A0A077ZE39_TRITR Loading...

Ribosome biogenesis protein BOP1 homolog

Component of the PeBoW complex, which is required for maturation of 28S and 5.8S ribosomal RNAs and formation of the 60S ribosome. Required for maturation of ribosomal RNAs and formation of the large ribosomal subunit.

AlphaFold DB , UniProt , Accession A0A077ZE39, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 660 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.9	Low	38.9	Very low	222 Å²	222	157.7 Å²	157.7	100%	1.094	86%	0.858	S	S	*	*				0	117	0	-67	177.3	179	0	0	103.2
2	D	34.6	Very low	38.4	Very low	165 Å²	165	154.8 Å²	154.8	88%	0.882	85%	0.848	S	S	*	*			trans	73.6	128.9	162	-31.6	-42.7	0	0	0	115.9
3	G	44.7	Very low	37.9	Very low	72 Å²	72	152.7 Å²	152.7	74%	0.742	84%	0.835	S	S	*	*			cis	-149.2	141.1	-20.1	0	0	0	0	0	109
4	D	41.1	Very low	37.5	Very low	168 Å²	168	154.3 Å²	154.3	90%	0.898	83%	0.83	S	S	*	*			trans	-11.2	145.6	148.8	-58.4	-39.5	0	0	0	116.6
5	A	39.1	Very low	37.5	Very low	87 Å²	87	154.7 Å²	154.7	72%	0.719	83%	0.831	S	S	*	*			cis	-167.2	122.4	-7	0	0	0	0	0	106.4
6	M	35	Very low	37.5	Very low	191 Å²	191	153.8 Å²	153.8	94%	0.941	83%	0.825	S	S	*	*			trans	171.6	113.5	159.9	-103.5	170.8	-176.4	0	0	109.3
7	E	45.3	Very low	37.8	Very low	201 Å²	201	155.8 Å²	155.8	94%	0.939	83%	0.829	S	S	*	*			trans	-88.6	134.1	173.4	-73.4	177.1	158.5	0	0	109.8
8	V	37.7	Very low	37.6	Very low	126 Å²	126	150.9 Å²	150.9	76%	0.764	82%	0.822	S	S	*	*			trans	-113.7	154.8	172	-172.8	0	0	0	0	105.8
9	E	29.4	Very low	37.5	Very low	175 Å²	175	152.9 Å²	152.9	82%	0.818	82%	0.822	S	S	*	*			trans	108.2	137.9	155.3	-54.3	-170.9	159.1	0	0	118.9
10	E	34.6	Very low	37	Very low	171 Å²	171	154.6 Å²	154.6	80%	0.799	82%	0.824	S	S	*	*			trans	98.7	87.6	158.5	-56.8	-166.1	156.2	0	0	121.1
11	N	34.6	Very low	36.8	Very low	157 Å²	157	152.8 Å²	152.8	84%	0.84	81%	0.814	S	S	*	*				170.7	103.4	124	-86.4	-41.6	0	0	0	109.8
12	V	32.4	Very low	35.8	Very low	123 Å²	123	149.6 Å²	149.6	75%	0.745	80%	0.796	S	S	*	*				75.9	83.2	70.1	-175.2	0	0	0	0	114.6
13	D	32.4	Very low	35.7	Very low	127 Å²	127	148.1 Å²	148.1	68%	0.679	80%	0.795	S	S	*	*				176.1	100.9	124.9	-104.3	-22.8	0	0	0	113.9
14	K	32.9	Very low	35.3	Very low	175 Å²	175	147.4 Å²	147.4	76%	0.761	79%	0.788	S	S	*	*			trans	60.6	108.8	135.2	-63.7	169.7	-170	122.7	0	123.7
15	L	37.1	Very low	35.3	Very low	160 Å²	160	147.5 Å²	147.5	84%	0.838	78%	0.783	S	S	*	*	S	Bend	trans	74.2	63.1	149.1	-64.9	166.9	0	0	0	116.2
16	D	37.6	Very low	35.1	Very low	140 Å²	140	149.1 Å²	149.1	75%	0.749	78%	0.777	S	S	*	*				90.6	114.6	76.7	-87.9	10.9	0	0	0	114.1
17	E	43	Very low	35.8	Very low	189 Å²	189	147.5 Å²	147.5	88%	0.883	77%	0.767	S	S	*	*				-113.6	91.9	-97	-82.2	178.1	168.5	0	0	103.7
18	G	33.6	Very low	35.8	Very low	68 Å²	68	144.1 Å²	144.1	70%	0.701	76%	0.756	S	S	*	*			trans	-171.9	120.2	-155.9	0	0	0	0	0	109.4
19	K	35.6	Very low	36.4	Very low	188 Å²	188	142.4 Å²	142.4	82%	0.817	75%	0.746	S	S	*	*			cis	-110.2	122.1	18.7	-71.6	168.1	172.6	-178.9	0	110.3	I21	K19-I21 HydrophobicContact CB-CG1 4.21Å; K19-I21 PolarHBondContact O-N 2.85Å
20	E	28.2	Very low	37.7	Very low	186 Å²	186	141.1 Å²	141.1	87%	0.869	75%	0.745	S	S	*	*			trans	-48.3	94.9	136.6	-69.9	179.7	154.8	0	0	106.3	E22	E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 2.84Å
21	I	32.3	Very low	38.4	Very low	118 Å²	118	135 Å²	135	61%	0.605	72%	0.721	S	S	*	*			trans	-76.1	107.1	152.6	-57.3	170.5	0	0	0	100.5	K19 E25	K19-I21 HydrophobicContact CB-CG1 4.21Å; K19-I21 PolarHBondContact O-N 2.85Å; I21-E25 HydrophobicContact CG2-CB 4.09Å
22	E	31.4	Very low	39.6	Very low	155 Å²	155	132 Å²	132	72%	0.724	71%	0.712	S	S	*	*			trans	-38.8	134.2	170.8	-72.8	-173	154.6	0	0	107.1	E20 G24 E25	E20-E22 VanDerWaalsContact C-N 3.34Å; E20-E22 PolarHBondContact O-N 2.84Å; E22-G24 PolarHBondContact O-N 3.17Å; E22-E25 PolarHBondContact O-N 3.2Å; E22-E25 VanDerWaalsContact O-N 3.08Å
23	P	30.9	Very low	40.8	Very low	133 Å²	133	133.2 Å²	133.2	86%	0.864	71%	0.714	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.8	22.7	-175.5	29.9	-36.2	0	0	0	112.8
24	G	36.9	Very low	41.9	Very low	58 Å²	58	132.6 Å²	132.6	60%	0.598	71%	0.707	S	S	*	*	T	Hydrogen-bonded Turn	trans	-129.1	3.9	-175.2	0	0	0	0	0	114.3	E22 M26	E22-G24 PolarHBondContact O-N 3.17Å; G24-M26 PolarHBondContact O-N 2.97Å
25	E	41.1	Very low	43	Very low	169 Å²	169	131.6 Å²	131.6	79%	0.79	71%	0.705	S	S	*	*	S	Bend	trans	-88.6	62.7	140.4	-79.1	-171.1	174.1	0	0	107.3	I21 E22 E27	I21-E25 HydrophobicContact CG2-CB 4.09Å; E22-E25 PolarHBondContact O-N 3.2Å; E22-E25 VanDerWaalsContact O-N 3.08Å; E25-E27 PolarHBondContact O-N 2.95Å
26	M	35.8	Very low	44	Very low	121 Å²	121	127.3 Å²	127.3	60%	0.596	68%	0.683	S	S	*	*			trans	-46.9	117.2	162.7	-74.9	-152.2	-57.2	0	0	107.5	G24 D28	G24-M26 PolarHBondContact O-N 2.97Å; M26-D28 WeakPolarHBondContact CB-OD1 3.29Å; M26-D28 PolarHBondContact O-N 3.14Å
27	E	49.3	Very low	45.1	Very low	157 Å²	157	125.6 Å²	125.6	73%	0.734	67%	0.674	S	S	*	*				23.2	67.4	82.9	-120.3	-163.9	-146	0	0	110.7	E25 T29	E25-E27 PolarHBondContact O-N 2.95Å; E27-T29 WeakPolarHBondContact CA-OG1 3.45Å; E27-T29 WeakPolarHBondContact CB-OG1 3.31Å; E27-T29 HydrophobicContact CG-CG2 4.11Å; E27-T29 WeakPolarHBondContact CG-OG1 3.42Å; E27-T29 PolarHBondContact O-N 3.02Å; E27-T29 PolarHBondContact O-OG1 3.11Å; E27-T29 PolarHBondContact OE2-OG1 2.71Å; E27-T29 VanDerWaalsContact OE2-OG1 3.1Å
28	D	46	Very low	46.2	Very low	130 Å²	130	126 Å²	126	70%	0.695	67%	0.667	S	S	*	*			trans	-84	59.2	160.9	-74.8	-6.7	0	0	0	108.4	M26 D30	M26-D28 WeakPolarHBondContact CB-OD1 3.29Å; M26-D28 PolarHBondContact O-N 3.14Å; D28-D30 PolarHBondContact O-N 3.26Å
29	T	49.1	Very low	48	Very low	91 Å²	91	123.3 Å²	123.3	56%	0.558	64%	0.636	S	S	*	*			trans	-47.7	70.9	163.4	-22.3	0	0	0	0	109.8	E27	E27-T29 WeakPolarHBondContact CA-OG1 3.45Å; E27-T29 WeakPolarHBondContact CB-OG1 3.31Å; E27-T29 HydrophobicContact CG-CG2 4.11Å; E27-T29 WeakPolarHBondContact CG-OG1 3.42Å; E27-T29 PolarHBondContact O-N 3.02Å; E27-T29 PolarHBondContact O-OG1 3.11Å; E27-T29 PolarHBondContact OE2-OG1 2.71Å; E27-T29 VanDerWaalsContact OE2-OG1 3.1Å
30	D	57.9	Low	49.9	Very low	148 Å²	148	118.2 Å²	118.2	79%	0.791	62%	0.621	S	S	*	*			trans	-158.8	34.6	145.7	-155.1	7.3	0	0	0	109.6	D28 S32	D28-D30 PolarHBondContact O-N 3.26Å; D30-S32 PolarHBondContact O-N 3.49Å
31	S	47.4	Very low	52.3	Low	43 Å²	43	110 Å²	110	30%	0.301	58%	0.583	S	S	.	*			trans	-81.2	106.7	162.9	-178.9	0	0	0	0	107.1	D33 E34	S31-D33 PolarHBondContact O-N 2.9Å; S31-D33 PolarHBondContact OG-N 3.08Å; S31-E34 PolarHBondContact O-N 3.02Å
32	S	60.4	Low	54.4	Low	93 Å²	93	106.9 Å²	106.9	65%	0.65	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.7	-12.1	171	-179.1	0	0	0	0	113.6	D30	D30-S32 PolarHBondContact O-N 3.49Å
33	D	57.3	Low	56.7	Low	148 Å²	148	107.9 Å²	107.9	79%	0.791	59%	0.59	S	S	*	*	T	Hydrogen-bonded Turn	trans	-98.7	-11.1	-177.7	-55.5	-10.7	0	0	0	112.6	S31	S31-D33 PolarHBondContact O-N 2.9Å; S31-D33 PolarHBondContact OG-N 3.08Å
34	E	56.9	Low	59	Low	115 Å²	115	104.4 Å²	104.4	54%	0.537	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-101.8	-6.3	-176.2	-68.8	-168.2	174.6	0	0	114.5	S31 D36 L37	S31-E34 PolarHBondContact O-N 3.02Å; E34-D36 PolarHBondContact O-N 2.78Å; E34-L37 HydrophobicContact CB-CD1 4.21Å; E34-L37 HydrophobicContact CG-CD1 4.44Å; E34-L37 PolarHBondContact O-N 3.12Å
35	E	55.9	Low	61	Low	153 Å²	153	104.7 Å²	104.7	72%	0.715	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-58.6	-26.2	-173	-69.2	-170.1	155.1	0	0	113.9
36	D	58.2	Low	62.8	Low	71 Å²	71	99.8 Å²	99.8	38%	0.38	53%	0.534	S	S	.	.	T	Hydrogen-bonded Turn	trans	-127	47.8	-176.9	-82.7	-47.8	0	0	0	114.3	E34 R38 N39 Q93	E34-D36 PolarHBondContact O-N 2.78Å; D36-R38 PolarHBondContact O-N 2.65Å; D36-R38 VanDerWaalsContact O-N 3.07Å; D36-N39 PolarHBondContact O-N 3.13Å; D36-Q93 PolarHBondContact OD1-OE1 3.35Å; D36-Q93 PolarHBondContact OD2-NE2 3.17Å; D36-Q93 PolarHBondContact OD2-OE1 2.87Å
37	L	59.1	Low	65.1	Low	104 Å²	104	99.4 Å²	99.4	55%	0.545	53%	0.53	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-11.9	170.2	-72.8	166.1	0	0	0	113.9	E34	E34-L37 HydrophobicContact CB-CD1 4.21Å; E34-L37 HydrophobicContact CG-CD1 4.44Å; E34-L37 PolarHBondContact O-N 3.12Å
38	R	66.1	Low	66.7	Low	197 Å²	197	99.5 Å²	99.5	74%	0.743	52%	0.524	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	-32.5	-178.4	-63.6	-176.4	-167.6	-164	3.8	112.8	D36 I64	D36-R38 PolarHBondContact O-N 2.65Å; D36-R38 VanDerWaalsContact O-N 3.07Å; R38-I64 WeakPolarHBondContact O-CD1 3.3Å
39	N	72.7	Confident	68.5	Low	11 Å²	11	95.3 Å²	95.3	6%	0.059	50%	0.499	C	S	.	.			trans	-131.4	115.4	-177.3	-165.7	-4.5	0	0	0	111.4	D36 I41 I55 I64	D36-N39 PolarHBondContact O-N 3.13Å; N39-I41 VanDerWaalsContact ND2-CD1 3.35Å; N39-I41 WeakPolarHBondContact ND2-CD1 3.41Å; N39-I41 PolarHBondContact O-N 3.12Å; N39-I41 VanDerWaalsContact OD1-CG2 3.3Å; N39-I41 WeakPolarHBondContact OD1-CG2 3.36Å; N39-I55 PolarHBondContact ND2-O 3.01Å; N39-I64 HydrophobicContact CB-CD1 3.84Å
40	T	75.6	Confident	69.9	Low	81 Å²	81	96.4 Å²	96.4	50%	0.497	50%	0.501	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	17.9	-173.8	67.8	0	0	0	0	114.1	G42 Y57	T40-G42 VanDerWaalsContact C-N 3.35Å; T40-Y57 PolarHBondContact N-O 2.81Å; T40-Y57 PolarHBondContact OG1-O 3.38Å
41	I	78.1	Confident	71.2	Confident	13 Å²	13	94.3 Å²	94.3	7%	0.067	50%	0.498	C	S	.	.	T	Hydrogen-bonded Turn	trans	-74.5	-21.6	-176	57.6	174	0	0	0	113.5	N39 I44 Y49 I55 G56	N39-I41 VanDerWaalsContact ND2-CD1 3.35Å; N39-I41 WeakPolarHBondContact ND2-CD1 3.41Å; N39-I41 PolarHBondContact O-N 3.12Å; N39-I41 VanDerWaalsContact OD1-CG2 3.3Å; N39-I41 WeakPolarHBondContact OD1-CG2 3.36Å; I41-I44 HydrophobicContact CB-CD1 4.49Å; I41-I44 WeakPolarHBondContact O-CD1 3.47Å; I41-I44 WeakPolarHBondContact O-CG1 3.28Å; I41-Y49 HydrophobicContact CG2-CE2 3.75Å; I41-Y49 WeakPolarHBondContact CG2-OH 3.44Å; I41-I55 HydrophobicContact CD1-CG2 4.18Å; I41-G56 VanDerWaalsContact CG2-CA 3.46Å
42	G	76.4	Confident	72.9	Confident	53 Å²	53	98.5 Å²	98.5	55%	0.546	51%	0.509	S	S	.	.			trans	56	-151	-173.8	0	0	0	0	0	112.7	T40 I44	T40-G42 VanDerWaalsContact C-N 3.35Å; G42-I44 VanDerWaalsContact C-N 3.32Å; G42-I44 PolarHBondContact O-N 2.88Å
43	N	78.8	Confident	74.1	Confident	176 Å²	176	99.6 Å²	99.6	94%	0.941	51%	0.507	S	S	*	.	S	Bend	trans	-86.6	63.8	-175.5	-166.5	7.8	0	0	0	112.8
44	I	79	Confident	75.4	Confident	60 Å²	60	93 Å²	93	31%	0.308	47%	0.471	S	S	.	.			trans	-106.1	143.7	177.8	-59.5	170.4	0	0	0	110	I41 G42 I46 W48	I41-I44 HydrophobicContact CB-CD1 4.49Å; I41-I44 WeakPolarHBondContact O-CD1 3.47Å; I41-I44 WeakPolarHBondContact O-CG1 3.28Å; G42-I44 VanDerWaalsContact C-N 3.32Å; G42-I44 PolarHBondContact O-N 2.88Å; I44-I46 PolarHBondContact O-N 3.34Å; I44-I46 VanDerWaalsContact O-N 3.11Å; I44-W48 HydrophobicContact CG2-CD2 3.86Å; I44-W48 HydrophobicContact CG2-CE3 3.14Å; I44-W48 HydrophobicContact CG2-CH2 4.16Å; I44-W48 HydrophobicContact CG2-CZ3 3.33Å
45	P	80.1	Confident	76.6	Confident	65 Å²	65	88.3 Å²	88.3	42%	0.422	45%	0.45	S	S	.	.			trans	-58.3	113.6	173.5	-26.9	37	0	0	0	113.3	H47 W48	P45-H47 WeakPolarHBondContact CB-CE1 3.35Å; P45-H47 WeakPolarHBondContact CB-ND1 3.47Å; P45-H47 PolarHBondContact O-N 3.03Å; P45-H47 PolarHBondContact O-ND1 3.04Å; P45-W48 HydrophobicContact CG-CZ2 4.45Å; P45-W48 WeakPolarHBondContact O-CB 3.41Å; P45-W48 PolarHBondContact O-N 3.01Å
46	I	77.9	Confident	77.9	Confident	65 Å²	65	81 Å²	81	33%	0.333	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-54.7	-30.5	-175.6	-66.3	155.7	0	0	0	113.1	I44 W48 Y49 R92	I44-I46 PolarHBondContact O-N 3.34Å; I44-I46 VanDerWaalsContact O-N 3.11Å; I46-W48 PolarHBondContact O-N 3.05Å; I46-Y49 PolarHBondContact O-N 3.09Å; I46-R92 HydrophobicContact CD1-CB 3.83Å; I46-R92 VanDerWaalsContact CD1-O 3.23Å; I46-R92 WeakPolarHBondContact CD1-O 3.32Å
47	H	84	Confident	79.1	Confident	113 Å²	113	81.9 Å²	81.9	52%	0.523	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-57.9	-16	178	71.4	-4.5	0	0	0	114.3	P45 Y49 D50	P45-H47 WeakPolarHBondContact CB-CE1 3.35Å; P45-H47 WeakPolarHBondContact CB-ND1 3.47Å; P45-H47 PolarHBondContact O-N 3.03Å; P45-H47 PolarHBondContact O-ND1 3.04Å; H47-Y49 PolarHBondContact O-N 3.04Å; H47-D50 WeakPolarHBondContact CA-OD2 3.46Å; H47-D50 WeakPolarHBondContact CB-OD2 3.3Å; H47-D50 WeakPolarHBondContact O-CB 3.49Å; H47-D50 PolarHBondContact O-N 2.65Å
48	W	82.9	Confident	80.1	Confident	160 Å²	160	78.8 Å²	78.8	61%	0.606	40%	0.398	S	S	*	.	G	3₁₀ helix	trans	-67.2	-24.2	174.3	-71.1	-4.5	0	0	0	112.2	I44 P45 I46	I44-W48 HydrophobicContact CG2-CD2 3.86Å; I44-W48 HydrophobicContact CG2-CE3 3.14Å; I44-W48 HydrophobicContact CG2-CH2 4.16Å; I44-W48 HydrophobicContact CG2-CZ3 3.33Å; P45-W48 HydrophobicContact CG-CZ2 4.45Å; P45-W48 WeakPolarHBondContact O-CB 3.41Å; P45-W48 PolarHBondContact O-N 3.01Å; I46-W48 PolarHBondContact O-N 3.05Å
49	Y	84	Confident	80.7	Confident	42 Å²	42	76 Å²	76	17%	0.165	40%	0.397	C	S	.	.	G	3₁₀ helix	trans	-87.8	-7.7	175.6	-68.1	-78.5	0	0	0	112.9	I41 I46 H47 S51 Y52 H54 G56 K66	I41-Y49 HydrophobicContact CG2-CE2 3.75Å; I41-Y49 WeakPolarHBondContact CG2-OH 3.44Å; I46-Y49 PolarHBondContact O-N 3.09Å; H47-Y49 PolarHBondContact O-N 3.04Å; Y49-S51 PolarHBondContact O-N 3Å; Y49-S51 VanDerWaalsContact O-N 3.08Å; Y49-Y52 PolarHBondContact O-N 3.33Å; Y49-H54 WeakPolarHBondContact CD1-O 3.19Å; Y49-G56 VanDerWaalsContact CE1-N 3.34Å; Y49-K66 WeakPolarHBondContact O-CE 3.23Å; Y49-K66 PolarHBondContact O-NZ 3.02Å
50	D	79.8	Confident	81	Confident	114 Å²	114	85 Å²	85	61%	0.61	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-36.9	-174.1	-72.4	-10.4	0	0	0	113.5	H47 K66	H47-D50 WeakPolarHBondContact CA-OD2 3.46Å; H47-D50 WeakPolarHBondContact CB-OD2 3.3Å; H47-D50 WeakPolarHBondContact O-CB 3.49Å; H47-D50 PolarHBondContact O-N 2.65Å; D50-K66 PolarHBondContact O-NZ 2.99Å
51	S	84.4	Confident	81.1	Confident	104 Å²	104	83.7 Å²	83.7	73%	0.727	43%	0.433	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-8.5	178.6	61.3	0	0	0	0	115.4	Y49	Y49-S51 PolarHBondContact O-N 3Å; Y49-S51 VanDerWaalsContact O-N 3.08Å
52	Y	83.2	Confident	81.4	Confident	131 Å²	131	90.8 Å²	90.8	51%	0.514	46%	0.459	S	S	.	.	S	Bend	trans	-105.7	157.3	-176.8	-61.7	-83.9	0	0	0	112.2	Y49 H54 K66	Y49-Y52 PolarHBondContact O-N 3.33Å; Y52-H54 VanDerWaalsContact C-N 3.28Å; Y52-H54 PolarHBondContact O-N 3.09Å; Y52-K66 WeakPolarHBondContact O-CD 3.42Å; Y52-K66 WeakPolarHBondContact O-CE 3.47Å; Y52-K66 PolarHBondContact O-NZ 3.41Å
53	D	84.7	Confident	81.8	Confident	115 Å²	115	93.8 Å²	93.8	62%	0.615	46%	0.457	S	S	*	.	S	Bend	trans	-78.3	-5.6	176.6	56	-9.5	0	0	0	114.1	K66	D53-K66 PolarHBondContact O-N 3.22Å; D53-K66 VanDerWaalsContact O-N 3.11Å
54	H	85.8	Confident	82	Confident	9 Å²	9	87.4 Å²	87.4	4%	0.042	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.9	156.3	-176	62.8	-76	0	0	0	111.4	Y49 Y52 G56 Y57 K63 I64	Y49-H54 WeakPolarHBondContact CD1-O 3.19Å; Y52-H54 VanDerWaalsContact C-N 3.28Å; Y52-H54 PolarHBondContact O-N 3.09Å; H54-G56 PolarHBondContact CD2-O 2.91Å; H54-Y57 AromaticContact NE2-CE2 3.74Å; H54-Y57 AromaticContact NE2-CZ 3.54Å; H54-Y57 PolarHBondContact NE2-OH 3.44Å; H54-K63 HydrophobicContact CB-CB 3.88Å; H54-K63 HydrophobicContact CB-CG 4.46Å; H54-I64 CarbonylContact C-O 3.5Å; H54-I64 WeakPolarHBondContact CA-O 3.33Å; H54-I64 WeakPolarHBondContact CB-O 3.13Å
55	I	82.5	Confident	82.2	Confident	17 Å²	17	89.3 Å²	89.3	9%	0.087	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	96.3	171.3	-64.1	162.2	0	0	0	107.6	N39 I41 I64 K66	N39-I55 PolarHBondContact ND2-O 3.01Å; I41-I55 HydrophobicContact CD1-CG2 4.18Å; I55-I64 PolarHBondContact N-O 3.01Å; I55-I64 WeakPolarHBondContact O-CB 3.28Å; I55-K66 HydrophobicContact CD1-CD 4.45Å; I55-K66 HydrophobicContact CD1-CG 3.67Å; I55-K66 HydrophobicContact CG1-CD 4.17Å; I55-K66 HydrophobicContact CG1-CG 3.51Å
56	G	82.4	Confident	82.1	Confident	0 Å²	0	89.2 Å²	89.2	0%	0	43%	0.432	C	S	.	.	E	Extended strand (participates in β ladder)	trans	71.7	-169.1	178	0	0	0	0	0	115.1	I41 Y49 H54 I64	I41-G56 VanDerWaalsContact CG2-CA 3.46Å; Y49-G56 VanDerWaalsContact CE1-N 3.34Å; H54-G56 PolarHBondContact CD2-O 2.91Å; G56-I64 PolarHBondContact O-N 2.92Å
57	Y	83.6	Confident	82	Confident	90 Å²	90	88.7 Å²	88.7	35%	0.353	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	150.3	-177.3	-67.5	-90.2	0	0	0	109.4	T40 H54 G61 R62 K63	T40-Y57 PolarHBondContact N-O 2.81Å; T40-Y57 PolarHBondContact OG1-O 3.38Å; H54-Y57 AromaticContact NE2-CE2 3.74Å; H54-Y57 AromaticContact NE2-CZ 3.54Å; H54-Y57 PolarHBondContact NE2-OH 3.44Å; Y57-G61 WeakPolarHBondContact CD1-O 3.34Å; Y57-R62 CarbonylContact C-O 3.42Å; Y57-R62 VanDerWaalsContact CA-O 3.31Å; Y57-R62 WeakPolarHBondContact CA-O 3.35Å; Y57-K63 HydrophobicContact CD1-CG 3.98Å; Y57-K63 HydrophobicContact CE1-CB 4.38Å; Y57-K63 HydrophobicContact CE1-CD 4.43Å; Y57-K63 HydrophobicContact CE1-CG 3.37Å
58	D	79.6	Confident	81.6	Confident	38 Å²	38	89.2 Å²	89.2	20%	0.203	45%	0.446	C	S	.	.			trans	-74.2	169.3	169.8	75.6	6.2	0	0	0	110.8	R60 G61 R62	D58-R60 PolarHBondContact O-N 3.14Å; D58-R60 WeakPolarHBondContact OD1-CA 3.48Å; D58-R60 WeakPolarHBondContact OD1-CB 3.43Å; D58-R60 PolarHBondContact OD1-N 3.09Å; D58-G61 PolarHBondContact O-N 3.35Å; D58-G61 PolarHBondContact OD1-N 2.78Å; D58-R62 PolarHBondContact N-O 3.17Å; D58-R62 PolarHBondContact OD1-N 3.41Å; D58-R62 VanDerWaalsContact OD2-CB 3.26Å; D58-R62 WeakPolarHBondContact OD2-CB 3.47Å; D58-R62 WeakPolarHBondContact OD2-CD 3.26Å; D58-R62 WeakPolarHBondContact OD2-CG 3.34Å
