A0A087Y1V5_POEFO Loading...

WAP, follistatin/kazal, immunoglobulin, kunitz and netrin domain containing 2

AlphaFold DB , UniProt , Accession A0A087Y1V5, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 580 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	P	32.8	Very low	31.7	Very low	172 Å²	172	158.9 Å²	158.9	100%	1.117	79%	0.788	S	S	*	*				0	113.3	0	8.9	14.5	0	0	0	109.4
2	V	30.6	Very low	33.1	Very low	134 Å²	134	154.7 Å²	154.7	81%	0.812	78%	0.781	S	S	*	*			cis	61.9	118.4	48.2	-172.8	0	0	0	0	110.6
3	S	29.5	Very low	33.5	Very low	89 Å²	89	157.4 Å²	157.4	62%	0.622	78%	0.776	S	S	*	*			cis	-166.4	164.2	-11	-107.4	0	0	0	0	111.1
4	I	35.5	Very low	33.6	Very low	138 Å²	138	160 Å²	160	71%	0.708	77%	0.773	S	S	*	*			trans	34.1	129.3	135.4	-54.7	160.9	0	0	0	118.9
5	E	32.3	Very low	34	Very low	161 Å²	161	157.1 Å²	157.1	75%	0.752	76%	0.761	S	S	*	*				-161.3	153.6	121.2	-106.6	-48.8	128	0	0	112.6
6	M	33.4	Very low	34.2	Very low	140 Å²	140	159.6 Å²	159.6	69%	0.69	76%	0.76	S	S	*	*			trans	-167	110.6	-169.3	170.6	-163.3	70.8	0	0	111.7
7	W	29.8	Very low	34.3	Very low	243 Å²	243	158.6 Å²	158.6	92%	0.92	75%	0.752	S	S	*	*			trans	-135.8	138.5	160.8	-89.1	7.2	0	0	0	108.6
8	W	29.4	Very low	34.3	Very low	186 Å²	186	157.2 Å²	157.2	71%	0.705	76%	0.755	S	S	*	*			cis	91.8	98.4	43.1	-85.7	77.5	0	0	0	115.7
9	M	32.7	Very low	34.4	Very low	135 Å²	135	157.6 Å²	157.6	67%	0.665	76%	0.761	S	S	*	*			trans	36.6	143.3	142.4	-51.1	-169.5	-169.8	0	0	122.4
10	L	32.4	Very low	34.2	Very low	166 Å²	166	153.7 Å²	153.7	87%	0.869	76%	0.763	S	S	*	*				-171.3	170.3	106.6	-99.6	169.3	0	0	0	116.1
11	F	30.2	Very low	34	Very low	184 Å²	184	155.1 Å²	155.1	81%	0.807	77%	0.768	S	S	*	*			trans	-88.3	172.7	-169.9	-99.3	-79.7	0	0	0	113.9
12	P	48.6	Very low	33.8	Very low	108 Å²	108	152.4 Å²	152.4	70%	0.701	75%	0.753	S	S	*	*				-164.4	147.5	67.4	41.2	-16.7	0	0	0	123.7
13	R	38.2	Very low	33.8	Very low	190 Å²	190	156.6 Å²	156.6	72%	0.717	75%	0.754	S	S	*	*			trans	66.2	174.4	140.3	-67.5	179.2	-179.2	-169.2	5.2	117.7
14	W	34.4	Very low	33.9	Very low	194 Å²	194	157.9 Å²	157.9	74%	0.735	76%	0.759	S	S	*	*			cis	-165.6	175.1	-8.2	-118.6	-6.4	0	0	0	109.8
15	I	40.8	Very low	33.6	Very low	117 Å²	117	156.8 Å²	156.8	60%	0.6	76%	0.758	S	S	*	*			cis	-159.3	163.5	-2.8	-142.7	172.3	0	0	0	113
16	W	36.5	Very low	33.5	Very low	197 Å²	197	156.6 Å²	156.6	75%	0.746	76%	0.761	S	S	*	*			trans	8.2	160	147.3	-77.6	46.5	0	0	0	124.7
17	F	36.8	Very low	33.2	Very low	142 Å²	142	156.7 Å²	156.7	62%	0.623	76%	0.764	S	S	*	*			cis	-169.8	-179.4	-7.6	-135.1	-128.8	0	0	0	113
18	V	33.2	Very low	33.1	Very low	133 Å²	133	152.8 Å²	152.8	81%	0.806	76%	0.755	S	S	*	*			trans	141.6	146.9	141.7	170.1	0	0	0	0	114.9
19	L	36.8	Very low	33.2	Very low	166 Å²	166	150 Å²	150	87%	0.869	76%	0.76	S	S	*	*			trans	-135.1	167.5	-174	-80.3	164.6	0	0	0	112.8
20	G	29.3	Very low	33.1	Very low	78 Å²	78	151.6 Å²	151.6	80%	0.804	77%	0.771	S	S	*	*			trans	-163	144.7	169.4	0	0	0	0	0	114.4
21	H	31.9	Very low	32.8	Very low	185 Å²	185	149.7 Å²	149.7	86%	0.856	77%	0.77	S	S	*	*			trans	-122.4	160.8	-171.8	-92.8	-69.3	0	0	0	113.6
22	S	28.5	Very low	32.7	Very low	114 Å²	114	152.1 Å²	152.1	80%	0.797	77%	0.774	S	S	*	*			trans	-162	169.4	139.8	-156.7	0	0	0	0	114.4
23	W	29.8	Very low	31.7	Very low	222 Å²	222	153.7 Å²	153.7	84%	0.841	78%	0.781	S	S	*	*			trans	-151.4	159.7	-169.2	-89	2.5	0	0	0	111.2
24	T	30.8	Very low	31.3	Very low	117 Å²	117	150.5 Å²	150.5	72%	0.718	78%	0.782	S	S	*	*			cis	-134.6	-109	-10	7.8	0	0	0	0	112.2
25	V	29.3	Very low	31	Very low	115 Å²	115	145.4 Å²	145.4	70%	0.697	78%	0.782	S	S	*	*			cis	-159.1	154.3	1.1	162.6	0	0	0	0	108.6
26	L	29.8	Very low	30.3	Very low	156 Å²	156	148.5 Å²	148.5	82%	0.817	80%	0.796	S	S	*	*			trans	86.2	140.9	160.1	-91.4	164	0	0	0	123.3
27	L	28	Very low	30.2	Very low	143 Å²	143	145 Å²	145	75%	0.749	80%	0.799	S	S	*	*			trans	-68.2	175.1	-179.8	-64.6	141.6	0	0	0	112.6
28	H	28.7	Very low	29.8	Very low	160 Å²	160	146.8 Å²	146.8	74%	0.741	81%	0.811	S	S	*	*			cis	-172.1	-178.3	38	-152.5	28.2	0	0	0	114.1
29	T	29.8	Very low	29.7	Very low	129 Å²	129	149.9 Å²	149.9	79%	0.791	82%	0.819	S	S	*	*			trans	78	153	170.7	71.4	0	0	0	0	119.4
30	N	30.5	Very low	29.5	Very low	168 Å²	168	147.3 Å²	147.3	90%	0.898	82%	0.815	S	S	*	*			trans	-99.8	138.5	-165.1	-63.5	-42.6	0	0	0	113.6
31	C	27.4	Very low	29.8	Very low	126 Å²	126	148.2 Å²	148.2	85%	0.851	82%	0.815	S	S	*	*			trans	-156	167.2	134.7	-145.3	0	0	0	0	111.8	V33	C31-V33 PolarHBondContact O-N 3.29Å
32	R	27.5	Very low	29.9	Very low	235 Å²	235	144 Å²	144	89%	0.887	81%	0.812	S	S	*	*			trans	-63.3	122.8	-173.4	-70.3	173.3	171.3	163.9	-4.9	112.4
33	V	28.4	Very low	30.2	Very low	140 Å²	140	147.7 Å²	147.7	85%	0.848	81%	0.814	S	S	*	*			trans	-97.6	100	158	180	0	0	0	0	108.4	C31 A35	C31-V33 PolarHBondContact O-N 3.29Å; V33-A35 PolarHBondContact O-N 3.34Å
34	T	29.6	Very low	30.6	Very low	123 Å²	123	142.7 Å²	142.7	76%	0.755	81%	0.807	S	S	*	*			trans	-69.4	110.5	158.8	43	0	0	0	0	107.7	M36	T34-M36 PolarHBondContact O-N 2.03Å; T34-M36 VanDerWaalsContact O-N 3.13Å
35	A	26.9	Very low	31.2	Very low	88 Å²	88	141.6 Å²	141.6	73%	0.727	80%	0.801	S	S	*	*			trans	-62.8	115.4	177.1	0	0	0	0	0	110	V33 P37	V33-A35 PolarHBondContact O-N 3.34Å; A35-P37 WeakPolarHBondContact O-CD 3.42Å
36	M	27.9	Very low	32.3	Very low	181 Å²	181	144.7 Å²	144.7	89%	0.892	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-65.9	124.7	162.6	-69.8	178.8	172.2	0	0	107.8	T34	T34-M36 PolarHBondContact O-N 2.03Å; T34-M36 VanDerWaalsContact O-N 3.13Å
37	P	33.8	Very low	33.7	Very low	124 Å²	124	141 Å²	141	81%	0.805	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-60.9	155.7	172.2	-22.6	34.8	0	0	0	111.3	A35	A35-P37 WeakPolarHBondContact O-CD 3.42Å
38	M	28.2	Very low	35.4	Very low	180 Å²	180	136.2 Å²	136.2	89%	0.887	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-54.6	153.7	176	-68.7	175	165.7	0	0	112	S40	M38-S40 PolarHBondContact O-N 3.43Å
39	M	31.1	Very low	36.8	Very low	197 Å²	197	131.4 Å²	131.4	97%	0.97	75%	0.75	S	S	*	*			trans	-54.1	106.4	162.3	-76.4	179	161.2	0	0	109.5
40	S	33.3	Very low	38.6	Very low	113 Å²	113	126.5 Å²	126.5	79%	0.79	73%	0.725	S	S	*	*			trans	-66.8	139.3	164.8	43.2	0	0	0	0	108.9	M38 A42	M38-S40 PolarHBondContact O-N 3.43Å; S40-A42 PolarHBondContact O-N 3.3Å
41	A	33.6	Very low	40.5	Very low	97 Å²	97	121.8 Å²	121.8	80%	0.802	70%	0.7	S	S	*	*			trans	-58.5	128.6	177	0	0	0	0	0	109.7	K43	A41-K43 PolarHBondContact O-N 3.08Å; A41-K43 VanDerWaalsContact O-N 3.08Å
42	A	34.3	Very low	42.7	Very low	96 Å²	96	116.2 Å²	116.2	79%	0.793	66%	0.662	S	S	*	*			trans	-60.8	115.4	178	0	0	0	0	0	109.4	S40 V44	S40-A42 PolarHBondContact O-N 3.3Å; A42-V44 PolarHBondContact O-N 3.18Å; A42-V44 VanDerWaalsContact O-N 3.15Å
43	K	35.9	Very low	44.6	Very low	192 Å²	192	105.3 Å²	105.3	84%	0.835	62%	0.622	S	S	*	*			trans	-57.1	120.3	168.1	-86.1	-171.5	171.9	-172.8	0	107.9	A41 V45	A41-K43 PolarHBondContact O-N 3.08Å; A41-K43 VanDerWaalsContact O-N 3.08Å; K43-V45 VanDerWaalsContact C-N 3.32Å; K43-V45 HydrophobicContact CB-CG2 4.49Å; K43-V45 PolarHBondContact O-N 2.68Å
44	V	38.5	Very low	46.3	Very low	116 Å²	116	99.9 Å²	99.9	70%	0.703	59%	0.588	S	S	*	*			trans	-70.8	94.9	166.5	179.4	0	0	0	0	107	A42 Y46	A42-V44 PolarHBondContact O-N 3.18Å; A42-V44 VanDerWaalsContact O-N 3.15Å; V44-Y46 HydrophobicContact CG1-CD2 4.09Å; V44-Y46 HydrophobicContact CG1-CE2 3.95Å; V44-Y46 PolarHBondContact O-N 3.36Å; V44-Y46 VanDerWaalsContact O-N 3.12Å
45	V	42.8	Very low	48.1	Very low	95 Å²	95	98.8 Å²	98.8	58%	0.576	58%	0.577	S	S	*	*			trans	-74.4	99.9	173.3	-177.8	0	0	0	0	107.5	K43 S47	K43-V45 VanDerWaalsContact C-N 3.32Å; K43-V45 HydrophobicContact CB-CG2 4.49Å; K43-V45 PolarHBondContact O-N 2.68Å; V45-S47 PolarHBondContact O-N 2.88Å
46	Y	52.1	Low	49.8	Very low	179 Å²	179	97.7 Å²	97.7	70%	0.702	56%	0.559	S	S	*	*			trans	-62.7	123.2	165.7	-83.3	-97.3	0	0	0	108.9	V44 Q76	V44-Y46 HydrophobicContact CG1-CD2 4.09Å; V44-Y46 HydrophobicContact CG1-CE2 3.95Å; V44-Y46 PolarHBondContact O-N 3.36Å; V44-Y46 VanDerWaalsContact O-N 3.12Å; Y46-Q76 WeakPolarHBondContact O-CG 3.03Å; Y46-Q76 PolarHBondContact O-NE2 2.82Å
47	S	58.9	Low	51.2	Low	79 Å²	79	92 Å²	92	55%	0.552	53%	0.532	S	S	*	.			trans	-105.3	145.2	171.2	52.8	0	0	0	0	109.8	V45 D75	V45-S47 PolarHBondContact O-N 2.88Å; S47-D75 VanDerWaalsContact CB-OD2 3.28Å; S47-D75 WeakPolarHBondContact CB-OD2 2.99Å
48	H	63.4	Low	52.4	Low	42 Å²	42	90.5 Å²	90.5	19%	0.194	52%	0.523	C	S	.	.			trans	-73.3	153	178.4	-62.5	154.6	0	0	0	111.4	D75 C78 E79 E82 K83	H48-D75 PolarHBondContact CE1-O 2.89Å; H48-D75 PolarHBondContact N-OD2 3.33Å; H48-D75 PolarHBondContact ND1-O 3.21Å; H48-C78 PolarHBondContact CE1-O 2.96Å; H48-E79 PolarHBondContact CE1-O 3.29Å; H48-E79 PolarHBondContact ND1-O 2.99Å; H48-E82 WeakPolarHBondContact CB-O 3.37Å; H48-E82 PolarHBondContact ND1-O 2.81Å; H48-E82 VanDerWaalsContact ND1-O 3.13Å; H48-K83 HydrophobicContact CB-CG 4.32Å; H48-K83 PolarHBondContact O-NZ 2.82Å
49	A	59.5	Low	53.5	Low	60 Å²	60	88.4 Å²	88.4	50%	0.496	52%	0.515	S	S	.	.	S	Bend	trans	-71.1	151.8	-174.7	0	0	0	0	0	112	A97 Y99	A49-A97 VanDerWaalsContact O-CB 3.28Å; A49-A97 WeakPolarHBondContact O-CB 3.41Å; A49-Y99 HydrophobicContact CB-CE1 3.72Å; A49-Y99 PolarHBondContact O-OH 2.68Å
50	G	66.6	Low	54.6	Low	26 Å²	26	83.1 Å²	83.1	27%	0.268	49%	0.49	S	S	.	.	S	Bend	trans	93	-166.1	-177.9	0	0	0	0	0	114.8	K83 R98	G50-K83 VanDerWaalsContact C-CD 3.45Å; G50-K83 WeakPolarHBondContact O-CD 3.46Å; G50-K83 VanDerWaalsContact O-CE 3.23Å; G50-K83 WeakPolarHBondContact O-CE 3.41Å; G50-R98 CarbonylContact C-O 3.58Å; G50-R98 WeakPolarHBondContact CA-O 3.48Å
51	L	71.6	Confident	55.6	Low	68 Å²	68	83.6 Å²	83.6	36%	0.356	48%	0.475	S	S	.	.	B	Isolated β-bridge	trans	-135.7	162.4	-169.8	-63	172.5	0	0	0	111.2	L56 R98 I100	L51-L56 HydrophobicContact CB-CD1 3.93Å; L51-L56 HydrophobicContact CD1-CD1 4.27Å; L51-R98 PolarHBondContact N-O 2.81Å; L51-R98 PolarHBondContact O-N 3.06Å; L51-I100 HydrophobicContact CD1-CD1 3.49Å; L51-I100 VanDerWaalsContact CD1-CD1 3.49Å; L51-I100 HydrophobicContact CD1-CG1 4.04Å
52	C	73.3	Confident	56.4	Low	9 Å²	9	81.8 Å²	81.8	6%	0.061	45%	0.454	C	S	.	.			trans	-75.9	148.3	174.6	-65.3	0	0	0	0	111.4	N54 D55 L56 C85	C52-N54 PolarHBondContact O-N 3.41Å; C52-D55 VanDerWaalsContact CB-OD2 3.28Å; C52-D55 WeakPolarHBondContact CB-OD2 3.33Å; C52-D55 PolarHBondContact N-OD2 2.93Å; C52-D55 WeakPolarHBondContact O-CB 3.33Å; C52-D55 PolarHBondContact O-N 3.23Å; C52-L56 WeakPolarHBondContact O-CD1 3.27Å; C52-C85 VanDerWaalsContact CA-SG 3.53Å; C52-C85 HydrophobicContact CB-CB 3.72Å; C52-C85 WeakPolarHBondContact CB-SG 3.33Å; C52-C85 WeakPolarHBondContact SG-CA 3.45Å; C52-C85 WeakPolarHBondContact SG-CB 3.38Å; C52-C85 CovalentContact SG-SG 2.03Å; C52-C85 PolarHBondContact SG-SG 2.9Å
53	P	67.3	Low	56.8	Low	6 Å²	6	82 Å²	82	4%	0.039	44%	0.441	C	S	.	.	H	α-helix	trans	-55	-38.1	176	-27.7	36	0	0	0	113.6	D55 L56 N57 L60 V95 R98	P53-D55 VanDerWaalsContact C-N 3.26Å; P53-D55 PolarHBondContact O-N 3.33Å; P53-L56 PolarHBondContact O-N 3.39Å; P53-N57 PolarHBondContact O-N 2.74Å; P53-L60 HydrophobicContact CB-CD2 4.35Å; P53-V95 HydrophobicContact CG-CG1 3.77Å; P53-R98 HydrophobicContact CG-CG 4.16Å
54	N	63.5	Low	57.1	Low	26 Å²	26	75.7 Å²	75.7	14%	0.139	43%	0.425	C	S	.	.	H	α-helix	trans	-64.1	-27.5	177.4	-66.6	-19.2	0	0	0	113.1	C52 L56 N57 L60 W61 P86	C52-N54 PolarHBondContact O-N 3.41Å; N54-L56 VanDerWaalsContact C-N 3.35Å; N54-N57 CarbonylContact O-C 3.18Å; N54-N57 VanDerWaalsContact O-C 3.23Å; N54-N57 PolarHBondContact O-N 3.35Å; N54-L60 PolarHBondContact OD1-O 3.14Å; N54-W61 WeakPolarHBondContact ND2-CZ3 3.02Å; N54-P86 PolarHBondContact ND2-O 2.91Å
55	D	67.6	Low	57.2	Low	100 Å²	100	78 Å²	78	54%	0.535	43%	0.43	S	S	.	.	H	α-helix	trans	-72.7	-29.3	177.2	-52	-26	0	0	0	111.7	C52 P53	C52-D55 VanDerWaalsContact CB-OD2 3.28Å; C52-D55 WeakPolarHBondContact CB-OD2 3.33Å; C52-D55 PolarHBondContact N-OD2 2.93Å; C52-D55 WeakPolarHBondContact O-CB 3.33Å; C52-D55 PolarHBondContact O-N 3.23Å; P53-D55 VanDerWaalsContact C-N 3.26Å; P53-D55 PolarHBondContact O-N 3.33Å
56	L	63.1	Low	57.5	Low	66 Å²	66	76.2 Å²	76.2	35%	0.346	42%	0.422	S	S	.	.	H	α-helix	trans	-81	-29.7	175.2	-80.4	87.9	0	0	0	112.7	L51 C52 P53 N54 R98 I100	L51-L56 HydrophobicContact CB-CD1 3.93Å; L51-L56 HydrophobicContact CD1-CD1 4.27Å; C52-L56 WeakPolarHBondContact O-CD1 3.27Å; P53-L56 PolarHBondContact O-N 3.39Å; N54-L56 VanDerWaalsContact C-N 3.35Å; L56-R98 HydrophobicContact CD1-CB 3.78Å; L56-R98 HydrophobicContact CD1-CG 4.49Å; L56-R98 HydrophobicContact CD2-CB 4.42Å; L56-I100 HydrophobicContact CD2-CD1 4.41Å; L56-I100 HydrophobicContact CD2-CG1 4.32Å; L56-I100 HydrophobicContact CG-CD1 4.29Å
57	N	56.1	Low	57.7	Low	62 Å²	62	68.4 Å²	68.4	33%	0.332	39%	0.393	S	S	.	.			trans	-162.2	118.3	177.2	172.7	11.8	0	0	0	110	P53 N54 N59 L60	P53-N57 PolarHBondContact O-N 2.74Å; N54-N57 CarbonylContact O-C 3.18Å; N54-N57 VanDerWaalsContact O-C 3.23Å; N54-N57 PolarHBondContact O-N 3.35Å; N57-N59 PolarHBondContact O-N 2.96Å; N57-N59 PolarHBondContact OD1-N 3.01Å; N57-N59 VanDerWaalsContact OD1-N 3.1Å; N57-L60 HydrophobicContact CB-CB 3.87Å; N57-L60 WeakPolarHBondContact O-CB 3.49Å; N57-L60 PolarHBondContact O-N 2.78Å
58	P	59.6	Low	57.8	Low	92 Å²	92	66.1 Å²	66.1	60%	0.597	38%	0.377	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.2	-4.5	-176.7	29	-36.9	0	0	0	114.7	W61	P58-W61 PolarHBondContact O-NE1 3.21Å
59	N	51.1	Low	57.7	Low	135 Å²	135	72 Å²	72	72%	0.722	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-99.3	-1.6	172.2	-63.1	-25.2	0	0	0	113.1	N57 W61	N57-N59 PolarHBondContact O-N 2.96Å; N57-N59 PolarHBondContact OD1-N 3.01Å; N57-N59 VanDerWaalsContact OD1-N 3.1Å; N59-W61 VanDerWaalsContact C-N 3.32Å; N59-W61 PolarHBondContact O-N 2.81Å
60	L	53.6	Low	58.2	Low	87 Å²	87	75.2 Å²	75.2	46%	0.455	41%	0.405	S	S	.	.			trans	-93.7	54	-171.1	-163.6	71.3	0	0	0	112.8	P53 N54 N57	P53-L60 HydrophobicContact CB-CD2 4.35Å; N54-L60 PolarHBondContact OD1-O 3.14Å; N57-L60 HydrophobicContact CB-CB 3.87Å; N57-L60 WeakPolarHBondContact O-CB 3.49Å; N57-L60 PolarHBondContact O-N 2.78Å
61	W	55	Low	58.7	Low	123 Å²	123	79.7 Å²	79.7	47%	0.466	42%	0.419	S	S	.	.	P	Polyproline II helix	trans	-71.3	133.1	176.9	-57.1	88.7	0	0	0	110.7	N54 P58 N59 V88	N54-W61 WeakPolarHBondContact ND2-CZ3 3.02Å; P58-W61 PolarHBondContact O-NE1 3.21Å; N59-W61 VanDerWaalsContact C-N 3.32Å; N59-W61 PolarHBondContact O-N 2.81Å; W61-V88 HydrophobicContact CB-CG1 4.28Å; W61-V88 HydrophobicContact CD2-CG1 3.52Å; W61-V88 HydrophobicContact CE3-CB 4.4Å; W61-V88 HydrophobicContact CE3-CG1 3.27Å; W61-V88 HydrophobicContact CG-CG1 3.96Å; W61-V88 HydrophobicContact CH2-CG1 4.46Å; W61-V88 HydrophobicContact CZ3-CG1 3.79Å
62	V	51.3	Low	59.2	Low	59 Å²	59	77.2 Å²	77.2	36%	0.358	41%	0.407	S	S	.	.	P	Polyproline II helix	trans	-71.5	153.4	162.1	-174.3	0	0	0	0	107.8	A64 T67 V95	V62-A64 PolarHBondContact O-N 2.82Å; V62-T67 HydrophobicContact CB-CG2 3.79Å; V62-T67 HydrophobicContact CG1-CG2 4.17Å; V62-V95 HydrophobicContact CG2-CG1 4.05Å
63	D	42.6	Very low	59.5	Low	100 Å²	100	85 Å²	85	54%	0.535	44%	0.443	S	S	.	.	P	Polyproline II helix	trans	-56.3	137	-165.8	65.2	-54	0	0	0	113.6	M65 S66 T67	D63-M65 PolarHBondContact O-N 2.04Å; D63-M65 VanDerWaalsContact O-N 3.1Å; D63-S66 VanDerWaalsContact CG-OG 3.27Å; D63-S66 PolarHBondContact O-N 2.77Å; D63-S66 VanDerWaalsContact O-N 3.15Å; D63-S66 PolarHBondContact O-OG 3.43Å; D63-S66 VanDerWaalsContact O-OG 3.07Å; D63-S66 WeakPolarHBondContact OD1-CB 3.45Å; D63-S66 PolarHBondContact OD1-OG 3.35Å; D63-T67 PolarHBondContact O-N 3.03Å; D63-T67 PolarHBondContact O-OG1 2.9Å
64	A	40.7	Very low	60.2	Low	60 Å²	60	86.5 Å²	86.5	50%	0.496	45%	0.453	S	S	.	.	H	α-helix	trans	-64.7	-20.8	-166.3	0	0	0	0	0	114.3	V62 V88	V62-A64 PolarHBondContact O-N 2.82Å; A64-V88 HydrophobicContact CB-CG2 3.73Å
65	M	41.3	Very low	60.7	Low	165 Å²	165	86.4 Å²	86.4	81%	0.813	45%	0.453	S	S	*	.	H	α-helix	trans	-85.2	-28.7	178.2	-69.5	-176.4	67.7	0	0	113.1	D63	D63-M65 PolarHBondContact O-N 2.04Å; D63-M65 VanDerWaalsContact O-N 3.1Å
66	S	48.7	Very low	61.1	Low	56 Å²	56	86.8 Å²	86.8	39%	0.392	45%	0.452	S	S	.	.	H	α-helix	trans	-80.8	-40.1	177.6	71.4	0	0	0	0	111.9	D63	D63-S66 VanDerWaalsContact CG-OG 3.27Å; D63-S66 PolarHBondContact O-N 2.77Å; D63-S66 VanDerWaalsContact O-N 3.15Å; D63-S66 PolarHBondContact O-OG 3.43Å; D63-S66 VanDerWaalsContact O-OG 3.07Å; D63-S66 WeakPolarHBondContact OD1-CB 3.45Å; D63-S66 PolarHBondContact OD1-OG 3.35Å
67	T	56.3	Low	61.7	Low	15 Å²	15	88 Å²	88	9%	0.092	46%	0.458	C	S	.	.	H	α-helix	trans	-69.6	-41.4	-170.7	39.4	0	0	0	0	113.6	V62 D63 M69 S93 V95	V62-T67 HydrophobicContact CB-CG2 3.79Å; V62-T67 HydrophobicContact CG1-CG2 4.17Å; D63-T67 PolarHBondContact O-N 3.03Å; D63-T67 PolarHBondContact O-OG1 2.9Å; T67-M69 PolarHBondContact O-N 3.42Å; T67-M69 VanDerWaalsContact O-N 3.12Å; T67-S93 WeakPolarHBondContact O-CB 3.4Å; T67-S93 PolarHBondContact O-OG 3.04Å; T67-V95 HydrophobicContact CG2-CG2 4.32Å
68	C	62.3	Low	62.6	Low	32 Å²	32	85.7 Å²	85.7	22%	0.216	45%	0.447	C	S	.	.	T	Hydrogen-bonded Turn	trans	-80.7	13	-173	-54.6	0	0	0	0	115.3	C89	C68-C89 HydrophobicContact CB-CB 3.96Å; C68-C89 WeakPolarHBondContact CB-SG 3.08Å; C68-C89 WeakPolarHBondContact SG-CB 3.28Å; C68-C89 CovalentContact SG-SG 2.04Å; C68-C89 PolarHBondContact SG-SG 3.32Å
69	M	59.8	Low	63.2	Low	164 Å²	164	86 Å²	86	81%	0.808	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-106.3	-11.6	178.5	-64	-168.3	72	0	0	115.3	T67	T67-M69 PolarHBondContact O-N 3.42Å; T67-M69 VanDerWaalsContact O-N 3.12Å
70	R	71.4	Confident	64	Low	128 Å²	128	83.8 Å²	83.8	48%	0.483	43%	0.433	S	S	.	.	S	Bend	trans	-120.9	69.3	179.1	-80.7	175.4	60	89.3	-9.6	110.5	E82 S93 C94	R70-E82 IonicContact NH2-OE1 2.68Å; R70-E82 IonicContact NH2-OE2 3.28Å; R70-E82 PolarHBondContact NH2-OE2 3.3Å; R70-S93 CarbonylContact O-C 3.57Å; R70-S93 WeakPolarHBondContact O-CA 3.44Å; R70-S93 WeakPolarHBondContact O-CB 3.44Å; R70-C94 PolarHBondContact O-N 3.14Å
71	E	76.7	Confident	64.4	Low	120 Å²	120	85.3 Å²	85.3	56%	0.561	44%	0.436	S	S	*	.	B	Isolated β-bridge	trans	-66.9	151.3	179.7	-56.2	-164.4	139.6	0	0	112.6	N91 K92	E71-N91 PolarHBondContact OE1-ND2 2.6Å; E71-K92 VanDerWaalsContact CA-O 3.29Å; E71-K92 WeakPolarHBondContact CA-O 3.04Å
72	C	80.8	Confident	65.4	Low	16 Å²	16	80.7 Å²	80.7	11%	0.108	42%	0.42	C	S	.	.			trans	-149.3	155.7	-179.4	59.3	0	0	0	0	111.1	D77 C84 K92 S93	C72-D77 HydrophobicContact CB-CB 3.97Å; C72-C84 HydrophobicContact CB-CB 3.97Å; C72-C84 WeakPolarHBondContact CB-SG 2.95Å; C72-C84 PolarHBondContact O-SG 3.41Å; C72-C84 VanDerWaalsContact O-SG 3.37Å; C72-C84 WeakPolarHBondContact SG-CA 2.97Å; C72-C84 WeakPolarHBondContact SG-CB 3.02Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 2.88Å; C72-K92 PolarHBondContact N-O 2.79Å; C72-S93 VanDerWaalsContact SG-CA 3.51Å
73	E	80	Confident	66.7	Low	172 Å²	172	79.1 Å²	79.1	80%	0.804	41%	0.408	S	S	*	.	S	Bend	trans	-100.3	-33	169.9	-63.9	-164.2	157.6	0	0	111.3	D77 K92	E73-D77 PolarHBondContact N-OD2 3.48Å; E73-D77 VanDerWaalsContact N-OD2 3.09Å; E73-K92 PolarHBondContact O-NZ 3.24Å
74	S	81.6	Confident	68.6	Low	38 Å²	38	74.9 Å²	74.9	27%	0.266	39%	0.387	S	S	.	.	S	Bend	trans	-139.1	163.6	-172.3	76.8	0	0	0	0	112.7	Q76 D77 C84	S74-Q76 PolarHBondContact O-N 2.93Å; S74-Q76 PolarHBondContact OG-N 2.88Å; S74-D77 WeakPolarHBondContact CA-OD2 3.05Å; S74-D77 PolarHBondContact N-OD2 3.22Å; S74-D77 PolarHBondContact O-N 2.83Å; S74-D77 VanDerWaalsContact O-OD2 3.12Å; S74-D77 PolarHBondContact OG-OD2 3.19Å; S74-C84 VanDerWaalsContact O-CB 3.28Å; S74-C84 WeakPolarHBondContact O-CB 3.16Å
75	D	74	Confident	70.5	Confident	25 Å²	25	72.1 Å²	72.1	13%	0.134	36%	0.364	C	S	.	.	G	3₁₀ helix	trans	-60.2	-22.7	173.1	-76.4	-9.1	0	0	0	112.9	S47 H48 D77 C78 K83 C84	S47-D75 VanDerWaalsContact CB-OD2 3.28Å; S47-D75 WeakPolarHBondContact CB-OD2 2.99Å; H48-D75 PolarHBondContact CE1-O 2.89Å; H48-D75 PolarHBondContact N-OD2 3.33Å; H48-D75 PolarHBondContact ND1-O 3.21Å; D75-D77 PolarHBondContact O-N 3.43Å; D75-C78 PolarHBondContact O-N 2.99Å; D75-K83 WeakPolarHBondContact OD1-CA 3.4Å; D75-K83 IonicContact OD1-NZ 2.73Å; D75-K83 IonicContact OD2-NZ 2.72Å; D75-K83 PolarHBondContact OD2-NZ 3.23Å; D75-C84 PolarHBondContact OD1-N 3.2Å
76	Q	77	Confident	72.3	Confident	107 Å²	107	67.6 Å²	67.6	50%	0.5	35%	0.347	S	S	.	.	G	3₁₀ helix	trans	-75.8	-11.3	-177.4	-56.7	-168.9	-14.5	0	0	113.3	Y46 S74 C78	Y46-Q76 WeakPolarHBondContact O-CG 3.03Å; Y46-Q76 PolarHBondContact O-NE2 2.82Å; S74-Q76 PolarHBondContact O-N 2.93Å; S74-Q76 PolarHBondContact OG-N 2.88Å; Q76-C78 VanDerWaalsContact C-N 3.27Å
77	D	76.6	Confident	73.3	Confident	92 Å²	92	65.5 Å²	65.5	49%	0.492	33%	0.331	S	S	.	.	G	3₁₀ helix	trans	-87.2	-0.9	175.6	-46.6	-52.9	0	0	0	111.9	C72 E73 S74 D75	C72-D77 HydrophobicContact CB-CB 3.97Å; E73-D77 PolarHBondContact N-OD2 3.48Å; E73-D77 VanDerWaalsContact N-OD2 3.09Å; S74-D77 WeakPolarHBondContact CA-OD2 3.05Å; S74-D77 PolarHBondContact N-OD2 3.22Å; S74-D77 PolarHBondContact O-N 2.83Å; S74-D77 VanDerWaalsContact O-OD2 3.12Å; S74-D77 PolarHBondContact OG-OD2 3.19Å; D75-D77 PolarHBondContact O-N 3.43Å
78	C	73.3	Confident	73.9	Confident	14 Å²	14	68.1 Å²	68.1	10%	0.095	35%	0.347	C	S	.	.	S	Bend	trans	-118.7	169.3	-174.6	-54.4	0	0	0	0	111.9	H48 D75 Q76 E82 C94	H48-C78 PolarHBondContact CE1-O 2.96Å; D75-C78 PolarHBondContact O-N 2.99Å; Q76-C78 VanDerWaalsContact C-N 3.27Å; C78-E82 HydrophobicContact CB-CB 3.8Å; C78-C94 WeakPolarHBondContact CA-SG 3.38Å; C78-C94 HydrophobicContact CB-CB 3.65Å; C78-C94 WeakPolarHBondContact CB-SG 3.49Å; C78-C94 WeakPolarHBondContact SG-CA 3.26Å; C78-C94 WeakPolarHBondContact SG-CB 3.43Å; C78-C94 CovalentContact SG-SG 2.04Å; C78-C94 PolarHBondContact SG-SG 2.74Å
79	E	73.7	Confident	74.1	Confident	99 Å²	99	70.4 Å²	70.4	46%	0.463	36%	0.363	S	S	.	.			trans	-68.2	157.4	174.7	-70.3	-63.7	155.2	0	0	112.4	H48 F81 E82	H48-E79 PolarHBondContact CE1-O 3.29Å; H48-E79 PolarHBondContact ND1-O 2.99Å; E79-F81 HydrophobicContact CB-CD1 4.04Å; E79-F81 HydrophobicContact CB-CE1 3.56Å; E79-F81 HydrophobicContact CB-CE2 4.16Å; E79-F81 HydrophobicContact CB-CZ 3.62Å; E79-F81 HydrophobicContact CG-CE1 4.09Å; E79-F81 HydrophobicContact CG-CZ 3.93Å; E79-F81 PolarHBondContact O-N 3.42Å; E79-E82 HydrophobicContact CB-CB 4.39Å; E79-E82 HydrophobicContact CB-CG 4.02Å; E79-E82 PolarHBondContact N-OE2 2.65Å; E79-E82 WeakPolarHBondContact O-CA 3.07Å; E79-E82 WeakPolarHBondContact O-CB 3.44Å; E79-E82 PolarHBondContact O-N 3.16Å
80	P	66.6	Low	74.3	Confident	87 Å²	87	65.8 Å²	65.8	57%	0.565	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-14.5	-176.9	-27.2	36.2	0	0	0	116.5
81	F	63	Low	74.6	Confident	119 Å²	119	63.7 Å²	63.7	52%	0.522	36%	0.355	S	S	.	.	T	Hydrogen-bonded Turn	trans	-105.9	3.4	175.7	58.1	-94.2	0	0	0	113.1	E79 A97	E79-F81 HydrophobicContact CB-CD1 4.04Å; E79-F81 HydrophobicContact CB-CE1 3.56Å; E79-F81 HydrophobicContact CB-CE2 4.16Å; E79-F81 HydrophobicContact CB-CZ 3.62Å; E79-F81 HydrophobicContact CG-CE1 4.09Å; E79-F81 HydrophobicContact CG-CZ 3.93Å; E79-F81 PolarHBondContact O-N 3.42Å; F81-A97 VanDerWaalsContact O-CB 3.31Å; F81-A97 WeakPolarHBondContact O-CB 3.46Å; F81-A97 PolarHBondContact O-N 2.96Å
82	E	75.4	Confident	74.8	Confident	27 Å²	27	62.5 Å²	62.5	13%	0.126	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	159	177.3	-64.5	-174.9	144.5	0	0	111.1	H48 R70 C78 E79 C94 V95	H48-E82 WeakPolarHBondContact CB-O 3.37Å; H48-E82 PolarHBondContact ND1-O 2.81Å; H48-E82 VanDerWaalsContact ND1-O 3.13Å; R70-E82 IonicContact NH2-OE1 2.68Å; R70-E82 IonicContact NH2-OE2 3.28Å; R70-E82 PolarHBondContact NH2-OE2 3.3Å; C78-E82 HydrophobicContact CB-CB 3.8Å; E79-E82 HydrophobicContact CB-CB 4.39Å; E79-E82 HydrophobicContact CB-CG 4.02Å; E79-E82 PolarHBondContact N-OE2 2.65Å; E79-E82 WeakPolarHBondContact O-CA 3.07Å; E79-E82 WeakPolarHBondContact O-CB 3.44Å; E79-E82 PolarHBondContact O-N 3.16Å; E82-C94 WeakPolarHBondContact OE2-CB 3.22Å; E82-V95 CarbonylContact C-O 3.5Å; E82-V95 WeakPolarHBondContact CA-O 3.36Å
83	K	78.7	Confident	75	Confident	25 Å²	25	61.7 Å²	61.7	11%	0.109	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	155.9	172.8	-68.8	-175.1	72.2	73.1	0	111.2	H48 G50 D75 C85 C94 V95 A97	H48-K83 HydrophobicContact CB-CG 4.32Å; H48-K83 PolarHBondContact O-NZ 2.82Å; G50-K83 VanDerWaalsContact C-CD 3.45Å; G50-K83 WeakPolarHBondContact O-CD 3.46Å; G50-K83 VanDerWaalsContact O-CE 3.23Å; G50-K83 WeakPolarHBondContact O-CE 3.41Å; D75-K83 WeakPolarHBondContact OD1-CA 3.4Å; D75-K83 IonicContact OD1-NZ 2.73Å; D75-K83 IonicContact OD2-NZ 2.72Å; D75-K83 PolarHBondContact OD2-NZ 3.23Å; K83-C85 PolarHBondContact O-N 3.44Å; K83-C85 PolarHBondContact O-SG 3Å; K83-C94 WeakPolarHBondContact O-CA 3.27Å; K83-V95 PolarHBondContact N-O 3.28Å; K83-V95 PolarHBondContact O-N 2.73Å; K83-A97 HydrophobicContact CD-CB 4.18Å; K83-A97 HydrophobicContact CG-CB 4.05Å
84	C	82.5	Confident	75	Confident	12 Å²	12	54.1 Å²	54.1	8%	0.081	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	91.4	-178.1	-175	0	0	0	0	111.2	C72 S74 D75 K92	C72-C84 HydrophobicContact CB-CB 3.97Å; C72-C84 WeakPolarHBondContact CB-SG 2.95Å; C72-C84 PolarHBondContact O-SG 3.41Å; C72-C84 VanDerWaalsContact O-SG 3.37Å; C72-C84 WeakPolarHBondContact SG-CA 2.97Å; C72-C84 WeakPolarHBondContact SG-CB 3.02Å; C72-C84 CovalentContact SG-SG 2.03Å; C72-C84 PolarHBondContact SG-SG 2.88Å; S74-C84 VanDerWaalsContact O-CB 3.28Å; S74-C84 WeakPolarHBondContact O-CB 3.16Å; D75-C84 PolarHBondContact OD1-N 3.2Å; C84-K92 VanDerWaalsContact SG-CB 3.59Å; C84-K92 WeakPolarHBondContact SG-CD 3.4Å
85	C	81.6	Confident	74.6	Confident	2 Å²	2	53.2 Å²	53.2	1%	0.014	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	143.3	-165.2	-63	0	0	0	0	112.8	C52 K83 N87 K92 S93 V95	C52-C85 VanDerWaalsContact CA-SG 3.53Å; C52-C85 HydrophobicContact CB-CB 3.72Å; C52-C85 WeakPolarHBondContact CB-SG 3.33Å; C52-C85 WeakPolarHBondContact SG-CA 3.45Å; C52-C85 WeakPolarHBondContact SG-CB 3.38Å; C52-C85 CovalentContact SG-SG 2.03Å; C52-C85 PolarHBondContact SG-SG 2.9Å; K83-C85 PolarHBondContact O-N 3.44Å; K83-C85 PolarHBondContact O-SG 3Å; C85-N87 PolarHBondContact O-N 3.47Å; C85-K92 CarbonylContact O-C 3.47Å; C85-K92 VanDerWaalsContact O-CA 3.26Å; C85-K92 WeakPolarHBondContact O-CA 3.49Å; C85-S93 PolarHBondContact N-O 3.4Å; C85-S93 PolarHBondContact O-N 3.1Å; C85-V95 HydrophobicContact CB-CB 4.22Å; C85-V95 HydrophobicContact CB-CG2 4.12Å
86	P	77.6	Confident	74.5	Confident	70 Å²	70	54.2 Å²	54.2	46%	0.455	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.6	132.5	177.1	26.7	-34	0	0	0	111.6	N54	N54-P86 PolarHBondContact ND2-O 2.91Å
87	N	70.5	Confident	74	Confident	11 Å²	11	49.6 Å²	49.6	6%	0.059	29%	0.293	C	S	.	.			trans	-105.1	169.9	-176.1	73.3	37.1	0	0	0	112.4	C85 C89 G90 N91 S93	C85-N87 PolarHBondContact O-N 3.47Å; N87-C89 PolarHBondContact O-N 3.06Å; N87-C89 VanDerWaalsContact OD1-CA 3.3Å; N87-C89 WeakPolarHBondContact OD1-CA 3.33Å; N87-C89 WeakPolarHBondContact OD1-CB 3.46Å; N87-C89 PolarHBondContact OD1-N 2.94Å; N87-G90 PolarHBondContact O-N 3.06Å; N87-G90 PolarHBondContact OD1-N 3.19Å; N87-G90 VanDerWaalsContact OD1-N 3.14Å; N87-N91 PolarHBondContact N-O 3.41Å; N87-N91 PolarHBondContact ND2-O 3.01Å; N87-N91 PolarHBondContact OD1-N 3.41Å; N87-N91 PolarHBondContact OD1-O 3.43Å; N87-S93 PolarHBondContact ND2-OG 3Å
88	V	68.3	Low	73.4	Confident	71 Å²	71	51.4 Å²	51.4	43%	0.43	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.3	-17.4	-179.5	-66.1	0	0	0	0	114.1	W61 A64 G90	W61-V88 HydrophobicContact CB-CG1 4.28Å; W61-V88 HydrophobicContact CD2-CG1 3.52Å; W61-V88 HydrophobicContact CE3-CB 4.4Å; W61-V88 HydrophobicContact CE3-CG1 3.27Å; W61-V88 HydrophobicContact CG-CG1 3.96Å; W61-V88 HydrophobicContact CH2-CG1 4.46Å; W61-V88 HydrophobicContact CZ3-CG1 3.79Å; A64-V88 HydrophobicContact CB-CG2 3.73Å; V88-G90 VanDerWaalsContact C-N 3.31Å
89	C	67.4	Low	72.7	Confident	80 Å²	80	57.5 Å²	57.5	54%	0.541	32%	0.315	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-2.3	178.9	-55.1	0	0	0	0	113	C68 N87	C68-C89 HydrophobicContact CB-CB 3.96Å; C68-C89 WeakPolarHBondContact CB-SG 3.08Å; C68-C89 WeakPolarHBondContact SG-CB 3.28Å; C68-C89 CovalentContact SG-SG 2.04Å; C68-C89 PolarHBondContact SG-SG 3.32Å; N87-C89 PolarHBondContact O-N 3.06Å; N87-C89 VanDerWaalsContact OD1-CA 3.3Å; N87-C89 WeakPolarHBondContact OD1-CA 3.33Å; N87-C89 WeakPolarHBondContact OD1-CB 3.46Å; N87-C89 PolarHBondContact OD1-N 2.94Å
90	G	64.6	Low	71.5	Confident	67 Å²	67	57.4 Å²	57.4	69%	0.691	32%	0.317	S	S	*	.	S	Bend	trans	93.8	-7.3	178.1	0	0	0	0	0	115.2	N87 V88	N87-G90 PolarHBondContact O-N 3.06Å; N87-G90 PolarHBondContact OD1-N 3.19Å; N87-G90 VanDerWaalsContact OD1-N 3.14Å; V88-G90 VanDerWaalsContact C-N 3.31Å
91	N	75.8	Confident	70.3	Confident	84 Å²	84	59.3 Å²	59.3	45%	0.449	32%	0.322	S	S	.	.	S	Bend	trans	-97.1	-175.4	175.8	-69.7	-8.5	0	0	0	110.3	E71 N87	E71-N91 PolarHBondContact OE1-ND2 2.6Å; N87-N91 PolarHBondContact N-O 3.41Å; N87-N91 PolarHBondContact ND2-O 3.01Å; N87-N91 PolarHBondContact OD1-N 3.41Å; N87-N91 PolarHBondContact OD1-O 3.43Å
92	K	82.8	Confident	69.5	Low	94 Å²	94	60.4 Å²	60.4	41%	0.409	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.7	152.2	168.8	-56	-179.8	-168.3	173.2	0	110.6	E71 C72 E73 C84 C85	E71-K92 VanDerWaalsContact CA-O 3.29Å; E71-K92 WeakPolarHBondContact CA-O 3.04Å; C72-K92 PolarHBondContact N-O 2.79Å; E73-K92 PolarHBondContact O-NZ 3.24Å; C84-K92 VanDerWaalsContact SG-CB 3.59Å; C84-K92 WeakPolarHBondContact SG-CD 3.4Å; C85-K92 CarbonylContact O-C 3.47Å; C85-K92 VanDerWaalsContact O-CA 3.26Å; C85-K92 WeakPolarHBondContact O-CA 3.49Å
93	S	83.9	Confident	68.2	Low	0 Å²	0	68 Å²	68	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.4	156.6	175.3	-56.2	0	0	0	0	112.9	T67 R70 C72 C85 N87 V95	T67-S93 WeakPolarHBondContact O-CB 3.4Å; T67-S93 PolarHBondContact O-OG 3.04Å; R70-S93 CarbonylContact O-C 3.57Å; R70-S93 WeakPolarHBondContact O-CA 3.44Å; R70-S93 WeakPolarHBondContact O-CB 3.44Å; C72-S93 VanDerWaalsContact SG-CA 3.51Å; C85-S93 PolarHBondContact N-O 3.4Å; C85-S93 PolarHBondContact O-N 3.1Å; N87-S93 PolarHBondContact ND2-OG 3Å; S93-V95 PolarHBondContact O-N 2.72Å
94	C	79.7	Confident	66.7	Low	13 Å²	13	69 Å²	69	9%	0.088	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.3	124.1	172.6	-60.5	0	0	0	0	111.2	R70 C78 E82 K83	R70-C94 PolarHBondContact O-N 3.14Å; C78-C94 WeakPolarHBondContact CA-SG 3.38Å; C78-C94 HydrophobicContact CB-CB 3.65Å; C78-C94 WeakPolarHBondContact CB-SG 3.49Å; C78-C94 WeakPolarHBondContact SG-CA 3.26Å; C78-C94 WeakPolarHBondContact SG-CB 3.43Å; C78-C94 CovalentContact SG-SG 2.04Å; C78-C94 PolarHBondContact SG-SG 2.74Å; E82-C94 WeakPolarHBondContact OE2-CB 3.22Å; K83-C94 WeakPolarHBondContact O-CA 3.27Å
95	V	74.4	Confident	64.5	Low	19 Å²	19	76.2 Å²	76.2	12%	0.115	43%	0.426	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.1	138.8	-179.8	-178	0	0	0	0	110.2	P53 V62 T67 E82 K83 C85 S93 A97	P53-V95 HydrophobicContact CG-CG1 3.77Å; V62-V95 HydrophobicContact CG2-CG1 4.05Å; T67-V95 HydrophobicContact CG2-CG2 4.32Å; E82-V95 CarbonylContact C-O 3.5Å; E82-V95 WeakPolarHBondContact CA-O 3.36Å; K83-V95 PolarHBondContact N-O 3.28Å; K83-V95 PolarHBondContact O-N 2.73Å; C85-V95 HydrophobicContact CB-CB 4.22Å; C85-V95 HydrophobicContact CB-CG2 4.12Å; S93-V95 PolarHBondContact O-N 2.72Å; V95-A97 PolarHBondContact O-N 3.04Å
96	A	72	Confident	62.6	Low	45 Å²	45	85.3 Å²	85.3	37%	0.372	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-54.1	126.1	178.8	0	0	0	0	0	112.8
97	A	64.8	Low	60.5	Low	10 Å²	10	85.4 Å²	85.4	8%	0.083	48%	0.479	C	S	.	.			trans	-69.6	145.5	-172	0	0	0	0	0	112.7	A49 F81 K83 V95 Y99	A49-A97 VanDerWaalsContact O-CB 3.28Å; A49-A97 WeakPolarHBondContact O-CB 3.41Å; F81-A97 VanDerWaalsContact O-CB 3.31Å; F81-A97 WeakPolarHBondContact O-CB 3.46Å; F81-A97 PolarHBondContact O-N 2.96Å; K83-A97 HydrophobicContact CD-CB 4.18Å; K83-A97 HydrophobicContact CG-CB 4.05Å; V95-A97 PolarHBondContact O-N 3.04Å; A97-Y99 HydrophobicContact CB-CE2 4.05Å
98	R	64.4	Low	59.3	Low	131 Å²	131	90.8 Å²	90.8	49%	0.494	51%	0.514	S	S	.	.	B	Isolated β-bridge	trans	-107.7	139.4	173.8	-58.4	-55.8	-174.8	176.3	-0.4	110.6	G50 L51 P53 L56	G50-R98 CarbonylContact C-O 3.58Å; G50-R98 WeakPolarHBondContact CA-O 3.48Å; L51-R98 PolarHBondContact N-O 2.81Å; L51-R98 PolarHBondContact O-N 3.06Å; P53-R98 HydrophobicContact CG-CG 4.16Å; L56-R98 HydrophobicContact CD1-CB 3.78Å; L56-R98 HydrophobicContact CD1-CG 4.49Å; L56-R98 HydrophobicContact CD2-CB 4.42Å
99	Y	58.6	Low	57.6	Low	141 Å²	141	95.8 Å²	95.8	55%	0.553	54%	0.537	S	S	*	.			trans	-113.2	142.8	-175.5	-62.1	-96.2	0	0	0	109.9	A49 A97	A49-Y99 HydrophobicContact CB-CE1 3.72Å; A49-Y99 PolarHBondContact O-OH 2.68Å; A97-Y99 HydrophobicContact CB-CE2 4.05Å
100	I	47.9	Very low	55.9	Low	98 Å²	98	95.3 Å²	95.3	50%	0.503	55%	0.546	S	S	.	.			trans	-117.9	134.4	176.7	-56.4	-177.7	0	0	0	107.8	L51 L56	L51-I100 HydrophobicContact CD1-CD1 3.49Å; L51-I100 VanDerWaalsContact CD1-CD1 3.49Å; L51-I100 HydrophobicContact CD1-CG1 4.04Å; L56-I100 HydrophobicContact CD2-CD1 4.41Å; L56-I100 HydrophobicContact CD2-CG1 4.32Å; L56-I100 HydrophobicContact CG-CD1 4.29Å
101	D	42.5	Very low	54.3	Low	127 Å²	127	99.8 Å²	99.8	68%	0.679	55%	0.551	S	S	*	*			trans	-66.2	154.4	174.4	177.4	44.1	0	0	0	112	K103 G104	D101-K103 PolarHBondContact O-N 2.88Å; D101-G104 PolarHBondContact O-N 3.27Å
102	V	47	Very low	52.6	Low	141 Å²	141	101.6 Å²	101.6	86%	0.855	57%	0.567	S	S	*	*	T	Hydrogen-bonded Turn	trans	-62.2	-5.1	-167	-170.8	0	0	0	0	113.9
