HydrophobicContact CD2-CG 4.39Å; L447-I647 HydrophobicContact CD1-CD1 3.93Å; L447-I647 HydrophobicContact CD1-CG1 3.97Å; L447-I647 HydrophobicContact CD1-CG2 3.9Å; L447-L650 HydrophobicContact CD2-CD1 3.6Å
448	V	97.6	Very high	89	Confident	0 Å²	0	33.7 Å²	33.7	0%	0	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	128.2	175.2	168	0	0	0	0	109.9	V421 T434 L435 V470 I509 I510 L512	V421-V448 HydrophobicContact CG2-CG1 3.7Å; V421-V448 HydrophobicContact CG2-CG2 4.12Å; T434-V448 CarbonylContact O-C 3.52Å; T434-V448 VanDerWaalsContact O-CA 3.24Å; T434-V448 WeakPolarHBondContact O-CA 3.41Å; L435-V448 HydrophobicContact CD2-CG2 3.91Å; V448-V470 HydrophobicContact CG2-CG1 4.38Å; V448-I509 WeakPolarHBondContact O-CA 3.3Å; V448-I510 HydrophobicContact CB-CB 4.08Å; V448-I510 HydrophobicContact CB-CG2 4.41Å; V448-I510 HydrophobicContact CG1-CB 4.42Å; V448-I510 PolarHBondContact N-O 2.79Å; V448-I510 PolarHBondContact O-N 2.8Å; V448-L512 HydrophobicContact CG2-CD1 4.46Å; V448-L512 HydrophobicContact CG2-CD2 4.34Å; V448-L512 HydrophobicContact CG2-CG 4.49Å
449	L	98.1	Very high	89.5	Confident	0 Å²	0	35 Å²	35	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.5	132.7	170.9	-168.2	67.6	0	0	0	109.9	G433 T434 I436 I507 I509 L527 V617 V636 V643	G433-L449 CarbonylContact C-O 3.58Å; G433-L449 WeakPolarHBondContact CA-O 3.37Å; T434-L449 PolarHBondContact N-O 3.09Å; T434-L449 PolarHBondContact O-N 2.98Å; T434-L449 PolarHBondContact OG1-O 2.84Å; I436-L449 HydrophobicContact CD1-CB 4.11Å; I436-L449 HydrophobicContact CG1-CB 4.38Å; I436-L449 HydrophobicContact CG2-CB 3.89Å; I436-L449 HydrophobicContact CG2-CD2 4.44Å; L449-I507 HydrophobicContact CD1-CD1 4.01Å; L449-I507 HydrophobicContact CD1-CG1 3.88Å; L449-I509 HydrophobicContact CD1-CG1 3.91Å; L449-L527 HydrophobicContact CD2-CD2 4.21Å; L449-V617 HydrophobicContact CD2-CG2 4.36Å; L449-V617 HydrophobicContact CG-CG2 4.46Å; L449-V636 HydrophobicContact CD2-CG1 4.27Å; L449-V636 HydrophobicContact CD2-CG2 4.42Å; L449-V643 HydrophobicContact CD1-CG2 4.18Å
450	T	97.9	Very high	90	Very high	0 Å²	0	35.5 Å²	35.5	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	-171.6	178.7	-172.2	0	0	0	0	110.2	G432 V455 A508 I510 G601	G432-T450 PolarHBondContact O-OG1 2.85Å; T450-V455 HydrophobicContact CG2-CG1 4.11Å; T450-A508 HydrophobicContact CG2-CB 4.25Å; T450-A508 PolarHBondContact N-O 3.2Å; T450-A508 PolarHBondContact O-N 2.77Å; T450-I510 HydrophobicContact CG2-CD1 3.73Å; T450-I510 HydrophobicContact CG2-CG1 4.07Å; T450-G601 WeakPolarHBondContact CA-O 3.43Å; T450-G601 WeakPolarHBondContact OG1-CA 3.15Å
451	A	97.1	Very high	90.9	Very high	0 Å²	0	36.9 Å²	36.9	0%	0	19%	0.19	C	C	.	.			trans	-85.2	159.3	176.9	0	0	0	0	0	112.1	H453 C454 D506 A508 V617	A451-H453 WeakPolarHBondContact CB-ND1 3.49Å; A451-C454 WeakPolarHBondContact O-CB 3.31Å; A451-D506 WeakPolarHBondContact CB-OD1 3.42Å; A451-A508 WeakPolarHBondContact O-CB 3.5Å; A451-V617 HydrophobicContact CB-CG1 3.97Å
452	A	97.6	Very high	92.1	Very high	0 Å²	0	35 Å²	35	0%	0	18%	0.179	C	C	.	.	S	Bend	trans	-71.3	-39.9	177.5	0	0	0	0	0	111.7	C454 V455 L456 A494 Y498 D506	A452-C454 PolarHBondContact O-N 3.36Å; A452-C454 VanDerWaalsContact O-N 3.11Å; A452-V455 WeakPolarHBondContact O-CG2 3.48Å; A452-V455 PolarHBondContact O-N 3.02Å; A452-L456 HydrophobicContact CB-CD1 4.17Å; A452-L456 WeakPolarHBondContact O-CG 3.2Å; A452-L456 PolarHBondContact O-N 2.6Å; A452-L456 VanDerWaalsContact O-N 3.09Å; A452-A494 HydrophobicContact CB-CB 4.13Å; A452-Y498 HydrophobicContact CB-CD1 3.68Å; A452-Y498 HydrophobicContact CB-CD2 3.88Å; A452-Y498 HydrophobicContact CB-CE1 4.23Å; A452-Y498 HydrophobicContact CB-CE2 4.38Å; A452-Y498 HydrophobicContact CB-CG 3.49Å; A452-Y498 VanDerWaalsContact CB-CG 3.49Å; A452-D506 WeakPolarHBondContact CA-OD1 3.36Å; A452-D506 WeakPolarHBondContact CB-OD1 3.12Å; A452-D506 PolarHBondContact N-OD1 2.84Å
453	H	95	Very high	93.2	Very high	28 Å²	28	37.6 Å²	37.6	13%	0.13	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-21.1	177.8	74.2	-100.7	0	0	0	113.8	A451 R463 Y498 F500 D506 S600 S619	A451-H453 WeakPolarHBondContact CB-ND1 3.49Å; H453-R463 PolarHBondContact O-NH2 3.36Å; H453-Y498 WeakPolarHBondContact CB-OH 3.43Å; H453-F500 HydrophobicContact CB-CE1 3.99Å; H453-F500 HydrophobicContact CB-CZ 3.88Å; H453-D506 IonicContact CE1-OD2 3.26Å; H453-D506 PolarHBondContact CE1-OD2 3.48Å; H453-D506 IonicContact CG-OD1 3.99Å; H453-D506 IonicContact CG-OD2 3.39Å; H453-D506 PolarHBondContact N-OD1 2.83Å; H453-D506 IonicContact ND1-OD1 2.65Å; H453-D506 PolarHBondContact ND1-OD1 2.98Å; H453-D506 IonicContact ND1-OD2 2.67Å; H453-D506 PolarHBondContact ND1-OD2 3.31Å; H453-S600 WeakPolarHBondContact NE2-CB 3.44Å; H453-S600 PolarHBondContact NE2-OG 3.43Å; H453-S619 PolarHBondContact CE1-O 3.34Å
454	C	95.5	Very high	93.8	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.014	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-75.8	-22.4	175.5	-66.2	0	0	0	0	114.1	C431 A451 A452	C431-C454 HydrophobicContact CB-CB 3.63Å; C431-C454 WeakPolarHBondContact CB-SG 3.11Å; C431-C454 VanDerWaalsContact SG-CA 3.57Å; C431-C454 WeakPolarHBondContact SG-CB 3.36Å; C431-C454 CovalentContact SG-SG 2.03Å; C431-C454 PolarHBondContact SG-SG 3.25Å; A451-C454 WeakPolarHBondContact O-CB 3.31Å; A452-C454 PolarHBondContact O-N 3.36Å; A452-C454 VanDerWaalsContact O-N 3.11Å
455	V	96.1	Very high	94.2	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.205	C	C	.	.	T	Hydrogen-bonded Turn	trans	-113.3	-7.5	-177.8	-56.1	0	0	0	0	113.3	T450 A452 L462 R463 M492 A494 A508 I510	T450-V455 HydrophobicContact CG2-CG1 4.11Å; A452-V455 WeakPolarHBondContact O-CG2 3.48Å; A452-V455 PolarHBondContact O-N 3.02Å; V455-L462 HydrophobicContact CB-CD2 4.45Å; V455-L462 HydrophobicContact CG2-CD2 4.11Å; V455-L462 WeakPolarHBondContact O-CA 3.15Å; V455-R463 PolarHBondContact O-N 2.71Å; V455-M492 HydrophobicContact CB-CB 4.13Å; V455-M492 HydrophobicContact CB-CE 3.96Å; V455-M492 HydrophobicContact CB-CG 4.48Å; V455-M492 HydrophobicContact CB-SD 3.65Å; V455-M492 HydrophobicContact CG1-CB 4.26Å; V455-M492 HydrophobicContact CG1-CG 4.34Å; V455-M492 HydrophobicContact CG1-SD 3.56Å; V455-M492 VanDerWaalsContact CG1-SD 3.56Å; V455-A494 HydrophobicContact CG2-CB 3.95Å; V455-A508 HydrophobicContact CG1-CB 4.2Å; V455-A508 HydrophobicContact CG2-CB 3.54Å; V455-I510 HydrophobicContact CG1-CD1 3.93Å; V455-I510 HydrophobicContact CG1-CG1 3.92Å
456	L	95.3	Very high	94.3	Very high	12 Å²	12	47 Å²	47	6%	0.063	23%	0.233	C	C	.	.	B	Isolated β-bridge	trans	-110.5	154.7	177.6	-64.1	167.6	0	0	0	111.7	A452 V461 L462 R463 A494 Y498 F500	A452-L456 HydrophobicContact CB-CD1 4.17Å; A452-L456 WeakPolarHBondContact O-CG 3.2Å; A452-L456 PolarHBondContact O-N 2.6Å; A452-L456 VanDerWaalsContact O-N 3.09Å; L456-V461 CarbonylContact C-O 3.56Å; L456-V461 VanDerWaalsContact CA-O 3.31Å; L456-V461 WeakPolarHBondContact CA-O 3.49Å; L456-L462 HydrophobicContact CD2-CD2 3.74Å; L456-L462 HydrophobicContact CD2-CG 4.09Å; L456-L462 HydrophobicContact CG-CD2 4.48Å; L456-R463 PolarHBondContact O-NE 3.33Å; L456-R463 PolarHBondContact O-NH2 3.48Å; L456-A494 HydrophobicContact CD1-CB 3.85Å; L456-A494 HydrophobicContact CD2-CB 4.29Å; L456-A494 HydrophobicContact CG-CB 4.08Å; L456-Y498 HydrophobicContact CD1-CD1 3.48Å; L456-Y498 VanDerWaalsContact CD1-CD1 3.48Å; L456-Y498 HydrophobicContact CD1-CE1 3.95Å; L456-F500 HydrophobicContact CB-CE2 3.83Å
457	E	92.9	Very high	94.3	Very high	73 Å²	73	49.9 Å²	49.9	34%	0.341	25%	0.246	S	C	.	.			trans	-93.3	165	163.9	-67.6	175.8	-168	0	0	110.4	N459 D460 V461 R463 F500	E457-N459 VanDerWaalsContact CB-OD1 3.26Å; E457-N459 WeakPolarHBondContact CB-OD1 3.5Å; E457-N459 PolarHBondContact O-N 2.79Å; E457-N459 PolarHBondContact OE2-ND2 3.43Å; E457-D460 WeakPolarHBondContact O-CA 3.32Å; E457-D460 PolarHBondContact O-N 3.34Å; E457-V461 PolarHBondContact N-O 3.25Å; E457-R463 HydrophobicContact CG-CG 3.81Å; E457-F500 VanDerWaalsContact C-CE2 3.46Å; E457-F500 WeakPolarHBondContact O-CD2 3.04Å; E457-F500 WeakPolarHBondContact O-CE2 3.35Å
458	E	89.5	Confident	94.3	Very high	171 Å²	171	50 Å²	50	80%	0.799	25%	0.246	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.6	-12.4	-177.1	-60.7	-177.2	167.1	0	0	114.7	D460 F500	E458-D460 VanDerWaalsContact C-N 3.33Å; E458-F500 HydrophobicContact CG-CD1 4.39Å; E458-F500 HydrophobicContact CG-CE1 4.43Å
459	N	90.4	Very high	94.2	Very high	93 Å²	93	50.7 Å²	50.7	50%	0.497	25%	0.25	S	S	.	.	T	Hydrogen-bonded Turn	trans	-90.7	9.4	175.2	58.1	25.1	0	0	0	113	E457 V461	E457-N459 VanDerWaalsContact CB-OD1 3.26Å; E457-N459 WeakPolarHBondContact CB-OD1 3.5Å; E457-N459 PolarHBondContact O-N 2.79Å; E457-N459 PolarHBondContact OE2-ND2 3.43Å; N459-V461 HydrophobicContact CB-CG2 4.47Å; N459-V461 PolarHBondContact O-N 3.28Å; N459-V461 WeakPolarHBondContact OD1-CB 3.38Å; N459-V461 VanDerWaalsContact OD1-CG2 3.3Å; N459-V461 WeakPolarHBondContact OD1-CG2 3.43Å; N459-V461 PolarHBondContact OD1-N 2.91Å
460	D	87.8	Confident	94	Very high	78 Å²	78	50.7 Å²	50.7	42%	0.417	25%	0.25	S	S	.	.	S	Bend	trans	59.2	19.5	-173.7	-56.2	-45.5	0	0	0	115.1	E457 E458 N499 F500	E457-D460 WeakPolarHBondContact O-CA 3.32Å; E457-D460 PolarHBondContact O-N 3.34Å; E458-D460 VanDerWaalsContact C-N 3.33Å; D460-N499 WeakPolarHBondContact OD1-CA 3.44Å; D460-N499 VanDerWaalsContact OD1-CB 3.31Å; D460-N499 WeakPolarHBondContact OD1-CB 3.41Å; D460-N499 WeakPolarHBondContact OD2-CB 3.39Å; D460-F500 PolarHBondContact OD1-N 2.86Å
461	V	93	Very high	93.8	Very high	81 Å²	81	51.1 Å²	51.1	49%	0.491	25%	0.252	S	S	.	.	P	Polyproline II helix	trans	-88.6	143.8	172.3	-175.8	0	0	0	0	110.4	L456 E457 N459 R463	L456-V461 CarbonylContact C-O 3.56Å; L456-V461 VanDerWaalsContact CA-O 3.31Å; L456-V461 WeakPolarHBondContact CA-O 3.49Å; E457-V461 PolarHBondContact N-O 3.25Å; N459-V461 HydrophobicContact CB-CG2 4.47Å; N459-V461 PolarHBondContact O-N 3.28Å; N459-V461 WeakPolarHBondContact OD1-CB 3.38Å; N459-V461 VanDerWaalsContact OD1-CG2 3.3Å; N459-V461 WeakPolarHBondContact OD1-CG2 3.43Å; N459-V461 PolarHBondContact OD1-N 2.91Å; V461-R463 PolarHBondContact O-N 2.05Å
462	L	94.6	Very high	93.6	Very high	82 Å²	82	51.1 Å²	51.1	43%	0.429	25%	0.252	S	S	.	.	B	Isolated β-bridge	trans	-67	130.1	173.4	-74.2	170.6	0	0	0	111.3	V455 L456 M492	V455-L462 HydrophobicContact CB-CD2 4.45Å; V455-L462 HydrophobicContact CG2-CD2 4.11Å; V455-L462 WeakPolarHBondContact O-CA 3.15Å; L456-L462 HydrophobicContact CD2-CD2 3.74Å; L456-L462 HydrophobicContact CD2-CG 4.09Å; L456-L462 HydrophobicContact CG-CD2 4.48Å; L462-M492 HydrophobicContact CD2-CB 4.24Å
463	R	95.2	Very high	93.1	Very high	68 Å²	68	51.4 Å²	51.4	26%	0.257	26%	0.255	S	S	.	.	P	Polyproline II helix	trans	-57.1	153.8	175.9	-67.6	177.1	-171.3	-134.5	5.3	111.6	H453 V455 L456 E457 V461 F465 M468 M492	H453-R463 PolarHBondContact O-NH2 3.36Å; V455-R463 PolarHBondContact O-N 2.71Å; L456-R463 PolarHBondContact O-NE 3.33Å; L456-R463 PolarHBondContact O-NH2 3.48Å; E457-R463 HydrophobicContact CG-CG 3.81Å; V461-R463 PolarHBondContact O-N 2.05Å; R463-F465 PolarHBondContact O-N 3.24Å; R463-M468 HydrophobicContact CB-SD 3.85Å; R463-M492 HydrophobicContact CB-CE 4.16Å; R463-M492 WeakPolarHBondContact O-CE 3.49Å
464	P	94.3	Very high	92.7	Very high	46 Å²	46	50.8 Å²	50.8	30%	0.299	26%	0.255	S	S	.	.			trans	-60.8	93.3	179.6	-25.5	36.2	0	0	0	113.7	H466 E467	P464-H466 PolarHBondContact O-N 2.97Å; P464-E467 HydrophobicContact CB-CB 4.41Å; P464-E467 HydrophobicContact CB-CG 3.9Å; P464-E467 WeakPolarHBondContact CB-OE2 3.35Å; P464-E467 WeakPolarHBondContact O-CB 3.21Å; P464-E467 PolarHBondContact O-N 3.32Å
465	F	92.8	Very high	92.1	Very high	101 Å²	101	51.1 Å²	51.1	44%	0.443	26%	0.256	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-24.8	-174.1	70.7	-92.3	0	0	0	114.6	R463 E467 M468 V489 M492	R463-F465 PolarHBondContact O-N 3.24Å; F465-E467 VanDerWaalsContact C-N 3.3Å; F465-M468 PolarHBondContact O-N 3Å; F465-V489 HydrophobicContact CB-CB 4.46Å; F465-V489 HydrophobicContact CB-CG1 3.98Å; F465-M492 HydrophobicContact CB-CE 4.24Å
466	H	91.7	Very high	91.3	Very high	131 Å²	131	54.8 Å²	54.8	61%	0.606	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-15.5	179	59.4	-92.1	0	0	0	113.7	P464	P464-H466 PolarHBondContact O-N 2.97Å
467	E	92.8	Very high	90.7	Very high	78 Å²	78	56.2 Å²	56.2	36%	0.364	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.9	-10.3	172.9	-52.2	-168	120.4	0	0	112	H426 P464 F465	H426-E467 VanDerWaalsContact CE1-CD 3.45Å; H426-E467 IonicContact CE1-OE1 3.75Å; H426-E467 PolarHBondContact CE1-OE1 2.87Å; H426-E467 IonicContact CE1-OE2 2.6Å; H426-E467 PolarHBondContact CE1-OE2 3.08Å; H426-E467 PolarHBondContact N-O 2.92Å; H426-E467 IonicContact ND1-OE1 2.59Å; P464-E467 HydrophobicContact CB-CB 4.41Å; P464-E467 HydrophobicContact CB-CG 3.9Å; P464-E467 WeakPolarHBondContact CB-OE2 3.35Å; P464-E467 WeakPolarHBondContact O-CB 3.21Å; P464-E467 PolarHBondContact O-N 3.32Å; F465-E467 VanDerWaalsContact C-N 3.3Å
468	M	95.6	Very high	89.8	Confident	5 Å²	5	57 Å²	57	3%	0.025	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	139.6	-176.6	-64	-179.5	70.8	0	0	112.8	V423 Q424 R463 F465 V489 M492	V423-M468 HydrophobicContact CG1-CE 3.74Å; Q424-M468 VanDerWaalsContact O-CA 3.23Å; Q424-M468 WeakPolarHBondContact O-CA 3.11Å; R463-M468 HydrophobicContact CB-SD 3.85Å; F465-M468 PolarHBondContact O-N 3Å; M468-V489 HydrophobicContact CB-CB 4.35Å; M468-V489 HydrophobicContact CB-CG2 3.86Å; M468-V489 PolarHBondContact O-N 2.95Å; M468-M492 HydrophobicContact CE-CE 4.47Å; M468-M492 HydrophobicContact CE-SD 3.77Å; M468-M492 HydrophobicContact SD-CE 3.6Å; M468-M492 HydrophobicContact SD-SD 3.55Å
469	N	94.4	Very high	88.9	Confident	15 Å²	15	53.3 Å²	53.3	8%	0.08	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	158.3	175.6	72.3	-89.9	0	0	0	110.1	Q424 R427 N486 V487	Q424-N469 WeakPolarHBondContact CA-O 3.47Å; Q424-N469 WeakPolarHBondContact CB-O 3.4Å; Q424-N469 PolarHBondContact N-O 3.12Å; Q424-N469 PolarHBondContact O-N 3.24Å; Q424-N469 PolarHBondContact OE1-ND2 3.01Å; R427-N469 PolarHBondContact N-OD1 3.4Å; N469-N486 PolarHBondContact ND2-ND2 3.47Å; N469-N486 PolarHBondContact ND2-OD1 2.84Å; N469-V487 WeakPolarHBondContact CA-O 3.47Å
470	V	95.4	Very high	88	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.2	130	177.2	-175.5	0	0	0	0	108.3	V421 S422 V448 I472 N486 V487 V489 I510 L512	V421-V470 HydrophobicContact CB-CG1 3.61Å; V421-V470 HydrophobicContact CG1-CG1 4.28Å; V421-V470 HydrophobicContact CG2-CG1 3.56Å; S422-V470 CarbonylContact O-C 3.55Å; S422-V470 WeakPolarHBondContact O-CA 3.33Å; V448-V470 HydrophobicContact CG2-CG1 4.38Å; V470-I472 HydrophobicContact CB-CD1 4Å; V470-I472 HydrophobicContact CG1-CD1 3.73Å; V470-I472 HydrophobicContact CG1-CG1 3.98Å; V470-I472 VanDerWaalsContact O-CD1 3.27Å; V470-I472 WeakPolarHBondContact O-CD1 3.42Å; V470-N486 WeakPolarHBondContact O-CA 3.26Å; V470-N486 PolarHBondContact O-OD1 3.26Å; V470-N486 VanDerWaalsContact O-OD1 3.09Å; V470-V487 PolarHBondContact N-O 2.82Å; V470-V487 PolarHBondContact O-N 2.9Å; V470-V489 HydrophobicContact CG2-CG2 4.25Å; V470-I510 HydrophobicContact CG2-CG2 4.31Å; V470-L512 HydrophobicContact CB-CD2 3.88Å; V470-L512 HydrophobicContact CG2-CD2 3.66Å
471	Q	92.6	Very high	87.2	Confident	10 Å²	10	55.6 Å²	55.6	5%	0.047	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102	119.2	172.2	176.5	176.3	1.7	0	0	109	V421 S422 A474 Q484	V421-Q471 WeakPolarHBondContact CA-O 3.44Å; S422-Q471 PolarHBondContact N-O 2.97Å; S422-Q471 PolarHBondContact O-N 3.1Å; Q471-A474 HydrophobicContact CG-CB 3.88Å; Q471-Q484 HydrophobicContact CG-CG 4.18Å; Q471-Q484 VanDerWaalsContact NE2-NE2 3.1Å
472	I	93.1	Very high	86	Confident	0 Å²	0	58.1 Å²	58.1	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	138.9	-171.1	-61.8	94	0	0	0	109.6	V421 L435 V470 A474 Q484 Q485 V487 L512 V516 V522	V421-I472 HydrophobicContact CB-CG1 4.3Å; V421-I472 HydrophobicContact CG1-CB 4.19Å; V421-I472 HydrophobicContact CG1-CG1 3.66Å; V421-I472 HydrophobicContact CG1-CG2 4.22Å; L435-I472 HydrophobicContact CD1-CG2 3.71Å; L435-I472 HydrophobicContact CD2-CG1 4.41Å; L435-I472 HydrophobicContact CG-CG2 4.41Å; V470-I472 HydrophobicContact CB-CD1 4Å; V470-I472 HydrophobicContact CG1-CD1 3.73Å; V470-I472 HydrophobicContact CG1-CG1 3.98Å; V470-I472 VanDerWaalsContact O-CD1 3.27Å; V470-I472 WeakPolarHBondContact O-CD1 3.42Å; I472-A474 PolarHBondContact O-N 3.41Å; I472-Q484 WeakPolarHBondContact O-CA 3.47Å; I472-Q485 HydrophobicContact CB-CB 4.27Å; I472-Q485 WeakPolarHBondContact CB-O 3.35Å; I472-Q485 WeakPolarHBondContact CD1-O 3.48Å; I472-Q485 PolarHBondContact N-O 2.97Å; I472-Q485 PolarHBondContact O-N 2.98Å; I472-V487 HydrophobicContact CD1-CG2 4.28Å; I472-L512 HydrophobicContact CD1-CD1 4.41Å; I472-V516 HydrophobicContact CD1-CG1 3.91Å; I472-V516 HydrophobicContact CG1-CG1 4.21Å; I472-V522 HydrophobicContact CG2-CB 4.39Å; I472-V522 HydrophobicContact CG2-CG1 3.64Å; I472-V522 HydrophobicContact CG2-CG2 3.85Å