59	L	78.2	Confident	81.1	Confident	138 Å²	138	85.9 Å²	85.9	72%	0.723	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.5	-22.1	175	-163.4	87.2	0	0	0	113.1
60	R	80.5	Confident	80.3	Confident	201 Å²	201	87.4 Å²	87.4	76%	0.758	47%	0.467	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.2	4.6	-179.9	-58.8	-176.7	178.1	-169.2	1	112.7	D58 R62	D58-R60 PolarHBondContact O-N 3.14Å; D58-R60 WeakPolarHBondContact OD1-CA 3.48Å; D58-R60 WeakPolarHBondContact OD1-CB 3.43Å; D58-R60 PolarHBondContact OD1-N 3.09Å; R60-R62 HydrophobicContact CB-CG 4.5Å
61	G	78.2	Confident	80.1	Confident	53 Å²	53	87.4 Å²	87.4	55%	0.546	47%	0.467	S	S	.	.	S	Bend	trans	76	13.4	-179.1	0	0	0	0	0	115.9	Y57 D58	Y57-G61 WeakPolarHBondContact CD1-O 3.34Å; D58-G61 PolarHBondContact O-N 3.35Å; D58-G61 PolarHBondContact OD1-N 2.78Å
62	R	83.7	Confident	80	Confident	162 Å²	162	90.9 Å²	90.9	61%	0.611	47%	0.472	S	S	*	.			trans	-80.2	139.9	172.5	-49.1	178.6	173.7	-179.2	-4.5	109.8	Y57 D58 R60	Y57-R62 CarbonylContact C-O 3.42Å; Y57-R62 VanDerWaalsContact CA-O 3.31Å; Y57-R62 WeakPolarHBondContact CA-O 3.35Å; D58-R62 PolarHBondContact N-O 3.17Å; D58-R62 PolarHBondContact OD1-N 3.41Å; D58-R62 VanDerWaalsContact OD2-CB 3.26Å; D58-R62 WeakPolarHBondContact OD2-CB 3.47Å; D58-R62 WeakPolarHBondContact OD2-CD 3.26Å; D58-R62 WeakPolarHBondContact OD2-CG 3.34Å; R60-R62 HydrophobicContact CB-CG 4.5Å
63	K	85.1	Confident	80	Confident	117 Å²	117	90.4 Å²	90.4	51%	0.509	48%	0.477	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.2	130.5	176	-68.7	178.3	176.9	-173.8	0	110.1	H54 Y57 P65	H54-K63 HydrophobicContact CB-CB 3.88Å; H54-K63 HydrophobicContact CB-CG 4.46Å; Y57-K63 HydrophobicContact CD1-CG 3.98Å; Y57-K63 HydrophobicContact CE1-CB 4.38Å; Y57-K63 HydrophobicContact CE1-CD 4.43Å; Y57-K63 HydrophobicContact CE1-CG 3.37Å; K63-P65 WeakPolarHBondContact O-CD 3.49Å
64	I	82.2	Confident	79.8	Confident	41 Å²	41	90.5 Å²	90.5	21%	0.21	47%	0.474	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	108.2	174.6	-58.3	165.2	0	0	0	108	R38 N39 H54 I55 G56	R38-I64 WeakPolarHBondContact O-CD1 3.3Å; N39-I64 HydrophobicContact CB-CD1 3.84Å; H54-I64 CarbonylContact C-O 3.5Å; H54-I64 WeakPolarHBondContact CA-O 3.33Å; H54-I64 WeakPolarHBondContact CB-O 3.13Å; I55-I64 PolarHBondContact N-O 3.01Å; I55-I64 WeakPolarHBondContact O-CB 3.28Å; G56-I64 PolarHBondContact O-N 2.92Å
65	P	83.6	Confident	79.5	Confident	100 Å²	100	95 Å²	95	65%	0.649	50%	0.495	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.7	142.2	-175.1	27.8	-34.1	0	0	0	111.1	K63	K63-P65 WeakPolarHBondContact O-CD 3.49Å
66	K	78.5	Confident	79.5	Confident	64 Å²	64	100.2 Å²	100.2	28%	0.278	52%	0.517	S	S	.	.	P	Polyproline II helix	trans	-64.8	133.9	171	-80.3	179.1	178.1	177.4	0	110.5	Y49 D50 Y52 D53 I55	Y49-K66 WeakPolarHBondContact O-CE 3.23Å; Y49-K66 PolarHBondContact O-NZ 3.02Å; D50-K66 PolarHBondContact O-NZ 2.99Å; Y52-K66 WeakPolarHBondContact O-CD 3.42Å; Y52-K66 WeakPolarHBondContact O-CE 3.47Å; Y52-K66 PolarHBondContact O-NZ 3.41Å; D53-K66 PolarHBondContact O-N 3.22Å; D53-K66 VanDerWaalsContact O-N 3.11Å; I55-K66 HydrophobicContact CD1-CD 4.45Å; I55-K66 HydrophobicContact CD1-CG 3.67Å; I55-K66 HydrophobicContact CG1-CD 4.17Å; I55-K66 HydrophobicContact CG1-CG 3.51Å
67	P	75.1	Confident	79.4	Confident	54 Å²	54	103.9 Å²	103.9	35%	0.351	54%	0.536	S	S	.	.	P	Polyproline II helix	trans	-62.6	147.2	167.2	27.3	-32.2	0	0	0	109.5	A69 G95	P67-A69 PolarHBondContact O-N 3.25Å; P67-G95 WeakPolarHBondContact CG-O 3.41Å
68	P	76.5	Confident	79.2	Confident	124 Å²	124	100.9 Å²	100.9	81%	0.805	53%	0.529	S	S	*	.	P	Polyproline II helix	trans	-58.8	132.7	174.4	24.8	-32.3	0	0	0	109.3
69	A	70.7	Confident	79.3	Confident	89 Å²	89	105.5 Å²	105.5	74%	0.736	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-67.2	127	174.9	0	0	0	0	0	108.8	P67	P67-A69 PolarHBondContact O-N 3.25Å
70	P	67.3	Low	79.6	Confident	74 Å²	74	105.7 Å²	105.7	48%	0.481	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-64.8	143.2	175.2	26.7	-32.5	0	0	0	109.9	E74	P70-E74 WeakPolarHBondContact CA-OE2 3.4Å; P70-E74 HydrophobicContact CB-CB 4.24Å
71	D	77	Confident	79.6	Confident	115 Å²	115	102.8 Å²	102.8	62%	0.615	54%	0.541	S	S	*	.	P	Polyproline II helix	trans	-65.7	151.1	173.9	-78.9	-21.7	0	0	0	109.9	I73 E74 E75	D71-I73 PolarHBondContact O-N 2.8Å; D71-E74 HydrophobicContact CB-CG 4.39Å; D71-E74 PolarHBondContact N-OE2 3.36Å; D71-E74 WeakPolarHBondContact O-CA 2.96Å; D71-E74 WeakPolarHBondContact O-CB 3.39Å; D71-E74 PolarHBondContact O-N 3.2Å; D71-E75 PolarHBondContact O-N 3.36Å
72	E	80.9	Confident	79.6	Confident	176 Å²	176	104.6 Å²	104.6	82%	0.822	54%	0.538	S	S	*	.	H	α-helix	trans	-54.7	-27.5	178.8	-67.2	-176.3	168.6	0	0	112.6	F76	E72-F76 WeakPolarHBondContact O-CB 3.12Å; E72-F76 PolarHBondContact O-N 3.34Å; E72-F76 VanDerWaalsContact O-N 3.1Å
73	I	83.4	Confident	79.6	Confident	122 Å²	122	102 Å²	102	63%	0.626	54%	0.542	S	S	*	.	H	α-helix	trans	-72.8	-40.9	175.9	-59.3	172.4	0	0	0	111	D71 F76 L77	D71-I73 PolarHBondContact O-N 2.8Å; I73-F76 PolarHBondContact O-N 3Å; I73-L77 HydrophobicContact CG2-CD1 4.02Å; I73-L77 HydrophobicContact CG2-CG 4.4Å; I73-L77 WeakPolarHBondContact O-CB 3.49Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 2.76Å
74	E	80	Confident	79.5	Confident	116 Å²	116	100 Å²	100	54%	0.542	54%	0.537	S	S	.	.	H	α-helix	trans	-66.5	-39.9	177.1	-70.3	-176.3	155.5	0	0	111.1	P70 D71 F76 L77 S78	P70-E74 WeakPolarHBondContact CA-OE2 3.4Å; P70-E74 HydrophobicContact CB-CB 4.24Å; D71-E74 HydrophobicContact CB-CG 4.39Å; D71-E74 PolarHBondContact N-OE2 3.36Å; D71-E74 WeakPolarHBondContact O-CA 2.96Å; D71-E74 WeakPolarHBondContact O-CB 3.39Å; D71-E74 PolarHBondContact O-N 3.2Å; E74-F76 VanDerWaalsContact C-N 3.34Å; E74-F76 PolarHBondContact O-N 2.91Å; E74-L77 PolarHBondContact O-N 3.04Å; E74-S78 WeakPolarHBondContact O-CB 3.26Å; E74-S78 PolarHBondContact O-N 2.91Å; E74-S78 PolarHBondContact O-OG 2.96Å
75	E	79.6	Confident	79.5	Confident	105 Å²	105	101.2 Å²	101.2	49%	0.491	54%	0.539	S	S	.	.	H	α-helix	trans	-62.3	-42.9	173.5	-167.5	178.8	-179.5	0	0	111	D71 S78 K79	D71-E75 PolarHBondContact O-N 3.36Å; E75-S78 PolarHBondContact O-N 3.19Å; E75-S78 PolarHBondContact O-OG 2.83Å; E75-K79 PolarHBondContact O-N 2.89Å; E75-K79 VanDerWaalsContact O-N 3.17Å
76	F	82.5	Confident	79.4	Confident	126 Å²	126	103.9 Å²	103.9	55%	0.553	54%	0.537	S	S	*	.	H	α-helix	trans	-64.2	-41	175.9	-175.2	-97.5	0	0	0	113	E72 I73 E74 K79 M80	E72-F76 WeakPolarHBondContact O-CB 3.12Å; E72-F76 PolarHBondContact O-N 3.34Å; E72-F76 VanDerWaalsContact O-N 3.1Å; I73-F76 PolarHBondContact O-N 3Å; E74-F76 VanDerWaalsContact C-N 3.34Å; E74-F76 PolarHBondContact O-N 2.91Å; F76-K79 PolarHBondContact O-N 2.87Å; F76-M80 HydrophobicContact CE1-CE 4.46Å; F76-M80 HydrophobicContact CE1-CG 4.19Å; F76-M80 HydrophobicContact CZ-CE 4.09Å; F76-M80 HydrophobicContact CZ-CG 4.22Å; F76-M80 PolarHBondContact O-N 2.87Å
77	L	82	Confident	79.7	Confident	76 Å²	76	102 Å²	102	40%	0.398	53%	0.528	S	S	.	.	H	α-helix	trans	-65.9	-45.1	176.8	-73.5	170.6	0	0	0	111.4	I73 E74 K79 M80 E81	I73-L77 HydrophobicContact CG2-CD1 4.02Å; I73-L77 HydrophobicContact CG2-CG 4.4Å; I73-L77 WeakPolarHBondContact O-CB 3.49Å; I73-L77 VanDerWaalsContact O-CG 3.3Å; I73-L77 WeakPolarHBondContact O-CG 3.45Å; I73-L77 PolarHBondContact O-N 2.76Å; E74-L77 PolarHBondContact O-N 3.04Å; L77-K79 PolarHBondContact O-N 3.48Å; L77-M80 PolarHBondContact O-N 3.42Å; L77-E81 WeakPolarHBondContact O-CB 3.36Å; L77-E81 PolarHBondContact O-N 2.78Å
78	S	79.3	Confident	80.1	Confident	28 Å²	28	101.4 Å²	101.4	20%	0.196	52%	0.523	C	S	.	.	H	α-helix	trans	-58.1	-35	176.8	71.6	0	0	0	0	112.2	E74 E75 M80 D82 Y85	E74-S78 WeakPolarHBondContact O-CB 3.26Å; E74-S78 PolarHBondContact O-N 2.91Å; E74-S78 PolarHBondContact O-OG 2.96Å; E75-S78 PolarHBondContact O-N 3.19Å; E75-S78 PolarHBondContact O-OG 2.83Å; S78-M80 PolarHBondContact O-N 2.83Å; S78-D82 VanDerWaalsContact O-CB 3.27Å; S78-D82 WeakPolarHBondContact O-CB 3.38Å; S78-D82 PolarHBondContact O-N 3.2Å; S78-Y85 WeakPolarHBondContact O-CD2 3.44Å
79	K	81.8	Confident	80.3	Confident	135 Å²	135	99.3 Å²	99.3	59%	0.587	51%	0.508	S	S	*	.	H	α-helix	trans	-71.7	-28.4	178.2	-170.2	172.1	-177.7	177.2	0	114.1	E75 F76 L77 Y85	E75-K79 PolarHBondContact O-N 2.89Å; E75-K79 VanDerWaalsContact O-N 3.17Å; F76-K79 PolarHBondContact O-N 2.87Å; L77-K79 PolarHBondContact O-N 3.48Å; K79-Y85 HydrophobicContact CB-CD2 4.28Å; K79-Y85 HydrophobicContact CB-CE1 4.29Å; K79-Y85 HydrophobicContact CB-CE2 3.92Å; K79-Y85 HydrophobicContact CD-CE1 4.31Å; K79-Y85 HydrophobicContact CG-CD1 4.17Å; K79-Y85 HydrophobicContact CG-CE1 3.81Å; K79-Y85 HydrophobicContact CG-CE2 4.36Å
80	M	82.8	Confident	80.8	Confident	142 Å²	142	101 Å²	101	70%	0.7	50%	0.499	S	S	*	.	H	α-helix	trans	-94.8	-36.9	-177.7	-72.2	-77	-109.9	0	0	112.6	F76 L77 S78	F76-M80 HydrophobicContact CE1-CE 4.46Å; F76-M80 HydrophobicContact CE1-CG 4.19Å; F76-M80 HydrophobicContact CZ-CE 4.09Å; F76-M80 HydrophobicContact CZ-CG 4.22Å; F76-M80 PolarHBondContact O-N 2.87Å; L77-M80 PolarHBondContact O-N 3.42Å; S78-M80 PolarHBondContact O-N 2.83Å
81	E	81.5	Confident	81.3	Confident	140 Å²	140	99.8 Å²	99.8	65%	0.654	49%	0.489	S	S	*	.	H	α-helix	trans	-97.5	-32.4	-171.1	-65.1	-173	164.7	0	0	113.4	L77 P83	L77-E81 WeakPolarHBondContact O-CB 3.36Å; L77-E81 PolarHBondContact O-N 2.78Å; E81-P83 WeakPolarHBondContact O-CD 3.45Å
82	D	79.1	Confident	81	Confident	90 Å²	90	103 Å²	103	48%	0.481	49%	0.492	S	S	.	.			trans	-80.2	113.6	-176.3	-69.4	-35.7	0	0	0	112.1	S78 N84 Y85	S78-D82 VanDerWaalsContact O-CB 3.27Å; S78-D82 WeakPolarHBondContact O-CB 3.38Å; S78-D82 PolarHBondContact O-N 3.2Å; D82-N84 PolarHBondContact O-N 2.8Å; D82-N84 VanDerWaalsContact O-N 3.11Å; D82-Y85 WeakPolarHBondContact O-CB 3.5Å; D82-Y85 PolarHBondContact O-N 2.91Å
83	P	82.2	Confident	80.5	Confident	107 Å²	107	97.4 Å²	97.4	70%	0.695	47%	0.466	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-18.6	176.1	-17.9	33.1	0	0	0	112.7	E81 W86	E81-P83 WeakPolarHBondContact O-CD 3.45Å; P83-W86 PolarHBondContact O-NE1 2.73Å; P83-W86 VanDerWaalsContact O-NE1 3.1Å
84	N	82.9	Confident	79.9	Confident	75 Å²	75	95.1 Å²	95.1	40%	0.401	46%	0.455	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.4	3.2	178.7	-71.1	-34.9	0	0	0	113.2	D82 W86 K87 T88 V99	D82-N84 PolarHBondContact O-N 2.8Å; D82-N84 VanDerWaalsContact O-N 3.11Å; N84-W86 PolarHBondContact O-N 2.82Å; N84-K87 WeakPolarHBondContact O-CA 3.37Å; N84-K87 WeakPolarHBondContact O-CB 3.29Å; N84-K87 PolarHBondContact O-N 2.93Å; N84-K87 PolarHBondContact OD1-NZ 3.21Å; N84-K87 VanDerWaalsContact OD1-NZ 3.16Å; N84-T88 PolarHBondContact O-N 3.13Å; N84-V99 HydrophobicContact CB-CG1 4.23Å
85	Y	82.8	Confident	79.5	Confident	67 Å²	67	90.9 Å²	90.9	26%	0.263	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-55.5	-36.5	179.8	-172.2	-90.4	0	0	0	112.3	S78 K79 D82 K87 T88	S78-Y85 WeakPolarHBondContact O-CD2 3.44Å; K79-Y85 HydrophobicContact CB-CD2 4.28Å; K79-Y85 HydrophobicContact CB-CE1 4.29Å; K79-Y85 HydrophobicContact CB-CE2 3.92Å; K79-Y85 HydrophobicContact CD-CE1 4.31Å; K79-Y85 HydrophobicContact CG-CD1 4.17Å; K79-Y85 HydrophobicContact CG-CE1 3.81Å; K79-Y85 HydrophobicContact CG-CE2 4.36Å; D82-Y85 WeakPolarHBondContact O-CB 3.5Å; D82-Y85 PolarHBondContact O-N 2.91Å; Y85-K87 PolarHBondContact O-N 2.91Å; Y85-T88 WeakPolarHBondContact O-CB 3.31Å; Y85-T88 PolarHBondContact O-N 2.73Å; Y85-T88 PolarHBondContact O-OG1 2.81Å
86	W	81.7	Confident	79.5	Confident	157 Å²	157	92.5 Å²	92.5	60%	0.595	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-67	-15.7	176.6	70.4	-86	0	0	0	114.5	P83 N84 V105	P83-W86 PolarHBondContact O-NE1 2.73Å; P83-W86 VanDerWaalsContact O-NE1 3.1Å; N84-W86 PolarHBondContact O-N 2.82Å; W86-V105 HydrophobicContact CH2-CG1 3.93Å; W86-V105 HydrophobicContact CZ3-CG1 4.04Å
87	K	83.7	Confident	79.4	Confident	25 Å²	25	90.1 Å²	90.1	11%	0.109	44%	0.441	C	S	.	.	G	3₁₀ helix	trans	-94	-2.6	173.9	-56.2	178.3	-171.7	165.4	0	112.4	N84 Y85 V99 L100 D102 V105	N84-K87 WeakPolarHBondContact O-CA 3.37Å; N84-K87 WeakPolarHBondContact O-CB 3.29Å; N84-K87 PolarHBondContact O-N 2.93Å; N84-K87 PolarHBondContact OD1-NZ 3.21Å; N84-K87 VanDerWaalsContact OD1-NZ 3.16Å; Y85-K87 PolarHBondContact O-N 2.91Å; K87-V99 HydrophobicContact CB-CG1 4.02Å; K87-L100 HydrophobicContact CB-CB 4.46Å; K87-L100 WeakPolarHBondContact O-CB 3.38Å; K87-L100 WeakPolarHBondContact O-CG 3.45Å; K87-L100 PolarHBondContact O-N 2.91Å; K87-D102 VanDerWaalsContact CE-OD1 3.27Å; K87-D102 WeakPolarHBondContact CE-OD1 3.42Å; K87-D102 IonicContact NZ-OD1 2.95Å; K87-D102 PolarHBondContact NZ-OD1 3Å; K87-D102 IonicContact NZ-OD2 2.93Å; K87-V105 HydrophobicContact CD-CG2 4.42Å; K87-V105 HydrophobicContact CG-CG2 4.37Å
88	T	84.1	Confident	79.4	Confident	40 Å²	40	89.7 Å²	89.7	25%	0.245	44%	0.441	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	135.5	-178.5	63.1	0	0	0	0	111.9	N84 Y85 V98 V99	N84-T88 PolarHBondContact O-N 3.13Å; Y85-T88 WeakPolarHBondContact O-CB 3.31Å; Y85-T88 PolarHBondContact O-N 2.73Å; Y85-T88 PolarHBondContact O-OG1 2.81Å; T88-V98 CarbonylContact C-O 3.54Å; T88-V98 WeakPolarHBondContact CA-O 3.5Å; T88-V99 HydrophobicContact CG2-CG2 3.74Å
89	V	81.6	Confident	79.6	Confident	80 Å²	80	92 Å²	92	49%	0.485	45%	0.453	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.9	133.9	175.3	-179.8	0	0	0	0	108.6	D91 V98 L100	V89-D91 PolarHBondContact O-N 3.2Å; V89-V98 PolarHBondContact N-O 3.33Å; V89-V98 PolarHBondContact O-N 2.76Å; V89-L100 HydrophobicContact CG2-CD1 3.93Å; V89-L100 HydrophobicContact CG2-CG 4.12Å
90	F	81.2	Confident	79.7	Confident	125 Å²	125	88.2 Å²	88.2	55%	0.548	44%	0.439	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.3	113.7	177.2	-178.4	-96.4	0	0	0	110.3	R92 N97	F90-R92 HydrophobicContact CD1-CG 4.18Å; F90-R92 HydrophobicContact CE1-CG 4.2Å; F90-R92 PolarHBondContact O-N 2.79Å; F90-N97 WeakPolarHBondContact CD2-OD1 3.33Å
91	D	76.5	Confident	80	Confident	48 Å²	48	85.2 Å²	85.2	26%	0.257	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	115.9	171.9	-178.3	0.7	0	0	0	110	V89 Q93 L94 G95 K96 V98	V89-D91 PolarHBondContact O-N 3.2Å; D91-Q93 VanDerWaalsContact C-N 3.31Å; D91-Q93 PolarHBondContact O-N 3.46Å; D91-Q93 PolarHBondContact OD1-N 3.11Å; D91-L94 HydrophobicContact CB-CB 4.45Å; D91-L94 WeakPolarHBondContact OD2-CB 3.33Å; D91-L94 VanDerWaalsContact OD2-CD1 3.23Å; D91-L94 WeakPolarHBondContact OD2-CD1 3.33Å; D91-L94 VanDerWaalsContact OD2-CG 3.32Å; D91-L94 WeakPolarHBondContact OD2-CG 3.49Å; D91-G95 WeakPolarHBondContact O-CA 3.42Å; D91-G95 PolarHBondContact O-N 2.9Å; D91-K96 PolarHBondContact N-O 3.11Å; D91-K96 PolarHBondContact O-N 2.76Å; D91-V98 HydrophobicContact CB-CG2 3.99Å
92	R	72.5	Confident	80.1	Confident	184 Å²	184	83.6 Å²	83.6	69%	0.694	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.6	-29.3	-178.9	-74.2	-175.5	174.3	-177.7	-0.8	113.2	I46 F90	I46-R92 HydrophobicContact CD1-CB 3.83Å; I46-R92 VanDerWaalsContact CD1-O 3.23Å; I46-R92 WeakPolarHBondContact CD1-O 3.32Å; F90-R92 HydrophobicContact CD1-CG 4.18Å; F90-R92 HydrophobicContact CE1-CG 4.2Å; F90-R92 PolarHBondContact O-N 2.79Å
93	Q	69.6	Low	80.4	Confident	58 Å²	58	86.8 Å²	86.8	27%	0.271	44%	0.438	S	S	.	.	T	Hydrogen-bonded Turn	trans	-83.9	-39.7	-174.9	-62.1	-161.2	26.2	0	0	112.4	D36 D91	D36-Q93 PolarHBondContact OD1-OE1 3.35Å; D36-Q93 PolarHBondContact OD2-NE2 3.17Å; D36-Q93 PolarHBondContact OD2-OE1 2.87Å; D91-Q93 VanDerWaalsContact C-N 3.31Å; D91-Q93 PolarHBondContact O-N 3.46Å; D91-Q93 PolarHBondContact OD1-N 3.11Å
94	L	70.8	Confident	80.5	Confident	73 Å²	73	83 Å²	83	38%	0.382	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-15.2	176.7	-68.9	173.9	0	0	0	113.2	D91 K96	D91-L94 HydrophobicContact CB-CB 4.45Å; D91-L94 WeakPolarHBondContact OD2-CB 3.33Å; D91-L94 VanDerWaalsContact OD2-CD1 3.23Å; D91-L94 WeakPolarHBondContact OD2-CD1 3.33Å; D91-L94 VanDerWaalsContact OD2-CG 3.32Å; D91-L94 WeakPolarHBondContact OD2-CG 3.49Å; L94-K96 HydrophobicContact CB-CB 4.36Å; L94-K96 PolarHBondContact O-N 3.18Å
95	G	72.3	Confident	80.6	Confident	27 Å²	27	80.1 Å²	80.1	28%	0.278	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	62.8	27.1	-175.5	0	0	0	0	0	112.9	P67 D91	P67-G95 WeakPolarHBondContact CG-O 3.41Å; D91-G95 WeakPolarHBondContact O-CA 3.42Å; D91-G95 PolarHBondContact O-N 2.9Å
96	K	78.1	Confident	80.8	Confident	139 Å²	139	81.7 Å²	81.7	60%	0.604	41%	0.411	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-127.7	145.1	-174.1	-172.6	179.6	176.7	-177.4	0	110.6	D91 L94	D91-K96 PolarHBondContact N-O 3.11Å; D91-K96 PolarHBondContact O-N 2.76Å; L94-K96 HydrophobicContact CB-CB 4.36Å; L94-K96 PolarHBondContact O-N 3.18Å
97	N	80.4	Confident	81	Confident	77 Å²	77	76.5 Å²	76.5	41%	0.412	40%	0.397	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	121.9	168.7	-69.4	-31.8	0	0	0	110.2	F90	F90-N97 WeakPolarHBondContact CD2-OD1 3.33Å
98	V	81.7	Confident	81.1	Confident	66 Å²	66	80 Å²	80	40%	0.4	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108	128	179.4	-178.6	0	0	0	0	109.2	T88 V89 D91	T88-V98 CarbonylContact C-O 3.54Å; T88-V98 WeakPolarHBondContact CA-O 3.5Å; V89-V98 PolarHBondContact N-O 3.33Å; V89-V98 PolarHBondContact O-N 2.76Å; D91-V98 HydrophobicContact CB-CG2 3.99Å
99	V	85.1	Confident	81.3	Confident	76 Å²	76	85.1 Å²	85.1	46%	0.461	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.1	126.4	175.6	-176.7	0	0	0	0	108.8	N84 K87 T88	N84-V99 HydrophobicContact CB-CG1 4.23Å; K87-V99 HydrophobicContact CB-CG1 4.02Å; T88-V99 HydrophobicContact CG2-CG2 3.74Å