103	K	46.3	Very low	50.8	Low	187 Å²	187	107.2 Å²	107.2	81%	0.813	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-125.7	12.3	173.7	-67.3	-172.6	177.8	178.4	0	116	D101 N105	D101-K103 PolarHBondContact O-N 2.88Å; K103-N105 PolarHBondContact O-N 3.48Å
104	G	48.6	Very low	49	Very low	45 Å²	45	110 Å²	110	46%	0.464	62%	0.62	S	S	.	*			trans	50.5	58.4	153.2	0	0	0	0	0	118	D101	D101-G104 PolarHBondContact O-N 3.27Å
105	N	36.6	Very low	47.7	Very low	164 Å²	164	110.6 Å²	110.6	88%	0.877	63%	0.626	S	S	*	*			trans	-143.7	160.6	167.4	-107.9	-54.1	0	0	0	113.1	K103	K103-N105 PolarHBondContact O-N 3.48Å
106	K	41.5	Very low	47.1	Very low	193 Å²	193	113.5 Å²	113.5	84%	0.839	64%	0.644	S	S	*	*			trans	-99.9	141.2	-169.9	-60.1	177.5	179.6	-179.4	0	112.2
107	G	31.9	Very low	46.9	Very low	72 Å²	72	113.2 Å²	113.2	74%	0.742	64%	0.639	S	S	*	*			trans	129.6	142.1	166.7	0	0	0	0	0	114
108	P	46.5	Very low	46.9	Very low	124 Å²	124	119.2 Å²	119.2	81%	0.805	67%	0.669	S	S	*	*			trans	-94.1	178.5	-172.5	38	-37.3	0	0	0	114.8
109	I	32.2	Very low	46.7	Very low	177 Å²	177	122.6 Å²	122.6	91%	0.908	69%	0.688	S	S	*	*			trans	85.7	109.4	175.6	-53.1	172.5	0	0	0	114.4
110	G	31.5	Very low	46.9	Very low	70 Å²	70	119.8 Å²	119.8	72%	0.722	68%	0.678	S	S	*	*			trans	152.1	60.4	173.1	0	0	0	0	0	115.2	P112	G110-P112 WeakPolarHBondContact O-CD 3.38Å
111	M	32.1	Very low	47.6	Very low	161 Å²	161	123.3 Å²	123.3	79%	0.793	70%	0.695	S	S	*	*			trans	-57.9	129	177.8	-79	179.6	164.7	0	0	113
112	P	38.9	Very low	49.2	Very low	121 Å²	121	118.9 Å²	118.9	79%	0.786	67%	0.674	S	S	*	*			trans	-69.3	143.3	150.7	-9.8	27.5	0	0	0	109.4	G110 G114	G110-P112 WeakPolarHBondContact O-CD 3.38Å; P112-G114 PolarHBondContact O-N 2.93Å; P112-G114 VanDerWaalsContact O-N 3.1Å
113	K	46.3	Very low	50.6	Low	212 Å²	212	119.3 Å²	119.3	92%	0.922	68%	0.676	S	S	*	*	S	Bend	trans	-63.8	108.4	-169.9	-62.8	173.8	-178.9	177.5	0	113.2
114	G	45.3	Very low	51.9	Low	60 Å²	60	114.3 Å²	114.3	62%	0.619	66%	0.656	S	S	*	*			trans	69.8	117.3	159.3	0	0	0	0	0	115.7	P112	P112-G114 PolarHBondContact O-N 2.93Å; P112-G114 VanDerWaalsContact O-N 3.1Å
115	A	51.9	Low	53.3	Low	25 Å²	25	114.8 Å²	114.8	21%	0.207	65%	0.646	C	S	.	*			trans	-60.2	145.5	156.7	0	0	0	0	0	110.2	I131 G134	A115-I131 HydrophobicContact CB-CG2 3.93Å; A115-I131 VanDerWaalsContact O-CD1 3.26Å; A115-I131 WeakPolarHBondContact O-CD1 3.4Å; A115-G134 WeakPolarHBondContact CB-O 3.26Å
116	T	62.6	Low	55	Low	80 Å²	80	108 Å²	108	49%	0.491	62%	0.616	S	S	.	*			trans	-133.5	143.6	175.1	54.7	0	0	0	0	110.2	D118	T116-D118 VanDerWaalsContact C-N 3.28Å; T116-D118 PolarHBondContact O-N 3.12Å
117	C	66.6	Low	56.7	Low	38 Å²	38	100 Å²	100	26%	0.257	58%	0.583	S	S	.	*	G	3₁₀ helix	trans	-79	-10.7	-178.7	-73.6	0	0	0	0	113.7	K119 F120 C129	C117-K119 PolarHBondContact O-N 3.23Å; C117-F120 PolarHBondContact O-N 2.03Å; C117-C129 VanDerWaalsContact CA-SG 3.5Å; C117-C129 HydrophobicContact CB-CB 3.57Å; C117-C129 WeakPolarHBondContact CB-SG 3.36Å; C117-C129 WeakPolarHBondContact SG-CB 3.41Å; C117-C129 PolarHBondContact SG-O 3.27Å; C117-C129 CovalentContact SG-SG 2.03Å; C117-C129 PolarHBondContact SG-SG 3.45Å
118	D	66.4	Low	58.9	Low	137 Å²	137	101.1 Å²	101.1	73%	0.733	57%	0.569	S	S	*	*	G	3₁₀ helix	trans	-53.6	-15.4	-172.8	-42.1	-21.5	0	0	0	115.7	T116	T116-D118 VanDerWaalsContact C-N 3.28Å; T116-D118 PolarHBondContact O-N 3.12Å
119	K	59.2	Low	60.2	Low	201 Å²	201	96.7 Å²	96.7	87%	0.874	54%	0.541	S	S	*	.	G	3₁₀ helix	trans	-132.9	7	178.9	-61.7	-176.4	-177.9	176.8	0	113.8	C117	C117-K119 PolarHBondContact O-N 3.23Å
120	F	63	Low	62.1	Low	82 Å²	82	92 Å²	92	36%	0.36	52%	0.518	S	S	.	.			trans	-106.8	94.1	-176.9	-169.6	-101.9	0	0	0	109.7	C117 C129 P136 C138	C117-F120 PolarHBondContact O-N 2.03Å; F120-C129 HydrophobicContact CD1-CB 4.17Å; F120-P136 HydrophobicContact CB-CB 3.89Å; F120-P136 HydrophobicContact CB-CG 4.08Å; F120-P136 HydrophobicContact CD1-CB 3.77Å; F120-P136 HydrophobicContact CD1-CG 4.3Å; F120-P136 HydrophobicContact CD2-CB 4.12Å; F120-P136 HydrophobicContact CD2-CG 3.73Å; F120-P136 HydrophobicContact CE1-CB 4.24Å; F120-P136 HydrophobicContact CE2-CG 4.17Å; F120-P136 HydrophobicContact CG-CB 3.67Å; F120-P136 HydrophobicContact CG-CG 3.79Å; F120-P136 VanDerWaalsContact CZ-O 3.31Å; F120-P136 WeakPolarHBondContact CZ-O 3.48Å; F120-C138 WeakPolarHBondContact CE1-SG 3.23Å
121	M	62.7	Low	63.9	Low	173 Å²	173	92.5 Å²	92.5	85%	0.852	50%	0.503	S	S	*	.			trans	-88.5	119.5	-178.7	-67.9	-171.6	69.6	0	0	111
122	C	75.2	Confident	64.6	Low	34 Å²	34	94 Å²	94	23%	0.23	50%	0.5	C	S	.	.			trans	-81.9	129.3	173.1	-62	0	0	0	0	111.1	S127 C138	C122-S127 WeakPolarHBondContact CB-OG 3.49Å; C122-C138 WeakPolarHBondContact CA-SG 3.07Å; C122-C138 HydrophobicContact CB-CB 3.81Å; C122-C138 WeakPolarHBondContact CB-SG 3.1Å; C122-C138 WeakPolarHBondContact SG-CA 3.09Å; C122-C138 WeakPolarHBondContact SG-CB 3.31Å; C122-C138 CovalentContact SG-SG 2.03Å; C122-C138 PolarHBondContact SG-SG 2.78Å
123	T	77.4	Confident	65.3	Low	149 Å²	149	94.9 Å²	94.9	91%	0.914	50%	0.498	S	S	*	.			trans	-88.8	-13.1	-176.6	50.1	0	0	0	0	113.6
124	Q	74.3	Confident	65.7	Low	82 Å²	82	86.7 Å²	86.7	38%	0.383	47%	0.474	S	S	.	.	S	Bend	trans	-88.7	127.5	-177.7	-179.3	173.5	6.6	0	0	110.3	G126 S127 C170	Q124-G126 PolarHBondContact O-N 2.81Å; Q124-S127 WeakPolarHBondContact O-CB 3.5Å; Q124-S127 PolarHBondContact O-N 2.03Å; Q124-S127 VanDerWaalsContact O-N 3.16Å; Q124-S127 PolarHBondContact O-OG 2.75Å; Q124-C170 PolarHBondContact NE2-O 2.7Å
125	Q	76.3	Confident	66	Low	55 Å²	55	90.3 Å²	90.3	26%	0.257	48%	0.475	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	135.3	176.7	-180	174.2	-5.2	0	0	110.6	S127 D166 A169 C170 S175 I176	Q125-S127 PolarHBondContact O-N 2.04Å; Q125-D166 HydrophobicContact CG-CB 4.37Å; Q125-D166 PolarHBondContact NE2-OD1 2.97Å; Q125-A169 HydrophobicContact CB-CB 4.47Å; Q125-A169 HydrophobicContact CG-CB 4.18Å; Q125-C170 VanDerWaalsContact O-CA 3.26Å; Q125-C170 WeakPolarHBondContact O-CA 3.45Å; Q125-C170 WeakPolarHBondContact O-CB 3.48Å; Q125-C170 PolarHBondContact O-N 2.92Å; Q125-S175 VanDerWaalsContact OE1-CA 3.32Å; Q125-I176 PolarHBondContact NE2-O 3.02Å; Q125-I176 PolarHBondContact OE1-O 3.42Å
126	G	74.3	Confident	66.6	Low	23 Å²	23	91 Å²	91	24%	0.237	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	68.7	9	179.9	0	0	0	0	0	116.5	Q124 R141 D166	Q124-G126 PolarHBondContact O-N 2.81Å; G126-R141 PolarHBondContact O-N 2.88Å; G126-D166 WeakPolarHBondContact CA-O 3.03Å
127	S	77.1	Confident	67.1	Low	23 Å²	23	90.1 Å²	90.1	16%	0.161	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	142.2	167.3	67.4	0	0	0	0	111.5	C122 Q124 Q125 K139	C122-S127 WeakPolarHBondContact CB-OG 3.49Å; Q124-S127 WeakPolarHBondContact O-CB 3.5Å; Q124-S127 PolarHBondContact O-N 2.03Å; Q124-S127 VanDerWaalsContact O-N 3.16Å; Q124-S127 PolarHBondContact O-OG 2.75Å; Q125-S127 PolarHBondContact O-N 2.04Å; S127-K139 CarbonylContact C-O 3.59Å; S127-K139 WeakPolarHBondContact CA-O 3.49Å
128	E	76.2	Confident	67.5	Low	96 Å²	96	90.6 Å²	90.6	45%	0.449	48%	0.475	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.3	179.3	-169.7	161.4	-157.2	0	0	107.9	K139 R141	E128-K139 PolarHBondContact N-O 3.17Å; E128-K139 PolarHBondContact O-N 2.92Å; E128-R141 IonicContact OE1-CZ 2.66Å; E128-R141 IonicContact OE1-NH2 2.68Å; E128-R141 PolarHBondContact OE1-NH2 2.91Å; E128-R141 IonicContact OE2-CZ 2.82Å; E128-R141 IonicContact OE2-NE 3.89Å; E128-R141 PolarHBondContact OE2-NE 3.18Å; E128-R141 IonicContact OE2-NH2 2.81Å; E128-R141 PolarHBondContact OE2-NH2 3.18Å
129	C	74	Confident	68	Low	31 Å²	31	88.5 Å²	88.5	21%	0.209	46%	0.459	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.1	124	178.2	174.8	0	0	0	0	110	C117 F120	C117-C129 VanDerWaalsContact CA-SG 3.5Å; C117-C129 HydrophobicContact CB-CB 3.57Å; C117-C129 WeakPolarHBondContact CB-SG 3.36Å; C117-C129 WeakPolarHBondContact SG-CB 3.41Å; C117-C129 PolarHBondContact SG-O 3.27Å; C117-C129 CovalentContact SG-SG 2.03Å; C117-C129 PolarHBondContact SG-SG 3.45Å; F120-C129 HydrophobicContact CD1-CB 4.17Å
130	D	73.7	Confident	68.9	Low	80 Å²	80	80.4 Å²	80.4	43%	0.428	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	155.5	173.3	-167.7	7.3	0	0	0	109.3	P136 V137 K139	D130-P136 WeakPolarHBondContact O-CA 3.5Å; D130-V137 PolarHBondContact N-O 3.04Å; D130-V137 PolarHBondContact O-N 2.64Å; D130-K139 HydrophobicContact CB-CB 4.36Å
131	I	67.9	Low	69.4	Low	80 Å²	80	81.6 Å²	81.6	41%	0.41	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.8	96.9	-175.3	-63.1	156.7	0	0	0	109.2	A115 Q135	A115-I131 HydrophobicContact CB-CG2 3.93Å; A115-I131 VanDerWaalsContact O-CD1 3.26Å; A115-I131 WeakPolarHBondContact O-CD1 3.4Å; I131-Q135 CarbonylContact C-O 3.56Å; I131-Q135 WeakPolarHBondContact CA-O 3.18Å
132	W	47.1	Very low	69.5	Low	192 Å²	192	79.1 Å²	79.1	73%	0.727	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-106	128.4	-178	-153.2	75.6	0	0	0	111	G134 Q135 V137	W132-G134 PolarHBondContact O-N 3Å; W132-Q135 PolarHBondContact N-O 3.46Å; W132-Q135 PolarHBondContact O-N 3.04Å; W132-Q135 VanDerWaalsContact O-O 3.13Å; W132-V137 HydrophobicContact CB-CG2 4.05Å
133	D	53.5	Low	69.1	Low	139 Å²	139	87.9 Å²	87.9	74%	0.743	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	43.4	36.8	-173.5	-157.6	29.8	0	0	0	115.1
134	G	55.8	Low	69	Low	40 Å²	40	81.9 Å²	81.9	41%	0.412	41%	0.412	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.5	19	-179.9	0	0	0	0	0	115.2	A115 W132	A115-G134 WeakPolarHBondContact CB-O 3.26Å; W132-G134 PolarHBondContact O-N 3Å
135	Q	49.9	Very low	69	Low	137 Å²	137	85 Å²	85	64%	0.64	43%	0.426	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-124.4	147.9	169.2	-61.2	-172	8.9	0	0	110.9	I131 W132	I131-Q135 CarbonylContact C-O 3.56Å; I131-Q135 WeakPolarHBondContact CA-O 3.18Å; W132-Q135 PolarHBondContact N-O 3.46Å; W132-Q135 PolarHBondContact O-N 3.04Å; W132-Q135 VanDerWaalsContact O-O 3.13Å
136	P	66.6	Low	68.5	Low	38 Å²	38	92.7 Å²	92.7	25%	0.247	45%	0.453	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	131.8	172.9	33.4	-31.8	0	0	0	109.9	F120 D130	F120-P136 HydrophobicContact CB-CB 3.89Å; F120-P136 HydrophobicContact CB-CG 4.08Å; F120-P136 HydrophobicContact CD1-CB 3.77Å; F120-P136 HydrophobicContact CD1-CG 4.3Å; F120-P136 HydrophobicContact CD2-CB 4.12Å; F120-P136 HydrophobicContact CD2-CG 3.73Å; F120-P136 HydrophobicContact CE1-CB 4.24Å; F120-P136 HydrophobicContact CE2-CG 4.17Å; F120-P136 HydrophobicContact CG-CB 3.67Å; F120-P136 HydrophobicContact CG-CG 3.79Å; F120-P136 VanDerWaalsContact CZ-O 3.31Å; F120-P136 WeakPolarHBondContact CZ-O 3.48Å; D130-P136 WeakPolarHBondContact O-CA 3.5Å
137	V	72.3	Confident	67.8	Low	63 Å²	63	97.5 Å²	97.5	38%	0.382	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	137	-176.8	-179	0	0	0	0	109.1	D130 W132 K139	D130-V137 PolarHBondContact N-O 3.04Å; D130-V137 PolarHBondContact O-N 2.64Å; W132-V137 HydrophobicContact CB-CG2 4.05Å; V137-K139 PolarHBondContact O-N 3.38Å
138	C	74.6	Confident	67.1	Low	47 Å²	47	100 Å²	100	32%	0.318	49%	0.485	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.9	117.4	173.3	-63.9	0	0	0	0	109.4	F120 C122	F120-C138 WeakPolarHBondContact CE1-SG 3.23Å; C122-C138 WeakPolarHBondContact CA-SG 3.07Å; C122-C138 HydrophobicContact CB-CB 3.81Å; C122-C138 WeakPolarHBondContact CB-SG 3.1Å; C122-C138 WeakPolarHBondContact SG-CA 3.09Å; C122-C138 WeakPolarHBondContact SG-CB 3.31Å; C122-C138 CovalentContact SG-SG 2.03Å; C122-C138 PolarHBondContact SG-SG 2.78Å
139	K	76.7	Confident	66.9	Low	93 Å²	93	101.6 Å²	101.6	40%	0.404	49%	0.492	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	140	179.2	-165.3	-170.5	170.7	-164.9	0	110.1	S127 E128 D130 V137 D142	S127-K139 CarbonylContact C-O 3.59Å; S127-K139 WeakPolarHBondContact CA-O 3.49Å; E128-K139 PolarHBondContact N-O 3.17Å; E128-K139 PolarHBondContact O-N 2.92Å; D130-K139 HydrophobicContact CB-CB 4.36Å; V137-K139 PolarHBondContact O-N 3.38Å; K139-D142 WeakPolarHBondContact CE-OD2 3.36Å; K139-D142 IonicContact NZ-OD2 2.6Å; K139-D142 PolarHBondContact NZ-OD2 3.22Å
140	C	79.1	Confident	67	Low	31 Å²	31	106.4 Å²	106.4	21%	0.209	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	143.8	172.2	-59.8	0	0	0	0	111.7	D142 C170 S171	C140-D142 PolarHBondContact O-N 2.89Å; C140-C170 WeakPolarHBondContact CA-SG 3.26Å; C140-C170 HydrophobicContact CB-CB 3.67Å; C140-C170 WeakPolarHBondContact CB-SG 3.35Å; C140-C170 WeakPolarHBondContact SG-CB 3.19Å; C140-C170 CovalentContact SG-SG 2.04Å; C140-C170 PolarHBondContact SG-SG 3.41Å; C140-S171 PolarHBondContact SG-N 2.91Å; C140-S171 VanDerWaalsContact SG-N 3.45Å
141	R	73.3	Confident	67.2	Low	107 Å²	107	103 Å²	103	40%	0.404	49%	0.492	S	S	.	.			trans	-73.5	96.7	-179.1	178.8	173.8	-87.1	-155.3	-4.8	111.4	G126 E128 R143 C163 A167	G126-R141 PolarHBondContact O-N 2.88Å; E128-R141 IonicContact OE1-CZ 2.66Å; E128-R141 IonicContact OE1-NH2 2.68Å; E128-R141 PolarHBondContact OE1-NH2 2.91Å; E128-R141 IonicContact OE2-CZ 2.82Å; E128-R141 IonicContact OE2-NE 3.89Å; E128-R141 PolarHBondContact OE2-NE 3.18Å; E128-R141 IonicContact OE2-NH2 2.81Å; E128-R141 PolarHBondContact OE2-NH2 3.18Å; R141-R143 WeakPolarHBondContact CD-O 3.4Å; R141-R143 VanDerWaalsContact CG-O 3.22Å; R141-R143 WeakPolarHBondContact CG-O 3.41Å; R141-R143 PolarHBondContact O-N 3.23Å; R141-R143 VanDerWaalsContact O-N 3.1Å; R141-C163 VanDerWaalsContact CD-SG 3.53Å; R141-A167 WeakPolarHBondContact O-CB 3Å
142	D	63.8	Low	67.9	Low	122 Å²	122	99.8 Å²	99.8	65%	0.652	48%	0.477	S	S	*	.			trans	-65.4	-8.8	179.1	-58	-31.7	0	0	0	115	K139 C140	K139-D142 WeakPolarHBondContact CE-OD2 3.36Å; K139-D142 IonicContact NZ-OD2 2.6Å; K139-D142 PolarHBondContact NZ-OD2 3.22Å; C140-D142 PolarHBondContact O-N 2.89Å
143	R	66.9	Low	69.5	Low	218 Å²	218	90.7 Å²	90.7	82%	0.823	44%	0.442	S	S	*	.			trans	-139.8	121.8	-172.1	-64.9	-175.3	-178.6	-178	1.2	111.7	R141	R141-R143 WeakPolarHBondContact CD-O 3.4Å; R141-R143 VanDerWaalsContact CG-O 3.22Å; R141-R143 WeakPolarHBondContact CG-O 3.41Å; R141-R143 PolarHBondContact O-N 3.23Å; R141-R143 VanDerWaalsContact O-N 3.1Å
144	C	76	Confident	70.9	Confident	23 Å²	23	87.1 Å²	87.1	16%	0.155	43%	0.428	C	S	.	.			trans	-118.2	158.7	175	-70.6	0	0	0	0	111.7	C163 Y164	C144-C163 WeakPolarHBondContact CA-SG 3.37Å; C144-C163 HydrophobicContact CB-CB 3.67Å; C144-C163 WeakPolarHBondContact CB-SG 3.04Å; C144-C163 WeakPolarHBondContact SG-CB 3.35Å; C144-C163 PolarHBondContact SG-O 2.9Å; C144-C163 CovalentContact SG-SG 2.04Å; C144-C163 PolarHBondContact SG-SG 3.41Å; C144-Y164 HydrophobicContact CB-CD1 4.38Å; C144-Y164 HydrophobicContact CB-CD2 3.81Å; C144-Y164 HydrophobicContact CB-CE1 4.19Å; C144-Y164 HydrophobicContact CB-CE2 3.59Å; C144-Y164 HydrophobicContact CB-CG 4.2Å
145	E	73.8	Confident	72	Confident	147 Å²	147	88.7 Å²	88.7	69%	0.687	43%	0.427	S	S	*	.			trans	-70.8	151.2	178	-68.7	170.2	173	0	0	111.1	E147 N161	E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 2.82Å; E145-N161 PolarHBondContact O-ND2 3.07Å
146	R	64.8	Low	73.3	Confident	217 Å²	217	85.4 Å²	85.4	82%	0.819	43%	0.43	S	S	*	.			trans	-89.2	15	-173.9	-69	-174.9	174	-177	-2.4	114	Y160	R146-Y160 PolarHBondContact O-OH 2.04Å
147	E	60.2	Low	73.6	Confident	124 Å²	124	88.7 Å²	88.7	58%	0.579	44%	0.443	S	S	*	.			trans	-83.5	127.2	178.7	-59.2	-161.2	158.5	0	0	110.6	E145 H149 N161	E145-E147 VanDerWaalsContact C-N 3.3Å; E145-E147 PolarHBondContact O-N 2.82Å; E147-H149 PolarHBondContact O-N 2.93Å; E147-H149 VanDerWaalsContact O-N 3.08Å; E147-N161 PolarHBondContact O-ND2 3.17Å
148	P	63.2	Low	73.8	Confident	76 Å²	76	89.7 Å²	89.7	49%	0.494	45%	0.45	S	S	.	.			trans	-82.1	86.2	-173.1	32	-35.1	0	0	0	111.8	F150 Y160	P148-F150 HydrophobicContact CB-CE2 4.13Å; P148-F150 HydrophobicContact CB-CZ 4.33Å; P148-Y160 HydrophobicContact CB-CE1 4.28Å; P148-Y160 HydrophobicContact CB-CE2 4.12Å
149	H	71.3	Confident	73.7	Confident	128 Å²	128	88.2 Å²	88.2	59%	0.593	44%	0.437	S	S	*	.			trans	-109.6	67.5	175.9	-81.6	-72.7	0	0	0	111	E147 T151 Y160 N161	E147-H149 PolarHBondContact O-N 2.93Å; E147-H149 VanDerWaalsContact O-N 3.08Å; H149-T151 PolarHBondContact O-N 2.9Å; H149-T151 VanDerWaalsContact O-N 3.14Å; H149-T151 PolarHBondContact O-OG1 2.87Å; H149-Y160 CarbonylContact C-O 3.56Å; H149-Y160 VanDerWaalsContact C-O 3.27Å; H149-Y160 PolarHBondContact N-O 3.19Å; H149-N161 HydrophobicContact CB-CB 4.05Å; H149-N161 WeakPolarHBondContact O-CA 3.45Å
150	F	76.5	Confident	73.6	Confident	132 Å²	132	88.6 Å²	88.6	58%	0.579	44%	0.437	S	S	*	.			trans	-48	118.9	-172	-64.5	-73.1	0	0	0	112.9	P148 T158 Y159 Y160	P148-F150 HydrophobicContact CB-CE2 4.13Å; P148-F150 HydrophobicContact CB-CZ 4.33Å; F150-T158 HydrophobicContact CB-CG2 4.21Å; F150-Y159 CarbonylContact C-O 3.53Å; F150-Y159 WeakPolarHBondContact CA-O 3.42Å; F150-Y160 AromaticContact CE1-CD2 3.98Å; F150-Y160 HydrophobicContact CE1-CD2 3.98Å; F150-Y160 HydrophobicContact CE1-CE2 4.49Å; F150-Y160 HydrophobicContact CZ-CD2 4.44Å; F150-Y160 PolarHBondContact N-O 2.88Å
151	T	78.2	Confident	73.6	Confident	10 Å²	10	87.7 Å²	87.7	6%	0.061	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	116.9	-170.8	-54.7	0	0	0	0	108.8	H149 Y159 K162 M165 E178	H149-T151 PolarHBondContact O-N 2.9Å; H149-T151 VanDerWaalsContact O-N 3.14Å; H149-T151 PolarHBondContact O-OG1 2.87Å; T151-Y159 PolarHBondContact N-O 2.99Å; T151-Y159 PolarHBondContact O-N 3.14Å; T151-K162 HydrophobicContact CG2-CB 4.25Å; T151-K162 HydrophobicContact CG2-CG 4.49Å; T151-K162 PolarHBondContact OG1-N 3.02Å; T151-M165 HydrophobicContact CG2-SD 3.94Å; T151-E178 HydrophobicContact CG2-CB 4.45Å; T151-E178 HydrophobicContact CG2-CG 3.77Å
152	C	81.4	Confident	74	Confident	12 Å²	12	86.7 Å²	86.7	8%	0.081	43%	0.429	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	148	175.3	-62.5	0	0	0	0	111.4	M157 T158 E178 V179 C181	C152-M157 WeakPolarHBondContact CA-O 3Å; C152-T158 PolarHBondContact SG-OG1 2.71Å; C152-E178 WeakPolarHBondContact O-CA 3.4Å; C152-V179 HydrophobicContact CB-CG2 4.25Å; C152-V179 WeakPolarHBondContact CB-O 3.02Å; C152-V179 PolarHBondContact O-N 2.75Å; C152-C181 HydrophobicContact CB-CB 3.96Å; C152-C181 WeakPolarHBondContact CB-SG 3.4Å; C152-C181 WeakPolarHBondContact SG-CA 2.97Å; C152-C181 WeakPolarHBondContact SG-CB 3.33Å; C152-C181 CovalentContact SG-SG 2.03Å; C152-C181 PolarHBondContact SG-SG 3.08Å
153	A	81.9	Confident	74.8	Confident	1 Å²	1	82.3 Å²	82.3	1%	0.008	41%	0.407	C	S	.	.	B	Isolated β-bridge	trans	-128.2	158	-165.9	0	0	0	0	0	113	D155 G156 M157 Y159 M165 I176 T177 V179	A153-D155 WeakPolarHBondContact CB-OD1 3.28Å; A153-D155 PolarHBondContact O-N 3.29Å; A153-G156 PolarHBondContact O-N 3.11Å; A153-M157 PolarHBondContact N-O 2.95Å; A153-Y159 HydrophobicContact CB-CD2 3.7Å; A153-Y159 HydrophobicContact CB-CE2 3.49Å; A153-Y159 VanDerWaalsContact CB-CE2 3.49Å; A153-M165 HydrophobicContact CB-CG 4.17Å; A153-M165 HydrophobicContact CB-SD 3.91Å; A153-I176 HydrophobicContact CB-CG2 3.53Å; A153-T177 CarbonylContact C-O 3.27Å; A153-T177 WeakPolarHBondContact CA-O 3.49Å; A153-V179 WeakPolarHBondContact O-CG2 3.3Å
154	S	82.4	Confident	75.4	Confident	63 Å²	63	76.7 Å²	76.7	44%	0.441	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.1	-12	-176.3	61.9	0	0	0	0	114.8	G156 T177	S154-G156 VanDerWaalsContact C-N 3.26Å; S154-T177 WeakPolarHBondContact CB-O 3.39Å; S154-T177 VanDerWaalsContact CB-OG1 3.27Å; S154-T177 WeakPolarHBondContact CB-OG1 3.45Å; S154-T177 PolarHBondContact N-O 2.91Å; S154-T177 PolarHBondContact OG-N 3.1Å; S154-T177 PolarHBondContact OG-OG1 3.08Å
155	D	79.6	Confident	75.8	Confident	74 Å²	74	75.6 Å²	75.6	40%	0.396	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.8	-8.1	169.3	64.2	-9.2	0	0	0	112.8	A153 M157 Y159	A153-D155 WeakPolarHBondContact CB-OD1 3.28Å; A153-D155 PolarHBondContact O-N 3.29Å; D155-M157 WeakPolarHBondContact OD1-CB 3.38Å; D155-M157 PolarHBondContact OD1-N 2.92Å; D155-M157 WeakPolarHBondContact OD2-CG 3.19Å; D155-Y159 PolarHBondContact OD2-OH 2.93Å
156	G	76.7	Confident	76.1	Confident	67 Å²	67	70.3 Å²	70.3	69%	0.691	36%	0.356	S	S	*	.	S	Bend	trans	91.6	-0.1	-175.6	0	0	0	0	0	114.4	A153 S154	A153-G156 PolarHBondContact O-N 3.11Å; S154-G156 VanDerWaalsContact C-N 3.26Å
157	M	73.3	Confident	76.9	Confident	107 Å²	107	60.7 Å²	60.7	53%	0.527	32%	0.323	S	S	.	.			trans	-88.8	165.5	-178	-62.9	-63.6	-73.8	0	0	112.5	C152 A153 D155 Y159	C152-M157 WeakPolarHBondContact CA-O 3Å; A153-M157 PolarHBondContact N-O 2.95Å; D155-M157 WeakPolarHBondContact OD1-CB 3.38Å; D155-M157 PolarHBondContact OD1-N 2.92Å; D155-M157 WeakPolarHBondContact OD2-CG 3.19Å; M157-Y159 HydrophobicContact CB-CD2 4.41Å; M157-Y159 HydrophobicContact CB-CE2 3.78Å
158	T	76.7	Confident	77.8	Confident	85 Å²	85	58.2 Å²	58.2	52%	0.521	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122	114.8	172	-54.8	0	0	0	0	109.4	F150 C152	F150-T158 HydrophobicContact CB-CG2 4.21Å; C152-T158 PolarHBondContact SG-OG1 2.71Å
159	Y	72.1	Confident	78.7	Confident	15 Å²	15	54.6 Å²	54.6	6%	0.059	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	151	-178.7	-68.7	-90.9	0	0	0	111.1	F150 T151 A153 D155 M157 N161 M165 E168	F150-Y159 CarbonylContact C-O 3.53Å; F150-Y159 WeakPolarHBondContact CA-O 3.42Å; T151-Y159 PolarHBondContact N-O 2.99Å; T151-Y159 PolarHBondContact O-N 3.14Å; A153-Y159 HydrophobicContact CB-CD2 3.7Å; A153-Y159 HydrophobicContact CB-CE2 3.49Å; A153-Y159 VanDerWaalsContact CB-CE2 3.49Å; D155-Y159 PolarHBondContact OD2-OH 2.93Å; M157-Y159 HydrophobicContact CB-CD2 4.41Å; M157-Y159 HydrophobicContact CB-CE2 3.78Å; Y159-N161 VanDerWaalsContact C-N 3.3Å; Y159-N161 PolarHBondContact O-N 3.22Å; Y159-M165 HydrophobicContact CD1-CB 4.06Å; Y159-M165 HydrophobicContact CD2-CB 3.76Å; Y159-M165 HydrophobicContact CD2-CG 3.62Å; Y159-M165 HydrophobicContact CE2-CB 4.35Å; Y159-M165 HydrophobicContact CE2-CG 3.87Å; Y159-M165 HydrophobicContact CG-CB 3.6Å; Y159-M165 HydrophobicContact CG-CG 4.02Å; Y159-E168 HydrophobicContact CE1-CB 3.91Å; Y159-E168 HydrophobicContact CE1-CG 4.31Å; Y159-E168 PolarHBondContact OH-OE1 2.91Å
160	Y	74.3	Confident	79.1	Confident	101 Å²	101	48.6 Å²	48.6	40%	0.396	26%	0.26	S	S	.	.	S	Bend	trans	-59.6	-39.8	-178.4	-173.1	-96.2	0	0	0	112.8	R146 P148 H149 F150 Y164	R146-Y160 PolarHBondContact O-OH 2.04Å; P148-Y160 HydrophobicContact CB-CE1 4.28Å; P148-Y160 HydrophobicContact CB-CE2 4.12Å; H149-Y160 CarbonylContact C-O 3.56Å; H149-Y160 VanDerWaalsContact C-O 3.27Å; H149-Y160 PolarHBondContact N-O 3.19Å; F150-Y160 AromaticContact CE1-CD2 3.98Å; F150-Y160 HydrophobicContact CE1-CD2 3.98Å; F150-Y160 HydrophobicContact CE1-CE2 4.49Å; F150-Y160 HydrophobicContact CZ-CD2 4.44Å; F150-Y160 PolarHBondContact N-O 2.88Å; Y160-Y164 HydrophobicContact CD1-CD2 4.1Å; Y160-Y164 AromaticContact CD1-CE2 3.99Å; Y160-Y164 HydrophobicContact CD1-CE2 3.99Å
161	N	78.8	Confident	79.1	Confident	13 Å²	13	46.4 Å²	46.4	7%	0.07	26%	0.261	C	S	.	.	S	Bend	trans	-156.5	172.6	161.7	60	45.4	0	0	0	110.5	E145 E147 H149 Y159 C163 Y164 M165	E145-N161 PolarHBondContact O-ND2 3.07Å; E147-N161 PolarHBondContact O-ND2 3.17Å; H149-N161 HydrophobicContact CB-CB 4.05Å; H149-N161 WeakPolarHBondContact O-CA 3.45Å; Y159-N161 VanDerWaalsContact C-N 3.3Å; Y159-N161 PolarHBondContact O-N 3.22Å; N161-C163 PolarHBondContact O-N 3.1Å; N161-C163 WeakPolarHBondContact OD1-CB 3.26Å; N161-C163 PolarHBondContact OD1-N 3.05Å; N161-Y164 WeakPolarHBondContact O-CB 3.4Å; N161-Y164 PolarHBondContact O-N 2.73Å; N161-Y164 WeakPolarHBondContact OD1-CD2 3.41Å; N161-Y164 PolarHBondContact OD1-N 3.28Å; N161-M165 PolarHBondContact O-N 2.87Å
162	K	81.6	Confident	79	Confident	86 Å²	86	50.8 Å²	50.8	37%	0.374	28%	0.279	S	S	.	.	H	α-helix	trans	-55.6	-35.6	-177.2	-168.9	179.7	-176.8	67.4	0	113.7	T151 Y164 M165 D166 E178	T151-K162 HydrophobicContact CG2-CB 4.25Å; T151-K162 HydrophobicContact CG2-CG 4.49Å; T151-K162 PolarHBondContact OG1-N 3.02Å; K162-Y164 VanDerWaalsContact C-N 3.33Å; K162-Y164 PolarHBondContact O-N 2.91Å; K162-M165 HydrophobicContact CG-CE 4.23Å; K162-M165 WeakPolarHBondContact O-CB 3.44Å; K162-M165 PolarHBondContact O-N 3.25Å; K162-D166 PolarHBondContact O-N 3Å; K162-E178 IonicContact NZ-OE2 3.68Å; K162-E178 PolarHBondContact NZ-OE2 3.16Å
163	C	80.3	Confident	78.7	Confident	29 Å²	29	52.8 Å²	52.8	20%	0.196	30%	0.302	C	S	.	.	H	α-helix	trans	-62	-41.3	176.7	-179.6	0	0	0	0	111.6	R141 C144 N161 D166 A167	R141-C163 VanDerWaalsContact CD-SG 3.53Å; C144-C163 WeakPolarHBondContact CA-SG 3.37Å; C144-C163 HydrophobicContact CB-CB 3.67Å; C144-C163 WeakPolarHBondContact CB-SG 3.04Å; C144-C163 WeakPolarHBondContact SG-CB 3.35Å; C144-C163 PolarHBondContact SG-O 2.9Å; C144-C163 CovalentContact SG-SG 2.04Å; C144-C163 PolarHBondContact SG-SG 3.41Å; N161-C163 PolarHBondContact O-N 3.1Å; N161-C163 WeakPolarHBondContact OD1-CB 3.26Å; N161-C163 PolarHBondContact OD1-N 3.05Å; C163-D166 PolarHBondContact O-N 2.91Å; C163-A167 VanDerWaalsContact O-CB 3.28Å; C163-A167 WeakPolarHBondContact O-CB 3.49Å; C163-A167 PolarHBondContact O-N 3.27Å
164	Y	80.4	Confident	78.5	Confident	101 Å²	101	56.2 Å²	56.2	40%	0.396	32%	0.323	S	S	.	.	H	α-helix	trans	-66.1	-38.2	174.5	-78.7	-76	0	0	0	112.4	C144 Y160 N161 K162 E168	C144-Y164 HydrophobicContact CB-CD1 4.38Å; C144-Y164 HydrophobicContact CB-CD2 3.81Å; C144-Y164 HydrophobicContact CB-CE1 4.19Å; C144-Y164 HydrophobicContact CB-CE2 3.59Å; C144-Y164 HydrophobicContact CB-CG 4.2Å; Y160-Y164 HydrophobicContact CD1-CD2 4.1Å; Y160-Y164 AromaticContact CD1-CE2 3.99Å; Y160-Y164 HydrophobicContact CD1-CE2 3.99Å; N161-Y164 WeakPolarHBondContact O-CB 3.4Å; N161-Y164 PolarHBondContact O-N 2.73Å; N161-Y164 WeakPolarHBondContact OD1-CD2 3.41Å; N161-Y164 PolarHBondContact OD1-N 3.28Å; K162-Y164 VanDerWaalsContact C-N 3.33Å; K162-Y164 PolarHBondContact O-N 2.91Å; Y164-E168 WeakPolarHBondContact O-CB 3.31Å; Y164-E168 PolarHBondContact O-N 2.93Å
165	M	84	Confident	78.4	Confident	0 Å²	0	58 Å²	58	0%	0	34%	0.335	C	S	.	.	H	α-helix	trans	-59.7	-50.1	172.9	-173.7	-166.8	79.8	0	0	111.2	T151 A153 Y159 N161 K162 E168 A169 I176 E178	T151-M165 HydrophobicContact CG2-SD 3.94Å; A153-M165 HydrophobicContact CB-CG 4.17Å; A153-M165 HydrophobicContact CB-SD 3.91Å; Y159-M165 HydrophobicContact CD1-CB 4.06Å; Y159-M165 HydrophobicContact CD2-CB 3.76Å; Y159-M165 HydrophobicContact CD2-CG 3.62Å; Y159-M165 HydrophobicContact CE2-CB 4.35Å; Y159-M165 HydrophobicContact CE2-CG 3.87Å; Y159-M165 HydrophobicContact CG-CB 3.6Å; Y159-M165 HydrophobicContact CG-CG 4.02Å; N161-M165 PolarHBondContact O-N 2.87Å; K162-M165 HydrophobicContact CG-CE 4.23Å; K162-M165 WeakPolarHBondContact O-CB 3.44Å; K162-M165 PolarHBondContact O-N 3.25Å; M165-E168 PolarHBondContact O-N 2.85Å; M165-A169 WeakPolarHBondContact O-CB 3.25Å; M165-A169 PolarHBondContact O-N 3.07Å; M165-I176 HydrophobicContact CG-CB 4.48Å; M165-I176 HydrophobicContact CG-CG2 3.88Å; M165-I176 HydrophobicContact SD-CG2 4.08Å; M165-E178 HydrophobicContact CE-CB 4.49Å
166	D	81.6	Confident	78.6	Confident	36 Å²	36	54.9 Å²	54.9	19%	0.193	32%	0.319	C	S	.	.	H	α-helix	trans	-65.7	-42	-178.6	-67.4	-29.2	0	0	0	111.5	Q125 G126 K162 C163 A169 C170	Q125-D166 HydrophobicContact CG-CB 4.37Å; Q125-D166 PolarHBondContact NE2-OD1 2.97Å; G126-D166 WeakPolarHBondContact CA-O 3.03Å; K162-D166 PolarHBondContact O-N 3Å; C163-D166 PolarHBondContact O-N 2.91Å; D166-A169 WeakPolarHBondContact O-CB 3.34Å; D166-A169 PolarHBondContact O-N 2.92Å; D166-C170 WeakPolarHBondContact O-CB 3.39Å; D166-C170 PolarHBondContact O-N 3Å
167	A	80.8	Confident	78.9	Confident	15 Å²	15	56 Å²	56	12%	0.124	31%	0.312	C	S	.	.	H	α-helix	trans	-66.5	-35.3	177.5	0	0	0	0	0	113.1	R141 C163 C170 S171	R141-A167 WeakPolarHBondContact O-CB 3Å; C163-A167 VanDerWaalsContact O-CB 3.28Å; C163-A167 WeakPolarHBondContact O-CB 3.49Å; C163-A167 PolarHBondContact O-N 3.27Å; A167-C170 WeakPolarHBondContact O-CB 3.49Å; A167-C170 PolarHBondContact O-N 3.37Å; A167-S171 PolarHBondContact O-N 2.88Å; A167-S171 PolarHBondContact O-OG 2.99Å; A167-S171 VanDerWaalsContact O-OG 3.06Å
168	E	79.9	Confident	79.5	Confident	72 Å²	72	56.3 Å²	56.3	34%	0.336	31%	0.312	S	S	.	.	H	α-helix	trans	-73.1	-40.3	174.6	-161.2	173.3	127.5	0	0	111.8	Y159 Y164 M165 C170 S171 K172	Y159-E168 HydrophobicContact CE1-CB 3.91Å; Y159-E168 HydrophobicContact CE1-CG 4.31Å; Y159-E168 PolarHBondContact OH-OE1 2.91Å; Y164-E168 WeakPolarHBondContact O-CB 3.31Å; Y164-E168 PolarHBondContact O-N 2.93Å; M165-E168 PolarHBondContact O-N 2.85Å; E168-C170 VanDerWaalsContact C-N 3.29Å; E168-C170 PolarHBondContact O-N 3.44Å; E168-S171 PolarHBondContact O-N 3.2Å; E168-S171 PolarHBondContact O-OG 3.23Å; E168-K172 HydrophobicContact CG-CD 4.06Å; E168-K172 WeakPolarHBondContact O-CB 3.24Å; E168-K172 WeakPolarHBondContact O-CG 3.26Å; E168-K172 PolarHBondContact O-N 3.38Å; E168-K172 WeakPolarHBondContact OE1-CE 3.48Å; E168-K172 IonicContact OE1-NZ 3.93Å; E168-K172 PolarHBondContact OE1-NZ 3.37Å
169	A	80.5	Confident	80	Confident	0 Å²	0	55.2 Å²	55.2	0%	0	31%	0.305	C	S	.	.	H	α-helix	trans	-53.1	-48	167.7	0	0	0	0	0	111.3	Q125 M165 D166 K172 G173 V174 I176	Q125-A169 HydrophobicContact CB-CB 4.47Å; Q125-A169 HydrophobicContact CG-CB 4.18Å; M165-A169 WeakPolarHBondContact O-CB 3.25Å; M165-A169 PolarHBondContact O-N 3.07Å; D166-A169 WeakPolarHBondContact O-CB 3.34Å; D166-A169 PolarHBondContact O-N 2.92Å; A169-K172 PolarHBondContact O-N 3.04Å; A169-G173 PolarHBondContact O-N 3.38Å; A169-V174 CarbonylContact C-O 3.6Å; A169-V174 VanDerWaalsContact CB-O 3.27Å; A169-V174 WeakPolarHBondContact CB-O 3.34Å; A169-V174 PolarHBondContact O-N 3Å; A169-V174 VanDerWaalsContact O-O 3.12Å; A169-I176 HydrophobicContact CB-CB 4.12Å; A169-I176 HydrophobicContact CB-CD1 3.82Å; A169-I176 HydrophobicContact CB-CG1 3.9Å
170	C	79.3	Confident	80.4	Confident	1 Å²	1	61 Å²	61	1%	0.007	34%	0.342	C	S	.	.	H	α-helix	trans	-57.1	-59.6	177.1	-169.8	0	0	0	0	111.8	Q124 Q125 C140 D166 A167 E168 K172 G173	Q124-C170 PolarHBondContact NE2-O 2.7Å; Q125-C170 VanDerWaalsContact O-CA 3.26Å; Q125-C170 WeakPolarHBondContact O-CA 3.45Å; Q125-C170 WeakPolarHBondContact O-CB 3.48Å; Q125-C170 PolarHBondContact O-N 2.92Å; C140-C170 WeakPolarHBondContact CA-SG 3.26Å; C140-C170 HydrophobicContact CB-CB 3.67Å; C140-C170 WeakPolarHBondContact CB-SG 3.35Å; C140-C170 WeakPolarHBondContact SG-CB 3.19Å; C140-C170 CovalentContact SG-SG 2.04Å; C140-C170 PolarHBondContact SG-SG 3.41Å; D166-C170 WeakPolarHBondContact O-CB 3.39Å; D166-C170 PolarHBondContact O-N 3Å; A167-C170 WeakPolarHBondContact O-CB 3.49Å; A167-C170 PolarHBondContact O-N 3.37Å; E168-C170 VanDerWaalsContact C-N 3.29Å; E168-C170 PolarHBondContact O-N 3.44Å; C170-K172 PolarHBondContact O-N 3.27Å; C170-K172 VanDerWaalsContact O-N 3.17Å; C170-G173 PolarHBondContact O-N 3.45Å
171	S	76.7	Confident	80.3	Confident	87 Å²	87	58.7 Å²	58.7	61%	0.608	34%	0.341	S	S	*	.	H	α-helix	trans	-63	-24.5	-174.8	53.9	0	0	0	0	113.9	C140 A167 E168	C140-S171 PolarHBondContact SG-N 2.91Å; C140-S171 VanDerWaalsContact SG-N 3.45Å; A167-S171 PolarHBondContact O-N 2.88Å; A167-S171 PolarHBondContact O-OG 2.99Å; A167-S171 VanDerWaalsContact O-OG 3.06Å; E168-S171 PolarHBondContact O-N 3.2Å; E168-S171 PolarHBondContact O-OG 3.23Å
172	K	77.6	Confident	79.5	Confident	101 Å²	101	68.1 Å²	68.1	44%	0.439	38%	0.375	S	S	.	.	H	α-helix	trans	-89.7	-7.2	173	-70	175.9	175.9	175	0	114.4	E168 A169 C170 V174	E168-K172 HydrophobicContact CG-CD 4.06Å; E168-K172 WeakPolarHBondContact O-CB 3.24Å; E168-K172 WeakPolarHBondContact O-CG 3.26Å; E168-K172 PolarHBondContact O-N 3.38Å; E168-K172 WeakPolarHBondContact OE1-CE 3.48Å; E168-K172 IonicContact OE1-NZ 3.93Å; E168-K172 PolarHBondContact OE1-NZ 3.37Å; A169-K172 PolarHBondContact O-N 3.04Å; C170-K172 PolarHBondContact O-N 3.27Å; C170-K172 VanDerWaalsContact O-N 3.17Å; K172-V174 HydrophobicContact CB-CG2 3.89Å
173	G	74.8	Confident	78	Confident	55 Å²	55	73.7 Å²	73.7	57%	0.567	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	70.5	25.9	-179.2	0	0	0	0	0	114.6	A169 C170	A169-G173 PolarHBondContact O-N 3.38Å; C170-G173 PolarHBondContact O-N 3.45Å
174	V	77.9	Confident	76	Confident	72 Å²	72	79 Å²	79	44%	0.436	42%	0.417	S	S	.	.			trans	-121.8	158.5	-174.7	-64.4	0	0	0	0	112	A169 K172 I176	A169-V174 CarbonylContact C-O 3.6Å; A169-V174 VanDerWaalsContact CB-O 3.27Å; A169-V174 WeakPolarHBondContact CB-O 3.34Å; A169-V174 PolarHBondContact O-N 3Å; A169-V174 VanDerWaalsContact O-O 3.12Å; K172-V174 HydrophobicContact CB-CG2 3.89Å; V174-I176 HydrophobicContact CG2-CD1 4.04Å; V174-I176 HydrophobicContact CG2-CG1 3.99Å
175	S	80.4	Confident	74.1	Confident	101 Å²	101	82.3 Å²	82.3	71%	0.706	44%	0.44	S	S	*	.			trans	-98.1	129	169.2	52.8	0	0	0	0	110.7	Q125	Q125-S175 VanDerWaalsContact OE1-CA 3.32Å
176	I	83.3	Confident	71.8	Confident	9 Å²	9	87 Å²	87	5%	0.046	47%	0.474	C	S	.	.			trans	-125.3	117.7	-177.1	-61.7	176.6	0	0	0	108	Q125 A153 M165 A169 V174	Q125-I176 PolarHBondContact NE2-O 3.02Å; Q125-I176 PolarHBondContact OE1-O 3.42Å; A153-I176 HydrophobicContact CB-CG2 3.53Å; M165-I176 HydrophobicContact CG-CB 4.48Å; M165-I176 HydrophobicContact CG-CG2 3.88Å; M165-I176 HydrophobicContact SD-CG2 4.08Å; A169-I176 HydrophobicContact CB-CB 4.12Å; A169-I176 HydrophobicContact CB-CD1 3.82Å; A169-I176 HydrophobicContact CB-CG1 3.9Å; V174-I176 HydrophobicContact CG2-CD1 4.04Å; V174-I176 HydrophobicContact CG2-CG1 3.99Å
177	T	83.7	Confident	69.1	Low	91 Å²	91	97.2 Å²	97.2	56%	0.558	51%	0.51	S	S	*	.			trans	-92.2	147.5	179.6	56	0	0	0	0	111.5	A153 S154	A153-T177 CarbonylContact C-O 3.27Å; A153-T177 WeakPolarHBondContact CA-O 3.49Å; S154-T177 WeakPolarHBondContact CB-O 3.39Å; S154-T177 VanDerWaalsContact CB-OG1 3.27Å; S154-T177 WeakPolarHBondContact CB-OG1 3.45Å; S154-T177 PolarHBondContact N-O 2.91Å; S154-T177 PolarHBondContact OG-N 3.1Å; S154-T177 PolarHBondContact OG-OG1 3.08Å