473	G	87.7	Confident	84.7	Confident	5 Å²	5	55.8 Å²	55.8	5%	0.052	29%	0.285	C	S	.	.	S	Bend	trans	77.7	-1	171.8	0	0	0	0	0	115.4	H415 T521	H415-G473 PolarHBondContact CE1-O 2.89Å; H415-G473 PolarHBondContact ND1-O 3Å; G473-T521 WeakPolarHBondContact CA-O 3.46Å
474	A	85.3	Confident	83.9	Confident	16 Å²	16	53.5 Å²	53.5	13%	0.132	28%	0.278	C	S	.	.			trans	-76.9	132.6	173.8	0	0	0	0	0	111.2	Q471 I472 E481 Q484	Q471-A474 HydrophobicContact CG-CB 3.88Å; I472-A474 PolarHBondContact O-N 3.41Å; A474-E481 WeakPolarHBondContact CA-OE2 3Å; A474-Q484 HydrophobicContact CB-CG 4.29Å
475	H	82.7	Confident	83.4	Confident	9 Å²	9	53.6 Å²	53.6	4%	0.042	27%	0.274	C	S	.	.	S	Bend	trans	-91.5	-25.7	162.7	162.7	73	0	0	0	111.2	D411 S412 P414 E481 H554 L555	D411-H475 IonicContact OD1-CE1 3.21Å; D411-H475 PolarHBondContact OD1-CE1 2.86Å; S412-H475 PolarHBondContact O-CE1 3.02Å; S412-H475 PolarHBondContact OG-ND1 3.1Å; P414-H475 HydrophobicContact CB-CB 4.44Å; H475-E481 IonicContact CD2-OE1 3.51Å; H475-E481 PolarHBondContact N-OE2 2.72Å; H475-H554 CarbonylContact O-C 3.58Å; H475-H554 WeakPolarHBondContact O-CA 3.42Å; H475-L555 PolarHBondContact O-N 3.31Å
476	R	80.5	Confident	83.3	Confident	77 Å²	77	52.7 Å²	52.7	29%	0.291	27%	0.274	S	S	.	.	B	Isolated β-bridge	trans	-119.6	132.8	172	-69.8	-175	177.4	-167.2	-5.3	112.4	M479 E481 D553 H554	R476-M479 HydrophobicContact CB-CB 4.17Å; R476-M479 HydrophobicContact CB-CG 4.42Å; R476-E481 PolarHBondContact N-OE1 2.78Å; R476-E481 PolarHBondContact N-OE2 2.81Å; R476-D553 WeakPolarHBondContact CA-O 3.43Å; R476-D553 WeakPolarHBondContact CB-OD2 3.34Å; R476-H554 PolarHBondContact NE-CD2 2.81Å; R476-H554 PolarHBondContact NE-NE2 2.89Å; R476-H554 VanDerWaalsContact NE-NE2 3.15Å; R476-H554 PolarHBondContact NH2-CE1 2.91Å; R476-H554 PolarHBondContact NH2-NE2 3.23Å
477	L	82.1	Confident	83.3	Confident	42 Å²	42	47.5 Å²	47.5	22%	0.22	25%	0.251	C	S	.	.	S	Bend	trans	-80	-31.4	179.8	-63.2	-171.8	0	0	0	113.8	H429 M479 I545 D553	H429-L477 HydrophobicContact CB-CD1 3.9Å; L477-M479 VanDerWaalsContact C-N 3.33Å; L477-I545 HydrophobicContact CD1-CG2 3.7Å; L477-I545 HydrophobicContact CG-CG2 4.41Å; L477-D553 HydrophobicContact CB-CB 4.37Å; L477-D553 PolarHBondContact N-O 3.45Å; L477-D553 PolarHBondContact N-OD2 2.77Å
478	S	73.8	Confident	83.4	Confident	88 Å²	88	51.2 Å²	51.2	62%	0.615	26%	0.262	S	S	*	.	S	Bend	trans	-79.5	-14.6	-178.5	71.5	0	0	0	0	114	D553	S478-D553 WeakPolarHBondContact CA-OD2 3.16Å; S478-D553 WeakPolarHBondContact CB-OD2 3.37Å; S478-D553 PolarHBondContact N-OD2 2.9Å; S478-D553 VanDerWaalsContact OG-CG 3.3Å; S478-D553 PolarHBondContact OG-OD2 3.22Å
479	M	70.9	Confident	83.4	Confident	94 Å²	94	51.3 Å²	51.3	46%	0.463	26%	0.262	S	S	.	.	S	Bend	trans	-113	149.8	-175.2	-58.9	-168.9	177.4	0	0	110.8	R476 L477 Q484	R476-M479 HydrophobicContact CB-CB 4.17Å; R476-M479 HydrophobicContact CB-CG 4.42Å; L477-M479 VanDerWaalsContact C-N 3.33Å; M479-Q484 PolarHBondContact O-OE1 3.24Å
480	Y	72.7	Confident	83.4	Confident	187 Å²	187	55.4 Å²	55.4	73%	0.733	28%	0.28	S	S	*	.			trans	-92.3	113.6	169.3	178.5	-95.1	0	0	0	109.1	Q484	Y480-Q484 HydrophobicContact CE2-CB 4.46Å
481	E	69.4	Low	83.3	Confident	32 Å²	32	58.8 Å²	58.8	15%	0.15	29%	0.292	C	S	.	.			trans	-103.7	150.7	-175	-66.7	178.6	146.6	0	0	112.6	H415 A474 H475 R476 G483 Q484	H415-E481 IonicContact CE1-OE2 2.74Å; H415-E481 PolarHBondContact CE1-OE2 3.41Å; A474-E481 WeakPolarHBondContact CA-OE2 3Å; H475-E481 IonicContact CD2-OE1 3.51Å; H475-E481 PolarHBondContact N-OE2 2.72Å; R476-E481 PolarHBondContact N-OE1 2.78Å; R476-E481 PolarHBondContact N-OE2 2.81Å; E481-G483 PolarHBondContact O-N 2.84Å; E481-Q484 VanDerWaalsContact N-OE1 3.14Å; E481-Q484 WeakPolarHBondContact O-CB 3.11Å; E481-Q484 PolarHBondContact O-N 2.86Å
482	T	67.6	Low	83.5	Confident	134 Å²	134	59 Å²	59	82%	0.822	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	120.9	-177.6	-59.5	0	0	0	0	111.4
483	G	67.3	Low	83.6	Confident	34 Å²	34	61.2 Å²	61.2	35%	0.351	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	90.2	-1.2	-176.4	0	0	0	0	0	114.4	E481 Q485	E481-G483 PolarHBondContact O-N 2.84Å; G483-Q485 PolarHBondContact O-N 2.76Å
484	Q	80.1	Confident	84.1	Confident	20 Å²	20	61.8 Å²	61.8	9%	0.093	31%	0.309	C	S	.	.			trans	-58.7	134.1	166.7	178.4	-178.2	-35.1	0	0	110.4	Q471 I472 A474 M479 Y480 E481	Q471-Q484 HydrophobicContact CG-CG 4.18Å; Q471-Q484 VanDerWaalsContact NE2-NE2 3.1Å; I472-Q484 WeakPolarHBondContact O-CA 3.47Å; A474-Q484 HydrophobicContact CB-CG 4.29Å; M479-Q484 PolarHBondContact O-OE1 3.24Å; Y480-Q484 HydrophobicContact CE2-CB 4.46Å; E481-Q484 VanDerWaalsContact N-OE1 3.14Å; E481-Q484 WeakPolarHBondContact O-CB 3.11Å; E481-Q484 PolarHBondContact O-N 2.86Å
485	Q	83.8	Confident	84.7	Confident	48 Å²	48	62.5 Å²	62.5	22%	0.224	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118	131	173.1	-71.1	167	86	0	0	108	I472 G483 V516 Q517	I472-Q485 HydrophobicContact CB-CB 4.27Å; I472-Q485 WeakPolarHBondContact CB-O 3.35Å; I472-Q485 WeakPolarHBondContact CD1-O 3.48Å; I472-Q485 PolarHBondContact N-O 2.97Å; I472-Q485 PolarHBondContact O-N 2.98Å; G483-Q485 PolarHBondContact O-N 2.76Å; Q485-V516 HydrophobicContact CB-CG1 3.92Å; Q485-V516 VanDerWaalsContact OE1-CA 3.27Å; Q485-Q517 PolarHBondContact NE2-O 3Å
486	N	90.6	Very high	85.2	Confident	82 Å²	82	71.7 Å²	71.7	44%	0.439	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	120.3	172.7	-171.8	-13.3	0	0	0	108.5	N469 V470	N469-N486 PolarHBondContact ND2-ND2 3.47Å; N469-N486 PolarHBondContact ND2-OD1 2.84Å; V470-N486 WeakPolarHBondContact O-CA 3.26Å; V470-N486 PolarHBondContact O-OD1 3.26Å; V470-N486 VanDerWaalsContact O-OD1 3.09Å
487	V	91.8	Very high	85.8	Confident	21 Å²	21	71 Å²	71	13%	0.127	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	138.9	-171	-166.6	0	0	0	0	109.7	N469 V470 I472 L512 E513 V516	N469-V487 WeakPolarHBondContact CA-O 3.47Å; V470-V487 PolarHBondContact N-O 2.82Å; V470-V487 PolarHBondContact O-N 2.9Å; I472-V487 HydrophobicContact CD1-CG2 4.28Å; V487-L512 HydrophobicContact CB-CB 4.46Å; V487-L512 HydrophobicContact CB-CD1 4.37Å; V487-L512 HydrophobicContact CG1-CB 3.94Å; V487-E513 HydrophobicContact CG1-CB 4.23Å; V487-V516 HydrophobicContact CG2-CG1 3.68Å
488	R	94.8	Very high	86.4	Confident	157 Å²	157	70.1 Å²	70.1	59%	0.592	35%	0.351	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.4	157.5	175.1	-71.7	172.9	167.7	166.3	-5.8	111.8	L512 E513	R488-L512 CarbonylContact O-C 3.28Å; R488-L512 WeakPolarHBondContact O-CA 3.14Å; R488-E513 HydrophobicContact CB-CB 4.27Å; R488-E513 WeakPolarHBondContact CB-OE2 2.95Å; R488-E513 VanDerWaalsContact CD-OE2 3.31Å; R488-E513 WeakPolarHBondContact CD-OE2 3.36Å; R488-E513 PolarHBondContact O-N 2.94Å
489	V	95.7	Very high	87.2	Confident	6 Å²	6	68.1 Å²	68.1	4%	0.036	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	136	169.2	177.5	0	0	0	0	110.3	F465 M468 V470 M492 I510	F465-V489 HydrophobicContact CB-CB 4.46Å; F465-V489 HydrophobicContact CB-CG1 3.98Å; M468-V489 HydrophobicContact CB-CB 4.35Å; M468-V489 HydrophobicContact CB-CG2 3.86Å; M468-V489 PolarHBondContact O-N 2.95Å; V470-V489 HydrophobicContact CG2-CG2 4.25Å; V489-M492 HydrophobicContact CG1-CG 3.53Å; V489-M492 HydrophobicContact CG1-SD 4.18Å; V489-I510 HydrophobicContact CB-CG2 4.44Å; V489-I510 HydrophobicContact CG1-CG2 4.03Å; V489-I510 HydrophobicContact CG2-CG2 3.79Å
490	K	93.2	Very high	88.1	Confident	102 Å²	102	67.1 Å²	67.1	44%	0.443	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	-39.3	173.8	-176.7	167.4	-179.9	165.9	0	112.6	Q511 L512	K490-Q511 WeakPolarHBondContact CB-O 3.38Å; K490-Q511 PolarHBondContact N-O 3.45Å; K490-L512 WeakPolarHBondContact CB-O 3.33Å
491	R	94.1	Very high	88.7	Confident	70 Å²	70	63.9 Å²	63.9	26%	0.264	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.1	163.1	173.6	55.2	177	159.5	178.5	-4.3	109.9	Q511 L650 T653	R491-Q511 HydrophobicContact CG-CB 3.95Å; R491-Q511 VanDerWaalsContact CZ-OE1 3.23Å; R491-Q511 PolarHBondContact N-O 3.26Å; R491-Q511 PolarHBondContact O-N 3.34Å; R491-L650 VanDerWaalsContact NE-CD2 3.32Å; R491-L650 PolarHBondContact NH2-O 3.07Å; R491-T653 PolarHBondContact NH1-OG1 3.14Å; R491-T653 PolarHBondContact NH2-OG1 3.46Å
492	M	96.1	Very high	89.5	Confident	14 Å²	14	64.7 Å²	64.7	7%	0.069	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	143.9	176.9	-50.9	-171.5	-67.4	0	0	108.8	V455 L462 R463 F465 M468 V489 I510	V455-M492 HydrophobicContact CB-CB 4.13Å; V455-M492 HydrophobicContact CB-CE 3.96Å; V455-M492 HydrophobicContact CB-CG 4.48Å; V455-M492 HydrophobicContact CB-SD 3.65Å; V455-M492 HydrophobicContact CG1-CB 4.26Å; V455-M492 HydrophobicContact CG1-CG 4.34Å; V455-M492 HydrophobicContact CG1-SD 3.56Å; V455-M492 VanDerWaalsContact CG1-SD 3.56Å; L462-M492 HydrophobicContact CD2-CB 4.24Å; R463-M492 HydrophobicContact CB-CE 4.16Å; R463-M492 WeakPolarHBondContact O-CE 3.49Å; F465-M492 HydrophobicContact CB-CE 4.24Å; M468-M492 HydrophobicContact CE-CE 4.47Å; M468-M492 HydrophobicContact CE-SD 3.77Å; M468-M492 HydrophobicContact SD-CE 3.6Å; M468-M492 HydrophobicContact SD-SD 3.55Å; V489-M492 HydrophobicContact CG1-CG 3.53Å; V489-M492 HydrophobicContact CG1-SD 4.18Å; M492-I510 HydrophobicContact CG-CG1 4.1Å; M492-I510 HydrophobicContact SD-CG1 4.32Å
493	I	96.4	Very high	90.4	Very high	47 Å²	47	59 Å²	59	24%	0.241	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	102.2	178.2	-56.1	-179.8	0	0	0	107.5	A508 I509 W642 T646 L650	I493-A508 CarbonylContact O-C 3.48Å; I493-A508 WeakPolarHBondContact O-CA 3.49Å; I493-A508 WeakPolarHBondContact O-CB 3.31Å; I493-I509 PolarHBondContact N-O 2.84Å; I493-I509 PolarHBondContact O-N 3.24Å; I493-W642 HydrophobicContact CG2-CZ2 4.29Å; I493-T646 HydrophobicContact CB-CG2 4.28Å; I493-T646 HydrophobicContact CD1-CG2 3.74Å; I493-T646 HydrophobicContact CG2-CG2 4.01Å; I493-L650 HydrophobicContact CD1-CD2 3.62Å; I493-L650 HydrophobicContact CD1-CG 4.17Å
494	A	97.1	Very high	91.5	Very high	18 Å²	18	60.5 Å²	60.5	15%	0.149	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	153.4	167.8	0	0	0	0	0	110.7	A452 V455 L456 K496 A508	A452-A494 HydrophobicContact CB-CB 4.13Å; V455-A494 HydrophobicContact CG2-CB 3.95Å; L456-A494 HydrophobicContact CD1-CB 3.85Å; L456-A494 HydrophobicContact CD2-CB 4.29Å; L456-A494 HydrophobicContact CG-CB 4.08Å; A494-K496 PolarHBondContact O-N 2.82Å; A494-A508 HydrophobicContact CB-CB 4.4Å
495	H	97.1	Very high	92.2	Very high	31 Å²	31	59.6 Å²	59.6	14%	0.144	30%	0.296	C	S	.	.			trans	-67.7	126.1	172.9	-172.8	-79.1	0	0	0	111.1	S497 Y498 S505 I507 F639 W642	H495-S497 PolarHBondContact CE1-OG 2.77Å; H495-S497 PolarHBondContact ND1-N 3.42Å; H495-S497 PolarHBondContact O-N 3.1Å; H495-Y498 WeakPolarHBondContact O-CB 3.38Å; H495-Y498 PolarHBondContact O-N 3.09Å; H495-S505 WeakPolarHBondContact CB-O 3.46Å; H495-S505 PolarHBondContact CE1-OG 2.85Å; H495-S505 WeakPolarHBondContact ND1-CB 3.4Å; H495-S505 PolarHBondContact ND1-OG 2.8Å; H495-I507 HydrophobicContact CB-CG2 3.74Å; H495-I507 PolarHBondContact N-O 2.82Å; H495-F639 AromaticContact CD2-CD1 3.8Å; H495-F639 AromaticContact CD2-CE1 3.85Å; H495-F639 AromaticContact NE2-CD1 3.96Å; H495-F639 AromaticContact NE2-CE1 3.75Å; H495-W642 HydrophobicContact CB-CZ2 4.11Å; H495-W642 AromaticContact CD2-CD1 3.47Å; H495-W642 VanDerWaalsContact CD2-CD1 3.47Å; H495-W642 AromaticContact CD2-CD2 3.7Å; H495-W642 AromaticContact CD2-CE2 3.74Å; H495-W642 AromaticContact CD2-CG 3.54Å; H495-W642 AromaticContact CD2-NE1 3.57Å; H495-W642 AromaticContact NE2-CD1 3.96Å
496	K	94	Very high	92.8	Very high	201 Å²	201	57.4 Å²	57.4	87%	0.874	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-17.7	-170.2	-61.4	175	-174.8	167.2	0	115.5	A494	A494-K496 PolarHBondContact O-N 2.82Å
497	S	93.9	Very high	93.2	Very high	64 Å²	64	53.5 Å²	53.5	45%	0.448	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94	-0.4	178.2	-46.2	0	0	0	0	114.6	H495	H495-S497 PolarHBondContact CE1-OG 2.77Å; H495-S497 PolarHBondContact ND1-N 3.42Å; H495-S497 PolarHBondContact O-N 3.1Å
498	Y	95	Very high	93.5	Very high	22 Å²	22	52.5 Å²	52.5	9%	0.086	26%	0.258	C	S	.	.			trans	-79.2	144.3	171.2	-179.6	-89.1	0	0	0	110.9	A452 H453 L456 H495 F500 P503 D506	A452-Y498 HydrophobicContact CB-CD1 3.68Å; A452-Y498 HydrophobicContact CB-CD2 3.88Å; A452-Y498 HydrophobicContact CB-CE1 4.23Å; A452-Y498 HydrophobicContact CB-CE2 4.38Å; A452-Y498 HydrophobicContact CB-CG 3.49Å; A452-Y498 VanDerWaalsContact CB-CG 3.49Å; H453-Y498 WeakPolarHBondContact CB-OH 3.43Å; L456-Y498 HydrophobicContact CD1-CD1 3.48Å; L456-Y498 VanDerWaalsContact CD1-CD1 3.48Å; L456-Y498 HydrophobicContact CD1-CE1 3.95Å; H495-Y498 WeakPolarHBondContact O-CB 3.38Å; H495-Y498 PolarHBondContact O-N 3.09Å; Y498-F500 AromaticContact CE1-CD2 3.92Å; Y498-F500 HydrophobicContact CE1-CD2 3.92Å; Y498-F500 HydrophobicContact CE1-CE2 4.01Å; Y498-F500 HydrophobicContact CE1-CG 4.41Å; Y498-P503 HydrophobicContact CE2-CB 4.17Å; Y498-D506 HydrophobicContact CD2-CB 3.7Å; Y498-D506 HydrophobicContact CE2-CB 3.64Å; Y498-D506 WeakPolarHBondContact CE2-OD1 3.26Å
499	N	90.4	Very high	93.6	Very high	47 Å²	47	45 Å²	45	25%	0.251	23%	0.23	S	C	.	.	B	Isolated β-bridge	trans	-153.6	162.3	157.5	53.6	85	0	0	0	109.4	D460 S501 N502	D460-N499 WeakPolarHBondContact OD1-CA 3.44Å; D460-N499 VanDerWaalsContact OD1-CB 3.31Å; D460-N499 WeakPolarHBondContact OD1-CB 3.41Å; D460-N499 WeakPolarHBondContact OD2-CB 3.39Å; N499-S501 PolarHBondContact O-N 3.23Å; N499-S501 VanDerWaalsContact O-N 3.15Å; N499-S501 WeakPolarHBondContact OD1-CB 3.35Å; N499-S501 PolarHBondContact OD1-N 3.01Å; N499-N502 PolarHBondContact N-O 3.44Å; N499-N502 CarbonylContact O-C 3.5Å; N499-N502 PolarHBondContact O-N 3.32Å; N499-N502 WeakPolarHBondContact OD1-CB 3.36Å; N499-N502 PolarHBondContact OD1-N 3.36Å
500	F	88.4	Confident	93.7	Very high	73 Å²	73	44.8 Å²	44.8	32%	0.32	23%	0.229	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-21.8	-178.1	-80.6	-96.5	0	0	0	114.3	H453 L456 E457 E458 D460 Y498	H453-F500 HydrophobicContact CB-CE1 3.99Å; H453-F500 HydrophobicContact CB-CZ 3.88Å; L456-F500 HydrophobicContact CB-CE2 3.83Å; E457-F500 VanDerWaalsContact C-CE2 3.46Å; E457-F500 WeakPolarHBondContact O-CD2 3.04Å; E457-F500 WeakPolarHBondContact O-CE2 3.35Å; E458-F500 HydrophobicContact CG-CD1 4.39Å; E458-F500 HydrophobicContact CG-CE1 4.43Å; D460-F500 PolarHBondContact OD1-N 2.86Å; Y498-F500 AromaticContact CE1-CD2 3.92Å; Y498-F500 HydrophobicContact CE1-CD2 3.92Å; Y498-F500 HydrophobicContact CE1-CE2 4.01Å; Y498-F500 HydrophobicContact CE1-CG 4.41Å
501	S	86.5	Confident	93.8	Very high	119 Å²	119	40 Å²	40	83%	0.832	21%	0.208	S	C	*	.	T	Hydrogen-bonded Turn	trans	-81.3	-15.1	172.5	-64.9	0	0	0	0	113.7	N499	N499-S501 PolarHBondContact O-N 3.23Å; N499-S501 VanDerWaalsContact O-N 3.15Å; N499-S501 WeakPolarHBondContact OD1-CB 3.35Å; N499-S501 PolarHBondContact OD1-N 3.01Å
502	N	85.3	Confident	93.8	Very high	49 Å²	49	36.7 Å²	36.7	26%	0.262	20%	0.196	S	C	.	.	B	Isolated β-bridge	trans	-147.2	94.5	-176.8	-176.3	3.9	0	0	0	111.3	N499 H504 Y579	N499-N502 PolarHBondContact N-O 3.44Å; N499-N502 CarbonylContact O-C 3.5Å; N499-N502 PolarHBondContact O-N 3.32Å; N499-N502 WeakPolarHBondContact OD1-CB 3.36Å; N499-N502 PolarHBondContact OD1-N 3.36Å; N502-H504 PolarHBondContact O-N 3.4Å; N502-H504 WeakPolarHBondContact OD1-CB 3.09Å; N502-H504 PolarHBondContact OD1-N 2.89Å; N502-Y579 WeakPolarHBondContact OD1-CE2 3.47Å; N502-Y579 VanDerWaalsContact OD1-CZ 3.28Å; N502-Y579 PolarHBondContact OD1-OH 3.26Å; N502-Y579 VanDerWaalsContact OD1-OH 3.06Å
503	P	86.8	Confident	93.5	Very high	15 Å²	15	39 Å²	39	10%	0.097	21%	0.206	C	C	.	.	G	3₁₀ helix	trans	-74.4	18.6	-175.4	31.9	-36.6	0	0	0	114.7	Y498 S505 M583 F620	Y498-P503 HydrophobicContact CE2-CB 4.17Å; P503-S505 VanDerWaalsContact C-N 3.27Å; P503-S505 PolarHBondContact O-N 3.4Å; P503-S505 VanDerWaalsContact O-N 3.1Å; P503-M583 HydrophobicContact CB-CE 4.32Å; P503-M583 HydrophobicContact CG-CE 4.28Å; P503-M583 WeakPolarHBondContact O-CE 3.31Å; P503-F620 HydrophobicContact CB-CD1 4.13Å; P503-F620 HydrophobicContact CB-CE1 4.01Å; P503-F620 HydrophobicContact CG-CD1 4.2Å; P503-F620 HydrophobicContact CG-CE1 3.72Å; P503-F620 HydrophobicContact CG-CZ 4.33Å
504	H	90.1	Very high	93	Very high	65 Å²	65	44 Å²	44	30%	0.301	22%	0.223	S	C	.	.	G	3₁₀ helix	trans	-42.3	-46.3	-177.4	-173.9	-89.2	0	0	0	114.4	N502 Y579 I582	N502-H504 PolarHBondContact O-N 3.4Å; N502-H504 WeakPolarHBondContact OD1-CB 3.09Å; N502-H504 PolarHBondContact OD1-N 2.89Å; H504-Y579 HydrophobicContact CB-CD2 4.18Å; H504-Y579 HydrophobicContact CB-CE2 4.23Å; H504-Y579 AromaticContact CD2-CD1 3.61Å; H504-Y579 AromaticContact CD2-CE1 3.96Å; H504-Y579 AromaticContact CD2-CG 3.72Å; H504-I582 HydrophobicContact CB-CD1 4.38Å; H504-I582 VanDerWaalsContact CD2-CD1 3.45Å; H504-I582 WeakPolarHBondContact CD2-CD1 3.4Å; H504-I582 WeakPolarHBondContact CE1-CD1 3.5Å; H504-I582 VanDerWaalsContact CG-CD1 3.45Å; H504-I582 VanDerWaalsContact ND1-CD1 3.35Å; H504-I582 WeakPolarHBondContact ND1-CD1 3.48Å; H504-I582 VanDerWaalsContact NE2-CD1 3.33Å; H504-I582 WeakPolarHBondContact NE2-CD1 3.21Å; H504-I582 WeakPolarHBondContact O-CD1 3.46Å; H504-I582 WeakPolarHBondContact O-CG1 3.47Å