100	L	84.3	Confident	81.6	Confident	56 Å²	56	81.9 Å²	81.9	29%	0.293	41%	0.411	S	S	.	.	P	Polyproline II helix	trans	-68.3	130.7	174.1	-67.7	171.7	0	0	0	110.7	K87 V89 V105 I108	K87-L100 HydrophobicContact CB-CB 4.46Å; K87-L100 WeakPolarHBondContact O-CB 3.38Å; K87-L100 WeakPolarHBondContact O-CG 3.45Å; K87-L100 PolarHBondContact O-N 2.91Å; V89-L100 HydrophobicContact CG2-CD1 3.93Å; V89-L100 HydrophobicContact CG2-CG 4.12Å; L100-V105 HydrophobicContact CB-CG2 4.08Å; L100-I108 HydrophobicContact CD1-CD1 4.39Å
101	P	87.4	Confident	81.9	Confident	80 Å²	80	80.4 Å²	80.4	52%	0.519	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-66.5	152.7	174.1	27.2	-32.3	0	0	0	111	E103 A104 V105	P101-E103 PolarHBondContact O-N 3.06Å; P101-A104 HydrophobicContact CG-CB 3.79Å; P101-A104 WeakPolarHBondContact O-CB 3.5Å; P101-A104 PolarHBondContact O-N 3.17Å; P101-V105 PolarHBondContact O-N 3.05Å; P101-V105 VanDerWaalsContact O-N 3.08Å
102	D	84.4	Confident	82.5	Confident	105 Å²	105	86.4 Å²	86.4	56%	0.561	44%	0.438	S	S	*	.	H	α-helix	trans	-60.5	-32.8	-175.7	-76	-22.2	0	0	0	113	K87 A104 V105 E106	K87-D102 VanDerWaalsContact CE-OD1 3.27Å; K87-D102 WeakPolarHBondContact CE-OD1 3.42Å; K87-D102 IonicContact NZ-OD1 2.95Å; K87-D102 PolarHBondContact NZ-OD1 3Å; K87-D102 IonicContact NZ-OD2 2.93Å; D102-A104 PolarHBondContact O-N 3.02Å; D102-V105 PolarHBondContact O-N 3.18Å; D102-E106 WeakPolarHBondContact O-CB 3.34Å; D102-E106 PolarHBondContact O-N 3.39Å
103	E	85.4	Confident	83.3	Confident	157 Å²	157	80.4 Å²	80.4	73%	0.734	43%	0.428	S	S	*	.	H	α-helix	trans	-60.7	-43.1	173.1	-63.8	176.2	-174.2	0	0	111.7	P101 V105 E106 T107	P101-E103 PolarHBondContact O-N 3.06Å; E103-V105 VanDerWaalsContact C-N 3.34Å; E103-V105 PolarHBondContact O-N 3.3Å; E103-E106 PolarHBondContact O-N 3.28Å; E103-T107 WeakPolarHBondContact O-CG2 3.49Å; E103-T107 PolarHBondContact O-N 2.95Å; E103-T107 PolarHBondContact O-OG1 2.63Å
104	A	84.4	Confident	84	Confident	27 Å²	27	81.1 Å²	81.1	22%	0.223	45%	0.451	C	S	.	.	H	α-helix	trans	-67.5	-35.8	175.9	0	0	0	0	0	111.7	P101 D102 E106 T107 I108	P101-A104 HydrophobicContact CG-CB 3.79Å; P101-A104 WeakPolarHBondContact O-CB 3.5Å; P101-A104 PolarHBondContact O-N 3.17Å; D102-A104 PolarHBondContact O-N 3.02Å; A104-E106 VanDerWaalsContact C-N 3.31Å; A104-T107 WeakPolarHBondContact CA-OG1 3.48Å; A104-T107 PolarHBondContact O-OG1 3.07Å; A104-I108 WeakPolarHBondContact O-CB 3.45Å; A104-I108 WeakPolarHBondContact O-CD1 3.39Å; A104-I108 WeakPolarHBondContact O-CG1 3.38Å; A104-I108 PolarHBondContact O-N 3.32Å
105	V	85.7	Confident	84.6	Confident	16 Å²	16	85 Å²	85	10%	0.097	46%	0.46	C	S	.	.	H	α-helix	trans	-66.5	-37.3	174.3	178.5	0	0	0	0	110.8	W86 K87 L100 P101 D102 E103 R109	W86-V105 HydrophobicContact CH2-CG1 3.93Å; W86-V105 HydrophobicContact CZ3-CG1 4.04Å; K87-V105 HydrophobicContact CD-CG2 4.42Å; K87-V105 HydrophobicContact CG-CG2 4.37Å; L100-V105 HydrophobicContact CB-CG2 4.08Å; P101-V105 PolarHBondContact O-N 3.05Å; P101-V105 VanDerWaalsContact O-N 3.08Å; D102-V105 PolarHBondContact O-N 3.18Å; E103-V105 VanDerWaalsContact C-N 3.34Å; E103-V105 PolarHBondContact O-N 3.3Å; V105-R109 WeakPolarHBondContact O-CB 3.39Å; V105-R109 VanDerWaalsContact O-CG 3.26Å; V105-R109 WeakPolarHBondContact O-CG 3.49Å; V105-R109 PolarHBondContact O-N 2.97Å
106	E	85.9	Confident	85.1	Confident	99 Å²	99	89 Å²	89	46%	0.463	47%	0.47	S	S	.	.	H	α-helix	trans	-72	-40.1	177.7	-167.5	161.5	-151.5	0	0	112.3	D102 E103 A104 I108 R109 N110 P119	D102-E106 WeakPolarHBondContact O-CB 3.34Å; D102-E106 PolarHBondContact O-N 3.39Å; E103-E106 PolarHBondContact O-N 3.28Å; A104-E106 VanDerWaalsContact C-N 3.31Å; E106-I108 PolarHBondContact O-N 3.12Å; E106-R109 PolarHBondContact O-N 2.82Å; E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 VanDerWaalsContact O-CG 3.22Å; E106-N110 PolarHBondContact O-N 2.72Å; E106-N110 PolarHBondContact O-ND2 3.03Å; E106-P119 HydrophobicContact CG-CG 4.37Å
107	T	86.2	Confident	85.2	Confident	49 Å²	49	85.4 Å²	85.4	30%	0.301	46%	0.461	S	S	.	.	H	α-helix	trans	-61.7	-44	172.2	57.2	0	0	0	0	111.1	E103 A104 R109 N110 V111 P117	E103-T107 WeakPolarHBondContact O-CG2 3.49Å; E103-T107 PolarHBondContact O-N 2.95Å; E103-T107 PolarHBondContact O-OG1 2.63Å; A104-T107 WeakPolarHBondContact CA-OG1 3.48Å; A104-T107 PolarHBondContact O-OG1 3.07Å; T107-R109 VanDerWaalsContact C-N 3.32Å; T107-R109 PolarHBondContact O-N 3.09Å; T107-N110 PolarHBondContact O-N 3.12Å; T107-N110 VanDerWaalsContact O-N 3.17Å; T107-V111 WeakPolarHBondContact O-CB 3.45Å; T107-V111 VanDerWaalsContact O-CG2 3.26Å; T107-V111 WeakPolarHBondContact O-CG2 3.29Å; T107-V111 PolarHBondContact O-N 3.18Å; T107-P117 WeakPolarHBondContact CG2-O 3.39Å
108	I	86.3	Confident	85.3	Confident	99 Å²	99	86.3 Å²	86.3	51%	0.508	47%	0.469	S	S	.	.	H	α-helix	trans	-59.9	-42.6	174.9	-68.6	163.9	0	0	0	111	L100 A104 E106 H112	L100-I108 HydrophobicContact CD1-CD1 4.39Å; A104-I108 WeakPolarHBondContact O-CB 3.45Å; A104-I108 WeakPolarHBondContact O-CD1 3.39Å; A104-I108 WeakPolarHBondContact O-CG1 3.38Å; A104-I108 PolarHBondContact O-N 3.32Å; E106-I108 PolarHBondContact O-N 3.12Å; I108-H112 WeakPolarHBondContact O-CB 3.33Å; I108-H112 PolarHBondContact O-N 3.41Å
109	R	87.6	Confident	84.9	Confident	147 Å²	147	86.8 Å²	86.8	56%	0.555	47%	0.474	S	S	*	.	H	α-helix	trans	-65.3	-38.7	175.9	-77.1	174.1	176.9	-177.6	1.2	112.3	V105 E106 T107 A113	V105-R109 WeakPolarHBondContact O-CB 3.39Å; V105-R109 VanDerWaalsContact O-CG 3.26Å; V105-R109 WeakPolarHBondContact O-CG 3.49Å; V105-R109 PolarHBondContact O-N 2.97Å; E106-R109 PolarHBondContact O-N 2.82Å; T107-R109 VanDerWaalsContact C-N 3.32Å; T107-R109 PolarHBondContact O-N 3.09Å; R109-A113 VanDerWaalsContact O-CB 3.31Å; R109-A113 WeakPolarHBondContact O-CB 3.3Å; R109-A113 PolarHBondContact O-N 3.25Å
110	N	88.2	Confident	84.7	Confident	12 Å²	12	87.2 Å²	87.2	6%	0.064	49%	0.493	C	S	.	.	H	α-helix	trans	-67.2	-45.8	178	-73.7	-19.1	0	0	0	111	E106 T107 H112 A113 G114 R115 F116 P117	E106-N110 WeakPolarHBondContact O-CB 3.43Å; E106-N110 VanDerWaalsContact O-CG 3.22Å; E106-N110 PolarHBondContact O-N 2.72Å; E106-N110 PolarHBondContact O-ND2 3.03Å; T107-N110 PolarHBondContact O-N 3.12Å; T107-N110 VanDerWaalsContact O-N 3.17Å; N110-H112 PolarHBondContact O-N 3.08Å; N110-A113 PolarHBondContact O-N 3.33Å; N110-G114 PolarHBondContact O-N 2.84Å; N110-R115 CarbonylContact C-O 3.51Å; N110-R115 HydrophobicContact CB-CB 4.21Å; N110-R115 PolarHBondContact O-N 2.8Å; N110-F116 WeakPolarHBondContact CB-O 3.06Å; N110-P117 PolarHBondContact ND2-O 2.92Å
111	V	87.3	Confident	84.6	Confident	94 Å²	94	90.7 Å²	90.7	57%	0.57	50%	0.503	S	S	*	.	H	α-helix	trans	-59	-46.4	174.9	171.9	0	0	0	0	111	T107 A113 G114 P117	T107-V111 WeakPolarHBondContact O-CB 3.45Å; T107-V111 VanDerWaalsContact O-CG2 3.26Å; T107-V111 WeakPolarHBondContact O-CG2 3.29Å; T107-V111 PolarHBondContact O-N 3.18Å; V111-A113 VanDerWaalsContact C-N 3.31Å; V111-A113 PolarHBondContact O-N 3.02Å; V111-G114 PolarHBondContact O-N 2.84Å; V111-G114 VanDerWaalsContact O-N 3.16Å; V111-P117 HydrophobicContact CG2-CB 4.25Å; V111-P117 HydrophobicContact CG2-CG 4.02Å
112	H	89.4	Confident	84.3	Confident	174 Å²	174	90.5 Å²	90.5	81%	0.806	50%	0.498	S	S	*	.	H	α-helix	trans	-65.2	-33.6	179	-168.2	76.2	0	0	0	113.1	I108 N110 G114	I108-H112 WeakPolarHBondContact O-CB 3.33Å; I108-H112 PolarHBondContact O-N 3.41Å; N110-H112 PolarHBondContact O-N 3.08Å; H112-G114 VanDerWaalsContact C-N 3.27Å; H112-G114 PolarHBondContact O-N 3.48Å
113	A	88.3	Confident	84.2	Confident	58 Å²	58	88 Å²	88	48%	0.479	49%	0.488	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.2	-1.2	177.3	0	0	0	0	0	113.8	R109 N110 V111 R115	R109-A113 VanDerWaalsContact O-CB 3.31Å; R109-A113 WeakPolarHBondContact O-CB 3.3Å; R109-A113 PolarHBondContact O-N 3.25Å; N110-A113 PolarHBondContact O-N 3.33Å; V111-A113 VanDerWaalsContact C-N 3.31Å; V111-A113 PolarHBondContact O-N 3.02Å; A113-R115 HydrophobicContact CB-CG 4.16Å; A113-R115 PolarHBondContact O-N 2.86Å
114	G	84.3	Confident	84.2	Confident	73 Å²	73	89.8 Å²	89.8	75%	0.753	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.1	21.2	-172.4	0	0	0	0	0	113.6	N110 V111 H112	N110-G114 PolarHBondContact O-N 2.84Å; V111-G114 PolarHBondContact O-N 2.84Å; V111-G114 VanDerWaalsContact O-N 3.16Å; H112-G114 VanDerWaalsContact C-N 3.27Å; H112-G114 PolarHBondContact O-N 3.48Å
115	R	83.8	Confident	84.2	Confident	155 Å²	155	95.5 Å²	95.5	59%	0.585	51%	0.511	S	S	*	.	S	Bend	trans	-89.3	160.9	172.4	-67	-171.7	-74.4	-162.2	-0.7	109.8	N110 A113	N110-R115 CarbonylContact C-O 3.51Å; N110-R115 HydrophobicContact CB-CB 4.21Å; N110-R115 PolarHBondContact O-N 2.8Å; A113-R115 HydrophobicContact CB-CG 4.16Å; A113-R115 PolarHBondContact O-N 2.86Å
116	F	83	Confident	84.1	Confident	109 Å²	109	102 Å²	102	48%	0.478	55%	0.545	S	S	.	.			trans	-60.5	134	175.4	-63.9	-79.2	0	0	0	110.1	N110 V118 Y121 P123	N110-F116 WeakPolarHBondContact CB-O 3.06Å; F116-V118 VanDerWaalsContact C-N 3.3Å; F116-V118 PolarHBondContact O-N 2.81Å; F116-Y121 HydrophobicContact CB-CD1 4.08Å; F116-Y121 HydrophobicContact CB-CG 4.46Å; F116-Y121 AromaticContact CD1-CD1 3.66Å; F116-Y121 HydrophobicContact CD1-CD1 3.66Å; F116-Y121 AromaticContact CD1-CE1 3.88Å; F116-Y121 HydrophobicContact CD1-CE1 3.88Å; F116-Y121 HydrophobicContact CD2-CD1 4.06Å; F116-Y121 HydrophobicContact CE1-CD1 4.11Å; F116-Y121 AromaticContact CE1-CE1 3.94Å; F116-Y121 HydrophobicContact CE1-CE1 3.94Å; F116-Y121 HydrophobicContact CE2-CD1 4.49Å; F116-Y121 AromaticContact CG-CD1 3.64Å; F116-Y121 HydrophobicContact CG-CD1 3.64Å; F116-Y121 HydrophobicContact CG-CE1 4.3Å; F116-Y121 HydrophobicContact CG-CG 4.48Å; F116-Y121 HydrophobicContact CZ-CE1 4.42Å; F116-P123 HydrophobicContact CD2-CG 4.02Å; F116-P123 HydrophobicContact CE2-CB 3.68Å; F116-P123 HydrophobicContact CE2-CG 3.41Å; F116-P123 VanDerWaalsContact CE2-CG 3.41Å; F116-P123 HydrophobicContact CZ-CB 3.74Å; F116-P123 HydrophobicContact CZ-CG 4.03Å
117	P	81.3	Confident	83.9	Confident	65 Å²	65	105.8 Å²	105.8	42%	0.422	56%	0.56	S	S	.	*	S	Bend	trans	-57.7	-41.8	-175.3	-25.8	33.6	0	0	0	112.9	T107 N110 V111 P119	T107-P117 WeakPolarHBondContact CG2-O 3.39Å; N110-P117 PolarHBondContact ND2-O 2.92Å; V111-P117 HydrophobicContact CG2-CB 4.25Å; V111-P117 HydrophobicContact CG2-CG 4.02Å; P117-P119 WeakPolarHBondContact O-CD 3.5Å
118	V	81.4	Confident	83.8	Confident	96 Å²	96	108.5 Å²	108.5	58%	0.582	58%	0.577	S	S	*	*	S	Bend	trans	-79.1	116.4	-179.4	-174.5	0	0	0	0	109.9	F116 G120 Y121	F116-V118 VanDerWaalsContact C-N 3.3Å; F116-V118 PolarHBondContact O-N 2.81Å; V118-G120 PolarHBondContact O-N 2.98Å; V118-Y121 PolarHBondContact O-N 3.07Å
119	P	73.6	Confident	83.5	Confident	76 Å²	76	107 Å²	107	49%	0.494	57%	0.57	S	S	.	*	T	Hydrogen-bonded Turn	trans	-60	129.2	173.4	-17.1	29.8	0	0	0	110.3	E106 P117	E106-P119 HydrophobicContact CG-CG 4.37Å; P117-P119 WeakPolarHBondContact O-CD 3.5Å
120	G	81	Confident	83.2	Confident	84 Å²	84	108.2 Å²	108.2	87%	0.866	58%	0.579	S	S	*	*	T	Hydrogen-bonded Turn	trans	92	1.4	178.4	0	0	0	0	0	116.1	V118 N122	V118-G120 PolarHBondContact O-N 2.98Å; G120-N122 PolarHBondContact O-N 3.19Å
121	Y	82	Confident	82.7	Confident	129 Å²	129	114.7 Å²	114.7	51%	0.506	61%	0.607	S	S	.	*			trans	-61.9	121.5	174.3	-177.2	-102.8	0	0	0	111.6	F116 V118 P123	F116-Y121 HydrophobicContact CB-CD1 4.08Å; F116-Y121 HydrophobicContact CB-CG 4.46Å; F116-Y121 AromaticContact CD1-CD1 3.66Å; F116-Y121 HydrophobicContact CD1-CD1 3.66Å; F116-Y121 AromaticContact CD1-CE1 3.88Å; F116-Y121 HydrophobicContact CD1-CE1 3.88Å; F116-Y121 HydrophobicContact CD2-CD1 4.06Å; F116-Y121 HydrophobicContact CE1-CD1 4.11Å; F116-Y121 AromaticContact CE1-CE1 3.94Å; F116-Y121 HydrophobicContact CE1-CE1 3.94Å; F116-Y121 HydrophobicContact CE2-CD1 4.49Å; F116-Y121 AromaticContact CG-CD1 3.64Å; F116-Y121 HydrophobicContact CG-CD1 3.64Å; F116-Y121 HydrophobicContact CG-CE1 4.3Å; F116-Y121 HydrophobicContact CG-CG 4.48Å; F116-Y121 HydrophobicContact CZ-CE1 4.42Å; V118-Y121 PolarHBondContact O-N 3.07Å; Y121-P123 HydrophobicContact CE1-CB 4.34Å; Y121-P123 VanDerWaalsContact O-CD 3.31Å; Y121-P123 WeakPolarHBondContact O-CD 3.31Å
122	N	81.5	Confident	82.2	Confident	77 Å²	77	113.7 Å²	113.7	41%	0.412	60%	0.604	S	S	.	*			trans	-83.5	110	171.9	-178.9	12.6	0	0	0	109.3	G120 Y124 E125	G120-N122 PolarHBondContact O-N 3.19Å; N122-Y124 PolarHBondContact O-N 3.25Å; N122-Y124 PolarHBondContact OD1-N 3.31Å; N122-Y124 VanDerWaalsContact OD1-N 3.09Å; N122-E125 HydrophobicContact CB-CG 4.01Å
123	P	81.6	Confident	81.9	Confident	53 Å²	53	111.5 Å²	111.5	34%	0.344	59%	0.594	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71	-11.4	-179	-4.4	20	0	0	0	113.5	F116 Y121	F116-P123 HydrophobicContact CD2-CG 4.02Å; F116-P123 HydrophobicContact CE2-CB 3.68Å; F116-P123 HydrophobicContact CE2-CG 3.41Å; F116-P123 VanDerWaalsContact CE2-CG 3.41Å; F116-P123 HydrophobicContact CZ-CB 3.74Å; F116-P123 HydrophobicContact CZ-CG 4.03Å; Y121-P123 HydrophobicContact CE1-CB 4.34Å; Y121-P123 VanDerWaalsContact O-CD 3.31Å; Y121-P123 WeakPolarHBondContact O-CD 3.31Å
124	Y	85.4	Confident	81.5	Confident	193 Å²	193	115.2 Å²	115.2	76%	0.757	60%	0.602	S	S	*	*	T	Hydrogen-bonded Turn	trans	-130.4	51.1	-170.3	-50.2	-67.8	0	0	0	110.4	N122	N122-Y124 PolarHBondContact O-N 3.25Å; N122-Y124 PolarHBondContact OD1-N 3.31Å; N122-Y124 VanDerWaalsContact OD1-N 3.09Å
125	E	83.9	Confident	81.3	Confident	147 Å²	147	121 Å²	121	69%	0.687	61%	0.606	S	S	*	*			trans	-62.8	142.4	168.4	-71.8	-177.5	167.2	0	0	110.7	N122 F127	N122-E125 HydrophobicContact CB-CG 4.01Å; E125-F127 PolarHBondContact O-N 3.4Å
126	D	83.3	Confident	81.1	Confident	152 Å²	152	117.9 Å²	117.9	81%	0.813	61%	0.613	S	S	*	*			trans	-61.5	133.8	176.5	-77.2	-25	0	0	0	109.6	V128	D126-V128 PolarHBondContact O-N 2.79Å
127	F	83.4	Confident	81.2	Confident	179 Å²	179	119.7 Å²	119.7	79%	0.785	63%	0.633	S	S	*	*			trans	-66.1	103.7	177.8	177.8	-99.6	0	0	0	110.1	E125 D129	E125-F127 PolarHBondContact O-N 3.4Å; F127-D129 HydrophobicContact CD1-CB 4.46Å; F127-D129 HydrophobicContact CE1-CB 3.92Å
128	V	83.4	Confident	81.3	Confident	107 Å²	107	123.5 Å²	123.5	65%	0.648	65%	0.647	S	S	*	*			trans	-84.2	112.8	173	-179.3	0	0	0	0	109.2	D126 F130	D126-V128 PolarHBondContact O-N 2.79Å; V128-F130 WeakPolarHBondContact O-CD1 3.33Å; V128-F130 PolarHBondContact O-N 2.8Å
129	D	80.5	Confident	81.4	Confident	67 Å²	67	123.7 Å²	123.7	36%	0.358	65%	0.65	S	S	.	*			trans	-81.7	78	177.7	-172.4	9.6	0	0	0	112.3	F127 F131 S132	F127-D129 HydrophobicContact CD1-CB 4.46Å; F127-D129 HydrophobicContact CE1-CB 3.92Å; D129-F131 PolarHBondContact O-N 2.86Å; D129-S132 WeakPolarHBondContact OD1-CA 3.3Å; D129-S132 VanDerWaalsContact OD1-CB 3.22Å; D129-S132 WeakPolarHBondContact OD1-CB 3.46Å; D129-S132 PolarHBondContact OD1-N 2.86Å; D129-S132 PolarHBondContact OD1-OG 2.83Å; D129-S132 WeakPolarHBondContact OD2-CB 3.44Å; D129-S132 PolarHBondContact OD2-OG 2.99Å
130	F	81	Confident	81.7	Confident	173 Å²	173	126.9 Å²	126.9	76%	0.759	67%	0.668	S	S	*	*	S	Bend	trans	-72.2	-7.6	-178.3	50.6	-95.2	0	0	0	114.6	V128 H133	V128-F130 WeakPolarHBondContact O-CD1 3.33Å; V128-F130 PolarHBondContact O-N 2.8Å; F130-H133 PolarHBondContact O-CE1 2.85Å; F130-H133 VanDerWaalsContact O-CE1 3.28Å
131	F	77.6	Confident	81.8	Confident	148 Å²	148	131 Å²	131	65%	0.649	66%	0.662	S	S	*	*	S	Bend	trans	-129.9	-39.8	-173.2	-173.9	-104.7	0	0	0	114.5	D129 H133 E134	D129-F131 PolarHBondContact O-N 2.86Å; F131-H133 PolarHBondContact O-N 2.94Å; F131-H133 VanDerWaalsContact O-N 3.12Å; F131-E134 PolarHBondContact O-N 2.89Å; F131-E134 VanDerWaalsContact O-N 3.16Å
132	S	76.4	Confident	81.9	Confident	72 Å²	72	132.4 Å²	132.4	50%	0.503	68%	0.678	S	S	.	*	T	Hydrogen-bonded Turn	trans	-71.5	-10.5	-173.4	-17.5	0	0	0	0	114.4	D129 E134	D129-S132 WeakPolarHBondContact OD1-CA 3.3Å; D129-S132 VanDerWaalsContact OD1-CB 3.22Å; D129-S132 WeakPolarHBondContact OD1-CB 3.46Å; D129-S132 PolarHBondContact OD1-N 2.86Å; D129-S132 PolarHBondContact OD1-OG 2.83Å; D129-S132 WeakPolarHBondContact OD2-CB 3.44Å; D129-S132 PolarHBondContact OD2-OG 2.99Å; S132-E134 PolarHBondContact O-N 3.47Å
133	H	82.2	Confident	81.9	Confident	129 Å²	129	131.7 Å²	131.7	60%	0.597	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.2	-24.7	172.6	73.1	-85.7	0	0	0	112.1	F130 F131	F130-H133 PolarHBondContact O-CE1 2.85Å; F130-H133 VanDerWaalsContact O-CE1 3.28Å; F131-H133 PolarHBondContact O-N 2.94Å; F131-H133 VanDerWaalsContact O-N 3.12Å
134	E	81.5	Confident	82.2	Confident	136 Å²	136	134.7 Å²	134.7	64%	0.636	70%	0.703	S	S	*	*	S	Bend	trans	-92.3	101.7	172.2	-60.8	-170	164.6	0	0	110.9	F131 S132 A136	F131-E134 PolarHBondContact O-N 2.89Å; F131-E134 VanDerWaalsContact O-N 3.16Å; S132-E134 PolarHBondContact O-N 3.47Å; E134-A136 PolarHBondContact O-N 3.06Å
135	K	79.1	Confident	82.1	Confident	194 Å²	194	131.6 Å²	131.6	84%	0.843	70%	0.699	S	S	*	*			trans	-73.6	113.5	178.7	-73.4	178.9	-178.1	173.9	0	111.3	V137	K135-V137 PolarHBondContact O-N 2.63Å
136	A	80.4	Confident	82.1	Confident	89 Å²	89	127.4 Å²	127.4	74%	0.736	68%	0.683	S	S	*	*			trans	-62.7	123.1	172.6	0	0	0	0	0	111.7	E134	E134-A136 PolarHBondContact O-N 3.06Å
137	V	84.2	Confident	82.3	Confident	147 Å²	147	128.3 Å²	128.3	89%	0.891	68%	0.68	S	S	*	*	S	Bend	trans	-81.3	-32.7	179.3	178.5	0	0	0	0	112.1	K135	K135-V137 PolarHBondContact O-N 2.63Å
138	M	84.4	Confident	82.4	Confident	146 Å²	146	129 Å²	129	72%	0.719	68%	0.677	S	S	*	*	S	Bend	trans	-119.7	149.1	-178.7	63.8	-172.9	76.3	0	0	109.9
139	P	82.3	Confident	82.4	Confident	99 Å²	99	127.5 Å²	127.5	64%	0.643	67%	0.671	S	S	*	*			trans	-60.1	144	168.2	28	-33.8	0	0	0	109.4	F141	P139-F141 PolarHBondContact O-N 3.39Å; P139-F141 VanDerWaalsContact O-N 3.11Å