178	E	85.8	Confident	67.4	Low	113 Å²	113	101.6 Å²	101.6	53%	0.528	54%	0.536	S	S	.	.	B	Isolated β-bridge	trans	-74.8	134	176.1	-179.5	174.4	170.1	0	0	110.2	T151 C152 K162 M165	T151-E178 HydrophobicContact CG2-CB 4.45Å; T151-E178 HydrophobicContact CG2-CG 3.77Å; C152-E178 WeakPolarHBondContact O-CA 3.4Å; K162-E178 IonicContact NZ-OE2 3.68Å; K162-E178 PolarHBondContact NZ-OE2 3.16Å; M165-E178 HydrophobicContact CE-CB 4.49Å
179	V	85.4	Confident	65.6	Low	62 Å²	62	105.3 Å²	105.3	38%	0.376	56%	0.559	S	S	.	*			trans	-132.4	157.6	-178.4	-54.2	0	0	0	0	111.2	C152 A153 C181	C152-V179 HydrophobicContact CB-CG2 4.25Å; C152-V179 WeakPolarHBondContact CB-O 3.02Å; C152-V179 PolarHBondContact O-N 2.75Å; A153-V179 WeakPolarHBondContact O-CG2 3.3Å; V179-C181 PolarHBondContact O-N 2.81Å
180	T	81.8	Confident	63.3	Low	136 Å²	136	111.4 Å²	111.4	83%	0.834	60%	0.596	S	S	*	*			trans	-67.7	120.1	179.7	52.8	0	0	0	0	111.9	R182	T180-R182 PolarHBondContact O-N 2.84Å
181	C	71.3	Confident	61	Low	53 Å²	53	116.7 Å²	116.7	36%	0.358	63%	0.633	S	S	.	*			trans	-56.1	125	177.2	-66.1	0	0	0	0	113.2	C152 V179 Y183	C152-C181 HydrophobicContact CB-CB 3.96Å; C152-C181 WeakPolarHBondContact CB-SG 3.4Å; C152-C181 WeakPolarHBondContact SG-CA 2.97Å; C152-C181 WeakPolarHBondContact SG-CB 3.33Å; C152-C181 CovalentContact SG-SG 2.03Å; C152-C181 PolarHBondContact SG-SG 3.08Å; V179-C181 PolarHBondContact O-N 2.81Å; C181-Y183 HydrophobicContact CB-CE2 4.37Å; C181-Y183 PolarHBondContact O-N 3.27Å
182	R	63.3	Low	59.5	Low	211 Å²	211	118.4 Å²	118.4	80%	0.796	64%	0.642	S	S	*	*			trans	-93.2	93.8	178.4	-166.1	-179.2	-165.8	175.1	4.9	111.2	T180 H184	T180-R182 PolarHBondContact O-N 2.84Å; R182-H184 PolarHBondContact O-N 3.15Å
183	Y	50	Low	57.9	Low	203 Å²	203	121.3 Å²	121.3	80%	0.796	66%	0.661	S	S	*	*			trans	-67.8	121.8	174.9	-85.3	-93.3	0	0	0	112.1	C181	C181-Y183 HydrophobicContact CB-CE2 4.37Å; C181-Y183 PolarHBondContact O-N 3.27Å
184	H	37.8	Very low	56.3	Low	141 Å²	141	124.2 Å²	124.2	65%	0.653	67%	0.67	S	S	*	*			trans	-103.8	99	169.1	-81.2	-98.9	0	0	0	110.1	R182	R182-H184 PolarHBondContact O-N 3.15Å
185	L	40.3	Very low	54.6	Low	169 Å²	169	127.6 Å²	127.6	89%	0.885	69%	0.69	S	S	*	*			trans	-93.5	116.8	165.4	-74.4	165.9	0	0	0	108.4
186	S	35.3	Very low	53.1	Low	100 Å²	100	131.3 Å²	131.3	70%	0.699	70%	0.697	S	S	*	*			trans	-152.8	99	-179.3	61.2	0	0	0	0	115.3
187	W	25.2	Very low	50.8	Low	250 Å²	250	137 Å²	137	95%	0.947	73%	0.732	S	S	*	*			trans	-150.7	139.8	140.1	-99.6	86.9	0	0	0	106.7
188	P	45.5	Very low	48.6	Very low	106 Å²	106	138.5 Å²	138.5	69%	0.688	74%	0.741	S	S	*	*	S	Bend	cis	-114.8	143.2	-4.3	12.6	10.9	0	0	0	115.2
189	N	41.6	Very low	46	Very low	150 Å²	150	141.2 Å²	141.2	80%	0.802	76%	0.758	S	S	*	*			trans	34.2	117.3	136.2	-156.7	5	0	0	0	122.1
190	T	32.3	Very low	43.8	Very low	128 Å²	128	146.7 Å²	146.7	79%	0.785	78%	0.779	S	S	*	*			trans	-167.1	146.6	137.5	4.5	0	0	0	0	113.1
191	S	31.2	Very low	42	Very low	113 Å²	113	145.6 Å²	145.6	79%	0.79	77%	0.774	S	S	*	*	S	Bend	trans	74.2	156.7	166.3	-62.9	0	0	0	0	118.3
192	P	44.2	Very low	40.2	Very low	123 Å²	123	148.8 Å²	148.8	80%	0.799	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-100.9	169.5	-141	38.5	-38.4	0	0	0	117.7
193	I	45.8	Very low	38.8	Very low	161 Å²	161	144.8 Å²	144.8	83%	0.826	79%	0.792	S	S	*	*	P	Polyproline II helix	trans	-76.6	134.1	-176.6	-58.9	166.7	0	0	0	112
194	P	39.3	Very low	38.1	Very low	116 Å²	116	139.1 Å²	139.1	75%	0.753	79%	0.787	S	S	*	*	P	Polyproline II helix	trans	-75.8	150.7	166.9	-13.3	29.7	0	0	0	113.1
195	V	43	Very low	38	Very low	143 Å²	143	139.6 Å²	139.6	87%	0.867	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-71.2	146.4	-174.7	-177.9	0	0	0	0	112.7
196	E	49.3	Very low	37.8	Very low	180 Å²	180	138.7 Å²	138.7	84%	0.841	79%	0.785	S	S	*	*	P	Polyproline II helix	trans	-61.6	146	176.4	-61.9	177.4	99	0	0	114.2
197	T	34	Very low	37.8	Very low	128 Å²	128	139.6 Å²	139.6	79%	0.785	79%	0.786	S	S	*	*			trans	-138	82	154.3	52.2	0	0	0	0	111.7
198	T	38.1	Very low	38.3	Very low	123 Å²	123	133.9 Å²	133.9	76%	0.755	78%	0.779	S	S	*	*			trans	57	124.8	138.5	54.6	0	0	0	0	122.2
199	L	32.4	Very low	37.9	Very low	169 Å²	169	134.3 Å²	134.3	89%	0.885	77%	0.774	S	S	*	*			trans	84.8	107.1	146.5	-64.1	168.3	0	0	0	120.6
200	H	38.8	Very low	38.1	Very low	177 Å²	177	132.3 Å²	132.3	82%	0.819	77%	0.77	S	S	*	*			trans	-68.1	172.3	140.6	-67.7	-50.6	0	0	0	111.1
201	P	43.2	Very low	38.9	Very low	113 Å²	113	131.7 Å²	131.7	73%	0.734	77%	0.766	S	S	*	*			cis	-114.5	-163.6	-2	38.3	-21	0	0	0	111
202	T	34.8	Very low	40.2	Very low	120 Å²	120	130.6 Å²	130.6	74%	0.736	75%	0.751	S	S	*	*			cis	-152.3	161.5	7.4	-17.1	0	0	0	0	105.9
203	T	32.3	Very low	41.2	Very low	128 Å²	128	128.2 Å²	128.2	79%	0.785	73%	0.731	S	S	*	*			cis	-149.3	156.7	9.3	-44	0	0	0	0	108.7
204	A	34.8	Very low	42.8	Very low	83 Å²	83	125.1 Å²	125.1	69%	0.686	71%	0.713	S	S	*	*			trans	-112.3	136.8	163.2	0	0	0	0	0	110.2	Q206	A204-Q206 PolarHBondContact O-N 2.97Å
205	L	36.3	Very low	44.6	Very low	151 Å²	151	124.9 Å²	124.9	79%	0.791	71%	0.705	S	S	*	*			trans	-75.9	112.5	177.3	-150.3	162.4	0	0	0	108.3	T207	L205-T207 PolarHBondContact O-N 3.35Å
206	Q	37.4	Very low	46.6	Very low	151 Å²	151	118.6 Å²	118.6	71%	0.706	67%	0.667	S	S	*	*			trans	-66.2	124.9	-164.4	-69.7	170.6	-33.5	0	0	112.8	A204 T208	A204-Q206 PolarHBondContact O-N 2.97Å; Q206-T208 PolarHBondContact O-N 3.12Å
207	T	35.2	Very low	48.2	Very low	119 Å²	119	111.9 Å²	111.9	73%	0.73	64%	0.642	S	S	*	*			trans	-55.5	128.2	145.5	-48.5	0	0	0	0	107.4	L205 I209	L205-T207 PolarHBondContact O-N 3.35Å; T207-I209 VanDerWaalsContact C-N 3.27Å; T207-I209 PolarHBondContact O-N 2.97Å
208	T	35	Very low	50.5	Low	130 Å²	130	107.4 Å²	107.4	80%	0.798	61%	0.613	S	S	*	*			trans	-72	83	-177.6	52.5	0	0	0	0	111.7	Q206	Q206-T208 PolarHBondContact O-N 3.12Å
209	I	37.6	Very low	52.2	Low	115 Å²	115	107.3 Å²	107.3	59%	0.59	60%	0.604	S	S	*	*			trans	-53.6	152.4	150.3	-64.5	171	0	0	0	107.7	T207 T211	T207-I209 VanDerWaalsContact C-N 3.27Å; T207-I209 PolarHBondContact O-N 2.97Å; I209-T211 HydrophobicContact CG2-CG2 4.34Å; I209-T211 PolarHBondContact O-N 3.34Å
210	P	45.3	Very low	54	Low	108 Å²	108	101 Å²	101	70%	0.701	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.3	20.5	-168	-24.4	36.6	0	0	0	118.1
211	T	49.2	Very low	54.8	Low	115 Å²	115	96.3 Å²	96.3	71%	0.706	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-101.7	0.2	-163.9	42.5	0	0	0	0	116.3	I209	I209-T211 HydrophobicContact CG2-CG2 4.34Å; I209-T211 PolarHBondContact O-N 3.34Å
212	D	57.2	Low	55.9	Low	90 Å²	90	93.8 Å²	93.8	48%	0.481	54%	0.542	S	S	.	.	S	Bend	trans	-130.3	25.9	170.1	-157.4	30.9	0	0	0	113.2	Q214 K242	D212-Q214 PolarHBondContact O-N 2.95Å; D212-K242 VanDerWaalsContact O-CB 3.3Å; D212-K242 WeakPolarHBondContact O-CB 3.44Å; D212-K242 VanDerWaalsContact OD1-CD 3.27Å; D212-K242 WeakPolarHBondContact OD1-CD 3.22Å; D212-K242 IonicContact OD1-NZ 3.28Å; D212-K242 PolarHBondContact OD1-NZ 3.16Å; D212-K242 WeakPolarHBondContact OD2-CD 3.49Å; D212-K242 IonicContact OD2-NZ 2.77Å; D212-K242 PolarHBondContact OD2-NZ 2.71Å
213	I	66.1	Low	57.2	Low	73 Å²	73	93.8 Å²	93.8	37%	0.374	54%	0.536	S	S	.	.			trans	-85.1	91.9	170.5	-58.9	177.9	0	0	0	108.3	K242 V298	I213-K242 WeakPolarHBondContact CA-O 3.22Å; I213-V298 HydrophobicContact CD1-CG2 4.44Å; I213-V298 HydrophobicContact CG2-CG2 4.25Å
214	Q	79.2	Confident	59	Low	95 Å²	95	93.3 Å²	93.3	44%	0.444	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	117.4	175	-174.7	-177.3	-5.7	0	0	109.5	D212 K242 N297	D212-Q214 PolarHBondContact O-N 2.95Å; Q214-K242 HydrophobicContact CB-CB 3.78Å; Q214-K242 HydrophobicContact CB-CD 4.28Å; Q214-K242 HydrophobicContact CB-CG 3.97Å; Q214-K242 PolarHBondContact N-O 2.96Å; Q214-K242 VanDerWaalsContact N-O 3.13Å; Q214-K242 PolarHBondContact O-N 2.66Å; Q214-N297 PolarHBondContact O-ND2 3.33Å
215	L	77.4	Confident	61.1	Low	112 Å²	112	91.9 Å²	91.9	59%	0.586	50%	0.502	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-53.2	148.3	174.5	-90.7	69	0	0	0	111.1	A217	L215-A217 PolarHBondContact O-N 3.28Å
216	P	85.6	Confident	63.2	Low	11 Å²	11	89 Å²	89	7%	0.071	49%	0.487	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	134.1	-179.6	31.8	-33.9	0	0	0	110	S240 P245 A295 V302	P216-S240 CarbonylContact C-O 3.5Å; P216-S240 VanDerWaalsContact CA-O 3.28Å; P216-S240 WeakPolarHBondContact CA-O 3.3Å; P216-P245 HydrophobicContact CB-CB 3.99Å; P216-P245 HydrophobicContact CB-CG 4.25Å; P216-A295 WeakPolarHBondContact CG-O 3.44Å; P216-V302 HydrophobicContact CB-CG1 3.93Å; P216-V302 HydrophobicContact CG-CB 4.38Å; P216-V302 HydrophobicContact CG-CG1 4.06Å; P216-V302 WeakPolarHBondContact O-CB 3.48Å; P216-V302 WeakPolarHBondContact O-CG1 3.41Å
217	A	81.5	Confident	65.2	Low	39 Å²	39	82.1 Å²	82.1	32%	0.322	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	131	178	0	0	0	0	0	109.5	L215 A239 S240	L215-A217 PolarHBondContact O-N 3.28Å; A217-A239 CarbonylContact O-C 3.58Å; A217-A239 VanDerWaalsContact O-CA 3.32Å; A217-A239 WeakPolarHBondContact O-CA 3.41Å; A217-S240 PolarHBondContact N-O 3.01Å; A217-S240 PolarHBondContact O-N 3.05Å
218	I	82.6	Confident	67.3	Low	33 Å²	33	79.9 Å²	79.9	17%	0.169	44%	0.435	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	119.5	175.1	-65.5	165	0	0	0	107.6	N220 E238 A239 A295 V302	I218-N220 WeakPolarHBondContact CG2-OD1 3.35Å; I218-E238 WeakPolarHBondContact CA-O 3.34Å; I218-A239 HydrophobicContact CG1-CB 4.11Å; I218-A295 HydrophobicContact CD1-CB 4.45Å; I218-A295 HydrophobicContact CG1-CB 4.33Å; I218-V302 HydrophobicContact CD1-CG1 3.88Å; I218-V302 HydrophobicContact CG1-CG1 3.8Å
219	H	74.1	Confident	69.5	Low	122 Å²	122	76.3 Å²	76.3	57%	0.565	41%	0.413	S	S	*	.			trans	-86.6	-29	-175	-67.8	-68.7	0	0	0	113.5	E238 S240	H219-E238 PolarHBondContact N-O 3.12Å; H219-S240 WeakPolarHBondContact NE2-CB 3.17Å; H219-S240 PolarHBondContact NE2-OG 2.79Å
220	N	70.9	Confident	71.3	Confident	36 Å²	36	72.6 Å²	72.6	19%	0.193	40%	0.403	C	S	.	.	S	Bend	trans	-91.7	137.1	-175.3	65.7	-10	0	0	0	112.1	I218 L236 E238	I218-N220 WeakPolarHBondContact CG2-OD1 3.35Å; N220-L236 PolarHBondContact ND2-O 2.86Å; N220-E238 HydrophobicContact CB-CB 4.08Å; N220-E238 PolarHBondContact ND2-N 2.82Å; N220-E238 PolarHBondContact OD1-N 3.19Å
221	S	54.8	Low	72.8	Confident	78 Å²	78	71.2 Å²	71.2	55%	0.545	39%	0.387	S	S	.	.			trans	-74.9	147.4	-175.7	53.2	0	0	0	0	111.8	I223	S221-I223 PolarHBondContact O-N 3.37Å
222	P	66.3	Low	74.2	Confident	61 Å²	61	69.1 Å²	69.1	40%	0.396	37%	0.374	S	S	.	.			trans	-73.6	75.9	175.4	28.9	-33.4	0	0	0	111.5	K224 H305 F306	P222-K224 PolarHBondContact O-N 2.85Å; P222-H305 WeakPolarHBondContact CB-O 3.49Å; P222-F306 HydrophobicContact CB-CD1 4.19Å; P222-F306 HydrophobicContact CB-CE1 4.36Å; P222-F306 HydrophobicContact CB-CG 4.3Å
223	I	62.9	Low	75.3	Confident	120 Å²	120	64.8 Å²	64.8	62%	0.615	35%	0.351	S	S	*	.	P	Polyproline II helix	trans	-68.6	125.9	176	-60.4	171.9	0	0	0	108.8	S221 Q225	S221-I223 PolarHBondContact O-N 3.37Å; I223-Q225 PolarHBondContact O-N 2.83Å
224	K	70.1	Confident	76.2	Confident	117 Å²	117	63.4 Å²	63.4	51%	0.509	35%	0.348	S	S	.	.	P	Polyproline II helix	trans	-61.1	125.5	173.1	72.1	-174	-177	-175.6	0	109.8	P222 P307 E378	P222-K224 PolarHBondContact O-N 2.85Å; K224-P307 WeakPolarHBondContact CA-O 3.22Å; K224-P307 HydrophobicContact CB-CB 4.24Å; K224-P307 HydrophobicContact CB-CG 4.28Å; K224-E378 IonicContact NZ-OE1 2.59Å; K224-E378 PolarHBondContact NZ-OE1 3Å
225	Q	77.8	Confident	76.6	Confident	53 Å²	53	59.3 Å²	59.3	25%	0.248	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	136	173.5	-161.5	177.1	30.1	0	0	109.9	I223 V227 S234 F235 P307 L308 A309	I223-Q225 PolarHBondContact O-N 2.83Å; Q225-V227 HydrophobicContact CG-CG1 4.09Å; Q225-S234 PolarHBondContact OE1-O 2.98Å; Q225-F235 HydrophobicContact CB-CD1 4.48Å; Q225-F235 HydrophobicContact CB-CE1 3.49Å; Q225-F235 VanDerWaalsContact CB-CE1 3.49Å; Q225-F235 HydrophobicContact CB-CZ 3.68Å; Q225-P307 PolarHBondContact N-O 3.18Å; Q225-L308 HydrophobicContact CB-CD1 4.16Å; Q225-A309 PolarHBondContact O-N 3.5Å
226	I	80.5	Confident	76.9	Confident	92 Å²	92	57.4 Å²	57.4	47%	0.472	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	123.9	176.7	-52	-179.9	0	0	0	106.9	A309 I311	I226-A309 WeakPolarHBondContact CA-O 3.09Å; I226-A309 HydrophobicContact CG1-CB 4.32Å; I226-A309 HydrophobicContact CG2-CB 4.49Å; I226-I311 HydrophobicContact CG2-CD1 3.41Å; I226-I311 VanDerWaalsContact CG2-CD1 3.41Å; I226-I311 HydrophobicContact CG2-CG1 4.01Å
227	V	80.5	Confident	76.8	Confident	6 Å²	6	57 Å²	57	4%	0.036	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	155.3	-179.2	-61.9	0	0	0	0	110.5	Q225 E231 A233 T283 L308 A309 V310 I311	Q225-V227 HydrophobicContact CG-CG1 4.09Å; V227-E231 HydrophobicContact CB-CB 4.31Å; V227-A233 HydrophobicContact CG1-CB 4.08Å; V227-A233 HydrophobicContact CG2-CB 4.34Å; V227-T283 HydrophobicContact CG2-CG2 4.15Å; V227-T283 WeakPolarHBondContact CG2-OG1 3.24Å; V227-L308 HydrophobicContact CG2-CD1 4.05Å; V227-A309 PolarHBondContact N-O 2.69Å; V227-V310 HydrophobicContact CG2-CB 4.4Å; V227-V310 HydrophobicContact CG2-CG1 4.3Å; V227-V310 HydrophobicContact CG2-CG2 3.92Å; V227-V310 CarbonylContact O-C 3.45Å; V227-V310 WeakPolarHBondContact O-CA 3.38Å; V227-I311 PolarHBondContact O-N 2.82Å
228	F	78.8	Confident	77	Confident	71 Å²	71	60.4 Å²	60.4	31%	0.311	33%	0.325	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	150.9	169.5	-63.3	-81	0	0	0	111.5	G230 E231 T283 I311 K313	F228-G230 PolarHBondContact O-N 3.21Å; F228-E231 HydrophobicContact CB-CG 4.27Å; F228-E231 WeakPolarHBondContact CD2-OE1 3.4Å; F228-E231 WeakPolarHBondContact CD2-OE2 3.3Å; F228-E231 PolarHBondContact N-OE2 3Å; F228-E231 VanDerWaalsContact O-CB 3.29Å; F228-E231 WeakPolarHBondContact O-CB 3.42Å; F228-E231 PolarHBondContact O-N 2.81Å; F228-T283 PolarHBondContact O-OG1 3.47Å; F228-I311 CarbonylContact C-O 3.56Å; F228-I311 VanDerWaalsContact CA-O 3.25Å; F228-I311 WeakPolarHBondContact CA-O 3.3Å; F228-I311 HydrophobicContact CD1-CB 4.13Å; F228-I311 HydrophobicContact CD1-CG2 4.11Å; F228-I311 HydrophobicContact CE1-CB 4.28Å; F228-I311 HydrophobicContact CE1-CG2 3.95Å; F228-K313 HydrophobicContact CD1-CB 3.79Å; F228-K313 HydrophobicContact CD1-CD 4.25Å; F228-K313 HydrophobicContact CD1-CG 3.91Å; F228-K313 HydrophobicContact CE1-CB 4.31Å; F228-K313 HydrophobicContact CE1-CG 4.08Å; F228-K313 HydrophobicContact CG-CB 4.39Å; F228-K313 HydrophobicContact CG-CD 4.22Å; F228-K313 HydrophobicContact CG-CG 4.39Å
229	V	81.6	Confident	77	Confident	56 Å²	56	59.8 Å²	59.8	34%	0.339	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.2	125.2	175.4	174.3	0	0	0	0	110.5	T283 L285 V310 I311 K312	V229-T283 CarbonylContact C-O 3.56Å; V229-T283 WeakPolarHBondContact CA-O 3.47Å; V229-L285 HydrophobicContact CG2-CD2 3.76Å; V229-L285 HydrophobicContact CG2-CG 4.06Å; V229-V310 HydrophobicContact CB-CG1 4.47Å; V229-V310 HydrophobicContact CG2-CG1 3.74Å; V229-I311 PolarHBondContact N-O 2.89Å; V229-K312 HydrophobicContact CG2-CG 4.04Å
230	G	75.7	Confident	77.5	Confident	36 Å²	36	55.7 Å²	55.7	37%	0.371	31%	0.31	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.6	-14.6	-176.4	0	0	0	0	0	115.3	F228 N282 T283	F228-G230 PolarHBondContact O-N 3.21Å; G230-N282 WeakPolarHBondContact CA-OD1 3.47Å; G230-T283 PolarHBondContact N-O 2.58Å
231	E	76.4	Confident	78	Confident	80 Å²	80	54.7 Å²	54.7	37%	0.374	31%	0.308	S	S	.	.	S	Bend	trans	-76.7	169.2	172.2	-64.1	174	173.3	0	0	110.8	V227 F228 T283 K313	V227-E231 HydrophobicContact CB-CB 4.31Å; F228-E231 HydrophobicContact CB-CG 4.27Å; F228-E231 WeakPolarHBondContact CD2-OE1 3.4Å; F228-E231 WeakPolarHBondContact CD2-OE2 3.3Å; F228-E231 PolarHBondContact N-OE2 3Å; F228-E231 VanDerWaalsContact O-CB 3.29Å; F228-E231 WeakPolarHBondContact O-CB 3.42Å; F228-E231 PolarHBondContact O-N 2.81Å; E231-T283 WeakPolarHBondContact O-CB 3.23Å; E231-T283 WeakPolarHBondContact O-CG2 3.37Å; E231-T283 PolarHBondContact O-N 3.13Å; E231-T283 PolarHBondContact O-OG1 2.98Å; E231-K313 IonicContact OE1-NZ 3.82Å
232	T	78	Confident	79	Confident	70 Å²	70	55 Å²	55	43%	0.429	30%	0.3	S	S	.	.	P	Polyproline II helix	trans	-103.5	123	179.9	-63.1	0	0	0	0	109.9	V279 I280 Y281	T232-V279 HydrophobicContact CG2-CG1 3.71Å; T232-I280 CarbonylContact C-O 3.52Å; T232-I280 WeakPolarHBondContact CA-O 3.49Å; T232-Y281 HydrophobicContact CG2-CD1 3.8Å; T232-Y281 HydrophobicContact CG2-CE1 4.08Å; T232-Y281 HydrophobicContact CG2-CG 4.49Å
233	A	81.2	Confident	79.7	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	152	172	0	0	0	0	0	110.4	V227 I280 T283 L308	V227-A233 HydrophobicContact CG1-CB 4.08Å; V227-A233 HydrophobicContact CG2-CB 4.34Å; A233-I280 HydrophobicContact CB-CB 4.33Å; A233-I280 HydrophobicContact CB-CD1 4.47Å; A233-I280 PolarHBondContact N-O 2.65Å; A233-I280 PolarHBondContact O-N 2.91Å; A233-T283 HydrophobicContact CB-CG2 3.81Å; A233-L308 HydrophobicContact CB-CD1 3.65Å; A233-L308 HydrophobicContact CB-CD2 3.98Å
234	S	84.4	Confident	80.6	Confident	44 Å²	44	58.3 Å²	58.3	31%	0.308	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.2	131.2	176.9	65.8	0	0	0	0	112.4	Q225 L278	Q225-S234 PolarHBondContact OE1-O 2.98Å; S234-L278 CarbonylContact C-O 3.32Å; S234-L278 WeakPolarHBondContact CA-O 3.39Å
235	F	86.8	Confident	81.3	Confident	9 Å²	9	53.1 Å²	53.1	4%	0.039	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	123.2	174.5	-59.3	-74.4	0	0	0	109.7	Q225 W249 Q277 L278 Y291 F306 P307 L308	Q225-F235 HydrophobicContact CB-CD1 4.48Å; Q225-F235 HydrophobicContact CB-CE1 3.49Å; Q225-F235 VanDerWaalsContact CB-CE1 3.49Å; Q225-F235 HydrophobicContact CB-CZ 3.68Å; F235-W249 HydrophobicContact CB-CH2 3.46Å; F235-W249 VanDerWaalsContact CB-CH2 3.46Å; F235-W249 HydrophobicContact CB-CZ2 4.01Å; F235-W249 HydrophobicContact CB-CZ3 4.19Å; F235-W249 HydrophobicContact CG-CH2 4.39Å; F235-W249 WeakPolarHBondContact O-CZ2 3.21Å; F235-Q277 CarbonylContact O-C 3.07Å; F235-Q277 WeakPolarHBondContact O-CA 3.29Å; F235-Q277 WeakPolarHBondContact O-CG 3.39Å; F235-L278 HydrophobicContact CD2-CD2 4.4Å; F235-L278 PolarHBondContact N-O 3.26Å; F235-L278 PolarHBondContact O-N 2.83Å; F235-Y291 HydrophobicContact CE2-CD2 4.27Å; F235-F306 HydrophobicContact CB-CB 4.42Å; F235-F306 HydrophobicContact CB-CD1 4.05Å; F235-F306 HydrophobicContact CB-CG 4.24Å; F235-F306 HydrophobicContact CD1-CB 3.7Å; F235-F306 AromaticContact CD1-CD1 3.61Å; F235-F306 HydrophobicContact CD1-CD1 3.61Å; F235-F306 HydrophobicContact CD1-CG 4.01Å; F235-F306 HydrophobicContact CD2-CB 4.22Å; F235-F306 HydrophobicContact CE1-CB 3.87Å; F235-F306 HydrophobicContact CE1-CD1 4.33Å; F235-F306 HydrophobicContact CE2-CB 4.38Å; F235-F306 HydrophobicContact CG-CB 3.87Å; F235-F306 HydrophobicContact CG-CD1 4.07Å; F235-F306 HydrophobicContact CG-CG 4.17Å; F235-F306 HydrophobicContact CZ-CB 4.21Å; F235-P307 WeakPolarHBondContact CZ-O 3.06Å; F235-L308 HydrophobicContact CE2-CB 3.98Å; F235-L308 HydrophobicContact CE2-CD1 4.36Å; F235-L308 HydrophobicContact CZ-CB 3.88Å; F235-L308 HydrophobicContact CZ-CD1 4.13Å
236	L	84.4	Confident	81.8	Confident	72 Å²	72	55.1 Å²	55.1	38%	0.377	30%	0.301	S	S	.	.			trans	-86.2	139.6	168.7	-178.8	63.3	0	0	0	108.7	N220 I275 Q277	N220-L236 PolarHBondContact ND2-O 2.86Å; L236-I275 HydrophobicContact CD1-CD1 4.28Å; L236-I275 HydrophobicContact CD1-CG1 4.46Å; L236-Q277 HydrophobicContact CB-CG 4.34Å; L236-Q277 HydrophobicContact CD1-CB 3.9Å; L236-Q277 HydrophobicContact CD1-CG 4.38Å
237	C	83.9	Confident	82.2	Confident	1 Å²	1	51.8 Å²	51.8	1%	0.007	28%	0.284	C	S	.	.			trans	-116.1	110.5	169.3	-173.1	0	0	0	0	108.8	A239 I247 W249 C293	C237-A239 PolarHBondContact O-N 2.88Å; C237-I247 HydrophobicContact CB-CG2 4.25Å; C237-I247 WeakPolarHBondContact O-CD1 3.2Å; C237-W249 HydrophobicContact CB-CH2 4.31Å; C237-W249 HydrophobicContact CB-CZ2 3.61Å; C237-C293 HydrophobicContact CB-CB 3.66Å; C237-C293 WeakPolarHBondContact CB-SG 3.32Å; C237-C293 WeakPolarHBondContact SG-CB 3.31Å; C237-C293 CovalentContact SG-SG 2.02Å; C237-C293 PolarHBondContact SG-SG 3.29Å
238	E	84.9	Confident	82.5	Confident	111 Å²	111	52.5 Å²	52.5	52%	0.519	29%	0.289	S	S	.	.			trans	-99.8	88.3	-173	-172.4	170.3	-167.9	0	0	109.8	I218 H219 N220	I218-E238 WeakPolarHBondContact CA-O 3.34Å; H219-E238 PolarHBondContact N-O 3.12Å; N220-E238 HydrophobicContact CB-CB 4.08Å; N220-E238 PolarHBondContact ND2-N 2.82Å; N220-E238 PolarHBondContact OD1-N 3.19Å
239	A	83.4	Confident	83	Confident	20 Å²	20	49.2 Å²	49.2	17%	0.165	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	122.6	-175.1	0	0	0	0	0	112.6	A217 I218 C237 P245 I247 A295	A217-A239 CarbonylContact O-C 3.58Å; A217-A239 VanDerWaalsContact O-CA 3.32Å; A217-A239 WeakPolarHBondContact O-CA 3.41Å; I218-A239 HydrophobicContact CG1-CB 4.11Å; C237-A239 PolarHBondContact O-N 2.88Å; A239-P245 HydrophobicContact CB-CG 3.81Å; A239-I247 HydrophobicContact CB-CD1 4.15Å; A239-I247 HydrophobicContact CB-CG1 4.24Å; A239-A295 HydrophobicContact CB-CB 3.41Å; A239-A295 VanDerWaalsContact CB-CB 3.41Å
240	S	83.7	Confident	83.2	Confident	36 Å²	36	48.6 Å²	48.6	25%	0.252	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	153.9	168.3	74.4	0	0	0	0	111.3	P216 A217 H219	P216-S240 CarbonylContact C-O 3.5Å; P216-S240 VanDerWaalsContact CA-O 3.28Å; P216-S240 WeakPolarHBondContact CA-O 3.3Å; A217-S240 PolarHBondContact N-O 3.01Å; A217-S240 PolarHBondContact O-N 3.05Å; H219-S240 WeakPolarHBondContact NE2-CB 3.17Å; H219-S240 PolarHBondContact NE2-OG 2.79Å
241	G	81.1	Confident	83.6	Confident	15 Å²	15	48.4 Å²	48.4	16%	0.155	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	178	169.2	168.7	0	0	0	0	0	110.7	P243 Q244	G241-P243 CarbonylContact C-O 3.46Å; G241-P243 CarbonylContact O-C 3.55Å; G241-P243 VanDerWaalsContact O-C 3.32Å; G241-Q244 WeakPolarHBondContact O-CA 3.28Å; G241-Q244 PolarHBondContact O-N 2.83Å
242	K	76.3	Confident	83.5	Confident	86 Å²	86	48.3 Å²	48.3	37%	0.374	26%	0.256	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	118.7	173.3	-65.5	-177.2	179.1	-175.5	0	110.1	D212 I213 Q214 N297	D212-K242 VanDerWaalsContact O-CB 3.3Å; D212-K242 WeakPolarHBondContact O-CB 3.44Å; D212-K242 VanDerWaalsContact OD1-CD 3.27Å; D212-K242 WeakPolarHBondContact OD1-CD 3.22Å; D212-K242 IonicContact OD1-NZ 3.28Å; D212-K242 PolarHBondContact OD1-NZ 3.16Å; D212-K242 WeakPolarHBondContact OD2-CD 3.49Å; D212-K242 IonicContact OD2-NZ 2.77Å; D212-K242 PolarHBondContact OD2-NZ 2.71Å; I213-K242 WeakPolarHBondContact CA-O 3.22Å; Q214-K242 HydrophobicContact CB-CB 3.78Å; Q214-K242 HydrophobicContact CB-CD 4.28Å; Q214-K242 HydrophobicContact CB-CG 3.97Å; Q214-K242 PolarHBondContact N-O 2.96Å; Q214-K242 VanDerWaalsContact N-O 3.13Å; Q214-K242 PolarHBondContact O-N 2.66Å; K242-N297 PolarHBondContact N-ND2 3.4Å; K242-N297 PolarHBondContact O-ND2 2.92Å
243	P	81.8	Confident	83.1	Confident	76 Å²	76	48.7 Å²	48.7	49%	0.494	26%	0.255	S	S	.	.	S	Bend	cis	-57.3	165.2	-13	-20.9	34.5	0	0	0	112.5	G241 N297 V298	G241-P243 CarbonylContact C-O 3.46Å; G241-P243 CarbonylContact O-C 3.55Å; G241-P243 VanDerWaalsContact O-C 3.32Å; P243-N297 VanDerWaalsContact O-CB 3.26Å; P243-N297 WeakPolarHBondContact O-CB 3.47Å; P243-N297 PolarHBondContact O-ND2 2.92Å; P243-V298 HydrophobicContact CG-CG2 4.24Å
244	Q	81.6	Confident	81.7	Confident	173 Å²	173	58.4 Å²	58.4	81%	0.808	30%	0.297	S	S	*	.	P	Polyproline II helix	trans	-55.5	132.2	178.3	-173.9	179	4.1	0	0	110.8	G241	G241-Q244 WeakPolarHBondContact O-CA 3.28Å; G241-Q244 PolarHBondContact O-N 2.83Å
245	P	85.3	Confident	80	Confident	9 Å²	9	60.2 Å²	60.2	6%	0.058	32%	0.324	C	S	.	.	P	Polyproline II helix	trans	-75.4	141.7	-176.1	27.6	-33.2	0	0	0	113.7	P216 A239 A295 R296 N297	P216-P245 HydrophobicContact CB-CB 3.99Å; P216-P245 HydrophobicContact CB-CG 4.25Å; A239-P245 HydrophobicContact CB-CG 3.81Å; P245-A295 HydrophobicContact CB-CB 4.11Å; P245-A295 HydrophobicContact CG-CB 4.35Å; P245-R296 CarbonylContact C-O 3.5Å; P245-R296 VanDerWaalsContact CA-O 3.24Å; P245-R296 WeakPolarHBondContact CA-O 3.23Å; P245-N297 HydrophobicContact CB-CB 4.35Å
246	E	87.4	Confident	78.4	Confident	94 Å²	94	68 Å²	68	44%	0.439	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.1	126.6	162.8	-174	-172.5	169.2	0	0	108.4	T248 R262 A295 R296	E246-T248 HydrophobicContact CG-CG2 4.3Å; E246-R262 IonicContact OE1-NE 2.64Å; E246-A295 WeakPolarHBondContact O-CA 3.46Å; E246-R296 PolarHBondContact N-O 2.81Å; E246-R296 PolarHBondContact O-N 2.71Å
247	I	88.5	Confident	76.9	Confident	22 Å²	22	71.8 Å²	71.8	11%	0.113	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	128	177	-64.8	168.9	0	0	0	109.2	C237 A239 P263 A295	C237-I247 HydrophobicContact CB-CG2 4.25Å; C237-I247 WeakPolarHBondContact O-CD1 3.2Å; A239-I247 HydrophobicContact CB-CD1 4.15Å; A239-I247 HydrophobicContact CB-CG1 4.24Å; I247-P263 WeakPolarHBondContact O-CD 3.47Å; I247-A295 HydrophobicContact CG1-CB 4.33Å
248	T	87.6	Confident	75.9	Confident	22 Å²	22	74.7 Å²	74.7	14%	0.135	39%	0.394	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	154.3	176.3	59.5	0	0	0	0	110.1	E246 I260 R262 T294	E246-T248 HydrophobicContact CG-CG2 4.3Å; T248-I260 HydrophobicContact CG2-CG2 4.4Å; T248-R262 HydrophobicContact CG2-CG 4.15Å; T248-T294 PolarHBondContact N-O 3.1Å; T248-T294 PolarHBondContact O-N 3.29Å; T248-T294 PolarHBondContact OG1-O 2.88Å; T248-T294 VanDerWaalsContact OG1-O 3.1Å
249	W	88.5	Confident	75	Confident	1 Å²	1	72.8 Å²	72.8	0%	0.004	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	141.3	178.3	-74.2	90.6	0	0	0	110.9	F235 C237 M261 V272 G276 L278 T292 C293 F306	F235-W249 HydrophobicContact CB-CH2 3.46Å; F235-W249 VanDerWaalsContact CB-CH2 3.46Å; F235-W249 HydrophobicContact CB-CZ2 4.01Å; F235-W249 HydrophobicContact CB-CZ3 4.19Å; F235-W249 HydrophobicContact CG-CH2 4.39Å; F235-W249 WeakPolarHBondContact O-CZ2 3.21Å; C237-W249 HydrophobicContact CB-CH2 4.31Å; C237-W249 HydrophobicContact CB-CZ2 3.61Å; W249-M261 HydrophobicContact CB-CB 4.34Å; W249-M261 HydrophobicContact CB-CE 4.03Å; W249-M261 PolarHBondContact N-O 3.29Å; W249-M261 WeakPolarHBondContact O-CB 3.47Å; W249-M261 PolarHBondContact O-N 2.84Å; W249-V272 HydrophobicContact CB-CG2 4.25Å; W249-V272 HydrophobicContact CG-CG2 4.33Å; W249-G276 PolarHBondContact NE1-O 3.26Å; W249-L278 HydrophobicContact CB-CD1 4.06Å; W249-L278 HydrophobicContact CD2-CB 3.79Å; W249-L278 HydrophobicContact CD2-CD1 4.49Å; W249-L278 HydrophobicContact CD2-CD2 4.06Å; W249-L278 HydrophobicContact CD2-CG 4.34Å; W249-L278 HydrophobicContact CE3-CB 4.29Å; W249-L278 HydrophobicContact CE3-CD2 3.88Å; W249-L278 HydrophobicContact CG-CB 4.07Å; W249-L278 HydrophobicContact CG-CD1 4.06Å; W249-L278 HydrophobicContact CG-CD2 4.41Å; W249-L278 HydrophobicContact CG-CG 4.43Å; W249-L278 HydrophobicContact CH2-CB 4.47Å; W249-L278 HydrophobicContact CZ2-CB 3.97Å; W249-L278 HydrophobicContact CZ3-CD2 4.34Å; W249-T292 WeakPolarHBondContact CA-O 3.4Å; W249-C293 HydrophobicContact CD2-CB 4.06Å; W249-C293 HydrophobicContact CE3-CB 3.96Å; W249-C293 HydrophobicContact CH2-CB 3.79Å; W249-C293 HydrophobicContact CZ2-CB 3.88Å; W249-C293 HydrophobicContact CZ3-CB 3.83Å; W249-F306 HydrophobicContact CH2-CB 4.44Å; W249-F306 HydrophobicContact CH2-CD1 4.43Å; W249-F306 AromaticContact CH2-CD2 3.42Å; W249-F306 HydrophobicContact CH2-CD2 3.42Å; W249-F306 VanDerWaalsContact CH2-CD2 3.42Å; W249-F306 AromaticContact CH2-CE2 3.65Å; W249-F306 HydrophobicContact CH2-CE2 3.65Å; W249-F306 AromaticContact CH2-CG 3.85Å; W249-F306 HydrophobicContact CH2-CG 3.85Å; W249-F306 HydrophobicContact CH2-CZ 4.25Å; W249-F306 HydrophobicContact CZ3-CB 4.18Å; W249-F306 AromaticContact CZ3-CD2 3.48Å; W249-F306 HydrophobicContact CZ3-CD2 3.48Å; W249-F306 VanDerWaalsContact CZ3-CD2 3.48Å; W249-F306 HydrophobicContact CZ3-CE2 4.09Å; W249-F306 AromaticContact CZ3-CG 3.98Å; W249-F306 HydrophobicContact CZ3-CG 3.98Å
250	E	86.9	Confident	74.7	Confident	43 Å²	43	76.4 Å²	76.4	20%	0.201	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.4	156	167.2	54.3	152.2	-145.4	0	0	110.3	N258 Y291 T292	E250-N258 HydrophobicContact CB-CB 4.39Å; E250-N258 PolarHBondContact OE2-ND2 3.46Å; E250-Y291 CarbonylContact O-C 3.56Å; E250-Y291 VanDerWaalsContact O-CA 3.28Å; E250-Y291 WeakPolarHBondContact O-CA 3.35Å; E250-T292 PolarHBondContact N-O 3.23Å; E250-T292 PolarHBondContact O-N 2.86Å; E250-T292 WeakPolarHBondContact OE1-CB 3.31Å; E250-T292 PolarHBondContact OE1-OG1 3.01Å
251	K	83.3	Confident	74.4	Confident	32 Å²	32	75.3 Å²	75.3	14%	0.139	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	126.3	163.9	-177.4	175.5	-176.6	156.4	0	108.5	L253 N258 Q286 D287 A288 Y291	K251-L253 HydrophobicContact CD-CD2 4.19Å; K251-L253 HydrophobicContact CG-CD2 4.28Å; K251-L253 PolarHBondContact O-N 2.84Å; K251-N258 PolarHBondContact O-OD1 3.06Å; K251-Q286 PolarHBondContact NZ-O 3.47Å; K251-D287 VanDerWaalsContact NZ-CA 3.31Å; K251-D287 PolarHBondContact NZ-O 2.92Å; K251-A288 WeakPolarHBondContact CE-O 3.28Å; K251-A288 PolarHBondContact NZ-O 3.11Å; K251-Y291 HydrophobicContact CB-CD1 4.02Å; K251-Y291 HydrophobicContact CB-CE1 3.83Å; K251-Y291 HydrophobicContact CD-CE1 3.95Å; K251-Y291 HydrophobicContact CD-CE2 4.42Å; K251-Y291 HydrophobicContact CG-CD1 4.37Å; K251-Y291 HydrophobicContact CG-CE1 4Å; K251-Y291 PolarHBondContact NZ-OH 2.97Å
252	Q	75.1	Confident	74.1	Confident	78 Å²	78	81.2 Å²	81.2	36%	0.364	41%	0.413	S	S	.	.			trans	-70.3	120.9	176.2	-65.7	-174.5	-1.7	0	0	110.4	I290 T292 H305	Q252-I290 HydrophobicContact CG-CB 4.48Å; Q252-I290 HydrophobicContact CG-CG2 4.44Å; Q252-I290 PolarHBondContact N-O 3.39Å; Q252-T292 PolarHBondContact NE2-OG1 3.49Å; Q252-H305 PolarHBondContact NE2-CE1 2.66Å; Q252-H305 PolarHBondContact NE2-ND1 2.84Å
253	L	68.7	Low	73.5	Confident	79 Å²	79	79.1 Å²	79.1	41%	0.414	41%	0.408	S	S	.	.			trans	-122.1	123.9	178.7	-64.4	175.6	0	0	0	110.4	K251 G255 N258	K251-L253 HydrophobicContact CD-CD2 4.19Å; K251-L253 HydrophobicContact CG-CD2 4.28Å; K251-L253 PolarHBondContact O-N 2.84Å; L253-G255 PolarHBondContact O-N 3.02Å; L253-N258 PolarHBondContact N-OD1 2.77Å
254	K	51.3	Low	72.1	Confident	203 Å²	203	82.5 Å²	82.5	88%	0.883	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	116	173.1	-77.1	-175.8	176.8	177	0	109.8
255	G	49.2	Very low	70.8	Confident	83 Å²	83	79.5 Å²	79.5	86%	0.856	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.8	15.3	167.6	0	0	0	0	0	116.7	L253	L253-G255 PolarHBondContact O-N 3.02Å
256	K	53.1	Low	69.4	Low	172 Å²	172	83.5 Å²	83.5	75%	0.748	43%	0.433	S	S	*	.	S	Bend	trans	-141.2	161.2	167.8	-74.4	-173	176.3	178.7	0	109.7	N258	K256-N258 PolarHBondContact O-N 3.34Å
257	D	53.1	Low	68.4	Low	151 Å²	151	82.8 Å²	82.8	81%	0.807	43%	0.429	S	S	*	.	P	Polyproline II helix	trans	-60.5	133.3	173.7	-57	-55.9	0	0	0	111.1	V259	D257-V259 PolarHBondContact O-N 2.93Å
258	N	63.5	Low	67.6	Low	63 Å²	63	85.4 Å²	85.4	34%	0.337	46%	0.462	S	S	.	.	P	Polyproline II helix	trans	-66.5	127.8	174.9	-72.5	-6.5	0	0	0	109.5	E250 K251 L253 K256	E250-N258 HydrophobicContact CB-CB 4.39Å; E250-N258 PolarHBondContact OE2-ND2 3.46Å; K251-N258 PolarHBondContact O-OD1 3.06Å; L253-N258 PolarHBondContact N-OD1 2.77Å; K256-N258 PolarHBondContact O-N 3.34Å
259	V	66.4	Low	67	Low	70 Å²	70	86.6 Å²	86.6	42%	0.424	47%	0.467	S	S	.	.	P	Polyproline II helix	trans	-87	123.5	177.6	-170.3	0	0	0	0	110.1	D257 Q267	D257-V259 PolarHBondContact O-N 2.93Å; V259-Q267 VanDerWaalsContact CG1-OE1 3.29Å
260	I	76.4	Confident	66.4	Low	97 Å²	97	87.2 Å²	87.2	50%	0.497	47%	0.471	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	112.1	179.7	-56.2	174.5	0	0	0	109.7	T248 R262	T248-I260 HydrophobicContact CG2-CG2 4.4Å; I260-R262 HydrophobicContact CG2-CG 4.5Å
261	M	77.8	Confident	65.9	Low	12 Å²	12	86.9 Å²	86.9	6%	0.059	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.7	173.5	-61.1	164.4	-74.6	0	0	109.1	W249 V270 V272 L278 Y291	W249-M261 HydrophobicContact CB-CB 4.34Å; W249-M261 HydrophobicContact CB-CE 4.03Å; W249-M261 PolarHBondContact N-O 3.29Å; W249-M261 WeakPolarHBondContact O-CB 3.47Å; W249-M261 PolarHBondContact O-N 2.84Å; M261-V270 HydrophobicContact SD-CB 4.29Å; M261-V270 HydrophobicContact SD-CG1 3.62Å; M261-V272 HydrophobicContact CB-CG2 3.81Å; M261-L278 HydrophobicContact CE-CD1 4.39Å; M261-L278 HydrophobicContact SD-CD1 4.19Å; M261-Y291 HydrophobicContact CE-CD1 4.29Å; M261-Y291 HydrophobicContact CE-CE1 4.43Å
262	R	74.7	Confident	65.6	Low	139 Å²	139	85.4 Å²	85.4	53%	0.525	47%	0.466	S	S	.	.			trans	-113.2	156.7	178.7	-71.9	-166.4	174.7	119.5	4.1	111	E246 T248 I260 N264 H265	E246-R262 IonicContact OE1-NE 2.64Å; T248-R262 HydrophobicContact CG2-CG 4.15Å; I260-R262 HydrophobicContact CG2-CG 4.5Å; R262-N264 PolarHBondContact O-N 3.38Å; R262-H265 WeakPolarHBondContact O-CB 3.33Å; R262-H265 PolarHBondContact O-N 2.84Å
263	P	63.1	Low	65.5	Low	42 Å²	42	83.3 Å²	83.3	27%	0.273	46%	0.458	S	S	.	.	T	Hydrogen-bonded Turn	trans	-48	139.4	169.4	-27.4	35.3	0	0	0	111.8	I247 H265 V272	I247-P263 WeakPolarHBondContact O-CD 3.47Å; P263-H265 PolarHBondContact O-N 2.74Å; P263-V272 HydrophobicContact CB-CG1 4.45Å; P263-V272 HydrophobicContact CG-CG1 4.01Å
264	N	52.4	Low	65.6	Low	147 Å²	147	86.2 Å²	86.2	79%	0.786	47%	0.474	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.5	2.1	-176.2	-45.9	-40	0	0	0	116	R262 V272	R262-N264 PolarHBondContact O-N 3.38Å; N264-V272 PolarHBondContact N-O 2.94Å
265	H	53.4	Low	66.6	Low	110 Å²	110	81.3 Å²	81.3	51%	0.509	46%	0.456	S	S	.	.			trans	-94.5	121.5	169.2	-157.3	163.2	0	0	0	109.6	R262 P263	R262-H265 WeakPolarHBondContact O-CB 3.33Å; R262-H265 PolarHBondContact O-N 2.84Å; P263-H265 PolarHBondContact O-N 2.74Å
266	V	57.9	Low	68	Low	94 Å²	94	77.5 Å²	77.5	57%	0.57	42%	0.417	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-97.5	127.3	172.8	179.5	0	0	0	0	109.1	V271	V266-V271 HydrophobicContact CG1-CG2 4.18Å; V266-V271 HydrophobicContact CG2-CG1 4.49Å; V266-V271 HydrophobicContact CG2-CG2 4.19Å