505	S	95.4	Very high	92.6	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.007	23%	0.232	C	C	.	.	G	3₁₀ helix	trans	-127.1	52.2	-171.9	-58.1	0	0	0	0	112.9	H495 P503 I507 F639	H495-S505 WeakPolarHBondContact CB-O 3.46Å; H495-S505 PolarHBondContact CE1-OG 2.85Å; H495-S505 WeakPolarHBondContact ND1-CB 3.4Å; H495-S505 PolarHBondContact ND1-OG 2.8Å; P503-S505 VanDerWaalsContact C-N 3.27Å; P503-S505 PolarHBondContact O-N 3.4Å; P503-S505 VanDerWaalsContact O-N 3.1Å; S505-I507 VanDerWaalsContact C-N 3.26Å; S505-I507 PolarHBondContact O-N 2.99Å; S505-F639 WeakPolarHBondContact OG-CE1 3.35Å; S505-F639 WeakPolarHBondContact OG-CZ 3.43Å
506	D	97.1	Very high	91.9	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.005	23%	0.225	C	C	.	.			trans	-72.7	75.1	-175.5	-168.7	22.3	0	0	0	113	A451 A452 H453 Y498 S619 T634	A451-D506 WeakPolarHBondContact CB-OD1 3.42Å; A452-D506 WeakPolarHBondContact CA-OD1 3.36Å; A452-D506 WeakPolarHBondContact CB-OD1 3.12Å; A452-D506 PolarHBondContact N-OD1 2.84Å; H453-D506 IonicContact CE1-OD2 3.26Å; H453-D506 PolarHBondContact CE1-OD2 3.48Å; H453-D506 IonicContact CG-OD1 3.99Å; H453-D506 IonicContact CG-OD2 3.39Å; H453-D506 PolarHBondContact N-OD1 2.83Å; H453-D506 IonicContact ND1-OD1 2.65Å; H453-D506 PolarHBondContact ND1-OD1 2.98Å; H453-D506 IonicContact ND1-OD2 2.67Å; H453-D506 PolarHBondContact ND1-OD2 3.31Å; Y498-D506 HydrophobicContact CD2-CB 3.7Å; Y498-D506 HydrophobicContact CE2-CB 3.64Å; Y498-D506 WeakPolarHBondContact CE2-OD1 3.26Å; D506-S619 WeakPolarHBondContact CB-OG 3.37Å; D506-S619 WeakPolarHBondContact OD2-CA 3.32Å; D506-S619 VanDerWaalsContact OD2-CB 3.31Å; D506-S619 WeakPolarHBondContact OD2-CB 3.48Å; D506-S619 PolarHBondContact OD2-OG 2.96Å; D506-T634 WeakPolarHBondContact O-CB 3.26Å; D506-T634 PolarHBondContact O-OG1 3.45Å
507	I	98	Very high	91.4	Very high	0 Å²	0	39.7 Å²	39.7	0%	0	21%	0.208	C	C	.	.			trans	-148.4	140.6	-178.6	-162.3	172.1	0	0	0	110.8	L449 H495 S505 T634 F639 W642 V643	L449-I507 HydrophobicContact CD1-CD1 4.01Å; L449-I507 HydrophobicContact CD1-CG1 3.88Å; H495-I507 HydrophobicContact CB-CG2 3.74Å; H495-I507 PolarHBondContact N-O 2.82Å; S505-I507 VanDerWaalsContact C-N 3.26Å; S505-I507 PolarHBondContact O-N 2.99Å; I507-T634 HydrophobicContact CB-CG2 4.22Å; I507-F639 HydrophobicContact CD1-CB 3.7Å; I507-F639 HydrophobicContact CD1-CD2 4.43Å; I507-F639 HydrophobicContact CD1-CG 4.17Å; I507-F639 HydrophobicContact CG2-CB 4.4Å; I507-F639 HydrophobicContact CG2-CD1 3.96Å; I507-F639 HydrophobicContact CG2-CD2 4.4Å; I507-F639 HydrophobicContact CG2-CE1 4.42Å; I507-F639 HydrophobicContact CG2-CG 3.97Å; I507-W642 HydrophobicContact CB-CZ3 4.35Å; I507-W642 HydrophobicContact CD1-CE3 4.34Å; I507-W642 HydrophobicContact CD1-CZ3 4.1Å; I507-W642 HydrophobicContact CG1-CZ3 3.91Å; I507-W642 HydrophobicContact CG2-CE3 3.93Å; I507-W642 HydrophobicContact CG2-CH2 4.18Å; I507-W642 HydrophobicContact CG2-CZ3 3.71Å; I507-V643 HydrophobicContact CD1-CG2 4.24Å
508	A	98.1	Very high	91.1	Very high	0 Å²	0	38 Å²	38	0%	0	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.8	151.8	177.6	0	0	0	0	0	112.6	T450 A451 V455 I493 A494	T450-A508 HydrophobicContact CG2-CB 4.25Å; T450-A508 PolarHBondContact N-O 3.2Å; T450-A508 PolarHBondContact O-N 2.77Å; A451-A508 WeakPolarHBondContact O-CB 3.5Å; V455-A508 HydrophobicContact CG1-CB 4.2Å; V455-A508 HydrophobicContact CG2-CB 3.54Å; I493-A508 CarbonylContact O-C 3.48Å; I493-A508 WeakPolarHBondContact O-CA 3.49Å; I493-A508 WeakPolarHBondContact O-CB 3.31Å; A494-A508 HydrophobicContact CB-CB 4.4Å
509	I	97.9	Very high	90.6	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.005	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	125.3	169.9	-61.7	177.2	0	0	0	109.4	L447 V448 L449 I493 W642 V643 T646 I647 L650	L447-I509 HydrophobicContact CD2-CG2 4.39Å; V448-I509 WeakPolarHBondContact O-CA 3.3Å; L449-I509 HydrophobicContact CD1-CG1 3.91Å; I493-I509 PolarHBondContact N-O 2.84Å; I493-I509 PolarHBondContact O-N 3.24Å; I509-W642 HydrophobicContact CD1-CH2 4.28Å; I509-W642 HydrophobicContact CD1-CZ3 4.13Å; I509-W642 HydrophobicContact CG1-CH2 3.95Å; I509-W642 HydrophobicContact CG1-CZ3 4Å; I509-V643 HydrophobicContact CD1-CB 4.44Å; I509-V643 HydrophobicContact CD1-CG1 4.05Å; I509-V643 HydrophobicContact CD1-CG2 4.5Å; I509-T646 HydrophobicContact CD1-CG2 3.92Å; I509-I647 HydrophobicContact CD1-CD1 4.13Å; I509-I647 HydrophobicContact CD1-CG1 3.99Å; I509-L650 HydrophobicContact CG2-CD1 3.83Å
510	I	97.5	Very high	90.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96	127.7	169.7	-70.5	174.4	0	0	0	107.8	V423 V448 T450 V455 V470 V489 M492 L512	V423-I510 HydrophobicContact CG1-CD1 3.88Å; V423-I510 HydrophobicContact CG2-CD1 4.07Å; V448-I510 HydrophobicContact CB-CB 4.08Å; V448-I510 HydrophobicContact CB-CG2 4.41Å; V448-I510 HydrophobicContact CG1-CB 4.42Å; V448-I510 PolarHBondContact N-O 2.79Å; V448-I510 PolarHBondContact O-N 2.8Å; T450-I510 HydrophobicContact CG2-CD1 3.73Å; T450-I510 HydrophobicContact CG2-CG1 4.07Å; V455-I510 HydrophobicContact CG1-CD1 3.93Å; V455-I510 HydrophobicContact CG1-CG1 3.92Å; V470-I510 HydrophobicContact CG2-CG2 4.31Å; V489-I510 HydrophobicContact CB-CG2 4.44Å; V489-I510 HydrophobicContact CG1-CG2 4.03Å; V489-I510 HydrophobicContact CG2-CG2 3.79Å; M492-I510 HydrophobicContact CG-CG1 4.1Å; M492-I510 HydrophobicContact SD-CG1 4.32Å; I510-L512 HydrophobicContact CG2-CD2 4.2Å
511	Q	95.4	Very high	90.4	Very high	3 Å²	3	37.5 Å²	37.5	1%	0.014	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	130.7	164.2	-165.3	-172.5	14.6	0	0	109.4	D446 L447 K490 R491 L650	D446-Q511 CarbonylContact O-C 3.4Å; D446-Q511 WeakPolarHBondContact O-CA 3.33Å; D446-Q511 WeakPolarHBondContact OD2-CG 3.29Å; D446-Q511 PolarHBondContact OD2-NE2 2.87Å; L447-Q511 HydrophobicContact CD2-CG 4.39Å; K490-Q511 WeakPolarHBondContact CB-O 3.38Å; K490-Q511 PolarHBondContact N-O 3.45Å; R491-Q511 HydrophobicContact CG-CB 3.95Å; R491-Q511 VanDerWaalsContact CZ-OE1 3.23Å; R491-Q511 PolarHBondContact N-O 3.26Å; R491-Q511 PolarHBondContact O-N 3.34Å; Q511-L650 HydrophobicContact CB-CD2 4.5Å
512	L	93.9	Very high	90.5	Very high	0 Å²	0	31.9 Å²	31.9	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	160	175.1	-56.1	-178.9	0	0	0	111.9	D446 V448 V470 I472 V487 R488 K490 I510 Y514 V516	D446-L512 HydrophobicContact CB-CB 4.36Å; D446-L512 PolarHBondContact O-N 2.58Å; V448-L512 HydrophobicContact CG2-CD1 4.46Å; V448-L512 HydrophobicContact CG2-CD2 4.34Å; V448-L512 HydrophobicContact CG2-CG 4.49Å; V470-L512 HydrophobicContact CB-CD2 3.88Å; V470-L512 HydrophobicContact CG2-CD2 3.66Å; I472-L512 HydrophobicContact CD1-CD1 4.41Å; V487-L512 HydrophobicContact CB-CB 4.46Å; V487-L512 HydrophobicContact CB-CD1 4.37Å; V487-L512 HydrophobicContact CG1-CB 3.94Å; R488-L512 CarbonylContact O-C 3.28Å; R488-L512 WeakPolarHBondContact O-CA 3.14Å; K490-L512 WeakPolarHBondContact CB-O 3.33Å; I510-L512 HydrophobicContact CG2-CD2 4.2Å; L512-Y514 VanDerWaalsContact C-N 3.32Å; L512-Y514 WeakPolarHBondContact CB-O 3.23Å; L512-Y514 PolarHBondContact O-N 2.8Å; L512-V516 HydrophobicContact CD1-CG1 4.02Å; L512-V516 HydrophobicContact CD1-CG2 4.43Å
513	E	90.2	Very high	90.9	Very high	63 Å²	63	31.3 Å²	31.3	29%	0.294	15%	0.15	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	-39.8	175.4	-159.1	-173.4	158.8	0	0	112	V487 R488	V487-E513 HydrophobicContact CG1-CB 4.23Å; R488-E513 HydrophobicContact CB-CB 4.27Å; R488-E513 WeakPolarHBondContact CB-OE2 2.95Å; R488-E513 VanDerWaalsContact CD-OE2 3.31Å; R488-E513 WeakPolarHBondContact CD-OE2 3.36Å; R488-E513 PolarHBondContact O-N 2.94Å
514	Y	86.2	Confident	91.2	Very high	150 Å²	150	30.6 Å²	30.6	59%	0.588	15%	0.146	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-139.3	152.4	178.1	-52.7	-75.2	0	0	0	110.2	L512	L512-Y514 VanDerWaalsContact C-N 3.32Å; L512-Y514 WeakPolarHBondContact CB-O 3.23Å; L512-Y514 PolarHBondContact O-N 2.8Å
515	P	87.5	Confident	91.5	Very high	52 Å²	52	27.6 Å²	27.6	34%	0.338	13%	0.132	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	135.3	178.3	28.4	-34.5	0	0	0	112.6	M444 T445 D446	M444-P515 HydrophobicContact CB-CB 4.12Å; M444-P515 HydrophobicContact CG-CB 3.75Å; M444-P515 HydrophobicContact CG-CG 4.19Å; M444-P515 HydrophobicContact SD-CB 3.86Å; M444-P515 HydrophobicContact SD-CG 3.59Å; M444-P515 VanDerWaalsContact SD-CG 3.59Å; T445-P515 CarbonylContact O-C 3.4Å; T445-P515 VanDerWaalsContact O-CA 3.29Å; T445-P515 WeakPolarHBondContact O-CA 3.43Å; D446-P515 HydrophobicContact CB-CB 4.02Å
516	V	83	Confident	91.4	Very high	0 Å²	0	27.6 Å²	27.6	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.8	136.1	171.1	-67.7	0	0	0	0	110.9	L435 M444 T445 I472 Q485 V487 L512 V522	L435-V516 HydrophobicContact CD1-CG2 4.03Å; L435-V516 HydrophobicContact CD2-CG2 3.68Å; M444-V516 CarbonylContact C-O 3.59Å; M444-V516 WeakPolarHBondContact CA-O 3.39Å; M444-V516 WeakPolarHBondContact CB-O 3.47Å; T445-V516 HydrophobicContact CG2-CG2 4.27Å; T445-V516 PolarHBondContact N-O 2.88Å; T445-V516 VanDerWaalsContact O-CG2 3.28Å; T445-V516 WeakPolarHBondContact O-CG2 3.35Å; T445-V516 PolarHBondContact O-N 2.91Å; I472-V516 HydrophobicContact CD1-CG1 3.91Å; I472-V516 HydrophobicContact CG1-CG1 4.21Å; Q485-V516 HydrophobicContact CB-CG1 3.92Å; Q485-V516 VanDerWaalsContact OE1-CA 3.27Å; V487-V516 HydrophobicContact CG2-CG1 3.68Å; L512-V516 HydrophobicContact CD1-CG1 4.02Å; L512-V516 HydrophobicContact CD1-CG2 4.43Å; V516-V522 HydrophobicContact CG2-CG1 4.4Å
517	Q	83.5	Confident	91.3	Very high	109 Å²	109	28.3 Å²	28.3	51%	0.509	14%	0.136	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	141.9	179.5	-61.3	-175.9	28.6	0	0	110.9	Q485	Q485-Q517 PolarHBondContact NE2-O 3Å
518	F	87.1	Confident	91.1	Very high	28 Å²	28	28.3 Å²	28.3	12%	0.123	14%	0.136	C	C	.	.	P	Polyproline II helix	trans	-76.4	142.3	177.7	-55.2	-22.2	0	0	0	111.4	Q437 V442 M443 M444 T445 V522 P524	Q437-F518 HydrophobicContact CB-CZ 4.02Å; Q437-F518 HydrophobicContact CG-CE2 4.1Å; Q437-F518 HydrophobicContact CG-CZ 3.92Å; V442-F518 WeakPolarHBondContact O-CE2 3.07Å; M443-F518 HydrophobicContact CB-CD2 4.34Å; M443-F518 WeakPolarHBondContact O-CG 3.48Å; M443-F518 PolarHBondContact O-N 3.15Å; M443-F518 HydrophobicContact SD-CD2 4.49Å; M444-F518 VanDerWaalsContact C-CZ 3.45Å; T445-F518 HydrophobicContact CG2-CE1 3.85Å; T445-F518 HydrophobicContact CG2-CZ 4.3Å; F518-V522 CarbonylContact C-O 3.56Å; F518-V522 VanDerWaalsContact CA-O 3.23Å; F518-V522 WeakPolarHBondContact CA-O 3.5Å; F518-P524 HydrophobicContact CD2-CG 4.47Å; F518-P524 HydrophobicContact CE1-CB 4.45Å; F518-P524 HydrophobicContact CE1-CG 4.11Å; F518-P524 HydrophobicContact CE2-CG 3.82Å; F518-P524 HydrophobicContact CZ-CB 4.22Å; F518-P524 HydrophobicContact CZ-CG 3.63Å
519	S	85.4	Confident	90.8	Very high	41 Å²	41	31.1 Å²	31.1	29%	0.287	15%	0.154	S	C	.	.			trans	-146.6	-170.4	-173.6	81.3	0	0	0	0	110.6	T521 V522 Q523	S519-T521 PolarHBondContact O-N 3.22Å; S519-T521 PolarHBondContact OG-N 2.76Å; S519-T521 PolarHBondContact OG-OG1 3.47Å; S519-V522 PolarHBondContact N-O 2.82Å; S519-V522 PolarHBondContact OG-N 3.49Å; S519-Q523 PolarHBondContact O-NE2 2.75Å
520	K	87	Confident	90.6	Very high	80 Å²	80	36.8 Å²	36.8	35%	0.348	18%	0.181	S	C	.	.	S	Bend	trans	-63.3	-25.7	167.9	-68.5	-174.3	177.4	-179.9	0	113	E37 W393 Y394	E37-K520 IonicContact OE1-NZ 3.21Å; W393-K520 HydrophobicContact CB-CB 4.12Å; W393-K520 HydrophobicContact CB-CG 4.39Å; W393-K520 HydrophobicContact CD2-CD 4.06Å; W393-K520 HydrophobicContact CD2-CG 3.86Å; W393-K520 HydrophobicContact CE3-CG 4.26Å; W393-K520 HydrophobicContact CG-CB 4.06Å; W393-K520 HydrophobicContact CG-CD 4.07Å; W393-K520 HydrophobicContact CG-CG 3.87Å; Y394-K520 HydrophobicContact CE2-CB 3.89Å; Y394-K520 HydrophobicContact CE2-CD 4.47Å
521	T	86	Confident	90.1	Very high	11 Å²	11	39.5 Å²	39.5	7%	0.067	21%	0.208	C	C	.	.	S	Bend	trans	-109.7	-6	-172.7	61.4	0	0	0	0	113.5	Y394 H415 P418 G473 S519	Y394-T521 HydrophobicContact CE2-CG2 4.22Å; H415-T521 HydrophobicContact CB-CG2 3.61Å; H415-T521 VanDerWaalsContact CG-CG2 3.4Å; P418-T521 WeakPolarHBondContact CA-O 3.44Å; P418-T521 VanDerWaalsContact CB-C 3.47Å; P418-T521 VanDerWaalsContact CB-O 3.26Å; P418-T521 WeakPolarHBondContact CB-O 3.42Å; G473-T521 WeakPolarHBondContact CA-O 3.46Å; S519-T521 PolarHBondContact O-N 3.22Å; S519-T521 PolarHBondContact OG-N 2.76Å; S519-T521 PolarHBondContact OG-OG1 3.47Å
522	V	90	Very high	89.7	Confident	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.219	C	C	.	.			trans	-135.7	112.4	-176.8	-178.9	0	0	0	0	109.3	P418 L435 I472 V516 F518 S519	P418-V522 WeakPolarHBondContact O-CA 3.27Å; L435-V522 HydrophobicContact CD1-CG1 3.51Å; I472-V522 HydrophobicContact CG2-CB 4.39Å; I472-V522 HydrophobicContact CG2-CG1 3.64Å; I472-V522 HydrophobicContact CG2-CG2 3.85Å; V516-V522 HydrophobicContact CG2-CG1 4.4Å; F518-V522 CarbonylContact C-O 3.56Å; F518-V522 VanDerWaalsContact CA-O 3.23Å; F518-V522 WeakPolarHBondContact CA-O 3.5Å; S519-V522 PolarHBondContact N-O 2.82Å; S519-V522 PolarHBondContact OG-N 3.49Å
523	Q	92	Very high	89.1	Confident	37 Å²	37	50 Å²	50	17%	0.173	26%	0.255	C	S	.	.			trans	-147.2	148.8	179	-70.1	-66.3	-33.4	0	0	109.4	P418 W419 S519	P418-Q523 CarbonylContact C-O 3.53Å; P418-Q523 HydrophobicContact CB-CB 4.22Å; P418-Q523 HydrophobicContact CG-CB 3.88Å; P418-Q523 HydrophobicContact CG-CG 4.24Å; P418-Q523 PolarHBondContact O-N 2.04Å; W419-Q523 WeakPolarHBondContact CA-O 3.08Å; W419-Q523 VanDerWaalsContact CB-O 3.27Å; W419-Q523 WeakPolarHBondContact CB-O 3.48Å; W419-Q523 PolarHBondContact N-O 2.88Å; S519-Q523 PolarHBondContact O-NE2 2.75Å
524	P	94.7	Very high	88.7	Confident	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.252	C	S	.	.	P	Polyproline II helix	trans	-79.4	149.4	176	33.8	-33.8	0	0	0	111.4	N388 C389 G390 L435 Q437 F518	N388-P524 VanDerWaalsContact O-CG 3.29Å; N388-P524 WeakPolarHBondContact O-CG 3.2Å; C389-P524 CarbonylContact C-O 3.52Å; C389-P524 WeakPolarHBondContact CA-O 3.38Å; C389-P524 HydrophobicContact CB-CG 4.3Å; G390-P524 PolarHBondContact N-O 3.37Å; L435-P524 CarbonylContact O-C 3.54Å; L435-P524 VanDerWaalsContact O-CA 3.3Å; L435-P524 WeakPolarHBondContact O-CA 3.44Å; Q437-P524 HydrophobicContact CB-CB 3.48Å; Q437-P524 VanDerWaalsContact CB-CB 3.48Å; Q437-P524 HydrophobicContact CB-CG 3.53Å; Q437-P524 HydrophobicContact CG-CG 4.29Å; F518-P524 HydrophobicContact CD2-CG 4.47Å; F518-P524 HydrophobicContact CE1-CB 4.45Å; F518-P524 HydrophobicContact CE1-CG 4.11Å; F518-P524 HydrophobicContact CE2-CG 3.82Å; F518-P524 HydrophobicContact CZ-CB 4.22Å; F518-P524 HydrophobicContact CZ-CG 3.63Å
525	I	95.2	Very high	88.7	Confident	2 Å²	2	48.1 Å²	48.1	1%	0.01	26%	0.256	C	S	.	.	B	Isolated β-bridge	trans	-78	152.8	170.5	-164.1	57.4	0	0	0	110.4	W419 T434 L435 I436 L527 V605 W612 Q614	W419-I525 HydrophobicContact CB-CB 3.84Å; W419-I525 HydrophobicContact CD2-CB 4.3Å; W419-I525 HydrophobicContact CD2-CD1 3.67Å; W419-I525 HydrophobicContact CD2-CG1 4.44Å; W419-I525 HydrophobicContact CE3-CD1 3.98Å; W419-I525 HydrophobicContact CG-CB 3.88Å; W419-I525 HydrophobicContact CG-CD1 4.03Å; W419-I525 HydrophobicContact CG-CG1 4.32Å; W419-I525 HydrophobicContact CH2-CD1 4.49Å; W419-I525 HydrophobicContact CZ2-CD1 4.19Å; W419-I525 HydrophobicContact CZ3-CD1 4.38Å; T434-I525 HydrophobicContact CG2-CB 4.29Å; T434-I525 HydrophobicContact CG2-CG2 3.8Å; L435-I525 PolarHBondContact O-N 3.35Å; I436-I525 HydrophobicContact CG2-CG2 4.02Å; I525-L527 HydrophobicContact CG2-CD2 4.25Å; I525-V605 HydrophobicContact CD1-CB 4.22Å; I525-V605 HydrophobicContact CD1-CG1 3.72Å; I525-V605 HydrophobicContact CG1-CG1 3.87Å; I525-W612 HydrophobicContact CD1-CB 3.54Å; I525-W612 WeakPolarHBondContact CD1-O 3.44Å; I525-Q614 HydrophobicContact CG1-CB 3.81Å; I525-Q614 HydrophobicContact CG2-CB 4.01Å
526	C	94.6	Very high	88.5	Confident	2 Å²	2	50.6 Å²	50.6	1%	0.014	27%	0.27	C	S	.	.	B	Isolated β-bridge	trans	-80.8	146.3	168.2	-62.2	0	0	0	0	110.5	Y386 C389 G390 W612 V613 Q614	Y386-C526 HydrophobicContact CD1-CB 3.86Å; Y386-C526 VanDerWaalsContact CD1-SG 3.55Å; Y386-C526 HydrophobicContact CE1-CB 3.97Å; C389-C526 HydrophobicContact CB-CB 4.04Å; C389-C526 WeakPolarHBondContact CB-SG 3.5Å; C389-C526 PolarHBondContact O-SG 3.42Å; C389-C526 VanDerWaalsContact O-SG 3.33Å; C389-C526 WeakPolarHBondContact SG-CA 3.35Å; C389-C526 WeakPolarHBondContact SG-CB 3.33Å; C389-C526 CovalentContact SG-SG 2.05Å; C389-C526 PolarHBondContact SG-SG 2.65Å; G390-C526 PolarHBondContact N-SG 3.47Å; G390-C526 VanDerWaalsContact N-SG 3.41Å; C526-W612 WeakPolarHBondContact CB-O 3.36Å; C526-W612 PolarHBondContact N-O 3.44Å; C526-V613 HydrophobicContact CB-CG2 4.08Å; C526-V613 CarbonylContact O-C 3.56Å; C526-V613 VanDerWaalsContact O-CA 3.3Å; C526-V613 WeakPolarHBondContact O-CA 3.23Å; C526-Q614 PolarHBondContact O-N 2.91Å