140	V	80.7	Confident	82.6	Confident	143 Å²	143	131.5 Å²	131.5	87%	0.867	69%	0.686	S	S	*	*	S	Bend	trans	-58.3	-26.5	179.4	179.5	0	0	0	0	112.4
141	F	82.3	Confident	82.9	Confident	171 Å²	171	126.7 Å²	126.7	75%	0.75	67%	0.671	S	S	*	*			trans	-124.8	121.1	177.3	-105.3	-92.9	0	0	0	110.5	P139 A143	P139-F141 PolarHBondContact O-N 3.39Å; P139-F141 VanDerWaalsContact O-N 3.11Å; F141-A143 PolarHBondContact O-N 2.92Å
142	D	83.9	Confident	83.3	Confident	159 Å²	159	125 Å²	125	85%	0.85	67%	0.674	S	S	*	*			trans	-81.2	53.6	168.3	-170	24.1	0	0	0	111.2
143	A	82.9	Confident	83.8	Confident	62 Å²	62	123.9 Å²	123.9	51%	0.512	67%	0.666	S	S	.	*	P	Polyproline II helix	trans	-80.2	126.3	175.6	0	0	0	0	0	109.1	F141 L145	F141-A143 PolarHBondContact O-N 2.92Å; A143-L145 PolarHBondContact O-N 3.43Å
144	P	86.1	Confident	84.1	Confident	116 Å²	116	127.4 Å²	127.4	75%	0.753	68%	0.675	S	S	*	*	P	Polyproline II helix	trans	-57.7	131.3	177.3	23.2	-32.8	0	0	0	109.7	T146	P144-T146 PolarHBondContact O-N 3.41Å; P144-T146 VanDerWaalsContact O-N 3.07Å
145	L	83.5	Confident	84.3	Confident	128 Å²	128	125.1 Å²	125.1	67%	0.67	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-57	119.8	-179.9	-73.2	167.7	0	0	0	109.7	A143 F150	A143-L145 PolarHBondContact O-N 3.43Å; L145-F150 HydrophobicContact CB-CE2 3.6Å; L145-F150 HydrophobicContact CB-CZ 3.81Å; L145-F150 HydrophobicContact CD1-CE1 4.44Å; L145-F150 HydrophobicContact CD1-CE2 4.27Å; L145-F150 HydrophobicContact CD1-CZ 3.57Å; L145-F150 HydrophobicContact CG-CZ 4.3Å
146	T	85.7	Confident	84.7	Confident	59 Å²	59	121.4 Å²	121.4	36%	0.362	66%	0.655	S	S	.	*	P	Polyproline II helix	trans	-64.8	142.9	-179.4	56.1	0	0	0	0	110.6	P144 R148 S149	P144-T146 PolarHBondContact O-N 3.41Å; P144-T146 VanDerWaalsContact O-N 3.07Å; T146-R148 PolarHBondContact O-N 2.96Å; T146-R148 WeakPolarHBondContact OG1-CG 3.43Å; T146-R148 PolarHBondContact OG1-NE 2.89Å; T146-S149 VanDerWaalsContact O-CB 3.28Å; T146-S149 WeakPolarHBondContact O-CB 3.5Å; T146-S149 PolarHBondContact O-N 3.05Å; T146-S149 PolarHBondContact O-OG 3.08Å; T146-S149 PolarHBondContact OG1-OG 3.4Å
147	K	86.5	Confident	85.1	Confident	171 Å²	171	126.6 Å²	126.6	74%	0.743	66%	0.656	S	S	*	*	G	3₁₀ helix	trans	-53.5	-27.1	177.9	-169.8	171.9	-176.1	172.6	0	113.7	S149 F150 V151	K147-S149 PolarHBondContact O-N 3.13Å; K147-F150 PolarHBondContact O-N 2.8Å; K147-V151 HydrophobicContact CG-CG2 3.85Å; K147-V151 WeakPolarHBondContact O-CG2 3.49Å; K147-V151 PolarHBondContact O-N 3.26Å; K147-V151 VanDerWaalsContact O-N 3.14Å
148	R	85.8	Confident	85.3	Confident	194 Å²	194	128.2 Å²	128.2	73%	0.732	65%	0.646	S	S	*	*	G	3₁₀ helix	trans	-63.8	-16.4	174	62.3	171	-178	-179.1	3.8	114.3	T146 V151	T146-R148 PolarHBondContact O-N 2.96Å; T146-R148 WeakPolarHBondContact OG1-CG 3.43Å; T146-R148 PolarHBondContact OG1-NE 2.89Å; R148-V151 VanDerWaalsContact O-O 3.14Å
149	S	82.9	Confident	85.5	Confident	75 Å²	75	127.6 Å²	127.6	52%	0.524	64%	0.639	S	S	.	*	G	3₁₀ helix	trans	-78.6	-23.9	176.9	-52.7	0	0	0	0	112.4	T146 K147	T146-S149 VanDerWaalsContact O-CB 3.28Å; T146-S149 WeakPolarHBondContact O-CB 3.5Å; T146-S149 PolarHBondContact O-N 3.05Å; T146-S149 PolarHBondContact O-OG 3.08Å; T146-S149 PolarHBondContact OG1-OG 3.4Å; K147-S149 PolarHBondContact O-N 3.13Å
150	F	85.9	Confident	85.7	Confident	150 Å²	150	126.4 Å²	126.4	66%	0.658	63%	0.63	S	S	*	*	T	Hydrogen-bonded Turn	trans	-108.7	-19.7	-178.1	-55.2	-75.7	0	0	0	113.5	L145 K147	L145-F150 HydrophobicContact CB-CE2 3.6Å; L145-F150 HydrophobicContact CB-CZ 3.81Å; L145-F150 HydrophobicContact CD1-CE1 4.44Å; L145-F150 HydrophobicContact CD1-CE2 4.27Å; L145-F150 HydrophobicContact CD1-CZ 3.57Å; L145-F150 HydrophobicContact CG-CZ 4.3Å; K147-F150 PolarHBondContact O-N 2.8Å
151	V	87.1	Confident	86	Confident	73 Å²	73	122.7 Å²	122.7	44%	0.442	61%	0.61	S	S	.	*	S	Bend	trans	-104.5	143.8	179.8	-176.8	0	0	0	0	108.6	K147 R148 S153	K147-V151 HydrophobicContact CG-CG2 3.85Å; K147-V151 WeakPolarHBondContact O-CG2 3.49Å; K147-V151 PolarHBondContact O-N 3.26Å; K147-V151 VanDerWaalsContact O-N 3.14Å; R148-V151 VanDerWaalsContact O-O 3.14Å; V151-S153 PolarHBondContact O-N 3.1Å
152	P	86.2	Confident	86.3	Confident	112 Å²	112	120.7 Å²	120.7	73%	0.727	61%	0.605	S	S	*	*			trans	-46.1	138	174.5	-30.9	35.8	0	0	0	113.1	R154	P152-R154 PolarHBondContact O-N 3.5Å
153	S	86.9	Confident	86.4	Confident	48 Å²	48	118 Å²	118	34%	0.336	59%	0.59	S	S	.	*			trans	-56.9	125.8	-169.2	168.8	0	0	0	0	111.9	V151 V155 E156 R157	V151-S153 PolarHBondContact O-N 3.1Å; S153-V155 PolarHBondContact O-N 3.13Å; S153-V155 PolarHBondContact OG-N 3.08Å; S153-E156 PolarHBondContact O-N 2.75Å; S153-E156 PolarHBondContact OG-N 3.27Å; S153-R157 WeakPolarHBondContact O-CB 3.27Å; S153-R157 PolarHBondContact O-N 3.25Å
154	R	87.1	Confident	86.6	Confident	204 Å²	204	119 Å²	119	77%	0.77	59%	0.586	S	S	*	*	H	α-helix	trans	-65.1	-29.9	173.3	-82.6	-175.1	148.3	-174.5	-5.8	112.3	P152 R158	P152-R154 PolarHBondContact O-N 3.5Å; R154-R158 WeakPolarHBondContact O-CG 3.45Å; R154-R158 PolarHBondContact O-N 3.22Å
155	V	85.7	Confident	86.6	Confident	88 Å²	88	118.9 Å²	118.9	53%	0.533	58%	0.575	S	S	.	*	H	α-helix	trans	-73.3	-42.4	176.6	178.3	0	0	0	0	109.9	S153 R157 R158 K159	S153-V155 PolarHBondContact O-N 3.13Å; S153-V155 PolarHBondContact OG-N 3.08Å; V155-R157 VanDerWaalsContact C-N 3.35Å; V155-R158 CarbonylContact O-C 3.53Å; V155-R158 PolarHBondContact O-N 2.89Å; V155-R158 VanDerWaalsContact O-N 3.16Å; V155-K159 WeakPolarHBondContact O-CB 3.08Å; V155-K159 WeakPolarHBondContact O-CG 3.33Å; V155-K159 PolarHBondContact O-N 3.48Å
156	E	87.3	Confident	86.6	Confident	116 Å²	116	115.4 Å²	115.4	54%	0.542	56%	0.562	S	S	.	*	H	α-helix	trans	-61.3	-46.1	171.4	-172.4	-176.7	-179.7	0	0	110.2	S153 R158 K159 V160	S153-E156 PolarHBondContact O-N 2.75Å; S153-E156 PolarHBondContact OG-N 3.27Å; E156-R158 VanDerWaalsContact C-N 3.28Å; E156-R158 PolarHBondContact O-N 2.87Å; E156-K159 CarbonylContact O-C 3.59Å; E156-K159 PolarHBondContact O-N 3.3Å; E156-K159 VanDerWaalsContact O-N 3.12Å; E156-V160 HydrophobicContact CG-CG2 4.1Å; E156-V160 VanDerWaalsContact O-CB 3.27Å; E156-V160 WeakPolarHBondContact O-CB 3.14Å; E156-V160 VanDerWaalsContact O-CG2 3.23Å; E156-V160 WeakPolarHBondContact O-CG2 3.41Å; E156-V160 PolarHBondContact O-N 2.6Å
157	R	89.4	Confident	86.5	Confident	198 Å²	198	117.4 Å²	117.4	75%	0.747	57%	0.57	S	S	*	*	H	α-helix	trans	-57.1	-39	172.5	-178.6	177.9	166.5	147.6	-1.3	112.3	S153 V155 S161	S153-R157 WeakPolarHBondContact O-CB 3.27Å; S153-R157 PolarHBondContact O-N 3.25Å; V155-R157 VanDerWaalsContact C-N 3.35Å; R157-S161 WeakPolarHBondContact O-CA 3.27Å; R157-S161 WeakPolarHBondContact O-CB 3.45Å; R157-S161 PolarHBondContact O-N 3.33Å
158	R	88.4	Confident	86.5	Confident	180 Å²	180	116 Å²	116	68%	0.679	56%	0.564	S	S	*	*	H	α-helix	trans	-68	-44.9	173.5	-81	-174.1	-159.3	164.9	4.9	111.9	R154 V155 E156 S161 M162	R154-R158 WeakPolarHBondContact O-CG 3.45Å; R154-R158 PolarHBondContact O-N 3.22Å; V155-R158 CarbonylContact O-C 3.53Å; V155-R158 PolarHBondContact O-N 2.89Å; V155-R158 VanDerWaalsContact O-N 3.16Å; E156-R158 VanDerWaalsContact C-N 3.28Å; E156-R158 PolarHBondContact O-N 2.87Å; R158-S161 CarbonylContact O-C 3.58Å; R158-S161 WeakPolarHBondContact O-CB 3.45Å; R158-S161 PolarHBondContact O-N 2.87Å; R158-M162 WeakPolarHBondContact O-CB 3.3Å; R158-M162 VanDerWaalsContact O-CG 3.31Å; R158-M162 WeakPolarHBondContact O-CG 3.1Å; R158-M162 PolarHBondContact O-N 3.42Å
159	K	87.7	Confident	86.4	Confident	134 Å²	134	110.9 Å²	110.9	58%	0.583	55%	0.55	S	S	*	*	H	α-helix	trans	-63.6	-46.7	177.4	-76.7	-176	178.8	-177.8	0	111	V155 E156 S161 M162 L163	V155-K159 WeakPolarHBondContact O-CB 3.08Å; V155-K159 WeakPolarHBondContact O-CG 3.33Å; V155-K159 PolarHBondContact O-N 3.48Å; E156-K159 CarbonylContact O-C 3.59Å; E156-K159 PolarHBondContact O-N 3.3Å; E156-K159 VanDerWaalsContact O-N 3.12Å; K159-S161 VanDerWaalsContact C-N 3.31Å; K159-S161 PolarHBondContact O-N 3.45Å; K159-M162 CarbonylContact O-C 3.57Å; K159-M162 PolarHBondContact O-N 3.1Å; K159-L163 VanDerWaalsContact O-CB 3.29Å; K159-L163 WeakPolarHBondContact O-CB 3.21Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.39Å; K159-L163 PolarHBondContact O-N 3.06Å
160	V	87.3	Confident	86.4	Confident	74 Å²	74	112.8 Å²	112.8	45%	0.448	55%	0.551	S	S	.	*	H	α-helix	trans	-60.1	-42.1	171.3	174	0	0	0	0	109.6	E156 M162 L163 L164	E156-V160 HydrophobicContact CG-CG2 4.1Å; E156-V160 VanDerWaalsContact O-CB 3.27Å; E156-V160 WeakPolarHBondContact O-CB 3.14Å; E156-V160 VanDerWaalsContact O-CG2 3.23Å; E156-V160 WeakPolarHBondContact O-CG2 3.41Å; E156-V160 PolarHBondContact O-N 2.6Å; V160-M162 PolarHBondContact O-N 2.99Å; V160-L163 PolarHBondContact O-N 2.99Å; V160-L164 WeakPolarHBondContact O-CA 3.41Å; V160-L164 WeakPolarHBondContact O-CB 3.28Å; V160-L164 PolarHBondContact O-N 3.05Å
161	S	87.8	Confident	86.2	Confident	64 Å²	64	113.3 Å²	113.3	45%	0.448	55%	0.552	S	S	.	*	H	α-helix	trans	-64.4	-39.3	174.6	-172.8	0	0	0	0	112.5	R157 R158 K159 L164 Q165	R157-S161 WeakPolarHBondContact O-CA 3.27Å; R157-S161 WeakPolarHBondContact O-CB 3.45Å; R157-S161 PolarHBondContact O-N 3.33Å; R158-S161 CarbonylContact O-C 3.58Å; R158-S161 WeakPolarHBondContact O-CB 3.45Å; R158-S161 PolarHBondContact O-N 2.87Å; K159-S161 VanDerWaalsContact C-N 3.31Å; K159-S161 PolarHBondContact O-N 3.45Å; S161-L164 PolarHBondContact O-N 2.93Å; S161-Q165 WeakPolarHBondContact O-CB 3.45Å; S161-Q165 PolarHBondContact O-N 2.86Å
162	M	87.2	Confident	86	Confident	129 Å²	129	117.8 Å²	117.8	64%	0.635	56%	0.561	S	S	*	*	H	α-helix	trans	-69.2	-42.4	176.2	-75.7	179.4	73.5	0	0	111.3	R158 K159 V160 L164 Q165 S166	R158-M162 WeakPolarHBondContact O-CB 3.3Å; R158-M162 VanDerWaalsContact O-CG 3.31Å; R158-M162 WeakPolarHBondContact O-CG 3.1Å; R158-M162 PolarHBondContact O-N 3.42Å; K159-M162 CarbonylContact O-C 3.57Å; K159-M162 PolarHBondContact O-N 3.1Å; V160-M162 PolarHBondContact O-N 2.99Å; M162-L164 VanDerWaalsContact C-N 3.34Å; M162-Q165 CarbonylContact O-C 3.49Å; M162-Q165 PolarHBondContact O-N 3.36Å; M162-S166 WeakPolarHBondContact O-CB 3.36Å; M162-S166 PolarHBondContact O-N 3.11Å; M162-S166 PolarHBondContact O-OG 3.28Å
163	L	86.5	Confident	85.7	Confident	103 Å²	103	116.3 Å²	116.3	54%	0.539	55%	0.547	S	S	.	.	H	α-helix	trans	-67.1	-37.5	173.9	-74.6	172	0	0	0	110.9	K159 V160 Q165 S166 L167	K159-L163 VanDerWaalsContact O-CB 3.29Å; K159-L163 WeakPolarHBondContact O-CB 3.21Å; K159-L163 VanDerWaalsContact O-CG 3.29Å; K159-L163 WeakPolarHBondContact O-CG 3.39Å; K159-L163 PolarHBondContact O-N 3.06Å; V160-L163 PolarHBondContact O-N 2.99Å; L163-Q165 VanDerWaalsContact C-N 3.35Å; L163-S166 WeakPolarHBondContact CA-OG 3.43Å; L163-S166 PolarHBondContact O-N 3.5Å; L163-S166 PolarHBondContact O-OG 3.49Å; L163-L167 WeakPolarHBondContact O-CA 3.24Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CD1 3.4Å; L163-L167 WeakPolarHBondContact O-CG 3.42Å; L163-L167 PolarHBondContact O-N 2.83Å
164	L	86.8	Confident	85.5	Confident	82 Å²	82	115.5 Å²	115.5	43%	0.429	54%	0.543	S	S	.	.	H	α-helix	trans	-72.1	-35	176.3	-165.3	157	0	0	0	109.6	V160 S161 M162 K168	V160-L164 WeakPolarHBondContact O-CA 3.41Å; V160-L164 WeakPolarHBondContact O-CB 3.28Å; V160-L164 PolarHBondContact O-N 3.05Å; S161-L164 PolarHBondContact O-N 2.93Å; M162-L164 VanDerWaalsContact C-N 3.34Å; L164-K168 HydrophobicContact CD2-CD 3.68Å; L164-K168 HydrophobicContact CD2-CG 4.14Å; L164-K168 WeakPolarHBondContact O-CB 3.35Å; L164-K168 WeakPolarHBondContact O-CG 3.41Å; L164-K168 PolarHBondContact O-N 2.63Å
165	Q	85.9	Confident	85.2	Confident	114 Å²	114	107.8 Å²	107.8	53%	0.533	52%	0.523	S	S	.	.	H	α-helix	trans	-69.7	-41.4	171.6	-170.7	170.5	3.6	0	0	111.3	S161 M162 L163 K168 I169	S161-Q165 WeakPolarHBondContact O-CB 3.45Å; S161-Q165 PolarHBondContact O-N 2.86Å; M162-Q165 CarbonylContact O-C 3.49Å; M162-Q165 PolarHBondContact O-N 3.36Å; L163-Q165 VanDerWaalsContact C-N 3.35Å; Q165-K168 PolarHBondContact O-N 3.29Å; Q165-I169 HydrophobicContact CG-CD1 4.06Å; Q165-I169 WeakPolarHBondContact O-CB 3.36Å; Q165-I169 WeakPolarHBondContact O-CD1 3.43Å; Q165-I169 WeakPolarHBondContact O-CG1 3.48Å; Q165-I169 PolarHBondContact O-N 2.72Å
166	S	83.8	Confident	85	Confident	56 Å²	56	106.7 Å²	106.7	39%	0.392	51%	0.512	S	S	.	.	H	α-helix	trans	-72.1	-33.3	176.1	74.1	0	0	0	0	111.8	M162 L163 I169 H170	M162-S166 WeakPolarHBondContact O-CB 3.36Å; M162-S166 PolarHBondContact O-N 3.11Å; M162-S166 PolarHBondContact O-OG 3.28Å; L163-S166 WeakPolarHBondContact CA-OG 3.43Å; L163-S166 PolarHBondContact O-N 3.5Å; L163-S166 PolarHBondContact O-OG 3.49Å; S166-I169 CarbonylContact O-C 3.57Å; S166-I169 PolarHBondContact O-N 3.47Å; S166-H170 WeakPolarHBondContact O-CA 3.47Å; S166-H170 WeakPolarHBondContact O-CB 3.28Å; S166-H170 PolarHBondContact O-N 2.82Å
167	L	85.1	Confident	84.7	Confident	100 Å²	100	109.6 Å²	109.6	52%	0.524	52%	0.518	S	S	.	.	H	α-helix	trans	-72.5	-34.8	170.6	-76.9	168.7	0	0	0	111	L163 K171	L163-L167 WeakPolarHBondContact O-CA 3.24Å; L163-L167 WeakPolarHBondContact O-CB 3.49Å; L163-L167 WeakPolarHBondContact O-CD1 3.4Å; L163-L167 WeakPolarHBondContact O-CG 3.42Å; L163-L167 PolarHBondContact O-N 2.83Å; L167-K171 WeakPolarHBondContact O-CA 3.41Å; L167-K171 WeakPolarHBondContact O-CB 3.49Å; L167-K171 VanDerWaalsContact O-CG 3.26Å; L167-K171 WeakPolarHBondContact O-CG 3.44Å; L167-K171 PolarHBondContact O-N 3.35Å
168	K	85	Confident	84.1	Confident	143 Å²	143	106 Å²	106	62%	0.622	51%	0.51	S	S	*	.	H	α-helix	trans	-66	-45.2	170.2	-84.1	176.5	175.4	172.5	0	110.5	L164 Q165 R172	L164-K168 HydrophobicContact CD2-CD 3.68Å; L164-K168 HydrophobicContact CD2-CG 4.14Å; L164-K168 WeakPolarHBondContact O-CB 3.35Å; L164-K168 WeakPolarHBondContact O-CG 3.41Å; L164-K168 PolarHBondContact O-N 2.63Å; Q165-K168 PolarHBondContact O-N 3.29Å; K168-R172 WeakPolarHBondContact O-CB 3.26Å; K168-R172 PolarHBondContact O-N 3.21Å
169	I	84.1	Confident	83.7	Confident	86 Å²	86	105 Å²	105	44%	0.441	51%	0.506	S	S	.	.	H	α-helix	trans	-64.9	-41.9	174.7	-70.5	164	0	0	0	110.1	Q165 S166 R172 L173	Q165-I169 HydrophobicContact CG-CD1 4.06Å; Q165-I169 WeakPolarHBondContact O-CB 3.36Å; Q165-I169 WeakPolarHBondContact O-CD1 3.43Å; Q165-I169 WeakPolarHBondContact O-CG1 3.48Å; Q165-I169 PolarHBondContact O-N 2.72Å; S166-I169 CarbonylContact O-C 3.57Å; S166-I169 PolarHBondContact O-N 3.47Å; I169-R172 CarbonylContact O-C 3.6Å; I169-R172 WeakPolarHBondContact O-CB 3.46Å; I169-R172 PolarHBondContact O-N 2.85Å; I169-L173 HydrophobicContact CG2-CD1 3.59Å; I169-L173 HydrophobicContact CG2-CG 4.01Å; I169-L173 VanDerWaalsContact O-CB 3.24Å; I169-L173 WeakPolarHBondContact O-CB 3.37Å; I169-L173 VanDerWaalsContact O-CG 3.23Å; I169-L173 WeakPolarHBondContact O-CG 3.46Å; I169-L173 PolarHBondContact O-N 3.41Å
170	H	82.7	Confident	83.2	Confident	115 Å²	115	105.5 Å²	105.5	53%	0.532	51%	0.508	S	S	.	.	H	α-helix	trans	-72.5	-39.9	-179.9	-171.6	82	0	0	0	110.7	S166 R172 L173 A174	S166-H170 WeakPolarHBondContact O-CA 3.47Å; S166-H170 WeakPolarHBondContact O-CB 3.28Å; S166-H170 PolarHBondContact O-N 2.82Å; H170-R172 VanDerWaalsContact C-N 3.3Å; H170-R172 PolarHBondContact O-N 3.19Å; H170-L173 PolarHBondContact O-N 3.25Å; H170-A174 WeakPolarHBondContact O-CA 3.31Å; H170-A174 WeakPolarHBondContact O-CB 3.21Å; H170-A174 PolarHBondContact O-N 2.93Å
171	K	82.3	Confident	82.5	Confident	160 Å²	160	110.2 Å²	110.2	70%	0.696	52%	0.523	S	S	*	.	H	α-helix	trans	-61.9	-40.1	169	-80.9	-173.1	174.8	-173	0	110.7	L167 A175	L167-K171 WeakPolarHBondContact O-CA 3.41Å; L167-K171 WeakPolarHBondContact O-CB 3.49Å; L167-K171 VanDerWaalsContact O-CG 3.26Å; L167-K171 WeakPolarHBondContact O-CG 3.44Å; L167-K171 PolarHBondContact O-N 3.35Å; K171-A175 WeakPolarHBondContact O-CB 3.5Å; K171-A175 PolarHBondContact O-N 3.24Å
172	R	81.7	Confident	81.8	Confident	168 Å²	168	114.3 Å²	114.3	63%	0.634	54%	0.535	S	S	*	.	H	α-helix	trans	-66	-46.5	174.5	-179.9	-178.4	169	168.8	1.1	111.9	K168 I169 H170 A175 E176	K168-R172 WeakPolarHBondContact O-CB 3.26Å; K168-R172 PolarHBondContact O-N 3.21Å; I169-R172 CarbonylContact O-C 3.6Å; I169-R172 WeakPolarHBondContact O-CB 3.46Å; I169-R172 PolarHBondContact O-N 2.85Å; H170-R172 VanDerWaalsContact C-N 3.3Å; H170-R172 PolarHBondContact O-N 3.19Å; R172-A175 CarbonylContact O-C 3.58Å; R172-A175 PolarHBondContact O-N 2.87Å; R172-E176 HydrophobicContact CG-CG 4.46Å; R172-E176 IonicContact CZ-OE1 2.6Å; R172-E176 IonicContact NE-OE1 3.53Å; R172-E176 PolarHBondContact NE-OE1 2.82Å; R172-E176 IonicContact NH2-OE1 2.77Å; R172-E176 PolarHBondContact NH2-OE1 2.83Å; R172-E176 VanDerWaalsContact O-CB 3.29Å; R172-E176 WeakPolarHBondContact O-CB 3.32Å; R172-E176 VanDerWaalsContact O-CG 3.3Å; R172-E176 WeakPolarHBondContact O-CG 3.45Å; R172-E176 PolarHBondContact O-N 3.34Å
173	L	81.2	Confident	81.1	Confident	80 Å²	80	115 Å²	115	42%	0.419	54%	0.536	S	S	.	.	H	α-helix	trans	-71.3	-33.8	179.1	-75.2	174.2	0	0	0	111.6	I169 H170 E176 R177	I169-L173 HydrophobicContact CG2-CD1 3.59Å; I169-L173 HydrophobicContact CG2-CG 4.01Å; I169-L173 VanDerWaalsContact O-CB 3.24Å; I169-L173 WeakPolarHBondContact O-CB 3.37Å; I169-L173 VanDerWaalsContact O-CG 3.23Å; I169-L173 WeakPolarHBondContact O-CG 3.46Å; I169-L173 PolarHBondContact O-N 3.41Å; H170-L173 PolarHBondContact O-N 3.25Å; L173-E176 CarbonylContact O-C 3.54Å; L173-R177 WeakPolarHBondContact O-CA 3.19Å; L173-R177 WeakPolarHBondContact O-CB 3.39Å; L173-R177 WeakPolarHBondContact O-CG 3.3Å; L173-R177 PolarHBondContact O-N 2.84Å