267	Q	64.4	Low	69.4	Low	79 Å²	79	71.8 Å²	71.8	37%	0.369	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	101.7	178.8	-172.8	174.8	-8	0	0	110.6	V259 N269 V270	V259-Q267 VanDerWaalsContact CG1-OE1 3.29Å; Q267-N269 PolarHBondContact O-N 2.71Å; Q267-V270 PolarHBondContact N-O 3.28Å; Q267-V270 WeakPolarHBondContact O-CB 3.01Å; Q267-V270 PolarHBondContact O-N 3.29Å
268	G	73	Confident	70.9	Confident	77 Å²	77	64.6 Å²	64.6	79%	0.794	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-119.1	-176.8	0	0	0	0	0	111.3
269	N	74	Confident	71.7	Confident	46 Å²	46	62.2 Å²	62.2	25%	0.246	34%	0.342	C	S	.	.	T	Hydrogen-bonded Turn	trans	-92.1	6	174.7	63.9	-34.7	0	0	0	114.1	Q267 Y281 D287	Q267-N269 PolarHBondContact O-N 2.71Å; N269-Y281 WeakPolarHBondContact CB-O 3.39Å; N269-Y281 PolarHBondContact ND2-O 3.4Å; N269-Y281 PolarHBondContact O-N 3.02Å; N269-D287 PolarHBondContact ND2-OD2 3.19Å
270	V	76.8	Confident	72.6	Confident	15 Å²	15	58.9 Å²	58.9	9%	0.091	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	137.1	-174.5	-166.6	0	0	0	0	111.7	M261 Q267 L278 V279 I280	M261-V270 HydrophobicContact SD-CB 4.29Å; M261-V270 HydrophobicContact SD-CG1 3.62Å; Q267-V270 PolarHBondContact N-O 3.28Å; Q267-V270 WeakPolarHBondContact O-CB 3.01Å; Q267-V270 PolarHBondContact O-N 3.29Å; V270-L278 HydrophobicContact CG1-CD1 3.46Å; V270-L278 VanDerWaalsContact CG1-CD1 3.46Å; V270-L278 HydrophobicContact CG1-CG 4.19Å; V270-V279 WeakPolarHBondContact CA-O 3.24Å; V270-I280 HydrophobicContact CG1-CG1 4.03Å; V270-I280 HydrophobicContact CG2-CG1 4.19Å; V270-I280 HydrophobicContact CG2-CG2 4.27Å
271	V	76.1	Confident	72.7	Confident	36 Å²	36	60.2 Å²	60.2	22%	0.218	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140	179.7	-175.8	0	0	0	0	110.1	V266 V279 Y281	V266-V271 HydrophobicContact CG1-CG2 4.18Å; V266-V271 HydrophobicContact CG2-CG1 4.49Å; V266-V271 HydrophobicContact CG2-CG2 4.19Å; V271-V279 PolarHBondContact N-O 3.36Å; V271-V279 PolarHBondContact O-N 3.4Å; V271-Y281 HydrophobicContact CG2-CD2 4.44Å; V271-Y281 HydrophobicContact CG2-CE2 4.01Å
272	V	77.6	Confident	72.6	Confident	1 Å²	1	64.4 Å²	64.4	1%	0.006	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.9	125.8	166.7	-179.3	0	0	0	0	109.6	W249 M261 P263 N264 Q277 L278	W249-V272 HydrophobicContact CB-CG2 4.25Å; W249-V272 HydrophobicContact CG-CG2 4.33Å; M261-V272 HydrophobicContact CB-CG2 3.81Å; P263-V272 HydrophobicContact CB-CG1 4.45Å; P263-V272 HydrophobicContact CG-CG1 4.01Å; N264-V272 PolarHBondContact N-O 2.94Å; V272-Q277 WeakPolarHBondContact CA-O 3.49Å; V272-L278 HydrophobicContact CG2-CD1 3.61Å
273	T	71.7	Confident	72.9	Confident	34 Å²	34	57.8 Å²	57.8	21%	0.209	32%	0.319	C	S	.	.			trans	-81.5	166.5	179.4	63.7	0	0	0	0	112.6	I275 G276 Q277	T273-I275 PolarHBondContact O-N 3.13Å; T273-I275 VanDerWaalsContact OG1-CG1 3.27Å; T273-I275 WeakPolarHBondContact OG1-CG1 3.27Å; T273-G276 PolarHBondContact O-N 2.98Å; T273-G276 VanDerWaalsContact O-N 3.12Å; T273-Q277 HydrophobicContact CG2-CB 4.31Å; T273-Q277 PolarHBondContact N-O 3.35Å; T273-Q277 WeakPolarHBondContact OG1-CA 3.26Å; T273-Q277 VanDerWaalsContact OG1-CB 3.27Å; T273-Q277 WeakPolarHBondContact OG1-CB 3.5Å; T273-Q277 PolarHBondContact OG1-N 3.17Å; T273-Q277 PolarHBondContact OG1-O 3.32Å; T273-Q277 VanDerWaalsContact OG1-O 3.12Å
274	N	70.8	Confident	73.7	Confident	139 Å²	139	58.7 Å²	58.7	74%	0.743	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.2	-19.5	172.7	65.8	-41.9	0	0	0	114	G276	N274-G276 VanDerWaalsContact C-N 3.33Å
275	I	73.7	Confident	74.9	Confident	101 Å²	101	55.6 Å²	55.6	52%	0.518	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.3	13.1	174.2	63.9	168	0	0	0	113	L236 T273 Q277	L236-I275 HydrophobicContact CD1-CD1 4.28Å; L236-I275 HydrophobicContact CD1-CG1 4.46Å; T273-I275 PolarHBondContact O-N 3.13Å; T273-I275 VanDerWaalsContact OG1-CG1 3.27Å; T273-I275 WeakPolarHBondContact OG1-CG1 3.27Å; I275-Q277 VanDerWaalsContact C-N 3.25Å; I275-Q277 HydrophobicContact CD1-CB 4.43Å; I275-Q277 HydrophobicContact CG1-CB 4.17Å; I275-Q277 PolarHBondContact O-N 2.87Å
276	G	77.5	Confident	76	Confident	2 Å²	2	57.4 Å²	57.4	2%	0.021	31%	0.311	C	S	.	.	S	Bend	trans	74.1	9.4	178.3	0	0	0	0	0	115	W249 T273 N274	W249-G276 PolarHBondContact NE1-O 3.26Å; T273-G276 PolarHBondContact O-N 2.98Å; T273-G276 VanDerWaalsContact O-N 3.12Å; N274-G276 VanDerWaalsContact C-N 3.33Å
277	Q	82.2	Confident	77	Confident	53 Å²	53	53.5 Å²	53.5	25%	0.248	29%	0.287	C	S	.	.			trans	-78.7	127.3	173.6	-166.5	-175	20.3	0	0	110.7	F235 L236 V272 T273 I275 V279	F235-Q277 CarbonylContact O-C 3.07Å; F235-Q277 WeakPolarHBondContact O-CA 3.29Å; F235-Q277 WeakPolarHBondContact O-CG 3.39Å; L236-Q277 HydrophobicContact CB-CG 4.34Å; L236-Q277 HydrophobicContact CD1-CB 3.9Å; L236-Q277 HydrophobicContact CD1-CG 4.38Å; V272-Q277 WeakPolarHBondContact CA-O 3.49Å; T273-Q277 HydrophobicContact CG2-CB 4.31Å; T273-Q277 PolarHBondContact N-O 3.35Å; T273-Q277 WeakPolarHBondContact OG1-CA 3.26Å; T273-Q277 VanDerWaalsContact OG1-CB 3.27Å; T273-Q277 WeakPolarHBondContact OG1-CB 3.5Å; T273-Q277 PolarHBondContact OG1-N 3.17Å; T273-Q277 PolarHBondContact OG1-O 3.32Å; T273-Q277 VanDerWaalsContact OG1-O 3.12Å; I275-Q277 VanDerWaalsContact C-N 3.25Å; I275-Q277 HydrophobicContact CD1-CB 4.43Å; I275-Q277 HydrophobicContact CG1-CB 4.17Å; I275-Q277 PolarHBondContact O-N 2.87Å; Q277-V279 HydrophobicContact CG-CG2 4.21Å
278	L	84.5	Confident	77.9	Confident	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	134.2	165.7	-172.8	72.6	0	0	0	109.4	S234 F235 W249 M261 V270 V272 I280 Y291	S234-L278 CarbonylContact C-O 3.32Å; S234-L278 WeakPolarHBondContact CA-O 3.39Å; F235-L278 HydrophobicContact CD2-CD2 4.4Å; F235-L278 PolarHBondContact N-O 3.26Å; F235-L278 PolarHBondContact O-N 2.83Å; W249-L278 HydrophobicContact CB-CD1 4.06Å; W249-L278 HydrophobicContact CD2-CB 3.79Å; W249-L278 HydrophobicContact CD2-CD1 4.49Å; W249-L278 HydrophobicContact CD2-CD2 4.06Å; W249-L278 HydrophobicContact CD2-CG 4.34Å; W249-L278 HydrophobicContact CE3-CB 4.29Å; W249-L278 HydrophobicContact CE3-CD2 3.88Å; W249-L278 HydrophobicContact CG-CB 4.07Å; W249-L278 HydrophobicContact CG-CD1 4.06Å; W249-L278 HydrophobicContact CG-CD2 4.41Å; W249-L278 HydrophobicContact CG-CG 4.43Å; W249-L278 HydrophobicContact CH2-CB 4.47Å; W249-L278 HydrophobicContact CZ2-CB 3.97Å; W249-L278 HydrophobicContact CZ3-CD2 4.34Å; M261-L278 HydrophobicContact CE-CD1 4.39Å; M261-L278 HydrophobicContact SD-CD1 4.19Å; V270-L278 HydrophobicContact CG1-CD1 3.46Å; V270-L278 VanDerWaalsContact CG1-CD1 3.46Å; V270-L278 HydrophobicContact CG1-CG 4.19Å; V272-L278 HydrophobicContact CG2-CD1 3.61Å; L278-I280 HydrophobicContact CD2-CD1 4.37Å; L278-Y291 HydrophobicContact CD2-CD1 3.39Å; L278-Y291 HydrophobicContact CD2-CE1 3.96Å; L278-Y291 HydrophobicContact CD2-CG 3.83Å
279	V	81.1	Confident	78.3	Confident	12 Å²	12	49.2 Å²	49.2	7%	0.073	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	133.5	176	-174.6	0	0	0	0	109.3	T232 V270 V271 Q277 Y281	T232-V279 HydrophobicContact CG2-CG1 3.71Å; V270-V279 WeakPolarHBondContact CA-O 3.24Å; V271-V279 PolarHBondContact N-O 3.36Å; V271-V279 PolarHBondContact O-N 3.4Å; Q277-V279 HydrophobicContact CG-CG2 4.21Å; V279-Y281 HydrophobicContact CB-CE2 4.41Å; V279-Y281 HydrophobicContact CG1-CD1 4.39Å; V279-Y281 HydrophobicContact CG1-CD2 4.29Å; V279-Y281 HydrophobicContact CG1-CE1 3.92Å; V279-Y281 HydrophobicContact CG1-CE2 3.8Å
280	I	85.1	Confident	78.7	Confident	1 Å²	1	50.1 Å²	50.1	1%	0.005	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	107.7	-179.1	-53.5	161.5	0	0	0	107.8	T232 A233 V270 L278 T283 D287 Y291 L308	T232-I280 CarbonylContact C-O 3.52Å; T232-I280 WeakPolarHBondContact CA-O 3.49Å; A233-I280 HydrophobicContact CB-CB 4.33Å; A233-I280 HydrophobicContact CB-CD1 4.47Å; A233-I280 PolarHBondContact N-O 2.65Å; A233-I280 PolarHBondContact O-N 2.91Å; V270-I280 HydrophobicContact CG1-CG1 4.03Å; V270-I280 HydrophobicContact CG2-CG1 4.19Å; V270-I280 HydrophobicContact CG2-CG2 4.27Å; L278-I280 HydrophobicContact CD2-CD1 4.37Å; I280-T283 HydrophobicContact CB-CG2 4.11Å; I280-T283 HydrophobicContact CG2-CG2 3.74Å; I280-T283 WeakPolarHBondContact O-CG2 3.42Å; I280-D287 HydrophobicContact CG2-CB 4.35Å; I280-Y291 HydrophobicContact CD1-CE1 3.98Å; I280-Y291 HydrophobicContact CD1-CE2 3.88Å; I280-L308 HydrophobicContact CD1-CD2 3.66Å
281	Y	79.9	Confident	79.1	Confident	125 Å²	125	49.6 Å²	49.6	49%	0.49	26%	0.261	S	S	.	.			trans	-83.7	151	-178.4	-64	-77.5	0	0	0	112	T232 N269 V271 V279 T283	T232-Y281 HydrophobicContact CG2-CD1 3.8Å; T232-Y281 HydrophobicContact CG2-CE1 4.08Å; T232-Y281 HydrophobicContact CG2-CG 4.49Å; N269-Y281 WeakPolarHBondContact CB-O 3.39Å; N269-Y281 PolarHBondContact ND2-O 3.4Å; N269-Y281 PolarHBondContact O-N 3.02Å; V271-Y281 HydrophobicContact CG2-CD2 4.44Å; V271-Y281 HydrophobicContact CG2-CE2 4.01Å; V279-Y281 HydrophobicContact CB-CE2 4.41Å; V279-Y281 HydrophobicContact CG1-CD1 4.39Å; V279-Y281 HydrophobicContact CG1-CD2 4.29Å; V279-Y281 HydrophobicContact CG1-CE1 3.92Å; V279-Y281 HydrophobicContact CG1-CE2 3.8Å; Y281-T283 VanDerWaalsContact C-N 3.34Å; Y281-T283 PolarHBondContact O-N 2.86Å
282	N	75.6	Confident	79.6	Confident	100 Å²	100	48 Å²	48	54%	0.535	25%	0.251	S	S	.	.	S	Bend	trans	48.3	52.3	173.3	-176.7	41.9	0	0	0	112.7	G230 Q284	G230-N282 WeakPolarHBondContact CA-OD1 3.47Å; N282-Q284 PolarHBondContact O-NE2 3.36Å
283	T	79.5	Confident	80.1	Confident	0 Å²	0	47.9 Å²	47.9	0%	0	25%	0.251	C	S	.	.			trans	-57.1	137.2	-166.4	48.8	0	0	0	0	113.2	V227 F228 V229 G230 E231 A233 I280 Y281 D287	V227-T283 HydrophobicContact CG2-CG2 4.15Å; V227-T283 WeakPolarHBondContact CG2-OG1 3.24Å; F228-T283 PolarHBondContact O-OG1 3.47Å; V229-T283 CarbonylContact C-O 3.56Å; V229-T283 WeakPolarHBondContact CA-O 3.47Å; G230-T283 PolarHBondContact N-O 2.58Å; E231-T283 WeakPolarHBondContact O-CB 3.23Å; E231-T283 WeakPolarHBondContact O-CG2 3.37Å; E231-T283 PolarHBondContact O-N 3.13Å; E231-T283 PolarHBondContact O-OG1 2.98Å; A233-T283 HydrophobicContact CB-CG2 3.81Å; I280-T283 HydrophobicContact CB-CG2 4.11Å; I280-T283 HydrophobicContact CG2-CG2 3.74Å; I280-T283 WeakPolarHBondContact O-CG2 3.42Å; Y281-T283 VanDerWaalsContact C-N 3.34Å; Y281-T283 PolarHBondContact O-N 2.86Å; T283-D287 WeakPolarHBondContact CA-OD2 3.35Å
284	Q	80.3	Confident	81	Confident	61 Å²	61	47.7 Å²	47.7	29%	0.285	25%	0.25	S	C	.	.			trans	-111.8	161.8	179.9	-60	-55.1	-49.4	0	0	110.9	N282 Q286 D287	N282-Q284 PolarHBondContact O-NE2 3.36Å; Q284-Q286 HydrophobicContact CB-CG 3.91Å; Q284-Q286 PolarHBondContact O-N 2.84Å; Q284-D287 PolarHBondContact N-OD2 3.31Å; Q284-D287 WeakPolarHBondContact O-CA 3.47Å; Q284-D287 VanDerWaalsContact O-CB 3.27Å; Q284-D287 WeakPolarHBondContact O-CB 3.46Å; Q284-D287 PolarHBondContact O-N 3.18Å
285	L	77.5	Confident	81.8	Confident	81 Å²	81	41.1 Å²	41.1	42%	0.424	22%	0.215	S	C	.	.	G	3₁₀ helix	trans	-57.7	-33.6	178.4	-69	-174.9	0	0	0	113.1	V229 D287 A288 V310 K312	V229-L285 HydrophobicContact CG2-CD2 3.76Å; V229-L285 HydrophobicContact CG2-CG 4.06Å; L285-D287 PolarHBondContact O-N 2.98Å; L285-A288 WeakPolarHBondContact O-CB 3.32Å; L285-A288 PolarHBondContact O-N 2.77Å; L285-V310 HydrophobicContact CD2-CB 4.44Å; L285-V310 HydrophobicContact CD2-CG1 4.36Å; L285-V310 WeakPolarHBondContact CD2-O 3.44Å; L285-K312 HydrophobicContact CD1-CD 4.01Å; L285-K312 HydrophobicContact CD1-CG 4.28Å; L285-K312 HydrophobicContact CD2-CG 4.35Å
286	Q	77.7	Confident	82.4	Confident	148 Å²	148	43.5 Å²	43.5	69%	0.692	22%	0.217	S	C	*	.	G	3₁₀ helix	trans	-67.1	-14.7	174.5	73.8	-143.9	15.1	0	0	114	K251 Q284	K251-Q286 PolarHBondContact NZ-O 3.47Å; Q284-Q286 HydrophobicContact CB-CG 3.91Å; Q284-Q286 PolarHBondContact O-N 2.84Å
287	D	78.8	Confident	82.8	Confident	12 Å²	12	44 Å²	44	6%	0.064	22%	0.22	C	C	.	.	G	3₁₀ helix	trans	-82.8	-18.7	180	-58.1	-18.5	0	0	0	111	K251 N269 I280 T283 Q284 L285 Y291	K251-D287 VanDerWaalsContact NZ-CA 3.31Å; K251-D287 PolarHBondContact NZ-O 2.92Å; N269-D287 PolarHBondContact ND2-OD2 3.19Å; I280-D287 HydrophobicContact CG2-CB 4.35Å; T283-D287 WeakPolarHBondContact CA-OD2 3.35Å; Q284-D287 PolarHBondContact N-OD2 3.31Å; Q284-D287 WeakPolarHBondContact O-CA 3.47Å; Q284-D287 VanDerWaalsContact O-CB 3.27Å; Q284-D287 WeakPolarHBondContact O-CB 3.46Å; Q284-D287 PolarHBondContact O-N 3.18Å; L285-D287 PolarHBondContact O-N 2.98Å; D287-Y291 WeakPolarHBondContact O-CE2 2.98Å; D287-Y291 PolarHBondContact O-OH 2.85Å
288	A	81.8	Confident	82.8	Confident	36 Å²	36	47 Å²	47	30%	0.298	24%	0.241	S	C	.	.			trans	-55	151.2	169.2	0	0	0	0	0	112.2	K251 L285 L308 V310	K251-A288 WeakPolarHBondContact CE-O 3.28Å; K251-A288 PolarHBondContact NZ-O 3.11Å; L285-A288 WeakPolarHBondContact O-CB 3.32Å; L285-A288 PolarHBondContact O-N 2.77Å; A288-L308 WeakPolarHBondContact CA-O 3.41Å; A288-V310 HydrophobicContact CB-CB 4.48Å; A288-V310 HydrophobicContact CB-CG2 4.23Å
289	G	81.5	Confident	82.3	Confident	30 Å²	30	48.3 Å²	48.3	31%	0.309	26%	0.255	S	S	.	.	E	Extended strand (participates in β ladder)	trans	143.3	-165	-177.3	0	0	0	0	0	113.3	L308	G289-L308 PolarHBondContact N-O 2.88Å; G289-L308 PolarHBondContact O-N 3.1Å
290	I	83.6	Confident	82.3	Confident	65 Å²	65	49 Å²	49	33%	0.333	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	125.5	177.3	-61.7	174.4	0	0	0	109	Q252 H305	Q252-I290 HydrophobicContact CG-CB 4.48Å; Q252-I290 HydrophobicContact CG-CG2 4.44Å; Q252-I290 PolarHBondContact N-O 3.39Å; I290-H305 HydrophobicContact CG2-CB 3.75Å
291	Y	84.4	Confident	82.2	Confident	4 Å²	4	52.2 Å²	52.2	2%	0.016	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	113.6	173.8	-70.8	-91.6	0	0	0	109	F235 E250 K251 M261 L278 I280 D287 F306 L308	F235-Y291 HydrophobicContact CE2-CD2 4.27Å; E250-Y291 CarbonylContact O-C 3.56Å; E250-Y291 VanDerWaalsContact O-CA 3.28Å; E250-Y291 WeakPolarHBondContact O-CA 3.35Å; K251-Y291 HydrophobicContact CB-CD1 4.02Å; K251-Y291 HydrophobicContact CB-CE1 3.83Å; K251-Y291 HydrophobicContact CD-CE1 3.95Å; K251-Y291 HydrophobicContact CD-CE2 4.42Å; K251-Y291 HydrophobicContact CG-CD1 4.37Å; K251-Y291 HydrophobicContact CG-CE1 4Å; K251-Y291 PolarHBondContact NZ-OH 2.97Å; M261-Y291 HydrophobicContact CE-CD1 4.29Å; M261-Y291 HydrophobicContact CE-CE1 4.43Å; L278-Y291 HydrophobicContact CD2-CD1 3.39Å; L278-Y291 HydrophobicContact CD2-CE1 3.96Å; L278-Y291 HydrophobicContact CD2-CG 3.83Å; I280-Y291 HydrophobicContact CD1-CE1 3.98Å; I280-Y291 HydrophobicContact CD1-CE2 3.88Å; D287-Y291 WeakPolarHBondContact O-CE2 2.98Å; D287-Y291 PolarHBondContact O-OH 2.85Å; Y291-F306 PolarHBondContact N-O 2.82Å; Y291-F306 PolarHBondContact O-N 3.4Å; Y291-L308 HydrophobicContact CD2-CB 4.16Å; Y291-L308 HydrophobicContact CE2-CB 4.04Å; Y291-L308 HydrophobicContact CE2-CD2 3.92Å
292	T	87.5	Confident	82.5	Confident	2 Å²	2	48.4 Å²	48.4	1%	0.012	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.4	120.7	176.4	-42	0	0	0	0	108.9	W249 E250 Q252 S304 H305	W249-T292 WeakPolarHBondContact CA-O 3.4Å; E250-T292 PolarHBondContact N-O 3.23Å; E250-T292 PolarHBondContact O-N 2.86Å; E250-T292 WeakPolarHBondContact OE1-CB 3.31Å; E250-T292 PolarHBondContact OE1-OG1 3.01Å; Q252-T292 PolarHBondContact NE2-OG1 3.49Å; T292-S304 CarbonylContact C-O 3.59Å; T292-S304 WeakPolarHBondContact CA-O 3.31Å; T292-H305 WeakPolarHBondContact CG2-ND1 3.33Å; T292-H305 PolarHBondContact OG1-ND1 2.91Å
293	C	88.2	Confident	83.1	Confident	0 Å²	0	46.6 Å²	46.6	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.7	158.2	173.5	0	0	0	0	108.4	C237 W249 S303 S304 F306	C237-C293 HydrophobicContact CB-CB 3.66Å; C237-C293 WeakPolarHBondContact CB-SG 3.32Å; C237-C293 WeakPolarHBondContact SG-CB 3.31Å; C237-C293 CovalentContact SG-SG 2.02Å; C237-C293 PolarHBondContact SG-SG 3.29Å; W249-C293 HydrophobicContact CD2-CB 4.06Å; W249-C293 HydrophobicContact CE3-CB 3.96Å; W249-C293 HydrophobicContact CH2-CB 3.79Å; W249-C293 HydrophobicContact CZ2-CB 3.88Å; W249-C293 HydrophobicContact CZ3-CB 3.83Å; C293-S303 CarbonylContact O-C 3.51Å; C293-S303 WeakPolarHBondContact O-CA 3.48Å; C293-S304 PolarHBondContact N-O 2.99Å; C293-S304 PolarHBondContact O-N 3.07Å; C293-F306 HydrophobicContact CB-CD2 4.35Å; C293-F306 HydrophobicContact CB-CE2 3.88Å
294	T	89.1	Confident	83.2	Confident	30 Å²	30	47.4 Å²	47.4	18%	0.184	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	120.3	169.3	-63.7	0	0	0	0	109.4	T248 S301 V302 S303	T248-T294 PolarHBondContact N-O 3.1Å; T248-T294 PolarHBondContact O-N 3.29Å; T248-T294 PolarHBondContact OG1-O 2.88Å; T248-T294 VanDerWaalsContact OG1-O 3.1Å; T294-S301 VanDerWaalsContact CG2-OG 3.29Å; T294-S301 WeakPolarHBondContact CG2-OG 3.38Å; T294-V302 CarbonylContact C-O 3.52Å; T294-V302 WeakPolarHBondContact CA-O 3.41Å; T294-S303 PolarHBondContact OG1-OG 2.96Å
295	A	88	Confident	83.3	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	123.5	180	0	0	0	0	0	110.1	P216 I218 A239 P245 E246 I247 S301 V302	P216-A295 WeakPolarHBondContact CG-O 3.44Å; I218-A295 HydrophobicContact CD1-CB 4.45Å; I218-A295 HydrophobicContact CG1-CB 4.33Å; A239-A295 HydrophobicContact CB-CB 3.41Å; A239-A295 VanDerWaalsContact CB-CB 3.41Å; P245-A295 HydrophobicContact CB-CB 4.11Å; P245-A295 HydrophobicContact CG-CB 4.35Å; E246-A295 WeakPolarHBondContact O-CA 3.46Å; I247-A295 HydrophobicContact CG1-CB 4.33Å; A295-S301 WeakPolarHBondContact O-CA 3.41Å; A295-V302 HydrophobicContact CB-CG1 4.06Å; A295-V302 PolarHBondContact N-O 2.82Å; A295-V302 PolarHBondContact O-N 3.39Å
296	R	86.5	Confident	83.6	Confident	151 Å²	151	45.6 Å²	45.6	57%	0.57	27%	0.266	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-133.7	131.8	-167.5	-175.8	178.8	178	-78.3	-8	112.9	P245 E246	P245-R296 CarbonylContact C-O 3.5Å; P245-R296 VanDerWaalsContact CA-O 3.24Å; P245-R296 WeakPolarHBondContact CA-O 3.23Å; E246-R296 PolarHBondContact N-O 2.81Å; E246-R296 PolarHBondContact O-N 2.71Å
297	N	85.3	Confident	83.8	Confident	14 Å²	14	41 Å²	41	8%	0.075	25%	0.25	C	C	.	.			trans	-130.3	-163.5	168.3	73	9.3	0	0	0	110.7	Q214 K242 P243 P245 G299 G300	Q214-N297 PolarHBondContact O-ND2 3.33Å; K242-N297 PolarHBondContact N-ND2 3.4Å; K242-N297 PolarHBondContact O-ND2 2.92Å; P243-N297 VanDerWaalsContact O-CB 3.26Å; P243-N297 WeakPolarHBondContact O-CB 3.47Å; P243-N297 PolarHBondContact O-ND2 2.92Å; P245-N297 HydrophobicContact CB-CB 4.35Å; N297-G299 VanDerWaalsContact C-N 3.33Å; N297-G299 WeakPolarHBondContact OD1-CA 3.42Å; N297-G299 PolarHBondContact OD1-N 3.05Å; N297-G300 PolarHBondContact N-O 2.81Å; N297-G300 PolarHBondContact OD1-N 2.83Å
298	V	83.8	Confident	84.1	Confident	115 Å²	115	40.9 Å²	40.9	70%	0.697	25%	0.248	S	C	*	.	S	Bend	trans	-77.1	-17.2	179	-53.5	0	0	0	0	113.9	I213 P243	I213-V298 HydrophobicContact CD1-CG2 4.44Å; I213-V298 HydrophobicContact CG2-CG2 4.25Å; P243-V298 HydrophobicContact CG-CG2 4.24Å
299	G	73	Confident	83.9	Confident	28 Å²	28	41 Å²	41	29%	0.289	25%	0.25	S	S	.	.	S	Bend	trans	-88.2	-19.8	177.1	0	0	0	0	0	114.4	N297	N297-G299 VanDerWaalsContact C-N 3.33Å; N297-G299 WeakPolarHBondContact OD1-CA 3.42Å; N297-G299 PolarHBondContact OD1-N 3.05Å
300	G	80.8	Confident	84.2	Confident	26 Å²	26	40.3 Å²	40.3	27%	0.268	24%	0.24	S	C	.	.			trans	168.4	-165.8	177.6	0	0	0	0	0	114.3	N297	N297-G300 PolarHBondContact N-O 2.81Å; N297-G300 PolarHBondContact OD1-N 2.83Å
301	S	84.6	Confident	84.1	Confident	69 Å²	69	40.8 Å²	40.8	48%	0.483	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.1	135.5	175.3	-161.1	0	0	0	0	109.2	T294 A295	T294-S301 VanDerWaalsContact CG2-OG 3.29Å; T294-S301 WeakPolarHBondContact CG2-OG 3.38Å; A295-S301 WeakPolarHBondContact O-CA 3.41Å
302	V	84.4	Confident	83.9	Confident	45 Å²	45	47.6 Å²	47.6	27%	0.273	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	151.3	174.9	68.3	0	0	0	0	109.2	P216 I218 T294 A295	P216-V302 HydrophobicContact CB-CG1 3.93Å; P216-V302 HydrophobicContact CG-CB 4.38Å; P216-V302 HydrophobicContact CG-CG1 4.06Å; P216-V302 WeakPolarHBondContact O-CB 3.48Å; P216-V302 WeakPolarHBondContact O-CG1 3.41Å; I218-V302 HydrophobicContact CD1-CG1 3.88Å; I218-V302 HydrophobicContact CG1-CG1 3.8Å; T294-V302 CarbonylContact C-O 3.52Å; T294-V302 WeakPolarHBondContact CA-O 3.41Å; A295-V302 HydrophobicContact CB-CG1 4.06Å; A295-V302 PolarHBondContact N-O 2.82Å; A295-V302 PolarHBondContact O-N 3.39Å
303	S	88.8	Confident	83	Confident	61 Å²	61	54.5 Å²	54.5	43%	0.427	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	148.2	-178.2	-59.5	0	0	0	0	111.8	C293 T294	C293-S303 CarbonylContact O-C 3.51Å; C293-S303 WeakPolarHBondContact O-CA 3.48Å; T294-S303 PolarHBondContact OG1-OG 2.96Å
304	S	81.2	Confident	81.7	Confident	17 Å²	17	62.7 Å²	62.7	12%	0.119	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.9	139.2	177.8	-175.6	0	0	0	0	110.8	T292 C293	T292-S304 CarbonylContact C-O 3.59Å; T292-S304 WeakPolarHBondContact CA-O 3.31Å; C293-S304 PolarHBondContact N-O 2.99Å; C293-S304 PolarHBondContact O-N 3.07Å
305	H	82.4	Confident	79.6	Confident	98 Å²	98	67 Å²	67	45%	0.454	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	105.2	-168.1	-61.8	-57.6	0	0	0	112	P222 Q252 I290 T292 P307	P222-H305 WeakPolarHBondContact CB-O 3.49Å; Q252-H305 PolarHBondContact NE2-CE1 2.66Å; Q252-H305 PolarHBondContact NE2-ND1 2.84Å; I290-H305 HydrophobicContact CG2-CB 3.75Å; T292-H305 WeakPolarHBondContact CG2-ND1 3.33Å; T292-H305 PolarHBondContact OG1-ND1 2.91Å; H305-P307 WeakPolarHBondContact O-CD 3.45Å
306	F	83.8	Confident	77.7	Confident	6 Å²	6	79.2 Å²	79.2	3%	0.026	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	115.7	-178	-65.9	-100	0	0	0	111.1	P222 F235 W249 Y291 C293	P222-F306 HydrophobicContact CB-CD1 4.19Å; P222-F306 HydrophobicContact CB-CE1 4.36Å; P222-F306 HydrophobicContact CB-CG 4.3Å; F235-F306 HydrophobicContact CB-CB 4.42Å; F235-F306 HydrophobicContact CB-CD1 4.05Å; F235-F306 HydrophobicContact CB-CG 4.24Å; F235-F306 HydrophobicContact CD1-CB 3.7Å; F235-F306 AromaticContact CD1-CD1 3.61Å; F235-F306 HydrophobicContact CD1-CD1 3.61Å; F235-F306 HydrophobicContact CD1-CG 4.01Å; F235-F306 HydrophobicContact CD2-CB 4.22Å; F235-F306 HydrophobicContact CE1-CB 3.87Å; F235-F306 HydrophobicContact CE1-CD1 4.33Å; F235-F306 HydrophobicContact CE2-CB 4.38Å; F235-F306 HydrophobicContact CG-CB 3.87Å; F235-F306 HydrophobicContact CG-CD1 4.07Å; F235-F306 HydrophobicContact CG-CG 4.17Å; F235-F306 HydrophobicContact CZ-CB 4.21Å; W249-F306 HydrophobicContact CH2-CB 4.44Å; W249-F306 HydrophobicContact CH2-CD1 4.43Å; W249-F306 AromaticContact CH2-CD2 3.42Å; W249-F306 HydrophobicContact CH2-CD2 3.42Å; W249-F306 VanDerWaalsContact CH2-CD2 3.42Å; W249-F306 AromaticContact CH2-CE2 3.65Å; W249-F306 HydrophobicContact CH2-CE2 3.65Å; W249-F306 AromaticContact CH2-CG 3.85Å; W249-F306 HydrophobicContact CH2-CG 3.85Å; W249-F306 HydrophobicContact CH2-CZ 4.25Å; W249-F306 HydrophobicContact CZ3-CB 4.18Å; W249-F306 AromaticContact CZ3-CD2 3.48Å; W249-F306 HydrophobicContact CZ3-CD2 3.48Å; W249-F306 VanDerWaalsContact CZ3-CD2 3.48Å; W249-F306 HydrophobicContact CZ3-CE2 4.09Å; W249-F306 AromaticContact CZ3-CG 3.98Å; W249-F306 HydrophobicContact CZ3-CG 3.98Å; Y291-F306 PolarHBondContact N-O 2.82Å; Y291-F306 PolarHBondContact O-N 3.4Å; C293-F306 HydrophobicContact CB-CD2 4.35Å; C293-F306 HydrophobicContact CB-CE2 3.88Å
307	P	81.9	Confident	75.5	Confident	53 Å²	53	75.2 Å²	75.2	34%	0.344	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.2	130.8	179.1	-10.3	28	0	0	0	112.1	K224 Q225 F235 H305	K224-P307 WeakPolarHBondContact CA-O 3.22Å; K224-P307 HydrophobicContact CB-CB 4.24Å; K224-P307 HydrophobicContact CB-CG 4.28Å; Q225-P307 PolarHBondContact N-O 3.18Å; F235-P307 WeakPolarHBondContact CZ-O 3.06Å; H305-P307 WeakPolarHBondContact O-CD 3.45Å
308	L	84.9	Confident	73.1	Confident	8 Å²	8	84.9 Å²	84.9	4%	0.042	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.2	125.2	171	-176.1	60.3	0	0	0	111.2	Q225 V227 A233 F235 I280 A288 G289 Y291 V310	Q225-L308 HydrophobicContact CB-CD1 4.16Å; V227-L308 HydrophobicContact CG2-CD1 4.05Å; A233-L308 HydrophobicContact CB-CD1 3.65Å; A233-L308 HydrophobicContact CB-CD2 3.98Å; F235-L308 HydrophobicContact CE2-CB 3.98Å; F235-L308 HydrophobicContact CE2-CD1 4.36Å; F235-L308 HydrophobicContact CZ-CB 3.88Å; F235-L308 HydrophobicContact CZ-CD1 4.13Å; I280-L308 HydrophobicContact CD1-CD2 3.66Å; A288-L308 WeakPolarHBondContact CA-O 3.41Å; G289-L308 PolarHBondContact N-O 2.88Å; G289-L308 PolarHBondContact O-N 3.1Å; Y291-L308 HydrophobicContact CD2-CB 4.16Å; Y291-L308 HydrophobicContact CE2-CB 4.04Å; Y291-L308 HydrophobicContact CE2-CD2 3.92Å; L308-V310 HydrophobicContact CD2-CG2 4.21Å; L308-V310 HydrophobicContact CG-CG2 4.09Å
309	A	79.1	Confident	71.1	Confident	40 Å²	40	84.7 Å²	84.7	33%	0.331	47%	0.465	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	133.8	166.4	0	0	0	0	0	110.3	Q225 I226 V227	Q225-A309 PolarHBondContact O-N 3.5Å; I226-A309 WeakPolarHBondContact CA-O 3.09Å; I226-A309 HydrophobicContact CG1-CB 4.32Å; I226-A309 HydrophobicContact CG2-CB 4.49Å; V227-A309 PolarHBondContact N-O 2.69Å
310	V	86.3	Confident	69.2	Low	15 Å²	15	88.2 Å²	88.2	9%	0.091	49%	0.492	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	124.2	177.5	-172.6	0	0	0	0	108.7	V227 V229 L285 A288 L308	V227-V310 HydrophobicContact CG2-CB 4.4Å; V227-V310 HydrophobicContact CG2-CG1 4.3Å; V227-V310 HydrophobicContact CG2-CG2 3.92Å; V227-V310 CarbonylContact O-C 3.45Å; V227-V310 WeakPolarHBondContact O-CA 3.38Å; V229-V310 HydrophobicContact CB-CG1 4.47Å; V229-V310 HydrophobicContact CG2-CG1 3.74Å; L285-V310 HydrophobicContact CD2-CB 4.44Å; L285-V310 HydrophobicContact CD2-CG1 4.36Å; L285-V310 WeakPolarHBondContact CD2-O 3.44Å; A288-V310 HydrophobicContact CB-CB 4.48Å; A288-V310 HydrophobicContact CB-CG2 4.23Å; L308-V310 HydrophobicContact CD2-CG2 4.21Å; L308-V310 HydrophobicContact CG-CG2 4.09Å
311	I	82.3	Confident	67.2	Low	75 Å²	75	96.4 Å²	96.4	39%	0.385	52%	0.523	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	139	-169.7	-60.6	-175.2	0	0	0	111	I226 V227 F228 V229	I226-I311 HydrophobicContact CG2-CD1 3.41Å; I226-I311 VanDerWaalsContact CG2-CD1 3.41Å; I226-I311 HydrophobicContact CG2-CG1 4.01Å; V227-I311 PolarHBondContact O-N 2.82Å; F228-I311 CarbonylContact C-O 3.56Å; F228-I311 VanDerWaalsContact CA-O 3.25Å; F228-I311 WeakPolarHBondContact CA-O 3.3Å; F228-I311 HydrophobicContact CD1-CB 4.13Å; F228-I311 HydrophobicContact CD1-CG2 4.11Å; F228-I311 HydrophobicContact CE1-CB 4.28Å; F228-I311 HydrophobicContact CE1-CG2 3.95Å; V229-I311 PolarHBondContact N-O 2.89Å
312	K	79.9	Confident	64.8	Low	147 Å²	147	96.4 Å²	96.4	64%	0.639	53%	0.534	S	S	*	.			trans	-79.4	130.9	167.6	-82.6	174	173.9	167.2	0	109.9	V229 L285 E314	V229-K312 HydrophobicContact CG2-CG 4.04Å; L285-K312 HydrophobicContact CD1-CD 4.01Å; L285-K312 HydrophobicContact CD1-CG 4.28Å; L285-K312 HydrophobicContact CD2-CG 4.35Å; K312-E314 PolarHBondContact O-N 3.12Å
313	K	67.8	Low	62.3	Low	146 Å²	146	101.3 Å²	101.3	64%	0.635	56%	0.558	S	S	*	*			trans	-82	97.2	-177.1	-156.3	168.6	-159.5	153.1	0	110.1	F228 E231	F228-K313 HydrophobicContact CD1-CB 3.79Å; F228-K313 HydrophobicContact CD1-CD 4.25Å; F228-K313 HydrophobicContact CD1-CG 3.91Å; F228-K313 HydrophobicContact CE1-CB 4.31Å; F228-K313 HydrophobicContact CE1-CG 4.08Å; F228-K313 HydrophobicContact CG-CB 4.39Å; F228-K313 HydrophobicContact CG-CD 4.22Å; F228-K313 HydrophobicContact CG-CG 4.39Å; E231-K313 IonicContact OE1-NZ 3.82Å
314	E	60.8	Low	60	Low	173 Å²	173	106 Å²	106	81%	0.808	58%	0.579	S	S	*	*			trans	-66.9	141.6	-179.4	-67.7	-156.9	139.3	0	0	113.1	K312 R316	K312-E314 PolarHBondContact O-N 3.12Å; E314-R316 PolarHBondContact O-N 2.05Å
315	P	45.2	Very low	57.8	Low	120 Å²	120	110 Å²	110	78%	0.779	60%	0.603	S	S	*	*			trans	-74.5	122.6	170.6	30.9	-32.2	0	0	0	110.1	G317	P315-G317 PolarHBondContact O-N 3.43Å; P315-G317 VanDerWaalsContact O-N 3.1Å
316	R	48.3	Very low	55.7	Low	257 Å²	257	112.8 Å²	112.8	97%	0.97	62%	0.621	S	S	*	*			trans	-53.8	115.8	-178	-72.5	-176.9	175	179.5	-1.8	112.1	E314	E314-R316 PolarHBondContact O-N 2.05Å
317	G	40.1	Very low	53.8	Low	67 Å²	67	119.3 Å²	119.3	69%	0.691	66%	0.655	S	S	*	*			trans	-138.5	58.6	-165.6	0	0	0	0	0	116.2	P315	P315-G317 PolarHBondContact O-N 3.43Å; P315-G317 VanDerWaalsContact O-N 3.1Å
318	K	35.7	Very low	52.6	Low	217 Å²	217	122.4 Å²	122.4	94%	0.943	68%	0.675	S	S	*	*			trans	77	163.5	169.8	-54.3	178.1	179.9	176.9	0	116.9
319	S	42.5	Very low	51.7	Low	110 Å²	110	124.7 Å²	124.7	77%	0.769	69%	0.685	S	S	*	*			trans	-94.2	151.2	-168.4	48.8	0	0	0	0	113.8
320	A	32.8	Very low	51.3	Low	103 Å²	103	126.3 Å²	126.3	85%	0.851	69%	0.692	S	S	*	*			trans	-121.1	115.3	152.8	0	0	0	0	0	108.7
321	E	38.3	Very low	50.3	Low	198 Å²	198	129.2 Å²	129.2	93%	0.925	72%	0.718	S	S	*	*			trans	-80.8	130.2	163	-65.7	176.4	119	0	0	107.5
322	G	34.1	Very low	49.8	Very low	69 Å²	69	129.1 Å²	129.1	71%	0.711	73%	0.729	S	S	*	*			trans	-162.1	43.1	-161.4	0	0	0	0	0	116.8
323	N	31.1	Very low	49.9	Very low	147 Å²	147	123.4 Å²	123.4	79%	0.786	70%	0.704	S	S	*	*			trans	61.2	117.9	168.1	-63.3	-26.1	0	0	0	118.7	T325	N323-T325 PolarHBondContact O-N 3.38Å
324	N	42	Very low	50.4	Low	159 Å²	159	116.8 Å²	116.8	85%	0.85	68%	0.676	S	S	*	*			trans	-65.7	101.4	154.9	-84.8	-28.6	0	0	0	110.1
325	T	34.1	Very low	51.3	Low	102 Å²	102	114.3 Å²	114.3	63%	0.626	67%	0.668	S	S	*	*			trans	-117.4	90.2	156	51.8	0	0	0	0	109.2	N323 L327	N323-T325 PolarHBondContact O-N 3.38Å; T325-L327 PolarHBondContact O-N 3.13Å
326	N	39.6	Very low	53	Low	157 Å²	157	112.8 Å²	112.8	84%	0.84	65%	0.649	S	S	*	*			trans	-71.4	69	170	-73.5	-12.6	0	0	0	110.1
327	L	42.2	Very low	54.5	Low	143 Å²	143	105 Å²	105	75%	0.749	63%	0.633	S	S	*	*	P	Polyproline II helix	trans	-97.8	126.3	165.6	-78.3	163.2	0	0	0	107.4	T325	T325-L327 PolarHBondContact O-N 3.13Å
328	P	57.7	Low	56.4	Low	117 Å²	117	102.9 Å²	102.9	76%	0.76	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-55.7	141	174.3	-25.5	34.8	0	0	0	111.2
329	F	64.8	Low	58.5	Low	56 Å²	56	93.2 Å²	93.2	25%	0.246	57%	0.566	C	S	.	*	P	Polyproline II helix	trans	-57.5	133.9	175.8	-176.5	-91.5	0	0	0	109.9	A331 E333 C334 L371 F374 C384	F329-A331 PolarHBondContact O-N 3.29Å; F329-E333 HydrophobicContact CE1-CB 3.77Å; F329-E333 HydrophobicContact CE1-CG 4.21Å; F329-E333 HydrophobicContact CZ-CB 3.97Å; F329-E333 HydrophobicContact CZ-CG 3.88Å; F329-C334 VanDerWaalsContact CE1-SG 3.56Å; F329-L371 HydrophobicContact CE2-CB 4.01Å; F329-L371 HydrophobicContact CZ-CB 3.99Å; F329-L371 VanDerWaalsContact CZ-O 3.29Å; F329-L371 WeakPolarHBondContact CZ-O 3.29Å; F329-F374 HydrophobicContact CD2-CE1 4.31Å; F329-F374 HydrophobicContact CE1-CZ 4.05Å; F329-F374 AromaticContact CE2-CE1 3.83Å; F329-F374 HydrophobicContact CE2-CE1 3.83Å; F329-F374 HydrophobicContact CE2-CZ 4.12Å; F329-F374 AromaticContact CZ-CE1 3.95Å; F329-F374 HydrophobicContact CZ-CE1 3.95Å; F329-F374 AromaticContact CZ-CZ 3.74Å; F329-F374 HydrophobicContact CZ-CZ 3.74Å; F329-C384 VanDerWaalsContact CE1-SG 3.52Å
330	P	72.7	Confident	59.8	Low	74 Å²	74	94 Å²	94	48%	0.481	57%	0.566	S	S	.	*			trans	-65.8	112.2	-171.2	-22.5	34.1	0	0	0	112.2	A332 E333	P330-A332 PolarHBondContact O-N 2.75Å; P330-E333 HydrophobicContact CB-CB 4.34Å; P330-E333 WeakPolarHBondContact O-CA 3.4Å; P330-E333 WeakPolarHBondContact O-CB 3.45Å; P330-E333 PolarHBondContact O-N 2.79Å
331	A	63.4	Low	61.8	Low	77 Å²	77	92.6 Å²	92.6	64%	0.636	55%	0.545	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.7	-22.5	-176	0	0	0	0	0	114.8	F329 E333	F329-A331 PolarHBondContact O-N 3.29Å; A331-E333 VanDerWaalsContact C-N 3.26Å; A331-E333 PolarHBondContact O-N 2.91Å
332	A	72.6	Confident	63.2	Low	73 Å²	73	89.7 Å²	89.7	60%	0.603	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-22.5	172.9	0	0	0	0	0	113.4	P330	P330-A332 PolarHBondContact O-N 2.75Å
333	E	81.6	Confident	64.8	Low	26 Å²	26	89.8 Å²	89.8	12%	0.121	52%	0.524	C	S	.	.	G	3₁₀ helix	trans	-76.7	-39	-179.8	-155.8	61.6	-155.5	0	0	110.8	F329 P330 A331 L335 K336 N370 L371	F329-E333 HydrophobicContact CE1-CB 3.77Å; F329-E333 HydrophobicContact CE1-CG 4.21Å; F329-E333 HydrophobicContact CZ-CB 3.97Å; F329-E333 HydrophobicContact CZ-CG 3.88Å; P330-E333 HydrophobicContact CB-CB 4.34Å; P330-E333 WeakPolarHBondContact O-CA 3.4Å; P330-E333 WeakPolarHBondContact O-CB 3.45Å; P330-E333 PolarHBondContact O-N 2.79Å; A331-E333 VanDerWaalsContact C-N 3.26Å; A331-E333 PolarHBondContact O-N 2.91Å; E333-L335 PolarHBondContact O-N 2.03Å; E333-K336 WeakPolarHBondContact O-CB 3.28Å; E333-K336 PolarHBondContact O-N 3.37Å; E333-K336 WeakPolarHBondContact OE1-CD 2.99Å; E333-K336 WeakPolarHBondContact OE1-CE 3.32Å; E333-K336 IonicContact OE1-NZ 2.74Å; E333-K336 PolarHBondContact OE1-NZ 2.79Å; E333-K336 WeakPolarHBondContact OE2-CE 3.46Å; E333-K336 IonicContact OE2-NZ 2.7Å; E333-K336 PolarHBondContact OE2-NZ 2.84Å; E333-N370 WeakPolarHBondContact OE1-CA 2.97Å; E333-N370 WeakPolarHBondContact OE1-CB 3.26Å; E333-L371 HydrophobicContact CG-CB 3.74Å; E333-L371 HydrophobicContact CG-CG 4.26Å; E333-L371 PolarHBondContact OE1-N 3.33Å
334	C	79.4	Confident	66.6	Low	7 Å²	7	84.8 Å²	84.8	5%	0.047	51%	0.508	C	S	.	.	G	3₁₀ helix	trans	-57.4	-13	171.4	-55.7	0	0	0	0	114.6	F329 Y352 C384	F329-C334 VanDerWaalsContact CE1-SG 3.56Å; C334-Y352 HydrophobicContact CB-CD1 3.96Å; C334-Y352 HydrophobicContact CB-CE1 4.28Å; C334-Y352 WeakPolarHBondContact O-CD1 3.35Å; C334-C384 VanDerWaalsContact CA-SG 3.58Å; C334-C384 HydrophobicContact CB-CB 3.66Å; C334-C384 WeakPolarHBondContact CB-SG 3.05Å; C334-C384 WeakPolarHBondContact SG-CA 3.33Å; C334-C384 WeakPolarHBondContact SG-CB 3.18Å; C334-C384 CovalentContact SG-SG 2.04Å; C334-C384 PolarHBondContact SG-SG 2.96Å