527	L	94.9	Very high	88.2	Confident	15 Å²	15	52.7 Å²	52.7	8%	0.079	29%	0.292	C	S	.	.	P	Polyproline II helix	trans	-102.5	146	173.4	-59.5	-176.8	0	0	0	110.9	I436 F438 L449 I525 Q614 V636 V643	I436-L527 HydrophobicContact CB-CD1 4.45Å; I436-L527 HydrophobicContact CG2-CD1 4.08Å; I436-L527 HydrophobicContact CG2-CD2 3.83Å; I436-L527 HydrophobicContact CG2-CG 4.18Å; F438-L527 HydrophobicContact CE2-CD1 3.84Å; F438-L527 HydrophobicContact CZ-CD1 3.72Å; L449-L527 HydrophobicContact CD2-CD2 4.21Å; I525-L527 HydrophobicContact CG2-CD2 4.25Å; L527-Q614 HydrophobicContact CD2-CB 4.2Å; L527-V636 HydrophobicContact CD2-CG1 4.06Å; L527-V643 HydrophobicContact CD1-CG1 4Å
528	P	93.4	Very high	88.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.006	28%	0.277	C	S	.	.	P	Polyproline II helix	trans	-63.8	151.5	175.7	27.6	-36.2	0	0	0	110.8	Q532 V613 Q614 V636 R640	P528-Q532 HydrophobicContact CB-CB 4.08Å; P528-Q532 VanDerWaalsContact CB-OE1 3.23Å; P528-V613 HydrophobicContact CB-CG1 4.08Å; P528-Q614 WeakPolarHBondContact CD-O 3.42Å; P528-V636 HydrophobicContact CG-CB 4.24Å; P528-V636 HydrophobicContact CG-CG1 4.08Å; P528-R640 VanDerWaalsContact O-CD 3.3Å; P528-R640 WeakPolarHBondContact O-CD 3.42Å; P528-R640 PolarHBondContact O-NH1 3.03Å
529	P	92.2	Very high	87.6	Confident	59 Å²	59	52.8 Å²	52.8	38%	0.383	30%	0.295	S	S	.	.	P	Polyproline II helix	trans	-63.4	157.9	160.8	29	-33	0	0	0	110.7	Q532	P529-Q532 HydrophobicContact CG-CB 4.23Å; P529-Q532 WeakPolarHBondContact O-CB 3.15Å; P529-Q532 PolarHBondContact O-N 3Å
530	E	92.7	Very high	87.4	Confident	120 Å²	120	50.9 Å²	50.9	56%	0.561	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.6	139.3	179.7	-176	173	-125.5	0	0	111.8	Q532 G637 R640 S641	E530-Q532 PolarHBondContact O-N 3.22Å; E530-Q532 VanDerWaalsContact O-N 3.16Å; E530-G637 WeakPolarHBondContact CA-O 3.46Å; E530-R640 HydrophobicContact CB-CB 3.98Å; E530-R640 HydrophobicContact CB-CG 4.1Å; E530-R640 HydrophobicContact CG-CB 4.44Å; E530-S641 VanDerWaalsContact OE1-CB 3.27Å; E530-S641 WeakPolarHBondContact OE1-CB 3.5Å; E530-S641 PolarHBondContact OE1-OG 2.81Å; E530-S641 PolarHBondContact OE2-OG 3.5Å
531	G	86.9	Confident	86.8	Confident	56 Å²	56	47 Å²	47	58%	0.577	27%	0.265	S	S	*	.	T	Hydrogen-bonded Turn	trans	68.5	7.7	179.1	0	0	0	0	0	115.1	K533 G637	G531-K533 PolarHBondContact O-N 3.24Å; G531-K533 VanDerWaalsContact O-N 3.12Å; G531-G637 PolarHBondContact N-O 2.89Å
532	Q	86.9	Confident	85.7	Confident	50 Å²	50	46.5 Å²	46.5	23%	0.234	26%	0.262	C	S	.	.	P	Polyproline II helix	trans	-60.5	119.1	172.8	-172.8	-179.9	9.1	0	0	109.7	P528 P529 E530	P528-Q532 HydrophobicContact CB-CB 4.08Å; P528-Q532 VanDerWaalsContact CB-OE1 3.23Å; P529-Q532 HydrophobicContact CG-CB 4.23Å; P529-Q532 WeakPolarHBondContact O-CB 3.15Å; P529-Q532 PolarHBondContact O-N 3Å; E530-Q532 PolarHBondContact O-N 3.22Å; E530-Q532 VanDerWaalsContact O-N 3.16Å
533	K	80.8	Confident	84.4	Confident	174 Å²	174	46.7 Å²	46.7	76%	0.757	26%	0.263	S	S	*	.	P	Polyproline II helix	trans	-74.1	143.2	176.4	-61.7	-173.9	178.2	-175.3	0	110.8	G531	G531-K533 PolarHBondContact O-N 3.24Å; G531-K533 VanDerWaalsContact O-N 3.12Å
534	A	82.2	Confident	82.8	Confident	29 Å²	29	45.2 Å²	45.2	24%	0.24	26%	0.256	C	S	.	.	P	Polyproline II helix	trans	-73.3	141.5	160	0	0	0	0	0	109.1	F562 L584	A534-F562 HydrophobicContact CB-CD1 4.09Å; A534-F562 HydrophobicContact CB-CD2 3.67Å; A534-F562 HydrophobicContact CB-CE1 4.11Å; A534-F562 HydrophobicContact CB-CE2 3.68Å; A534-F562 HydrophobicContact CB-CG 3.89Å; A534-F562 HydrophobicContact CB-CZ 3.92Å; A534-L584 HydrophobicContact CB-CD2 3.91Å
535	E	86.3	Confident	80.8	Confident	144 Å²	144	46 Å²	46	67%	0.673	26%	0.26	S	S	*	.	P	Polyproline II helix	trans	-99.8	126.7	176.4	-68.3	-177.1	-175.5	0	0	109.5	G537 E538	E535-G537 PolarHBondContact O-N 3.09Å; E535-E538 HydrophobicContact CB-CB 4.23Å; E535-E538 PolarHBondContact N-OE2 2.85Å; E535-E538 WeakPolarHBondContact O-CB 3.49Å; E535-E538 PolarHBondContact O-N 3.11Å
536	V	83.1	Confident	78.3	Confident	104 Å²	104	48 Å²	48	63%	0.63	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	126.2	-178.9	179.6	0	0	0	0	109.3	D564	V536-D564 HydrophobicContact CG2-CB 4.28Å
537	G	77.8	Confident	75.4	Confident	45 Å²	45	50.2 Å²	50.2	46%	0.464	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	89.6	-8.2	-173	0	0	0	0	0	115.6	E535 I539 F562	E535-G537 PolarHBondContact O-N 3.09Å; G537-I539 PolarHBondContact O-N 3.49Å; G537-F562 PolarHBondContact N-O 3.01Å
538	E	81.5	Confident	72.7	Confident	43 Å²	43	53.1 Å²	53.1	20%	0.201	30%	0.304	C	S	.	.			trans	-61.5	125.9	167.7	173.8	-170.7	-165.1	0	0	109	E535 P561 F562 C606 K615	E535-E538 HydrophobicContact CB-CB 4.23Å; E535-E538 PolarHBondContact N-OE2 2.85Å; E535-E538 WeakPolarHBondContact O-CB 3.49Å; E535-E538 PolarHBondContact O-N 3.11Å; E538-P561 WeakPolarHBondContact O-CA 3.5Å; E538-F562 HydrophobicContact CB-CD2 4.08Å; E538-F562 HydrophobicContact CG-CD2 4.42Å; E538-F562 PolarHBondContact O-N 3.5Å; E538-F562 WeakPolarHBondContact OE2-CE2 3.04Å; E538-C606 WeakPolarHBondContact OE1-CB 3.45Å; E538-K615 WeakPolarHBondContact OE1-CE 3.47Å; E538-K615 IonicContact OE1-NZ 3.41Å; E538-K615 PolarHBondContact OE1-NZ 2.93Å; E538-K615 IonicContact OE2-NZ 3.95Å; E538-K615 PolarHBondContact OE2-NZ 2.03Å
539	I	76.3	Confident	69.8	Low	95 Å²	95	57.6 Å²	57.6	49%	0.487	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	123.9	-175.4	-57.8	178.4	0	0	0	109.6	G537 Y559	G537-I539 PolarHBondContact O-N 3.49Å; I539-Y559 HydrophobicContact CG2-CD1 3.68Å; I539-Y559 HydrophobicContact CG2-CG 4.34Å
540	C	80	Confident	67.2	Low	1 Å²	1	63.2 Å²	63.2	1%	0.007	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	161.4	-178.5	-54.7	0	0	0	0	111.6	V560 F562 L604 V605 C606	C540-V560 PolarHBondContact N-O 3.24Å; C540-V560 PolarHBondContact O-N 2.85Å; C540-F562 WeakPolarHBondContact SG-CE2 3.31Å; C540-L604 HydrophobicContact CB-CD1 3.65Å; C540-L604 HydrophobicContact CB-CG 4.03Å; C540-V605 WeakPolarHBondContact CA-O 3.38Å; C540-V605 WeakPolarHBondContact CB-O 3.41Å; C540-C606 HydrophobicContact CB-CB 4.05Å; C540-C606 WeakPolarHBondContact CB-SG 3.05Å; C540-C606 WeakPolarHBondContact SG-CB 3.06Å; C540-C606 CovalentContact SG-SG 2.04Å; C540-C606 PolarHBondContact SG-SG 2.7Å
541	L	75.5	Confident	64.9	Low	0 Å²	0	66.3 Å²	66.3	0%	0	37%	0.365	C	S	.	.	B	Isolated β-bridge	trans	-106.4	112.1	173.2	-78	-178.9	0	0	0	109.7	P396 L417 P543 Q557 V558 Y559 V605 W612	P396-L541 HydrophobicContact CB-CD1 4.12Å; L417-L541 HydrophobicContact CD2-CD1 4.25Å; L541-P543 WeakPolarHBondContact O-CD 3.47Å; L541-Q557 HydrophobicContact CD2-CB 4.17Å; L541-V558 WeakPolarHBondContact CD2-O 3.12Å; L541-Y559 HydrophobicContact CD1-CE1 4.2Å; L541-Y559 HydrophobicContact CD2-CD1 3.49Å; L541-Y559 VanDerWaalsContact CD2-CD1 3.49Å; L541-Y559 HydrophobicContact CD2-CD2 3.99Å; L541-Y559 HydrophobicContact CD2-CE1 3.26Å; L541-Y559 HydrophobicContact CD2-CE2 3.77Å; L541-Y559 HydrophobicContact CD2-CG 3.85Å; L541-Y559 HydrophobicContact CG-CD1 4.02Å; L541-Y559 HydrophobicContact CG-CE1 3.53Å; L541-V605 HydrophobicContact CB-CG2 4.01Å; L541-V605 PolarHBondContact N-O 2.59Å; L541-V605 VanDerWaalsContact O-CG2 3.29Å; L541-V605 WeakPolarHBondContact O-CG2 3.18Å; L541-V605 PolarHBondContact O-N 2.6Å; L541-W612 HydrophobicContact CB-CZ3 4.37Å; L541-W612 HydrophobicContact CD1-CH2 3.55Å; L541-W612 HydrophobicContact CD1-CZ2 4.3Å; L541-W612 HydrophobicContact CD1-CZ3 3.82Å; L541-W612 HydrophobicContact CG-CH2 4.21Å; L541-W612 HydrophobicContact CG-CZ3 4.15Å
542	P	63.7	Low	63.5	Low	0 Å²	0	67.2 Å²	67.2	0%	0	36%	0.356	C	S	.	.			trans	-81.8	111	148.9	24.2	-17.1	0	0	0	108.3	L544 V558 V560 P603 L604 Y633	P542-L544 HydrophobicContact CB-CD2 3.85Å; P542-L544 HydrophobicContact CG-CD2 4.22Å; P542-L544 WeakPolarHBondContact O-CD2 3.45Å; P542-L544 PolarHBondContact O-N 3.21Å; P542-V558 WeakPolarHBondContact CD-O 3.39Å; P542-V558 HydrophobicContact CG-CG1 3.6Å; P542-V558 PolarHBondContact O-N 2.71Å; P542-V560 HydrophobicContact CG-CG2 3.95Å; P542-P603 VanDerWaalsContact CA-O 3.29Å; P542-P603 WeakPolarHBondContact CA-O 3.4Å; P542-L604 HydrophobicContact CB-CD1 3.97Å; P542-L604 VanDerWaalsContact CD-CD1 3.5Å; P542-L604 HydrophobicContact CG-CD1 3.73Å; P542-Y633 HydrophobicContact CB-CE1 4.4Å
543	P	61.4	Low	62.8	Low	4 Å²	4	66.7 Å²	66.7	3%	0.026	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.8	127.3	156.3	20.1	-30.2	0	0	0	109.1	L417 L541 L555 M556 P603	L417-P543 HydrophobicContact CD1-CB 3.81Å; L541-P543 WeakPolarHBondContact O-CD 3.47Å; P543-L555 HydrophobicContact CB-CD1 4.1Å; P543-M556 WeakPolarHBondContact CA-O 3.48Å; P543-P603 HydrophobicContact CG-CG 3.47Å; P543-P603 VanDerWaalsContact CG-CG 3.47Å
544	L	57.7	Low	62.6	Low	6 Å²	6	60 Å²	60	3%	0.031	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.6	129.2	-179.8	-53.7	-170.1	0	0	0	108.8	P542 I546 M556 V558 A595 D599	P542-L544 HydrophobicContact CB-CD2 3.85Å; P542-L544 HydrophobicContact CG-CD2 4.22Å; P542-L544 WeakPolarHBondContact O-CD2 3.45Å; P542-L544 PolarHBondContact O-N 3.21Å; L544-I546 HydrophobicContact CB-CG1 4.15Å; L544-M556 HydrophobicContact CB-CB 4.13Å; L544-M556 PolarHBondContact N-O 3.08Å; L544-M556 WeakPolarHBondContact O-CA 3.5Å; L544-M556 WeakPolarHBondContact O-CB 3.08Å; L544-M556 PolarHBondContact O-N 2.96Å; L544-V558 HydrophobicContact CD1-CB 4.14Å; L544-V558 HydrophobicContact CD1-CG1 3.76Å; L544-V558 HydrophobicContact CD2-CG1 4.13Å; L544-V558 HydrophobicContact CG-CG1 4.03Å; L544-A595 HydrophobicContact CD2-CB 3.85Å; L544-D599 WeakPolarHBondContact CA-OD1 3.09Å; L544-D599 VanDerWaalsContact CB-OD1 3.23Å; L544-D599 WeakPolarHBondContact CB-OD1 3.49Å; L544-D599 HydrophobicContact CD2-CB 4.07Å; L544-D599 WeakPolarHBondContact CD2-OD2 3.48Å
545	I	53.9	Low	62.5	Low	15 Å²	15	59.1 Å²	59.1	8%	0.077	32%	0.318	C	S	.	.			trans	-103.4	81.8	168.6	-58.7	175.8	0	0	0	106.2	H429 L477 A547 L555 D599	H429-I545 VanDerWaalsContact CE1-CG2 3.46Å; H429-I545 WeakPolarHBondContact CE1-CG2 3.14Å; L477-I545 HydrophobicContact CD1-CG2 3.7Å; L477-I545 HydrophobicContact CG-CG2 4.41Å; I545-A547 VanDerWaalsContact C-N 3.25Å; I545-A547 PolarHBondContact O-N 2.6Å; I545-L555 HydrophobicContact CD1-CD1 4.26Å; I545-L555 HydrophobicContact CG1-CD1 3.52Å; I545-D599 PolarHBondContact N-OD1 2.04Å
546	I	42.1	Very low	62.1	Low	45 Å²	45	53.2 Å²	53.2	23%	0.231	29%	0.29	C	S	.	.			trans	-69	88.2	176.4	-52.4	-176.4	0	0	0	108.2	L544 D548 M556	L544-I546 HydrophobicContact CB-CG1 4.15Å; I546-D548 VanDerWaalsContact C-N 3.28Å; I546-D548 HydrophobicContact CG2-CB 4.37Å; I546-M556 HydrophobicContact CD1-CB 4.29Å; I546-M556 HydrophobicContact CD1-CG 3.93Å; I546-M556 HydrophobicContact CG1-CB 4.39Å; I546-M556 HydrophobicContact CG1-CG 4.12Å
547	A	34.2	Very low	61.8	Low	48 Å²	48	48.3 Å²	48.3	40%	0.397	26%	0.26	S	S	.	.			trans	-90.1	8.4	173.3	0	0	0	0	0	112.4	H429 I545	H429-A547 HydrophobicContact CB-CB 3.87Å; H429-A547 WeakPolarHBondContact CD2-CB 3.35Å; I545-A547 VanDerWaalsContact C-N 3.25Å; I545-A547 PolarHBondContact O-N 2.6Å
548	D	37.3	Very low	61.9	Low	77 Å²	77	46.2 Å²	46.2	41%	0.412	24%	0.238	S	C	.	.			trans	-76.5	127.8	179.5	-160	-18.3	0	0	0	111.8	I546	I546-D548 VanDerWaalsContact C-N 3.28Å; I546-D548 HydrophobicContact CG2-CB 4.37Å
549	T	33.9	Very low	61.8	Low	95 Å²	95	46.4 Å²	46.4	58%	0.583	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	30.9	100.9	166.5	46	0	0	0	0	119.5	F551	T549-F551 PolarHBondContact O-N 3.15Å
550	H	36.3	Very low	62.2	Low	176 Å²	176	41.9 Å²	41.9	82%	0.815	22%	0.215	S	C	*	.	T	Hydrogen-bonded Turn	trans	71.3	-20.7	149.5	-64.5	90.8	0	0	0	120.3
551	F	44.8	Very low	62.6	Low	186 Å²	186	42.8 Å²	42.8	82%	0.816	22%	0.22	S	C	*	.	S	Bend	trans	-128.1	-14.3	-165.1	-71.5	-73	0	0	0	119.2	T549	T549-F551 PolarHBondContact O-N 3.15Å
552	N	57	Low	63.3	Low	74 Å²	74	43 Å²	43	40%	0.396	22%	0.221	S	C	.	.			trans	-133.8	140.5	171.6	-75.3	-43.3	0	0	0	110.6
553	D	73.1	Confident	64.7	Low	40 Å²	40	44.6 Å²	44.6	21%	0.214	23%	0.23	C	C	.	.			trans	-127.2	7.3	168.3	77.4	-54.7	0	0	0	112.3	R476 L477 S478	R476-D553 WeakPolarHBondContact CA-O 3.43Å; R476-D553 WeakPolarHBondContact CB-OD2 3.34Å; L477-D553 HydrophobicContact CB-CB 4.37Å; L477-D553 PolarHBondContact N-O 3.45Å; L477-D553 PolarHBondContact N-OD2 2.77Å; S478-D553 WeakPolarHBondContact CA-OD2 3.16Å; S478-D553 WeakPolarHBondContact CB-OD2 3.37Å; S478-D553 PolarHBondContact N-OD2 2.9Å; S478-D553 VanDerWaalsContact OG-CG 3.3Å; S478-D553 PolarHBondContact OG-OD2 3.22Å
554	H	77.2	Confident	66.2	Low	34 Å²	34	47.4 Å²	47.4	16%	0.157	24%	0.244	C	C	.	.	B	Isolated β-bridge	trans	-79.3	147.3	178.8	-65.2	-164.8	0	0	0	111.3	D411 H475 R476 M556	D411-H554 IonicContact OD1-CG 3.36Å; D411-H554 IonicContact OD1-ND1 3.5Å; D411-H554 PolarHBondContact OD1-ND1 3.28Å; D411-H554 IonicContact OD2-CE1 3.45Å; D411-H554 PolarHBondContact OD2-CE1 2.88Å; D411-H554 IonicContact OD2-CG 3.98Å; D411-H554 IonicContact OD2-ND1 2.71Å; D411-H554 PolarHBondContact OD2-ND1 3.19Å; H475-H554 CarbonylContact O-C 3.58Å; H475-H554 WeakPolarHBondContact O-CA 3.42Å; R476-H554 PolarHBondContact NE-CD2 2.81Å; R476-H554 PolarHBondContact NE-NE2 2.89Å; R476-H554 VanDerWaalsContact NE-NE2 3.15Å; R476-H554 PolarHBondContact NH2-CE1 2.91Å; R476-H554 PolarHBondContact NH2-NE2 3.23Å; H554-M556 PolarHBondContact O-N 3.31Å
555	L	80.1	Confident	67.9	Low	10 Å²	10	48.4 Å²	48.4	5%	0.052	25%	0.25	C	C	.	.	P	Polyproline II helix	trans	-68.2	116.6	164.4	-178.6	67.4	0	0	0	109.6	S412 L417 H475 P543 I545	S412-L555 WeakPolarHBondContact CB-O 3.48Å; S412-L555 PolarHBondContact N-O 3.36Å; S412-L555 PolarHBondContact OG-O 3.31Å; L417-L555 HydrophobicContact CB-CD2 4.11Å; H475-L555 PolarHBondContact O-N 3.31Å; P543-L555 HydrophobicContact CB-CD1 4.1Å; I545-L555 HydrophobicContact CD1-CD1 4.26Å; I545-L555 HydrophobicContact CG1-CD1 3.52Å
556	M	78	Confident	69.9	Low	20 Å²	20	51.2 Å²	51.2	10%	0.099	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.3	170.6	178.1	-60.8	-73.3	-71.2	0	0	110.6	I410 D411 P543 L544 I546 H554	I410-M556 CarbonylContact O-C 3.4Å; I410-M556 WeakPolarHBondContact O-CA 3.25Å; D411-M556 HydrophobicContact CB-SD 4.15Å; P543-M556 WeakPolarHBondContact CA-O 3.48Å; L544-M556 HydrophobicContact CB-CB 4.13Å; L544-M556 PolarHBondContact N-O 3.08Å; L544-M556 WeakPolarHBondContact O-CA 3.5Å; L544-M556 WeakPolarHBondContact O-CB 3.08Å; L544-M556 PolarHBondContact O-N 2.96Å; I546-M556 HydrophobicContact CD1-CB 4.29Å; I546-M556 HydrophobicContact CD1-CG 3.93Å; I546-M556 HydrophobicContact CG1-CB 4.39Å; I546-M556 HydrophobicContact CG1-CG 4.12Å; H554-M556 PolarHBondContact O-N 3.31Å
557	Q	76.8	Confident	72.4	Confident	0 Å²	0	52.1 Å²	52.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	136.9	171.6	52.1	163.2	102.9	0	0	110.4	F397 I410 L417 L541	F397-Q557 PolarHBondContact O-NE2 2.79Å; I410-Q557 HydrophobicContact CD1-CG 4.38Å; I410-Q557 HydrophobicContact CG1-CG 3.75Å; I410-Q557 PolarHBondContact N-O 3.26Å; I410-Q557 PolarHBondContact O-N 3.02Å; L417-Q557 HydrophobicContact CD1-CB 4.05Å; L541-Q557 HydrophobicContact CD2-CB 4.17Å
558	V	78.6	Confident	75.3	Confident	1 Å²	1	49.9 Å²	49.9	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.7	157.2	169.5	65.2	0	0	0	0	109.6	L541 P542 L544 V560 R593	L541-V558 WeakPolarHBondContact CD2-O 3.12Å; P542-V558 WeakPolarHBondContact CD-O 3.39Å; P542-V558 HydrophobicContact CG-CG1 3.6Å; P542-V558 PolarHBondContact O-N 2.71Å; L544-V558 HydrophobicContact CD1-CB 4.14Å; L544-V558 HydrophobicContact CD1-CG1 3.76Å; L544-V558 HydrophobicContact CD2-CG1 4.13Å; L544-V558 HydrophobicContact CG-CG1 4.03Å; V558-V560 HydrophobicContact CG1-CG1 4.23Å; V558-V560 HydrophobicContact CG2-CG1 4.28Å; V558-R593 HydrophobicContact CG2-CB 4.15Å; V558-R593 HydrophobicContact CG2-CG 3.84Å
559	Y	80.2	Confident	78	Confident	48 Å²	48	47.1 Å²	47.1	19%	0.188	24%	0.237	C	C	.	.			trans	-105.6	123.3	168.9	-79.4	-75.1	0	0	0	109.6	F397 V398 I539 L541 Y588	F397-Y559 VanDerWaalsContact O-CE2 3.29Å; F397-Y559 WeakPolarHBondContact O-CE2 3.24Å; F397-Y559 PolarHBondContact O-OH 2.03Å; V398-Y559 WeakPolarHBondContact CA-OH 3.35Å; V398-Y559 WeakPolarHBondContact CG1-OH 3.5Å; I539-Y559 HydrophobicContact CG2-CD1 3.68Å; I539-Y559 HydrophobicContact CG2-CG 4.34Å; L541-Y559 HydrophobicContact CD1-CE1 4.2Å; L541-Y559 HydrophobicContact CD2-CD1 3.49Å; L541-Y559 VanDerWaalsContact CD2-CD1 3.49Å; L541-Y559 HydrophobicContact CD2-CD2 3.99Å; L541-Y559 HydrophobicContact CD2-CE1 3.26Å; L541-Y559 HydrophobicContact CD2-CE2 3.77Å; L541-Y559 HydrophobicContact CD2-CG 3.85Å; L541-Y559 HydrophobicContact CG-CD1 4.02Å; L541-Y559 HydrophobicContact CG-CE1 3.53Å; Y559-Y588 PolarHBondContact O-OH 3.21Å