174	A	81.5	Confident	80.3	Confident	31 Å²	31	112.4 Å²	112.4	26%	0.256	53%	0.53	S	S	.	.	H	α-helix	trans	-71.2	-41.3	173	0	0	0	0	0	109.8	H170 R177 Q178	H170-A174 WeakPolarHBondContact O-CA 3.31Å; H170-A174 WeakPolarHBondContact O-CB 3.21Å; H170-A174 PolarHBondContact O-N 2.93Å; A174-R177 CarbonylContact O-C 3.5Å; A174-R177 PolarHBondContact O-N 3.19Å; A174-Q178 VanDerWaalsContact O-CB 3.31Å; A174-Q178 WeakPolarHBondContact O-CB 3.27Å; A174-Q178 PolarHBondContact O-N 3.35Å
175	A	82.5	Confident	79.8	Confident	42 Å²	42	113 Å²	113	35%	0.347	54%	0.539	S	S	.	.	H	α-helix	trans	-66.1	-37.6	170.3	0	0	0	0	0	111.8	K171 R172 Q178 R179	K171-A175 WeakPolarHBondContact O-CB 3.5Å; K171-A175 PolarHBondContact O-N 3.24Å; R172-A175 CarbonylContact O-C 3.58Å; R172-A175 PolarHBondContact O-N 2.87Å; A175-Q178 PolarHBondContact O-N 2.88Å; A175-R179 VanDerWaalsContact O-CB 3.22Å; A175-R179 WeakPolarHBondContact O-CB 3.27Å; A175-R179 WeakPolarHBondContact O-CG 3.4Å; A175-R179 PolarHBondContact O-N 3.42Å
176	E	81.2	Confident	79.4	Confident	66 Å²	66	113.5 Å²	113.5	31%	0.308	55%	0.55	S	S	.	.	H	α-helix	trans	-70.5	-33.9	173.2	-80.1	175.3	-167.5	0	0	111.2	R172 L173 K180	R172-E176 HydrophobicContact CG-CG 4.46Å; R172-E176 IonicContact CZ-OE1 2.6Å; R172-E176 IonicContact NE-OE1 3.53Å; R172-E176 PolarHBondContact NE-OE1 2.82Å; R172-E176 IonicContact NH2-OE1 2.77Å; R172-E176 PolarHBondContact NH2-OE1 2.83Å; R172-E176 VanDerWaalsContact O-CB 3.29Å; R172-E176 WeakPolarHBondContact O-CB 3.32Å; R172-E176 VanDerWaalsContact O-CG 3.3Å; R172-E176 WeakPolarHBondContact O-CG 3.45Å; R172-E176 PolarHBondContact O-N 3.34Å; L173-E176 CarbonylContact O-C 3.54Å; E176-K180 WeakPolarHBondContact O-CB 3.26Å; E176-K180 VanDerWaalsContact O-CG 3.22Å; E176-K180 WeakPolarHBondContact O-CG 3.25Å; E176-K180 PolarHBondContact O-N 3.08Å
177	R	79.8	Confident	79.3	Confident	177 Å²	177	120.2 Å²	120.2	67%	0.668	57%	0.568	S	S	*	*	H	α-helix	trans	-73.8	-36.7	173	-81	174.6	176.7	-173.3	-0.5	111.7	L173 A174 K181	L173-R177 WeakPolarHBondContact O-CA 3.19Å; L173-R177 WeakPolarHBondContact O-CB 3.39Å; L173-R177 WeakPolarHBondContact O-CG 3.3Å; L173-R177 PolarHBondContact O-N 2.84Å; A174-R177 CarbonylContact O-C 3.5Å; A174-R177 PolarHBondContact O-N 3.19Å; R177-K181 VanDerWaalsContact O-CB 3.26Å; R177-K181 WeakPolarHBondContact O-CB 3.42Å; R177-K181 WeakPolarHBondContact O-CG 3.37Å; R177-K181 PolarHBondContact O-N 2.98Å
178	Q	78.4	Confident	79.2	Confident	123 Å²	123	124 Å²	124	58%	0.575	58%	0.576	S	S	*	*	H	α-helix	trans	-65.5	-49.5	170.9	-91.3	173.7	-50.1	0	0	109.4	A174 A175 K180 K181 E182	A174-Q178 VanDerWaalsContact O-CB 3.31Å; A174-Q178 WeakPolarHBondContact O-CB 3.27Å; A174-Q178 PolarHBondContact O-N 3.35Å; A175-Q178 PolarHBondContact O-N 2.88Å; Q178-K180 PolarHBondContact O-N 2.94Å; Q178-K181 CarbonylContact O-C 3.5Å; Q178-K181 WeakPolarHBondContact O-CA 3.37Å; Q178-K181 WeakPolarHBondContact O-CB 3.41Å; Q178-K181 PolarHBondContact O-N 3.15Å; Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 VanDerWaalsContact O-CG 3.26Å; Q178-E182 WeakPolarHBondContact O-CG 3.19Å; Q178-E182 PolarHBondContact O-N 3.47Å
179	R	79.2	Confident	79.1	Confident	159 Å²	159	122.4 Å²	122.4	60%	0.6	58%	0.575	S	S	*	*	H	α-helix	trans	-55.7	-48.1	171.1	-77.8	178.1	174.5	-164.1	-3.5	111.7	A175 K181 E182 E183	A175-R179 VanDerWaalsContact O-CB 3.22Å; A175-R179 WeakPolarHBondContact O-CB 3.27Å; A175-R179 WeakPolarHBondContact O-CG 3.4Å; A175-R179 PolarHBondContact O-N 3.42Å; R179-K181 VanDerWaalsContact C-N 3.3Å; R179-K181 PolarHBondContact O-N 3.17Å; R179-E182 CarbonylContact O-C 3.6Å; R179-E182 PolarHBondContact O-N 2.79Å; R179-E182 VanDerWaalsContact O-N 3.16Å; R179-E183 WeakPolarHBondContact O-CA 3.46Å; R179-E183 WeakPolarHBondContact O-CB 3.48Å; R179-E183 WeakPolarHBondContact O-CG 3.35Å; R179-E183 PolarHBondContact O-N 2.87Å
180	K	76.8	Confident	78.9	Confident	143 Å²	143	123.9 Å²	123.9	62%	0.622	58%	0.583	S	S	*	*	H	α-helix	trans	-65.8	-27.1	175.1	-78.2	-178.7	-180	-173.8	0	113.6	E176 Q178 A184	E176-K180 WeakPolarHBondContact O-CB 3.26Å; E176-K180 VanDerWaalsContact O-CG 3.22Å; E176-K180 WeakPolarHBondContact O-CG 3.25Å; E176-K180 PolarHBondContact O-N 3.08Å; Q178-K180 PolarHBondContact O-N 2.94Å; K180-A184 WeakPolarHBondContact O-CA 3.47Å; K180-A184 WeakPolarHBondContact O-CB 3.3Å; K180-A184 PolarHBondContact O-N 2.78Å
181	K	72.3	Confident	78.9	Confident	174 Å²	174	128.3 Å²	128.3	76%	0.757	60%	0.595	S	S	*	*	H	α-helix	trans	-77.5	-32.7	172	-85.7	-177.1	174.2	-173.5	0	111.8	R177 Q178 R179	R177-K181 VanDerWaalsContact O-CB 3.26Å; R177-K181 WeakPolarHBondContact O-CB 3.42Å; R177-K181 WeakPolarHBondContact O-CG 3.37Å; R177-K181 PolarHBondContact O-N 2.98Å; Q178-K181 CarbonylContact O-C 3.5Å; Q178-K181 WeakPolarHBondContact O-CA 3.37Å; Q178-K181 WeakPolarHBondContact O-CB 3.41Å; Q178-K181 PolarHBondContact O-N 3.15Å; R179-K181 VanDerWaalsContact C-N 3.3Å; R179-K181 PolarHBondContact O-N 3.17Å
182	E	73.9	Confident	78.7	Confident	150 Å²	150	124.2 Å²	124.2	70%	0.701	59%	0.591	S	S	*	*	H	α-helix	trans	-76.4	-34.5	174.4	-71.6	168.6	-174	0	0	111.4	Q178 R179	Q178-E182 WeakPolarHBondContact O-CB 3.45Å; Q178-E182 VanDerWaalsContact O-CG 3.26Å; Q178-E182 WeakPolarHBondContact O-CG 3.19Å; Q178-E182 PolarHBondContact O-N 3.47Å; R179-E182 CarbonylContact O-C 3.6Å; R179-E182 PolarHBondContact O-N 2.79Å; R179-E182 VanDerWaalsContact O-N 3.16Å
183	E	72.1	Confident	78.3	Confident	142 Å²	142	124.4 Å²	124.4	66%	0.664	60%	0.599	S	S	*	*	H	α-helix	trans	-86.1	-22.4	176.1	-70.4	169.4	-172.6	0	0	112.2	R179 P185	R179-E183 WeakPolarHBondContact O-CA 3.46Å; R179-E183 WeakPolarHBondContact O-CB 3.48Å; R179-E183 WeakPolarHBondContact O-CG 3.35Å; R179-E183 PolarHBondContact O-N 2.87Å; E183-P185 WeakPolarHBondContact O-CD 3.39Å; E183-P185 VanDerWaalsContact O-N 3.14Å
184	A	69.8	Low	77.8	Confident	50 Å²	50	129.1 Å²	129.1	41%	0.413	62%	0.619	S	S	.	*	S	Bend	trans	-59.3	121.5	173	0	0	0	0	0	107	K180 T186	K180-A184 WeakPolarHBondContact O-CA 3.47Å; K180-A184 WeakPolarHBondContact O-CB 3.3Å; K180-A184 PolarHBondContact O-N 2.78Å; A184-T186 PolarHBondContact O-N 2.85Å
185	P	76.1	Confident	77.2	Confident	95 Å²	95	137.2 Å²	137.2	62%	0.617	64%	0.643	S	S	*	*			trans	-61.2	134.1	-178.4	28.8	-35.7	0	0	0	107.7	E183 Y187	E183-P185 WeakPolarHBondContact O-CD 3.39Å; E183-P185 VanDerWaalsContact O-N 3.14Å; P185-Y187 WeakPolarHBondContact CB-O 3.32Å; P185-Y187 PolarHBondContact O-N 2.96Å
186	T	77.8	Confident	76.7	Confident	124 Å²	124	141.9 Å²	141.9	76%	0.761	67%	0.667	S	S	*	*	S	Bend	trans	-56.6	-20.1	174.9	27.7	0	0	0	0	112.2	A184	A184-T186 PolarHBondContact O-N 2.85Å
187	Y	82.5	Confident	76.6	Confident	197 Å²	197	146.5 Å²	146.5	77%	0.773	69%	0.689	S	S	*	*			trans	-130.3	135.1	178.8	-47.5	-73.2	0	0	0	110	P185	P185-Y187 WeakPolarHBondContact CB-O 3.32Å; P185-Y187 PolarHBondContact O-N 2.96Å
188	Y	81.9	Confident	76.6	Confident	179 Å²	179	143.5 Å²	143.5	70%	0.702	69%	0.692	S	S	*	*			trans	-125.3	149.7	170.5	60.2	-83.8	0	0	0	108.8	L190	Y188-L190 HydrophobicContact CD2-CD2 4.31Å; Y188-L190 HydrophobicContact CD2-CG 4.43Å; Y188-L190 HydrophobicContact CE2-CD2 3.46Å; Y188-L190 VanDerWaalsContact CE2-CD2 3.46Å; Y188-L190 HydrophobicContact CE2-CG 3.94Å; Y188-L190 PolarHBondContact O-N 3.3Å
189	D	83.1	Confident	76.8	Confident	109 Å²	109	140.8 Å²	140.8	58%	0.583	68%	0.681	S	S	*	*			trans	-82.8	108.9	-179.2	-173.6	4.9	0	0	0	110.5	W191 A192	D189-W191 PolarHBondContact O-N 2.88Å; D189-W191 PolarHBondContact OD1-N 3.03Å; D189-A192 HydrophobicContact CB-CB 4.01Å
190	L	80.8	Confident	77.2	Confident	117 Å²	117	136.3 Å²	136.3	61%	0.613	67%	0.674	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.8	-18.1	176.4	-73.8	163.3	0	0	0	113.1	Y188	Y188-L190 HydrophobicContact CD2-CD2 4.31Å; Y188-L190 HydrophobicContact CD2-CG 4.43Å; Y188-L190 HydrophobicContact CE2-CD2 3.46Å; Y188-L190 VanDerWaalsContact CE2-CD2 3.46Å; Y188-L190 HydrophobicContact CE2-CG 3.94Å; Y188-L190 PolarHBondContact O-N 3.3Å
191	W	81.6	Confident	77.6	Confident	209 Å²	209	138.3 Å²	138.3	79%	0.792	68%	0.683	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111	4.1	-173.7	-54.4	123.1	0	0	0	113.8	D189 E193	D189-W191 PolarHBondContact O-N 2.88Å; D189-W191 PolarHBondContact OD1-N 3.03Å; W191-E193 PolarHBondContact O-N 3.13Å
192	A	77.6	Confident	78.3	Confident	73 Å²	73	132.9 Å²	132.9	60%	0.603	67%	0.667	S	S	*	*	S	Bend	trans	-61	-32	179.9	0	0	0	0	0	112.7	D189	D189-A192 HydrophobicContact CB-CB 4.01Å
193	E	74.5	Confident	78.8	Confident	173 Å²	173	129 Å²	129	81%	0.808	65%	0.649	S	S	*	*	S	Bend	trans	-96.8	103	175.9	-66	-179.6	178.7	0	0	110	W191 R195	W191-E193 PolarHBondContact O-N 3.13Å; E193-R195 PolarHBondContact O-N 2.83Å; E193-R195 VanDerWaalsContact O-N 3.15Å
194	E	71.5	Confident	79.5	Confident	179 Å²	179	127.7 Å²	127.7	84%	0.836	64%	0.641	S	S	*	*			trans	-60.3	117.7	163	-76.2	-169.7	162.6	0	0	108.3	T196	E194-T196 PolarHBondContact O-N 2.89Å
195	R	68.2	Low	80.2	Confident	200 Å²	200	127.9 Å²	127.9	76%	0.755	64%	0.642	S	S	*	*			trans	-58.6	108	178.4	-73	-176.6	178.1	-166.1	-3.2	109.9	E193 E203	E193-R195 PolarHBondContact O-N 2.83Å; E193-R195 VanDerWaalsContact O-N 3.15Å; R195-E203 IonicContact NH1-OE1 2.86Å
196	T	70.8	Confident	80.6	Confident	141 Å²	141	132.6 Å²	132.6	87%	0.865	65%	0.648	S	S	*	*			trans	-81.1	-18.5	175.1	44	0	0	0	0	112.7	E194	E194-T196 PolarHBondContact O-N 2.89Å
197	E	79.5	Confident	80.9	Confident	163 Å²	163	131 Å²	131	76%	0.762	63%	0.634	S	S	*	*	S	Bend	trans	-76.6	139.3	-178.4	-64.5	-175.5	172.9	0	0	113.2	L199	E197-L199 PolarHBondContact O-N 3.32Å
198	P	80.5	Confident	80.9	Confident	113 Å²	113	129.4 Å²	129.4	73%	0.734	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-66.9	124.9	177.1	27.4	-33.3	0	0	0	111	S200	P198-S200 PolarHBondContact O-N 3.11Å
199	L	83.2	Confident	80.8	Confident	67 Å²	67	128 Å²	128	35%	0.351	63%	0.633	S	S	.	*	P	Polyproline II helix	trans	-47.9	137.9	175.2	-71.1	158.4	0	0	0	112.3	E197 E203 K204 L207	E197-L199 PolarHBondContact O-N 3.32Å; L199-E203 WeakPolarHBondContact CA-OE2 3.39Å; L199-E203 HydrophobicContact CB-CB 4.28Å; L199-E203 HydrophobicContact CD2-CB 3.98Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.4Å; L199-K204 HydrophobicContact CB-CD 4.45Å; L199-K204 HydrophobicContact CB-CG 3.79Å; L199-K204 WeakPolarHBondContact O-CE 3.33Å; L199-K204 PolarHBondContact O-NZ 3.1Å; L199-L207 HydrophobicContact CD1-CD1 3.71Å; L199-L207 HydrophobicContact CD2-CD1 4.49Å
200	S	86.1	Confident	80.9	Confident	64 Å²	64	130.9 Å²	130.9	45%	0.448	64%	0.635	S	S	.	*	P	Polyproline II helix	trans	-59.7	154.4	174.7	178.3	0	0	0	0	111.1	P198 S202 E203 K204	P198-S200 PolarHBondContact O-N 3.11Å; S200-S202 PolarHBondContact O-N 3.42Å; S200-S202 PolarHBondContact OG-OG 2.99Å; S200-E203 PolarHBondContact N-OE2 3.3Å; S200-E203 PolarHBondContact O-N 3.28Å; S200-E203 VanDerWaalsContact O-N 3.07Å; S200-K204 PolarHBondContact O-N 3.44Å
201	K	85.3	Confident	81.2	Confident	186 Å²	186	128 Å²	128	81%	0.809	62%	0.62	S	S	*	*	H	α-helix	trans	-55.4	-36.3	177.5	-171.1	178.3	-179.8	-179.2	0	111.7	A205	K201-A205 WeakPolarHBondContact O-CB 3.24Å; K201-A205 PolarHBondContact O-N 2.99Å
202	S	86.8	Confident	81.5	Confident	60 Å²	60	122.2 Å²	122.2	42%	0.42	61%	0.61	S	S	.	*	H	α-helix	trans	-67.2	-42.4	177	60.4	0	0	0	0	112.2	S200 A205 R206	S200-S202 PolarHBondContact O-N 3.42Å; S200-S202 PolarHBondContact OG-OG 2.99Å; S202-A205 PolarHBondContact O-N 2.71Å; S202-R206 WeakPolarHBondContact O-CG 3.26Å; S202-R206 PolarHBondContact O-N 2.82Å
203	E	85.8	Confident	82	Confident	68 Å²	68	120.3 Å²	120.3	32%	0.318	59%	0.594	S	S	.	*	H	α-helix	trans	-66.7	-45.3	177.6	-63.8	177.6	134.5	0	0	111.2	R195 L199 S200 A205 R206 L207	R195-E203 IonicContact NH1-OE1 2.86Å; L199-E203 WeakPolarHBondContact CA-OE2 3.39Å; L199-E203 HydrophobicContact CB-CB 4.28Å; L199-E203 HydrophobicContact CD2-CB 3.98Å; L199-E203 WeakPolarHBondContact CD2-OE2 3.4Å; S200-E203 PolarHBondContact N-OE2 3.3Å; S200-E203 PolarHBondContact O-N 3.28Å; S200-E203 VanDerWaalsContact O-N 3.07Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.31Å; E203-R206 PolarHBondContact O-N 3.05Å; E203-L207 WeakPolarHBondContact O-CG 3.31Å; E203-L207 PolarHBondContact O-N 2.81Å
204	K	86.4	Confident	82.6	Confident	115 Å²	115	116 Å²	116	50%	0.5	58%	0.582	S	S	.	*	H	α-helix	trans	-56.6	-42.5	173.4	-72.3	175.6	176.7	163.6	0	111.6	L199 S200 L207 K208	L199-K204 HydrophobicContact CB-CD 4.45Å; L199-K204 HydrophobicContact CB-CG 3.79Å; L199-K204 WeakPolarHBondContact O-CE 3.33Å; L199-K204 PolarHBondContact O-NZ 3.1Å; S200-K204 PolarHBondContact O-N 3.44Å; K204-L207 PolarHBondContact O-N 3.33Å; K204-K208 WeakPolarHBondContact O-CB 3.46Å; K204-K208 PolarHBondContact O-N 3.02Å
205	A	84.1	Confident	83.5	Confident	53 Å²	53	116.7 Å²	116.7	44%	0.438	58%	0.583	S	S	.	*	H	α-helix	trans	-65.6	-44.3	177.4	0	0	0	0	0	112.6	K201 S202 E203 L207 K208 M209	K201-A205 WeakPolarHBondContact O-CB 3.24Å; K201-A205 PolarHBondContact O-N 2.99Å; S202-A205 PolarHBondContact O-N 2.71Å; E203-A205 VanDerWaalsContact C-N 3.29Å; E203-A205 PolarHBondContact O-N 3.31Å; A205-L207 VanDerWaalsContact C-N 3.33Å; A205-L207 PolarHBondContact O-N 3.01Å; A205-K208 PolarHBondContact O-N 2.89Å; A205-M209 PolarHBondContact O-N 2.89Å; A205-M209 VanDerWaalsContact O-N 3.14Å
206	R	85.1	Confident	84.4	Confident	194 Å²	194	112.5 Å²	112.5	73%	0.732	57%	0.573	S	S	*	*	H	α-helix	trans	-60.3	-42.7	175.7	-72.1	174.5	-175	-179.5	2.2	111.7	S202 E203 M209 R210	S202-R206 WeakPolarHBondContact O-CG 3.26Å; S202-R206 PolarHBondContact O-N 2.82Å; E203-R206 PolarHBondContact O-N 3.05Å; R206-M209 PolarHBondContact O-N 3.24Å; R206-R210 PolarHBondContact O-N 3.43Å; R206-R210 VanDerWaalsContact O-N 3.11Å
207	L	84	Confident	85.3	Confident	91 Å²	91	115.1 Å²	115.1	48%	0.476	57%	0.572	S	S	.	*	H	α-helix	trans	-65.4	-39.4	177.2	-71	171	0	0	0	112.4	L199 E203 K204 A205 M209 R210	L199-L207 HydrophobicContact CD1-CD1 3.71Å; L199-L207 HydrophobicContact CD2-CD1 4.49Å; E203-L207 WeakPolarHBondContact O-CG 3.31Å; E203-L207 PolarHBondContact O-N 2.81Å; K204-L207 PolarHBondContact O-N 3.33Å; A205-L207 VanDerWaalsContact C-N 3.33Å; A205-L207 PolarHBondContact O-N 3.01Å; L207-M209 PolarHBondContact O-N 2.97Å; L207-R210 WeakPolarHBondContact O-CB 3.32Å; L207-R210 PolarHBondContact O-N 2.92Å
208	K	82	Confident	85.8	Confident	163 Å²	163	114.8 Å²	114.8	71%	0.709	58%	0.575	S	S	*	*	H	α-helix	trans	-63.6	-40.8	178.1	-172.6	177.1	-179.8	180	0	112.7	K204 A205 R288	K204-K208 WeakPolarHBondContact O-CB 3.46Å; K204-K208 PolarHBondContact O-N 3.02Å; A205-K208 PolarHBondContact O-N 2.89Å; K208-R288 PolarHBondContact O-NH2 2.94Å
209	M	80.2	Confident	86.3	Confident	150 Å²	150	114.5 Å²	114.5	74%	0.739	57%	0.573	S	S	*	*	H	α-helix	trans	-82.1	-14.7	-178.4	-64.5	-59	-73	0	0	113.5	A205 R206 L207 I211	A205-M209 PolarHBondContact O-N 2.89Å; A205-M209 VanDerWaalsContact O-N 3.14Å; R206-M209 PolarHBondContact O-N 3.24Å; L207-M209 PolarHBondContact O-N 2.97Å; M209-I211 PolarHBondContact O-N 2.91Å
210	R	85.3	Confident	86.7	Confident	169 Å²	169	113.1 Å²	113.1	64%	0.638	58%	0.575	S	S	*	*			trans	-60.6	123.7	176.7	-174.7	179	172.4	-154.7	-0.1	110.5	R206 L207 R288	R206-R210 PolarHBondContact O-N 3.43Å; R206-R210 VanDerWaalsContact O-N 3.11Å; L207-R210 WeakPolarHBondContact O-CB 3.32Å; L207-R210 PolarHBondContact O-N 2.92Å; R210-R288 PolarHBondContact O-NH2 3.48Å
211	I	87.2	Confident	87	Confident	58 Å²	58	116 Å²	116	30%	0.297	58%	0.581	S	S	.	*			trans	-95.3	110.9	167.8	-57	175.2	0	0	0	106.5	M209 R286 R288	M209-I211 PolarHBondContact O-N 2.91Å; I211-R286 HydrophobicContact CB-CB 4.22Å; I211-R286 VanDerWaalsContact CD1-O 3.29Å; I211-R286 WeakPolarHBondContact CD1-O 3.29Å; I211-R286 HydrophobicContact CG2-CB 3.75Å; I211-R288 HydrophobicContact CD1-CG 4.33Å; I211-R288 HydrophobicContact CG1-CG 4.23Å; I211-R288 HydrophobicContact CG2-CG 4.29Å
212	P	86.7	Confident	87.3	Confident	87 Å²	87	107.8 Å²	107.8	57%	0.565	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-60.9	147.9	-179.2	26.8	-33.8	0	0	0	109.7
213	A	88.8	Confident	87.4	Confident	33 Å²	33	110.2 Å²	110.2	27%	0.273	55%	0.553	S	S	.	*	P	Polyproline II helix	trans	-58.8	147.7	169.5	0	0	0	0	0	109.9	K215 L281	A213-K215 PolarHBondContact O-N 2.71Å; A213-L281 HydrophobicContact CB-CD2 3.43Å; A213-L281 VanDerWaalsContact CB-CD2 3.43Å
214	S	87.4	Confident	87.7	Confident	81 Å²	81	109 Å²	109	57%	0.566	55%	0.552	S	S	*	*	P	Polyproline II helix	trans	-55.2	136.9	168.6	49.2	0	0	0	0	109.3	R277	S214-R277 PolarHBondContact O-NH2 2.91Å
215	K	89.8	Confident	88	Confident	195 Å²	195	107.9 Å²	107.9	85%	0.848	55%	0.545	S	S	*	.	P	Polyproline II helix	trans	-77.9	150	170.6	-63.8	-177.1	-179.7	-177	0	108.7	A213	A213-K215 PolarHBondContact O-N 2.71Å
216	M	87.5	Confident	88.4	Confident	111 Å²	111	108.8 Å²	108.8	55%	0.547	54%	0.543	S	S	.	.	P	Polyproline II helix	trans	-62.9	147.6	169	-65.5	-179.5	-62.9	0	0	109	R274 R277	M216-R274 PolarHBondContact SD-NH1 2.93Å; M216-R277 HydrophobicContact SD-CG 4.31Å
217	K	88.7	Confident	88.8	Confident	196 Å²	196	99.6 Å²	99.6	85%	0.852	51%	0.508	S	S	*	.	P	Polyproline II helix	trans	-64.5	147.3	171.4	-66.3	176.4	-175.4	166.7	0	108.5
218	L	91.9	Very high	89.3	Confident	157 Å²	157	97.8 Å²	97.8	82%	0.822	50%	0.502	S	S	*	.	P	Polyproline II helix	trans	-70.3	144.9	171.2	-64.3	170.1	0	0	0	108.8	G220	L218-G220 PolarHBondContact O-N 3.47Å
219	P	90.1	Very high	89.8	Confident	107 Å²	107	94.1 Å²	94.1	70%	0.695	50%	0.496	S	S	*	.	P	Polyproline II helix	trans	-54.5	130	176.5	-27.6	35.9	0	0	0	112	E223	P219-E223 WeakPolarHBondContact CA-OE2 3.34Å; P219-E223 WeakPolarHBondContact CB-OE2 3.33Å