335	L	79.3	Confident	67.6	Low	121 Å²	121	84.6 Å²	84.6	63%	0.634	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-94.5	-6.5	178.8	-60.4	177.7	0	0	0	113.2	E333 P354	E333-L335 PolarHBondContact O-N 2.03Å; L335-P354 HydrophobicContact CD2-CB 3.93Å; L335-P354 HydrophobicContact CD2-CG 4.08Å
336	K	81.4	Confident	69.3	Low	89 Å²	89	86.7 Å²	86.7	39%	0.387	51%	0.505	S	S	.	.	S	Bend	trans	-81.8	149.7	178.4	-63.6	177.4	179.2	176.4	0	111.5	E333 N370 N372	E333-K336 WeakPolarHBondContact O-CB 3.28Å; E333-K336 PolarHBondContact O-N 3.37Å; E333-K336 WeakPolarHBondContact OE1-CD 2.99Å; E333-K336 WeakPolarHBondContact OE1-CE 3.32Å; E333-K336 IonicContact OE1-NZ 2.74Å; E333-K336 PolarHBondContact OE1-NZ 2.79Å; E333-K336 WeakPolarHBondContact OE2-CE 3.46Å; E333-K336 IonicContact OE2-NZ 2.7Å; E333-K336 PolarHBondContact OE2-NZ 2.84Å; K336-N370 HydrophobicContact CB-CB 4.32Å; K336-N370 HydrophobicContact CD-CB 3.57Å; K336-N372 PolarHBondContact O-ND2 3.35Å
337	S	80.1	Confident	70.9	Confident	92 Å²	92	81.2 Å²	81.2	64%	0.643	48%	0.479	S	S	*	.	P	Polyproline II helix	trans	-67.6	151.9	168.8	48.5	0	0	0	0	111.5	N370	S337-N370 PolarHBondContact O-ND2 2.04Å
338	P	79.6	Confident	72.2	Confident	24 Å²	24	80.7 Å²	80.7	16%	0.156	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-59.1	150.4	171.4	25.6	-34	0	0	0	111.6	T340 Y351 F362	P338-T340 PolarHBondContact O-N 3.09Å; P338-Y351 HydrophobicContact CB-CD1 3.98Å; P338-Y351 HydrophobicContact CB-CD2 4.22Å; P338-Y351 HydrophobicContact CB-CG 3.79Å; P338-Y351 HydrophobicContact CG-CD1 3.98Å; P338-Y351 HydrophobicContact CG-CD2 3.9Å; P338-Y351 HydrophobicContact CG-CE1 4.1Å; P338-Y351 HydrophobicContact CG-CE2 4.04Å; P338-Y351 HydrophobicContact CG-CG 3.89Å; P338-F362 HydrophobicContact CB-CD1 4.27Å; P338-F362 HydrophobicContact CB-CD2 3.72Å; P338-F362 HydrophobicContact CB-CE1 4.28Å; P338-F362 HydrophobicContact CB-CE2 3.74Å; P338-F362 HydrophobicContact CB-CG 4Å; P338-F362 HydrophobicContact CB-CZ 4.02Å
339	D	78.9	Confident	73.3	Confident	14 Å²	14	75.3 Å²	75.3	8%	0.075	44%	0.44	C	S	.	.			trans	-72	110.3	175.3	-80.1	-15.3	0	0	0	110.1	F362 Y364 C367 K369 N370	D339-F362 WeakPolarHBondContact O-CE2 3.42Å; D339-Y364 HydrophobicContact CB-CD2 4.36Å; D339-Y364 HydrophobicContact CB-CE2 4.14Å; D339-C367 HydrophobicContact CB-CB 4.37Å; D339-K369 WeakPolarHBondContact OD1-CB 3.43Å; D339-K369 WeakPolarHBondContact OD2-CA 3.5Å; D339-K369 WeakPolarHBondContact OD2-CB 3.45Å; D339-K369 PolarHBondContact OD2-N 3.06Å; D339-N370 PolarHBondContact OD1-ND2 3.13Å; D339-N370 PolarHBondContact OD2-N 3.37Å
340	T	70.7	Confident	74.1	Confident	125 Å²	125	76.1 Å²	76.1	77%	0.767	44%	0.442	S	S	*	.			trans	-106.7	19.6	179.6	58.7	0	0	0	0	113.4	P338	P338-T340 PolarHBondContact O-N 3.09Å
341	D	73.4	Confident	74.6	Confident	74 Å²	74	74.8 Å²	74.8	40%	0.396	43%	0.428	S	S	.	.			trans	-83.1	148	173.2	-65	-99.2	0	0	0	110.8	C367 K369	D341-C367 PolarHBondContact O-SG 3.47Å; D341-K369 IonicContact OD1-NZ 2.95Å; D341-K369 PolarHBondContact OD1-NZ 2.89Å; D341-K369 WeakPolarHBondContact OD2-CE 3.42Å; D341-K369 IonicContact OD2-NZ 2.7Å; D341-K369 PolarHBondContact OD2-NZ 2.86Å
342	D	68.4	Low	75.4	Confident	137 Å²	137	72.2 Å²	72.2	73%	0.733	40%	0.402	S	S	*	.			trans	-89	111.3	172.2	-179.7	15.9	0	0	0	110.1	G344	D342-G344 PolarHBondContact OD1-N 3.43Å
343	C	68.6	Low	75.7	Confident	71 Å²	71	70.4 Å²	70.4	48%	0.48	38%	0.381	S	S	.	.			trans	-123.7	4.3	179.3	-47.1	0	0	0	0	114	S365 C367	C343-S365 WeakPolarHBondContact CB-O 3.28Å; C343-C367 HydrophobicContact CB-CB 4.08Å; C343-C367 WeakPolarHBondContact CB-SG 3Å; C343-C367 WeakPolarHBondContact SG-CB 3.36Å; C343-C367 CovalentContact SG-SG 2.04Å; C343-C367 PolarHBondContact SG-SG 2.78Å
344	G	68.4	Low	75.1	Confident	43 Å²	43	71.9 Å²	71.9	44%	0.443	39%	0.393	S	S	.	.	S	Bend	trans	142.3	-136.8	-178.4	0	0	0	0	0	115.5	D342 E346	D342-G344 PolarHBondContact OD1-N 3.43Å; G344-E346 PolarHBondContact O-N 3.42Å
345	E	63.2	Low	74.3	Confident	154 Å²	154	80.4 Å²	80.4	72%	0.72	43%	0.429	S	S	*	.	S	Bend	trans	-66.3	113.7	-169.2	-176.3	171.9	-148.7	0	0	112.6	S347 Q366	E345-S347 PolarHBondContact O-N 2.04Å; E345-Q366 PolarHBondContact O-NE2 2.91Å
346	E	68.9	Low	73.4	Confident	147 Å²	147	82.5 Å²	82.5	69%	0.687	43%	0.428	S	S	*	.			trans	-65.1	120.7	-178.6	-67.8	-170.1	163.9	0	0	112.3	G344 T363	G344-E346 PolarHBondContact O-N 3.42Å; E346-T363 HydrophobicContact CB-CG2 3.76Å; E346-T363 HydrophobicContact CG-CG2 3.77Å
347	S	73.1	Confident	72.6	Confident	42 Å²	42	81.7 Å²	81.7	29%	0.294	43%	0.428	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	163.7	172.5	68.7	0	0	0	0	111.1	E345 T363 Y364	E345-S347 PolarHBondContact O-N 2.04Å; S347-T363 CarbonylContact O-C 3.57Å; S347-T363 WeakPolarHBondContact O-CA 3.05Å; S347-Y364 PolarHBondContact N-O 2.86Å; S347-Y364 PolarHBondContact O-N 2.76Å; S347-Y364 PolarHBondContact OG-O 2.84Å
348	I	69.9	Low	71.6	Confident	131 Å²	131	79.9 Å²	79.9	67%	0.672	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.1	113.2	172.6	-58.6	177.2	0	0	0	108.3	T361	I348-T361 HydrophobicContact CG2-CG2 4.01Å
349	S	81.5	Confident	71.5	Confident	4 Å²	4	79 Å²	79	3%	0.028	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	167.7	176.1	-58.2	0	0	0	0	110.9	T361 F362 Y364	S349-T361 CarbonylContact O-C 3.52Å; S349-T361 VanDerWaalsContact O-CA 3.31Å; S349-T361 WeakPolarHBondContact O-CA 3.33Å; S349-F362 PolarHBondContact N-O 3.07Å; S349-F362 VanDerWaalsContact N-O 3.09Å; S349-F362 VanDerWaalsContact O-CD1 3.29Å; S349-F362 WeakPolarHBondContact O-CD1 3.02Å; S349-F362 PolarHBondContact O-N 3.02Å; S349-Y364 WeakPolarHBondContact OG-CD1 3.43Å
350	W	80.4	Confident	71.5	Confident	73 Å²	73	81.2 Å²	81.2	28%	0.277	42%	0.415	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	141.7	177.6	-61	80	0	0	0	110.4	C359 F360 T361 H373 F374 T376 Y377 C380	W350-C359 HydrophobicContact CE3-CB 4.34Å; W350-F360 CarbonylContact C-O 3.59Å; W350-F360 VanDerWaalsContact CA-O 3.3Å; W350-F360 WeakPolarHBondContact CA-O 3.38Å; W350-T361 HydrophobicContact CD2-CG2 3.68Å; W350-T361 HydrophobicContact CE3-CG2 3.76Å; W350-T361 HydrophobicContact CG-CG2 4.4Å; W350-T361 HydrophobicContact CH2-CG2 3.73Å; W350-T361 HydrophobicContact CZ2-CG2 3.62Å; W350-T361 HydrophobicContact CZ3-CG2 3.79Å; W350-H373 CarbonylContact O-C 3.57Å; W350-H373 VanDerWaalsContact O-CA 3.26Å; W350-H373 WeakPolarHBondContact O-CA 3.32Å; W350-F374 HydrophobicContact CB-CB 4.43Å; W350-F374 PolarHBondContact N-O 3.23Å; W350-F374 WeakPolarHBondContact O-CD2 3.27Å; W350-F374 PolarHBondContact O-N 3.19Å; W350-T376 VanDerWaalsContact CD1-C 3.44Å; W350-Y377 AromaticContact CE3-CD2 3.8Å; W350-Y377 HydrophobicContact CE3-CD2 3.8Å; W350-Y377 HydrophobicContact CE3-CG 4.35Å; W350-Y377 HydrophobicContact CH2-CD2 4.25Å; W350-Y377 HydrophobicContact CH2-CG 4.47Å; W350-Y377 AromaticContact CZ3-CD2 3.58Å; W350-Y377 HydrophobicContact CZ3-CD2 3.58Å; W350-Y377 HydrophobicContact CZ3-CG 4.18Å; W350-C380 HydrophobicContact CB-CB 4.13Å
351	Y	84.1	Confident	71.8	Confident	47 Å²	47	78.3 Å²	78.3	18%	0.184	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	150.9	169	77.6	-83.8	0	0	0	110	P338 E353 C359 F360 F362 N372	P338-Y351 HydrophobicContact CB-CD1 3.98Å; P338-Y351 HydrophobicContact CB-CD2 4.22Å; P338-Y351 HydrophobicContact CB-CG 3.79Å; P338-Y351 HydrophobicContact CG-CD1 3.98Å; P338-Y351 HydrophobicContact CG-CD2 3.9Å; P338-Y351 HydrophobicContact CG-CE1 4.1Å; P338-Y351 HydrophobicContact CG-CE2 4.04Å; P338-Y351 HydrophobicContact CG-CG 3.89Å; Y351-E353 HydrophobicContact CE2-CB 4.05Å; Y351-C359 CarbonylContact O-C 3.56Å; Y351-C359 VanDerWaalsContact O-CA 3.26Å; Y351-C359 WeakPolarHBondContact O-CA 3.21Å; Y351-F360 HydrophobicContact CD1-CB 4.3Å; Y351-F360 VanDerWaalsContact CD1-O 3.26Å; Y351-F360 WeakPolarHBondContact CD1-O 3.35Å; Y351-F360 HydrophobicContact CE1-CB 3.69Å; Y351-F360 PolarHBondContact N-O 3.48Å; Y351-F360 PolarHBondContact O-N 3.1Å; Y351-F362 HydrophobicContact CD1-CB 3.98Å; Y351-F362 AromaticContact CD1-CD1 3.66Å; Y351-F362 HydrophobicContact CD1-CD1 3.66Å; Y351-F362 HydrophobicContact CD1-CE1 4.41Å; Y351-F362 HydrophobicContact CD1-CG 4.02Å; Y351-F362 HydrophobicContact CE1-CB 4.19Å; Y351-F362 HydrophobicContact CG-CD1 4.29Å; Y351-N372 WeakPolarHBondContact CA-O 3.1Å; Y351-N372 WeakPolarHBondContact CB-O 3.41Å
352	Y	79.5	Confident	72.1	Confident	22 Å²	22	76 Å²	76	9%	0.086	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.2	129.9	176	173.9	-102.2	0	0	0	111.2	C334 P354 N357 N372 C384	C334-Y352 HydrophobicContact CB-CD1 3.96Å; C334-Y352 HydrophobicContact CB-CE1 4.28Å; C334-Y352 WeakPolarHBondContact O-CD1 3.35Å; Y352-P354 HydrophobicContact CD1-CB 4.48Å; Y352-P354 HydrophobicContact CE1-CB 3.84Å; Y352-P354 WeakPolarHBondContact O-CD 3.28Å; Y352-N357 PolarHBondContact OH-OD1 2.89Å; Y352-N372 WeakPolarHBondContact CB-OD1 3.27Å; Y352-N372 PolarHBondContact N-OD1 3Å; Y352-N372 PolarHBondContact O-ND2 3.23Å; Y352-C384 HydrophobicContact CD1-CB 3.58Å; Y352-C384 HydrophobicContact CD2-CB 3.84Å; Y352-C384 HydrophobicContact CE1-CB 4.09Å; Y352-C384 HydrophobicContact CE2-CB 4.36Å; Y352-C384 WeakPolarHBondContact CE2-O 3.33Å; Y352-C384 HydrophobicContact CG-CB 3.41Å; Y352-C384 VanDerWaalsContact CG-CB 3.41Å; Y352-C384 PolarHBondContact OH-O 2.02Å
353	E	80.4	Confident	72.6	Confident	36 Å²	36	73.1 Å²	73.1	17%	0.168	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	106.1	172.3	-167.8	-175.7	175	0	0	111	Y351 K355 R356 N357 N358 F360	Y351-E353 HydrophobicContact CE2-CB 4.05Å; E353-K355 HydrophobicContact CG-CB 4.21Å; E353-K355 PolarHBondContact O-N 3.22Å; E353-K355 VanDerWaalsContact O-N 3.12Å; E353-R356 HydrophobicContact CG-CG 4.45Å; E353-R356 PolarHBondContact O-N 2.8Å; E353-R356 IonicContact OE1-NE 2.71Å; E353-R356 WeakPolarHBondContact OE2-CD 3.39Å; E353-R356 IonicContact OE2-CZ 3.26Å; E353-R356 IonicContact OE2-NE 3.69Å; E353-R356 PolarHBondContact OE2-NE 2.9Å; E353-R356 IonicContact OE2-NH2 2.85Å; E353-N357 PolarHBondContact O-N 3.46Å; E353-N358 PolarHBondContact N-O 2.93Å; E353-F360 HydrophobicContact CB-CD2 3.92Å; E353-F360 HydrophobicContact CB-CE2 3.96Å
354	P	68.3	Low	73	Confident	57 Å²	57	70.2 Å²	70.2	37%	0.37	35%	0.35	S	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-22.2	-176.9	24.6	-35	0	0	0	113.7	L335 Y352 R356	L335-P354 HydrophobicContact CD2-CB 3.93Å; L335-P354 HydrophobicContact CD2-CG 4.08Å; Y352-P354 HydrophobicContact CD1-CB 4.48Å; Y352-P354 HydrophobicContact CE1-CB 3.84Å; Y352-P354 WeakPolarHBondContact O-CD 3.28Å; P354-R356 PolarHBondContact O-N 2.88Å
355	K	62.8	Low	73.3	Confident	186 Å²	186	68.7 Å²	68.7	81%	0.809	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.4	-18.4	174.5	-64.3	178.4	-177.7	171.6	0	113.6	E353	E353-K355 HydrophobicContact CG-CB 4.21Å; E353-K355 PolarHBondContact O-N 3.22Å; E353-K355 VanDerWaalsContact O-N 3.12Å
356	R	60.6	Low	73.7	Confident	165 Å²	165	66 Å²	66	62%	0.623	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-120.4	-8.1	-177.8	-57.9	-170.5	-159.6	-142.8	3	113.6	E353 P354 N358 F360	E353-R356 HydrophobicContact CG-CG 4.45Å; E353-R356 PolarHBondContact O-N 2.8Å; E353-R356 IonicContact OE1-NE 2.71Å; E353-R356 WeakPolarHBondContact OE2-CD 3.39Å; E353-R356 IonicContact OE2-CZ 3.26Å; E353-R356 IonicContact OE2-NE 3.69Å; E353-R356 PolarHBondContact OE2-NE 2.9Å; E353-R356 IonicContact OE2-NH2 2.85Å; P354-R356 PolarHBondContact O-N 2.88Å; R356-N358 VanDerWaalsContact C-N 3.31Å; R356-N358 PolarHBondContact O-N 2.95Å; R356-F360 HydrophobicContact CB-CE2 4.07Å; R356-F360 HydrophobicContact CB-CZ 4.28Å; R356-F360 HydrophobicContact CG-CE2 4.45Å
357	N	64	Low	73.8	Confident	72 Å²	72	60.1 Å²	60.1	39%	0.385	30%	0.295	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.1	51	-171.5	-170.6	16.7	0	0	0	112	Y352 E353	Y352-N357 PolarHBondContact OH-OD1 2.89Å; E353-N357 PolarHBondContact O-N 3.46Å
358	N	59.3	Low	73.8	Confident	53 Å²	53	62.9 Å²	62.9	28%	0.283	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.8	158.3	-175.8	-163	9.8	0	0	0	111.5	E353 R356 F360 Y377	E353-N358 PolarHBondContact N-O 2.93Å; R356-N358 VanDerWaalsContact C-N 3.31Å; R356-N358 PolarHBondContact O-N 2.95Å; N358-F360 HydrophobicContact CB-CE2 3.89Å; N358-F360 HydrophobicContact CB-CZ 4.06Å; N358-F360 WeakPolarHBondContact O-CE2 3.42Å; N358-Y377 WeakPolarHBondContact OD1-CE2 3.43Å; N358-Y377 PolarHBondContact OD1-OH 2.91Å
359	C	78.2	Confident	74	Confident	5 Å²	5	62.4 Å²	62.4	3%	0.034	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100	138.8	178.9	-69.5	0	0	0	0	113	W350 Y351 Y377 C380 M381	W350-C359 HydrophobicContact CE3-CB 4.34Å; Y351-C359 CarbonylContact O-C 3.56Å; Y351-C359 VanDerWaalsContact O-CA 3.26Å; Y351-C359 WeakPolarHBondContact O-CA 3.21Å; C359-Y377 HydrophobicContact CB-CD2 3.77Å; C359-Y377 HydrophobicContact CB-CE2 3.97Å; C359-C380 HydrophobicContact CB-CB 3.79Å; C359-C380 WeakPolarHBondContact CB-SG 3.42Å; C359-C380 WeakPolarHBondContact SG-CB 2.97Å; C359-C380 CovalentContact SG-SG 2.03Å; C359-C380 PolarHBondContact SG-SG 3.46Å; C359-M381 HydrophobicContact CB-CG 4.3Å; C359-M381 HydrophobicContact CB-SD 4.05Å
360	F	77.9	Confident	74	Confident	61 Å²	61	62.6 Å²	62.6	27%	0.268	30%	0.3	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	150.3	-175.7	-64.1	-84.3	0	0	0	111.3	W350 Y351 E353 R356 N358	W350-F360 CarbonylContact C-O 3.59Å; W350-F360 VanDerWaalsContact CA-O 3.3Å; W350-F360 WeakPolarHBondContact CA-O 3.38Å; Y351-F360 HydrophobicContact CD1-CB 4.3Å; Y351-F360 VanDerWaalsContact CD1-O 3.26Å; Y351-F360 WeakPolarHBondContact CD1-O 3.35Å; Y351-F360 HydrophobicContact CE1-CB 3.69Å; Y351-F360 PolarHBondContact N-O 3.48Å; Y351-F360 PolarHBondContact O-N 3.1Å; E353-F360 HydrophobicContact CB-CD2 3.92Å; E353-F360 HydrophobicContact CB-CE2 3.96Å; R356-F360 HydrophobicContact CB-CE2 4.07Å; R356-F360 HydrophobicContact CB-CZ 4.28Å; R356-F360 HydrophobicContact CG-CE2 4.45Å; N358-F360 HydrophobicContact CB-CE2 3.89Å; N358-F360 HydrophobicContact CB-CZ 4.06Å; N358-F360 WeakPolarHBondContact O-CE2 3.42Å
361	T	76.8	Confident	74.1	Confident	64 Å²	64	63.4 Å²	63.4	39%	0.393	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	142	176.2	49.4	0	0	0	0	112.6	I348 S349 W350	I348-T361 HydrophobicContact CG2-CG2 4.01Å; S349-T361 CarbonylContact O-C 3.52Å; S349-T361 VanDerWaalsContact O-CA 3.31Å; S349-T361 WeakPolarHBondContact O-CA 3.33Å; W350-T361 HydrophobicContact CD2-CG2 3.68Å; W350-T361 HydrophobicContact CE3-CG2 3.76Å; W350-T361 HydrophobicContact CG-CG2 4.4Å; W350-T361 HydrophobicContact CH2-CG2 3.73Å; W350-T361 HydrophobicContact CZ2-CG2 3.62Å; W350-T361 HydrophobicContact CZ3-CG2 3.79Å
362	F	80.8	Confident	74.1	Confident	25 Å²	25	61.1 Å²	61.1	11%	0.11	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	159.9	171.6	77.3	-68	0	0	0	111	P338 D339 S349 Y351 Y364 H373	P338-F362 HydrophobicContact CB-CD1 4.27Å; P338-F362 HydrophobicContact CB-CD2 3.72Å; P338-F362 HydrophobicContact CB-CE1 4.28Å; P338-F362 HydrophobicContact CB-CE2 3.74Å; P338-F362 HydrophobicContact CB-CG 4Å; P338-F362 HydrophobicContact CB-CZ 4.02Å; D339-F362 WeakPolarHBondContact O-CE2 3.42Å; S349-F362 PolarHBondContact N-O 3.07Å; S349-F362 VanDerWaalsContact N-O 3.09Å; S349-F362 VanDerWaalsContact O-CD1 3.29Å; S349-F362 WeakPolarHBondContact O-CD1 3.02Å; S349-F362 PolarHBondContact O-N 3.02Å; Y351-F362 HydrophobicContact CD1-CB 3.98Å; Y351-F362 AromaticContact CD1-CD1 3.66Å; Y351-F362 HydrophobicContact CD1-CD1 3.66Å; Y351-F362 HydrophobicContact CD1-CE1 4.41Å; Y351-F362 HydrophobicContact CD1-CG 4.02Å; Y351-F362 HydrophobicContact CE1-CB 4.19Å; Y351-F362 HydrophobicContact CG-CD1 4.29Å; F362-Y364 AromaticContact CE2-CD2 3.74Å; F362-Y364 HydrophobicContact CE2-CD2 3.74Å; F362-Y364 HydrophobicContact CE2-CG 4.04Å; F362-Y364 AromaticContact CZ-CD2 3.76Å; F362-Y364 HydrophobicContact CZ-CD2 3.76Å; F362-Y364 AromaticContact CZ-CG 3.88Å; F362-Y364 HydrophobicContact CZ-CG 3.88Å; F362-H373 HydrophobicContact CE1-CB 4.05Å; F362-H373 HydrophobicContact CZ-CB 3.78Å
363	T	78.3	Confident	74.4	Confident	78 Å²	78	61.7 Å²	61.7	48%	0.479	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	120.1	168.6	-51.2	0	0	0	0	108.3	E346 S347	E346-T363 HydrophobicContact CB-CG2 3.76Å; E346-T363 HydrophobicContact CG-CG2 3.77Å; S347-T363 CarbonylContact O-C 3.57Å; S347-T363 WeakPolarHBondContact O-CA 3.05Å
364	Y	75.8	Confident	74.6	Confident	9 Å²	9	60.7 Å²	60.7	4%	0.035	30%	0.299	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	115.2	-178.2	178.9	-129.1	0	0	0	110.4	D339 S347 S349 F362 Q366 N368 H373	D339-Y364 HydrophobicContact CB-CD2 4.36Å; D339-Y364 HydrophobicContact CB-CE2 4.14Å; S347-Y364 PolarHBondContact N-O 2.86Å; S347-Y364 PolarHBondContact O-N 2.76Å; S347-Y364 PolarHBondContact OG-O 2.84Å; S349-Y364 WeakPolarHBondContact OG-CD1 3.43Å; F362-Y364 AromaticContact CE2-CD2 3.74Å; F362-Y364 HydrophobicContact CE2-CD2 3.74Å; F362-Y364 HydrophobicContact CE2-CG 4.04Å; F362-Y364 AromaticContact CZ-CD2 3.76Å; F362-Y364 HydrophobicContact CZ-CD2 3.76Å; F362-Y364 AromaticContact CZ-CG 3.88Å; F362-Y364 HydrophobicContact CZ-CG 3.88Å; Y364-Q366 VanDerWaalsContact C-N 3.28Å; Y364-Q366 PolarHBondContact O-N 2.94Å; Y364-N368 VanDerWaalsContact OH-CA 3.28Å; Y364-N368 WeakPolarHBondContact OH-CA 3.45Å; Y364-N368 PolarHBondContact OH-N 2.95Å; Y364-N368 PolarHBondContact OH-OD1 3.43Å; Y364-N368 VanDerWaalsContact OH-OD1 3.1Å; Y364-H373 HydrophobicContact CE1-CB 4.38Å; Y364-H373 AromaticContact CE1-CD2 3.31Å; Y364-H373 WeakPolarHBondContact CE1-CD2 3.08Å; Y364-H373 AromaticContact CE1-CG 3.77Å; Y364-H373 AromaticContact CE1-NE2 3.57Å; Y364-H373 AromaticContact CZ-CD2 3.6Å; Y364-H373 AromaticContact CZ-CE1 3.71Å; Y364-H373 AromaticContact CZ-CG 3.68Å; Y364-H373 AromaticContact CZ-ND1 3.73Å; Y364-H373 AromaticContact CZ-NE2 3.62Å; Y364-H373 PolarHBondContact OH-CE1 2.83Å; Y364-H373 PolarHBondContact OH-ND1 3.44Å; Y364-H373 PolarHBondContact OH-NE2 3.22Å
365	S	75.1	Confident	74.8	Confident	11 Å²	11	64.7 Å²	64.7	8%	0.077	32%	0.317	C	S	.	.			trans	-92.9	32.3	-179.9	-51.1	0	0	0	0	112.8	C343 C367	C343-S365 WeakPolarHBondContact CB-O 3.28Å; S365-C367 VanDerWaalsContact C-N 3.29Å; S365-C367 PolarHBondContact O-N 3.03Å
366	Q	72.6	Confident	74.9	Confident	98 Å²	98	58.8 Å²	58.8	46%	0.458	30%	0.297	S	S	.	.	S	Bend	trans	61.7	24.2	171.7	-53.7	179	47.6	0	0	116.1	E345 Y364 N368	E345-Q366 PolarHBondContact O-NE2 2.91Å; Y364-Q366 VanDerWaalsContact C-N 3.28Å; Y364-Q366 PolarHBondContact O-N 2.94Å; Q366-N368 VanDerWaalsContact C-N 3.32Å; Q366-N368 PolarHBondContact O-N 2.93Å; Q366-N368 PolarHBondContact O-ND2 3.21Å
367	C	70.6	Confident	75	Confident	23 Å²	23	55.4 Å²	55.4	16%	0.155	29%	0.285	C	S	.	.			trans	-67.4	-21.6	-174.8	-61.8	0	0	0	0	115.9	D339 D341 C343 S365 K369	D339-C367 HydrophobicContact CB-CB 4.37Å; D341-C367 PolarHBondContact O-SG 3.47Å; C343-C367 HydrophobicContact CB-CB 4.08Å; C343-C367 WeakPolarHBondContact CB-SG 3Å; C343-C367 WeakPolarHBondContact SG-CB 3.36Å; C343-C367 CovalentContact SG-SG 2.04Å; C343-C367 PolarHBondContact SG-SG 2.78Å; S365-C367 VanDerWaalsContact C-N 3.29Å; S365-C367 PolarHBondContact O-N 3.03Å; C367-K369 HydrophobicContact CB-CG 4.19Å; C367-K369 PolarHBondContact O-N 2.96Å; C367-K369 VanDerWaalsContact O-N 3.09Å
368	N	72.5	Confident	74.6	Confident	101 Å²	101	56.7 Å²	56.7	54%	0.54	29%	0.288	S	S	.	.			trans	50.2	31.8	175.8	-70.6	-73.5	0	0	0	115.9	Y364 Q366 H373	Y364-N368 VanDerWaalsContact OH-CA 3.28Å; Y364-N368 WeakPolarHBondContact OH-CA 3.45Å; Y364-N368 PolarHBondContact OH-N 2.95Å; Y364-N368 PolarHBondContact OH-OD1 3.43Å; Y364-N368 VanDerWaalsContact OH-OD1 3.1Å; Q366-N368 VanDerWaalsContact C-N 3.32Å; Q366-N368 PolarHBondContact O-N 2.93Å; Q366-N368 PolarHBondContact O-ND2 3.21Å; N368-H373 PolarHBondContact OD1-CE1 3.25Å
369	K	75.6	Confident	75.2	Confident	120 Å²	120	57.7 Å²	57.7	52%	0.522	30%	0.296	S	S	.	.	S	Bend	trans	-82.7	-24.3	178.1	-49.5	179.9	-178.2	-178	0	111.7	D339 D341 C367	D339-K369 WeakPolarHBondContact OD1-CB 3.43Å; D339-K369 WeakPolarHBondContact OD2-CA 3.5Å; D339-K369 WeakPolarHBondContact OD2-CB 3.45Å; D339-K369 PolarHBondContact OD2-N 3.06Å; D341-K369 IonicContact OD1-NZ 2.95Å; D341-K369 PolarHBondContact OD1-NZ 2.89Å; D341-K369 WeakPolarHBondContact OD2-CE 3.42Å; D341-K369 IonicContact OD2-NZ 2.7Å; D341-K369 PolarHBondContact OD2-NZ 2.86Å; C367-K369 HydrophobicContact CB-CG 4.19Å; C367-K369 PolarHBondContact O-N 2.96Å; C367-K369 VanDerWaalsContact O-N 3.09Å
370	N	79.8	Confident	75.2	Confident	9 Å²	9	57.4 Å²	57.4	5%	0.048	29%	0.294	C	S	.	.			trans	-141.5	157.9	169.5	84.1	84.5	0	0	0	112.4	E333 K336 S337 D339 N372 H373	E333-N370 WeakPolarHBondContact OE1-CA 2.97Å; E333-N370 WeakPolarHBondContact OE1-CB 3.26Å; K336-N370 HydrophobicContact CB-CB 4.32Å; K336-N370 HydrophobicContact CD-CB 3.57Å; S337-N370 PolarHBondContact O-ND2 2.04Å; D339-N370 PolarHBondContact OD1-ND2 3.13Å; D339-N370 PolarHBondContact OD2-N 3.37Å; N370-N372 WeakPolarHBondContact OD1-CA 3.21Å; N370-N372 WeakPolarHBondContact OD1-CB 3.08Å; N370-N372 PolarHBondContact OD1-N 3.37Å; N370-H373 PolarHBondContact O-CE1 3.18Å; N370-H373 PolarHBondContact O-ND1 2.82Å
371	L	82.6	Confident	75	Confident	89 Å²	89	56.6 Å²	56.6	47%	0.466	29%	0.292	S	S	.	.	S	Bend	trans	-97	9.5	-178.3	-41.8	173.2	0	0	0	113.7	F329 E333 H373	F329-L371 HydrophobicContact CE2-CB 4.01Å; F329-L371 HydrophobicContact CZ-CB 3.99Å; F329-L371 VanDerWaalsContact CZ-O 3.29Å; F329-L371 WeakPolarHBondContact CZ-O 3.29Å; E333-L371 HydrophobicContact CG-CB 3.74Å; E333-L371 HydrophobicContact CG-CG 4.26Å; E333-L371 PolarHBondContact OE1-N 3.33Å; L371-H373 PolarHBondContact O-N 2.03Å
372	N	85.5	Confident	74.7	Confident	0 Å²	0	60.9 Å²	60.9	0%	0	31%	0.312	C	S	.	.			trans	-76.4	46.8	168.5	-165.3	11.4	0	0	0	110.5	K336 Y351 Y352 N370 F374	K336-N372 PolarHBondContact O-ND2 3.35Å; Y351-N372 WeakPolarHBondContact CA-O 3.1Å; Y351-N372 WeakPolarHBondContact CB-O 3.41Å; Y352-N372 WeakPolarHBondContact CB-OD1 3.27Å; Y352-N372 PolarHBondContact N-OD1 3Å; Y352-N372 PolarHBondContact O-ND2 3.23Å; N370-N372 WeakPolarHBondContact OD1-CA 3.21Å; N370-N372 WeakPolarHBondContact OD1-CB 3.08Å; N370-N372 PolarHBondContact OD1-N 3.37Å; N372-F374 WeakPolarHBondContact OD1-CE2 3.49Å
373	H	85.9	Confident	74.4	Confident	34 Å²	34	61.2 Å²	61.2	16%	0.157	32%	0.317	C	S	.	.			trans	-136.3	132.7	174.1	74	-95.8	0	0	0	108.2	W350 F362 Y364 N368 N370 L371	W350-H373 CarbonylContact O-C 3.57Å; W350-H373 VanDerWaalsContact O-CA 3.26Å; W350-H373 WeakPolarHBondContact O-CA 3.32Å; F362-H373 HydrophobicContact CE1-CB 4.05Å; F362-H373 HydrophobicContact CZ-CB 3.78Å; Y364-H373 HydrophobicContact CE1-CB 4.38Å; Y364-H373 AromaticContact CE1-CD2 3.31Å; Y364-H373 WeakPolarHBondContact CE1-CD2 3.08Å; Y364-H373 AromaticContact CE1-CG 3.77Å; Y364-H373 AromaticContact CE1-NE2 3.57Å; Y364-H373 AromaticContact CZ-CD2 3.6Å; Y364-H373 AromaticContact CZ-CE1 3.71Å; Y364-H373 AromaticContact CZ-CG 3.68Å; Y364-H373 AromaticContact CZ-ND1 3.73Å; Y364-H373 AromaticContact CZ-NE2 3.62Å; Y364-H373 PolarHBondContact OH-CE1 2.83Å; Y364-H373 PolarHBondContact OH-ND1 3.44Å; Y364-H373 PolarHBondContact OH-NE2 3.22Å; N368-H373 PolarHBondContact OD1-CE1 3.25Å; N370-H373 PolarHBondContact O-CE1 3.18Å; N370-H373 PolarHBondContact O-ND1 2.82Å; L371-H373 PolarHBondContact O-N 2.03Å
374	F	83.3	Confident	74.2	Confident	14 Å²	14	58.3 Å²	58.3	6%	0.061	30%	0.3	C	S	.	.	B	Isolated β-bridge	trans	-142.7	144.5	-173.5	-50.3	-85.5	0	0	0	110.7	F329 W350 N372 T376 V379 C380	F329-F374 HydrophobicContact CD2-CE1 4.31Å; F329-F374 HydrophobicContact CE1-CZ 4.05Å; F329-F374 AromaticContact CE2-CE1 3.83Å; F329-F374 HydrophobicContact CE2-CE1 3.83Å; F329-F374 HydrophobicContact CE2-CZ 4.12Å; F329-F374 AromaticContact CZ-CE1 3.95Å; F329-F374 HydrophobicContact CZ-CE1 3.95Å; F329-F374 AromaticContact CZ-CZ 3.74Å; F329-F374 HydrophobicContact CZ-CZ 3.74Å; W350-F374 HydrophobicContact CB-CB 4.43Å; W350-F374 PolarHBondContact N-O 3.23Å; W350-F374 WeakPolarHBondContact O-CD2 3.27Å; W350-F374 PolarHBondContact O-N 3.19Å; N372-F374 WeakPolarHBondContact OD1-CE2 3.49Å; F374-T376 PolarHBondContact O-N 2.84Å; F374-V379 HydrophobicContact CD1-CG1 3.9Å; F374-C380 HydrophobicContact CB-CB 3.88Å; F374-C380 HydrophobicContact CD2-CB 3.37Å; F374-C380 WeakPolarHBondContact CD2-SG 3.05Å; F374-C380 HydrophobicContact CE2-CB 4Å; F374-C380 HydrophobicContact CG-CB 3.71Å
375	D	73	Confident	73.7	Confident	142 Å²	142	58.9 Å²	58.9	76%	0.759	31%	0.309	S	S	*	.	S	Bend	trans	-69.6	-23.8	-179.6	-50.1	-52.8	0	0	0	112.8
376	T	64.1	Low	73	Confident	62 Å²	62	60.6 Å²	60.6	38%	0.38	33%	0.328	S	S	.	.	S	Bend	trans	-137.8	150.9	-178.9	68.6	0	0	0	0	112.8	W350 F374 E378 V379 C380	W350-T376 VanDerWaalsContact CD1-C 3.44Å; F374-T376 PolarHBondContact O-N 2.84Å; T376-E378 PolarHBondContact O-N 2.86Å; T376-V379 PolarHBondContact O-N 2.59Å; T376-V379 WeakPolarHBondContact OG1-CG2 3.43Å; T376-V379 PolarHBondContact OG1-N 3.3Å; T376-C380 WeakPolarHBondContact O-CB 3.47Å; T376-C380 PolarHBondContact O-N 3.12Å; T376-C380 VanDerWaalsContact O-N 3.07Å
377	Y	63.8	Low	71.9	Confident	93 Å²	93	65.4 Å²	65.4	37%	0.365	35%	0.35	S	S	.	.	H	α-helix	trans	-54.1	-38.1	169.3	176.8	-94.4	0	0	0	112.6	W350 N358 C359 C380 M381	W350-Y377 AromaticContact CE3-CD2 3.8Å; W350-Y377 HydrophobicContact CE3-CD2 3.8Å; W350-Y377 HydrophobicContact CE3-CG 4.35Å; W350-Y377 HydrophobicContact CH2-CD2 4.25Å; W350-Y377 HydrophobicContact CH2-CG 4.47Å; W350-Y377 AromaticContact CZ3-CD2 3.58Å; W350-Y377 HydrophobicContact CZ3-CD2 3.58Å; W350-Y377 HydrophobicContact CZ3-CG 4.18Å; N358-Y377 WeakPolarHBondContact OD1-CE2 3.43Å; N358-Y377 PolarHBondContact OD1-OH 2.91Å; C359-Y377 HydrophobicContact CB-CD2 3.77Å; C359-Y377 HydrophobicContact CB-CE2 3.97Å; Y377-C380 WeakPolarHBondContact O-CB 3.43Å; Y377-C380 PolarHBondContact O-N 2.62Å; Y377-M381 HydrophobicContact CD1-CG 4.19Å; Y377-M381 HydrophobicContact CD2-CG 4.3Å; Y377-M381 HydrophobicContact CE1-CG 3.71Å; Y377-M381 HydrophobicContact CE2-CG 3.85Å; Y377-M381 HydrophobicContact CE2-SD 4.34Å; Y377-M381 HydrophobicContact CG-CG 4.47Å; Y377-M381 WeakPolarHBondContact O-CG 3.32Å; Y377-M381 PolarHBondContact O-N 3.29Å
378	E	54.7	Low	70.7	Confident	100 Å²	100	69.6 Å²	69.6	47%	0.467	37%	0.371	S	S	.	.	H	α-helix	trans	-69.6	-44.6	-175.2	-59.4	-173.9	174.2	0	0	111.3	K224 T376 M381 L382	K224-E378 IonicContact NZ-OE1 2.59Å; K224-E378 PolarHBondContact NZ-OE1 3Å; T376-E378 PolarHBondContact O-N 2.86Å; E378-M381 PolarHBondContact O-N 3.12Å; E378-L382 WeakPolarHBondContact O-CB 3.49Å; E378-L382 WeakPolarHBondContact O-CD1 3.28Å; E378-L382 VanDerWaalsContact O-CG 3.24Å; E378-L382 WeakPolarHBondContact O-CG 3.37Å; E378-L382 PolarHBondContact O-N 2.96Å
379	V	73.3	Confident	69.4	Low	73 Å²	73	67 Å²	67	44%	0.442	36%	0.363	S	S	.	.	H	α-helix	trans	-65.4	-39.3	173.3	176.1	0	0	0	0	111.4	F374 T376 L382 S383	F374-V379 HydrophobicContact CD1-CG1 3.9Å; T376-V379 PolarHBondContact O-N 2.59Å; T376-V379 WeakPolarHBondContact OG1-CG2 3.43Å; T376-V379 PolarHBondContact OG1-N 3.3Å; V379-L382 PolarHBondContact O-N 2.93Å; V379-S383 VanDerWaalsContact O-CB 3.24Å; V379-S383 WeakPolarHBondContact O-CB 3.14Å; V379-S383 PolarHBondContact O-N 3.01Å; V379-S383 PolarHBondContact O-OG 3.25Å
380	C	77.3	Confident	68.4	Low	0 Å²	0	64.3 Å²	64.3	0%	0	36%	0.363	C	S	.	.	H	α-helix	trans	-59.9	-48.9	175.6	-177.2	0	0	0	0	112.5	W350 C359 F374 T376 Y377 S383 C384	W350-C380 HydrophobicContact CB-CB 4.13Å; C359-C380 HydrophobicContact CB-CB 3.79Å; C359-C380 WeakPolarHBondContact CB-SG 3.42Å; C359-C380 WeakPolarHBondContact SG-CB 2.97Å; C359-C380 CovalentContact SG-SG 2.03Å; C359-C380 PolarHBondContact SG-SG 3.46Å; F374-C380 HydrophobicContact CB-CB 3.88Å; F374-C380 HydrophobicContact CD2-CB 3.37Å; F374-C380 WeakPolarHBondContact CD2-SG 3.05Å; F374-C380 HydrophobicContact CE2-CB 4Å; F374-C380 HydrophobicContact CG-CB 3.71Å; T376-C380 WeakPolarHBondContact O-CB 3.47Å; T376-C380 PolarHBondContact O-N 3.12Å; T376-C380 VanDerWaalsContact O-N 3.07Å; Y377-C380 WeakPolarHBondContact O-CB 3.43Å; Y377-C380 PolarHBondContact O-N 2.62Å; C380-S383 PolarHBondContact O-N 2.82Å; C380-C384 PolarHBondContact O-N 3.12Å
381	M	74.3	Confident	67.7	Low	43 Å²	43	65.1 Å²	65.1	21%	0.212	37%	0.369	C	S	.	.	H	α-helix	trans	-69.5	-35.7	178.6	-70.4	-59.2	-65.9	0	0	112.4	C359 Y377 E378 S383 G385	C359-M381 HydrophobicContact CB-CG 4.3Å; C359-M381 HydrophobicContact CB-SD 4.05Å; Y377-M381 HydrophobicContact CD1-CG 4.19Å; Y377-M381 HydrophobicContact CD2-CG 4.3Å; Y377-M381 HydrophobicContact CE1-CG 3.71Å; Y377-M381 HydrophobicContact CE2-CG 3.85Å; Y377-M381 HydrophobicContact CE2-SD 4.34Å; Y377-M381 HydrophobicContact CG-CG 4.47Å; Y377-M381 WeakPolarHBondContact O-CG 3.32Å; Y377-M381 PolarHBondContact O-N 3.29Å; E378-M381 PolarHBondContact O-N 3.12Å; M381-S383 VanDerWaalsContact C-N 3.3Å; M381-S383 PolarHBondContact O-N 2.88Å; M381-G385 WeakPolarHBondContact O-CA 3.38Å; M381-G385 PolarHBondContact O-N 3.37Å
382	L	70.2	Confident	67.1	Low	155 Å²	155	61.1 Å²	61.1	81%	0.812	35%	0.348	S	S	*	.	H	α-helix	trans	-69.1	-26.6	174.4	-72.8	167.7	0	0	0	113.3	E378 V379	E378-L382 WeakPolarHBondContact O-CB 3.49Å; E378-L382 WeakPolarHBondContact O-CD1 3.28Å; E378-L382 VanDerWaalsContact O-CG 3.24Å; E378-L382 WeakPolarHBondContact O-CG 3.37Å; E378-L382 PolarHBondContact O-N 2.96Å; V379-L382 PolarHBondContact O-N 2.93Å
383	S	74.8	Confident	66.3	Low	32 Å²	32	64.4 Å²	64.4	22%	0.224	37%	0.372	C	S	.	.	H	α-helix	trans	-87.7	-32.3	-178.6	-58.7	0	0	0	0	113.5	V379 C380 M381	V379-S383 VanDerWaalsContact O-CB 3.24Å; V379-S383 WeakPolarHBondContact O-CB 3.14Å; V379-S383 PolarHBondContact O-N 3.01Å; V379-S383 PolarHBondContact O-OG 3.25Å; C380-S383 PolarHBondContact O-N 2.82Å; M381-S383 VanDerWaalsContact C-N 3.3Å; M381-S383 PolarHBondContact O-N 2.88Å
384	C	74.9	Confident	65.6	Low	16 Å²	16	65.7 Å²	65.7	11%	0.108	38%	0.379	C	S	.	.	H	α-helix	trans	-134.3	-17.9	-170.9	-70	0	0	0	0	115.9	F329 C334 Y352 C380 G386	F329-C384 VanDerWaalsContact CE1-SG 3.52Å; C334-C384 VanDerWaalsContact CA-SG 3.58Å; C334-C384 HydrophobicContact CB-CB 3.66Å; C334-C384 WeakPolarHBondContact CB-SG 3.05Å; C334-C384 WeakPolarHBondContact SG-CA 3.33Å; C334-C384 WeakPolarHBondContact SG-CB 3.18Å; C334-C384 CovalentContact SG-SG 2.04Å; C334-C384 PolarHBondContact SG-SG 2.96Å; Y352-C384 HydrophobicContact CD1-CB 3.58Å; Y352-C384 HydrophobicContact CD2-CB 3.84Å; Y352-C384 HydrophobicContact CE1-CB 4.09Å; Y352-C384 HydrophobicContact CE2-CB 4.36Å; Y352-C384 WeakPolarHBondContact CE2-O 3.33Å; Y352-C384 HydrophobicContact CG-CB 3.41Å; Y352-C384 VanDerWaalsContact CG-CB 3.41Å; Y352-C384 PolarHBondContact OH-O 2.02Å; C380-C384 PolarHBondContact O-N 3.12Å; C384-G386 PolarHBondContact O-N 2.92Å
385	G	63.9	Low	65.1	Low	22 Å²	22	69.6 Å²	69.6	23%	0.227	41%	0.406	C	S	.	.	S	Bend	trans	-77.5	101.8	177.2	0	0	0	0	0	110.8	M381	M381-G385 WeakPolarHBondContact O-CA 3.38Å; M381-G385 PolarHBondContact O-N 3.37Å
386	G	60.3	Low	65.7	Low	47 Å²	47	66 Å²	66	49%	0.485	39%	0.392	S	S	.	.			trans	-56.3	140.4	179	0	0	0	0	0	112.3	C384 L388	C384-G386 PolarHBondContact O-N 2.92Å; G386-L388 PolarHBondContact O-N 2.82Å
387	E	49.2	Very low	66.6	Low	198 Å²	198	66.6 Å²	66.6	93%	0.925	39%	0.393	S	S	*	.			trans	-48.6	117.8	-167	-62.5	176.5	127.3	0	0	113.8	A389	E387-A389 PolarHBondContact O-N 2.91Å
388	L	46.4	Very low	67.9	Low	112 Å²	112	66.3 Å²	66.3	59%	0.586	40%	0.395	S	S	*	.			trans	-78.7	112.2	156.9	-73.4	171.7	0	0	0	107.4	G386 A390 P443	G386-L388 PolarHBondContact O-N 2.82Å; L388-A390 PolarHBondContact O-N 2.88Å; L388-P443 HydrophobicContact CD2-CG 3.96Å
389	A	45.6	Very low	69.5	Low	46 Å²	46	62.6 Å²	62.6	38%	0.38	38%	0.383	S	S	.	.			trans	-52.1	136	-178.9	0	0	0	0	0	111.6	E387 P391 C392	E387-A389 PolarHBondContact O-N 2.91Å; A389-P391 VanDerWaalsContact C-N 3.33Å; A389-P391 VanDerWaalsContact O-N 3.09Å; A389-C392 PolarHBondContact O-N 3.46Å
390	A	54.8	Low	69.9	Low	63 Å²	63	64.3 Å²	64.3	52%	0.521	40%	0.395	S	S	.	.	G	3₁₀ helix	trans	-46.9	-43.8	-169.2	0	0	0	0	0	115	L388 C392 S393	L388-A390 PolarHBondContact O-N 2.88Å; A390-C392 PolarHBondContact O-N 3.34Å; A390-S393 PolarHBondContact O-OG 2.65Å
391	P	64	Low	70.6	Confident	26 Å²	26	66.7 Å²	66.7	17%	0.169	41%	0.412	C	S	.	.	G	3₁₀ helix	trans	-57.7	-47.7	178.2	-26.2	35.9	0	0	0	113.5	A389 S393 L394 E429 N430 F432	A389-P391 VanDerWaalsContact C-N 3.33Å; A389-P391 VanDerWaalsContact O-N 3.09Å; P391-S393 PolarHBondContact O-N 2.75Å; P391-L394 PolarHBondContact O-N 3.4Å; P391-L394 VanDerWaalsContact O-N 3.14Å; P391-E429 HydrophobicContact CB-CB 3.96Å; P391-E429 HydrophobicContact CG-CB 3.98Å; P391-N430 WeakPolarHBondContact O-CB 3.49Å; P391-F432 HydrophobicContact CB-CZ 4.11Å
392	C	70.9	Confident	71.4	Confident	5 Å²	5	72.5 Å²	72.5	3%	0.034	44%	0.436	C	S	.	.	G	3₁₀ helix	trans	-74.5	-3.2	-164.9	-48.8	0	0	0	0	114.2	A389 A390 Y410 C442	A389-C392 PolarHBondContact O-N 3.46Å; A390-C392 PolarHBondContact O-N 3.34Å; C392-Y410 HydrophobicContact CB-CD1 3.97Å; C392-Y410 HydrophobicContact CB-CG 4.45Å; C392-Y410 WeakPolarHBondContact O-CD1 3.31Å; C392-C442 HydrophobicContact CB-CB 3.74Å; C392-C442 WeakPolarHBondContact CB-SG 3.48Å; C392-C442 WeakPolarHBondContact SG-CA 3.37Å; C392-C442 WeakPolarHBondContact SG-CB 2.96Å; C392-C442 CovalentContact SG-SG 2.03Å; C392-C442 PolarHBondContact SG-SG 2.76Å
393	S	68	Low	72.2	Confident	70 Å²	70	68 Å²	68	49%	0.49	42%	0.421	S	S	.	.	G	3₁₀ helix	trans	-97.7	-16.4	176.6	70.2	0	0	0	0	113.4	A390 P391	A390-S393 PolarHBondContact O-OG 2.65Å; P391-S393 PolarHBondContact O-N 2.75Å