560	V	83.4	Confident	81	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	139.8	175.9	-63.2	0	0	0	0	110.8	C540 P542 V558 A586 Y588 L604	C540-V560 PolarHBondContact N-O 3.24Å; C540-V560 PolarHBondContact O-N 2.85Å; P542-V560 HydrophobicContact CG-CG2 3.95Å; V558-V560 HydrophobicContact CG1-CG1 4.23Å; V558-V560 HydrophobicContact CG2-CG1 4.28Å; V560-A586 HydrophobicContact CG2-CB 3.96Å; V560-Y588 HydrophobicContact CG1-CE2 4.29Å; V560-L604 HydrophobicContact CG2-CD1 3.88Å
561	P	88.7	Confident	83.7	Confident	19 Å²	19	45.5 Å²	45.5	12%	0.123	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	153.1	168.5	34.6	-34.1	0	0	0	110.4	E538 A586 G587 Y588	E538-P561 WeakPolarHBondContact O-CA 3.5Å; P561-A586 VanDerWaalsContact O-CA 3.26Å; P561-A586 WeakPolarHBondContact O-CA 3.41Å; P561-A586 WeakPolarHBondContact O-CB 3.47Å; P561-G587 WeakPolarHBondContact CD-O 3.5Å; P561-G587 WeakPolarHBondContact CG-O 3.3Å; P561-G587 PolarHBondContact O-N 2.95Å; P561-G587 VanDerWaalsContact O-N 3.09Å; P561-Y588 VanDerWaalsContact CD-CZ 3.42Å; P561-Y588 HydrophobicContact CG-CE1 4.13Å
562	F	90.7	Very high	86	Confident	5 Å²	5	39.9 Å²	39.9	2%	0.022	21%	0.205	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65	138.2	157.2	-72.1	-60.6	0	0	0	110.8	A534 G537 E538 C540 L584 A586 L604 C606 K615	A534-F562 HydrophobicContact CB-CD1 4.09Å; A534-F562 HydrophobicContact CB-CD2 3.67Å; A534-F562 HydrophobicContact CB-CE1 4.11Å; A534-F562 HydrophobicContact CB-CE2 3.68Å; A534-F562 HydrophobicContact CB-CG 3.89Å; A534-F562 HydrophobicContact CB-CZ 3.92Å; G537-F562 PolarHBondContact N-O 3.01Å; E538-F562 HydrophobicContact CB-CD2 4.08Å; E538-F562 HydrophobicContact CG-CD2 4.42Å; E538-F562 PolarHBondContact O-N 3.5Å; E538-F562 WeakPolarHBondContact OE2-CE2 3.04Å; C540-F562 WeakPolarHBondContact SG-CE2 3.31Å; F562-L584 HydrophobicContact CD1-CB 4.32Å; F562-L584 HydrophobicContact CE1-CB 3.96Å; F562-L584 HydrophobicContact CE1-CD1 3.67Å; F562-L584 HydrophobicContact CE1-CG 4.32Å; F562-L584 HydrophobicContact CZ-CD1 3.99Å; F562-A586 HydrophobicContact CD1-CB 3.98Å; F562-A586 HydrophobicContact CE1-CB 4.39Å; F562-L604 HydrophobicContact CD1-CD2 4.39Å; F562-L604 HydrophobicContact CE1-CD2 3.48Å; F562-L604 VanDerWaalsContact CE1-CD2 3.48Å; F562-L604 HydrophobicContact CZ-CD2 3.88Å; F562-C606 VanDerWaalsContact CE2-SG 3.56Å; F562-K615 HydrophobicContact CE2-CD 4Å; F562-K615 HydrophobicContact CZ-CB 3.94Å; F562-K615 HydrophobicContact CZ-CD 4.23Å
563	L	92.5	Very high	87.7	Confident	34 Å²	34	36.5 Å²	36.5	18%	0.178	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	163.5	170.2	-59	173.6	0	0	0	108.8	I565 C585 M589 P630	L563-I565 PolarHBondContact O-N 2.77Å; L563-C585 HydrophobicContact CB-CB 4.2Å; L563-C585 PolarHBondContact N-O 3.3Å; L563-M589 HydrophobicContact CD1-CG 4.09Å; L563-M589 HydrophobicContact CD1-SD 3.89Å; L563-P630 HydrophobicContact CD1-CB 3.81Å; L563-P630 HydrophobicContact CD1-CG 3.73Å
564	D	93.8	Very high	88.7	Confident	63 Å²	63	35.1 Å²	35.1	34%	0.337	18%	0.18	S	C	.	.	P	Polyproline II helix	trans	-64.1	127.4	166.2	-175.6	-6.9	0	0	0	108.8	V536 N566 E567	V536-D564 HydrophobicContact CG2-CB 4.28Å; D564-N566 VanDerWaalsContact CG-ND2 3.28Å; D564-N566 PolarHBondContact O-N 3.36Å; D564-N566 VanDerWaalsContact O-N 3.1Å; D564-N566 WeakPolarHBondContact OD1-CB 3.4Å; D564-N566 PolarHBondContact OD1-N 3.31Å; D564-N566 PolarHBondContact OD1-ND2 2.7Å; D564-N566 PolarHBondContact OD2-ND2 3.03Å; D564-E567 HydrophobicContact CB-CG 4.41Å; D564-E567 VanDerWaalsContact O-CB 3.31Å; D564-E567 WeakPolarHBondContact O-CB 3.46Å; D564-E567 PolarHBondContact O-N 3.07Å
565	I	94.2	Very high	89.5	Confident	27 Å²	27	34 Å²	34	14%	0.138	18%	0.177	C	C	.	.	H	α-helix	trans	-57.6	-21.9	175.1	-164.5	58.3	0	0	0	112.4	L563 E567 C568 A569 V578 K580 M583 C585	L563-I565 PolarHBondContact O-N 2.77Å; I565-E567 VanDerWaalsContact C-N 3.3Å; I565-E567 PolarHBondContact O-N 3.11Å; I565-C568 HydrophobicContact CD1-CB 4.36Å; I565-C568 PolarHBondContact O-N 2.86Å; I565-A569 WeakPolarHBondContact O-CB 3.16Å; I565-A569 PolarHBondContact O-N 3.11Å; I565-V578 HydrophobicContact CD1-CG1 3.42Å; I565-V578 VanDerWaalsContact CD1-CG1 3.42Å; I565-V578 HydrophobicContact CG1-CG1 3.72Å; I565-K580 HydrophobicContact CG1-CB 4.2Å; I565-K580 HydrophobicContact CG1-CG 4.17Å; I565-K580 HydrophobicContact CG2-CB 4.03Å; I565-K580 HydrophobicContact CG2-CD 4.44Å; I565-K580 HydrophobicContact CG2-CG 4.18Å; I565-M583 HydrophobicContact CD1-CB 4.27Å; I565-M583 WeakPolarHBondContact CD1-O 3.21Å; I565-C585 HydrophobicContact CD1-CB 3.79Å
566	N	94.9	Very high	90	Very high	74 Å²	74	42.4 Å²	42.4	40%	0.396	22%	0.216	S	C	.	.	H	α-helix	trans	-64.7	-27.6	170.1	-64.2	-57.3	0	0	0	113.8	D564 K570 K580	D564-N566 VanDerWaalsContact CG-ND2 3.28Å; D564-N566 PolarHBondContact O-N 3.36Å; D564-N566 VanDerWaalsContact O-N 3.1Å; D564-N566 WeakPolarHBondContact OD1-CB 3.4Å; D564-N566 PolarHBondContact OD1-N 3.31Å; D564-N566 PolarHBondContact OD1-ND2 2.7Å; D564-N566 PolarHBondContact OD2-ND2 3.03Å; N566-K570 WeakPolarHBondContact O-CG 3.24Å; N566-K580 WeakPolarHBondContact OD1-CE 3.19Å; N566-K580 PolarHBondContact OD1-NZ 3.36Å
567	E	94.5	Very high	90.7	Very high	64 Å²	64	47.4 Å²	47.4	30%	0.299	23%	0.234	S	C	.	.	H	α-helix	trans	-68.8	-52.7	173.8	-67.4	-64.1	123.1	0	0	110.3	D564 I565 A569 K570 S573 M589	D564-E567 HydrophobicContact CB-CG 4.41Å; D564-E567 VanDerWaalsContact O-CB 3.31Å; D564-E567 WeakPolarHBondContact O-CB 3.46Å; D564-E567 PolarHBondContact O-N 3.07Å; I565-E567 VanDerWaalsContact C-N 3.3Å; I565-E567 PolarHBondContact O-N 3.11Å; E567-A569 PolarHBondContact O-N 3.38Å; E567-K570 WeakPolarHBondContact O-CB 3.48Å; E567-K570 WeakPolarHBondContact O-CG 3.36Å; E567-K570 PolarHBondContact O-N 2.9Å; E567-K570 VanDerWaalsContact O-N 3.11Å; E567-K570 VanDerWaalsContact OE1-CE 3.25Å; E567-K570 WeakPolarHBondContact OE1-CE 3.43Å; E567-K570 IonicContact OE1-NZ 3.99Å; E567-K570 PolarHBondContact OE1-NZ 3.03Å; E567-K570 WeakPolarHBondContact OE2-CE 3.47Å; E567-K570 IonicContact OE2-NZ 3.25Å; E567-K570 PolarHBondContact OE2-NZ 2.86Å; E567-S573 WeakPolarHBondContact O-CB 3.45Å; E567-S573 PolarHBondContact O-OG 3.01Å; E567-M589 HydrophobicContact CB-CE 4Å; E567-M589 HydrophobicContact CB-SD 4.09Å
568	C	94.3	Very high	91.5	Very high	0 Å²	0	48 Å²	48	0%	0	24%	0.237	C	C	.	.	H	α-helix	trans	-55.2	-36.2	173.6	-85.9	0	0	0	0	112.9	I565 K570 S573 Y574 V578 C585 I632	I565-C568 HydrophobicContact CD1-CB 4.36Å; I565-C568 PolarHBondContact O-N 2.86Å; C568-K570 PolarHBondContact O-N 2.79Å; C568-S573 VanDerWaalsContact O-CB 3.24Å; C568-S573 WeakPolarHBondContact O-CB 3.41Å; C568-Y574 HydrophobicContact CB-CD2 4.21Å; C568-Y574 PolarHBondContact O-N 3.38Å; C568-V578 HydrophobicContact CB-CG1 4.42Å; C568-V578 HydrophobicContact CB-CG2 4.29Å; C568-C585 HydrophobicContact CB-CB 3.78Å; C568-C585 WeakPolarHBondContact CB-SG 3.31Å; C568-C585 WeakPolarHBondContact SG-CB 3.49Å; C568-C585 CovalentContact SG-SG 2.03Å; C568-C585 PolarHBondContact SG-SG 3.11Å; C568-I632 HydrophobicContact CB-CD1 3.77Å; C568-I632 WeakPolarHBondContact SG-CD1 2.98Å
569	A	95.7	Very high	92.3	Very high	19 Å²	19	51.8 Å²	51.8	16%	0.157	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.3	5.1	-179.1	0	0	0	0	0	115	I565 E567 G575 V578	I565-A569 WeakPolarHBondContact O-CB 3.16Å; I565-A569 PolarHBondContact O-N 3.11Å; E567-A569 PolarHBondContact O-N 3.38Å; A569-G575 WeakPolarHBondContact O-CA 3.28Å; A569-V578 HydrophobicContact CB-CB 3.96Å; A569-V578 HydrophobicContact CB-CG1 4.11Å; A569-V578 HydrophobicContact CB-CG2 4.42Å
570	K	96.2	Very high	92.9	Very high	84 Å²	84	54.5 Å²	54.5	37%	0.365	27%	0.265	S	S	.	.	S	Bend	trans	-74.3	151.1	172.4	-64.9	175.1	-179.7	171.7	0	111.4	N566 E567 C568 D572 S573 Y574 G575	N566-K570 WeakPolarHBondContact O-CG 3.24Å; E567-K570 WeakPolarHBondContact O-CB 3.48Å; E567-K570 WeakPolarHBondContact O-CG 3.36Å; E567-K570 PolarHBondContact O-N 2.9Å; E567-K570 VanDerWaalsContact O-N 3.11Å; E567-K570 VanDerWaalsContact OE1-CE 3.25Å; E567-K570 WeakPolarHBondContact OE1-CE 3.43Å; E567-K570 IonicContact OE1-NZ 3.99Å; E567-K570 PolarHBondContact OE1-NZ 3.03Å; E567-K570 WeakPolarHBondContact OE2-CE 3.47Å; E567-K570 IonicContact OE2-NZ 3.25Å; E567-K570 PolarHBondContact OE2-NZ 2.86Å; C568-K570 PolarHBondContact O-N 2.79Å; K570-D572 WeakPolarHBondContact CB-OD1 3.39Å; K570-D572 PolarHBondContact O-N 3.37Å; K570-S573 CarbonylContact O-C 3.55Å; K570-S573 WeakPolarHBondContact O-CA 3.46Å; K570-S573 PolarHBondContact O-N 2.97Å; K570-Y574 PolarHBondContact O-N 3.41Å; K570-G575 WeakPolarHBondContact O-CA 3.39Å; K570-G575 PolarHBondContact O-N 3.17Å
571	N	93.4	Very high	93.4	Very high	153 Å²	153	62.6 Å²	62.6	82%	0.818	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.3	-19.1	180	-69.7	-5.2	0	0	0	114.1
572	D	92	Very high	93.7	Very high	68 Å²	68	62.8 Å²	62.8	36%	0.364	30%	0.302	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	-0.7	172.1	66.5	-25.4	0	0	0	113.3	K570 R628	K570-D572 WeakPolarHBondContact CB-OD1 3.39Å; K570-D572 PolarHBondContact O-N 3.37Å; D572-R628 WeakPolarHBondContact OD2-CD 3.44Å; D572-R628 IonicContact OD2-CZ 2.89Å; D572-R628 VanDerWaalsContact OD2-CZ 3.26Å; D572-R628 IonicContact OD2-NE 3.5Å; D572-R628 PolarHBondContact OD2-NE 2.94Å; D572-R628 IonicContact OD2-NH1 2.74Å; D572-R628 PolarHBondContact OD2-NH1 3.29Å
573	S	93.1	Very high	93.9	Very high	4 Å²	4	62.7 Å²	62.7	3%	0.028	30%	0.302	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109	-110.5	167.1	-54	0	0	0	0	108.3	E567 C568 K570 R628 K629	E567-S573 WeakPolarHBondContact O-CB 3.45Å; E567-S573 PolarHBondContact O-OG 3.01Å; C568-S573 VanDerWaalsContact O-CB 3.24Å; C568-S573 WeakPolarHBondContact O-CB 3.41Å; K570-S573 CarbonylContact O-C 3.55Å; K570-S573 WeakPolarHBondContact O-CA 3.46Å; K570-S573 PolarHBondContact O-N 2.97Å; S573-R628 WeakPolarHBondContact CB-O 3.33Å; S573-R628 PolarHBondContact OG-O 3.28Å; S573-K629 PolarHBondContact O-NZ 3.06Å
574	Y	93.6	Very high	94	Very high	11 Å²	11	61.8 Å²	61.8	4%	0.043	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112.8	-6.1	-178.1	-55.2	-75.2	0	0	0	115.1	C568 K570 Q576 R577 V578 F620 G621 E622 K629 P630 I632	C568-Y574 HydrophobicContact CB-CD2 4.21Å; C568-Y574 PolarHBondContact O-N 3.38Å; K570-Y574 PolarHBondContact O-N 3.41Å; Y574-Q576 PolarHBondContact O-N 3.32Å; Y574-R577 WeakPolarHBondContact O-CB 3.39Å; Y574-R577 PolarHBondContact O-N 2.96Å; Y574-V578 HydrophobicContact CD2-CG2 4.44Å; Y574-V578 HydrophobicContact CG-CG2 4.46Å; Y574-F620 HydrophobicContact CD1-CE2 4.16Å; Y574-F620 HydrophobicContact CE1-CE2 4.44Å; Y574-F620 HydrophobicContact CG-CE2 4.43Å; Y574-G621 WeakPolarHBondContact OH-CA 3.23Å; Y574-E622 HydrophobicContact CD1-CG 4.29Å; Y574-E622 HydrophobicContact CE1-CB 3.94Å; Y574-E622 HydrophobicContact CE1-CG 3.89Å; Y574-E622 PolarHBondContact OH-N 3.14Å; Y574-K629 HydrophobicContact CE1-CD 4.03Å; Y574-K629 VanDerWaalsContact OH-C 3.31Å; Y574-K629 PolarHBondContact OH-O 3.2Å; Y574-P630 WeakPolarHBondContact CE2-O 3.28Å; Y574-P630 PolarHBondContact OH-O 3.35Å; Y574-I632 HydrophobicContact CD2-CD1 3.84Å; Y574-I632 HydrophobicContact CD2-CG1 3.9Å; Y574-I632 HydrophobicContact CE2-CD1 3.91Å; Y574-I632 HydrophobicContact CE2-CG1 3.75Å
575	G	93.6	Very high	94	Very high	10 Å²	10	58.8 Å²	58.8	10%	0.103	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	53.6	-125.8	175.1	0	0	0	0	0	114	A569 K570 R577 V578	A569-G575 WeakPolarHBondContact O-CA 3.28Å; K570-G575 WeakPolarHBondContact O-CA 3.39Å; K570-G575 PolarHBondContact O-N 3.17Å; G575-R577 PolarHBondContact O-N 2.92Å; G575-R577 VanDerWaalsContact O-N 3.14Å; G575-V578 PolarHBondContact O-N 3.25Å
576	Q	91.8	Very high	93.9	Very high	187 Å²	187	57.5 Å²	57.5	87%	0.874	28%	0.275	S	S	*	.	G	3₁₀ helix	trans	-67.9	-7.2	-176.1	-66.3	-177.8	-8.4	0	0	114.9	Y574 V578	Y574-Q576 PolarHBondContact O-N 3.32Å; Q576-V578 PolarHBondContact O-N 3.15Å
577	R	92	Very high	93.5	Very high	124 Å²	124	54 Å²	54	47%	0.468	26%	0.256	S	S	.	.	G	3₁₀ helix	trans	-76.6	-5.1	176.3	-61.1	-178.7	67.3	161.1	3.8	113.8	Y574 G575 F620 E622	Y574-R577 WeakPolarHBondContact O-CB 3.39Å; Y574-R577 PolarHBondContact O-N 2.96Å; G575-R577 PolarHBondContact O-N 2.92Å; G575-R577 VanDerWaalsContact O-N 3.14Å; R577-F620 HydrophobicContact CB-CZ 4.41Å; R577-E622 IonicContact NH1-OE1 3.25Å
578	V	94.6	Very high	93.1	Very high	13 Å²	13	53.8 Å²	53.8	8%	0.079	25%	0.253	C	S	.	.			trans	-104	105.4	-171.7	-174.9	0	0	0	0	112	I565 C568 A569 Y574 G575 Q576 K580 I632	I565-V578 HydrophobicContact CD1-CG1 3.42Å; I565-V578 VanDerWaalsContact CD1-CG1 3.42Å; I565-V578 HydrophobicContact CG1-CG1 3.72Å; C568-V578 HydrophobicContact CB-CG1 4.42Å; C568-V578 HydrophobicContact CB-CG2 4.29Å; A569-V578 HydrophobicContact CB-CB 3.96Å; A569-V578 HydrophobicContact CB-CG1 4.11Å; A569-V578 HydrophobicContact CB-CG2 4.42Å; Y574-V578 HydrophobicContact CD2-CG2 4.44Å; Y574-V578 HydrophobicContact CG-CG2 4.46Å; G575-V578 PolarHBondContact O-N 3.25Å; Q576-V578 PolarHBondContact O-N 3.15Å; V578-K580 HydrophobicContact CG1-CG 4.48Å; V578-K580 PolarHBondContact O-N 2.65Å; V578-I632 HydrophobicContact CG2-CD1 4.33Å
579	Y	94.6	Very high	92.8	Very high	80 Å²	80	55.7 Å²	55.7	31%	0.314	26%	0.262	S	S	.	.			trans	-86.5	90.3	176.5	-60.9	-76.9	0	0	0	110.4	N502 H504 E581 I582 M583	N502-Y579 WeakPolarHBondContact OD1-CE2 3.47Å; N502-Y579 VanDerWaalsContact OD1-CZ 3.28Å; N502-Y579 PolarHBondContact OD1-OH 3.26Å; N502-Y579 VanDerWaalsContact OD1-OH 3.06Å; H504-Y579 HydrophobicContact CB-CD2 4.18Å; H504-Y579 HydrophobicContact CB-CE2 4.23Å; H504-Y579 AromaticContact CD2-CD1 3.61Å; H504-Y579 AromaticContact CD2-CE1 3.96Å; H504-Y579 AromaticContact CD2-CG 3.72Å; Y579-E581 PolarHBondContact O-N 3.19Å; Y579-I582 HydrophobicContact CG-CD1 4.35Å; Y579-I582 WeakPolarHBondContact O-CG1 3.38Å; Y579-I582 PolarHBondContact O-N 2.93Å; Y579-I582 VanDerWaalsContact O-N 3.08Å; Y579-M583 HydrophobicContact CD2-CE 3.78Å; Y579-M583 HydrophobicContact CD2-SD 4.06Å; Y579-M583 PolarHBondContact N-SD 3.18Å; Y579-M583 VanDerWaalsContact N-SD 3.37Å; Y579-M583 WeakPolarHBondContact O-CB 3.38Å; Y579-M583 PolarHBondContact O-N 2.9Å
580	K	93.7	Very high	92.3	Very high	105 Å²	105	60.6 Å²	60.6	46%	0.457	29%	0.286	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-21.1	-164.5	-60.8	-175.5	179.8	-177.9	0	116.9	I565 N566 V578	I565-K580 HydrophobicContact CG1-CB 4.2Å; I565-K580 HydrophobicContact CG1-CG 4.17Å; I565-K580 HydrophobicContact CG2-CB 4.03Å; I565-K580 HydrophobicContact CG2-CD 4.44Å; I565-K580 HydrophobicContact CG2-CG 4.18Å; N566-K580 WeakPolarHBondContact OD1-CE 3.19Å; N566-K580 PolarHBondContact OD1-NZ 3.36Å; V578-K580 HydrophobicContact CG1-CG 4.48Å; V578-K580 PolarHBondContact O-N 2.65Å
581	E	92.9	Very high	91.7	Very high	170 Å²	170	57.2 Å²	57.2	79%	0.794	28%	0.275	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.7	-26.6	-177.9	-61.1	-179.9	174.8	0	0	112.2	Y579 N635	Y579-E581 PolarHBondContact O-N 3.19Å; E581-N635 PolarHBondContact O-ND2 2.92Å
582	I	95	Very high	90.7	Very high	23 Å²	23	52 Å²	52	12%	0.118	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-124.4	-0.2	-167.6	67.3	-166.9	0	0	0	113.3	H504 Y579 N635 A638 F639	H504-I582 HydrophobicContact CB-CD1 4.38Å; H504-I582 VanDerWaalsContact CD2-CD1 3.45Å; H504-I582 WeakPolarHBondContact CD2-CD1 3.4Å; H504-I582 WeakPolarHBondContact CE1-CD1 3.5Å; H504-I582 VanDerWaalsContact CG-CD1 3.45Å; H504-I582 VanDerWaalsContact ND1-CD1 3.35Å; H504-I582 WeakPolarHBondContact ND1-CD1 3.48Å; H504-I582 VanDerWaalsContact NE2-CD1 3.33Å; H504-I582 WeakPolarHBondContact NE2-CD1 3.21Å; H504-I582 WeakPolarHBondContact O-CD1 3.46Å; H504-I582 WeakPolarHBondContact O-CG1 3.47Å; Y579-I582 HydrophobicContact CG-CD1 4.35Å; Y579-I582 WeakPolarHBondContact O-CG1 3.38Å; Y579-I582 PolarHBondContact O-N 2.93Å; Y579-I582 VanDerWaalsContact O-N 3.08Å; I582-N635 VanDerWaalsContact C-CB 3.47Å; I582-N635 VanDerWaalsContact O-CB 3.24Å; I582-N635 WeakPolarHBondContact O-CB 3.25Å; I582-N635 PolarHBondContact O-N 3.4Å; I582-A638 HydrophobicContact CB-CB 4.39Å; I582-A638 HydrophobicContact CG2-CB 4.09Å; I582-F639 HydrophobicContact CB-CE2 3.85Å; I582-F639 HydrophobicContact CB-CZ 4.03Å; I582-F639 HydrophobicContact CD1-CZ 4.45Å; I582-F639 HydrophobicContact CG2-CE2 4.47Å; I582-F639 HydrophobicContact CG2-CZ 4.37Å