220	G	90.8	Very high	90.4	Very high	37 Å²	37	95.3 Å²	95.3	38%	0.381	50%	0.5	S	S	.	.			trans	-95.6	175.5	177.1	0	0	0	0	0	112.7	L218 A222 E223	L218-G220 PolarHBondContact O-N 3.47Å; G220-A222 PolarHBondContact O-N 3.33Å; G220-E223 PolarHBondContact O-N 3.02Å; G220-E223 VanDerWaalsContact O-N 3.17Å
221	H	92.2	Very high	90.7	Very high	125 Å²	125	92 Å²	92	58%	0.579	49%	0.488	S	S	*	.	G	3₁₀ helix	trans	-65.5	-27	177.5	-63.4	22.5	0	0	0	112.2	E223 S224 P227 Y231	H221-E223 PolarHBondContact O-N 2.98Å; H221-S224 WeakPolarHBondContact O-CB 3.26Å; H221-S224 PolarHBondContact O-N 2.95Å; H221-S224 VanDerWaalsContact O-N 3.14Å; H221-S224 PolarHBondContact O-OG 3.44Å; H221-P227 WeakPolarHBondContact O-CB 3.47Å; H221-Y231 HydrophobicContact CB-CD2 4.48Å; H221-Y231 HydrophobicContact CB-CE1 4.46Å; H221-Y231 HydrophobicContact CB-CE2 3.88Å
222	A	91.8	Very high	91	Very high	14 Å²	14	92.1 Å²	92.1	12%	0.116	49%	0.489	C	S	.	.	G	3₁₀ helix	trans	-61.2	-28.9	174.9	0	0	0	0	0	113.6	G220 Y231 F253 P255	G220-A222 PolarHBondContact O-N 3.33Å; A222-Y231 HydrophobicContact CB-CD1 3.77Å; A222-Y231 HydrophobicContact CB-CE1 4.31Å; A222-Y231 HydrophobicContact CB-CG 4.49Å; A222-F253 HydrophobicContact CB-CZ 4.41Å; A222-F253 WeakPolarHBondContact O-CE2 3.5Å; A222-P255 HydrophobicContact CB-CG 4.24Å
223	E	90.1	Very high	91.2	Very high	110 Å²	110	90 Å²	90	51%	0.514	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	-86.5	-7.9	178.7	-69.6	174.1	-156	0	0	112.7	P219 G220 H221 F253	P219-E223 WeakPolarHBondContact CA-OE2 3.34Å; P219-E223 WeakPolarHBondContact CB-OE2 3.33Å; G220-E223 PolarHBondContact O-N 3.02Å; G220-E223 VanDerWaalsContact O-N 3.17Å; H221-E223 PolarHBondContact O-N 2.98Å; E223-F253 HydrophobicContact CB-CZ 4.23Å; E223-F253 HydrophobicContact CG-CE1 3.6Å; E223-F253 HydrophobicContact CG-CE2 4.19Å; E223-F253 HydrophobicContact CG-CZ 3.28Å
224	S	91.7	Very high	91.5	Very high	44 Å²	44	91.1 Å²	91.1	31%	0.308	48%	0.479	S	S	.	.	S	Bend	trans	-68	149.6	178.6	73	0	0	0	0	110.5	H221 N226 P227	H221-S224 WeakPolarHBondContact O-CB 3.26Å; H221-S224 PolarHBondContact O-N 2.95Å; H221-S224 VanDerWaalsContact O-N 3.14Å; H221-S224 PolarHBondContact O-OG 3.44Å; S224-N226 PolarHBondContact O-N 3.21Å; S224-P227 WeakPolarHBondContact O-CD 3.41Å; S224-P227 VanDerWaalsContact OG-CA 3.3Å; S224-P227 WeakPolarHBondContact OG-CA 3.47Å
225	Y	92.3	Very high	91.8	Very high	91 Å²	91	93.9 Å²	93.9	36%	0.357	49%	0.487	S	S	.	.	S	Bend	trans	-66.3	-19.1	175.8	77.7	-85.5	0	0	0	112.9	Y258 M261 L264	Y225-Y258 PolarHBondContact O-N 2.85Å; Y225-M261 HydrophobicContact CD1-SD 3.4Å; Y225-M261 WeakPolarHBondContact CD1-SD 3.49Å; Y225-M261 HydrophobicContact CD2-SD 4.01Å; Y225-M261 HydrophobicContact CE1-CG 4.26Å; Y225-M261 HydrophobicContact CE1-SD 3.44Å; Y225-M261 WeakPolarHBondContact CE1-SD 3.43Å; Y225-M261 HydrophobicContact CE2-CG 4.29Å; Y225-M261 HydrophobicContact CE2-SD 4.05Å; Y225-M261 HydrophobicContact CG-SD 3.7Å; Y225-L264 HydrophobicContact CG-CD1 4.39Å
226	N	92.9	Very high	92.1	Very high	72 Å²	72	94.2 Å²	94.2	39%	0.385	48%	0.483	S	S	.	.	S	Bend	trans	-132.6	67.3	-178.5	-175.9	24.6	0	0	0	109.6	S224 K257	S224-N226 PolarHBondContact O-N 3.21Å; N226-K257 WeakPolarHBondContact OD1-CE 3.27Å
227	P	94.3	Very high	92.4	Very high	1 Å²	1	93.4 Å²	93.4	1%	0.006	48%	0.478	C	S	.	.			trans	-71.4	150.8	-179.4	32.2	-32.5	0	0	0	109.8	H221 S224 L232 E256 K257	H221-P227 WeakPolarHBondContact O-CB 3.47Å; S224-P227 WeakPolarHBondContact O-CD 3.41Å; S224-P227 VanDerWaalsContact OG-CA 3.3Å; S224-P227 WeakPolarHBondContact OG-CA 3.47Å; P227-L232 HydrophobicContact CG-CD2 4.01Å; P227-E256 VanDerWaalsContact CD-O 3.23Å; P227-E256 WeakPolarHBondContact CD-O 3.44Å; P227-K257 HydrophobicContact CG-CB 4.48Å
228	P	94	Very high	92.6	Very high	53 Å²	53	85.6 Å²	85.6	34%	0.344	45%	0.445	S	S	.	.			trans	-52.6	147.3	166.1	-23.6	32.4	0	0	0	110.5	E230 Y231	P228-E230 PolarHBondContact O-N 3.17Å; P228-Y231 HydrophobicContact CB-CD2 4Å; P228-Y231 HydrophobicContact CB-CE2 4.32Å; P228-Y231 HydrophobicContact CG-CD2 4.01Å; P228-Y231 HydrophobicContact CG-CE2 4.03Å; P228-Y231 PolarHBondContact O-N 3.4Å
229	S	91.6	Very high	92.7	Very high	85 Å²	85	83.9 Å²	83.9	59%	0.594	43%	0.433	S	S	*	.	G	3₁₀ helix	trans	-57.4	-23.4	-176	47	0	0	0	0	113.7	Y231 L232	S229-Y231 PolarHBondContact O-N 3.47Å; S229-L232 WeakPolarHBondContact O-CB 3.36Å; S229-L232 PolarHBondContact O-N 3.34Å
230	E	92.5	Very high	92.9	Very high	175 Å²	175	85.3 Å²	85.3	82%	0.818	43%	0.429	S	S	*	.	G	3₁₀ helix	trans	-62.6	-24.8	176.7	-45.2	-176.7	-117	0	0	113.6	P228	P228-E230 PolarHBondContact O-N 3.17Å
231	Y	92.8	Very high	93.1	Very high	99 Å²	99	85.2 Å²	85.2	39%	0.388	42%	0.417	S	S	.	.	G	3₁₀ helix	trans	-89.5	-13.6	178.4	-70.2	-85.6	0	0	0	113	H221 A222 P228 S229 L233 P255	H221-Y231 HydrophobicContact CB-CD2 4.48Å; H221-Y231 HydrophobicContact CB-CE1 4.46Å; H221-Y231 HydrophobicContact CB-CE2 3.88Å; A222-Y231 HydrophobicContact CB-CD1 3.77Å; A222-Y231 HydrophobicContact CB-CE1 4.31Å; A222-Y231 HydrophobicContact CB-CG 4.49Å; P228-Y231 HydrophobicContact CB-CD2 4Å; P228-Y231 HydrophobicContact CB-CE2 4.32Å; P228-Y231 HydrophobicContact CG-CD2 4.01Å; P228-Y231 HydrophobicContact CG-CE2 4.03Å; P228-Y231 PolarHBondContact O-N 3.4Å; S229-Y231 PolarHBondContact O-N 3.47Å; Y231-L233 PolarHBondContact O-N 3.06Å; Y231-P255 WeakPolarHBondContact O-CB 3.42Å
232	L	92.8	Very high	93.2	Very high	61 Å²	61	87.3 Å²	87.3	32%	0.319	42%	0.42	S	S	.	.	S	Bend	trans	-74.3	126.1	176.6	-62.4	176.1	0	0	0	108.8	P227 S229 P255 K257	P227-L232 HydrophobicContact CG-CD2 4.01Å; S229-L232 WeakPolarHBondContact O-CB 3.36Å; S229-L232 PolarHBondContact O-N 3.34Å; L232-P255 WeakPolarHBondContact CD2-O 3.25Å; L232-K257 HydrophobicContact CD1-CB 3.97Å; L232-K257 HydrophobicContact CD1-CD 4.25Å; L232-K257 HydrophobicContact CD2-CB 3.99Å
233	L	92.3	Very high	93.3	Very high	42 Å²	42	92.6 Å²	92.6	22%	0.22	45%	0.446	C	S	.	.	P	Polyproline II helix	trans	-69.9	143	178.6	-77.4	86.7	0	0	0	110.3	Y231 E237 I238 W241 I254 P255	Y231-L233 PolarHBondContact O-N 3.06Å; L233-E237 HydrophobicContact CB-CB 4.1Å; L233-E237 HydrophobicContact CD2-CB 3.84Å; L233-E237 HydrophobicContact CG-CB 4.21Å; L233-I238 HydrophobicContact CB-CD1 4.38Å; L233-I238 HydrophobicContact CB-CG1 3.67Å; L233-W241 HydrophobicContact CD2-CB 4.47Å; L233-I254 HydrophobicContact CD1-CG2 4.47Å; L233-P255 HydrophobicContact CD1-CG 4.02Å
234	S	93.8	Very high	93.4	Very high	57 Å²	57	91.2 Å²	91.2	40%	0.399	44%	0.439	S	S	.	.	P	Polyproline II helix	trans	-70.1	156.8	166	61.6	0	0	0	0	111.2	R236 E237 I238	S234-R236 PolarHBondContact O-N 2.78Å; S234-R236 VanDerWaalsContact O-N 3.14Å; S234-E237 PolarHBondContact N-OE2 2.69Å; S234-E237 WeakPolarHBondContact O-CA 3.48Å; S234-E237 WeakPolarHBondContact O-CB 3.44Å; S234-E237 PolarHBondContact O-N 3.36Å; S234-E237 VanDerWaalsContact OG-CD 3.23Å; S234-E237 VanDerWaalsContact OG-CG 3.22Å; S234-E237 WeakPolarHBondContact OG-CG 3.37Å; S234-E237 PolarHBondContact OG-OE2 3.23Å; S234-I238 WeakPolarHBondContact O-CG1 3.28Å; S234-I238 PolarHBondContact O-N 2.88Å
235	D	94.2	Very high	93.5	Very high	139 Å²	139	94.5 Å²	94.5	74%	0.743	45%	0.45	S	S	*	.	H	α-helix	trans	-54.9	-37.8	-179.3	-62.5	-32.1	0	0	0	113	E237 I238 E239	D235-E237 VanDerWaalsContact C-N 3.33Å; D235-E237 PolarHBondContact O-N 3.49Å; D235-I238 PolarHBondContact O-N 2.84Å; D235-E239 PolarHBondContact O-N 3.39Å
236	R	95.4	Very high	93.4	Very high	202 Å²	202	93.2 Å²	93.2	76%	0.762	45%	0.452	S	S	*	.	H	α-helix	trans	-64.2	-36.5	175.2	-67.9	-178.1	178.5	173.6	-0.1	112.5	S234 K240	S234-R236 PolarHBondContact O-N 2.78Å; S234-R236 VanDerWaalsContact O-N 3.14Å; R236-K240 VanDerWaalsContact O-CG 3.3Å; R236-K240 WeakPolarHBondContact O-CG 3.43Å; R236-K240 PolarHBondContact O-N 3.45Å; R236-K240 VanDerWaalsContact O-N 3.08Å
237	E	93.4	Very high	93.2	Very high	94 Å²	94	98.5 Å²	98.5	44%	0.439	47%	0.468	S	S	.	.	H	α-helix	trans	-76.5	-34.4	177.4	-67.3	168.2	144.1	0	0	111.4	L233 S234 D235 E239 K240 W241	L233-E237 HydrophobicContact CB-CB 4.1Å; L233-E237 HydrophobicContact CD2-CB 3.84Å; L233-E237 HydrophobicContact CG-CB 4.21Å; S234-E237 PolarHBondContact N-OE2 2.69Å; S234-E237 WeakPolarHBondContact O-CA 3.48Å; S234-E237 WeakPolarHBondContact O-CB 3.44Å; S234-E237 PolarHBondContact O-N 3.36Å; S234-E237 VanDerWaalsContact OG-CD 3.23Å; S234-E237 VanDerWaalsContact OG-CG 3.22Å; S234-E237 WeakPolarHBondContact OG-CG 3.37Å; S234-E237 PolarHBondContact OG-OE2 3.23Å; D235-E237 VanDerWaalsContact C-N 3.33Å; D235-E237 PolarHBondContact O-N 3.49Å; E237-E239 VanDerWaalsContact C-N 3.33Å; E237-K240 PolarHBondContact O-N 3.18Å; E237-W241 VanDerWaalsContact O-CB 3.28Å; E237-W241 WeakPolarHBondContact O-CB 3.49Å; E237-W241 PolarHBondContact O-N 2.89Å
238	I	94.3	Very high	93	Very high	32 Å²	32	104 Å²	104	16%	0.164	49%	0.494	C	S	.	.	H	α-helix	trans	-61.4	-44.5	172.1	-64.9	170.7	0	0	0	110	L233 S234 D235 W241 R242 I254	L233-I238 HydrophobicContact CB-CD1 4.38Å; L233-I238 HydrophobicContact CB-CG1 3.67Å; S234-I238 WeakPolarHBondContact O-CG1 3.28Å; S234-I238 PolarHBondContact O-N 2.88Å; D235-I238 PolarHBondContact O-N 2.84Å; I238-W241 PolarHBondContact O-N 2.99Å; I238-R242 WeakPolarHBondContact O-CG 3.22Å; I238-R242 PolarHBondContact O-N 3.05Å; I238-I254 HydrophobicContact CG2-CD1 4.25Å
239	E	94.3	Very high	92.9	Very high	122 Å²	122	103.9 Å²	103.9	57%	0.57	49%	0.487	S	S	*	.	H	α-helix	trans	-63	-45.2	176	-169.6	173.9	-164.7	0	0	111.6	D235 E237 W241 R242 N243	D235-E239 PolarHBondContact O-N 3.39Å; E237-E239 VanDerWaalsContact C-N 3.33Å; E239-W241 VanDerWaalsContact C-N 3.32Å; E239-W241 PolarHBondContact O-N 3.46Å; E239-R242 PolarHBondContact O-N 3.4Å; E239-N243 VanDerWaalsContact O-CG 3.27Å; E239-N243 PolarHBondContact O-N 2.94Å; E239-N243 PolarHBondContact O-ND2 2.9Å
240	K	94.1	Very high	92.7	Very high	136 Å²	136	109.1 Å²	109.1	59%	0.591	50%	0.499	S	S	*	.	H	α-helix	trans	-58	-42.9	172.3	-75.5	174.8	-177.6	-180	0	112.3	R236 E237 N243 Q244	R236-K240 VanDerWaalsContact O-CG 3.3Å; R236-K240 WeakPolarHBondContact O-CG 3.43Å; R236-K240 PolarHBondContact O-N 3.45Å; R236-K240 VanDerWaalsContact O-N 3.08Å; E237-K240 PolarHBondContact O-N 3.18Å; K240-N243 PolarHBondContact O-N 3.35Å; K240-Q244 WeakPolarHBondContact O-CG 3.44Å; K240-Q244 PolarHBondContact O-N 2.94Å
241	W	95	Very high	92.6	Very high	35 Å²	35	103.8 Å²	103.8	13%	0.133	48%	0.475	C	S	.	.	H	α-helix	trans	-66.2	-39	179.7	-177.9	94.4	0	0	0	111.9	L233 E237 I238 E239 N243 Q244 R249 L251 D252 I254	L233-W241 HydrophobicContact CD2-CB 4.47Å; E237-W241 VanDerWaalsContact O-CB 3.28Å; E237-W241 WeakPolarHBondContact O-CB 3.49Å; E237-W241 PolarHBondContact O-N 2.89Å; I238-W241 PolarHBondContact O-N 2.99Å; E239-W241 VanDerWaalsContact C-N 3.32Å; E239-W241 PolarHBondContact O-N 3.46Å; W241-N243 VanDerWaalsContact C-N 3.34Å; W241-Q244 PolarHBondContact O-N 3.04Å; W241-R249 PolarHBondContact O-NE 2.83Å; W241-R249 PolarHBondContact O-NH2 2.85Å; W241-L251 PolarHBondContact NE1-O 3.09Å; W241-D252 WeakPolarHBondContact CZ2-O 3.33Å; W241-I254 HydrophobicContact CD2-CD1 4.43Å; W241-I254 HydrophobicContact CD2-CG1 4.06Å; W241-I254 HydrophobicContact CE3-CD1 3.79Å; W241-I254 HydrophobicContact CE3-CG1 3.89Å; W241-I254 HydrophobicContact CH2-CD1 4.35Å; W241-I254 HydrophobicContact CH2-CG1 4.08Å; W241-I254 HydrophobicContact CZ2-CG1 4.25Å; W241-I254 HydrophobicContact CZ3-CD1 3.75Å; W241-I254 HydrophobicContact CZ3-CG1 3.91Å
242	R	93	Very high	92.4	Very high	170 Å²	170	103.2 Å²	103.2	64%	0.642	48%	0.479	S	S	*	.	H	α-helix	trans	-65.7	-36.9	175	-73.5	176	-178.2	177	2.5	112.1	I238 E239	I238-R242 WeakPolarHBondContact O-CG 3.22Å; I238-R242 PolarHBondContact O-N 3.05Å; E239-R242 PolarHBondContact O-N 3.4Å
243	N	94.4	Very high	92.3	Very high	124 Å²	124	101.8 Å²	101.8	66%	0.663	47%	0.47	S	S	*	.	H	α-helix	trans	-76.8	-21.3	177.3	-67.6	-16.8	0	0	0	113.4	E239 K240 W241	E239-N243 VanDerWaalsContact O-CG 3.27Å; E239-N243 PolarHBondContact O-N 2.94Å; E239-N243 PolarHBondContact O-ND2 2.9Å; K240-N243 PolarHBondContact O-N 3.35Å; W241-N243 VanDerWaalsContact C-N 3.34Å
244	Q	93.3	Very high	92.4	Very high	81 Å²	81	101.7 Å²	101.7	38%	0.379	47%	0.47	S	S	.	.	S	Bend	trans	-74	139.1	175.6	-81.4	174.3	-6.4	0	0	111.7	K240 W241 R249	K240-Q244 WeakPolarHBondContact O-CG 3.44Å; K240-Q244 PolarHBondContact O-N 2.94Å; W241-Q244 PolarHBondContact O-N 3.04Å; Q244-R249 HydrophobicContact CB-CG 4.12Å; Q244-R249 PolarHBondContact O-NE 3.33Å; Q244-R249 PolarHBondContact O-NH2 3.36Å
245	E	93.3	Very high	92.3	Very high	114 Å²	114	99.3 Å²	99.3	53%	0.533	45%	0.453	S	S	.	.			trans	-64.2	144.6	171.9	-71	-60.6	147.3	0	0	111.2	Y247 E248	E245-Y247 VanDerWaalsContact C-N 3.29Å; E245-Y247 HydrophobicContact CB-CD1 3.89Å; E245-Y247 HydrophobicContact CB-CE1 3.53Å; E245-Y247 HydrophobicContact CG-CE1 4.15Å; E245-Y247 PolarHBondContact O-N 3.05Å; E245-Y247 VanDerWaalsContact O-N 3.11Å; E245-E248 PolarHBondContact O-N 3.39Å
246	P	90.1	Very high	92.2	Very high	63 Å²	63	97.5 Å²	97.5	41%	0.409	44%	0.44	S	S	.	.	G	3₁₀ helix	trans	-52.7	-37.7	-173.4	-30	36.1	0	0	0	115.7	E248 R249	P246-E248 VanDerWaalsContact C-N 3.35Å; P246-E248 PolarHBondContact O-N 2.87Å; P246-R249 PolarHBondContact O-N 2.76Å
247	Y	87.5	Confident	92.1	Very high	183 Å²	183	93.5 Å²	93.5	72%	0.718	43%	0.428	S	S	*	.	G	3₁₀ helix	trans	-77.3	-17.4	-176.6	71.9	-87.1	0	0	0	114.1	E245	E245-Y247 VanDerWaalsContact C-N 3.29Å; E245-Y247 HydrophobicContact CB-CD1 3.89Å; E245-Y247 HydrophobicContact CB-CE1 3.53Å; E245-Y247 HydrophobicContact CG-CE1 4.15Å; E245-Y247 PolarHBondContact O-N 3.05Å; E245-Y247 VanDerWaalsContact O-N 3.11Å
248	E	90.7	Very high	92.2	Very high	118 Å²	118	91.5 Å²	91.5	55%	0.551	42%	0.417	S	S	*	.	G	3₁₀ helix	trans	-88.6	-13.2	176.4	-60.8	-169.4	153.5	0	0	112.2	E245 P246	E245-E248 PolarHBondContact O-N 3.39Å; P246-E248 VanDerWaalsContact C-N 3.35Å; P246-E248 PolarHBondContact O-N 2.87Å
249	R	91.3	Very high	92.1	Very high	50 Å²	50	94.9 Å²	94.9	19%	0.189	44%	0.443	C	S	.	.			trans	-68	138	-176.6	-66.9	174.7	-173.5	178.8	1.3	110.6	W241 Q244 P246	W241-R249 PolarHBondContact O-NE 2.83Å; W241-R249 PolarHBondContact O-NH2 2.85Å; Q244-R249 HydrophobicContact CB-CG 4.12Å; Q244-R249 PolarHBondContact O-NE 3.33Å; Q244-R249 PolarHBondContact O-NH2 3.36Å; P246-R249 PolarHBondContact O-N 2.76Å
250	K	88.4	Confident	92	Very high	194 Å²	194	91.1 Å²	91.1	84%	0.843	43%	0.43	S	S	*	.	S	Bend	trans	-75.3	-34.8	174.9	-174.4	-179.3	176.2	-172.8	0	112.3
251	L	89.9	Confident	91.8	Very high	63 Å²	63	90.3 Å²	90.3	33%	0.33	43%	0.43	S	S	.	.			trans	-126.5	131.7	176.9	-62.7	175.4	0	0	0	107.7	W241 F253 P255	W241-L251 PolarHBondContact NE1-O 3.09Å; L251-F253 HydrophobicContact CD2-CE1 4.49Å; L251-F253 HydrophobicContact CD2-CZ 4.5Å; L251-F253 PolarHBondContact O-N 2.81Å; L251-P255 HydrophobicContact CD1-CG 4.11Å
252	D	89.9	Confident	91.7	Very high	88 Å²	88	100.1 Å²	100.1	47%	0.471	47%	0.467	S	S	.	.	S	Bend	trans	-77.7	-10.8	-179	-60.8	-40.5	0	0	0	112.7	W241 Q269	W241-D252 WeakPolarHBondContact CZ2-O 3.33Å; D252-Q269 PolarHBondContact O-OE1 3.33Å
253	F	90.6	Very high	91.7	Very high	30 Å²	30	97.7 Å²	97.7	13%	0.132	46%	0.463	C	S	.	.	S	Bend	trans	-127.9	166	179.5	66.8	-87.2	0	0	0	111.7	A222 E223 L251 P255 Y267	A222-F253 HydrophobicContact CB-CZ 4.41Å; A222-F253 WeakPolarHBondContact O-CE2 3.5Å; E223-F253 HydrophobicContact CB-CZ 4.23Å; E223-F253 HydrophobicContact CG-CE1 3.6Å; E223-F253 HydrophobicContact CG-CE2 4.19Å; E223-F253 HydrophobicContact CG-CZ 3.28Å; L251-F253 HydrophobicContact CD2-CE1 4.49Å; L251-F253 HydrophobicContact CD2-CZ 4.5Å; L251-F253 PolarHBondContact O-N 2.81Å; F253-P255 HydrophobicContact CE2-CG 3.98Å; F253-Y267 HydrophobicContact CB-CE2 4.06Å
254	I	92.6	Very high	91.6	Very high	41 Å²	41	95.9 Å²	95.9	21%	0.21	45%	0.453	C	S	.	.			trans	-98.7	120.1	172	-60.1	172.6	0	0	0	107.6	L233 I238 W241 E256	L233-I254 HydrophobicContact CD1-CG2 4.47Å; I238-I254 HydrophobicContact CG2-CD1 4.25Å; W241-I254 HydrophobicContact CD2-CD1 4.43Å; W241-I254 HydrophobicContact CD2-CG1 4.06Å; W241-I254 HydrophobicContact CE3-CD1 3.79Å; W241-I254 HydrophobicContact CE3-CG1 3.89Å; W241-I254 HydrophobicContact CH2-CD1 4.35Å; W241-I254 HydrophobicContact CH2-CG1 4.08Å; W241-I254 HydrophobicContact CZ2-CG1 4.25Å; W241-I254 HydrophobicContact CZ3-CD1 3.75Å; W241-I254 HydrophobicContact CZ3-CG1 3.91Å; I254-E256 PolarHBondContact O-N 2.86Å
255	P	93.7	Very high	91.5	Very high	7 Å²	7	95.1 Å²	95.1	5%	0.045	46%	0.455	C	S	.	.			trans	-57.7	127.1	169.9	-24.8	33.5	0	0	0	111.7	A222 Y231 L232 L233 L251 F253	A222-P255 HydrophobicContact CB-CG 4.24Å; Y231-P255 WeakPolarHBondContact O-CB 3.42Å; L232-P255 WeakPolarHBondContact CD2-O 3.25Å; L233-P255 HydrophobicContact CD1-CG 4.02Å; L251-P255 HydrophobicContact CD1-CG 4.11Å; F253-P255 HydrophobicContact CE2-CG 3.98Å
256	E	91.1	Very high	91.4	Very high	100 Å²	100	94.1 Å²	94.1	47%	0.467	47%	0.466	S	S	.	.			trans	-127.2	149	179.7	-71.3	175.2	169.7	0	0	109.5	P227 I254 Y258	P227-E256 VanDerWaalsContact CD-O 3.23Å; P227-E256 WeakPolarHBondContact CD-O 3.44Å; I254-E256 PolarHBondContact O-N 2.86Å; E256-Y258 HydrophobicContact CB-CD2 4.44Å; E256-Y258 HydrophobicContact CB-CE2 3.67Å; E256-Y258 PolarHBondContact OE2-OH 2.92Å
257	K	93.6	Very high	91.4	Very high	118 Å²	118	95.4 Å²	95.4	51%	0.513	46%	0.463	S	S	.	.			trans	-109.5	122.4	180	-176.2	175.8	-176.5	178.8	0	110.8	N226 P227 L232	N226-K257 WeakPolarHBondContact OD1-CE 3.27Å; P227-K257 HydrophobicContact CG-CB 4.48Å; L232-K257 HydrophobicContact CD1-CB 3.97Å; L232-K257 HydrophobicContact CD1-CD 4.25Å; L232-K257 HydrophobicContact CD2-CB 3.99Å