394	L	70	Confident	72.8	Confident	61 Å²	61	73.1 Å²	73.1	32%	0.319	44%	0.436	S	S	.	.	S	Bend	trans	-84.3	153.7	-175.2	-55	172.8	0	0	0	111	P391 N428 E429 N430	P391-L394 PolarHBondContact O-N 3.4Å; P391-L394 VanDerWaalsContact O-N 3.14Å; L394-N428 HydrophobicContact CD1-CB 4.15Å; L394-E429 HydrophobicContact CD1-CB 4.19Å; L394-N430 HydrophobicContact CB-CB 4.18Å; L394-N430 PolarHBondContact O-ND2 2.92Å
395	P	73.8	Confident	73.2	Confident	96 Å²	96	76.2 Å²	76.2	62%	0.623	45%	0.449	S	S	*	.	P	Polyproline II helix	trans	-69.5	155.3	170.1	31	-35.6	0	0	0	110.9	N428	P395-N428 PolarHBondContact O-ND2 2.88Å; P395-N428 PolarHBondContact O-OD1 2.9Å
396	S	85.1	Confident	74.3	Confident	67 Å²	67	80.4 Å²	80.4	47%	0.469	47%	0.472	S	S	.	.	P	Polyproline II helix	trans	-63.5	134.8	165.5	47.8	0	0	0	0	110.2
397	L	84.1	Confident	75.8	Confident	74 Å²	74	80.4 Å²	80.4	39%	0.387	46%	0.458	S	S	.	.			trans	-131.5	109.6	-173.5	-177.8	58.5	0	0	0	111.7	G426 N428	L397-G426 WeakPolarHBondContact CD2-O 3.43Å; L397-N428 HydrophobicContact CD2-CB 4.3Å
398	Q	89.9	Confident	77.6	Confident	87 Å²	87	74.2 Å²	74.2	41%	0.407	43%	0.426	S	S	.	.			trans	-64.7	-37.4	177.7	-179.5	166.7	32.1	0	0	112.7	V421 Y422 G423	Q398-V421 WeakPolarHBondContact CB-O 3.38Å; Q398-V421 WeakPolarHBondContact CG-O 3.39Å; Q398-Y422 WeakPolarHBondContact O-CD2 3.34Å; Q398-G423 WeakPolarHBondContact O-CA 3.41Å; Q398-G423 PolarHBondContact O-N 3.25Å
399	G	88.5	Confident	79.5	Confident	22 Å²	22	69.1 Å²	69.1	23%	0.227	40%	0.4	C	S	.	.			trans	72.5	175.3	-175.6	0	0	0	0	0	114.1	C425 G426	G399-C425 WeakPolarHBondContact CA-O 3.33Å; G399-G426 WeakPolarHBondContact CA-O 3.38Å
400	P	82.9	Confident	81.2	Confident	108 Å²	108	67.6 Å²	67.6	70%	0.701	39%	0.385	S	S	*	.	S	Bend	trans	-86.2	-10	-166.2	33.2	-36.6	0	0	0	115.5	C425	P400-C425 WeakPolarHBondContact CD-O 3.09Å
401	C	92	Very high	82.4	Confident	50 Å²	50	65.7 Å²	65.7	34%	0.338	37%	0.367	S	S	.	.			trans	-78.3	166.1	179.3	-74.2	0	0	0	0	112.6	G423 C425	C401-G423 CarbonylContact C-O 3.6Å; C401-G423 WeakPolarHBondContact CA-O 3.47Å; C401-G423 WeakPolarHBondContact CB-O 3.01Å; C401-G423 VanDerWaalsContact O-CA 3.29Å; C401-G423 WeakPolarHBondContact O-CA 3.33Å; C401-C425 HydrophobicContact CB-CB 3.78Å; C401-C425 WeakPolarHBondContact CB-SG 3.36Å; C401-C425 WeakPolarHBondContact SG-CB 3.41Å; C401-C425 CovalentContact SG-SG 2.03Å; C401-C425 PolarHBondContact SG-SG 2.83Å
402	K	90.2	Very high	82.5	Confident	166 Å²	166	67.7 Å²	67.7	72%	0.722	38%	0.382	S	S	*	.			trans	-119.6	20.9	-176.4	-55.4	-169.2	179.3	-175.9	0	113.8	Y404 G423	K402-Y404 HydrophobicContact CB-CE1 4.47Å; K402-Y404 HydrophobicContact CB-CE2 4.12Å; K402-Y404 PolarHBondContact O-N 3.02Å; K402-G423 PolarHBondContact N-O 3.1Å
403	A	87.4	Confident	82.2	Confident	61 Å²	61	73.5 Å²	73.5	50%	0.504	42%	0.417	S	S	.	.			trans	-87.8	82.1	170.3	0	0	0	0	0	107.8	E405 G423 G424	A403-E405 PolarHBondContact O-N 3.33Å; A403-G423 CarbonylContact C-O 3.45Å; A403-G423 PolarHBondContact N-O 3.07Å; A403-G423 CarbonylContact O-C 3.58Å; A403-G424 PolarHBondContact O-N 3.15Å
404	Y	87.6	Confident	82	Confident	139 Å²	139	75.1 Å²	75.1	55%	0.545	42%	0.42	S	S	.	.			trans	-74.3	115	-168.4	-61.2	-54.1	0	0	0	112.5	K402 V421 Y422	K402-Y404 HydrophobicContact CB-CE1 4.47Å; K402-Y404 HydrophobicContact CB-CE2 4.12Å; K402-Y404 PolarHBondContact O-N 3.02Å; Y404-V421 HydrophobicContact CD1-CG1 3.71Å; Y404-V421 HydrophobicContact CG-CG1 4.06Å; Y404-Y422 CarbonylContact C-O 3.55Å; Y404-Y422 VanDerWaalsContact CA-O 3.31Å; Y404-Y422 WeakPolarHBondContact CA-O 3.3Å
405	E	82.1	Confident	82	Confident	81 Å²	81	78.8 Å²	78.8	38%	0.379	43%	0.433	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	139.4	177.7	-68	178.5	-175.9	0	0	110.7	A403 R407 Y422	A403-E405 PolarHBondContact O-N 3.33Å; E405-R407 IonicContact OE2-CZ 2.7Å; E405-R407 VanDerWaalsContact OE2-CZ 3.28Å; E405-R407 IonicContact OE2-NE 3.27Å; E405-R407 PolarHBondContact OE2-NE 2.78Å; E405-R407 IonicContact OE2-NH2 2.73Å; E405-R407 PolarHBondContact OE2-NH2 3.44Å; E405-Y422 PolarHBondContact N-O 3.26Å; E405-Y422 PolarHBondContact O-N 3.2Å
406	P	87.4	Confident	82.2	Confident	109 Å²	109	78.7 Å²	78.7	71%	0.708	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-72.3	128.7	169.1	30.7	-32.6	0	0	0	110.1
407	R	91	Very high	82.2	Confident	47 Å²	47	76 Å²	76	18%	0.177	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134	169.7	177.6	-61.7	-62.5	-169.5	110.1	-12.5	110.2	E405 S419 F420 Y422 N431	E405-R407 IonicContact OE2-CZ 2.7Å; E405-R407 VanDerWaalsContact OE2-CZ 3.28Å; E405-R407 IonicContact OE2-NE 3.27Å; E405-R407 PolarHBondContact OE2-NE 2.78Å; E405-R407 IonicContact OE2-NH2 2.73Å; E405-R407 PolarHBondContact OE2-NH2 3.44Å; R407-S419 CarbonylContact O-C 3.07Å; R407-S419 VanDerWaalsContact O-CA 3.25Å; R407-S419 WeakPolarHBondContact O-CA 3.25Å; R407-F420 HydrophobicContact CB-CD1 4.12Å; R407-F420 HydrophobicContact CB-CE1 3.62Å; R407-F420 HydrophobicContact CB-CZ 3.94Å; R407-F420 PolarHBondContact N-O 3.02Å; R407-F420 PolarHBondContact O-N 3.48Å; R407-Y422 VanDerWaalsContact CG-CB 3.42Å; R407-Y422 HydrophobicContact CG-CD1 4.21Å; R407-Y422 HydrophobicContact CG-CG 4.16Å; R407-N431 WeakPolarHBondContact CB-OD1 3.06Å; R407-N431 WeakPolarHBondContact CD-OD1 3.34Å; R407-N431 VanDerWaalsContact CG-OD1 3.25Å; R407-N431 WeakPolarHBondContact CG-OD1 3.42Å; R407-N431 PolarHBondContact NH1-OD1 3.4Å
408	W	88.4	Confident	82.3	Confident	69 Å²	69	76.7 Å²	76.7	26%	0.261	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	146.5	178	-69.6	83.9	0	0	0	111.6	C417 Q418 F432 K435 C438	W408-C417 HydrophobicContact CE3-CB 4.34Å; W408-Q418 CarbonylContact C-O 3.4Å; W408-Q418 WeakPolarHBondContact CA-O 3.18Å; W408-F432 HydrophobicContact CB-CB 4.22Å; W408-F432 PolarHBondContact N-O 3.48Å; W408-F432 WeakPolarHBondContact O-CD2 3.2Å; W408-F432 PolarHBondContact O-N 2.81Å; W408-K435 HydrophobicContact CD2-CB 3.77Å; W408-K435 HydrophobicContact CD2-CG 4.45Å; W408-K435 HydrophobicContact CE3-CB 3.82Å; W408-K435 HydrophobicContact CE3-CG 3.98Å; W408-K435 HydrophobicContact CG-CB 4.43Å; W408-K435 HydrophobicContact CH2-CB 4.04Å; W408-K435 HydrophobicContact CH2-CD 3.93Å; W408-K435 HydrophobicContact CH2-CG 4.17Å; W408-K435 HydrophobicContact CZ2-CB 3.97Å; W408-K435 HydrophobicContact CZ3-CB 3.95Å; W408-K435 HydrophobicContact CZ3-CD 3.94Å; W408-K435 HydrophobicContact CZ3-CG 3.83Å; W408-C438 HydrophobicContact CB-CB 4.25Å
409	A	86	Confident	82.2	Confident	5 Å²	5	76.5 Å²	76.5	4%	0.041	41%	0.413	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.9	144.9	177.5	0	0	0	0	0	110.6	C417 Q418 F420 N430 C438	A409-C417 CarbonylContact O-C 3.6Å; A409-C417 WeakPolarHBondContact O-CA 3.33Å; A409-Q418 PolarHBondContact N-O 2.04Å; A409-Q418 PolarHBondContact O-N 2.86Å; A409-F420 HydrophobicContact CB-CD1 3.73Å; A409-F420 HydrophobicContact CB-CE1 3.73Å; A409-N430 VanDerWaalsContact CA-OD1 3.32Å; A409-N430 WeakPolarHBondContact CA-OD1 3.29Å; A409-N430 WeakPolarHBondContact CB-O 2.92Å; A409-C438 VanDerWaalsContact C-SG 3.53Å
410	Y	81.9	Confident	82.2	Confident	14 Å²	14	76.8 Å²	76.8	6%	0.055	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	119.8	175.7	179.9	-98.2	0	0	0	110.6	C392 S412 K415 N430 C438 C442 P443	C392-Y410 HydrophobicContact CB-CD1 3.97Å; C392-Y410 HydrophobicContact CB-CG 4.45Å; C392-Y410 WeakPolarHBondContact O-CD1 3.31Å; Y410-S412 PolarHBondContact O-N 3.18Å; Y410-K415 WeakPolarHBondContact OH-CA 3.44Å; Y410-N430 PolarHBondContact N-OD1 2.84Å; Y410-N430 PolarHBondContact O-ND2 2.9Å; Y410-C438 PolarHBondContact N-SG 2.84Å; Y410-C438 VanDerWaalsContact N-SG 3.38Å; Y410-C442 WeakPolarHBondContact CB-SG 3.36Å; Y410-C442 HydrophobicContact CD1-CB 4.07Å; Y410-C442 HydrophobicContact CD2-CB 3.46Å; Y410-C442 VanDerWaalsContact CD2-CB 3.46Å; Y410-C442 HydrophobicContact CE2-CB 4.11Å; Y410-C442 HydrophobicContact CG-CB 3.43Å; Y410-C442 VanDerWaalsContact CG-CB 3.43Å; Y410-P443 HydrophobicContact CE1-CG 4.17Å; Y410-P443 PolarHBondContact OH-O 3.24Å
411	S	78.6	Confident	82.4	Confident	22 Å²	22	75.2 Å²	75.2	15%	0.154	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	103.9	174.9	-178.7	0	0	0	0	109.7	T413 L414 K415 K416 Q418	S411-T413 PolarHBondContact O-N 2.71Å; S411-L414 PolarHBondContact O-N 3.1Å; S411-L414 PolarHBondContact OG-N 3.01Å; S411-K415 WeakPolarHBondContact O-CA 3.34Å; S411-K415 PolarHBondContact O-N 3.39Å; S411-K416 WeakPolarHBondContact CB-O 3.41Å; S411-K416 PolarHBondContact N-O 3.45Å; S411-Q418 PolarHBondContact OG-OE1 3.2Å
412	S	66.8	Low	82.4	Confident	68 Å²	68	74.2 Å²	74.2	48%	0.476	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-30.8	177.1	58.2	0	0	0	0	112.7	Y410	Y410-S412 PolarHBondContact O-N 3.18Å
413	T	63.5	Low	82.2	Confident	127 Å²	127	66.3 Å²	66.3	78%	0.779	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-44.2	174.1	-49.6	0	0	0	0	112.6	S411	S411-T413 PolarHBondContact O-N 2.71Å
414	L	65.7	Low	82.1	Confident	104 Å²	104	65 Å²	65	55%	0.545	34%	0.344	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98	-9.6	-176	-61.7	179.6	0	0	0	113.8	S411 K416	S411-L414 PolarHBondContact O-N 3.1Å; S411-L414 PolarHBondContact OG-N 3.01Å; L414-K416 PolarHBondContact O-N 2.94Å
415	K	69.8	Low	82	Confident	138 Å²	138	60.4 Å²	60.4	60%	0.6	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	34.7	-172.9	-55	-173	-179.9	-173.4	0	113.7	Y410 S411	Y410-K415 WeakPolarHBondContact OH-CA 3.44Å; S411-K415 WeakPolarHBondContact O-CA 3.34Å; S411-K415 PolarHBondContact O-N 3.39Å
416	K	77.4	Confident	81.9	Confident	94 Å²	94	58.8 Å²	58.8	41%	0.409	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.4	151.3	-179.7	-69.2	-164.2	172.8	-167.8	0	110.5	S411 L414 F444 N519	S411-K416 WeakPolarHBondContact CB-O 3.41Å; S411-K416 PolarHBondContact N-O 3.45Å; L414-K416 PolarHBondContact O-N 2.94Å; K416-F444 HydrophobicContact CB-CE2 4.35Å; K416-F444 HydrophobicContact CG-CE2 4.05Å; K416-N519 PolarHBondContact NZ-OD1 3.05Å
417	C	84.4	Confident	81.6	Confident	10 Å²	10	55 Å²	55	7%	0.068	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.4	136.1	168.3	-70.4	0	0	0	0	110.3	W408 A409 C438 E439	W408-C417 HydrophobicContact CE3-CB 4.34Å; A409-C417 CarbonylContact O-C 3.6Å; A409-C417 WeakPolarHBondContact O-CA 3.33Å; C417-C438 HydrophobicContact CB-CB 3.75Å; C417-C438 WeakPolarHBondContact CB-SG 3.39Å; C417-C438 WeakPolarHBondContact SG-CB 3.36Å; C417-C438 CovalentContact SG-SG 2.03Å; C417-C438 PolarHBondContact SG-SG 3.31Å; C417-E439 HydrophobicContact CB-CG 3.83Å; C417-E439 VanDerWaalsContact SG-CG 3.58Å; C417-E439 PolarHBondContact SG-N 3.29Å
418	Q	87.4	Confident	81.2	Confident	90 Å²	90	54.7 Å²	54.7	42%	0.421	32%	0.319	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	147.9	-179	-59.3	-170.1	-90.3	0	0	109.8	W408 A409 S411	W408-Q418 CarbonylContact C-O 3.4Å; W408-Q418 WeakPolarHBondContact CA-O 3.18Å; A409-Q418 PolarHBondContact N-O 2.04Å; A409-Q418 PolarHBondContact O-N 2.86Å; S411-Q418 PolarHBondContact OG-OE1 3.2Å
419	S	87.8	Confident	80.9	Confident	82 Å²	82	57.3 Å²	57.3	57%	0.573	33%	0.334	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-77.7	147.9	171.4	51.1	0	0	0	0	111.1	R407	R407-S419 CarbonylContact O-C 3.07Å; R407-S419 VanDerWaalsContact O-CA 3.25Å; R407-S419 WeakPolarHBondContact O-CA 3.25Å
420	F	87.3	Confident	80.9	Confident	29 Å²	29	57.1 Å²	57.1	13%	0.127	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	162.9	171.9	79.1	-76.7	0	0	0	110.5	R407 A409 N431	R407-F420 HydrophobicContact CB-CD1 4.12Å; R407-F420 HydrophobicContact CB-CE1 3.62Å; R407-F420 HydrophobicContact CB-CZ 3.94Å; R407-F420 PolarHBondContact N-O 3.02Å; R407-F420 PolarHBondContact O-N 3.48Å; A409-F420 HydrophobicContact CB-CD1 3.73Å; A409-F420 HydrophobicContact CB-CE1 3.73Å; F420-N431 HydrophobicContact CZ-CB 4.14Å
421	V	87	Confident	81.1	Confident	74 Å²	74	57.9 Å²	57.9	45%	0.448	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	119.5	174.6	-176.9	0	0	0	0	109.2	Q398 Y404	Q398-V421 WeakPolarHBondContact CB-O 3.38Å; Q398-V421 WeakPolarHBondContact CG-O 3.39Å; Y404-V421 HydrophobicContact CD1-CG1 3.71Å; Y404-V421 HydrophobicContact CG-CG1 4.06Å
422	Y	91.9	Very high	81.7	Confident	30 Å²	30	57.8 Å²	57.8	12%	0.118	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.7	169.1	-178.8	-131.8	0	0	0	110.2	Q398 Y404 E405 R407 G424 C425 N431	Q398-Y422 WeakPolarHBondContact O-CD2 3.34Å; Y404-Y422 CarbonylContact C-O 3.55Å; Y404-Y422 VanDerWaalsContact CA-O 3.31Å; Y404-Y422 WeakPolarHBondContact CA-O 3.3Å; E405-Y422 PolarHBondContact N-O 3.26Å; E405-Y422 PolarHBondContact O-N 3.2Å; R407-Y422 VanDerWaalsContact CG-CB 3.42Å; R407-Y422 HydrophobicContact CG-CD1 4.21Å; R407-Y422 HydrophobicContact CG-CG 4.16Å; Y422-G424 VanDerWaalsContact C-N 3.33Å; Y422-G424 VanDerWaalsContact CE1-CA 3.49Å; Y422-C425 VanDerWaalsContact OH-C 3.28Å; Y422-C425 WeakPolarHBondContact OH-CA 3.14Å; Y422-C425 PolarHBondContact OH-N 3.28Å; Y422-N431 WeakPolarHBondContact CD2-ND2 3.39Å; Y422-N431 VanDerWaalsContact CG-ND2 3.34Å
423	G	86.6	Confident	82.6	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.348	C	S	.	.			trans	-85.1	-1.1	-179	0	0	0	0	0	114.8	Q398 C401 K402 A403	Q398-G423 WeakPolarHBondContact O-CA 3.41Å; Q398-G423 PolarHBondContact O-N 3.25Å; C401-G423 CarbonylContact C-O 3.6Å; C401-G423 WeakPolarHBondContact CA-O 3.47Å; C401-G423 WeakPolarHBondContact CB-O 3.01Å; C401-G423 VanDerWaalsContact O-CA 3.29Å; C401-G423 WeakPolarHBondContact O-CA 3.33Å; K402-G423 PolarHBondContact N-O 3.1Å; A403-G423 CarbonylContact C-O 3.45Å; A403-G423 PolarHBondContact N-O 3.07Å; A403-G423 CarbonylContact O-C 3.58Å
424	G	85.4	Confident	83.6	Confident	33 Å²	33	58.1 Å²	58.1	34%	0.34	32%	0.324	S	S	.	.	S	Bend	trans	89.9	-8.6	179	0	0	0	0	0	115.4	A403 Y422	A403-G424 PolarHBondContact O-N 3.15Å; Y422-G424 VanDerWaalsContact C-N 3.33Å; Y422-G424 VanDerWaalsContact CE1-CA 3.49Å
425	C	85.6	Confident	84.4	Confident	42 Å²	42	56.1 Å²	56.1	28%	0.284	31%	0.311	S	S	.	.	S	Bend	trans	-151.3	157.6	170.7	83.8	0	0	0	0	111.9	G399 P400 C401 Y422 G427	G399-C425 WeakPolarHBondContact CA-O 3.33Å; P400-C425 WeakPolarHBondContact CD-O 3.09Å; C401-C425 HydrophobicContact CB-CB 3.78Å; C401-C425 WeakPolarHBondContact CB-SG 3.36Å; C401-C425 WeakPolarHBondContact SG-CB 3.41Å; C401-C425 CovalentContact SG-SG 2.03Å; C401-C425 PolarHBondContact SG-SG 2.83Å; Y422-C425 VanDerWaalsContact OH-C 3.28Å; Y422-C425 WeakPolarHBondContact OH-CA 3.14Å; Y422-C425 PolarHBondContact OH-N 3.28Å; C425-G427 PolarHBondContact O-N 2.8Å
426	G	80.1	Confident	84.8	Confident	47 Å²	47	55.2 Å²	55.2	49%	0.485	31%	0.309	S	S	.	.	S	Bend	trans	70	28.5	170.2	0	0	0	0	0	115.5	L397 G399	L397-G426 WeakPolarHBondContact CD2-O 3.43Å; G399-G426 WeakPolarHBondContact CA-O 3.38Å
427	G	81.9	Confident	84.9	Confident	29 Å²	29	52.8 Å²	52.8	30%	0.299	31%	0.306	S	S	.	.			trans	-80.8	-167.5	169.4	0	0	0	0	0	112.9	C425	C425-G427 PolarHBondContact O-N 2.8Å
428	N	80.8	Confident	84.8	Confident	42 Å²	42	52.3 Å²	52.3	23%	0.225	30%	0.303	C	S	.	.			trans	-128.5	-173.8	171.2	66.8	26.6	0	0	0	110.1	L394 P395 L397 N430 N431	L394-N428 HydrophobicContact CD1-CB 4.15Å; P395-N428 PolarHBondContact O-ND2 2.88Å; P395-N428 PolarHBondContact O-OD1 2.9Å; L397-N428 HydrophobicContact CD2-CB 4.3Å; N428-N430 VanDerWaalsContact C-N 3.28Å; N428-N430 PolarHBondContact O-N 3.31Å; N428-N430 PolarHBondContact OD1-N 2.95Å; N428-N431 WeakPolarHBondContact O-CB 3.04Å
429	E	83.4	Confident	84.5	Confident	124 Å²	124	49.6 Å²	49.6	58%	0.579	29%	0.29	S	S	*	.	S	Bend	trans	-71.3	-14.1	-174.2	-58.7	-172.6	158.2	0	0	114.7	P391 L394 N431	P391-E429 HydrophobicContact CB-CB 3.96Å; P391-E429 HydrophobicContact CG-CB 3.98Å; L394-E429 HydrophobicContact CD1-CB 4.19Å; E429-N431 PolarHBondContact O-N 2.95Å
430	N	84.9	Confident	83.6	Confident	1 Å²	1	52.2 Å²	52.2	1%	0.005	29%	0.294	C	S	.	.			trans	-80.2	58.7	173.7	-158.6	1.8	0	0	0	110.9	P391 L394 A409 Y410 N428 F432	P391-N430 WeakPolarHBondContact O-CB 3.49Å; L394-N430 HydrophobicContact CB-CB 4.18Å; L394-N430 PolarHBondContact O-ND2 2.92Å; A409-N430 VanDerWaalsContact CA-OD1 3.32Å; A409-N430 WeakPolarHBondContact CA-OD1 3.29Å; A409-N430 WeakPolarHBondContact CB-O 2.92Å; Y410-N430 PolarHBondContact N-OD1 2.84Å; Y410-N430 PolarHBondContact O-ND2 2.9Å; N428-N430 VanDerWaalsContact C-N 3.28Å; N428-N430 PolarHBondContact O-N 3.31Å; N428-N430 PolarHBondContact OD1-N 2.95Å; N430-F432 WeakPolarHBondContact OD1-CE2 3.19Å
431	N	87.7	Confident	82.7	Confident	29 Å²	29	56.5 Å²	56.5	16%	0.155	32%	0.315	C	S	.	.			trans	-147.2	96.7	-173.2	-175.2	-26.8	0	0	0	109.4	R407 F420 Y422 N428 E429	R407-N431 WeakPolarHBondContact CB-OD1 3.06Å; R407-N431 WeakPolarHBondContact CD-OD1 3.34Å; R407-N431 VanDerWaalsContact CG-OD1 3.25Å; R407-N431 WeakPolarHBondContact CG-OD1 3.42Å; R407-N431 PolarHBondContact NH1-OD1 3.4Å; F420-N431 HydrophobicContact CZ-CB 4.14Å; Y422-N431 WeakPolarHBondContact CD2-ND2 3.39Å; Y422-N431 VanDerWaalsContact CG-ND2 3.34Å; N428-N431 WeakPolarHBondContact O-CB 3.04Å; E429-N431 PolarHBondContact O-N 2.95Å
432	F	89.6	Confident	82	Confident	21 Å²	21	53.4 Å²	53.4	9%	0.092	30%	0.297	C	S	.	.	B	Isolated β-bridge	trans	-108.1	149.6	-178.1	-55.5	-78.3	0	0	0	110.8	P391 W408 N430 A437 C438 M441	P391-F432 HydrophobicContact CB-CZ 4.11Å; W408-F432 HydrophobicContact CB-CB 4.22Å; W408-F432 PolarHBondContact N-O 3.48Å; W408-F432 WeakPolarHBondContact O-CD2 3.2Å; W408-F432 PolarHBondContact O-N 2.81Å; N430-F432 WeakPolarHBondContact OD1-CE2 3.19Å; F432-A437 HydrophobicContact CB-CB 4.32Å; F432-C438 HydrophobicContact CB-CB 3.96Å; F432-C438 HydrophobicContact CD2-CB 3.44Å; F432-C438 VanDerWaalsContact CD2-CB 3.44Å; F432-C438 HydrophobicContact CE2-CB 4.08Å; F432-C438 HydrophobicContact CG-CB 3.76Å; F432-M441 HydrophobicContact CE1-CB 3.72Å; F432-M441 HydrophobicContact CE1-CG 3.81Å; F432-M441 HydrophobicContact CZ-CB 3.98Å; F432-M441 HydrophobicContact CZ-CG 4.1Å
433	E	85.9	Confident	80.6	Confident	163 Å²	163	55.3 Å²	55.3	76%	0.762	31%	0.313	S	S	*	.	S	Bend	trans	-76.9	-24.6	-179.9	-62.3	-178.7	165.6	0	0	112.6
434	S	85.1	Confident	79.2	Confident	38 Å²	38	57.8 Å²	57.8	27%	0.266	32%	0.324	S	S	.	.	S	Bend	trans	-140.2	163.9	178.6	96.4	0	0	0	0	112.9	E436 A437 C438	S434-E436 VanDerWaalsContact C-N 3.32Å; S434-E436 WeakPolarHBondContact CB-OE2 3.45Å; S434-E436 PolarHBondContact OG-N 2.82Å; S434-E436 PolarHBondContact OG-OE2 2.9Å; S434-A437 PolarHBondContact O-N 3.16Å; S434-A437 PolarHBondContact OG-N 2.85Å; S434-A437 VanDerWaalsContact OG-N 3.14Å; S434-C438 PolarHBondContact O-N 2.8Å
435	K	83.4	Confident	77.6	Confident	63 Å²	63	60.2 Å²	60.2	27%	0.274	33%	0.334	S	S	.	.	H	α-helix	trans	-61.2	-43.5	175.6	-177.7	177.4	176.1	177.8	0	110.8	W408 C438 E439	W408-K435 HydrophobicContact CD2-CB 3.77Å; W408-K435 HydrophobicContact CD2-CG 4.45Å; W408-K435 HydrophobicContact CE3-CB 3.82Å; W408-K435 HydrophobicContact CE3-CG 3.98Å; W408-K435 HydrophobicContact CG-CB 4.43Å; W408-K435 HydrophobicContact CH2-CB 4.04Å; W408-K435 HydrophobicContact CH2-CD 3.93Å; W408-K435 HydrophobicContact CH2-CG 4.17Å; W408-K435 HydrophobicContact CZ2-CB 3.97Å; W408-K435 HydrophobicContact CZ3-CB 3.95Å; W408-K435 HydrophobicContact CZ3-CD 3.94Å; W408-K435 HydrophobicContact CZ3-CG 3.83Å; K435-C438 WeakPolarHBondContact O-CB 3.44Å; K435-C438 PolarHBondContact O-N 3.02Å; K435-E439 WeakPolarHBondContact CE-OE1 3.22Å; K435-E439 HydrophobicContact CG-CG 4.37Å; K435-E439 WeakPolarHBondContact CG-OE1 3.44Å; K435-E439 WeakPolarHBondContact O-CG 3.4Å; K435-E439 PolarHBondContact O-N 2.78Å
436	E	77.9	Confident	75.8	Confident	118 Å²	118	62.7 Å²	62.7	55%	0.551	34%	0.34	S	S	*	.	H	α-helix	trans	-65.2	-42.4	-179.2	-52.4	70.1	-152	0	0	111	S434 C438 E439 E440	S434-E436 VanDerWaalsContact C-N 3.32Å; S434-E436 WeakPolarHBondContact CB-OE2 3.45Å; S434-E436 PolarHBondContact OG-N 2.82Å; S434-E436 PolarHBondContact OG-OE2 2.9Å; E436-C438 VanDerWaalsContact C-N 3.25Å; E436-C438 PolarHBondContact O-N 3.4Å; E436-E439 PolarHBondContact O-N 2.83Å; E436-E440 WeakPolarHBondContact O-CB 3.4Å; E436-E440 WeakPolarHBondContact O-CG 3.25Å; E436-E440 PolarHBondContact O-N 2.9Å
437	A	79.3	Confident	74.2	Confident	43 Å²	43	66.7 Å²	66.7	36%	0.355	35%	0.35	S	S	.	.	H	α-helix	trans	-60.6	-36.6	175.3	0	0	0	0	0	112.1	F432 S434 M441	F432-A437 HydrophobicContact CB-CB 4.32Å; S434-A437 PolarHBondContact O-N 3.16Å; S434-A437 PolarHBondContact OG-N 2.85Å; S434-A437 VanDerWaalsContact OG-N 3.14Å; A437-M441 VanDerWaalsContact O-CB 3.31Å; A437-M441 WeakPolarHBondContact O-CB 3.27Å; A437-M441 PolarHBondContact O-N 3.3Å
438	C	82.1	Confident	72.8	Confident	0 Å²	0	72.9 Å²	72.9	0%	0	37%	0.37	C	S	.	.	H	α-helix	trans	-70.3	-44.8	173.1	178.2	0	0	0	0	112.5	W408 A409 Y410 C417 F432 S434 K435 E436 E440 M441 C442	W408-C438 HydrophobicContact CB-CB 4.25Å; A409-C438 VanDerWaalsContact C-SG 3.53Å; Y410-C438 PolarHBondContact N-SG 2.84Å; Y410-C438 VanDerWaalsContact N-SG 3.38Å; C417-C438 HydrophobicContact CB-CB 3.75Å; C417-C438 WeakPolarHBondContact CB-SG 3.39Å; C417-C438 WeakPolarHBondContact SG-CB 3.36Å; C417-C438 CovalentContact SG-SG 2.03Å; C417-C438 PolarHBondContact SG-SG 3.31Å; F432-C438 HydrophobicContact CB-CB 3.96Å; F432-C438 HydrophobicContact CD2-CB 3.44Å; F432-C438 VanDerWaalsContact CD2-CB 3.44Å; F432-C438 HydrophobicContact CE2-CB 4.08Å; F432-C438 HydrophobicContact CG-CB 3.76Å; S434-C438 PolarHBondContact O-N 2.8Å; K435-C438 WeakPolarHBondContact O-CB 3.44Å; K435-C438 PolarHBondContact O-N 3.02Å; E436-C438 VanDerWaalsContact C-N 3.25Å; E436-C438 PolarHBondContact O-N 3.4Å; C438-E440 VanDerWaalsContact C-N 3.32Å; C438-E440 PolarHBondContact O-N 2.58Å; C438-M441 PolarHBondContact O-N 3.44Å; C438-C442 VanDerWaalsContact O-CB 3.3Å; C438-C442 WeakPolarHBondContact O-CB 3.5Å; C438-C442 PolarHBondContact O-N 3.22Å
439	E	80.4	Confident	71.5	Confident	34 Å²	34	78.1 Å²	78.1	16%	0.159	40%	0.399	C	S	.	.	H	α-helix	trans	-75	-17.4	-178	-68.5	179.4	177.4	0	0	113.7	C417 K435 E436 F444	C417-E439 HydrophobicContact CB-CG 3.83Å; C417-E439 VanDerWaalsContact SG-CG 3.58Å; C417-E439 PolarHBondContact SG-N 3.29Å; K435-E439 WeakPolarHBondContact CE-OE1 3.22Å; K435-E439 HydrophobicContact CG-CG 4.37Å; K435-E439 WeakPolarHBondContact CG-OE1 3.44Å; K435-E439 WeakPolarHBondContact O-CG 3.4Å; K435-E439 PolarHBondContact O-N 2.78Å; E436-E439 PolarHBondContact O-N 2.83Å; E439-F444 HydrophobicContact CB-CB 4.13Å; E439-F444 HydrophobicContact CB-CD1 4.08Å; E439-F444 HydrophobicContact CB-CG 4.03Å; E439-F444 HydrophobicContact CG-CB 4.2Å; E439-F444 HydrophobicContact CG-CD1 4.02Å; E439-F444 HydrophobicContact CG-CD2 3.8Å; E439-F444 HydrophobicContact CG-CE1 4.3Å; E439-F444 HydrophobicContact CG-CE2 4.09Å; E439-F444 HydrophobicContact CG-CG 3.75Å; E439-F444 HydrophobicContact CG-CZ 4.33Å; E439-F444 WeakPolarHBondContact OE1-CE2 3.47Å; E439-F444 WeakPolarHBondContact OE1-CZ 3.32Å
440	E	69	Low	70.6	Confident	137 Å²	137	75.4 Å²	75.4	64%	0.64	39%	0.392	S	S	*	.	H	α-helix	trans	-83.3	-38.2	167.6	-73.2	-62.3	147.9	0	0	112.8	E436 C438 K446	E436-E440 WeakPolarHBondContact O-CB 3.4Å; E436-E440 WeakPolarHBondContact O-CG 3.25Å; E436-E440 PolarHBondContact O-N 2.9Å; C438-E440 VanDerWaalsContact C-N 3.32Å; C438-E440 PolarHBondContact O-N 2.58Å; E440-K446 IonicContact OE1-NZ 2.84Å; E440-K446 PolarHBondContact OE1-NZ 3.14Å; E440-K446 IonicContact OE2-NZ 3.45Å; E440-K446 PolarHBondContact OE2-NZ 2.9Å
441	M	68.1	Low	69.7	Low	119 Å²	119	84.4 Å²	84.4	59%	0.586	43%	0.431	S	S	*	.	H	α-helix	trans	-82.1	-28	-176.5	-160.2	72.8	68.5	0	0	113.5	F432 A437 C438	F432-M441 HydrophobicContact CE1-CB 3.72Å; F432-M441 HydrophobicContact CE1-CG 3.81Å; F432-M441 HydrophobicContact CZ-CB 3.98Å; F432-M441 HydrophobicContact CZ-CG 4.1Å; A437-M441 VanDerWaalsContact O-CB 3.31Å; A437-M441 WeakPolarHBondContact O-CB 3.27Å; A437-M441 PolarHBondContact O-N 3.3Å; C438-M441 PolarHBondContact O-N 3.44Å
442	C	73.3	Confident	68.9	Low	8 Å²	8	89.2 Å²	89.2	5%	0.054	46%	0.462	C	S	.	.	S	Bend	trans	-114.5	159.9	-172.6	-63.9	0	0	0	0	112.8	C392 Y410 C438 F444	C392-C442 HydrophobicContact CB-CB 3.74Å; C392-C442 WeakPolarHBondContact CB-SG 3.48Å; C392-C442 WeakPolarHBondContact SG-CA 3.37Å; C392-C442 WeakPolarHBondContact SG-CB 2.96Å; C392-C442 CovalentContact SG-SG 2.03Å; C392-C442 PolarHBondContact SG-SG 2.76Å; Y410-C442 WeakPolarHBondContact CB-SG 3.36Å; Y410-C442 HydrophobicContact CD1-CB 4.07Å; Y410-C442 HydrophobicContact CD2-CB 3.46Å; Y410-C442 VanDerWaalsContact CD2-CB 3.46Å; Y410-C442 HydrophobicContact CE2-CB 4.11Å; Y410-C442 HydrophobicContact CG-CB 3.43Å; Y410-C442 VanDerWaalsContact CG-CB 3.43Å; C438-C442 VanDerWaalsContact O-CB 3.3Å; C438-C442 WeakPolarHBondContact O-CB 3.5Å; C438-C442 PolarHBondContact O-N 3.22Å; C442-F444 PolarHBondContact O-N 2.91Å
443	P	61.9	Low	68.1	Low	71 Å²	71	90.1 Å²	90.1	46%	0.461	47%	0.47	S	S	.	.			trans	-75.9	63	-170.7	29.8	-35.1	0	0	0	113.8	L388 Y410	L388-P443 HydrophobicContact CD2-CG 3.96Å; Y410-P443 HydrophobicContact CE1-CG 4.17Å; Y410-P443 PolarHBondContact OH-O 3.24Å
444	F	57.6	Low	67.7	Low	52 Å²	52	91 Å²	91	23%	0.228	47%	0.472	C	S	.	.			trans	-77.6	136.2	174.3	-174.4	-101.5	0	0	0	111.3	K416 E439 C442 K446	K416-F444 HydrophobicContact CB-CE2 4.35Å; K416-F444 HydrophobicContact CG-CE2 4.05Å; E439-F444 HydrophobicContact CB-CB 4.13Å; E439-F444 HydrophobicContact CB-CD1 4.08Å; E439-F444 HydrophobicContact CB-CG 4.03Å; E439-F444 HydrophobicContact CG-CB 4.2Å; E439-F444 HydrophobicContact CG-CD1 4.02Å; E439-F444 HydrophobicContact CG-CD2 3.8Å; E439-F444 HydrophobicContact CG-CE1 4.3Å; E439-F444 HydrophobicContact CG-CE2 4.09Å; E439-F444 HydrophobicContact CG-CG 3.75Å; E439-F444 HydrophobicContact CG-CZ 4.33Å; E439-F444 WeakPolarHBondContact OE1-CE2 3.47Å; E439-F444 WeakPolarHBondContact OE1-CZ 3.32Å; C442-F444 PolarHBondContact O-N 2.91Å; F444-K446 HydrophobicContact CD1-CG 4.4Å; F444-K446 PolarHBondContact O-N 3.3Å
445	P	51.8	Low	67.3	Low	84 Å²	84	91.5 Å²	91.5	55%	0.545	47%	0.474	S	S	.	.			trans	-74.1	88.8	179	30.4	-34.7	0	0	0	111.3	N447	P445-N447 VanDerWaalsContact C-N 3.25Å; P445-N447 PolarHBondContact O-N 2.87Å
446	K	48.1	Very low	66.4	Low	94 Å²	94	95.2 Å²	95.2	41%	0.409	49%	0.486	S	S	.	.			trans	-65.4	78.2	175.8	-62.7	-166.5	-171.2	-176.1	0	112.3	E440 F444 H448	E440-K446 IonicContact OE1-NZ 2.84Å; E440-K446 PolarHBondContact OE1-NZ 3.14Å; E440-K446 IonicContact OE2-NZ 3.45Å; E440-K446 PolarHBondContact OE2-NZ 2.9Å; F444-K446 HydrophobicContact CD1-CG 4.4Å; F444-K446 PolarHBondContact O-N 3.3Å; K446-H448 PolarHBondContact O-N 2.91Å
447	N	46.8	Very low	66.2	Low	130 Å²	130	90.9 Å²	90.9	70%	0.695	47%	0.473	S	S	*	.			trans	-81.2	56.4	-171.3	-143.1	10.7	0	0	0	112	P445 N449	P445-N447 VanDerWaalsContact C-N 3.25Å; P445-N447 PolarHBondContact O-N 2.87Å; N447-N449 PolarHBondContact O-N 3.32Å
448	H	51.9	Low	66.3	Low	159 Å²	159	97.5 Å²	97.5	74%	0.736	49%	0.493	S	S	*	.			trans	-73.3	67.9	-175.6	-65.8	-47	0	0	0	113.1	K446	K446-H448 PolarHBondContact O-N 2.91Å
449	N	54.1	Low	66.5	Low	153 Å²	153	99 Å²	99	82%	0.818	50%	0.501	S	S	*	.			trans	-143.4	25.6	166.1	-109.7	-33.2	0	0	0	112.5	N447 K451	N447-N449 PolarHBondContact O-N 3.32Å; N449-K451 PolarHBondContact O-N 3.3Å
450	C	62.9	Low	66.8	Low	66 Å²	66	98.6 Å²	98.6	45%	0.446	50%	0.501	S	S	.	.	P	Polyproline II helix	trans	-56.8	128.3	171.4	-64	0	0	0	0	110.9	C520	C450-C520 WeakPolarHBondContact CA-SG 3.39Å; C450-C520 HydrophobicContact CB-CB 3.75Å; C450-C520 WeakPolarHBondContact CB-SG 3.49Å; C450-C520 VanDerWaalsContact SG-CA 3.54Å; C450-C520 WeakPolarHBondContact SG-CB 3.47Å; C450-C520 CovalentContact SG-SG 2.04Å; C450-C520 PolarHBondContact SG-SG 2.98Å
451	K	67.8	Low	67.6	Low	190 Å²	190	94.2 Å²	94.2	83%	0.826	49%	0.485	S	S	*	.	P	Polyproline II helix	trans	-71.6	131.3	176.3	-65.5	169	-174.6	164.9	0	108.7	N449 C453	N449-K451 PolarHBondContact O-N 3.3Å; K451-C453 PolarHBondContact O-N 2.8Å; K451-C453 VanDerWaalsContact O-N 3.13Å
452	V	70.2	Confident	68.6	Low	130 Å²	130	88.8 Å²	88.8	79%	0.788	46%	0.459	S	S	*	.	P	Polyproline II helix	trans	-52.2	120.4	176.3	-179.6	0	0	0	0	110.1	K454	V452-K454 PolarHBondContact O-N 2.85Å
453	C	73.8	Confident	69.5	Low	40 Å²	40	88.8 Å²	88.8	27%	0.27	46%	0.458	S	S	.	.	P	Polyproline II helix	trans	-55.4	130.2	-177.9	-55.5	0	0	0	0	111.6	K451 C522	K451-C453 PolarHBondContact O-N 2.8Å; K451-C453 VanDerWaalsContact O-N 3.13Å; C453-C522 VanDerWaalsContact CA-SG 3.52Å; C453-C522 HydrophobicContact CB-CB 3.83Å; C453-C522 WeakPolarHBondContact CB-SG 3.5Å; C453-C522 WeakPolarHBondContact SG-CA 3.48Å; C453-C522 WeakPolarHBondContact SG-CB 3.5Å; C453-C522 CovalentContact SG-SG 2.05Å; C453-C522 PolarHBondContact SG-SG 2.94Å
454	K	75.6	Confident	70.8	Confident	183 Å²	183	86.4 Å²	86.4	80%	0.796	44%	0.443	S	S	*	.			trans	-115	101.6	-179.9	-69.9	-179.8	-176.2	176.3	0	109.4	V452	V452-K454 PolarHBondContact O-N 2.85Å
455	P	76.9	Confident	72.2	Confident	48 Å²	48	90.1 Å²	90.1	31%	0.312	46%	0.459	S	S	.	.			trans	-64.9	161.7	175.9	27.3	-34.4	0	0	0	111.5	G457 D548 F550	P455-G457 PolarHBondContact O-N 2.88Å; P455-D548 CarbonylContact C-O 3.57Å; P455-D548 VanDerWaalsContact CA-O 3.22Å; P455-D548 WeakPolarHBondContact CA-O 3.01Å; P455-F550 HydrophobicContact CB-CB 4.45Å; P455-F550 HydrophobicContact CB-CD2 4.13Å; P455-F550 HydrophobicContact CG-CD2 3.93Å; P455-F550 HydrophobicContact CG-CE2 4.46Å
456	R	65.4	Low	74.1	Confident	141 Å²	141	86.5 Å²	86.5	53%	0.532	44%	0.436	S	S	.	.	S	Bend	trans	-60.5	8.1	-175.2	-149.2	-175.7	-161.2	127.7	-16.9	116.1	D548	R456-D548 HydrophobicContact CB-CB 4.08Å; R456-D548 VanDerWaalsContact CB-OD2 3.3Å; R456-D548 WeakPolarHBondContact CB-OD2 3.44Å; R456-D548 WeakPolarHBondContact CD-OD2 3.45Å; R456-D548 WeakPolarHBondContact CG-OD2 3.45Å; R456-D548 IonicContact CZ-OD2 2.91Å; R456-D548 VanDerWaalsContact CZ-OD2 3.26Å; R456-D548 PolarHBondContact N-O 3.39Å; R456-D548 IonicContact NE-OD2 3.53Å; R456-D548 PolarHBondContact NE-OD2 3.2Å; R456-D548 IonicContact NH1-OD1 3.31Å; R456-D548 PolarHBondContact NH1-OD1 3.21Å; R456-D548 IonicContact NH1-OD2 2.65Å; R456-D548 PolarHBondContact NH1-OD2 2.81Å
457	G	73.2	Confident	76.1	Confident	26 Å²	26	82.9 Å²	82.9	27%	0.268	42%	0.421	S	S	.	.	S	Bend	trans	177.5	-177.8	-177.1	0	0	0	0	0	113.4	P455 S461	P455-G457 PolarHBondContact O-N 2.88Å; G457-S461 WeakPolarHBondContact CA-OG 3.32Å
458	K	82.7	Confident	78.3	Confident	182 Å²	182	76.7 Å²	76.7	79%	0.791	39%	0.388	S	S	*	.	S	Bend	trans	-79.8	150.2	161.6	-67.3	174.5	-178.7	171.6	0	107	V460 S461 S462	K458-V460 CarbonylContact O-C 3.44Å; K458-V460 PolarHBondContact O-N 3.28Å; K458-S461 PolarHBondContact N-OG 2.96Å; K458-S461 VanDerWaalsContact N-OG 3.16Å; K458-S461 WeakPolarHBondContact O-CA 3.44Å; K458-S461 PolarHBondContact O-N 2.88Å; K458-S461 PolarHBondContact O-OG 2.87Å; K458-S461 VanDerWaalsContact O-OG 3.08Å; K458-S462 PolarHBondContact O-N 3.34Å
459	M	85.6	Confident	80.3	Confident	32 Å²	32	69.1 Å²	69.1	16%	0.158	35%	0.353	C	S	.	.	H	α-helix	trans	-30	-43.9	-180	178.5	176.4	-76	0	0	117.3	F463 I533 M535 F550 R558 L562	M459-F463 WeakPolarHBondContact O-CB 3.47Å; M459-F463 PolarHBondContact O-N 2.83Å; M459-I533 HydrophobicContact CE-CD1 4.29Å; M459-M535 HydrophobicContact CG-CE 4.08Å; M459-F550 HydrophobicContact CB-CE2 4.32Å; M459-F550 HydrophobicContact CB-CZ 4.45Å; M459-F550 HydrophobicContact CE-CE1 4.05Å; M459-F550 HydrophobicContact CE-CE2 4.41Å; M459-F550 HydrophobicContact CE-CZ 3.54Å; M459-R558 HydrophobicContact CE-CB 4.12Å; M459-R558 HydrophobicContact CE-CG 3.79Å; M459-R558 HydrophobicContact SD-CB 4.27Å; M459-R558 HydrophobicContact SD-CG 4.29Å; M459-L562 HydrophobicContact CG-CD2 3.8Å; M459-L562 HydrophobicContact SD-CD2 4.27Å
460	V	87.5	Confident	82.1	Confident	26 Å²	26	61.8 Å²	61.8	16%	0.158	31%	0.314	C	S	.	.	H	α-helix	trans	-72.6	-42.1	178	-178.3	0	0	0	0	112.6	K458 S462 F463 C464 V565 L574	K458-V460 CarbonylContact O-C 3.44Å; K458-V460 PolarHBondContact O-N 3.28Å; V460-S462 VanDerWaalsContact C-N 3.34Å; V460-F463 PolarHBondContact O-N 3.03Å; V460-C464 PolarHBondContact O-N 2.7Å; V460-C464 VanDerWaalsContact O-N 3.07Å; V460-C464 PolarHBondContact O-SG 2.79Å; V460-V565 HydrophobicContact CB-CG2 4.49Å; V460-V565 HydrophobicContact CG1-CG1 4.36Å; V460-V565 HydrophobicContact CG1-CG2 3.76Å; V460-V565 HydrophobicContact CG2-CG2 4.01Å; V460-L574 HydrophobicContact CG1-CD1 4.36Å
461	S	85.8	Confident	83.5	Confident	45 Å²	45	58.7 Å²	58.7	32%	0.315	29%	0.292	S	S	.	.	H	α-helix	trans	-76.7	-20.3	176.2	59.1	0	0	0	0	113.3	G457 K458 K465	G457-S461 WeakPolarHBondContact CA-OG 3.32Å; K458-S461 PolarHBondContact N-OG 2.96Å; K458-S461 VanDerWaalsContact N-OG 3.16Å; K458-S461 WeakPolarHBondContact O-CA 3.44Å; K458-S461 PolarHBondContact O-N 2.88Å; K458-S461 PolarHBondContact O-OG 2.87Å; K458-S461 VanDerWaalsContact O-OG 3.08Å; S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 VanDerWaalsContact O-CG 3.26Å; S461-K465 WeakPolarHBondContact O-CG 3.47Å
462	S	88.8	Confident	84.6	Confident	5 Å²	5	49.6 Å²	49.6	4%	0.035	25%	0.253	C	S	.	.	H	α-helix	trans	-67.1	-53.8	162.8	-57.3	0	0	0	0	110.5	K458 V460 C464 K465 S466	K458-S462 PolarHBondContact O-N 3.34Å; V460-S462 VanDerWaalsContact C-N 3.34Å; S462-C464 VanDerWaalsContact C-N 3.25Å; S462-C464 PolarHBondContact O-N 2.82Å; S462-C464 VanDerWaalsContact O-N 3.17Å; S462-K465 PolarHBondContact O-N 2.88Å; S462-S466 PolarHBondContact O-N 2.97Å; S462-S466 PolarHBondContact O-OG 2.93Å