583	M	96	Very high	89.6	Confident	3 Å²	3	51.4 Å²	51.4	2%	0.015	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	148.4	176.2	-67.8	178.7	167.9	0	0	111.3	P503 I565 Y579 F620 I632 Y633	P503-M583 HydrophobicContact CB-CE 4.32Å; P503-M583 HydrophobicContact CG-CE 4.28Å; P503-M583 WeakPolarHBondContact O-CE 3.31Å; I565-M583 HydrophobicContact CD1-CB 4.27Å; I565-M583 WeakPolarHBondContact CD1-O 3.21Å; Y579-M583 HydrophobicContact CD2-CE 3.78Å; Y579-M583 HydrophobicContact CD2-SD 4.06Å; Y579-M583 PolarHBondContact N-SD 3.18Å; Y579-M583 VanDerWaalsContact N-SD 3.37Å; Y579-M583 WeakPolarHBondContact O-CB 3.38Å; Y579-M583 PolarHBondContact O-N 2.9Å; M583-F620 HydrophobicContact CE-CE1 3.86Å; M583-F620 HydrophobicContact SD-CE1 4.27Å; M583-I632 HydrophobicContact CB-CG2 4.17Å; M583-I632 HydrophobicContact CG-CG2 4.15Å; M583-I632 HydrophobicContact SD-CG2 3.86Å; M583-Y633 CarbonylContact C-O 3.54Å; M583-Y633 WeakPolarHBondContact CA-O 3.41Å
584	L	94.9	Very high	88.4	Confident	15 Å²	15	51.7 Å²	51.7	8%	0.079	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146	174.3	-54.9	176.5	0	0	0	109.6	A534 F562 K615 Y633 N635	A534-L584 HydrophobicContact CB-CD2 3.91Å; F562-L584 HydrophobicContact CD1-CB 4.32Å; F562-L584 HydrophobicContact CE1-CB 3.96Å; F562-L584 HydrophobicContact CE1-CD1 3.67Å; F562-L584 HydrophobicContact CE1-CG 4.32Å; F562-L584 HydrophobicContact CZ-CD1 3.99Å; L584-K615 HydrophobicContact CD1-CB 4.38Å; L584-K615 WeakPolarHBondContact CD1-O 3.18Å; L584-Y633 PolarHBondContact N-O 3.24Å; L584-Y633 PolarHBondContact O-N 2.88Å; L584-N635 HydrophobicContact CD1-CB 4.31Å; L584-N635 HydrophobicContact CD2-CB 4.07Å; L584-N635 HydrophobicContact CG-CB 3.86Å
585	C	93.4	Very high	86.9	Confident	1 Å²	1	51.7 Å²	51.7	1%	0.007	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.5	177.5	-172.9	0	0	0	0	107.1	L563 I565 C568	L563-C585 HydrophobicContact CB-CB 4.2Å; L563-C585 PolarHBondContact N-O 3.3Å; I565-C585 HydrophobicContact CD1-CB 3.79Å; C568-C585 HydrophobicContact CB-CB 3.78Å; C568-C585 WeakPolarHBondContact CB-SG 3.31Å; C568-C585 WeakPolarHBondContact SG-CB 3.49Å; C568-C585 CovalentContact SG-SG 2.03Å; C568-C585 PolarHBondContact SG-SG 3.11Å
586	A	90.7	Very high	85.8	Confident	0 Å²	0	53.5 Å²	53.5	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146	140.8	177.9	0	0	0	0	0	111.8	V560 P561 F562 L604 G631 Y633	V560-A586 HydrophobicContact CG2-CB 3.96Å; P561-A586 VanDerWaalsContact O-CA 3.26Å; P561-A586 WeakPolarHBondContact O-CA 3.41Å; P561-A586 WeakPolarHBondContact O-CB 3.47Å; F562-A586 HydrophobicContact CD1-CB 3.98Å; F562-A586 HydrophobicContact CE1-CB 4.39Å; A586-L604 HydrophobicContact CB-CD2 3.98Å; A586-G631 PolarHBondContact N-O 3.24Å; A586-G631 PolarHBondContact O-N 2.71Å; A586-Y633 HydrophobicContact CB-CD2 4.09Å; A586-Y633 HydrophobicContact CB-CE2 3.69Å
587	G	87.1	Confident	84.3	Confident	0 Å²	0	50.8 Å²	50.8	0%	0	25%	0.251	C	S	.	.	S	Bend	trans	138.2	-149.3	-172.5	0	0	0	0	0	111.4	P561	P561-G587 WeakPolarHBondContact CD-O 3.5Å; P561-G587 WeakPolarHBondContact CG-O 3.3Å; P561-G587 PolarHBondContact O-N 2.95Å; P561-G587 VanDerWaalsContact O-N 3.09Å
588	Y	85.9	Confident	83	Confident	59 Å²	59	45.2 Å²	45.2	23%	0.231	23%	0.232	C	C	.	.			trans	-133.8	129.2	-177.7	-63.4	-93.3	0	0	0	110.2	Y559 V560 P561 D590 G591 R593	Y559-Y588 PolarHBondContact O-OH 3.21Å; V560-Y588 HydrophobicContact CG1-CE2 4.29Å; P561-Y588 VanDerWaalsContact CD-CZ 3.42Å; P561-Y588 HydrophobicContact CG-CE1 4.13Å; Y588-D590 PolarHBondContact O-N 2.89Å; Y588-G591 WeakPolarHBondContact O-CA 3.39Å; Y588-G591 PolarHBondContact O-N 3.02Å; Y588-R593 HydrophobicContact CD2-CB 3.51Å; Y588-R593 HydrophobicContact CE2-CB 3.66Å; Y588-R593 HydrophobicContact CE2-CG 4.33Å; Y588-R593 VanDerWaalsContact CZ-NH2 3.31Å; Y588-R593 PolarHBondContact OH-NH2 3.45Å
589	M	87.9	Confident	82.2	Confident	40 Å²	40	44.7 Å²	44.7	20%	0.197	23%	0.229	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.9	-20.8	-177.8	-66.9	-59.6	-73.9	0	0	113.6	L563 E567 G591 R628 P630	L563-M589 HydrophobicContact CD1-CG 4.09Å; L563-M589 HydrophobicContact CD1-SD 3.89Å; E567-M589 HydrophobicContact CB-CE 4Å; E567-M589 HydrophobicContact CB-SD 4.09Å; M589-G591 VanDerWaalsContact C-N 3.3Å; M589-R628 HydrophobicContact CE-CB 4.14Å; M589-R628 HydrophobicContact CE-CG 4.19Å; M589-R628 PolarHBondContact O-N 3.4Å; M589-P630 HydrophobicContact SD-CG 3.92Å
590	D	86.6	Confident	81.9	Confident	123 Å²	123	41.7 Å²	41.7	66%	0.658	22%	0.22	S	C	*	.	T	Hydrogen-bonded Turn	trans	-82.4	-4.9	170.3	-73.3	-59.4	0	0	0	113.8	Y588 K627	Y588-D590 PolarHBondContact O-N 2.89Å; D590-K627 VanDerWaalsContact OD1-CE 3.23Å; D590-K627 WeakPolarHBondContact OD1-CE 3.31Å; D590-K627 IonicContact OD1-NZ 2.74Å; D590-K627 PolarHBondContact OD1-NZ 3.44Å
591	G	82.2	Confident	81.9	Confident	12 Å²	12	36.7 Å²	36.7	12%	0.124	20%	0.198	C	C	.	.			trans	83.4	-159.9	-176.6	0	0	0	0	0	114	Y588 M589 R593 G625	Y588-G591 WeakPolarHBondContact O-CA 3.39Å; Y588-G591 PolarHBondContact O-N 3.02Å; M589-G591 VanDerWaalsContact C-N 3.3Å; G591-R593 VanDerWaalsContact C-N 3.33Å; G591-R593 PolarHBondContact O-N 2.86Å; G591-G625 CarbonylContact C-O 3.49Å; G591-G625 WeakPolarHBondContact CA-O 3.45Å
592	G	72.5	Confident	81.8	Confident	44 Å²	44	28.7 Å²	28.7	45%	0.454	16%	0.162	S	C	.	.	S	Bend	trans	79.6	-2.5	169.4	0	0	0	0	0	117.3	I407 G625	I407-G592 CarbonylContact C-O 3.47Å; I407-G592 WeakPolarHBondContact CA-O 3.11Å; I407-G592 WeakPolarHBondContact CG2-O 3.42Å; G592-G625 PolarHBondContact N-O 3.45Å
593	R	70.6	Confident	81.8	Confident	56 Å²	56	27.7 Å²	27.7	21%	0.211	16%	0.157	C	C	.	.			trans	-152.5	122.6	171.1	-95.3	-172.8	-63.6	-133.6	-0.7	110.3	P401 I407 G408 V558 Y588 G591	P401-R593 PolarHBondContact O-NH1 3.43Å; I407-R593 WeakPolarHBondContact O-CA 3.38Å; G408-R593 VanDerWaalsContact CA-CG 3.49Å; V558-R593 HydrophobicContact CG2-CB 4.15Å; V558-R593 HydrophobicContact CG2-CG 3.84Å; Y588-R593 HydrophobicContact CD2-CB 3.51Å; Y588-R593 HydrophobicContact CE2-CB 3.66Å; Y588-R593 HydrophobicContact CE2-CG 4.33Å; Y588-R593 VanDerWaalsContact CZ-NH2 3.31Å; Y588-R593 PolarHBondContact OH-NH2 3.45Å; G591-R593 VanDerWaalsContact C-N 3.33Å; G591-R593 PolarHBondContact O-N 2.86Å
594	D	65.9	Low	81.6	Confident	10 Å²	10	27.6 Å²	27.6	5%	0.053	16%	0.156	C	C	.	.			trans	-164.3	175.6	-177	-148.7	-7	0	0	0	112.1	G625 G631	D594-G625 PolarHBondContact OD2-N 2.93Å; D594-G631 WeakPolarHBondContact OD1-CA 3.48Å; D594-G631 PolarHBondContact OD1-N 3.46Å; D594-G631 PolarHBondContact OD2-N 2.92Å
595	A	64.1	Low	81.4	Confident	11 Å²	11	26.9 Å²	26.9	9%	0.091	15%	0.152	C	C	.	.			trans	-80.8	161.8	157.7	0	0	0	0	0	110.5	L544 D599 V618	L544-A595 HydrophobicContact CD2-CB 3.85Å; A595-D599 HydrophobicContact CB-CB 4.07Å; A595-V618 HydrophobicContact CB-CG1 4.06Å; A595-V618 HydrophobicContact CB-CG2 4.23Å
596	C	69.2	Low	81.3	Confident	48 Å²	48	26.8 Å²	26.8	32%	0.324	15%	0.152	S	C	.	.			trans	-146.1	-166.7	-176.7	-160.1	0	0	0	0	112.9	G598 D599 C624	C596-G598 PolarHBondContact O-N 3.48Å; C596-D599 PolarHBondContact N-OD2 3Å; C596-D599 VanDerWaalsContact O-CB 3.28Å; C596-D599 WeakPolarHBondContact O-CB 3.49Å; C596-D599 PolarHBondContact O-N 2.81Å; C596-C624 WeakPolarHBondContact CA-SG 3.24Å; C596-C624 HydrophobicContact CB-CB 3.67Å; C596-C624 WeakPolarHBondContact CB-SG 3.42Å; C596-C624 WeakPolarHBondContact SG-CB 3.32Å; C596-C624 CovalentContact SG-SG 2.04Å; C596-C624 PolarHBondContact SG-SG 2.92Å
597	Q	59.8	Low	81.2	Confident	129 Å²	129	32.3 Å²	32.3	60%	0.603	18%	0.176	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.1	127.3	-175	-165.2	62.8	35.6	0	0	112
598	G	65	Low	81.1	Confident	7 Å²	7	34.6 Å²	34.6	7%	0.072	19%	0.188	C	C	.	.	T	Hydrogen-bonded Turn	trans	100.7	-31.7	-171.4	0	0	0	0	0	113.2	H429 G432 C596 S600	H429-G598 PolarHBondContact NE2-O 3.3Å; H429-G598 VanDerWaalsContact NE2-O 3.11Å; G432-G598 PolarHBondContact N-O 2.99Å; C596-G598 PolarHBondContact O-N 3.48Å; G598-S600 PolarHBondContact O-N 2.8Å
599	D	78.1	Confident	81	Confident	2 Å²	2	34.4 Å²	34.4	1%	0.011	20%	0.204	C	C	.	.			trans	-71.8	-18.2	-178.8	-56	-38.4	0	0	0	113.1	L544 I545 A595 C596 G601 G602 V618	L544-D599 WeakPolarHBondContact CA-OD1 3.09Å; L544-D599 VanDerWaalsContact CB-OD1 3.23Å; L544-D599 WeakPolarHBondContact CB-OD1 3.49Å; L544-D599 HydrophobicContact CD2-CB 4.07Å; L544-D599 WeakPolarHBondContact CD2-OD2 3.48Å; I545-D599 PolarHBondContact N-OD1 2.04Å; A595-D599 HydrophobicContact CB-CB 4.07Å; C596-D599 PolarHBondContact N-OD2 3Å; C596-D599 VanDerWaalsContact O-CB 3.28Å; C596-D599 WeakPolarHBondContact O-CB 3.49Å; C596-D599 PolarHBondContact O-N 2.81Å; D599-G601 PolarHBondContact O-N 2.74Å; D599-G602 WeakPolarHBondContact O-CA 3.26Å; D599-G602 PolarHBondContact O-N 2.67Å; D599-V618 HydrophobicContact CB-CG1 4.35Å; D599-V618 VanDerWaalsContact O-CB 3.3Å; D599-V618 WeakPolarHBondContact O-CB 3.43Å; D599-V618 WeakPolarHBondContact O-CG2 3.44Å
600	S	89.1	Confident	80.8	Confident	18 Å²	18	39.2 Å²	39.2	13%	0.126	23%	0.23	C	C	.	.	T	Hydrogen-bonded Turn	trans	-29.1	126.4	164.8	-81.4	0	0	0	0	113.5	C431 G432 H453 G598 G602	C431-S600 CarbonylContact C-O 3.56Å; C431-S600 WeakPolarHBondContact CA-O 3.07Å; C431-S600 WeakPolarHBondContact CB-O 3.43Å; C431-S600 VanDerWaalsContact SG-CB 3.56Å; G432-S600 PolarHBondContact N-O 2.97Å; H453-S600 WeakPolarHBondContact NE2-CB 3.44Å; H453-S600 PolarHBondContact NE2-OG 3.43Å; G598-S600 PolarHBondContact O-N 2.8Å; S600-G602 PolarHBondContact O-N 3.39Å; S600-G602 VanDerWaalsContact O-N 3.1Å
601	G	93	Very high	81	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.2	-10.3	-178.8	0	0	0	0	0	115.7	G432 G433 T450 D599 V618	G432-G601 VanDerWaalsContact C-C 3.5Å; G432-G601 CarbonylContact C-O 3.6Å; G432-G601 CarbonylContact O-C 3.11Å; G432-G601 VanDerWaalsContact O-C 3.28Å; G433-G601 WeakPolarHBondContact CA-O 3.49Å; T450-G601 WeakPolarHBondContact CA-O 3.43Å; T450-G601 WeakPolarHBondContact OG1-CA 3.15Å; D599-G601 PolarHBondContact O-N 2.74Å; G601-V618 PolarHBondContact N-O 2.9Å
602	G	91.7	Very high	81.4	Confident	2 Å²	2	37.4 Å²	37.4	2%	0.021	21%	0.211	C	C	.	.			trans	-64.3	161.1	168.7	0	0	0	0	0	112.4	D599 S600 V617 V618	D599-G602 WeakPolarHBondContact O-CA 3.26Å; D599-G602 PolarHBondContact O-N 2.67Å; S600-G602 PolarHBondContact O-N 3.39Å; S600-G602 VanDerWaalsContact O-N 3.1Å; G602-V617 CarbonylContact O-C 3.12Å; G602-V617 WeakPolarHBondContact O-CA 3.41Å; G602-V618 WeakPolarHBondContact O-CG2 3.46Å; G602-V618 PolarHBondContact O-N 3.43Å
603	P	93.8	Very high	82.4	Confident	2 Å²	2	35.3 Å²	35.3	1%	0.013	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	158.2	-176.8	37.2	-40.3	0	0	0	113	T434 P542 P543 V605 Q614	T434-P603 HydrophobicContact CG2-CB 3.56Å; T434-P603 HydrophobicContact CG2-CG 3.62Å; P542-P603 VanDerWaalsContact CA-O 3.29Å; P542-P603 WeakPolarHBondContact CA-O 3.4Å; P543-P603 HydrophobicContact CG-CG 3.47Å; P543-P603 VanDerWaalsContact CG-CG 3.47Å; P603-V605 HydrophobicContact CB-CG1 3.81Å; P603-V605 HydrophobicContact CG-CG1 4.07Å; P603-Q614 HydrophobicContact CB-CG 3.75Å
604	L	91.8	Very high	83.5	Confident	0 Å²	0	32.6 Å²	32.6	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	103.5	157.8	179.1	63	0	0	0	107.9	C540 P542 V560 F562 A586 K615 G616 Y633	C540-L604 HydrophobicContact CB-CD1 3.65Å; C540-L604 HydrophobicContact CB-CG 4.03Å; P542-L604 HydrophobicContact CB-CD1 3.97Å; P542-L604 VanDerWaalsContact CD-CD1 3.5Å; P542-L604 HydrophobicContact CG-CD1 3.73Å; V560-L604 HydrophobicContact CG2-CD1 3.88Å; F562-L604 HydrophobicContact CD1-CD2 4.39Å; F562-L604 HydrophobicContact CE1-CD2 3.48Å; F562-L604 VanDerWaalsContact CE1-CD2 3.48Å; F562-L604 HydrophobicContact CZ-CD2 3.88Å; A586-L604 HydrophobicContact CB-CD2 3.98Å; L604-K615 PolarHBondContact O-N 2.84Å; L604-G616 PolarHBondContact N-O 3.4Å; L604-G616 PolarHBondContact O-N 3.33Å; L604-Y633 HydrophobicContact CB-CD1 3.75Å; L604-Y633 HydrophobicContact CB-CE1 3.98Å; L604-Y633 HydrophobicContact CD1-CE1 4.21Å; L604-Y633 HydrophobicContact CD2-CD1 3.8Å; L604-Y633 HydrophobicContact CD2-CD2 4.14Å; L604-Y633 HydrophobicContact CD2-CE1 3.99Å; L604-Y633 HydrophobicContact CD2-CE2 4.38Å; L604-Y633 HydrophobicContact CD2-CG 3.88Å; L604-Y633 HydrophobicContact CG-CD1 4.29Å; L604-Y633 HydrophobicContact CG-CE1 4.3Å
605	V	92	Very high	84.9	Confident	0 Å²	0	32.9 Å²	32.9	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	129.1	-175.9	-52.8	0	0	0	0	112.5	W419 I525 C540 L541 P603 W612 V613 Q614	W419-V605 HydrophobicContact CZ2-CG2 4.35Å; I525-V605 HydrophobicContact CD1-CB 4.22Å; I525-V605 HydrophobicContact CD1-CG1 3.72Å; I525-V605 HydrophobicContact CG1-CG1 3.87Å; C540-V605 WeakPolarHBondContact CA-O 3.38Å; C540-V605 WeakPolarHBondContact CB-O 3.41Å; L541-V605 HydrophobicContact CB-CG2 4.01Å; L541-V605 PolarHBondContact N-O 2.59Å; L541-V605 VanDerWaalsContact O-CG2 3.29Å; L541-V605 WeakPolarHBondContact O-CG2 3.18Å; L541-V605 PolarHBondContact O-N 2.6Å; P603-V605 HydrophobicContact CB-CG1 3.81Å; P603-V605 HydrophobicContact CG-CG1 4.07Å; V605-W612 HydrophobicContact CB-CE3 4.33Å; V605-W612 HydrophobicContact CG2-CD2 4.44Å; V605-W612 HydrophobicContact CG2-CE3 3.75Å; V605-W612 HydrophobicContact CG2-CZ3 4.31Å; V605-V613 CarbonylContact C-O 3.54Å; V605-V613 WeakPolarHBondContact CA-O 3.5Å; V605-Q614 HydrophobicContact CG1-CB 4.25Å
606	C	90.4	Very high	86.4	Confident	0 Å²	0	32.3 Å²	32.3	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	161.8	179.1	-48	0	0	0	0	109.3	E538 C540 F562 W612 V613 K615	E538-C606 WeakPolarHBondContact OE1-CB 3.45Å; C540-C606 HydrophobicContact CB-CB 4.05Å; C540-C606 WeakPolarHBondContact CB-SG 3.05Å; C540-C606 WeakPolarHBondContact SG-CB 3.06Å; C540-C606 CovalentContact SG-SG 2.04Å; C540-C606 PolarHBondContact SG-SG 2.7Å; F562-C606 VanDerWaalsContact CE2-SG 3.56Å; C606-W612 CarbonylContact O-C 3.52Å; C606-W612 WeakPolarHBondContact O-CA 3.23Å; C606-V613 PolarHBondContact N-O 2.73Å; C606-V613 PolarHBondContact O-N 3.45Å; C606-K615 HydrophobicContact CB-CD 4.15Å; C606-K615 HydrophobicContact CB-CG 4.28Å
607	K	87.5	Confident	87.6	Confident	116 Å²	116	30 Å²	30	50%	0.504	16%	0.16	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	101.5	-172.6	-168.1	-175.7	177.9	-160.9	0	112.4	G609 Y611 W612	K607-G609 WeakPolarHBondContact CE-O 3.02Å; K607-G609 PolarHBondContact O-N 3.03Å; K607-Y611 CarbonylContact C-O 3.47Å; K607-Y611 WeakPolarHBondContact CA-O 3.37Å; K607-W612 HydrophobicContact CB-CE3 4.18Å; K607-W612 HydrophobicContact CB-CH2 4.46Å; K607-W612 HydrophobicContact CB-CZ3 4.12Å
608	D	85.6	Confident	89.2	Confident	48 Å²	48	24.5 Å²	24.5	26%	0.257	14%	0.135	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	93.3	172.8	-169.5	-6.5	0	0	0	109.5	K384 N610 Y611 V613	K384-D608 IonicContact NZ-OD1 2.76Å; K384-D608 IonicContact NZ-OD2 2.91Å; K384-D608 PolarHBondContact NZ-OD2 2.62Å; D608-N610 PolarHBondContact O-N 2.82Å; D608-Y611 PolarHBondContact N-O 3.36Å; D608-Y611 PolarHBondContact O-N 3.48Å; D608-V613 HydrophobicContact CB-CG2 3.65Å
609	G	84.6	Confident	90.6	Very high	54 Å²	54	24.5 Å²	24.5	56%	0.557	13%	0.134	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.7	-103.1	-179.3	0	0	0	0	0	113.1	K607	K607-G609 WeakPolarHBondContact CE-O 3.02Å; K607-G609 PolarHBondContact O-N 3.03Å
610	N	84.3	Confident	91.2	Very high	141 Å²	141	26.1 Å²	26.1	75%	0.754	14%	0.141	S	C	*	.	T	Hydrogen-bonded Turn	trans	-100.4	-3.8	177.3	-76.9	-37.2	0	0	0	113.6	D608	D608-N610 PolarHBondContact O-N 2.82Å
611	Y	89.2	Confident	91	Very high	73 Å²	73	26.9 Å²	26.9	29%	0.286	15%	0.152	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.9	150.3	-172.2	-60	-81.1	0	0	0	111.6	Y386 C389 T391 K607 D608	Y386-Y611 AromaticContact CD2-CD2 3.76Å; Y386-Y611 HydrophobicContact CD2-CD2 3.76Å; Y386-Y611 HydrophobicContact CD2-CE2 4.23Å; Y386-Y611 HydrophobicContact CD2-CG 4.08Å; Y386-Y611 HydrophobicContact CG-CD2 4.32Å; Y386-Y611 HydrophobicContact CG-CG 4.32Å; Y386-Y611 WeakPolarHBondContact O-CE1 3.36Å; Y386-Y611 PolarHBondContact O-OH 3.06Å; C389-Y611 WeakPolarHBondContact O-CD1 3.16Å; T391-Y611 HydrophobicContact CG2-CD1 3.77Å; T391-Y611 HydrophobicContact CG2-CE1 3.7Å; K607-Y611 CarbonylContact C-O 3.47Å; K607-Y611 WeakPolarHBondContact CA-O 3.37Å; D608-Y611 PolarHBondContact N-O 3.36Å; D608-Y611 PolarHBondContact O-N 3.48Å