258	Y	94.4	Very high	91.7	Very high	52 Å²	52	96.5 Å²	96.5	20%	0.204	47%	0.472	C	S	.	.			trans	-113.2	131.1	176.3	-64.2	-82.1	0	0	0	109.9	Y225 E256 C260 H263 P265	Y225-Y258 PolarHBondContact O-N 2.85Å; E256-Y258 HydrophobicContact CB-CD2 4.44Å; E256-Y258 HydrophobicContact CB-CE2 3.67Å; E256-Y258 PolarHBondContact OE2-OH 2.92Å; Y258-C260 PolarHBondContact O-N 3.32Å; Y258-H263 HydrophobicContact CD1-CB 3.98Å; Y258-H263 WeakPolarHBondContact CD1-O 3.41Å; Y258-H263 WeakPolarHBondContact CE1-O 3.17Å; Y258-P265 HydrophobicContact CE1-CG 4.34Å; Y258-P265 HydrophobicContact CE2-CG 4.45Å; Y258-P265 WeakPolarHBondContact OH-CD 3.36Å; Y258-P265 VanDerWaalsContact OH-CG 3.25Å; Y258-P265 WeakPolarHBondContact OH-CG 3.27Å
259	S	92.5	Very high	91.7	Very high	103 Å²	103	94.2 Å²	94.2	72%	0.72	46%	0.461	S	S	*	.	S	Bend	trans	-68.7	-32.9	-178.8	54.8	0	0	0	0	113
260	C	92.4	Very high	91.7	Very high	44 Å²	44	96.9 Å²	96.9	30%	0.297	47%	0.474	S	S	.	.	S	Bend	trans	-141.6	155.2	178.2	70.7	0	0	0	0	111.9	Y258 R262 H263	Y258-C260 PolarHBondContact O-N 3.32Å; C260-R262 PolarHBondContact O-N 3.3Å; C260-R262 VanDerWaalsContact O-N 3.12Å; C260-H263 PolarHBondContact O-N 2.81Å; C260-H263 VanDerWaalsContact O-N 3.08Å; C260-H263 PolarHBondContact SG-CD2 3.11Å
261	M	89.8	Confident	92	Very high	118 Å²	118	93 Å²	93	58%	0.581	47%	0.467	S	S	*	.	G	3₁₀ helix	trans	-59.6	-23.9	179.3	-73.5	-65.8	-70.4	0	0	113.6	Y225 H263 L264	Y225-M261 HydrophobicContact CD1-SD 3.4Å; Y225-M261 WeakPolarHBondContact CD1-SD 3.49Å; Y225-M261 HydrophobicContact CD2-SD 4.01Å; Y225-M261 HydrophobicContact CE1-CG 4.26Å; Y225-M261 HydrophobicContact CE1-SD 3.44Å; Y225-M261 WeakPolarHBondContact CE1-SD 3.43Å; Y225-M261 HydrophobicContact CE2-CG 4.29Å; Y225-M261 HydrophobicContact CE2-SD 4.05Å; Y225-M261 HydrophobicContact CG-SD 3.7Å; M261-H263 VanDerWaalsContact C-N 3.27Å; M261-H263 PolarHBondContact O-N 2.94Å; M261-L264 WeakPolarHBondContact O-CB 3.48Å; M261-L264 PolarHBondContact O-N 2.87Å
262	R	93.2	Very high	92.2	Very high	241 Å²	241	95.4 Å²	95.4	91%	0.909	48%	0.475	S	S	*	.	G	3₁₀ helix	trans	-71.3	-22.1	178.9	-58.4	-176.7	-177.7	-159.2	0.6	113	C260	C260-R262 PolarHBondContact O-N 3.3Å; C260-R262 VanDerWaalsContact O-N 3.12Å
263	H	93.1	Very high	92.2	Very high	119 Å²	119	94 Å²	94	55%	0.551	47%	0.465	S	S	*	.	G	3₁₀ helix	trans	-87.9	-6.2	176.9	-68.4	-45.9	0	0	0	113.4	Y258 C260 M261 P265	Y258-H263 HydrophobicContact CD1-CB 3.98Å; Y258-H263 WeakPolarHBondContact CD1-O 3.41Å; Y258-H263 WeakPolarHBondContact CE1-O 3.17Å; C260-H263 PolarHBondContact O-N 2.81Å; C260-H263 VanDerWaalsContact O-N 3.08Å; C260-H263 PolarHBondContact SG-CD2 3.11Å; M261-H263 VanDerWaalsContact C-N 3.27Å; M261-H263 PolarHBondContact O-N 2.94Å; H263-P265 VanDerWaalsContact O-CD 3.29Å; H263-P265 WeakPolarHBondContact O-CD 3.46Å
264	L	91.1	Very high	92.4	Very high	86 Å²	86	97.7 Å²	97.7	45%	0.45	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-65.2	118.5	-178.7	-171.2	111.4	0	0	0	110.2	Y225 M261	Y225-L264 HydrophobicContact CG-CD1 4.39Å; M261-L264 WeakPolarHBondContact O-CB 3.48Å; M261-L264 PolarHBondContact O-N 2.87Å
265	P	92.2	Very high	92.5	Very high	66 Å²	66	102.1 Å²	102.1	43%	0.429	50%	0.496	S	S	.	.	P	Polyproline II helix	trans	-75.4	160.4	176	32.3	-36	0	0	0	111.3	Y258 H263 Y267	Y258-P265 HydrophobicContact CE1-CG 4.34Å; Y258-P265 HydrophobicContact CE2-CG 4.45Å; Y258-P265 WeakPolarHBondContact OH-CD 3.36Å; Y258-P265 VanDerWaalsContact OH-CG 3.25Å; Y258-P265 WeakPolarHBondContact OH-CG 3.27Å; H263-P265 VanDerWaalsContact O-CD 3.29Å; H263-P265 WeakPolarHBondContact O-CD 3.46Å; P265-Y267 PolarHBondContact O-N 2.8Å
266	A	91.3	Very high	92.4	Very high	93 Å²	93	105.1 Å²	105.1	77%	0.769	51%	0.512	S	S	*	.	P	Polyproline II helix	trans	-65	125	166.9	0	0	0	0	0	110	K268	A266-K268 PolarHBondContact O-N 2.97Å; A266-K268 VanDerWaalsContact O-N 3.1Å
267	Y	91	Very high	92.5	Very high	90 Å²	90	102.7 Å²	102.7	35%	0.353	50%	0.498	S	S	.	.			trans	-70.7	105.9	-178.4	-178.5	-123.3	0	0	0	111.3	F253 P265 Q269 F270 E273	F253-Y267 HydrophobicContact CB-CE2 4.06Å; P265-Y267 PolarHBondContact O-N 2.8Å; Y267-Q269 VanDerWaalsContact C-N 3.28Å; Y267-Q269 HydrophobicContact CE1-CB 3.91Å; Y267-Q269 HydrophobicContact CE2-CB 4.13Å; Y267-Q269 PolarHBondContact O-N 2.87Å; Y267-Q269 WeakPolarHBondContact OH-CB 3.45Å; Y267-Q269 PolarHBondContact OH-OE1 3.15Å; Y267-Q269 VanDerWaalsContact OH-OE1 3.1Å; Y267-F270 HydrophobicContact CD1-CB 3.75Å; Y267-F270 HydrophobicContact CE1-CB 4.45Å; Y267-F270 WeakPolarHBondContact O-CB 3.49Å; Y267-F270 PolarHBondContact O-N 2.88Å; Y267-E273 HydrophobicContact CE1-CG 4.5Å; Y267-E273 PolarHBondContact OH-OE1 2.95Å
268	K	92.1	Very high	92.5	Very high	206 Å²	206	100.6 Å²	100.6	90%	0.896	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.9	-31.6	-171.7	-64.9	-177.2	-179.3	178.3	0	114.2	A266	A266-K268 PolarHBondContact O-N 2.97Å; A266-K268 VanDerWaalsContact O-N 3.1Å
269	Q	90.5	Very high	92.4	Very high	69 Å²	69	99.7 Å²	99.7	32%	0.322	50%	0.497	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.4	0.6	-174.9	-75.1	173.3	-29.4	0	0	113.5	D252 Y267 V271 K272 E273	D252-Q269 PolarHBondContact O-OE1 3.33Å; Y267-Q269 VanDerWaalsContact C-N 3.28Å; Y267-Q269 HydrophobicContact CE1-CB 3.91Å; Y267-Q269 HydrophobicContact CE2-CB 4.13Å; Y267-Q269 PolarHBondContact O-N 2.87Å; Y267-Q269 WeakPolarHBondContact OH-CB 3.45Å; Y267-Q269 PolarHBondContact OH-OE1 3.15Å; Y267-Q269 VanDerWaalsContact OH-OE1 3.1Å; Q269-V271 VanDerWaalsContact C-N 3.34Å; Q269-V271 PolarHBondContact O-N 2.82Å; Q269-K272 WeakPolarHBondContact O-CA 3.39Å; Q269-K272 WeakPolarHBondContact O-CB 3.31Å; Q269-K272 PolarHBondContact O-N 3.3Å; Q269-E273 PolarHBondContact O-N 2.9Å
270	F	91.8	Very high	92.4	Very high	107 Å²	107	99.1 Å²	99.1	47%	0.469	49%	0.487	S	S	.	.	H	α-helix	trans	-53	-48.9	-176.9	-178.2	-104.2	0	0	0	113	Y267 K272 E273 R274	Y267-F270 HydrophobicContact CD1-CB 3.75Å; Y267-F270 HydrophobicContact CE1-CB 4.45Å; Y267-F270 WeakPolarHBondContact O-CB 3.49Å; Y267-F270 PolarHBondContact O-N 2.88Å; F270-K272 VanDerWaalsContact C-N 3.3Å; F270-K272 PolarHBondContact O-N 2.77Å; F270-E273 PolarHBondContact O-N 2.84Å; F270-R274 HydrophobicContact CD1-CG 4.49Å; F270-R274 HydrophobicContact CE1-CG 4.16Å; F270-R274 HydrophobicContact CE2-CG 4.36Å; F270-R274 HydrophobicContact CZ-CG 4.09Å; F270-R274 VanDerWaalsContact O-CG 3.27Å; F270-R274 WeakPolarHBondContact O-CG 3.43Å; F270-R274 PolarHBondContact O-N 2.92Å; F270-R274 VanDerWaalsContact O-N 3.15Å
271	V	95	Very high	92.4	Very high	113 Å²	113	99.9 Å²	99.9	69%	0.685	49%	0.487	S	S	*	.	H	α-helix	trans	-64.4	-38.5	-179.5	179.4	0	0	0	0	111	Q269 R274 F275	Q269-V271 VanDerWaalsContact C-N 3.34Å; Q269-V271 PolarHBondContact O-N 2.82Å; V271-R274 PolarHBondContact O-N 2.82Å; V271-F275 WeakPolarHBondContact O-CB 3.19Å; V271-F275 PolarHBondContact O-N 2.8Å
272	K	93.5	Very high	92.4	Very high	113 Å²	113	102.2 Å²	102.2	49%	0.491	49%	0.491	S	S	.	.	H	α-helix	trans	-65.4	-48.3	178.9	-172.6	-175.6	174.8	-173.2	0	111.4	Q269 F270 R274 F275 D276	Q269-K272 WeakPolarHBondContact O-CA 3.39Å; Q269-K272 WeakPolarHBondContact O-CB 3.31Å; Q269-K272 PolarHBondContact O-N 3.3Å; F270-K272 VanDerWaalsContact C-N 3.3Å; F270-K272 PolarHBondContact O-N 2.77Å; K272-R274 VanDerWaalsContact C-N 3.3Å; K272-R274 PolarHBondContact O-N 3.34Å; K272-F275 WeakPolarHBondContact O-CB 3.42Å; K272-F275 PolarHBondContact O-N 2.79Å; K272-F275 VanDerWaalsContact O-N 3.14Å; K272-D276 WeakPolarHBondContact O-CB 3.38Å; K272-D276 PolarHBondContact O-N 3.39Å
273	E	91.5	Very high	92.4	Very high	57 Å²	57	95.9 Å²	95.9	27%	0.266	48%	0.475	S	S	.	.	H	α-helix	trans	-60.3	-39	177.4	-69.2	-174.8	158.3	0	0	112.4	Y267 Q269 F270 R277	Y267-E273 HydrophobicContact CE1-CG 4.5Å; Y267-E273 PolarHBondContact OH-OE1 2.95Å; Q269-E273 PolarHBondContact O-N 2.9Å; F270-E273 PolarHBondContact O-N 2.84Å; E273-R277 WeakPolarHBondContact O-CB 3.36Å; E273-R277 PolarHBondContact O-N 2.89Å
274	R	93.6	Very high	92.2	Very high	109 Å²	109	92.2 Å²	92.2	41%	0.411	47%	0.465	S	S	.	.	H	α-helix	trans	-67.6	-39.4	176.2	-63.2	-66.1	158.8	-163.3	-9.5	111.7	M216 F270 V271 K272 C278	M216-R274 PolarHBondContact SD-NH1 2.93Å; F270-R274 HydrophobicContact CD1-CG 4.49Å; F270-R274 HydrophobicContact CE1-CG 4.16Å; F270-R274 HydrophobicContact CE2-CG 4.36Å; F270-R274 HydrophobicContact CZ-CG 4.09Å; F270-R274 VanDerWaalsContact O-CG 3.27Å; F270-R274 WeakPolarHBondContact O-CG 3.43Å; F270-R274 PolarHBondContact O-N 2.92Å; F270-R274 VanDerWaalsContact O-N 3.15Å; V271-R274 PolarHBondContact O-N 2.82Å; K272-R274 VanDerWaalsContact C-N 3.3Å; K272-R274 PolarHBondContact O-N 3.34Å; R274-C278 PolarHBondContact O-N 3.46Å; R274-C278 PolarHBondContact O-SG 2.87Å; R274-C278 VanDerWaalsContact O-SG 3.33Å
275	F	94.6	Very high	92.2	Very high	133 Å²	133	94.3 Å²	94.3	58%	0.583	48%	0.483	S	S	*	.	H	α-helix	trans	-64.4	-51.8	174.7	176	-99	0	0	0	111.6	V271 K272 R277 C278 V279	V271-F275 WeakPolarHBondContact O-CB 3.19Å; V271-F275 PolarHBondContact O-N 2.8Å; K272-F275 WeakPolarHBondContact O-CB 3.42Å; K272-F275 PolarHBondContact O-N 2.79Å; K272-F275 VanDerWaalsContact O-N 3.14Å; F275-R277 PolarHBondContact O-N 3.46Å; F275-C278 WeakPolarHBondContact O-CA 3.48Å; F275-C278 VanDerWaalsContact O-CB 3.31Å; F275-C278 WeakPolarHBondContact O-CB 3.49Å; F275-C278 PolarHBondContact O-N 3.47Å; F275-V279 HydrophobicContact CD1-CG2 4.17Å; F275-V279 HydrophobicContact CE1-CG2 3.75Å; F275-V279 HydrophobicContact CE2-CG2 4.32Å; F275-V279 HydrophobicContact CZ-CG2 3.83Å; F275-V279 WeakPolarHBondContact O-CG2 3.4Å; F275-V279 PolarHBondContact O-N 2.92Å
276	D	92.1	Very high	92.2	Very high	71 Å²	71	96.5 Å²	96.5	38%	0.38	48%	0.483	S	S	.	.	H	α-helix	trans	-58.4	-38.7	178.3	-69.3	-20.7	0	0	0	110.6	K272 C278 V279 D280	K272-D276 WeakPolarHBondContact O-CB 3.38Å; K272-D276 PolarHBondContact O-N 3.39Å; D276-C278 PolarHBondContact O-N 2.88Å; D276-V279 WeakPolarHBondContact O-CA 3.35Å; D276-V279 WeakPolarHBondContact O-CB 3.38Å; D276-V279 PolarHBondContact O-N 2.93Å; D276-V279 VanDerWaalsContact O-N 3.15Å; D276-D280 PolarHBondContact O-N 2.95Å
277	R	92.4	Very high	92.1	Very high	48 Å²	48	99 Å²	99	18%	0.181	48%	0.479	C	S	.	.	H	α-helix	trans	-62.8	-40.4	173.1	176.6	58.9	-173.2	132.6	-0.9	113.4	S214 M216 E273 F275 V279 L281	S214-R277 PolarHBondContact O-NH2 2.91Å; M216-R277 HydrophobicContact SD-CG 4.31Å; E273-R277 WeakPolarHBondContact O-CB 3.36Å; E273-R277 PolarHBondContact O-N 2.89Å; F275-R277 PolarHBondContact O-N 3.46Å; R277-V279 VanDerWaalsContact C-N 3.31Å; R277-L281 VanDerWaalsContact CZ-CD2 3.48Å; R277-L281 VanDerWaalsContact NH1-CD2 3.26Å; R277-L281 VanDerWaalsContact NH1-CG 3.35Å; R277-L281 VanDerWaalsContact NH2-CD2 3.31Å; R277-L281 WeakPolarHBondContact O-CG 3.26Å; R277-L281 PolarHBondContact O-N 2.9Å; R277-L281 VanDerWaalsContact O-N 3.16Å
278	C	94.1	Very high	91.9	Very high	75 Å²	75	102.4 Å²	102.4	51%	0.507	49%	0.491	S	S	.	.	H	α-helix	trans	-62.6	-42.7	172.8	-72.9	0	0	0	0	110.3	R274 F275 D276 L281 Y282	R274-C278 PolarHBondContact O-N 3.46Å; R274-C278 PolarHBondContact O-SG 2.87Å; R274-C278 VanDerWaalsContact O-SG 3.33Å; F275-C278 WeakPolarHBondContact O-CA 3.48Å; F275-C278 VanDerWaalsContact O-CB 3.31Å; F275-C278 WeakPolarHBondContact O-CB 3.49Å; F275-C278 PolarHBondContact O-N 3.47Å; D276-C278 PolarHBondContact O-N 2.88Å; C278-L281 WeakPolarHBondContact O-CB 3.45Å; C278-L281 PolarHBondContact O-N 2.86Å; C278-L281 VanDerWaalsContact O-N 3.13Å; C278-Y282 VanDerWaalsContact O-CD1 3.26Å; C278-Y282 WeakPolarHBondContact O-CD1 3.47Å; C278-Y282 PolarHBondContact O-N 2.8Å
279	V	93	Very high	91.6	Very high	32 Å²	32	100.4 Å²	100.4	19%	0.194	48%	0.482	C	S	.	.	H	α-helix	trans	-59	-48.4	175.8	179.3	0	0	0	0	111.9	F275 D276 R277 L281 Y282 L283	F275-V279 HydrophobicContact CD1-CG2 4.17Å; F275-V279 HydrophobicContact CE1-CG2 3.75Å; F275-V279 HydrophobicContact CE2-CG2 4.32Å; F275-V279 HydrophobicContact CZ-CG2 3.83Å; F275-V279 WeakPolarHBondContact O-CG2 3.4Å; F275-V279 PolarHBondContact O-N 2.92Å; D276-V279 WeakPolarHBondContact O-CA 3.35Å; D276-V279 WeakPolarHBondContact O-CB 3.38Å; D276-V279 PolarHBondContact O-N 2.93Å; D276-V279 VanDerWaalsContact O-N 3.15Å; R277-V279 VanDerWaalsContact C-N 3.31Å; V279-L281 PolarHBondContact O-N 2.93Å; V279-Y282 VanDerWaalsContact CA-CE1 3.49Å; V279-Y282 HydrophobicContact CB-CE1 4.15Å; V279-Y282 HydrophobicContact CG1-CE1 4.27Å; V279-Y282 HydrophobicContact CG2-CE1 4.05Å; V279-Y282 PolarHBondContact O-N 3.28Å; V279-L283 HydrophobicContact CG1-CB 4.36Å; V279-L283 HydrophobicContact CG1-CD1 3.62Å; V279-L283 HydrophobicContact CG1-CG 4.14Å; V279-L283 WeakPolarHBondContact O-CB 3.5Å; V279-L283 PolarHBondContact O-N 3.46Å
280	D	92	Very high	91.5	Very high	92 Å²	92	106.6 Å²	106.6	49%	0.492	51%	0.511	S	S	.	.	H	α-helix	trans	-57.6	-32.8	175.2	-78	-16.8	0	0	0	113.1	D276 A284	D276-D280 PolarHBondContact O-N 2.95Å; D280-A284 VanDerWaalsContact O-CB 3.24Å; D280-A284 WeakPolarHBondContact O-CB 3.34Å; D280-A284 PolarHBondContact O-N 2.8Å
281	L	92	Very high	91.2	Very high	60 Å²	60	111.8 Å²	111.8	31%	0.314	53%	0.528	S	S	.	.	H	α-helix	trans	-68.8	-39.5	179.6	-78.1	174	0	0	0	112.6	A213 R277 C278 V279 R286	A213-L281 HydrophobicContact CB-CD2 3.43Å; A213-L281 VanDerWaalsContact CB-CD2 3.43Å; R277-L281 VanDerWaalsContact CZ-CD2 3.48Å; R277-L281 VanDerWaalsContact NH1-CD2 3.26Å; R277-L281 VanDerWaalsContact NH1-CG 3.35Å; R277-L281 VanDerWaalsContact NH2-CD2 3.31Å; R277-L281 WeakPolarHBondContact O-CG 3.26Å; R277-L281 PolarHBondContact O-N 2.9Å; R277-L281 VanDerWaalsContact O-N 3.16Å; C278-L281 WeakPolarHBondContact O-CB 3.45Å; C278-L281 PolarHBondContact O-N 2.86Å; C278-L281 VanDerWaalsContact O-N 3.13Å; V279-L281 PolarHBondContact O-N 2.93Å; L281-R286 PolarHBondContact O-NH2 3.12Å
282	Y	90	Very high	90.9	Very high	166 Å²	166	113.8 Å²	113.8	65%	0.651	53%	0.534	S	S	*	.	H	α-helix	trans	-99.8	-33.1	-173.8	85.4	-92.7	0	0	0	113.9	C278 V279	C278-Y282 VanDerWaalsContact O-CD1 3.26Å; C278-Y282 WeakPolarHBondContact O-CD1 3.47Å; C278-Y282 PolarHBondContact O-N 2.8Å; V279-Y282 VanDerWaalsContact CA-CE1 3.49Å; V279-Y282 HydrophobicContact CB-CE1 4.15Å; V279-Y282 HydrophobicContact CG1-CE1 4.27Å; V279-Y282 HydrophobicContact CG2-CE1 4.05Å; V279-Y282 PolarHBondContact O-N 3.28Å
283	L	92.6	Very high	90.6	Very high	109 Å²	109	115.7 Å²	115.7	57%	0.571	55%	0.549	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.3	-36.9	-178.9	-68.3	-173.5	0	0	0	114.2	V279	V279-L283 HydrophobicContact CG1-CB 4.36Å; V279-L283 HydrophobicContact CG1-CD1 3.62Å; V279-L283 HydrophobicContact CG1-CG 4.14Å; V279-L283 WeakPolarHBondContact O-CB 3.5Å; V279-L283 PolarHBondContact O-N 3.46Å
284	A	89.5	Confident	90.5	Very high	42 Å²	42	116.2 Å²	116.2	35%	0.347	56%	0.557	S	S	.	*	S	Bend	trans	-74.5	127.1	-170.1	0	0	0	0	0	111.7	D280 R286	D280-A284 VanDerWaalsContact O-CB 3.24Å; D280-A284 WeakPolarHBondContact O-CB 3.34Å; D280-A284 PolarHBondContact O-N 2.8Å; A284-R286 PolarHBondContact O-N 2.94Å
285	P	92	Very high	90.3	Very high	129 Å²	129	116.2 Å²	116.2	84%	0.838	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-67.9	131.8	179.5	27.2	-33.8	0	0	0	110.8
286	R	90.9	Very high	90.2	Very high	113 Å²	113	114.9 Å²	114.9	43%	0.426	57%	0.569	S	S	.	*	P	Polyproline II helix	trans	-96	119.7	-177.9	-55.7	179.5	-169.1	166.1	4.8	110.2	I211 L281 A284	I211-R286 HydrophobicContact CB-CB 4.22Å; I211-R286 VanDerWaalsContact CD1-O 3.29Å; I211-R286 WeakPolarHBondContact CD1-O 3.29Å; I211-R286 HydrophobicContact CG2-CB 3.75Å; L281-R286 PolarHBondContact O-NH2 3.12Å; A284-R286 PolarHBondContact O-N 2.94Å
287	Q	89.3	Confident	90.2	Very high	146 Å²	146	119 Å²	119	68%	0.682	59%	0.586	S	S	*	*			trans	-125	136.5	177.3	-168.3	-176.3	26.7	0	0	111.1	K289	Q287-K289 PolarHBondContact O-N 3.29Å
288	R	86.7	Confident	90.1	Very high	161 Å²	161	122.1 Å²	122.1	61%	0.608	61%	0.606	S	S	*	*			trans	-75.8	112.3	169.2	-65.9	-176.9	-179	172.3	4.8	108.9	K208 R210 I211	K208-R288 PolarHBondContact O-NH2 2.94Å; R210-R288 PolarHBondContact O-NH2 3.48Å; I211-R288 HydrophobicContact CD1-CG 4.33Å; I211-R288 HydrophobicContact CG1-CG 4.23Å; I211-R288 HydrophobicContact CG2-CG 4.29Å
289	K	87.1	Confident	89.9	Confident	163 Å²	163	124.8 Å²	124.8	71%	0.709	62%	0.615	S	S	*	*			trans	-108.1	129.7	173.6	-69.9	-173.1	176.5	-178.8	0	110.1	Q287 R291	Q287-K289 PolarHBondContact O-N 3.29Å; K289-R291 PolarHBondContact O-N 3.35Å
290	Q	88.3	Confident	89.7	Confident	200 Å²	200	129.1 Å²	129.1	94%	0.935	64%	0.637	S	S	*	*			trans	-78.6	113.4	169.5	-68.6	-177.5	-4.5	0	0	108.5
291	R	85.8	Confident	89.6	Confident	215 Å²	215	128.5 Å²	128.5	81%	0.811	64%	0.638	S	S	*	*			trans	-86.6	127	172.4	-66.9	-175.3	178.1	-173.3	-1.6	108.4	K289 N293	K289-R291 PolarHBondContact O-N 3.35Å; R291-N293 PolarHBondContact O-N 3.14Å
292	L	87.1	Confident	89.4	Confident	156 Å²	156	136 Å²	136	82%	0.817	67%	0.667	S	S	*	*			trans	-74.5	92.4	174	-66.5	171.8	0	0	0	108.4	V294	L292-V294 HydrophobicContact CB-CG2 4.5Å; L292-V294 PolarHBondContact O-N 2.88Å; L292-V294 VanDerWaalsContact O-N 3.09Å
293	N	87.4	Confident	89.5	Confident	152 Å²	152	130.7 Å²	130.7	81%	0.813	65%	0.65	S	S	*	*			trans	-84.1	62.3	171.2	-62.9	-18.2	0	0	0	108.8	R291	R291-N293 PolarHBondContact O-N 3.14Å
294	V	89.6	Confident	89.6	Confident	69 Å²	69	127.6 Å²	127.6	42%	0.418	64%	0.636	S	S	.	*			trans	-118.4	136.9	-177.5	-177.7	0	0	0	0	108	L292 D298 L299	L292-V294 HydrophobicContact CB-CG2 4.5Å; L292-V294 PolarHBondContact O-N 2.88Å; L292-V294 VanDerWaalsContact O-N 3.09Å; V294-D298 HydrophobicContact CG1-CB 3.78Å; V294-L299 HydrophobicContact CG1-CD2 4.2Å