463	F	91.5	Very high	85.5	Confident	7 Å²	7	48.5 Å²	48.5	3%	0.031	24%	0.235	C	C	.	.	H	α-helix	trans	-53	-40.2	179.7	-175.8	-82	0	0	0	113.4	M459 V460 K465 V469 L494 K495 M535 L562 V565 V566	M459-F463 WeakPolarHBondContact O-CB 3.47Å; M459-F463 PolarHBondContact O-N 2.83Å; V460-F463 PolarHBondContact O-N 3.03Å; F463-K465 VanDerWaalsContact C-N 3.35Å; F463-V469 HydrophobicContact CD2-CB 3.99Å; F463-V469 HydrophobicContact CD2-CG1 3.81Å; F463-V469 HydrophobicContact CD2-CG2 3.63Å; F463-V469 HydrophobicContact CE2-CB 3.79Å; F463-V469 HydrophobicContact CE2-CG1 3.78Å; F463-V469 HydrophobicContact CE2-CG2 3.84Å; F463-V469 HydrophobicContact CG-CG2 4.25Å; F463-L494 HydrophobicContact CE2-CB 4.03Å; F463-K495 HydrophobicContact CE1-CD 4.48Å; F463-K495 HydrophobicContact CE2-CB 4.28Å; F463-K495 HydrophobicContact CZ-CB 3.9Å; F463-M535 HydrophobicContact CB-CE 4.24Å; F463-M535 HydrophobicContact CB-SD 4.02Å; F463-M535 HydrophobicContact CD2-CE 4.34Å; F463-M535 PolarHBondContact N-SD 3.46Å; F463-M535 VanDerWaalsContact N-SD 3.41Å; F463-L562 HydrophobicContact CB-CD2 4.18Å; F463-L562 HydrophobicContact CD2-CB 4.46Å; F463-L562 HydrophobicContact CD2-CD1 4.32Å; F463-L562 HydrophobicContact CD2-CD2 3.72Å; F463-L562 HydrophobicContact CD2-CG 4.38Å; F463-L562 HydrophobicContact CE2-CB 4.42Å; F463-L562 HydrophobicContact CE2-CD2 4.48Å; F463-L562 HydrophobicContact CG-CD2 4.12Å; F463-V565 HydrophobicContact CD1-CG1 3.71Å; F463-V565 HydrophobicContact CE1-CG1 3.98Å; F463-V565 HydrophobicContact CG-CG1 4.47Å; F463-V566 HydrophobicContact CE1-CG2 3.84Å; F463-V566 HydrophobicContact CE2-CG2 4.36Å; F463-V566 HydrophobicContact CZ-CG2 3.38Å
464	C	88.6	Confident	86.1	Confident	22 Å²	22	47 Å²	47	15%	0.149	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-77.5	-15.7	179.5	-60.5	0	0	0	0	114.6	V460 S462 C571	V460-C464 PolarHBondContact O-N 2.7Å; V460-C464 VanDerWaalsContact O-N 3.07Å; V460-C464 PolarHBondContact O-SG 2.79Å; S462-C464 VanDerWaalsContact C-N 3.25Å; S462-C464 PolarHBondContact O-N 2.82Å; S462-C464 VanDerWaalsContact O-N 3.17Å; C464-C571 WeakPolarHBondContact CA-SG 3.33Å; C464-C571 HydrophobicContact CB-CB 3.57Å; C464-C571 WeakPolarHBondContact CB-SG 3.45Å; C464-C571 WeakPolarHBondContact SG-CA 3.08Å; C464-C571 WeakPolarHBondContact SG-CB 3.32Å; C464-C571 CovalentContact SG-SG 2.04Å; C464-C571 PolarHBondContact SG-SG 2.82Å
465	K	88.1	Confident	86.5	Confident	129 Å²	129	42 Å²	42	56%	0.561	21%	0.209	S	C	*	.	T	Hydrogen-bonded Turn	trans	-97.8	-38.4	179.8	-76.1	-179.1	178.7	-173.7	0	113.4	S461 S462 F463	S461-K465 WeakPolarHBondContact O-CB 3.4Å; S461-K465 VanDerWaalsContact O-CG 3.26Å; S461-K465 WeakPolarHBondContact O-CG 3.47Å; S462-K465 PolarHBondContact O-N 2.88Å; F463-K465 VanDerWaalsContact C-N 3.35Å
466	S	91.1	Very high	86.9	Confident	9 Å²	9	44.5 Å²	44.5	6%	0.063	22%	0.216	C	C	.	.	S	Bend	trans	-67	139.9	179.7	-65.4	0	0	0	0	112.1	S462 K495 M535 G536	S462-S466 PolarHBondContact O-N 2.97Å; S462-S466 PolarHBondContact O-OG 2.93Å; S466-K495 WeakPolarHBondContact O-CD 2.99Å; S466-K495 WeakPolarHBondContact O-CE 3.37Å; S466-K495 PolarHBondContact O-NZ 2.76Å; S466-M535 WeakPolarHBondContact OG-CB 3.01Å; S466-G536 CarbonylContact C-O 3.01Å; S466-G536 WeakPolarHBondContact CB-O 3.21Å
467	D	90.8	Very high	87.7	Confident	17 Å²	17	39.5 Å²	39.5	9%	0.091	20%	0.2	C	C	.	.	S	Bend	trans	-69.6	-34.9	179.4	-70.7	-39.5	0	0	0	113.2	E497 K498 G536 V538	D467-E497 PolarHBondContact O-N 3.35Å; D467-E497 VanDerWaalsContact O-N 3.14Å; D467-K498 HydrophobicContact CB-CD 4.14Å; D467-K498 WeakPolarHBondContact OD1-CE 3.02Å; D467-K498 IonicContact OD1-NZ 3.83Å; D467-K498 PolarHBondContact OD1-NZ 3.2Å; D467-K498 WeakPolarHBondContact OD2-CD 3.3Å; D467-K498 IonicContact OD2-NZ 2.77Å; D467-K498 PolarHBondContact OD2-NZ 2.88Å; D467-G536 PolarHBondContact N-O 3.33Å; D467-V538 HydrophobicContact CB-CB 4.2Å; D467-V538 HydrophobicContact CB-CG2 3.74Å; D467-V538 PolarHBondContact OD2-N 2.81Å
468	F	92.3	Very high	88.1	Confident	0 Å²	0	40.3 Å²	40.3	0%	0	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.3	149.4	176.2	75.9	-87.3	0	0	0	111.7	I470 K495 M499 L501 L509 I534 M535 G536 V538 A543	F468-I470 HydrophobicContact CD2-CG1 4.35Å; F468-I470 HydrophobicContact CD2-CG2 4.36Å; F468-I470 HydrophobicContact CE2-CD1 4.24Å; F468-I470 HydrophobicContact CE2-CG1 4.27Å; F468-K495 WeakPolarHBondContact CA-O 3.3Å; F468-M499 HydrophobicContact CB-CE 4.14Å; F468-M499 HydrophobicContact CD1-CE 3.5Å; F468-M499 VanDerWaalsContact CD1-CE 3.5Å; F468-M499 HydrophobicContact CD2-CE 4.32Å; F468-M499 HydrophobicContact CE1-CE 3.89Å; F468-M499 HydrophobicContact CG-CE 3.74Å; F468-M499 HydrophobicContact CZ-CE 4.46Å; F468-L501 HydrophobicContact CB-CD1 4.16Å; F468-L509 HydrophobicContact CE2-CD2 4.48Å; F468-I534 HydrophobicContact CE2-CG2 4.15Å; F468-M535 WeakPolarHBondContact O-CA 3.38Å; F468-G536 VanDerWaalsContact CD1-C 3.44Å; F468-G536 VanDerWaalsContact CD1-O 3.26Å; F468-G536 WeakPolarHBondContact CD1-O 3.34Å; F468-G536 PolarHBondContact N-O 3.43Å; F468-G536 VanDerWaalsContact N-O 3.14Å; F468-G536 PolarHBondContact O-N 3.23Å; F468-V538 HydrophobicContact CD1-CG2 3.98Å; F468-A543 HydrophobicContact CE1-CB 3.96Å; F468-A543 HydrophobicContact CZ-CB 3.89Å
469	V	92.9	Very high	88	Confident	0 Å²	0	36.8 Å²	36.8	0%	0	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	122.1	171	-178.7	0	0	0	0	109.7	F463 L494 K495 I533 I534 M535	F463-V469 HydrophobicContact CD2-CB 3.99Å; F463-V469 HydrophobicContact CD2-CG1 3.81Å; F463-V469 HydrophobicContact CD2-CG2 3.63Å; F463-V469 HydrophobicContact CE2-CB 3.79Å; F463-V469 HydrophobicContact CE2-CG1 3.78Å; F463-V469 HydrophobicContact CE2-CG2 3.84Å; F463-V469 HydrophobicContact CG-CG2 4.25Å; V469-L494 HydrophobicContact CB-CB 4.35Å; V469-L494 HydrophobicContact CG1-CB 4.12Å; V469-L494 HydrophobicContact CG1-CD1 4.24Å; V469-L494 PolarHBondContact O-N 2.03Å; V469-K495 HydrophobicContact CB-CB 3.8Å; V469-K495 HydrophobicContact CG2-CB 3.96Å; V469-K495 HydrophobicContact CG2-CD 4.44Å; V469-K495 PolarHBondContact N-O 3.35Å; V469-K495 PolarHBondContact O-N 3.48Å; V469-I533 HydrophobicContact CG1-CG2 4.43Å; V469-I534 WeakPolarHBondContact CA-O 3.37Å; V469-M535 HydrophobicContact CB-CG 4.41Å; V469-M535 HydrophobicContact CG1-CE 4.35Å; V469-M535 HydrophobicContact CG1-CG 3.9Å; V469-M535 HydrophobicContact CG2-CB 3.91Å; V469-M535 HydrophobicContact CG2-CG 3.81Å; V469-M535 HydrophobicContact CG2-SD 4.34Å
470	I	93.1	Very high	87.4	Confident	0 Å²	0	38.8 Å²	38.8	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	155.2	-179.5	57.6	174.2	0	0	0	111.6	F468 V488 V490 E492 I493 L501 L509 I534	F468-I470 HydrophobicContact CD2-CG1 4.35Å; F468-I470 HydrophobicContact CD2-CG2 4.36Å; F468-I470 HydrophobicContact CE2-CD1 4.24Å; F468-I470 HydrophobicContact CE2-CG1 4.27Å; I470-V488 HydrophobicContact CD1-CG1 3.89Å; I470-V490 HydrophobicContact CB-CG1 4.23Å; I470-V490 HydrophobicContact CD1-CG2 4.1Å; I470-V490 HydrophobicContact CG2-CG1 4.01Å; I470-E492 CarbonylContact C-O 3.54Å; I470-E492 WeakPolarHBondContact CA-O 3.35Å; I470-I493 HydrophobicContact CG2-CG1 4.37Å; I470-L501 HydrophobicContact CG2-CD1 3.79Å; I470-L509 HydrophobicContact CD1-CD2 3.85Å; I470-I534 HydrophobicContact CD1-CB 4.41Å; I470-I534 HydrophobicContact CG1-CB 3.91Å; I470-I534 HydrophobicContact CG1-CG2 4.44Å; I470-I534 PolarHBondContact N-O 2.8Å; I470-I534 PolarHBondContact O-N 3.45Å
471	L	92.4	Very high	85.9	Confident	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	138.5	155.3	-50.6	-175.7	0	0	0	108.1	E491 E492 L494 Q531 L532 I533 I559	L471-E491 PolarHBondContact O-N 3.34Å; L471-E492 HydrophobicContact CB-CB 4.07Å; L471-E492 HydrophobicContact CD1-CB 4.06Å; L471-E492 WeakPolarHBondContact CD1-OE2 3.43Å; L471-E492 HydrophobicContact CG-CB 4.16Å; L471-E492 PolarHBondContact N-O 2.68Å; L471-E492 PolarHBondContact O-N 2.91Å; L471-E492 VanDerWaalsContact O-N 3.12Å; L471-L494 HydrophobicContact CD1-CD1 4.45Å; L471-L494 HydrophobicContact CD2-CD1 3.85Å; L471-L494 HydrophobicContact CG-CD1 3.98Å; L471-L494 HydrophobicContact CG-CG 4.36Å; L471-Q531 HydrophobicContact CB-CG 4.08Å; L471-L532 WeakPolarHBondContact CA-O 3.19Å; L471-I533 HydrophobicContact CD2-CB 4.24Å; L471-I533 HydrophobicContact CD2-CG1 3.61Å; L471-I533 HydrophobicContact CD2-CG2 4.42Å; L471-I559 HydrophobicContact CD1-CD1 3.9Å; L471-I559 HydrophobicContact CD1-CG1 3.86Å; L471-I559 HydrophobicContact CD1-CG2 4.05Å; L471-I559 HydrophobicContact CD2-CG1 4.32Å
472	G	90.8	Very high	84.4	Confident	0 Å²	0	53.1 Å²	53.1	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-175.6	-174.7	-179.8	0	0	0	0	0	112.9	T489 L532	G472-T489 CarbonylContact C-O 3.56Å; G472-T489 WeakPolarHBondContact CA-O 3.4Å; G472-L532 PolarHBondContact N-O 2.76Å; G472-L532 PolarHBondContact O-N 2.79Å
473	R	89.6	Confident	83.6	Confident	107 Å²	107	54.5 Å²	54.5	40%	0.404	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	139.7	174.4	-55.5	-176.2	-151.3	-152.7	11.6	110.6	T475 V488 T489 E491 D529	R473-T475 PolarHBondContact O-N 2.83Å; R473-V488 CarbonylContact O-C 3.51Å; R473-V488 WeakPolarHBondContact O-CA 3.29Å; R473-T489 PolarHBondContact N-O 2.86Å; R473-T489 PolarHBondContact O-N 2.86Å; R473-T489 PolarHBondContact O-OG1 3.22Å; R473-E491 IonicContact CZ-OE1 2.7Å; R473-E491 VanDerWaalsContact CZ-OE1 3.27Å; R473-E491 IonicContact NE-OE1 2.64Å; R473-E491 PolarHBondContact NE-OE1 2.96Å; R473-E491 IonicContact NH2-OE1 3.03Å; R473-E491 PolarHBondContact NH2-OE1 3.44Å; R473-D529 PolarHBondContact NH1-O 3.32Å
474	M	85.8	Confident	83.2	Confident	8 Å²	8	54.2 Å²	54.2	4%	0.039	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.7	118.8	174.2	-165.1	157.3	-73.2	0	0	109	E476 L477 A486 L487 V488 I525	M474-E476 WeakPolarHBondContact CG-O 3.03Å; M474-L477 HydrophobicContact SD-CB 4.14Å; M474-L477 HydrophobicContact SD-CD1 4.12Å; M474-L477 HydrophobicContact SD-CD2 4.46Å; M474-L477 HydrophobicContact SD-CG 4.48Å; M474-A486 HydrophobicContact CE-CB 3.65Å; M474-A486 HydrophobicContact CG-CB 4.42Å; M474-A486 HydrophobicContact SD-CB 3.95Å; M474-L487 WeakPolarHBondContact CA-O 3.4Å; M474-V488 HydrophobicContact CE-CG2 4.06Å; M474-I525 HydrophobicContact CE-CG2 3.72Å; M474-I525 HydrophobicContact SD-CG2 3.46Å; M474-I525 WeakPolarHBondContact SD-CG2 3.43Å
475	T	84.3	Confident	83	Confident	78 Å²	78	55.9 Å²	55.9	48%	0.479	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	-30.4	178.1	47.5	0	0	0	0	112.2	R473 L487 T489	R473-T475 PolarHBondContact O-N 2.83Å; T475-L487 PolarHBondContact N-O 3.28Å; T475-L487 PolarHBondContact OG1-O 3.02Å; T475-T489 HydrophobicContact CG2-CG2 3.58Å
476	E	83.9	Confident	83	Confident	101 Å²	101	49.8 Å²	49.8	47%	0.472	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.8	148.5	-178.8	-168.6	162.1	-158.1	0	0	109.7	M474 A486 L487	M474-E476 WeakPolarHBondContact CG-O 3.03Å; E476-A486 CarbonylContact O-C 3.54Å; E476-A486 WeakPolarHBondContact O-CA 3.47Å; E476-L487 HydrophobicContact CB-CB 4.12Å; E476-L487 HydrophobicContact CB-CD1 4.26Å; E476-L487 HydrophobicContact CB-CG 4.33Å; E476-L487 PolarHBondContact O-N 2.74Å; E476-L487 WeakPolarHBondContact OE2-CD1 3.48Å
477	L	83.6	Confident	82.9	Confident	35 Å²	35	51.3 Å²	51.3	18%	0.183	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.9	121.4	-180	175.9	67.7	0	0	0	108.2	M474 A486 L513 W518 I525 I527	M474-L477 HydrophobicContact SD-CB 4.14Å; M474-L477 HydrophobicContact SD-CD1 4.12Å; M474-L477 HydrophobicContact SD-CD2 4.46Å; M474-L477 HydrophobicContact SD-CG 4.48Å; L477-A486 HydrophobicContact CD1-CB 3.86Å; L477-L513 HydrophobicContact CD1-CD1 3.56Å; L477-W518 HydrophobicContact CD1-CH2 4.19Å; L477-I525 HydrophobicContact CD1-CG2 3.71Å; L477-I525 HydrophobicContact CD2-CG2 3.89Å; L477-I525 HydrophobicContact CG-CG2 4.44Å; L477-I527 HydrophobicContact CB-CD1 4.1Å; L477-I527 HydrophobicContact CB-CG1 3.99Å
478	T	80.9	Confident	82.8	Confident	44 Å²	44	50.6 Å²	50.6	27%	0.27	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	129.8	-179.5	-52.3	0	0	0	0	110.5	G484 H485	T478-G484 VanDerWaalsContact O-CA 3.24Å; T478-G484 WeakPolarHBondContact O-CA 3.38Å; T478-H485 WeakPolarHBondContact CB-CE1 3.21Å; T478-H485 WeakPolarHBondContact CB-NE2 3.04Å; T478-H485 VanDerWaalsContact CG2-CE1 3.47Å; T478-H485 WeakPolarHBondContact CG2-CE1 3.49Å; T478-H485 PolarHBondContact N-O 3.46Å; T478-H485 PolarHBondContact O-N 3.33Å; T478-H485 PolarHBondContact OG1-CD2 3.14Å; T478-H485 PolarHBondContact OG1-NE2 3.28Å
479	E	80.3	Confident	82.7	Confident	107 Å²	107	53.1 Å²	53.1	50%	0.5	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.7	-178.4	-47.3	-173	163.3	0	0	109.8	W518	E479-W518 HydrophobicContact CB-CD2 3.81Å; E479-W518 HydrophobicContact CB-CE3 3.98Å; E479-W518 HydrophobicContact CB-CG 4.27Å; E479-W518 HydrophobicContact CB-CH2 4.35Å; E479-W518 HydrophobicContact CB-CZ2 4.22Å; E479-W518 HydrophobicContact CB-CZ3 4.25Å; E479-W518 HydrophobicContact CG-CD2 3.99Å; E479-W518 HydrophobicContact CG-CE3 3.6Å; E479-W518 HydrophobicContact CG-CH2 4.09Å; E479-W518 HydrophobicContact CG-CZ2 4.46Å; E479-W518 HydrophobicContact CG-CZ3 3.66Å
480	E	73.7	Confident	82.5	Confident	75 Å²	75	55.4 Å²	55.4	35%	0.35	28%	0.276	S	S	.	.			trans	-113.4	167.6	175.9	-59.3	163.8	-173.4	0	0	110.3	E482 S483 H485 W518	E480-E482 PolarHBondContact O-N 2.03Å; E480-S483 CarbonylContact C-O 3.23Å; E480-S483 WeakPolarHBondContact CA-O 3.34Å; E480-S483 WeakPolarHBondContact CB-O 3.43Å; E480-S483 PolarHBondContact N-O 3.45Å; E480-S483 VanDerWaalsContact N-O 3.07Å; E480-S483 WeakPolarHBondContact OE2-CB 3.47Å; E480-S483 PolarHBondContact OE2-OG 3.2Å; E480-H485 IonicContact OE1-CE1 3.26Å; E480-H485 PolarHBondContact OE1-CE1 3.46Å; E480-H485 VanDerWaalsContact OE1-CE1 3.31Å; E480-H485 IonicContact OE1-ND1 2.93Å; E480-H485 PolarHBondContact OE1-ND1 3.3Å; E480-W518 PolarHBondContact O-NE1 3.38Å
481	Q	55.1	Low	82.4	Confident	199 Å²	199	59.5 Å²	59.5	93%	0.93	30%	0.295	S	S	*	.	S	Bend	trans	-72.1	-23.4	-167.3	-74	172.3	-69.5	0	0	115.5
482	E	55.3	Low	82.2	Confident	172 Å²	172	62.1 Å²	62.1	80%	0.804	31%	0.307	S	S	*	.	S	Bend	trans	-130.2	-1.2	174.1	-60.3	-169.6	156	0	0	113.1	E480	E480-E482 PolarHBondContact O-N 2.03Å
483	S	70.8	Confident	82.2	Confident	35 Å²	35	64.1 Å²	64.1	25%	0.245	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147	-176.5	-167.9	44	0	0	0	0	110.9	E480 L513 W518	E480-S483 CarbonylContact C-O 3.23Å; E480-S483 WeakPolarHBondContact CA-O 3.34Å; E480-S483 WeakPolarHBondContact CB-O 3.43Å; E480-S483 PolarHBondContact N-O 3.45Å; E480-S483 VanDerWaalsContact N-O 3.07Å; E480-S483 WeakPolarHBondContact OE2-CB 3.47Å; E480-S483 PolarHBondContact OE2-OG 3.2Å; S483-L513 CarbonylContact C-O 3.54Å; S483-L513 VanDerWaalsContact CA-O 3.3Å; S483-L513 WeakPolarHBondContact CA-O 3.3Å; S483-W518 WeakPolarHBondContact O-CZ2 2.99Å; S483-W518 PolarHBondContact O-NE1 2.91Å
484	G	83.1	Confident	82.2	Confident	1 Å²	1	60 Å²	60	1%	0.01	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.9	172.6	158.6	0	0	0	0	0	110.4	T478 L513	T478-G484 VanDerWaalsContact O-CA 3.24Å; T478-G484 WeakPolarHBondContact O-CA 3.38Å; G484-L513 PolarHBondContact N-O 3.34Å; G484-L513 PolarHBondContact O-N 3.26Å
485	H	84.8	Confident	82.4	Confident	57 Å²	57	60.7 Å²	60.7	26%	0.264	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.8	141.7	175.6	56.3	-97	0	0	0	109.9	T478 E480	T478-H485 WeakPolarHBondContact CB-CE1 3.21Å; T478-H485 WeakPolarHBondContact CB-NE2 3.04Å; T478-H485 VanDerWaalsContact CG2-CE1 3.47Å; T478-H485 WeakPolarHBondContact CG2-CE1 3.49Å; T478-H485 PolarHBondContact N-O 3.46Å; T478-H485 PolarHBondContact O-N 3.33Å; T478-H485 PolarHBondContact OG1-CD2 3.14Å; T478-H485 PolarHBondContact OG1-NE2 3.28Å; E480-H485 IonicContact OE1-CE1 3.26Å; E480-H485 PolarHBondContact OE1-CE1 3.46Å; E480-H485 VanDerWaalsContact OE1-CE1 3.31Å; E480-H485 IonicContact OE1-ND1 2.93Å; E480-H485 PolarHBondContact OE1-ND1 3.3Å
486	A	87.7	Confident	82.6	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.5	130	177.3	0	0	0	0	0	110.7	M474 E476 L477 V511 L513	M474-A486 HydrophobicContact CE-CB 3.65Å; M474-A486 HydrophobicContact CG-CB 4.42Å; M474-A486 HydrophobicContact SD-CB 3.95Å; E476-A486 CarbonylContact O-C 3.54Å; E476-A486 WeakPolarHBondContact O-CA 3.47Å; L477-A486 HydrophobicContact CD1-CB 3.86Å; A486-V511 PolarHBondContact N-O 3.02Å; A486-V511 PolarHBondContact O-N 3.41Å; A486-L513 HydrophobicContact CB-CD1 4.39Å
487	L	89.6	Confident	82.3	Confident	42 Å²	42	59.6 Å²	59.6	22%	0.22	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	124	174.3	-66.3	-177.8	0	0	0	109.7	M474 T475 E476 P508 E510	M474-L487 WeakPolarHBondContact CA-O 3.4Å; T475-L487 PolarHBondContact N-O 3.28Å; T475-L487 PolarHBondContact OG1-O 3.02Å; E476-L487 HydrophobicContact CB-CB 4.12Å; E476-L487 HydrophobicContact CB-CD1 4.26Å; E476-L487 HydrophobicContact CB-CG 4.33Å; E476-L487 PolarHBondContact O-N 2.74Å; E476-L487 WeakPolarHBondContact OE2-CD1 3.48Å; L487-P508 HydrophobicContact CB-CB 4.3Å; L487-E510 HydrophobicContact CD2-CB 4.03Å; L487-E510 HydrophobicContact CD2-CG 4.26Å
488	V	89.4	Confident	82.1	Confident	1 Å²	1	63.9 Å²	63.9	1%	0.006	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	112.1	-177.8	-178.5	0	0	0	0	110.1	I470 R473 M474 V490 L509 V511 I534	I470-V488 HydrophobicContact CD1-CG1 3.89Å; R473-V488 CarbonylContact O-C 3.51Å; R473-V488 WeakPolarHBondContact O-CA 3.29Å; M474-V488 HydrophobicContact CE-CG2 4.06Å; V488-V490 PolarHBondContact O-N 3.45Å; V488-L509 PolarHBondContact N-O 3.04Å; V488-L509 PolarHBondContact O-N 3.01Å; V488-V511 HydrophobicContact CB-CG2 4.42Å; V488-V511 HydrophobicContact CG2-CG2 3.92Å; V488-I534 HydrophobicContact CG1-CD1 3.88Å; V488-I534 HydrophobicContact CG2-CD1 3.91Å
489	T	89.7	Confident	81.9	Confident	53 Å²	53	62.9 Å²	62.9	33%	0.325	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69	112.8	167.1	50.6	0	0	0	0	109.5	G472 R473 T475 P508	G472-T489 CarbonylContact C-O 3.56Å; G472-T489 WeakPolarHBondContact CA-O 3.4Å; R473-T489 PolarHBondContact N-O 2.86Å; R473-T489 PolarHBondContact O-N 2.86Å; R473-T489 PolarHBondContact O-OG1 3.22Å; T475-T489 HydrophobicContact CG2-CG2 3.58Å; T489-P508 HydrophobicContact CG2-CB 4.41Å
490	V	89.7	Confident	81.7	Confident	48 Å²	48	58.8 Å²	58.8	29%	0.291	29%	0.294	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82	120.8	-176.5	-175.7	0	0	0	0	110.1	I470 V488 I493 L509	I470-V490 HydrophobicContact CB-CG1 4.23Å; I470-V490 HydrophobicContact CD1-CG2 4.1Å; I470-V490 HydrophobicContact CG2-CG1 4.01Å; V488-V490 PolarHBondContact O-N 3.45Å; V490-I493 HydrophobicContact CG1-CG1 3.83Å; V490-L509 HydrophobicContact CG2-CB 3.76Å; V490-L509 HydrophobicContact CG2-CD2 4.41Å
491	E	89.3	Confident	81.8	Confident	86 Å²	86	55.7 Å²	55.7	40%	0.402	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	-35.1	178	-68.5	-177.6	151.6	0	0	112.5	L471 R473 Q531	L471-E491 PolarHBondContact O-N 3.34Å; R473-E491 IonicContact CZ-OE1 2.7Å; R473-E491 VanDerWaalsContact CZ-OE1 3.27Å; R473-E491 IonicContact NE-OE1 2.64Å; R473-E491 PolarHBondContact NE-OE1 2.96Å; R473-E491 IonicContact NH2-OE1 3.03Å; R473-E491 PolarHBondContact NH2-OE1 3.44Å; E491-Q531 VanDerWaalsContact OE2-CG 3.31Å; E491-Q531 WeakPolarHBondContact OE2-CG 3.33Å; E491-Q531 PolarHBondContact OE2-NE2 2.64Å
492	E	89.9	Confident	82.5	Confident	55 Å²	55	55.5 Å²	55.5	26%	0.257	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.2	133.4	177.4	-176.1	178.9	167.2	0	0	111.5	I470 L471 L494 R563	I470-E492 CarbonylContact C-O 3.54Å; I470-E492 WeakPolarHBondContact CA-O 3.35Å; L471-E492 HydrophobicContact CB-CB 4.07Å; L471-E492 HydrophobicContact CD1-CB 4.06Å; L471-E492 WeakPolarHBondContact CD1-OE2 3.43Å; L471-E492 HydrophobicContact CG-CB 4.16Å; L471-E492 PolarHBondContact N-O 2.68Å; L471-E492 PolarHBondContact O-N 2.91Å; L471-E492 VanDerWaalsContact O-N 3.12Å; E492-L494 HydrophobicContact CG-CD2 4.14Å; E492-L494 VanDerWaalsContact OE1-CD2 3.24Å; E492-L494 WeakPolarHBondContact OE1-CD2 3.32Å; E492-R563 IonicContact OE1-CZ 3.02Å; E492-R563 VanDerWaalsContact OE1-CZ 3.26Å; E492-R563 IonicContact OE1-NE 2.71Å; E492-R563 PolarHBondContact OE1-NE 2.73Å; E492-R563 IonicContact OE1-NH2 3.99Å; E492-R563 PolarHBondContact OE1-NH2 2.97Å; E492-R563 IonicContact OE2-CZ 2.81Å; E492-R563 IonicContact OE2-NE 2.81Å; E492-R563 IonicContact OE2-NH2 3.27Å; E492-R563 PolarHBondContact OE2-NH2 3.37Å
493	I	90.3	Very high	83	Confident	42 Å²	42	56.4 Å²	56.4	22%	0.215	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	108.2	176.5	-55.6	161.1	0	0	0	109	I470 V490 D496 L501 R502	I470-I493 HydrophobicContact CG2-CG1 4.37Å; V490-I493 HydrophobicContact CG1-CG1 3.83Å; I493-D496 HydrophobicContact CG2-CB 3.84Å; I493-L501 HydrophobicContact CD1-CB 3.59Å; I493-L501 HydrophobicContact CG1-CB 4.15Å; I493-L501 HydrophobicContact CG2-CB 4.36Å; I493-L501 HydrophobicContact CG2-CD1 4.29Å; I493-R502 HydrophobicContact CD1-CG 3.88Å
494	L	89.7	Confident	82.5	Confident	20 Å²	20	59.7 Å²	59.7	11%	0.105	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	-31.4	-179.8	-65.1	176	0	0	0	112.9	F463 V469 L471 E492 L562 R563	F463-L494 HydrophobicContact CE2-CB 4.03Å; V469-L494 HydrophobicContact CB-CB 4.35Å; V469-L494 HydrophobicContact CG1-CB 4.12Å; V469-L494 HydrophobicContact CG1-CD1 4.24Å; V469-L494 PolarHBondContact O-N 2.03Å; L471-L494 HydrophobicContact CD1-CD1 4.45Å; L471-L494 HydrophobicContact CD2-CD1 3.85Å; L471-L494 HydrophobicContact CG-CD1 3.98Å; L471-L494 HydrophobicContact CG-CG 4.36Å; E492-L494 HydrophobicContact CG-CD2 4.14Å; E492-L494 VanDerWaalsContact OE1-CD2 3.24Å; E492-L494 WeakPolarHBondContact OE1-CD2 3.32Å; L494-L562 HydrophobicContact CD1-CB 4.12Å; L494-L562 HydrophobicContact CD1-CD1 3.86Å; L494-R563 HydrophobicContact CD2-CG 4.08Å
495	K	89.6	Confident	81.7	Confident	24 Å²	24	63 Å²	63	10%	0.104	32%	0.316	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.5	138.2	174.3	-170.1	-172.1	173.9	-169	0	110	F463 S466 F468 V469 E497	F463-K495 HydrophobicContact CE1-CD 4.48Å; F463-K495 HydrophobicContact CE2-CB 4.28Å; F463-K495 HydrophobicContact CZ-CB 3.9Å; S466-K495 WeakPolarHBondContact O-CD 2.99Å; S466-K495 WeakPolarHBondContact O-CE 3.37Å; S466-K495 PolarHBondContact O-NZ 2.76Å; F468-K495 WeakPolarHBondContact CA-O 3.3Å; V469-K495 HydrophobicContact CB-CB 3.8Å; V469-K495 HydrophobicContact CG2-CB 3.96Å; V469-K495 HydrophobicContact CG2-CD 4.44Å; V469-K495 PolarHBondContact N-O 3.35Å; V469-K495 PolarHBondContact O-N 3.48Å; K495-E497 VanDerWaalsContact CE-CG 3.45Å; K495-E497 WeakPolarHBondContact CE-OE1 3.39Å; K495-E497 WeakPolarHBondContact CE-OE2 3.05Å; K495-E497 IonicContact NZ-OE1 3.72Å; K495-E497 PolarHBondContact NZ-OE1 2.91Å; K495-E497 IonicContact NZ-OE2 3.84Å; K495-E497 PolarHBondContact NZ-OE2 2.92Å
496	D	87.6	Confident	80.8	Confident	44 Å²	44	70.2 Å²	70.2	24%	0.235	35%	0.347	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.2	100.1	174.1	172.3	20.2	0	0	0	107.3	I493 M499 G500 L501	I493-D496 HydrophobicContact CG2-CB 3.84Å; D496-M499 PolarHBondContact OD1-N 2.78Å; D496-G500 PolarHBondContact OD1-N 3.05Å; D496-G500 VanDerWaalsContact OD2-C 3.32Å; D496-G500 VanDerWaalsContact OD2-CA 3.23Å; D496-G500 WeakPolarHBondContact OD2-CA 3.31Å; D496-G500 PolarHBondContact OD2-N 3.28Å; D496-L501 HydrophobicContact CB-CD1 4.4Å; D496-L501 PolarHBondContact OD2-N 2.87Å
497	E	79	Confident	80.3	Confident	111 Å²	111	77.1 Å²	77.1	52%	0.519	38%	0.379	S	S	.	.	S	Bend	trans	-100.1	-16.7	179.3	-82.2	177.4	175.3	0	0	113.7	D467 K495	D467-E497 PolarHBondContact O-N 3.35Å; D467-E497 VanDerWaalsContact O-N 3.14Å; K495-E497 VanDerWaalsContact CE-CG 3.45Å; K495-E497 WeakPolarHBondContact CE-OE1 3.39Å; K495-E497 WeakPolarHBondContact CE-OE2 3.05Å; K495-E497 IonicContact NZ-OE1 3.72Å; K495-E497 PolarHBondContact NZ-OE1 2.91Å; K495-E497 IonicContact NZ-OE2 3.84Å; K495-E497 PolarHBondContact NZ-OE2 2.92Å
498	K	79	Confident	80.1	Confident	126 Å²	126	78.1 Å²	78.1	55%	0.548	39%	0.388	S	S	.	.	S	Bend	trans	-140.8	-14.1	-167.8	-68.8	-177.2	-174.3	162.3	0	116.2	D467 V538	D467-K498 HydrophobicContact CB-CD 4.14Å; D467-K498 WeakPolarHBondContact OD1-CE 3.02Å; D467-K498 IonicContact OD1-NZ 3.83Å; D467-K498 PolarHBondContact OD1-NZ 3.2Å; D467-K498 WeakPolarHBondContact OD2-CD 3.3Å; D467-K498 IonicContact OD2-NZ 2.77Å; D467-K498 PolarHBondContact OD2-NZ 2.88Å; K498-V538 HydrophobicContact CB-CB 3.93Å; K498-V538 HydrophobicContact CB-CG1 4.06Å; K498-V538 HydrophobicContact CB-CG2 4.03Å; K498-V538 HydrophobicContact CD-CB 4.1Å
499	M	75.8	Confident	80	Confident	22 Å²	22	78.9 Å²	78.9	11%	0.108	39%	0.392	C	S	.	.	S	Bend	trans	-106.6	-31	-165.5	-161.4	-171.8	-58.4	0	0	112.9	F468 D496 L501 L509 V538 A543	F468-M499 HydrophobicContact CB-CE 4.14Å; F468-M499 HydrophobicContact CD1-CE 3.5Å; F468-M499 VanDerWaalsContact CD1-CE 3.5Å; F468-M499 HydrophobicContact CD2-CE 4.32Å; F468-M499 HydrophobicContact CE1-CE 3.89Å; F468-M499 HydrophobicContact CG-CE 3.74Å; F468-M499 HydrophobicContact CZ-CE 4.46Å; D496-M499 PolarHBondContact OD1-N 2.78Å; M499-L501 HydrophobicContact CB-CG 4.19Å; M499-L501 HydrophobicContact CE-CD1 4.46Å; M499-L501 HydrophobicContact CG-CG 4.22Å; M499-L501 HydrophobicContact SD-CD1 4.06Å; M499-L501 HydrophobicContact SD-CD2 3.45Å; M499-L501 WeakPolarHBondContact SD-CD2 3.37Å; M499-L501 HydrophobicContact SD-CG 3.57Å; M499-L501 VanDerWaalsContact SD-CG 3.57Å; M499-L509 HydrophobicContact SD-CD1 3.81Å; M499-L509 HydrophobicContact SD-CD2 4.42Å; M499-V538 HydrophobicContact CB-CG2 4.14Å; M499-V538 HydrophobicContact CE-CG2 3.62Å; M499-A543 HydrophobicContact CE-CB 3.46Å; M499-A543 VanDerWaalsContact CE-CB 3.46Å; M499-A543 HydrophobicContact SD-CB 4.16Å
500	G	76.8	Confident	80	Confident	22 Å²	22	82 Å²	82	23%	0.227	40%	0.403	C	S	.	.			trans	73.6	32.3	-176.9	0	0	0	0	0	112.7	D496 R502 F503	D496-G500 PolarHBondContact OD1-N 3.05Å; D496-G500 VanDerWaalsContact OD2-C 3.32Å; D496-G500 VanDerWaalsContact OD2-CA 3.23Å; D496-G500 WeakPolarHBondContact OD2-CA 3.31Å; D496-G500 PolarHBondContact OD2-N 3.28Å; G500-R502 PolarHBondContact O-N 3.31Å; G500-F503 WeakPolarHBondContact O-CD2 3.31Å; G500-F503 PolarHBondContact O-N 2.89Å
501	L	74.9	Confident	80.1	Confident	10 Å²	10	79.8 Å²	79.8	5%	0.052	39%	0.389	C	S	.	.	G	3₁₀ helix	trans	-47	-29.2	179.6	-79.3	165	0	0	0	113.5	F468 I470 I493 D496 M499 F503 F504 L509	F468-L501 HydrophobicContact CB-CD1 4.16Å; I470-L501 HydrophobicContact CG2-CD1 3.79Å; I493-L501 HydrophobicContact CD1-CB 3.59Å; I493-L501 HydrophobicContact CG1-CB 4.15Å; I493-L501 HydrophobicContact CG2-CB 4.36Å; I493-L501 HydrophobicContact CG2-CD1 4.29Å; D496-L501 HydrophobicContact CB-CD1 4.4Å; D496-L501 PolarHBondContact OD2-N 2.87Å; M499-L501 HydrophobicContact CB-CG 4.19Å; M499-L501 HydrophobicContact CE-CD1 4.46Å; M499-L501 HydrophobicContact CG-CG 4.22Å; M499-L501 HydrophobicContact SD-CD1 4.06Å; M499-L501 HydrophobicContact SD-CD2 3.45Å; M499-L501 WeakPolarHBondContact SD-CD2 3.37Å; M499-L501 HydrophobicContact SD-CG 3.57Å; M499-L501 VanDerWaalsContact SD-CG 3.57Å; L501-F503 PolarHBondContact O-N 3.18Å; L501-F504 PolarHBondContact O-N 2.94Å; L501-L509 HydrophobicContact CD2-CD1 3.76Å; L501-L509 HydrophobicContact CD2-CD2 3.78Å; L501-L509 HydrophobicContact CD2-CG 4.28Å
502	R	70.8	Confident	80.1	Confident	195 Å²	195	77.3 Å²	77.3	74%	0.736	38%	0.38	S	S	*	.	G	3₁₀ helix	trans	-64	-15	177.5	-62.8	-175.7	175.7	-151.9	-5	114.5	I493 G500	I493-R502 HydrophobicContact CD1-CG 3.88Å; G500-R502 PolarHBondContact O-N 3.31Å
503	F	65.9	Low	80.1	Confident	190 Å²	190	74.7 Å²	74.7	83%	0.833	37%	0.368	S	S	*	.	G	3₁₀ helix	trans	-93.9	-15.1	177.4	-62.6	-72.9	0	0	0	113.9	G500 L501 G505	G500-F503 WeakPolarHBondContact O-CD2 3.31Å; G500-F503 PolarHBondContact O-N 2.89Å; L501-F503 PolarHBondContact O-N 3.18Å; F503-G505 PolarHBondContact O-N 3.04Å
504	F	60.6	Low	79.9	Confident	105 Å²	105	75.4 Å²	75.4	46%	0.461	37%	0.372	S	S	.	.	S	Bend	trans	-77.3	1.3	-176	-72.8	-101.3	0	0	0	114.6	L501 K506 E507	L501-F504 PolarHBondContact O-N 2.94Å; F504-K506 PolarHBondContact O-N 3.14Å; F504-E507 PolarHBondContact O-N 2.87Å
505	G	66.6	Low	79.6	Confident	71 Å²	71	80.5 Å²	80.5	73%	0.732	40%	0.399	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.9	-94.9	167	0	0	0	0	0	115.1	F503	F503-G505 PolarHBondContact O-N 3.04Å
506	K	65.7	Low	79.2	Confident	208 Å²	208	79.9 Å²	79.9	90%	0.904	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-135.7	1.7	-176.8	-71.6	-170.3	177.6	-177.1	0	113.8	F504	F504-K506 PolarHBondContact O-N 3.14Å
507	E	76.9	Confident	78.7	Confident	145 Å²	145	82 Å²	82	68%	0.678	41%	0.408	S	S	*	.	S	Bend	trans	-73.8	146.6	-177.8	-66.8	177.3	171.3	0	0	110.1	F504	F504-E507 PolarHBondContact O-N 2.87Å
508	P	84.1	Confident	78.6	Confident	62 Å²	62	78.6 Å²	78.6	40%	0.403	39%	0.391	S	S	.	.	P	Polyproline II helix	trans	-65.9	136	175.2	28.9	-33.6	0	0	0	109.4	L487 T489 E510	L487-P508 HydrophobicContact CB-CB 4.3Å; T489-P508 HydrophobicContact CG2-CB 4.41Å; P508-E510 PolarHBondContact O-N 2.03Å
509	L	88.4	Confident	78.2	Confident	17 Å²	17	77.5 Å²	77.5	9%	0.089	39%	0.39	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	119.9	174	179	66.1	0	0	0	109.2	F468 I470 V488 V490 M499 L501 V511 A543	F468-L509 HydrophobicContact CE2-CD2 4.48Å; I470-L509 HydrophobicContact CD1-CD2 3.85Å; V488-L509 PolarHBondContact N-O 3.04Å; V488-L509 PolarHBondContact O-N 3.01Å; V490-L509 HydrophobicContact CG2-CB 3.76Å; V490-L509 HydrophobicContact CG2-CD2 4.41Å; M499-L509 HydrophobicContact SD-CD1 3.81Å; M499-L509 HydrophobicContact SD-CD2 4.42Å; L501-L509 HydrophobicContact CD2-CD1 3.76Å; L501-L509 HydrophobicContact CD2-CD2 3.78Å; L501-L509 HydrophobicContact CD2-CG 4.28Å; L509-V511 HydrophobicContact CD2-CG2 3.91Å; L509-V511 HydrophobicContact CG-CG2 3.91Å; L509-A543 HydrophobicContact CD1-CB 4.21Å; L509-A543 HydrophobicContact CD2-CB 4.07Å; L509-A543 HydrophobicContact CG-CB 4.23Å
510	E	89.8	Confident	78.2	Confident	119 Å²	119	78.3 Å²	78.3	56%	0.556	40%	0.398	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.2	127.5	165.9	-169.7	-178	172.3	0	0	110	L487 P508	L487-E510 HydrophobicContact CD2-CB 4.03Å; L487-E510 HydrophobicContact CD2-CG 4.26Å; P508-E510 PolarHBondContact O-N 2.03Å
511	V	90.6	Very high	78.2	Confident	1 Å²	1	79 Å²	79	1%	0.006	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	115.4	-179.6	-175	0	0	0	0	109.3	A486 V488 L509 A543 L545	A486-V511 PolarHBondContact N-O 3.02Å; A486-V511 PolarHBondContact O-N 3.41Å; V488-V511 HydrophobicContact CB-CG2 4.42Å; V488-V511 HydrophobicContact CG2-CG2 3.92Å; L509-V511 HydrophobicContact CD2-CG2 3.91Å; L509-V511 HydrophobicContact CG-CG2 3.91Å; V511-A543 HydrophobicContact CB-CB 4.4Å; V511-A543 HydrophobicContact CG1-CB 4.31Å; V511-A543 HydrophobicContact CG2-CB 4.02Å; V511-L545 HydrophobicContact CG1-CD1 3.72Å; V511-L545 HydrophobicContact CG1-CG 3.68Å
512	T	90	Very high	78.4	Confident	35 Å²	35	79.8 Å²	79.8	22%	0.215	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	134.3	176.9	-41.8	0	0	0	0	110.6	L514 A543 V544 L545	T512-L514 HydrophobicContact CG2-CD2 3.86Å; T512-L514 HydrophobicContact CG2-CG 4.25Å; T512-A543 PolarHBondContact N-O 2.86Å; T512-V544 WeakPolarHBondContact O-CA 3.26Å; T512-L545 PolarHBondContact O-N 3.32Å
513	L	90.1	Very high	78.7	Confident	0 Å²	0	70.8 Å²	70.8	0%	0	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	121.8	177	-54.6	-178.7	0	0	0	108.4	L477 S483 G484 A486 I516 W518 I525 L545	L477-L513 HydrophobicContact CD1-CD1 3.56Å; S483-L513 CarbonylContact C-O 3.54Å; S483-L513 VanDerWaalsContact CA-O 3.3Å; S483-L513 WeakPolarHBondContact CA-O 3.3Å; G484-L513 PolarHBondContact N-O 3.34Å; G484-L513 PolarHBondContact O-N 3.26Å; A486-L513 HydrophobicContact CB-CD1 4.39Å; L513-I516 HydrophobicContact CB-CD1 3.8Å; L513-I516 HydrophobicContact CB-CG1 4.37Å; L513-I516 HydrophobicContact CD1-CD1 4.31Å; L513-I516 HydrophobicContact CD2-CD1 4.29Å; L513-I516 HydrophobicContact CG-CD1 4.35Å; L513-W518 HydrophobicContact CD1-CH2 3.68Å; L513-W518 HydrophobicContact CD1-CZ2 4.26Å; L513-I525 HydrophobicContact CD1-CD1 4.15Å; L513-I525 HydrophobicContact CD2-CD1 3.76Å; L513-L545 HydrophobicContact CD2-CB 3.83Å; L513-L545 HydrophobicContact CD2-CD1 3.84Å; L513-L545 HydrophobicContact CD2-CG 4.33Å
514	L	87.1	Confident	79.1	Confident	57 Å²	57	66.7 Å²	66.7	30%	0.298	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	138	-176.7	-63.2	-178	0	0	0	112	T512 I516 V544 L545	T512-L514 HydrophobicContact CG2-CD2 3.86Å; T512-L514 HydrophobicContact CG2-CG 4.25Å; L514-I516 VanDerWaalsContact C-N 3.3Å; L514-I516 PolarHBondContact O-N 3.22Å; L514-V544 HydrophobicContact CB-CG1 4.48Å; L514-V544 HydrophobicContact CD1-CG1 3.68Å; L514-V544 HydrophobicContact CG-CG1 3.99Å; L514-L545 PolarHBondContact N-O 3.26Å
515	N	81.9	Confident	79.6	Confident	126 Å²	126	62 Å²	62	67%	0.674	34%	0.338	S	S	*	.	S	Bend	trans	60.9	29.6	177.3	-47.5	-77.1	0	0	0	114.7	P547	N515-P547 HydrophobicContact CB-CG 4.36Å; N515-P547 WeakPolarHBondContact O-CG 3.45Å
516	I	80.8	Confident	79.7	Confident	12 Å²	12	62.1 Å²	62.1	6%	0.062	33%	0.325	C	S	.	.			trans	-85.8	130.4	178	-58.8	-163.2	0	0	0	110.4	L513 L514 W518 P521 C522 I525	L513-I516 HydrophobicContact CB-CD1 3.8Å; L513-I516 HydrophobicContact CB-CG1 4.37Å; L513-I516 HydrophobicContact CD1-CD1 4.31Å; L513-I516 HydrophobicContact CD2-CD1 4.29Å; L513-I516 HydrophobicContact CG-CD1 4.35Å; L514-I516 VanDerWaalsContact C-N 3.3Å; L514-I516 PolarHBondContact O-N 3.22Å; I516-W518 HydrophobicContact CG2-CD2 4.44Å; I516-W518 HydrophobicContact CG2-CE3 4.49Å; I516-W518 PolarHBondContact O-N 2.86Å; I516-P521 HydrophobicContact CG2-CB 3.94Å; I516-C522 WeakPolarHBondContact CD1-O 3.25Å; I516-I525 HydrophobicContact CD1-CD1 3.72Å
517	D	78.1	Confident	79.9	Confident	87 Å²	87	57.1 Å²	57.1	47%	0.465	31%	0.307	S	S	.	.			trans	-82.1	102.8	166.9	175.1	9	0	0	0	109.7	N519 C520 P521	D517-N519 PolarHBondContact O-N 3.03Å; D517-N519 WeakPolarHBondContact OD1-CB 3.26Å; D517-N519 PolarHBondContact OD1-N 2.84Å; D517-N519 PolarHBondContact OD1-ND2 3.12Å; D517-C520 CarbonylContact O-C 3.5Å; D517-C520 PolarHBondContact O-N 3.05Å; D517-P521 WeakPolarHBondContact O-CA 3.26Å