612	W	91.2	Very high	90.5	Very high	24 Å²	24	30.3 Å²	30.3	9%	0.091	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	131.9	168	-64.3	93	0	0	0	110.1	G390 P396 V398 W419 I525 C526 L541 V605 C606 K607	G390-W612 VanDerWaalsContact CA-O 3.3Å; G390-W612 WeakPolarHBondContact CA-O 3.33Å; G390-W612 PolarHBondContact O-N 3.45Å; P396-W612 HydrophobicContact CB-CZ2 4.38Å; P396-W612 HydrophobicContact CG-CZ2 4.03Å; V398-W612 HydrophobicContact CG1-CH2 4.49Å; W419-W612 HydrophobicContact CH2-CB 3.78Å; W419-W612 AromaticContact CH2-CD1 3.43Å; W419-W612 VanDerWaalsContact CH2-CD1 3.43Å; W419-W612 HydrophobicContact CH2-CD2 4.44Å; W419-W612 AromaticContact CH2-CG 3.61Å; W419-W612 HydrophobicContact CH2-CG 3.61Å; W419-W612 HydrophobicContact CZ2-CB 3.99Å; W419-W612 HydrophobicContact CZ2-CD2 4.47Å; W419-W612 AromaticContact CZ2-CG 3.94Å; W419-W612 HydrophobicContact CZ2-CG 3.94Å; W419-W612 HydrophobicContact CZ3-CB 4.35Å; I525-W612 HydrophobicContact CD1-CB 3.54Å; I525-W612 WeakPolarHBondContact CD1-O 3.44Å; C526-W612 WeakPolarHBondContact CB-O 3.36Å; C526-W612 PolarHBondContact N-O 3.44Å; L541-W612 HydrophobicContact CB-CZ3 4.37Å; L541-W612 HydrophobicContact CD1-CH2 3.55Å; L541-W612 HydrophobicContact CD1-CZ2 4.3Å; L541-W612 HydrophobicContact CD1-CZ3 3.82Å; L541-W612 HydrophobicContact CG-CH2 4.21Å; L541-W612 HydrophobicContact CG-CZ3 4.15Å; V605-W612 HydrophobicContact CB-CE3 4.33Å; V605-W612 HydrophobicContact CG2-CD2 4.44Å; V605-W612 HydrophobicContact CG2-CE3 3.75Å; V605-W612 HydrophobicContact CG2-CZ3 4.31Å; C606-W612 CarbonylContact O-C 3.52Å; C606-W612 WeakPolarHBondContact O-CA 3.23Å; K607-W612 HydrophobicContact CB-CE3 4.18Å; K607-W612 HydrophobicContact CB-CH2 4.46Å; K607-W612 HydrophobicContact CB-CZ3 4.12Å
613	V	93.1	Very high	89.8	Confident	0 Å²	0	32.5 Å²	32.5	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125	125.4	-176.8	179.3	0	0	0	0	109.1	C526 P528 V605 C606 D608 K615	C526-V613 HydrophobicContact CB-CG2 4.08Å; C526-V613 CarbonylContact O-C 3.56Å; C526-V613 VanDerWaalsContact O-CA 3.3Å; C526-V613 WeakPolarHBondContact O-CA 3.23Å; P528-V613 HydrophobicContact CB-CG1 4.08Å; V605-V613 CarbonylContact C-O 3.54Å; V605-V613 WeakPolarHBondContact CA-O 3.5Å; C606-V613 PolarHBondContact N-O 2.73Å; C606-V613 PolarHBondContact O-N 3.45Å; D608-V613 HydrophobicContact CB-CG2 3.65Å; V613-K615 HydrophobicContact CG1-CG 4.48Å; V613-K615 PolarHBondContact O-N 3.49Å
614	Q	94.9	Very high	88.9	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78	102.7	176.7	-178.4	177.9	5.2	0	0	110.5	T434 I525 C526 L527 P528 P603 V605 G616 V636	T434-Q614 PolarHBondContact OG1-NE2 3.27Å; T434-Q614 PolarHBondContact OG1-OE1 2.95Å; T434-Q614 VanDerWaalsContact OG1-OE1 3.13Å; I525-Q614 HydrophobicContact CG1-CB 3.81Å; I525-Q614 HydrophobicContact CG2-CB 4.01Å; C526-Q614 PolarHBondContact O-N 2.91Å; L527-Q614 HydrophobicContact CD2-CB 4.2Å; P528-Q614 WeakPolarHBondContact CD-O 3.42Å; P603-Q614 HydrophobicContact CB-CG 3.75Å; V605-Q614 HydrophobicContact CG1-CB 4.25Å; Q614-G616 WeakPolarHBondContact CG-O 3.25Å; Q614-G616 PolarHBondContact NE2-O 3.36Å; Q614-V636 HydrophobicContact CG-CG2 4.23Å
615	K	94.9	Very high	88.1	Confident	15 Å²	15	34.9 Å²	34.9	7%	0.065	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	-26.8	176.2	-66.1	-164.6	-175	-179.1	0	112.8	E538 F562 L584 L604 C606 V613 V636	E538-K615 WeakPolarHBondContact OE1-CE 3.47Å; E538-K615 IonicContact OE1-NZ 3.41Å; E538-K615 PolarHBondContact OE1-NZ 2.93Å; E538-K615 IonicContact OE2-NZ 3.95Å; E538-K615 PolarHBondContact OE2-NZ 2.03Å; F562-K615 HydrophobicContact CE2-CD 4Å; F562-K615 HydrophobicContact CZ-CB 3.94Å; F562-K615 HydrophobicContact CZ-CD 4.23Å; L584-K615 HydrophobicContact CD1-CB 4.38Å; L584-K615 WeakPolarHBondContact CD1-O 3.18Å; L604-K615 PolarHBondContact O-N 2.84Å; C606-K615 HydrophobicContact CB-CD 4.15Å; C606-K615 HydrophobicContact CB-CG 4.28Å; V613-K615 HydrophobicContact CG1-CG 4.48Å; V613-K615 PolarHBondContact O-N 3.49Å; K615-V636 PolarHBondContact O-N 2.85Å
616	G	94.8	Very high	87.7	Confident	0 Å²	0	39.5 Å²	39.5	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	163.9	180	0	0	0	0	0	115.2	L604 Q614 T634	L604-G616 PolarHBondContact N-O 3.4Å; L604-G616 PolarHBondContact O-N 3.33Å; Q614-G616 WeakPolarHBondContact CG-O 3.25Å; Q614-G616 PolarHBondContact NE2-O 3.36Å; G616-T634 VanDerWaalsContact CA-O 3.28Å; G616-T634 WeakPolarHBondContact CA-O 3.33Å
617	V	95.4	Very high	87.6	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	132.3	162.5	176.8	0	0	0	0	107.4	L449 A451 G602 S619 Y633 T634 V636	L449-V617 HydrophobicContact CD2-CG2 4.36Å; L449-V617 HydrophobicContact CG-CG2 4.46Å; A451-V617 HydrophobicContact CB-CG1 3.97Å; G602-V617 CarbonylContact O-C 3.12Å; G602-V617 WeakPolarHBondContact O-CA 3.41Å; V617-S619 PolarHBondContact O-N 2.95Å; V617-Y633 CarbonylContact O-C 3.53Å; V617-Y633 WeakPolarHBondContact O-CA 3.4Å; V617-Y633 WeakPolarHBondContact O-CB 3.35Å; V617-T634 PolarHBondContact N-O 3.26Å; V617-T634 VanDerWaalsContact N-O 3.12Å; V617-T634 PolarHBondContact O-N 3.33Å; V617-V636 HydrophobicContact CG2-CG2 3.85Å
618	V	93.5	Very high	87.7	Confident	12 Å²	12	45.5 Å²	45.5	7%	0.073	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-60.9	120.6	176.7	178.3	0	0	0	0	109.2	A595 D599 G601 G602 Y633	A595-V618 HydrophobicContact CB-CG1 4.06Å; A595-V618 HydrophobicContact CB-CG2 4.23Å; D599-V618 HydrophobicContact CB-CG1 4.35Å; D599-V618 VanDerWaalsContact O-CB 3.3Å; D599-V618 WeakPolarHBondContact O-CB 3.43Å; D599-V618 WeakPolarHBondContact O-CG2 3.44Å; G601-V618 PolarHBondContact N-O 2.9Å; G602-V618 WeakPolarHBondContact O-CG2 3.46Å; G602-V618 PolarHBondContact O-N 3.43Å; V618-Y633 HydrophobicContact CB-CD1 4.46Å; V618-Y633 HydrophobicContact CG2-CD1 4Å; V618-Y633 HydrophobicContact CG2-CE1 3.74Å
619	S	93.4	Very high	88	Confident	7 Å²	7	45.1 Å²	45.1	5%	0.049	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	-66.6	-174.5	179.7	0	0	0	0	112.4	H453 D506 V617 I632	H453-S619 PolarHBondContact CE1-O 3.34Å; D506-S619 WeakPolarHBondContact CB-OG 3.37Å; D506-S619 WeakPolarHBondContact OD2-CA 3.32Å; D506-S619 VanDerWaalsContact OD2-CB 3.31Å; D506-S619 WeakPolarHBondContact OD2-CB 3.48Å; D506-S619 PolarHBondContact OD2-OG 2.96Å; V617-S619 PolarHBondContact O-N 2.95Å; S619-I632 WeakPolarHBondContact CB-O 3.48Å; S619-I632 PolarHBondContact N-O 3.26Å; S619-I632 VanDerWaalsContact N-O 3.08Å
620	F	90.7	Very high	88.3	Confident	36 Å²	36	42.6 Å²	42.6	16%	0.158	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-154.9	167.7	179.6	69.5	-93.1	0	0	0	113.8	P503 Y574 R577 M583 I632	P503-F620 HydrophobicContact CB-CD1 4.13Å; P503-F620 HydrophobicContact CB-CE1 4.01Å; P503-F620 HydrophobicContact CG-CD1 4.2Å; P503-F620 HydrophobicContact CG-CE1 3.72Å; P503-F620 HydrophobicContact CG-CZ 4.33Å; Y574-F620 HydrophobicContact CD1-CE2 4.16Å; Y574-F620 HydrophobicContact CE1-CE2 4.44Å; Y574-F620 HydrophobicContact CG-CE2 4.43Å; R577-F620 HydrophobicContact CB-CZ 4.41Å; M583-F620 HydrophobicContact CE-CE1 3.86Å; M583-F620 HydrophobicContact SD-CE1 4.27Å; F620-I632 HydrophobicContact CD1-CB 4.13Å; F620-I632 HydrophobicContact CD1-CG2 4.05Å; F620-I632 HydrophobicContact CD2-CB 4.22Å; F620-I632 HydrophobicContact CD2-CG1 4.18Å; F620-I632 HydrophobicContact CE1-CB 3.96Å; F620-I632 HydrophobicContact CE1-CG1 4.37Å; F620-I632 HydrophobicContact CE1-CG2 3.56Å; F620-I632 HydrophobicContact CE2-CB 4.06Å; F620-I632 HydrophobicContact CE2-CG1 3.7Å; F620-I632 HydrophobicContact CE2-CG2 4.42Å; F620-I632 HydrophobicContact CG-CB 4.26Å; F620-I632 HydrophobicContact CZ-CB 3.93Å; F620-I632 HydrophobicContact CZ-CG1 3.81Å; F620-I632 HydrophobicContact CZ-CG2 3.78Å; F620-I632 PolarHBondContact N-O 3.47Å; F620-I632 WeakPolarHBondContact O-CB 3.44Å; F620-I632 PolarHBondContact O-N 2.87Å
621	G	85.7	Confident	88.5	Confident	35 Å²	35	36.1 Å²	36.1	36%	0.361	19%	0.193	S	C	.	.			trans	-153	-174.9	169	0	0	0	0	0	110.7	Y574	Y574-G621 WeakPolarHBondContact OH-CA 3.23Å
622	E	82.8	Confident	88.7	Confident	72 Å²	72	32.7 Å²	32.7	34%	0.336	18%	0.179	S	C	.	.	S	Bend	trans	-128.3	108.6	166.4	-78.2	173.7	-143	0	0	108	Y574 R577 K629	Y574-E622 HydrophobicContact CD1-CG 4.29Å; Y574-E622 HydrophobicContact CE1-CB 3.94Å; Y574-E622 HydrophobicContact CE1-CG 3.89Å; Y574-E622 PolarHBondContact OH-N 3.14Å; R577-E622 IonicContact NH1-OE1 3.25Å; E622-K629 HydrophobicContact CB-CD 4.03Å; E622-K629 HydrophobicContact CB-CG 4.25Å; E622-K629 WeakPolarHBondContact O-CB 3.35Å; E622-K629 IonicContact OE1-NZ 2.68Å; E622-K629 WeakPolarHBondContact OE2-CE 3.46Å; E622-K629 IonicContact OE2-NZ 2.97Å; E622-K629 PolarHBondContact OE2-NZ 2.93Å
623	G	76.8	Confident	88.9	Confident	47 Å²	47	31.6 Å²	31.6	49%	0.485	18%	0.175	S	C	.	.	S	Bend	trans	75.2	-170.3	-160.7	0	0	0	0	0	111.7
624	C	75.4	Confident	89	Confident	42 Å²	42	31.7 Å²	31.7	28%	0.284	18%	0.176	S	C	.	.	S	Bend	trans	-128.7	101.5	173.8	-60.6	0	0	0	0	108.9	C596	C596-C624 WeakPolarHBondContact CA-SG 3.24Å; C596-C624 HydrophobicContact CB-CB 3.67Å; C596-C624 WeakPolarHBondContact CB-SG 3.42Å; C596-C624 WeakPolarHBondContact SG-CB 3.32Å; C596-C624 CovalentContact SG-SG 2.04Å; C596-C624 PolarHBondContact SG-SG 2.92Å
625	G	73.2	Confident	89.1	Confident	11 Å²	11	32.8 Å²	32.8	11%	0.113	18%	0.181	C	C	.	.	S	Bend	trans	69.6	32.4	-173.5	0	0	0	0	0	113.4	G591 G592 D594	G591-G625 CarbonylContact C-O 3.49Å; G591-G625 WeakPolarHBondContact CA-O 3.45Å; G592-G625 PolarHBondContact N-O 3.45Å; D594-G625 PolarHBondContact OD2-N 2.93Å
626	D	84	Confident	89.2	Confident	96 Å²	96	32.1 Å²	32.1	51%	0.513	18%	0.178	S	C	.	.	B	Isolated β-bridge	trans	-73.2	154.8	171.4	-100.3	-27.6	0	0	0	111.4	R628 K629	D626-R628 PolarHBondContact O-N 2.94Å; D626-K629 HydrophobicContact CB-CB 3.89Å; D626-K629 HydrophobicContact CB-CG 4.08Å; D626-K629 PolarHBondContact O-N 2.91Å
627	K	89	Confident	89.2	Confident	130 Å²	130	32.1 Å²	32.1	57%	0.565	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	-67.6	125.5	-175.2	-176.2	158.4	-169.1	153.4	0	111.5	D590 K629	D590-K627 VanDerWaalsContact OD1-CE 3.23Å; D590-K627 WeakPolarHBondContact OD1-CE 3.31Å; D590-K627 IonicContact OD1-NZ 2.74Å; D590-K627 PolarHBondContact OD1-NZ 3.44Å; K627-K629 PolarHBondContact O-N 3.37Å
628	R	90.3	Very high	89.2	Confident	113 Å²	113	34 Å²	34	43%	0.426	19%	0.194	S	C	.	.	T	Hydrogen-bonded Turn	trans	62.7	17.2	-168	-54.8	-179.8	-65.6	-153.3	-7.7	115.1	D572 S573 M589 D626 P630	D572-R628 WeakPolarHBondContact OD2-CD 3.44Å; D572-R628 IonicContact OD2-CZ 2.89Å; D572-R628 VanDerWaalsContact OD2-CZ 3.26Å; D572-R628 IonicContact OD2-NE 3.5Å; D572-R628 PolarHBondContact OD2-NE 2.94Å; D572-R628 IonicContact OD2-NH1 2.74Å; D572-R628 PolarHBondContact OD2-NH1 3.29Å; S573-R628 WeakPolarHBondContact CB-O 3.33Å; S573-R628 PolarHBondContact OG-O 3.28Å; M589-R628 HydrophobicContact CE-CB 4.14Å; M589-R628 HydrophobicContact CE-CG 4.19Å; M589-R628 PolarHBondContact O-N 3.4Å; D626-R628 PolarHBondContact O-N 2.94Å; R628-P630 WeakPolarHBondContact O-CD 3.33Å
629	K	91	Very high	89.4	Confident	39 Å²	39	34 Å²	34	17%	0.17	19%	0.193	C	C	.	.	B	Isolated β-bridge	trans	-122	61.7	175.3	-54.9	-62.4	-167.7	160	0	111.4	S573 Y574 E622 D626 K627	S573-K629 PolarHBondContact O-NZ 3.06Å; Y574-K629 HydrophobicContact CE1-CD 4.03Å; Y574-K629 VanDerWaalsContact OH-C 3.31Å; Y574-K629 PolarHBondContact OH-O 3.2Å; E622-K629 HydrophobicContact CB-CD 4.03Å; E622-K629 HydrophobicContact CB-CG 4.25Å; E622-K629 WeakPolarHBondContact O-CB 3.35Å; E622-K629 IonicContact OE1-NZ 2.68Å; E622-K629 WeakPolarHBondContact OE2-CE 3.46Å; E622-K629 IonicContact OE2-NZ 2.97Å; E622-K629 PolarHBondContact OE2-NZ 2.93Å; D626-K629 HydrophobicContact CB-CB 3.89Å; D626-K629 HydrophobicContact CB-CG 4.08Å; D626-K629 PolarHBondContact O-N 2.91Å; K627-K629 PolarHBondContact O-N 3.37Å
630	P	90.2	Very high	89.5	Confident	1 Å²	1	36 Å²	36	1%	0.006	20%	0.2	C	C	.	.	P	Polyproline II helix	trans	-70.2	155.4	171.2	33.9	-37	0	0	0	110.5	L563 Y574 M589 R628	L563-P630 HydrophobicContact CD1-CB 3.81Å; L563-P630 HydrophobicContact CD1-CG 3.73Å; Y574-P630 WeakPolarHBondContact CE2-O 3.28Å; Y574-P630 PolarHBondContact OH-O 3.35Å; M589-P630 HydrophobicContact SD-CG 3.92Å; R628-P630 WeakPolarHBondContact O-CD 3.33Å
631	G	90	Very high	89.7	Confident	6 Å²	6	36.6 Å²	36.6	6%	0.062	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-58	143.3	179	0	0	0	0	0	115	A586 D594 Y633	A586-G631 PolarHBondContact N-O 3.24Å; A586-G631 PolarHBondContact O-N 2.71Å; D594-G631 WeakPolarHBondContact OD1-CA 3.48Å; D594-G631 PolarHBondContact OD1-N 3.46Å; D594-G631 PolarHBondContact OD2-N 2.92Å; G631-Y633 VanDerWaalsContact C-CE2 3.5Å; G631-Y633 WeakPolarHBondContact O-CD2 3.35Å; G631-Y633 VanDerWaalsContact O-CE2 3.24Å; G631-Y633 WeakPolarHBondContact O-CE2 3.36Å
632	I	93.2	Very high	90.3	Very high	1 Å²	1	36.7 Å²	36.7	1%	0.005	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	133.3	168.7	-60	-66	0	0	0	109.4	C568 Y574 V578 M583 S619 F620	C568-I632 HydrophobicContact CB-CD1 3.77Å; C568-I632 WeakPolarHBondContact SG-CD1 2.98Å; Y574-I632 HydrophobicContact CD2-CD1 3.84Å; Y574-I632 HydrophobicContact CD2-CG1 3.9Å; Y574-I632 HydrophobicContact CE2-CD1 3.91Å; Y574-I632 HydrophobicContact CE2-CG1 3.75Å; V578-I632 HydrophobicContact CG2-CD1 4.33Å; M583-I632 HydrophobicContact CB-CG2 4.17Å; M583-I632 HydrophobicContact CG-CG2 4.15Å; M583-I632 HydrophobicContact SD-CG2 3.86Å; S619-I632 WeakPolarHBondContact CB-O 3.48Å; S619-I632 PolarHBondContact N-O 3.26Å; S619-I632 VanDerWaalsContact N-O 3.08Å; F620-I632 HydrophobicContact CD1-CB 4.13Å; F620-I632 HydrophobicContact CD1-CG2 4.05Å; F620-I632 HydrophobicContact CD2-CB 4.22Å; F620-I632 HydrophobicContact CD2-CG1 4.18Å; F620-I632 HydrophobicContact CE1-CB 3.96Å; F620-I632 HydrophobicContact CE1-CG1 4.37Å; F620-I632 HydrophobicContact CE1-CG2 3.56Å; F620-I632 HydrophobicContact CE2-CB 4.06Å; F620-I632 HydrophobicContact CE2-CG1 3.7Å; F620-I632 HydrophobicContact CE2-CG2 4.42Å; F620-I632 HydrophobicContact CG-CB 4.26Å; F620-I632 HydrophobicContact CZ-CB 3.93Å; F620-I632 HydrophobicContact CZ-CG1 3.81Å; F620-I632 HydrophobicContact CZ-CG2 3.78Å; F620-I632 PolarHBondContact N-O 3.47Å; F620-I632 WeakPolarHBondContact O-CB 3.44Å; F620-I632 PolarHBondContact O-N 2.87Å
633	Y	94.1	Very high	90.9	Very high	1 Å²	1	33.2 Å²	33.2	0%	0.004	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.5	140.7	-176.8	-55	-107.7	0	0	0	110.3	P542 M583 L584 A586 L604 V617 V618 G631 N635	P542-Y633 HydrophobicContact CB-CE1 4.4Å; M583-Y633 CarbonylContact C-O 3.54Å; M583-Y633 WeakPolarHBondContact CA-O 3.41Å; L584-Y633 PolarHBondContact N-O 3.24Å; L584-Y633 PolarHBondContact O-N 2.88Å; A586-Y633 HydrophobicContact CB-CD2 4.09Å; A586-Y633 HydrophobicContact CB-CE2 3.69Å; L604-Y633 HydrophobicContact CB-CD1 3.75Å; L604-Y633 HydrophobicContact CB-CE1 3.98Å; L604-Y633 HydrophobicContact CD1-CE1 4.21Å; L604-Y633 HydrophobicContact CD2-CD1 3.8Å; L604-Y633 HydrophobicContact CD2-CD2 4.14Å; L604-Y633 HydrophobicContact CD2-CE1 3.99Å; L604-Y633 HydrophobicContact CD2-CE2 4.38Å; L604-Y633 HydrophobicContact CD2-CG 3.88Å; L604-Y633 HydrophobicContact CG-CD1 4.29Å; L604-Y633 HydrophobicContact CG-CE1 4.3Å; V617-Y633 CarbonylContact O-C 3.53Å; V617-Y633 WeakPolarHBondContact O-CA 3.4Å; V617-Y633 WeakPolarHBondContact O-CB 3.35Å; V618-Y633 HydrophobicContact CB-CD1 4.46Å; V618-Y633 HydrophobicContact CG2-CD1 4Å; V618-Y633 HydrophobicContact CG2-CE1 3.74Å; G631-Y633 VanDerWaalsContact C-CE2 3.5Å; G631-Y633 WeakPolarHBondContact O-CD2 3.35Å; G631-Y633 VanDerWaalsContact O-CE2 3.24Å; G631-Y633 WeakPolarHBondContact O-CE2 3.36Å; Y633-N635 PolarHBondContact O-N 2.87Å
634	T	96.3	Very high	91.8	Very high	2 Å²	2	33.6 Å²	33.6	1%	0.012	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72	127.6	175	-46.7	0	0	0	0	110.2	D506 I507 G616 V617 V636 F639	D506-T634 WeakPolarHBondContact O-CB 3.26Å; D506-T634 PolarHBondContact O-OG1 3.45Å; I507-T634 HydrophobicContact CB-CG2 4.22Å; G616-T634 VanDerWaalsContact CA-O 3.28Å; G616-T634 WeakPolarHBondContact CA-O 3.33Å; V617-T634 PolarHBondContact N-O 3.26Å; V617-T634 VanDerWaalsContact N-O 3.12Å; V617-T634 PolarHBondContact O-N 3.33Å; T634-V636 PolarHBondContact O-N 3.38Å; T634-V636 VanDerWaalsContact O-N 3.16Å; T634-F639 HydrophobicContact CG2-CD2 3.56Å; T634-F639 HydrophobicContact CG2-CE2 3.36Å; T634-F639 HydrophobicContact CG2-CZ 4.37Å
635	N	96.2	Very high	92.7	Very high	22 Å²	22	37.9 Å²	37.9	12%	0.118	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	102	-176.9	-177.9	3	0	0	0	111.5	E581 I582 L584 Y633 G637 A638 F639	E581-N635 PolarHBondContact O-ND2 2.92Å; I582-N635 VanDerWaalsContact C-CB 3.47Å; I582-N635 VanDerWaalsContact O-CB 3.24Å; I582-N635 WeakPolarHBondContact O-CB 3.25Å; I582-N635 PolarHBondContact O-N 3.4Å; L584-N635 HydrophobicContact CD1-CB 4.31Å; L584-N635 HydrophobicContact CD2-CB 4.07Å; L584-N635 HydrophobicContact CG-CB 3.86Å; Y633-N635 PolarHBondContact O-N 2.87Å; N635-G637 PolarHBondContact O-N 3.45Å; N635-G637 PolarHBondContact OD1-N 3.27Å; N635-A638 HydrophobicContact CB-CB 4.02Å; N635-A638 WeakPolarHBondContact O-CB 3.38Å; N635-A638 PolarHBondContact O-N 3.46Å; N635-F639 WeakPolarHBondContact O-CD2 3.39Å; N635-F639 PolarHBondContact O-N 3.31Å
636	V	96.5	Very high	93.7	Very high	1 Å²	1	37.8 Å²	37.8	1%	0.006	19%	0.185	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.3	-27.4	-178.9	-179.2	0	0	0	0	112	L449 L527 P528 Q614 K615 V617 T634 A638 F639 R640	L449-V636 HydrophobicContact CD2-CG1 4.27Å; L449-V636 HydrophobicContact CD2-CG2 4.42Å; L527-V636 HydrophobicContact CD2-CG1 4.06Å; P528-V636 HydrophobicContact CG-CB 4.24Å; P528-V636 HydrophobicContact CG-CG1 4.08Å; Q614-V636 HydrophobicContact CG-CG2 4.23Å; K615-V636 PolarHBondContact O-N 2.85Å; V617-V636 HydrophobicContact CG2-CG2 3.85Å; T634-V636 PolarHBondContact O-N 3.38Å; T634-V636 VanDerWaalsContact O-N 3.16Å; V636-A638 VanDerWaalsContact C-N 3.28Å; V636-A638 PolarHBondContact O-N 2.89Å; V636-F639 PolarHBondContact O-N 3.45Å; V636-R640 PolarHBondContact O-N 3.39Å