518	W	76.6	Confident	79.2	Confident	41 Å²	41	52.3 Å²	52.3	16%	0.155	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.2	-10.8	179.4	-66.1	112.7	0	0	0	115.1	L477 E479 E480 S483 L513 I516 P521	L477-W518 HydrophobicContact CD1-CH2 4.19Å; E479-W518 HydrophobicContact CB-CD2 3.81Å; E479-W518 HydrophobicContact CB-CE3 3.98Å; E479-W518 HydrophobicContact CB-CG 4.27Å; E479-W518 HydrophobicContact CB-CH2 4.35Å; E479-W518 HydrophobicContact CB-CZ2 4.22Å; E479-W518 HydrophobicContact CB-CZ3 4.25Å; E479-W518 HydrophobicContact CG-CD2 3.99Å; E479-W518 HydrophobicContact CG-CE3 3.6Å; E479-W518 HydrophobicContact CG-CH2 4.09Å; E479-W518 HydrophobicContact CG-CZ2 4.46Å; E479-W518 HydrophobicContact CG-CZ3 3.66Å; E480-W518 PolarHBondContact O-NE1 3.38Å; S483-W518 WeakPolarHBondContact O-CZ2 2.99Å; S483-W518 PolarHBondContact O-NE1 2.91Å; L513-W518 HydrophobicContact CD1-CH2 3.68Å; L513-W518 HydrophobicContact CD1-CZ2 4.26Å; I516-W518 HydrophobicContact CG2-CD2 4.44Å; I516-W518 HydrophobicContact CG2-CE3 4.49Å; I516-W518 PolarHBondContact O-N 2.86Å; W518-P521 HydrophobicContact CE3-CB 4.4Å
519	N	71	Confident	78.1	Confident	102 Å²	102	56.6 Å²	56.6	55%	0.545	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-19.1	172.5	-47.6	-80.5	0	0	0	112	K416 D517	K416-N519 PolarHBondContact NZ-OD1 3.05Å; D517-N519 PolarHBondContact O-N 3.03Å; D517-N519 WeakPolarHBondContact OD1-CB 3.26Å; D517-N519 PolarHBondContact OD1-N 2.84Å; D517-N519 PolarHBondContact OD1-ND2 3.12Å
520	C	75.3	Confident	77.6	Confident	39 Å²	39	57.7 Å²	57.7	26%	0.264	32%	0.324	S	S	.	.	S	Bend	trans	-148.7	67.6	174.3	-72.1	0	0	0	0	110.3	C450 D517 C522	C450-C520 WeakPolarHBondContact CA-SG 3.39Å; C450-C520 HydrophobicContact CB-CB 3.75Å; C450-C520 WeakPolarHBondContact CB-SG 3.49Å; C450-C520 VanDerWaalsContact SG-CA 3.54Å; C450-C520 WeakPolarHBondContact SG-CB 3.47Å; C450-C520 CovalentContact SG-SG 2.04Å; C450-C520 PolarHBondContact SG-SG 2.98Å; D517-C520 CarbonylContact O-C 3.5Å; D517-C520 PolarHBondContact O-N 3.05Å; C520-C522 PolarHBondContact O-N 2.85Å
521	P	76.1	Confident	77.6	Confident	38 Å²	38	54.1 Å²	54.1	25%	0.247	31%	0.307	C	S	.	.			trans	-61.5	120.7	-167.9	22.2	-33.1	0	0	0	112.3	I516 D517 W518 P523	I516-P521 HydrophobicContact CG2-CB 3.94Å; D517-P521 WeakPolarHBondContact O-CA 3.26Å; W518-P521 HydrophobicContact CE3-CB 4.4Å; P521-P523 CarbonylContact C-O 3.58Å
522	C	79.1	Confident	77.6	Confident	26 Å²	26	54.7 Å²	54.7	18%	0.176	31%	0.31	C	S	.	.	S	Bend	trans	-122.2	139.2	171.2	-72.3	0	0	0	0	110.1	C453 I516 C520 P547	C453-C522 VanDerWaalsContact CA-SG 3.52Å; C453-C522 HydrophobicContact CB-CB 3.83Å; C453-C522 WeakPolarHBondContact CB-SG 3.5Å; C453-C522 WeakPolarHBondContact SG-CA 3.48Å; C453-C522 WeakPolarHBondContact SG-CB 3.5Å; C453-C522 CovalentContact SG-SG 2.05Å; C453-C522 PolarHBondContact SG-SG 2.94Å; I516-C522 WeakPolarHBondContact CD1-O 3.25Å; C520-C522 PolarHBondContact O-N 2.85Å; C522-P547 HydrophobicContact CB-CB 4.42Å; C522-P547 VanDerWaalsContact O-CA 3.32Å; C522-P547 WeakPolarHBondContact O-CA 3.18Å
523	P	77.4	Confident	77.7	Confident	5 Å²	5	53 Å²	53	3%	0.032	30%	0.3	C	S	.	.	S	Bend	cis	-61.7	165.5	-9.8	29.6	-35.8	0	0	0	111.3	P521 I525 Q546 S549 V551	P521-P523 CarbonylContact C-O 3.58Å; P523-I525 HydrophobicContact CG-CD1 3.93Å; P523-I525 HydrophobicContact CG-CG1 4.13Å; P523-I525 WeakPolarHBondContact O-CG1 3.44Å; P523-I525 PolarHBondContact O-N 2.85Å; P523-Q546 VanDerWaalsContact CD-O 3.3Å; P523-Q546 WeakPolarHBondContact CD-O 3.47Å; P523-S549 WeakPolarHBondContact CB-O 3.44Å; P523-V551 HydrophobicContact CB-CB 4.04Å; P523-V551 HydrophobicContact CB-CG2 4.19Å; P523-V551 HydrophobicContact CG-CB 4.08Å; P523-V551 HydrophobicContact CG-CG2 3.68Å
524	N	74.3	Confident	77.9	Confident	105 Å²	105	53 Å²	53	56%	0.561	30%	0.3	S	S	*	.			trans	-70	93.7	-174.8	-172.1	15	0	0	0	110.1
525	I	72.3	Confident	78.1	Confident	6 Å²	6	50.3 Å²	50.3	3%	0.031	29%	0.285	C	S	.	.			trans	-104.3	107.4	-176.2	-67.6	156.6	0	0	0	106.9	M474 L477 L513 I516 P523 V551	M474-I525 HydrophobicContact CE-CG2 3.72Å; M474-I525 HydrophobicContact SD-CG2 3.46Å; M474-I525 WeakPolarHBondContact SD-CG2 3.43Å; L477-I525 HydrophobicContact CD1-CG2 3.71Å; L477-I525 HydrophobicContact CD2-CG2 3.89Å; L477-I525 HydrophobicContact CG-CG2 4.44Å; L513-I525 HydrophobicContact CD1-CD1 4.15Å; L513-I525 HydrophobicContact CD2-CD1 3.76Å; I516-I525 HydrophobicContact CD1-CD1 3.72Å; P523-I525 HydrophobicContact CG-CD1 3.93Å; P523-I525 HydrophobicContact CG-CG1 4.13Å; P523-I525 WeakPolarHBondContact O-CG1 3.44Å; P523-I525 PolarHBondContact O-N 2.85Å; I525-V551 HydrophobicContact CG1-CG1 4.46Å; I525-V551 HydrophobicContact CG1-CG2 4.26Å
526	T	69.1	Low	78.6	Confident	74 Å²	74	44.3 Å²	44.3	45%	0.454	25%	0.253	S	S	.	.			trans	-131.3	141.3	173.4	58.4	0	0	0	0	109.6	S528	T526-S528 PolarHBondContact O-N 2.59Å
527	I	68.7	Low	79.1	Confident	103 Å²	103	45 Å²	45	53%	0.528	26%	0.258	S	S	.	.			trans	-60.1	122.6	164.4	-57.2	177	0	0	0	106.6	L477	L477-I527 HydrophobicContact CB-CD1 4.1Å; L477-I527 HydrophobicContact CB-CG1 3.99Å
528	S	62.1	Low	79.6	Confident	43 Å²	43	41.6 Å²	41.6	30%	0.301	24%	0.24	S	C	.	.			trans	-154	141.9	-179.5	61.6	0	0	0	0	109.8	T526 G530	T526-S528 PolarHBondContact O-N 2.59Å; S528-G530 PolarHBondContact O-N 3.43Å
529	D	61.3	Low	80	Confident	152 Å²	152	43.7 Å²	43.7	81%	0.813	25%	0.251	S	S	*	.	S	Bend	trans	-65.1	-13.1	-173.6	-55.9	-51.9	0	0	0	114.2	R473	R473-D529 PolarHBondContact NH1-O 3.32Å
530	G	78.4	Confident	80.4	Confident	40 Å²	40	46.6 Å²	46.6	41%	0.412	27%	0.267	S	S	.	.	S	Bend	trans	-83.4	146.6	-177.6	0	0	0	0	0	113.5	S528 L532	S528-G530 PolarHBondContact O-N 3.43Å; G530-L532 PolarHBondContact O-N 2.89Å
531	Q	88.7	Confident	80.6	Confident	45 Å²	45	47 Å²	47	21%	0.21	28%	0.278	C	S	.	.	P	Polyproline II helix	trans	-60.5	130.9	169.9	-176.9	-172	75.6	0	0	110.7	L471 E491 S554	L471-Q531 HydrophobicContact CB-CG 4.08Å; E491-Q531 VanDerWaalsContact OE2-CG 3.31Å; E491-Q531 WeakPolarHBondContact OE2-CG 3.33Å; E491-Q531 PolarHBondContact OE2-NE2 2.64Å; Q531-S554 VanDerWaalsContact O-CB 3.31Å; Q531-S554 WeakPolarHBondContact O-CB 3.38Å; Q531-S554 PolarHBondContact O-N 3.39Å; Q531-S554 PolarHBondContact OE1-OG 2.72Å
532	L	91.6	Very high	81	Confident	12 Å²	12	50.2 Å²	50.2	6%	0.063	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.2	152.1	175.2	-59.5	-179.8	0	0	0	110.7	L471 G472 G530 I534 V551	L471-L532 WeakPolarHBondContact CA-O 3.19Å; G472-L532 PolarHBondContact N-O 2.76Å; G472-L532 PolarHBondContact O-N 2.79Å; G530-L532 PolarHBondContact O-N 2.89Å; L532-I534 HydrophobicContact CB-CD1 4.47Å; L532-I534 HydrophobicContact CB-CG1 4.22Å; L532-V551 HydrophobicContact CD1-CG1 4.29Å
533	I	92.4	Very high	81.5	Confident	0 Å²	0	49.1 Å²	49.1	0%	0	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	122.7	161.7	-57.4	164.3	0	0	0	106.3	M459 V469 L471 M535 F550 V551 G552 R558 L562	M459-I533 HydrophobicContact CE-CD1 4.29Å; V469-I533 HydrophobicContact CG1-CG2 4.43Å; L471-I533 HydrophobicContact CD2-CB 4.24Å; L471-I533 HydrophobicContact CD2-CG1 3.61Å; L471-I533 HydrophobicContact CD2-CG2 4.42Å; I533-M535 HydrophobicContact CG2-CE 3.6Å; I533-M535 HydrophobicContact CG2-CG 4.31Å; I533-F550 HydrophobicContact CB-CE1 4.34Å; I533-F550 HydrophobicContact CG2-CD1 4.36Å; I533-F550 HydrophobicContact CG2-CE1 4.25Å; I533-V551 WeakPolarHBondContact O-CA 3.01Å; I533-G552 PolarHBondContact N-O 3.44Å; I533-G552 PolarHBondContact O-N 3.4Å; I533-G552 VanDerWaalsContact O-N 3.1Å; I533-R558 HydrophobicContact CD1-CB 3.75Å; I533-L562 HydrophobicContact CD1-CD1 4.3Å; I533-L562 HydrophobicContact CG2-CD1 3.89Å
534	I	92.8	Very high	82.2	Confident	0 Å²	0	49 Å²	49	0%	0	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	128.7	178.8	-61.6	171.1	0	0	0	108.3	F468 V469 I470 V488 L532 L545 F550 V551	F468-I534 HydrophobicContact CE2-CG2 4.15Å; V469-I534 WeakPolarHBondContact CA-O 3.37Å; I470-I534 HydrophobicContact CD1-CB 4.41Å; I470-I534 HydrophobicContact CG1-CB 3.91Å; I470-I534 HydrophobicContact CG1-CG2 4.44Å; I470-I534 PolarHBondContact N-O 2.8Å; I470-I534 PolarHBondContact O-N 3.45Å; V488-I534 HydrophobicContact CG1-CD1 3.88Å; V488-I534 HydrophobicContact CG2-CD1 3.91Å; L532-I534 HydrophobicContact CB-CD1 4.47Å; L532-I534 HydrophobicContact CB-CG1 4.22Å; I534-L545 HydrophobicContact CG2-CD1 4.04Å; I534-L545 HydrophobicContact CG2-CD2 3.88Å; I534-L545 HydrophobicContact CG2-CG 4.47Å; I534-F550 CarbonylContact C-O 3.53Å; I534-F550 WeakPolarHBondContact CA-O 3.29Å; I534-V551 HydrophobicContact CG1-CG1 4.27Å; I534-V551 HydrophobicContact CG1-CG2 4.33Å; I534-V551 HydrophobicContact CG2-CG2 4.36Å
535	M	93.2	Very high	83	Confident	0 Å²	0	44 Å²	44	0%	0	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	118.2	175.9	-39.7	-177.4	177.9	0	0	108.7	M459 F463 S466 F468 V469 I533 S549 F550 L562	M459-M535 HydrophobicContact CG-CE 4.08Å; F463-M535 HydrophobicContact CB-CE 4.24Å; F463-M535 HydrophobicContact CB-SD 4.02Å; F463-M535 HydrophobicContact CD2-CE 4.34Å; F463-M535 PolarHBondContact N-SD 3.46Å; F463-M535 VanDerWaalsContact N-SD 3.41Å; S466-M535 WeakPolarHBondContact OG-CB 3.01Å; F468-M535 WeakPolarHBondContact O-CA 3.38Å; V469-M535 HydrophobicContact CB-CG 4.41Å; V469-M535 HydrophobicContact CG1-CE 4.35Å; V469-M535 HydrophobicContact CG1-CG 3.9Å; V469-M535 HydrophobicContact CG2-CB 3.91Å; V469-M535 HydrophobicContact CG2-CG 3.81Å; V469-M535 HydrophobicContact CG2-SD 4.34Å; I533-M535 HydrophobicContact CG2-CE 3.6Å; I533-M535 HydrophobicContact CG2-CG 4.31Å; M535-S549 WeakPolarHBondContact O-CB 3.42Å; M535-F550 HydrophobicContact CB-CB 3.98Å; M535-F550 HydrophobicContact CE-CD1 3.79Å; M535-F550 HydrophobicContact CE-CE1 4.14Å; M535-F550 HydrophobicContact CE-CG 4.32Å; M535-F550 HydrophobicContact CG-CB 3.9Å; M535-F550 HydrophobicContact CG-CD1 3.98Å; M535-F550 HydrophobicContact CG-CG 4.29Å; M535-F550 PolarHBondContact N-O 2.85Å; M535-F550 PolarHBondContact O-N 3.07Å; M535-F550 HydrophobicContact SD-CB 3.87Å; M535-F550 HydrophobicContact SD-CD1 3.94Å; M535-F550 HydrophobicContact SD-CG 3.98Å; M535-L562 HydrophobicContact CE-CD1 3.84Å; M535-L562 HydrophobicContact CE-CD2 4.05Å
536	G	91.8	Very high	83.8	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.7	-176.7	-174.6	0	0	0	0	0	113	S466 D467 F468 V544	S466-G536 CarbonylContact C-O 3.01Å; S466-G536 WeakPolarHBondContact CB-O 3.21Å; D467-G536 PolarHBondContact N-O 3.33Å; F468-G536 VanDerWaalsContact CD1-C 3.44Å; F468-G536 VanDerWaalsContact CD1-O 3.26Å; F468-G536 WeakPolarHBondContact CD1-O 3.34Å; F468-G536 PolarHBondContact N-O 3.43Å; F468-G536 VanDerWaalsContact N-O 3.14Å; F468-G536 PolarHBondContact O-N 3.23Å; G536-V544 WeakPolarHBondContact CA-O 3.49Å
537	D	91.3	Very high	84.7	Confident	28 Å²	28	44.8 Å²	44.8	15%	0.15	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	158.1	-172.1	-57.2	-35.2	0	0	0	110.6	V544	D537-V544 PolarHBondContact N-O 3.03Å; D537-V544 PolarHBondContact O-N 3.09Å
538	V	88.9	Confident	85.5	Confident	15 Å²	15	41.7 Å²	41.7	9%	0.091	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.3	111	-178.5	-178.7	0	0	0	0	110.3	D467 F468 K498 M499 M542	D467-V538 HydrophobicContact CB-CB 4.2Å; D467-V538 HydrophobicContact CB-CG2 3.74Å; D467-V538 PolarHBondContact OD2-N 2.81Å; F468-V538 HydrophobicContact CD1-CG2 3.98Å; K498-V538 HydrophobicContact CB-CB 3.93Å; K498-V538 HydrophobicContact CB-CG1 4.06Å; K498-V538 HydrophobicContact CB-CG2 4.03Å; K498-V538 HydrophobicContact CD-CB 4.1Å; M499-V538 HydrophobicContact CB-CG2 4.14Å; M499-V538 HydrophobicContact CE-CG2 3.62Å; V538-M542 WeakPolarHBondContact CA-O 3.4Å
539	H	84.8	Confident	86.8	Confident	84 Å²	84	40 Å²	40	39%	0.389	23%	0.231	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	124.4	175.1	-65.5	172.3	0	0	0	109.5	G541 M542 V544	H539-G541 PolarHBondContact O-N 2.89Å; H539-M542 PolarHBondContact N-O 3.46Å; H539-M542 PolarHBondContact O-N 2.03Å; H539-V544 HydrophobicContact CB-CG2 3.92Å
540	N	79.7	Confident	88.2	Confident	164 Å²	164	34 Å²	34	88%	0.877	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	51.8	27.7	179.4	-58.8	-16.5	0	0	0	114.9
541	G	79.3	Confident	88.8	Confident	48 Å²	48	32.9 Å²	32.9	50%	0.495	18%	0.183	S	C	.	.	T	Hydrogen-bonded Turn	trans	90.3	-10.2	-177.1	0	0	0	0	0	115.2	H539	H539-G541 PolarHBondContact O-N 2.89Å
542	M	83.6	Confident	88.8	Confident	105 Å²	105	31.5 Å²	31.5	52%	0.517	18%	0.181	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	150.1	-179.9	-57.8	-179.7	-61.7	0	0	111.6	V538 H539	V538-M542 WeakPolarHBondContact CA-O 3.4Å; H539-M542 PolarHBondContact N-O 3.46Å; H539-M542 PolarHBondContact O-N 2.03Å
543	A	90.1	Very high	88.6	Confident	2 Å²	2	34.4 Å²	34.4	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.4	125.5	174.2	0	0	0	0	0	110.7	F468 M499 L509 V511 T512	F468-A543 HydrophobicContact CE1-CB 3.96Å; F468-A543 HydrophobicContact CZ-CB 3.89Å; M499-A543 HydrophobicContact CE-CB 3.46Å; M499-A543 VanDerWaalsContact CE-CB 3.46Å; M499-A543 HydrophobicContact SD-CB 4.16Å; L509-A543 HydrophobicContact CD1-CB 4.21Å; L509-A543 HydrophobicContact CD2-CB 4.07Å; L509-A543 HydrophobicContact CG-CB 4.23Å; V511-A543 HydrophobicContact CB-CB 4.4Å; V511-A543 HydrophobicContact CG1-CB 4.31Å; V511-A543 HydrophobicContact CG2-CB 4.02Å; T512-A543 PolarHBondContact N-O 2.86Å
544	V	91.4	Very high	88.3	Confident	3 Å²	3	35.7 Å²	35.7	2%	0.018	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	137.8	-177.1	-176.2	0	0	0	0	111.9	T512 L514 G536 D537 H539 Q546	T512-V544 WeakPolarHBondContact O-CA 3.26Å; L514-V544 HydrophobicContact CB-CG1 4.48Å; L514-V544 HydrophobicContact CD1-CG1 3.68Å; L514-V544 HydrophobicContact CG-CG1 3.99Å; G536-V544 WeakPolarHBondContact CA-O 3.49Å; D537-V544 PolarHBondContact N-O 3.03Å; D537-V544 PolarHBondContact O-N 3.09Å; H539-V544 HydrophobicContact CB-CG2 3.92Å; V544-Q546 HydrophobicContact CG1-CG 4.42Å
545	L	92	Very high	88.2	Confident	1 Å²	1	38 Å²	38	1%	0.005	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	137	165.1	-62.5	170.1	0	0	0	110.6	V511 T512 L513 L514 I534 V551	V511-L545 HydrophobicContact CG1-CD1 3.72Å; V511-L545 HydrophobicContact CG1-CG 3.68Å; T512-L545 PolarHBondContact O-N 3.32Å; L513-L545 HydrophobicContact CD2-CB 3.83Å; L513-L545 HydrophobicContact CD2-CD1 3.84Å; L513-L545 HydrophobicContact CD2-CG 4.33Å; L514-L545 PolarHBondContact N-O 3.26Å; I534-L545 HydrophobicContact CG2-CD1 4.04Å; I534-L545 HydrophobicContact CG2-CD2 3.88Å; I534-L545 HydrophobicContact CG2-CG 4.47Å; L545-V551 HydrophobicContact CD1-CG2 3.86Å; L545-V551 HydrophobicContact CD2-CG2 4.34Å
546	Q	89.3	Confident	87.9	Confident	44 Å²	44	44.1 Å²	44.1	21%	0.206	26%	0.264	C	S	.	.			trans	-115.8	166.2	175.4	-64.4	176.4	49.6	0	0	108.9	P523 V544 D548 S549	P523-Q546 VanDerWaalsContact CD-O 3.3Å; P523-Q546 WeakPolarHBondContact CD-O 3.47Å; V544-Q546 HydrophobicContact CG1-CG 4.42Å; Q546-D548 PolarHBondContact O-N 2.97Å; Q546-S549 PolarHBondContact N-OG 3.22Å; Q546-S549 WeakPolarHBondContact O-CB 3.12Å; Q546-S549 PolarHBondContact O-N 3.37Å; Q546-S549 PolarHBondContact O-OG 2.76Å
547	P	86.7	Confident	87.8	Confident	51 Å²	51	54.4 Å²	54.4	33%	0.331	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.4	-13.4	-172.2	-25.6	36.4	0	0	0	116.4	N515 C522	N515-P547 HydrophobicContact CB-CG 4.36Å; N515-P547 WeakPolarHBondContact O-CG 3.45Å; C522-P547 HydrophobicContact CB-CB 4.42Å; C522-P547 VanDerWaalsContact O-CA 3.32Å; C522-P547 WeakPolarHBondContact O-CA 3.18Å
548	D	85.8	Confident	87.8	Confident	39 Å²	39	57.5 Å²	57.5	21%	0.209	31%	0.313	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.8	0	175.8	72.6	-30.9	0	0	0	114.1	P455 R456 Q546	P455-D548 CarbonylContact C-O 3.57Å; P455-D548 VanDerWaalsContact CA-O 3.22Å; P455-D548 WeakPolarHBondContact CA-O 3.01Å; R456-D548 HydrophobicContact CB-CB 4.08Å; R456-D548 VanDerWaalsContact CB-OD2 3.3Å; R456-D548 WeakPolarHBondContact CB-OD2 3.44Å; R456-D548 WeakPolarHBondContact CD-OD2 3.45Å; R456-D548 WeakPolarHBondContact CG-OD2 3.45Å; R456-D548 IonicContact CZ-OD2 2.91Å; R456-D548 VanDerWaalsContact CZ-OD2 3.26Å; R456-D548 PolarHBondContact N-O 3.39Å; R456-D548 IonicContact NE-OD2 3.53Å; R456-D548 PolarHBondContact NE-OD2 3.2Å; R456-D548 IonicContact NH1-OD1 3.31Å; R456-D548 PolarHBondContact NH1-OD1 3.21Å; R456-D548 IonicContact NH1-OD2 2.65Å; R456-D548 PolarHBondContact NH1-OD2 2.81Å; Q546-D548 PolarHBondContact O-N 2.97Å
549	S	90.4	Very high	87.9	Confident	7 Å²	7	57.8 Å²	57.8	5%	0.049	31%	0.314	C	S	.	.	S	Bend	trans	-61.5	159.8	171.6	-61.8	0	0	0	0	111.6	P523 M535 Q546	P523-S549 WeakPolarHBondContact CB-O 3.44Å; M535-S549 WeakPolarHBondContact O-CB 3.42Å; Q546-S549 PolarHBondContact N-OG 3.22Å; Q546-S549 WeakPolarHBondContact O-CB 3.12Å; Q546-S549 PolarHBondContact O-N 3.37Å; Q546-S549 PolarHBondContact O-OG 2.76Å
550	F	90.3	Very high	88.1	Confident	26 Å²	26	61.9 Å²	61.9	11%	0.114	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	108.4	-178.1	-172.8	-79.5	0	0	0	110.6	P455 M459 I533 I534 M535	P455-F550 HydrophobicContact CB-CB 4.45Å; P455-F550 HydrophobicContact CB-CD2 4.13Å; P455-F550 HydrophobicContact CG-CD2 3.93Å; P455-F550 HydrophobicContact CG-CE2 4.46Å; M459-F550 HydrophobicContact CB-CE2 4.32Å; M459-F550 HydrophobicContact CB-CZ 4.45Å; M459-F550 HydrophobicContact CE-CE1 4.05Å; M459-F550 HydrophobicContact CE-CE2 4.41Å; M459-F550 HydrophobicContact CE-CZ 3.54Å; I533-F550 HydrophobicContact CB-CE1 4.34Å; I533-F550 HydrophobicContact CG2-CD1 4.36Å; I533-F550 HydrophobicContact CG2-CE1 4.25Å; I534-F550 CarbonylContact C-O 3.53Å; I534-F550 WeakPolarHBondContact CA-O 3.29Å; M535-F550 HydrophobicContact CB-CB 3.98Å; M535-F550 HydrophobicContact CE-CD1 3.79Å; M535-F550 HydrophobicContact CE-CE1 4.14Å; M535-F550 HydrophobicContact CE-CG 4.32Å; M535-F550 HydrophobicContact CG-CB 3.9Å; M535-F550 HydrophobicContact CG-CD1 3.98Å; M535-F550 HydrophobicContact CG-CG 4.29Å; M535-F550 PolarHBondContact N-O 2.85Å; M535-F550 PolarHBondContact O-N 3.07Å; M535-F550 HydrophobicContact SD-CB 3.87Å; M535-F550 HydrophobicContact SD-CD1 3.94Å; M535-F550 HydrophobicContact SD-CG 3.98Å
551	V	90.6	Very high	88.6	Confident	17 Å²	17	59.6 Å²	59.6	10%	0.103	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	139.5	164.4	-178.9	0	0	0	0	108.6	P523 I525 L532 I533 I534 L545	P523-V551 HydrophobicContact CB-CB 4.04Å; P523-V551 HydrophobicContact CB-CG2 4.19Å; P523-V551 HydrophobicContact CG-CB 4.08Å; P523-V551 HydrophobicContact CG-CG2 3.68Å; I525-V551 HydrophobicContact CG1-CG1 4.46Å; I525-V551 HydrophobicContact CG1-CG2 4.26Å; L532-V551 HydrophobicContact CD1-CG1 4.29Å; I533-V551 WeakPolarHBondContact O-CA 3.01Å; I534-V551 HydrophobicContact CG1-CG1 4.27Å; I534-V551 HydrophobicContact CG1-CG2 4.33Å; I534-V551 HydrophobicContact CG2-CG2 4.36Å; L545-V551 HydrophobicContact CD1-CG2 3.86Å; L545-V551 HydrophobicContact CD2-CG2 4.34Å
552	G	88.3	Confident	89.2	Confident	16 Å²	16	57.3 Å²	57.3	17%	0.165	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	173.8	162.6	169.4	0	0	0	0	0	113.7	I533 S554	I533-G552 PolarHBondContact N-O 3.44Å; I533-G552 PolarHBondContact O-N 3.4Å; I533-G552 VanDerWaalsContact O-N 3.1Å; G552-S554 PolarHBondContact O-N 3.27Å
553	S	87.7	Confident	89.5	Confident	72 Å²	72	58.3 Å²	58.3	50%	0.503	28%	0.283	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.9	136.1	-175.5	50.5	0	0	0	0	114.4	R558	S553-R558 WeakPolarHBondContact O-CD 3.04Å; S553-R558 PolarHBondContact O-NH1 3.14Å; S553-R558 PolarHBondContact OG-NH1 2.04Å
554	S	87.4	Confident	89.5	Confident	28 Å²	28	61 Å²	61	20%	0.196	30%	0.295	C	S	.	.			trans	-71.2	160.7	171.5	104.6	0	0	0	0	110.9	Q531 G552	Q531-S554 VanDerWaalsContact O-CB 3.31Å; Q531-S554 WeakPolarHBondContact O-CB 3.38Å; Q531-S554 PolarHBondContact O-N 3.39Å; Q531-S554 PolarHBondContact OE1-OG 2.72Å; G552-S554 PolarHBondContact O-N 3.27Å
555	S	89.5	Confident	89.4	Confident	47 Å²	47	61.4 Å²	61.4	33%	0.329	30%	0.297	S	S	.	.			trans	-159.3	156.2	161.3	74.7	0	0	0	0	109.5	R557 R558 I559	S555-R557 PolarHBondContact O-N 2.94Å; S555-R557 VanDerWaalsContact O-N 3.12Å; S555-R558 WeakPolarHBondContact O-CA 3.15Å; S555-R558 WeakPolarHBondContact O-CB 3.44Å; S555-R558 PolarHBondContact O-N 2.86Å; S555-R558 WeakPolarHBondContact OG-CG 3.35Å; S555-R558 PolarHBondContact OG-N 3.01Å; S555-I559 WeakPolarHBondContact O-CG1 3.5Å; S555-I559 PolarHBondContact O-N 2.7Å
556	T	87.9	Confident	89.2	Confident	129 Å²	129	64.8 Å²	64.8	79%	0.791	32%	0.317	S	S	*	.	H	α-helix	trans	-51.2	-40.1	-179.3	55.5	0	0	0	0	112.7	R560	T556-R560 VanDerWaalsContact O-CB 3.22Å; T556-R560 WeakPolarHBondContact O-CB 3.49Å; T556-R560 PolarHBondContact O-N 3.33Å
557	R	90.1	Very high	89.1	Confident	216 Å²	216	70.4 Å²	70.4	82%	0.815	34%	0.344	S	S	*	.	H	α-helix	trans	-68.9	-36.4	175.7	-169.7	178.1	-175.7	-176.1	2.9	113.2	S555 K561	S555-R557 PolarHBondContact O-N 2.94Å; S555-R557 VanDerWaalsContact O-N 3.12Å; R557-K561 PolarHBondContact O-N 2.94Å
558	R	89.4	Confident	89.1	Confident	94 Å²	94	73.6 Å²	73.6	36%	0.355	35%	0.353	S	S	.	.	H	α-helix	trans	-70.9	-51.4	176.6	-69.9	176.2	167.8	-173.3	-0.4	110.6	M459 I533 S553 S555 R560 K561 L562	M459-R558 HydrophobicContact CE-CB 4.12Å; M459-R558 HydrophobicContact CE-CG 3.79Å; M459-R558 HydrophobicContact SD-CB 4.27Å; M459-R558 HydrophobicContact SD-CG 4.29Å; I533-R558 HydrophobicContact CD1-CB 3.75Å; S553-R558 WeakPolarHBondContact O-CD 3.04Å; S553-R558 PolarHBondContact O-NH1 3.14Å; S553-R558 PolarHBondContact OG-NH1 2.04Å; S555-R558 WeakPolarHBondContact O-CA 3.15Å; S555-R558 WeakPolarHBondContact O-CB 3.44Å; S555-R558 PolarHBondContact O-N 2.86Å; S555-R558 WeakPolarHBondContact OG-CG 3.35Å; S555-R558 PolarHBondContact OG-N 3.01Å; R558-R560 PolarHBondContact O-N 3.21Å; R558-K561 WeakPolarHBondContact O-CB 3.24Å; R558-K561 PolarHBondContact O-N 2.99Å; R558-K561 VanDerWaalsContact O-N 3.11Å; R558-L562 PolarHBondContact O-N 3.43Å
559	I	90.9	Very high	88.9	Confident	20 Å²	20	78.2 Å²	78.2	10%	0.103	37%	0.371	C	S	.	.	H	α-helix	trans	-59.1	-48.3	179.9	-61.1	163	0	0	0	110.7	L471 S555 K561 L562 R563	L471-I559 HydrophobicContact CD1-CD1 3.9Å; L471-I559 HydrophobicContact CD1-CG1 3.86Å; L471-I559 HydrophobicContact CD1-CG2 4.05Å; L471-I559 HydrophobicContact CD2-CG1 4.32Å; S555-I559 WeakPolarHBondContact O-CG1 3.5Å; S555-I559 PolarHBondContact O-N 2.7Å; I559-K561 VanDerWaalsContact C-N 3.27Å; I559-K561 PolarHBondContact O-N 2.95Å; I559-L562 PolarHBondContact O-N 3.22Å; I559-L562 VanDerWaalsContact O-N 3.1Å; I559-R563 HydrophobicContact CG2-CG 4.43Å; I559-R563 PolarHBondContact O-N 3.2Å
560	R	90.1	Very high	88.6	Confident	170 Å²	170	80 Å²	80	64%	0.642	38%	0.381	S	S	*	.	H	α-helix	trans	-55.4	-43.1	175.6	178.2	175.6	172.7	152.9	3.4	111.8	T556 R558 L562 R563 E564	T556-R560 VanDerWaalsContact O-CB 3.22Å; T556-R560 WeakPolarHBondContact O-CB 3.49Å; T556-R560 PolarHBondContact O-N 3.33Å; R558-R560 PolarHBondContact O-N 3.21Å; R560-L562 PolarHBondContact O-N 3.47Å; R560-R563 PolarHBondContact O-N 3.37Å; R560-E564 IonicContact CZ-OE1 3.86Å; R560-E564 IonicContact NE-OE1 3.63Å; R560-E564 PolarHBondContact NE-OE1 2.78Å; R560-E564 IonicContact NH2-OE1 3.85Å; R560-E564 WeakPolarHBondContact O-CG 3.24Å; R560-E564 PolarHBondContact O-N 3.05Å
561	K	90.3	Very high	88.2	Confident	116 Å²	116	79.7 Å²	79.7	50%	0.504	38%	0.382	S	S	.	.	H	α-helix	trans	-64.9	-37	178.6	-172.9	172.8	-178.3	175.8	0	112.5	R557 R558 I559 V565	R557-K561 PolarHBondContact O-N 2.94Å; R558-K561 WeakPolarHBondContact O-CB 3.24Å; R558-K561 PolarHBondContact O-N 2.99Å; R558-K561 VanDerWaalsContact O-N 3.11Å; I559-K561 VanDerWaalsContact C-N 3.27Å; I559-K561 PolarHBondContact O-N 2.95Å; K561-V565 WeakPolarHBondContact O-CG2 3.31Å; K561-V565 PolarHBondContact O-N 3.43Å; K561-V565 VanDerWaalsContact O-N 3.1Å
562	L	91.4	Very high	87.7	Confident	0 Å²	0	82.1 Å²	82.1	0%	0	40%	0.395	C	S	.	.	H	α-helix	trans	-68.9	-43.7	174.6	-63.7	-177.2	0	0	0	111.8	M459 F463 L494 I533 M535 R558 I559 R560 E564 V565 V566	M459-L562 HydrophobicContact CG-CD2 3.8Å; M459-L562 HydrophobicContact SD-CD2 4.27Å; F463-L562 HydrophobicContact CB-CD2 4.18Å; F463-L562 HydrophobicContact CD2-CB 4.46Å; F463-L562 HydrophobicContact CD2-CD1 4.32Å; F463-L562 HydrophobicContact CD2-CD2 3.72Å; F463-L562 HydrophobicContact CD2-CG 4.38Å; F463-L562 HydrophobicContact CE2-CB 4.42Å; F463-L562 HydrophobicContact CE2-CD2 4.48Å; F463-L562 HydrophobicContact CG-CD2 4.12Å; L494-L562 HydrophobicContact CD1-CB 4.12Å; L494-L562 HydrophobicContact CD1-CD1 3.86Å; I533-L562 HydrophobicContact CD1-CD1 4.3Å; I533-L562 HydrophobicContact CG2-CD1 3.89Å; M535-L562 HydrophobicContact CE-CD1 3.84Å; M535-L562 HydrophobicContact CE-CD2 4.05Å; R558-L562 PolarHBondContact O-N 3.43Å; I559-L562 PolarHBondContact O-N 3.22Å; I559-L562 VanDerWaalsContact O-N 3.1Å; R560-L562 PolarHBondContact O-N 3.47Å; L562-E564 VanDerWaalsContact C-N 3.29Å; L562-E564 PolarHBondContact O-N 2.83Å; L562-V565 WeakPolarHBondContact O-CB 3.36Å; L562-V565 PolarHBondContact O-N 2.71Å; L562-V565 VanDerWaalsContact O-N 3.07Å; L562-V566 PolarHBondContact O-N 2.95Å
563	R	90.6	Very high	86.8	Confident	127 Å²	127	87.5 Å²	87.5	48%	0.479	41%	0.414	S	S	.	.	H	α-helix	trans	-61.2	-36.7	174.2	-67.3	-174.4	-174.3	158.6	4.3	112.1	E492 L494 I559 R560 V566 Q567	E492-R563 IonicContact OE1-CZ 3.02Å; E492-R563 VanDerWaalsContact OE1-CZ 3.26Å; E492-R563 IonicContact OE1-NE 2.71Å; E492-R563 PolarHBondContact OE1-NE 2.73Å; E492-R563 IonicContact OE1-NH2 3.99Å; E492-R563 PolarHBondContact OE1-NH2 2.97Å; E492-R563 IonicContact OE2-CZ 2.81Å; E492-R563 IonicContact OE2-NE 2.81Å; E492-R563 IonicContact OE2-NH2 3.27Å; E492-R563 PolarHBondContact OE2-NH2 3.37Å; L494-R563 HydrophobicContact CD2-CG 4.08Å; I559-R563 HydrophobicContact CG2-CG 4.43Å; I559-R563 PolarHBondContact O-N 3.2Å; R560-R563 PolarHBondContact O-N 3.37Å; R563-V566 PolarHBondContact O-N 3.4Å; R563-Q567 WeakPolarHBondContact O-CB 3.38Å; R563-Q567 PolarHBondContact O-N 3.29Å
564	E	90.1	Very high	85.8	Confident	59 Å²	59	88 Å²	88	28%	0.276	41%	0.41	S	S	.	.	H	α-helix	trans	-66.3	-34.7	172.4	-75.4	-172.8	-141.5	0	0	113.2	R560 L562 K568	R560-E564 IonicContact CZ-OE1 3.86Å; R560-E564 IonicContact NE-OE1 3.63Å; R560-E564 PolarHBondContact NE-OE1 2.78Å; R560-E564 IonicContact NH2-OE1 3.85Å; R560-E564 WeakPolarHBondContact O-CG 3.24Å; R560-E564 PolarHBondContact O-N 3.05Å; L562-E564 VanDerWaalsContact C-N 3.29Å; L562-E564 PolarHBondContact O-N 2.83Å; E564-K568 VanDerWaalsContact O-CB 3.26Å; E564-K568 WeakPolarHBondContact O-CB 3.29Å; E564-K568 VanDerWaalsContact O-CG 3.31Å; E564-K568 WeakPolarHBondContact O-CG 3.38Å; E564-K568 PolarHBondContact O-N 2.95Å; E564-K568 IonicContact OE2-NZ 2.74Å; E564-K568 PolarHBondContact OE2-NZ 2.86Å
565	V	89.1	Confident	84.7	Confident	10 Å²	10	91.7 Å²	91.7	6%	0.061	42%	0.423	C	S	.	.	H	α-helix	trans	-65.2	-42.6	174.2	161.3	0	0	0	0	111.5	V460 F463 K561 L562 K569 T570	V460-V565 HydrophobicContact CB-CG2 4.49Å; V460-V565 HydrophobicContact CG1-CG1 4.36Å; V460-V565 HydrophobicContact CG1-CG2 3.76Å; V460-V565 HydrophobicContact CG2-CG2 4.01Å; F463-V565 HydrophobicContact CD1-CG1 3.71Å; F463-V565 HydrophobicContact CE1-CG1 3.98Å; F463-V565 HydrophobicContact CG-CG1 4.47Å; K561-V565 WeakPolarHBondContact O-CG2 3.31Å; K561-V565 PolarHBondContact O-N 3.43Å; K561-V565 VanDerWaalsContact O-N 3.1Å; L562-V565 WeakPolarHBondContact O-CB 3.36Å; L562-V565 PolarHBondContact O-N 2.71Å; L562-V565 VanDerWaalsContact O-N 3.07Å; V565-K569 PolarHBondContact O-N 2.88Å; V565-T570 PolarHBondContact O-N 3.24Å
566	V	87.1	Confident	83.3	Confident	72 Å²	72	94.4 Å²	94.4	44%	0.436	43%	0.434	S	S	.	.	H	α-helix	trans	-63.2	-53.4	173.9	175.2	0	0	0	0	110.6	F463 L562 R563 K568 K569	F463-V566 HydrophobicContact CE1-CG2 3.84Å; F463-V566 HydrophobicContact CE2-CG2 4.36Å; F463-V566 HydrophobicContact CZ-CG2 3.38Å; L562-V566 PolarHBondContact O-N 2.95Å; R563-V566 PolarHBondContact O-N 3.4Å; V566-K568 VanDerWaalsContact C-N 3.29Å; V566-K568 PolarHBondContact O-N 2.04Å; V566-K569 PolarHBondContact O-N 3.2Å; V566-K569 VanDerWaalsContact O-N 3.11Å
567	Q	87.1	Confident	81.8	Confident	163 Å²	163	96.1 Å²	96.1	76%	0.762	43%	0.43	S	S	*	.	H	α-helix	trans	-61.3	-36	-176.3	-170.5	-177.5	20.1	0	0	112.9	R563	R563-Q567 WeakPolarHBondContact O-CB 3.38Å; R563-Q567 PolarHBondContact O-N 3.29Å
568	K	86.5	Confident	80	Confident	118 Å²	118	90.2 Å²	90.2	51%	0.513	42%	0.423	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	8.4	-179.9	-64.1	168.6	180	165.3	0	113.4	E564 V566 T570	E564-K568 VanDerWaalsContact O-CB 3.26Å; E564-K568 WeakPolarHBondContact O-CB 3.29Å; E564-K568 VanDerWaalsContact O-CG 3.31Å; E564-K568 WeakPolarHBondContact O-CG 3.38Å; E564-K568 PolarHBondContact O-N 2.95Å; E564-K568 IonicContact OE2-NZ 2.74Å; E564-K568 PolarHBondContact OE2-NZ 2.86Å; V566-K568 VanDerWaalsContact C-N 3.29Å; V566-K568 PolarHBondContact O-N 2.04Å; K568-T570 PolarHBondContact O-N 3.09Å
569	K	83.1	Confident	77.8	Confident	135 Å²	135	90.4 Å²	90.4	59%	0.587	44%	0.438	S	S	*	.	T	Hydrogen-bonded Turn	trans	46.9	36.5	-176.7	-69.2	-172.9	158.8	-143.6	0	113.7	V565 V566 C571 D572 F573	V565-K569 PolarHBondContact O-N 2.88Å; V566-K569 PolarHBondContact O-N 3.2Å; V566-K569 VanDerWaalsContact O-N 3.11Å; K569-C571 PolarHBondContact O-N 3.1Å; K569-D572 IonicContact NZ-OD2 3.2Å; K569-D572 PolarHBondContact O-N 2.86Å; K569-F573 WeakPolarHBondContact O-CD2 3.28Å
570	T	82.9	Confident	75.2	Confident	44 Å²	44	97.9 Å²	97.9	27%	0.27	49%	0.485	S	S	.	.	H	α-helix	trans	-64.2	-22	-167.4	-51.1	0	0	0	0	112.9	V565 K568 L574	V565-T570 PolarHBondContact O-N 3.24Å; K568-T570 PolarHBondContact O-N 3.09Å; T570-L574 HydrophobicContact CG2-CD1 4.23Å; T570-L574 WeakPolarHBondContact O-CB 3.47Å; T570-L574 WeakPolarHBondContact O-CD1 3.14Å; T570-L574 VanDerWaalsContact O-CG 3.25Å; T570-L574 WeakPolarHBondContact O-CG 3.41Å; T570-L574 PolarHBondContact O-N 2.86Å
571	C	82.1	Confident	74.5	Confident	20 Å²	20	94.3 Å²	94.3	14%	0.135	48%	0.477	C	S	.	.	H	α-helix	trans	-72.7	-26.1	174.7	-57.9	0	0	0	0	114.4	C464 K569 K575	C464-C571 WeakPolarHBondContact CA-SG 3.33Å; C464-C571 HydrophobicContact CB-CB 3.57Å; C464-C571 WeakPolarHBondContact CB-SG 3.45Å; C464-C571 WeakPolarHBondContact SG-CA 3.08Å; C464-C571 WeakPolarHBondContact SG-CB 3.32Å; C464-C571 CovalentContact SG-SG 2.04Å; C464-C571 PolarHBondContact SG-SG 2.82Å; K569-C571 PolarHBondContact O-N 3.1Å; C571-K575 WeakPolarHBondContact O-CG 3.1Å; C571-K575 PolarHBondContact O-N 2.74Å
572	D	79.3	Confident	73.7	Confident	68 Å²	68	93.2 Å²	93.2	36%	0.364	48%	0.476	S	S	.	.	H	α-helix	trans	-71.7	-53.2	178	-62.3	-20.3	0	0	0	108.8	K569 L574 K575 D576	K569-D572 IonicContact NZ-OD2 3.2Å; K569-D572 PolarHBondContact O-N 2.86Å; D572-L574 PolarHBondContact O-N 2.7Å; D572-L574 VanDerWaalsContact O-N 3.12Å; D572-K575 WeakPolarHBondContact O-CB 3.48Å; D572-K575 PolarHBondContact O-N 2.82Å; D572-D576 PolarHBondContact O-N 3.05Å
573	F	71.3	Confident	72.7	Confident	129 Å²	129	98.3 Å²	98.3	57%	0.566	50%	0.502	S	S	*	.	H	α-helix	trans	-54.8	-32	172.8	-65.5	-75.2	0	0	0	113.8	K569 F577	K569-F573 WeakPolarHBondContact O-CD2 3.28Å; F573-F577 WeakPolarHBondContact O-CD2 3.49Å
574	L	66.7	Low	71.6	Confident	83 Å²	83	96.6 Å²	96.6	44%	0.435	50%	0.504	S	S	.	.	H	α-helix	trans	-77.5	-18.3	177.6	-76.7	171.3	0	0	0	113.8	V460 T570 D572	V460-L574 HydrophobicContact CG1-CD1 4.36Å; T570-L574 HydrophobicContact CG2-CD1 4.23Å; T570-L574 WeakPolarHBondContact O-CB 3.47Å; T570-L574 WeakPolarHBondContact O-CD1 3.14Å; T570-L574 VanDerWaalsContact O-CG 3.25Å; T570-L574 WeakPolarHBondContact O-CG 3.41Å; T570-L574 PolarHBondContact O-N 2.86Å; D572-L574 PolarHBondContact O-N 2.7Å; D572-L574 VanDerWaalsContact O-N 3.12Å
575	K	63.9	Low	70.5	Confident	105 Å²	105	99 Å²	99	46%	0.457	52%	0.518	S	S	.	.	H	α-helix	trans	-73.7	-44.4	171	-73.1	166.9	-178.8	170.5	0	110.2	C571 D572 F577 S578 S579	C571-K575 WeakPolarHBondContact O-CG 3.1Å; C571-K575 PolarHBondContact O-N 2.74Å; D572-K575 WeakPolarHBondContact O-CB 3.48Å; D572-K575 PolarHBondContact O-N 2.82Å; K575-F577 VanDerWaalsContact C-N 3.3Å; K575-F577 PolarHBondContact O-N 3.47Å; K575-S578 WeakPolarHBondContact O-CA 3.38Å; K575-S578 WeakPolarHBondContact O-CB 3.41Å; K575-S578 PolarHBondContact O-N 3.01Å; K575-S578 PolarHBondContact O-OG 2.81Å; K575-S579 PolarHBondContact O-OG 3.49Å
576	D	58.7	Low	69.2	Low	105 Å²	105	104.9 Å²	104.9	56%	0.561	55%	0.548	S	S	*	.	H	α-helix	trans	-57	-40	-178.2	-58.9	-27.1	0	0	0	113	D572 S578 S579	D572-D576 PolarHBondContact O-N 3.05Å; D576-S578 PolarHBondContact O-N 3.1Å; D576-S579 PolarHBondContact O-OG 3.07Å
577	F	57.1	Low	67.9	Low	164 Å²	164	107.3 Å²	107.3	72%	0.719	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.1	3.7	175.2	-68.8	-65.9	0	0	0	115	F573 K575	F573-F577 WeakPolarHBondContact O-CD2 3.49Å; K575-F577 VanDerWaalsContact C-N 3.3Å; K575-F577 PolarHBondContact O-N 3.47Å
578	S	52.3	Low	66.5	Low	93 Å²	93	103 Å²	103	65%	0.65	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.1	-2.4	176.5	70.9	0	0	0	0	113.8	K575 D576	K575-S578 WeakPolarHBondContact O-CA 3.38Å; K575-S578 WeakPolarHBondContact O-CB 3.41Å; K575-S578 PolarHBondContact O-N 3.01Å; K575-S578 PolarHBondContact O-OG 2.81Å; D576-S578 PolarHBondContact O-N 3.1Å
579	S	44	Very low	64.8	Low	98 Å²	98	101.8 Å²	101.8	69%	0.685	54%	0.543	S	S	*	.			trans	-105.9	17.5	179.4	41	0	0	0	0	113.8	K575 D576	K575-S579 PolarHBondContact O-OG 3.49Å; D576-S579 PolarHBondContact O-OG 3.07Å
580	T	36.2	Very low	63.1	Low	177 Å²	177	98.7 Å²	98.7	100%	1.086	54%	0.539	S	S	*	.			trans	-132.8	0	175	58	0	0	0	0	110.4

Retrieved 580 of 580 residues in 1248.6 ms (Link to these results)

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