637	G	95.4	Very high	94	Very high	0 Å²	0	34 Å²	34	0%	0	16%	0.164	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-24	173.4	0	0	0	0	0	114	E530 G531 N635	E530-G637 WeakPolarHBondContact CA-O 3.46Å; G531-G637 PolarHBondContact N-O 2.89Å; N635-G637 PolarHBondContact O-N 3.45Å; N635-G637 PolarHBondContact OD1-N 3.27Å
638	A	96.2	Very high	93.9	Very high	39 Å²	39	29.7 Å²	29.7	32%	0.322	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	-33.8	175.6	0	0	0	0	0	112.6	I582 N635 V636 R640	I582-A638 HydrophobicContact CB-CB 4.39Å; I582-A638 HydrophobicContact CG2-CB 4.09Å; N635-A638 HydrophobicContact CB-CB 4.02Å; N635-A638 WeakPolarHBondContact O-CB 3.38Å; N635-A638 PolarHBondContact O-N 3.46Å; V636-A638 VanDerWaalsContact C-N 3.28Å; V636-A638 PolarHBondContact O-N 2.89Å; A638-R640 VanDerWaalsContact C-N 3.28Å; A638-R640 PolarHBondContact O-N 2.88Å
639	F	96.8	Very high	93.8	Very high	13 Å²	13	29.8 Å²	29.8	6%	0.057	16%	0.159	C	C	.	.	S	Bend	trans	-87.6	10.5	176.5	-69	-77.5	0	0	0	113.9	H495 S505 I507 I582 T634 N635 V636 S641 W642 V643	H495-F639 AromaticContact CD2-CD1 3.8Å; H495-F639 AromaticContact CD2-CE1 3.85Å; H495-F639 AromaticContact NE2-CD1 3.96Å; H495-F639 AromaticContact NE2-CE1 3.75Å; S505-F639 WeakPolarHBondContact OG-CE1 3.35Å; S505-F639 WeakPolarHBondContact OG-CZ 3.43Å; I507-F639 HydrophobicContact CD1-CB 3.7Å; I507-F639 HydrophobicContact CD1-CD2 4.43Å; I507-F639 HydrophobicContact CD1-CG 4.17Å; I507-F639 HydrophobicContact CG2-CB 4.4Å; I507-F639 HydrophobicContact CG2-CD1 3.96Å; I507-F639 HydrophobicContact CG2-CD2 4.4Å; I507-F639 HydrophobicContact CG2-CE1 4.42Å; I507-F639 HydrophobicContact CG2-CG 3.97Å; I582-F639 HydrophobicContact CB-CE2 3.85Å; I582-F639 HydrophobicContact CB-CZ 4.03Å; I582-F639 HydrophobicContact CD1-CZ 4.45Å; I582-F639 HydrophobicContact CG2-CE2 4.47Å; I582-F639 HydrophobicContact CG2-CZ 4.37Å; T634-F639 HydrophobicContact CG2-CD2 3.56Å; T634-F639 HydrophobicContact CG2-CE2 3.36Å; T634-F639 HydrophobicContact CG2-CZ 4.37Å; N635-F639 WeakPolarHBondContact O-CD2 3.39Å; N635-F639 PolarHBondContact O-N 3.31Å; V636-F639 PolarHBondContact O-N 3.45Å; F639-S641 PolarHBondContact O-N 3.48Å; F639-W642 WeakPolarHBondContact O-CB 3.34Å; F639-W642 PolarHBondContact O-N 3.29Å; F639-W642 VanDerWaalsContact O-N 3.13Å; F639-V643 PolarHBondContact O-N 2.95Å
640	R	95.7	Very high	93.6	Very high	50 Å²	50	28 Å²	28	19%	0.189	15%	0.151	C	C	.	.	H	α-helix	trans	-60	-47	-170.7	179.9	58.5	-159.5	-91.5	-7.3	113.1	P528 E530 V636 A638 W642 V643 D644	P528-R640 VanDerWaalsContact O-CD 3.3Å; P528-R640 WeakPolarHBondContact O-CD 3.42Å; P528-R640 PolarHBondContact O-NH1 3.03Å; E530-R640 HydrophobicContact CB-CB 3.98Å; E530-R640 HydrophobicContact CB-CG 4.1Å; E530-R640 HydrophobicContact CG-CB 4.44Å; V636-R640 PolarHBondContact O-N 3.39Å; A638-R640 VanDerWaalsContact C-N 3.28Å; A638-R640 PolarHBondContact O-N 2.88Å; R640-W642 VanDerWaalsContact C-N 3.34Å; R640-W642 PolarHBondContact O-N 2.92Å; R640-V643 PolarHBondContact O-N 2.84Å; R640-D644 IonicContact CZ-OD1 3.9Å; R640-D644 IonicContact CZ-OD2 3.91Å; R640-D644 VanDerWaalsContact NE-CG 3.3Å; R640-D644 IonicContact NE-OD1 2.77Å; R640-D644 PolarHBondContact NE-OD1 3.47Å; R640-D644 IonicContact NE-OD2 3.24Å; R640-D644 PolarHBondContact NE-OD2 2.85Å; R640-D644 IonicContact NH2-OD1 3.45Å; R640-D644 PolarHBondContact NH2-OD1 3.29Å; R640-D644 IonicContact NH2-OD2 2.65Å; R640-D644 PolarHBondContact NH2-OD2 3.28Å; R640-D644 PolarHBondContact O-N 3.01Å; R640-D644 VanDerWaalsContact O-N 3.09Å; R640-D644 VanDerWaalsContact O-OD1 3.12Å
641	S	95.7	Very high	92.9	Very high	47 Å²	47	30.8 Å²	30.8	33%	0.329	17%	0.171	S	C	.	.	H	α-helix	trans	-62.6	-39	175.9	-73.8	0	0	0	0	112.7	E530 F639 V643 D644 E645	E530-S641 VanDerWaalsContact OE1-CB 3.27Å; E530-S641 WeakPolarHBondContact OE1-CB 3.5Å; E530-S641 PolarHBondContact OE1-OG 2.81Å; E530-S641 PolarHBondContact OE2-OG 3.5Å; F639-S641 PolarHBondContact O-N 3.48Å; S641-V643 VanDerWaalsContact C-N 3.34Å; S641-V643 PolarHBondContact O-N 2.81Å; S641-D644 PolarHBondContact O-N 3.32Å; S641-E645 VanDerWaalsContact O-CB 3.31Å; S641-E645 WeakPolarHBondContact O-CB 3.48Å; S641-E645 VanDerWaalsContact O-CG 3.27Å; S641-E645 WeakPolarHBondContact O-CG 3.4Å; S641-E645 PolarHBondContact O-N 3.1Å
642	W	96.8	Very high	92.1	Very high	37 Å²	37	36.3 Å²	36.3	14%	0.14	19%	0.193	C	C	.	.	H	α-helix	trans	-62.1	-38.9	175.5	172.9	82	0	0	0	112.7	I493 H495 I507 I509 F639 R640 T646	I493-W642 HydrophobicContact CG2-CZ2 4.29Å; H495-W642 HydrophobicContact CB-CZ2 4.11Å; H495-W642 AromaticContact CD2-CD1 3.47Å; H495-W642 VanDerWaalsContact CD2-CD1 3.47Å; H495-W642 AromaticContact CD2-CD2 3.7Å; H495-W642 AromaticContact CD2-CE2 3.74Å; H495-W642 AromaticContact CD2-CG 3.54Å; H495-W642 AromaticContact CD2-NE1 3.57Å; H495-W642 AromaticContact NE2-CD1 3.96Å; I507-W642 HydrophobicContact CB-CZ3 4.35Å; I507-W642 HydrophobicContact CD1-CE3 4.34Å; I507-W642 HydrophobicContact CD1-CZ3 4.1Å; I507-W642 HydrophobicContact CG1-CZ3 3.91Å; I507-W642 HydrophobicContact CG2-CE3 3.93Å; I507-W642 HydrophobicContact CG2-CH2 4.18Å; I507-W642 HydrophobicContact CG2-CZ3 3.71Å; I509-W642 HydrophobicContact CD1-CH2 4.28Å; I509-W642 HydrophobicContact CD1-CZ3 4.13Å; I509-W642 HydrophobicContact CG1-CH2 3.95Å; I509-W642 HydrophobicContact CG1-CZ3 4Å; F639-W642 WeakPolarHBondContact O-CB 3.34Å; F639-W642 PolarHBondContact O-N 3.29Å; F639-W642 VanDerWaalsContact O-N 3.13Å; R640-W642 VanDerWaalsContact C-N 3.34Å; R640-W642 PolarHBondContact O-N 2.92Å; W642-T646 PolarHBondContact NE1-OG1 2.98Å; W642-T646 WeakPolarHBondContact O-CB 3.43Å; W642-T646 PolarHBondContact O-N 3.32Å; W642-T646 PolarHBondContact O-OG1 2.97Å
643	V	96.5	Very high	90.8	Very high	0 Å²	0	39.4 Å²	39.4	0%	0	21%	0.212	C	C	.	.	H	α-helix	trans	-62.8	-49.3	175	173.3	0	0	0	0	110.2	I436 F438 L449 I507 I509 L527 F639 R640 S641 T646 I647	I436-V643 HydrophobicContact CD1-CG1 4.48Å; F438-V643 HydrophobicContact CE2-CG1 4.13Å; F438-V643 HydrophobicContact CZ-CG1 3.74Å; L449-V643 HydrophobicContact CD1-CG2 4.18Å; I507-V643 HydrophobicContact CD1-CG2 4.24Å; I509-V643 HydrophobicContact CD1-CB 4.44Å; I509-V643 HydrophobicContact CD1-CG1 4.05Å; I509-V643 HydrophobicContact CD1-CG2 4.5Å; L527-V643 HydrophobicContact CD1-CG1 4Å; F639-V643 PolarHBondContact O-N 2.95Å; R640-V643 PolarHBondContact O-N 2.84Å; S641-V643 VanDerWaalsContact C-N 3.34Å; S641-V643 PolarHBondContact O-N 2.81Å; V643-T646 PolarHBondContact O-N 3.49Å; V643-I647 HydrophobicContact CG1-CD1 3.67Å; V643-I647 WeakPolarHBondContact O-CB 3.48Å; V643-I647 WeakPolarHBondContact O-CD1 3.42Å; V643-I647 VanDerWaalsContact O-CG1 3.23Å; V643-I647 WeakPolarHBondContact O-CG1 3.4Å; V643-I647 PolarHBondContact O-N 2.84Å
644	D	94.5	Very high	89.1	Confident	54 Å²	54	42 Å²	42	29%	0.289	22%	0.222	S	C	.	.	H	α-helix	trans	-66.9	-41.6	-176.8	-69.8	29.9	0	0	0	111.8	F438 R640 S641 I647 A648	F438-D644 WeakPolarHBondContact CE1-OD1 3.45Å; F438-D644 WeakPolarHBondContact CZ-OD1 3.43Å; R640-D644 IonicContact CZ-OD1 3.9Å; R640-D644 IonicContact CZ-OD2 3.91Å; R640-D644 VanDerWaalsContact NE-CG 3.3Å; R640-D644 IonicContact NE-OD1 2.77Å; R640-D644 PolarHBondContact NE-OD1 3.47Å; R640-D644 IonicContact NE-OD2 3.24Å; R640-D644 PolarHBondContact NE-OD2 2.85Å; R640-D644 IonicContact NH2-OD1 3.45Å; R640-D644 PolarHBondContact NH2-OD1 3.29Å; R640-D644 IonicContact NH2-OD2 2.65Å; R640-D644 PolarHBondContact NH2-OD2 3.28Å; R640-D644 PolarHBondContact O-N 3.01Å; R640-D644 VanDerWaalsContact O-N 3.09Å; R640-D644 VanDerWaalsContact O-OD1 3.12Å; S641-D644 PolarHBondContact O-N 3.32Å; D644-I647 PolarHBondContact O-N 2.86Å; D644-A648 PolarHBondContact O-N 3.03Å
645	E	94.5	Very high	86.3	Confident	132 Å²	132	44.7 Å²	44.7	62%	0.617	24%	0.241	S	C	*	.	H	α-helix	trans	-61.6	-50.2	173.1	-75.8	177.5	174.6	0	0	111.9	S641 I647 A648 E649	S641-E645 VanDerWaalsContact O-CB 3.31Å; S641-E645 WeakPolarHBondContact O-CB 3.48Å; S641-E645 VanDerWaalsContact O-CG 3.27Å; S641-E645 WeakPolarHBondContact O-CG 3.4Å; S641-E645 PolarHBondContact O-N 3.1Å; E645-I647 PolarHBondContact O-N 3.05Å; E645-A648 CarbonylContact O-C 3.48Å; E645-A648 WeakPolarHBondContact O-CA 3.5Å; E645-A648 WeakPolarHBondContact O-CB 3.47Å; E645-A648 PolarHBondContact O-N 2.87Å; E645-E649 PolarHBondContact O-N 3.15Å
646	T	94.2	Very high	83.3	Confident	9 Å²	9	52.1 Å²	52.1	6%	0.055	27%	0.272	C	S	.	.	H	α-helix	trans	-58	-40.5	178.7	-61.3	0	0	0	0	110.3	I493 I509 W642 V643 E649 L650	I493-T646 HydrophobicContact CB-CG2 4.28Å; I493-T646 HydrophobicContact CD1-CG2 3.74Å; I493-T646 HydrophobicContact CG2-CG2 4.01Å; I509-T646 HydrophobicContact CD1-CG2 3.92Å; W642-T646 PolarHBondContact NE1-OG1 2.98Å; W642-T646 WeakPolarHBondContact O-CB 3.43Å; W642-T646 PolarHBondContact O-N 3.32Å; W642-T646 PolarHBondContact O-OG1 2.97Å; V643-T646 PolarHBondContact O-N 3.49Å; T646-E649 PolarHBondContact O-N 2.99Å; T646-E649 VanDerWaalsContact O-N 3.15Å; T646-L650 HydrophobicContact CG2-CD1 4.3Å; T646-L650 HydrophobicContact CG2-CG 4.4Å; T646-L650 VanDerWaalsContact O-CG 3.28Å; T646-L650 WeakPolarHBondContact O-CG 3.48Å; T646-L650 PolarHBondContact O-N 2.79Å
647	I	90.1	Very high	80.3	Confident	16 Å²	16	55.8 Å²	55.8	8%	0.082	30%	0.303	C	S	.	.	H	α-helix	trans	-71.6	-32	179.1	-68.5	168	0	0	0	111.9	I436 F438 L447 I509 V643 D644 E645 E649 L650 S651	I436-I647 HydrophobicContact CD1-CD1 3.89Å; F438-I647 HydrophobicContact CB-CG2 4.3Å; F438-I647 HydrophobicContact CD2-CD1 3.45Å; F438-I647 VanDerWaalsContact CD2-CD1 3.45Å; F438-I647 HydrophobicContact CD2-CG2 4.36Å; F438-I647 HydrophobicContact CE1-CD1 4.32Å; F438-I647 HydrophobicContact CE2-CD1 3.2Å; F438-I647 HydrophobicContact CG-CD1 4.12Å; F438-I647 HydrophobicContact CG-CG2 4.13Å; F438-I647 HydrophobicContact CZ-CD1 3.67Å; L447-I647 HydrophobicContact CD1-CD1 3.93Å; L447-I647 HydrophobicContact CD1-CG1 3.97Å; L447-I647 HydrophobicContact CD1-CG2 3.9Å; I509-I647 HydrophobicContact CD1-CD1 4.13Å; I509-I647 HydrophobicContact CD1-CG1 3.99Å; V643-I647 HydrophobicContact CG1-CD1 3.67Å; V643-I647 WeakPolarHBondContact O-CB 3.48Å; V643-I647 WeakPolarHBondContact O-CD1 3.42Å; V643-I647 VanDerWaalsContact O-CG1 3.23Å; V643-I647 WeakPolarHBondContact O-CG1 3.4Å; V643-I647 PolarHBondContact O-N 2.84Å; D644-I647 PolarHBondContact O-N 2.86Å; E645-I647 PolarHBondContact O-N 3.05Å; I647-E649 VanDerWaalsContact C-N 3.31Å; I647-E649 PolarHBondContact O-N 2.74Å; I647-L650 HydrophobicContact CG1-CD1 4.26Å; I647-L650 PolarHBondContact O-N 2.82Å; I647-S651 WeakPolarHBondContact O-CB 3.35Å; I647-S651 PolarHBondContact O-N 2.95Å; I647-S651 PolarHBondContact O-OG 3.32Å
648	A	88.8	Confident	77.1	Confident	41 Å²	41	61.4 Å²	61.4	34%	0.339	34%	0.342	S	S	.	.	H	α-helix	trans	-67	-27.7	168.8	0	0	0	0	0	113.2	D644 E645 S651 K652	D644-A648 PolarHBondContact O-N 3.03Å; E645-A648 CarbonylContact O-C 3.48Å; E645-A648 WeakPolarHBondContact O-CA 3.5Å; E645-A648 WeakPolarHBondContact O-CB 3.47Å; E645-A648 PolarHBondContact O-N 2.87Å; A648-S651 PolarHBondContact O-OG 2.97Å; A648-S651 VanDerWaalsContact O-OG 3.06Å; A648-K652 VanDerWaalsContact O-CD 3.32Å; A648-K652 WeakPolarHBondContact O-CD 3.46Å; A648-K652 VanDerWaalsContact O-CE 3.28Å; A648-K652 WeakPolarHBondContact O-CE 3.5Å; A648-K652 WeakPolarHBondContact O-CG 3.47Å; A648-K652 PolarHBondContact O-N 3.15Å
649	E	87.5	Confident	76.1	Confident	114 Å²	114	62.5 Å²	62.5	53%	0.533	34%	0.343	S	S	.	.	H	α-helix	trans	-78.1	-40	169.7	-63.3	-165.9	151.8	0	0	112.7	E645 T646 I647 S651 K652 T653	E645-E649 PolarHBondContact O-N 3.15Å; T646-E649 PolarHBondContact O-N 2.99Å; T646-E649 VanDerWaalsContact O-N 3.15Å; I647-E649 VanDerWaalsContact C-N 3.31Å; I647-E649 PolarHBondContact O-N 2.74Å; E649-S651 PolarHBondContact O-N 3.03Å; E649-K652 PolarHBondContact O-N 3.06Å; E649-T653 PolarHBondContact O-N 3.49Å; E649-T653 PolarHBondContact O-OG1 3.49Å
650	L	85.9	Confident	75	Confident	2 Å²	2	65.1 Å²	65.1	1%	0.01	36%	0.358	C	S	.	.	H	α-helix	trans	-60.3	-32.3	173.4	-70	175.6	0	0	0	112.1	L447 R491 I493 I509 Q511 T646 I647 T653 R654	L447-L650 HydrophobicContact CD2-CD1 3.6Å; R491-L650 VanDerWaalsContact NE-CD2 3.32Å; R491-L650 PolarHBondContact NH2-O 3.07Å; I493-L650 HydrophobicContact CD1-CD2 3.62Å; I493-L650 HydrophobicContact CD1-CG 4.17Å; I509-L650 HydrophobicContact CG2-CD1 3.83Å; Q511-L650 HydrophobicContact CB-CD2 4.5Å; T646-L650 HydrophobicContact CG2-CD1 4.3Å; T646-L650 HydrophobicContact CG2-CG 4.4Å; T646-L650 VanDerWaalsContact O-CG 3.28Å; T646-L650 WeakPolarHBondContact O-CG 3.48Å; T646-L650 PolarHBondContact O-N 2.79Å; I647-L650 HydrophobicContact CG1-CD1 4.26Å; I647-L650 PolarHBondContact O-N 2.82Å; L650-T653 PolarHBondContact O-OG1 3.5Å; L650-R654 WeakPolarHBondContact O-CG 3.44Å; L650-R654 PolarHBondContact O-NE 2.86Å
651	S	76.4	Confident	73.9	Confident	60 Å²	60	65.9 Å²	65.9	42%	0.42	37%	0.367	S	S	.	.	H	α-helix	trans	-77.8	-46.1	177.4	70.3	0	0	0	0	112.8	I647 A648 E649 T653 R654	I647-S651 WeakPolarHBondContact O-CB 3.35Å; I647-S651 PolarHBondContact O-N 2.95Å; I647-S651 PolarHBondContact O-OG 3.32Å; A648-S651 PolarHBondContact O-OG 2.97Å; A648-S651 VanDerWaalsContact O-OG 3.06Å; E649-S651 PolarHBondContact O-N 3.03Å; S651-T653 PolarHBondContact O-N 3.27Å; S651-R654 WeakPolarHBondContact O-CB 3.34Å; S651-R654 PolarHBondContact O-N 3.1Å
652	K	73.6	Confident	72.6	Confident	122 Å²	122	67.1 Å²	67.1	53%	0.53	37%	0.369	S	S	.	.	H	α-helix	trans	-50.7	-42.4	172.9	-69.7	162.3	-160.2	163.6	0	111.6	A648 E649 R654 S655 F656	A648-K652 VanDerWaalsContact O-CD 3.32Å; A648-K652 WeakPolarHBondContact O-CD 3.46Å; A648-K652 VanDerWaalsContact O-CE 3.28Å; A648-K652 WeakPolarHBondContact O-CE 3.5Å; A648-K652 WeakPolarHBondContact O-CG 3.47Å; A648-K652 PolarHBondContact O-N 3.15Å; E649-K652 PolarHBondContact O-N 3.06Å; K652-R654 PolarHBondContact O-N 2.9Å; K652-S655 PolarHBondContact O-N 2.98Å; K652-S655 PolarHBondContact O-OG 3.48Å; K652-F656 WeakPolarHBondContact O-CD2 3.49Å
653	T	65.3	Low	71.1	Confident	65 Å²	65	68.9 Å²	68.9	40%	0.399	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-4.6	-179.9	45.4	0	0	0	0	114.8	R491 E649 L650 S651	R491-T653 PolarHBondContact NH1-OG1 3.14Å; R491-T653 PolarHBondContact NH2-OG1 3.46Å; E649-T653 PolarHBondContact O-N 3.49Å; E649-T653 PolarHBondContact O-OG1 3.49Å; L650-T653 PolarHBondContact O-OG1 3.5Å; S651-T653 PolarHBondContact O-N 3.27Å
654	R	58.6	Low	69.4	Low	57 Å²	57	73.5 Å²	73.5	22%	0.215	41%	0.409	C	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-38.9	169.6	-62.3	170.7	-161.8	-150.3	-5.6	111.9	D446 L650 S651 K652 F656 A657	D446-R654 IonicContact OD1-CZ 3.72Å; D446-R654 VanDerWaalsContact OD1-CZ 3.25Å; D446-R654 IonicContact OD1-NH1 3.6Å; D446-R654 PolarHBondContact OD1-NH1 2.9Å; D446-R654 IonicContact OD1-NH2 3.52Å; D446-R654 PolarHBondContact OD1-NH2 3.14Å; D446-R654 IonicContact OD2-CZ 2.87Å; D446-R654 VanDerWaalsContact OD2-CZ 3.25Å; D446-R654 IonicContact OD2-NE 2.99Å; D446-R654 IonicContact OD2-NH1 2.64Å; D446-R654 PolarHBondContact OD2-NH1 3.1Å; D446-R654 IonicContact OD2-NH2 3.89Å; D446-R654 PolarHBondContact OD2-NH2 2.78Å; L650-R654 WeakPolarHBondContact O-CG 3.44Å; L650-R654 PolarHBondContact O-NE 2.86Å; S651-R654 WeakPolarHBondContact O-CB 3.34Å; S651-R654 PolarHBondContact O-N 3.1Å; K652-R654 PolarHBondContact O-N 2.9Å; R654-F656 PolarHBondContact O-N 3.4Å; R654-A657 PolarHBondContact O-N 3.29Å
655	S	37.3	Very low	67.6	Low	58 Å²	58	74.9 Å²	74.9	41%	0.406	42%	0.418	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	1.3	-176	60.1	0	0	0	0	115.1	K652	K652-S655 PolarHBondContact O-N 2.98Å; K652-S655 PolarHBondContact O-OG 3.48Å
656	F	32.5	Very low	65.5	Low	178 Å²	178	70.5 Å²	70.5	78%	0.781	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-112.8	2.5	174.3	-71	-78.6	0	0	0	113.2	K652 R654	K652-F656 WeakPolarHBondContact O-CD2 3.49Å; R654-F656 PolarHBondContact O-N 3.4Å
657	A	33.8	Very low	63.2	Low	78 Å²	78	75.7 Å²	75.7	65%	0.645	43%	0.431	S	S	*	.			trans	-105.2	31.1	-173.7	0	0	0	0	0	112.8	R654	R654-A657 PolarHBondContact O-N 3.29Å
658	S	28.2	Very low	60.7	Low	117 Å²	117	81.1 Å²	81.1	82%	0.818	46%	0.463	S	S	*	.			trans	-160.3	0	-162.1	55.1	0	0	0	0	111.8	F319	F319-S658 VanDerWaalsContact CE2-OG 3.29Å; F319-S658 WeakPolarHBondContact CE2-OG 3.36Å; F319-S658 VanDerWaalsContact CZ-OG 3.23Å; F319-S658 WeakPolarHBondContact CZ-OG 3.43Å

Retrieved 658 of 658 residues in 617.2 ms (Link to these results)

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