295	N	90.4	Very high	89.8	Confident	109 Å²	109	132.3 Å²	132.3	58%	0.583	65%	0.649	S	S	*	*			trans	-67	139.6	176	-63.8	-39.9	0	0	0	109	E297 D298	N295-E297 PolarHBondContact O-N 2.55Å; N295-D298 PolarHBondContact O-N 3.11Å
296	P	92.8	Very high	89.8	Confident	105 Å²	105	128.6 Å²	128.6	68%	0.682	63%	0.625	S	S	*	*	G	3₁₀ helix	trans	-55.9	-26.7	179.9	-27.4	35.2	0	0	0	114.1	L299	P296-L299 PolarHBondContact O-N 3.06Å
297	E	91.6	Very high	89.9	Confident	158 Å²	158	126.8 Å²	126.8	74%	0.738	63%	0.63	S	S	*	*	G	3₁₀ helix	trans	-68.4	-34.4	178.8	-60.8	-177.8	176.7	0	0	113	N295 L299 L300	N295-E297 PolarHBondContact O-N 2.55Å; E297-L299 PolarHBondContact O-N 3.19Å; E297-L300 WeakPolarHBondContact O-CB 3.22Å; E297-L300 PolarHBondContact O-N 2.64Å; E297-L300 VanDerWaalsContact O-N 3.08Å
298	D	89.9	Confident	90.1	Very high	112 Å²	112	126.1 Å²	126.1	60%	0.599	63%	0.626	S	S	*	*	G	3₁₀ helix	trans	-69.2	-18.1	-179.4	-63.2	-37.1	0	0	0	112.4	V294 N295 L300	V294-D298 HydrophobicContact CG1-CB 3.78Å; N295-D298 PolarHBondContact O-N 3.11Å; D298-L300 VanDerWaalsContact C-N 3.28Å
299	L	89.8	Confident	90.5	Very high	132 Å²	132	119.8 Å²	119.8	69%	0.691	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-78.2	-15.2	175.9	-58.1	177.4	0	0	0	112.4	V294 P296 E297	V294-L299 HydrophobicContact CG1-CD2 4.2Å; P296-L299 PolarHBondContact O-N 3.06Å; E297-L299 PolarHBondContact O-N 3.19Å
300	L	88.4	Confident	90.7	Very high	123 Å²	123	120.8 Å²	120.8	64%	0.644	60%	0.604	S	S	*	*	S	Bend	trans	-82.9	137.6	179.3	-62	176.4	0	0	0	110.5	E297 D298	E297-L300 WeakPolarHBondContact O-CB 3.22Å; E297-L300 PolarHBondContact O-N 2.64Å; E297-L300 VanDerWaalsContact O-N 3.08Å; D298-L300 VanDerWaalsContact C-N 3.28Å
301	P	89.7	Confident	91.1	Very high	79 Å²	79	114.1 Å²	114.1	51%	0.513	58%	0.578	S	S	.	*			trans	-66.2	139.3	175.3	28.3	-34	0	0	0	110.5	L303	P301-L303 HydrophobicContact CB-CD2 4.41Å; P301-L303 HydrophobicContact CB-CG 4.15Å; P301-L303 HydrophobicContact CG-CD1 3.99Å; P301-L303 HydrophobicContact CG-CG 4.06Å; P301-L303 PolarHBondContact O-N 3.32Å
302	K	89.3	Confident	91.5	Very high	216 Å²	216	104.7 Å²	104.7	94%	0.939	54%	0.543	S	S	*	.			trans	-71.3	90.6	173	-62.3	-178.1	-178.3	-178.9	0	109.5
303	L	91.4	Very high	91.9	Very high	56 Å²	56	97.3 Å²	97.3	29%	0.293	50%	0.504	S	S	.	.			trans	-105.3	150.9	177.9	-61.2	176.3	0	0	0	110.5	P301 L617 V619	P301-L303 HydrophobicContact CB-CD2 4.41Å; P301-L303 HydrophobicContact CB-CG 4.15Å; P301-L303 HydrophobicContact CG-CD1 3.99Å; P301-L303 HydrophobicContact CG-CG 4.06Å; P301-L303 PolarHBondContact O-N 3.32Å; L303-L617 HydrophobicContact CD2-CD1 4.35Å; L303-V619 HydrophobicContact CB-CG1 4.4Å; L303-V619 HydrophobicContact CB-CG2 4.41Å; L303-V619 HydrophobicContact CD2-CG2 4.42Å
304	P	94.6	Very high	92.2	Very high	43 Å²	43	92.9 Å²	92.9	28%	0.279	48%	0.483	S	S	.	.			trans	-56.5	147.5	171.7	-23.4	33.3	0	0	0	111.8	L309 L617	P304-L309 HydrophobicContact CB-CD1 4.29Å; P304-L309 HydrophobicContact CB-CD2 4.43Å; P304-L309 HydrophobicContact CB-CG 4.41Å; P304-L617 HydrophobicContact CG-CD2 4.14Å
305	K	93.3	Very high	92.4	Very high	142 Å²	142	96.3 Å²	96.3	62%	0.617	49%	0.492	S	S	*	.			trans	-69.2	140.5	179	-70.7	177.8	179.8	173.6	0	109.5	S307 E308	K305-S307 PolarHBondContact O-N 3.47Å; K305-E308 HydrophobicContact CB-CG 4.5Å; K305-E308 WeakPolarHBondContact O-CB 3.35Å; K305-E308 PolarHBondContact O-N 2.82Å
306	P	93.4	Very high	92.6	Very high	51 Å²	51	94.1 Å²	94.1	33%	0.331	48%	0.478	S	S	.	.	G	3₁₀ helix	trans	-55.4	-28	176.9	-28.4	35.7	0	0	0	113.8	E308 L309 F312 L621	P306-E308 VanDerWaalsContact C-N 3.26Å; P306-E308 PolarHBondContact O-N 2.97Å; P306-L309 PolarHBondContact O-N 3.38Å; P306-F312 HydrophobicContact CB-CZ 4.28Å; P306-F312 WeakPolarHBondContact O-CE1 3.33Å; P306-L621 HydrophobicContact CB-CD2 4.02Å
307	S	92.6	Very high	92.7	Very high	74 Å²	74	92.8 Å²	92.8	52%	0.517	47%	0.468	S	S	.	.	G	3₁₀ helix	trans	-59.8	-32.6	175.8	49.8	0	0	0	0	114	K305 L309	K305-S307 PolarHBondContact O-N 3.47Å; S307-L309 VanDerWaalsContact C-N 3.33Å
308	E	93.8	Very high	92.9	Very high	132 Å²	132	87.3 Å²	87.3	62%	0.617	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-78.2	-20.1	-179.6	-65.3	161.5	-160.5	0	0	112.1	K305 P306	K305-E308 HydrophobicContact CB-CG 4.5Å; K305-E308 WeakPolarHBondContact O-CB 3.35Å; K305-E308 PolarHBondContact O-N 2.82Å; P306-E308 VanDerWaalsContact C-N 3.26Å; P306-E308 PolarHBondContact O-N 2.97Å
309	L	93.6	Very high	93.1	Very high	28 Å²	28	85.5 Å²	85.5	15%	0.147	43%	0.431	C	S	.	.	G	3₁₀ helix	trans	-99.5	21.2	-173.6	-58.7	177	0	0	0	113.1	P304 P306 S307 H605 V619 L621	P304-L309 HydrophobicContact CB-CD1 4.29Å; P304-L309 HydrophobicContact CB-CD2 4.43Å; P304-L309 HydrophobicContact CB-CG 4.41Å; P306-L309 PolarHBondContact O-N 3.38Å; S307-L309 VanDerWaalsContact C-N 3.33Å; L309-H605 HydrophobicContact CD1-CB 3.99Å; L309-V619 HydrophobicContact CD1-CB 3.89Å; L309-V619 HydrophobicContact CD1-CG1 3.88Å; L309-V619 HydrophobicContact CD1-CG2 4.04Å; L309-L621 HydrophobicContact CB-CD2 3.93Å; L309-L621 HydrophobicContact CD1-CD2 3.87Å
310	R	92.4	Very high	93.4	Very high	184 Å²	184	79.3 Å²	79.3	69%	0.694	40%	0.398	S	S	*	.			trans	-68.9	147.5	174.8	-73	-177.5	176	-172.6	1.5	110.6	F312	R310-F312 HydrophobicContact CG-CD1 4.21Å; R310-F312 HydrophobicContact CG-CE1 3.67Å; R310-F312 HydrophobicContact CG-CZ 4.42Å
311	P	95.5	Very high	93.7	Very high	61 Å²	61	80.6 Å²	80.6	40%	0.396	40%	0.398	S	S	.	.			cis	-93.9	151.4	8.4	37.3	-35.9	0	0	0	113.9	Y589 P645	P311-Y589 HydrophobicContact CG-CD1 4.3Å; P311-Y589 HydrophobicContact CG-CE1 3.9Å; P311-P645 HydrophobicContact CB-CB 4.33Å; P311-P645 HydrophobicContact CB-CG 3.8Å; P311-P645 HydrophobicContact CG-CB 4.23Å; P311-P645 HydrophobicContact CG-CG 3.87Å
312	F	95.5	Very high	93.9	Very high	17 Å²	17	78.3 Å²	78.3	8%	0.075	39%	0.389	C	S	.	.			trans	-156.5	155.5	171	54.9	-91.4	0	0	0	109.3	P306 R310 T314 L591 V603 L621 K622	P306-F312 HydrophobicContact CB-CZ 4.28Å; P306-F312 WeakPolarHBondContact O-CE1 3.33Å; R310-F312 HydrophobicContact CG-CD1 4.21Å; R310-F312 HydrophobicContact CG-CE1 3.67Å; R310-F312 HydrophobicContact CG-CZ 4.42Å; F312-T314 HydrophobicContact CD2-CG2 3.96Å; F312-T314 HydrophobicContact CE2-CG2 3.73Å; F312-L591 HydrophobicContact CB-CD1 4.2Å; F312-L591 HydrophobicContact CB-CD2 4.03Å; F312-V603 HydrophobicContact CB-CG1 4.33Å; F312-L621 HydrophobicContact CB-CD1 3.75Å; F312-L621 HydrophobicContact CD1-CD1 3.79Å; F312-L621 HydrophobicContact CD1-CD2 4.34Å; F312-L621 HydrophobicContact CD1-CG 4.48Å; F312-L621 HydrophobicContact CD2-CB 4.12Å; F312-L621 HydrophobicContact CD2-CD1 4.36Å; F312-L621 HydrophobicContact CE1-CD2 4.29Å; F312-L621 HydrophobicContact CE2-CB 4.25Å; F312-L621 HydrophobicContact CG-CB 4.29Å; F312-L621 HydrophobicContact CG-CD1 3.72Å; F312-K622 HydrophobicContact CD2-CB 4.22Å; F312-K622 HydrophobicContact CE2-CB 4.08Å
313	P	95.5	Very high	94.2	Very high	0 Å²	0	68.5 Å²	68.5	0%	0	35%	0.347	C	S	.	.			trans	-69.2	138.3	-176.8	22.3	-25.7	0	0	0	112.2	V603 L624 P645 L647 F659 V660	P313-V603 HydrophobicContact CG-CG1 4.44Å; P313-V603 HydrophobicContact CG-CG2 4Å; P313-L624 HydrophobicContact CB-CD1 4.38Å; P313-L624 HydrophobicContact CG-CD1 4.37Å; P313-P645 WeakPolarHBondContact CD-O 3.17Å; P313-L647 HydrophobicContact CB-CB 4.43Å; P313-L647 HydrophobicContact CG-CB 3.89Å; P313-F659 HydrophobicContact CB-CB 3.9Å; P313-F659 WeakPolarHBondContact CB-O 3.29Å; P313-V660 VanDerWaalsContact CA-C 3.47Å; P313-V660 WeakPolarHBondContact CA-OXT 3.38Å
314	T	94.1	Very high	94.4	Very high	59 Å²	59	74.7 Å²	74.7	36%	0.362	37%	0.371	S	S	.	.			trans	-125.5	-39.3	-171.2	57.9	0	0	0	0	114.6	F312 L624 V660	F312-T314 HydrophobicContact CD2-CG2 3.96Å; F312-T314 HydrophobicContact CE2-CG2 3.73Å; T314-L624 WeakPolarHBondContact O-CD2 3.11Å; T314-V660 PolarHBondContact N-O 3.08Å; T314-V660 PolarHBondContact OG1-O 3.12Å; T314-V660 VanDerWaalsContact OG1-O 3.13Å
315	K	93.5	Very high	94.4	Very high	141 Å²	141	74 Å²	74	61%	0.613	37%	0.369	S	S	*	.	S	Bend	trans	-133.9	151.4	-173.6	64.2	177.9	-178.6	176	0	111	V317 F659 V660	K315-V317 HydrophobicContact CG-CG2 4.31Å; K315-F659 VanDerWaalsContact O-CA 3.27Å; K315-F659 WeakPolarHBondContact O-CA 3.38Å; K315-V660 PolarHBondContact N-O 3.15Å; K315-V660 PolarHBondContact O-N 3.43Å
316	E	94.5	Very high	94.5	Very high	64 Å²	64	67.7 Å²	67.7	30%	0.299	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.3	131	168.6	-174.7	177	162.8	0	0	108.8	R657 L658 F659	E316-R657 HydrophobicContact CG-CB 4.45Å; E316-R657 WeakPolarHBondContact OE1-CD 3.44Å; E316-R657 IonicContact OE1-CZ 3.81Å; E316-R657 IonicContact OE1-NE 3.74Å; E316-R657 IonicContact OE1-NH1 3.6Å; E316-R657 PolarHBondContact OE1-NH1 2.52Å; E316-R657 IonicContact OE2-CZ 3.25Å; E316-R657 IonicContact OE2-NH1 2.88Å; E316-R657 PolarHBondContact OE2-NH1 2.78Å; E316-L658 WeakPolarHBondContact CA-O 3.4Å; E316-F659 HydrophobicContact CB-CD1 4.02Å; E316-F659 HydrophobicContact CB-CE1 3.68Å; E316-F659 HydrophobicContact CB-CZ 4.28Å; E316-F659 HydrophobicContact CG-CE1 4.39Å
317	V	94.6	Very high	94.6	Very high	76 Å²	76	65.2 Å²	65.2	46%	0.461	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112	-46.7	177.9	-178.7	0	0	0	0	111.1	K315 L658 V660	K315-V317 HydrophobicContact CG-CG2 4.31Å; V317-L658 PolarHBondContact N-O 3.14Å; V317-V660 HydrophobicContact CB-CG2 4.26Å; V317-V660 HydrophobicContact CG2-CB 3.71Å; V317-V660 HydrophobicContact CG2-CG2 3.74Å
318	L	95.4	Very high	94.8	Very high	44 Å²	44	63.2 Å²	63.2	23%	0.23	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	143.2	-178.8	-61.8	174.5	0	0	0	111.3	Y320 A354 R657 L658	L318-Y320 HydrophobicContact CB-CE2 4.22Å; L318-A354 VanDerWaalsContact CD1-O 3.3Å; L318-A354 WeakPolarHBondContact CD1-O 3.33Å; L318-R657 WeakPolarHBondContact O-CA 3.25Å; L318-L658 HydrophobicContact CB-CB 4.11Å; L318-L658 HydrophobicContact CB-CD2 4.42Å; L318-L658 HydrophobicContact CD1-CD2 3.92Å; L318-L658 HydrophobicContact CG-CD2 4.31Å; L318-L658 PolarHBondContact O-N 3.42Å
319	K	95.1	Very high	94.9	Very high	74 Å²	74	57.1 Å²	57.1	32%	0.322	28%	0.282	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	112.3	171.4	-173.7	167.8	179.1	166.4	0	108.8	K321 T655 R657	K319-K321 HydrophobicContact CG-CG 4.06Å; K319-K321 PolarHBondContact O-N 2.96Å; K319-T655 HydrophobicContact CD-CG2 4.34Å; K319-T655 HydrophobicContact CG-CG2 4.28Å; K319-R657 HydrophobicContact CG-CG 4.32Å
320	Y	96.1	Very high	95	Very high	2 Å²	2	56 Å²	56	1%	0.008	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	105.1	177.8	-52.1	-102.7	0	0	0	108.1	L318 W351 D352 A353 G356 F648 V656 L658	L318-Y320 HydrophobicContact CB-CE2 4.22Å; Y320-W351 HydrophobicContact CD1-CB 3.62Å; Y320-W351 AromaticContact CD1-CD2 3.77Å; Y320-W351 HydrophobicContact CD1-CD2 3.77Å; Y320-W351 AromaticContact CD1-CE3 3.73Å; Y320-W351 HydrophobicContact CD1-CE3 3.73Å; Y320-W351 AromaticContact CD1-CG 3.73Å; Y320-W351 HydrophobicContact CD1-CG 3.73Å; Y320-W351 HydrophobicContact CE1-CB 3.79Å; Y320-W351 HydrophobicContact CE1-CG 4.36Å; Y320-W351 HydrophobicContact CG-CD2 4.25Å; Y320-W351 HydrophobicContact CG-CE3 4.28Å; Y320-W351 HydrophobicContact CG-CG 4.4Å; Y320-D352 WeakPolarHBondContact CE1-O 3.38Å; Y320-A353 PolarHBondContact OH-O 2.82Å; Y320-G356 VanDerWaalsContact CE1-CA 3.41Å; Y320-F648 HydrophobicContact CE2-CD1 4.26Å; Y320-F648 HydrophobicContact CE2-CE1 4.36Å; Y320-F648 WeakPolarHBondContact OH-CE1 3.22Å; Y320-V656 HydrophobicContact CD2-CB 3.88Å; Y320-V656 HydrophobicContact CD2-CG1 3.83Å; Y320-V656 WeakPolarHBondContact CD2-O 3.47Å; Y320-V656 HydrophobicContact CE2-CG1 4.36Å; Y320-V656 HydrophobicContact CG-CB 4.23Å; Y320-V656 HydrophobicContact CG-CG1 4.48Å; Y320-V656 PolarHBondContact N-O 2.67Å; Y320-V656 PolarHBondContact O-N 3.34Å; Y320-L658 HydrophobicContact CE2-CB 3.96Å
321	K	94.6	Very high	95.2	Very high	150 Å²	150	48.7 Å²	48.7	65%	0.652	25%	0.251	S	S	*	.			trans	-100.9	137	-179.5	-64.1	-177.2	-178	178.6	0	110	K319 W351	K319-K321 HydrophobicContact CG-CG 4.06Å; K319-K321 PolarHBondContact O-N 2.96Å; K321-W351 WeakPolarHBondContact O-CH2 3.34Å
322	G	92.7	Very high	95.2	Very high	31 Å²	31	46.5 Å²	46.5	32%	0.32	24%	0.236	S	C	.	.			trans	159.1	-26.8	164.2	0	0	0	0	0	114.8	R349	G322-R349 VanDerWaalsContact C-NH2 3.34Å; G322-R349 PolarHBondContact O-NH1 2.93Å; G322-R349 PolarHBondContact O-NH2 2.96Å
323	H	95.6	Very high	95	Very high	10 Å²	10	46 Å²	46	5%	0.046	23%	0.234	C	C	.	.			trans	-58.5	148.4	171.4	-82.2	-64.8	0	0	0	110.7	V327 S341 S343 D345 T347 R349 S654	H323-V327 HydrophobicContact CB-CG2 3.98Å; H323-S341 PolarHBondContact CD2-OG 3.43Å; H323-S341 PolarHBondContact NE2-OG 3.49Å; H323-S343 VanDerWaalsContact CE1-CB 3.42Å; H323-S343 WeakPolarHBondContact CE1-CB 3.33Å; H323-S343 WeakPolarHBondContact ND1-CB 3.29Å; H323-D345 VanDerWaalsContact CA-OD2 3.28Å; H323-D345 WeakPolarHBondContact CA-OD2 3.48Å; H323-D345 IonicContact CE1-OD1 2.76Å; H323-D345 IonicContact CG-OD2 3.65Å; H323-D345 IonicContact ND1-OD1 3.54Å; H323-D345 PolarHBondContact ND1-OD1 2.91Å; H323-D345 IonicContact ND1-OD2 3.51Å; H323-D345 PolarHBondContact ND1-OD2 3.3Å; H323-T347 PolarHBondContact CE1-O 2.86Å; H323-T347 PolarHBondContact CE1-OG1 2.92Å; H323-T347 VanDerWaalsContact CE1-OG1 3.3Å; H323-T347 PolarHBondContact ND1-OG1 3.05Å; H323-R349 VanDerWaalsContact CE1-CG 3.49Å; H323-R349 WeakPolarHBondContact CE1-CG 3.48Å; H323-S654 WeakPolarHBondContact CB-O 3.27Å
324	K	95.1	Very high	94.8	Very high	186 Å²	186	47.5 Å²	47.5	81%	0.809	24%	0.244	S	C	*	.	S	Bend	trans	-99.7	-9.7	-177.4	-62.9	-179.3	-179.8	176.7	0	113.4	D345	K324-D345 HydrophobicContact CB-CB 4.05Å; K324-D345 PolarHBondContact N-OD2 3.3Å
325	A	95.1	Very high	94.6	Very high	29 Å²	29	47.4 Å²	47.4	24%	0.24	24%	0.243	C	C	.	.	S	Bend	trans	-143.5	178.5	-179.5	0	0	0	0	0	110.4	V327 S343 Q344 D345 S654	A325-V327 PolarHBondContact O-N 2.86Å; A325-S343 PolarHBondContact O-OG 3.01Å; A325-Q344 HydrophobicContact CB-CB 3.86Å; A325-D345 HydrophobicContact CB-CB 4.04Å; A325-S654 VanDerWaalsContact O-CA 3.27Å; A325-S654 WeakPolarHBondContact O-CA 3.23Å; A325-S654 WeakPolarHBondContact O-CB 3.32Å
326	A	95.4	Very high	94.5	Very high	8 Å²	8	40.7 Å²	40.7	7%	0.066	21%	0.214	C	C	.	.			trans	-53.9	138.4	-178.3	0	0	0	0	0	111.9	L328 S343 Q344 L636	A326-L328 HydrophobicContact CB-CD2 4.35Å; A326-S343 WeakPolarHBondContact O-CA 3.47Å; A326-S343 WeakPolarHBondContact O-CB 3.47Å; A326-S343 PolarHBondContact O-OG 3.09Å; A326-Q344 PolarHBondContact O-N 2.93Å; A326-L636 HydrophobicContact CB-CD1 4.22Å
327	V	96.8	Very high	94.4	Very high	0 Å²	0	41.7 Å²	41.7	0%	0	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93	111	176	-177.9	0	0	0	0	107.4	H323 A325 G342 L636 C650 G651 V656	H323-V327 HydrophobicContact CB-CG2 3.98Å; A325-V327 PolarHBondContact O-N 2.86Å; V327-G342 CarbonylContact C-O 3.54Å; V327-G342 WeakPolarHBondContact CG1-O 3.43Å; V327-L636 WeakPolarHBondContact O-CD1 3.18Å; V327-C650 HydrophobicContact CB-CB 3.83Å; V327-C650 HydrophobicContact CG1-CB 3.56Å; V327-C650 PolarHBondContact O-SG 2.7Å; V327-G651 PolarHBondContact N-O 2.78Å; V327-G651 VanDerWaalsContact N-O 3.14Å; V327-V656 HydrophobicContact CG1-CG2 4Å; V327-V656 HydrophobicContact CG2-CG2 4.44Å
328	L	95.4	Very high	94.4	Very high	32 Å²	32	40.9 Å²	40.9	17%	0.168	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.2	-30.2	-170.5	-60.8	-172.9	0	0	0	113.2	A326 G342 Q344 L636	A326-L328 HydrophobicContact CB-CD2 4.35Å; L328-G342 PolarHBondContact N-O 3.3Å; L328-Q344 HydrophobicContact CD1-CG 3.63Å; L328-Q344 HydrophobicContact CD2-CG 3.98Å; L328-Q344 HydrophobicContact CG-CG 3.8Å; L328-L636 HydrophobicContact CD2-CD1 3.65Å
329	S	96.1	Very high	94.4	Very high	3 Å²	3	38.8 Å²	38.8	2%	0.021	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	147.9	-175.5	65.9	0	0	0	0	112.1	G342 S370 V371 D637	S329-G342 PolarHBondContact N-O 3.42Å; S329-G342 PolarHBondContact O-N 3.02Å; S329-S370 WeakPolarHBondContact OG-CA 3.44Å; S329-V371 WeakPolarHBondContact OG-CG2 3.49Å; S329-V371 PolarHBondContact OG-N 3.5Å; S329-V371 VanDerWaalsContact OG-N 3.11Å; S329-D637 WeakPolarHBondContact CA-OD2 3.26Å
330	L	96.1	Very high	94.5	Very high	4 Å²	4	35.3 Å²	35.3	2%	0.021	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	140.7	-179.2	-169.3	71.5	0	0	0	109.4	V339 L340 D637 V639 F648 C650 V656	L330-V339 HydrophobicContact CD1-CG1 3.39Å; L330-V339 HydrophobicContact CD2-CG1 4.48Å; L330-V339 HydrophobicContact CG-CG1 4Å; L330-L340 WeakPolarHBondContact CA-O 3.08Å; L330-D637 HydrophobicContact CB-CB 4.5Å; L330-D637 PolarHBondContact N-OD2 3.04Å; L330-D637 VanDerWaalsContact N-OD2 3.09Å; L330-V639 WeakPolarHBondContact O-CG2 2.96Å; L330-F648 HydrophobicContact CD2-CB 3.4Å; L330-C650 HydrophobicContact CB-CB 4.4Å; L330-V656 HydrophobicContact CD1-CB 4.46Å; L330-V656 HydrophobicContact CD1-CG1 3.73Å; L330-V656 HydrophobicContact CD1-CG2 3.85Å; L330-V656 HydrophobicContact CD2-CG1 3.79Å; L330-V656 HydrophobicContact CG-CG1 4.44Å
331	D	96.3	Very high	94.5	Very high	32 Å²	32	35.2 Å²	35.2	17%	0.171	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.7	154.2	167.7	-162.8	17.7	0	0	0	111.7	L340 A372 W373	D331-L340 PolarHBondContact N-O 3.18Å; D331-L340 PolarHBondContact O-N 3.32Å; D331-A372 VanDerWaalsContact OD2-CA 3.31Å; D331-A372 WeakPolarHBondContact OD2-CA 3.42Å; D331-W373 PolarHBondContact O-NE1 3.03Å; D331-W373 PolarHBondContact OD2-N 2.82Å
332	I	95	Very high	94.6	Very high	14 Å²	14	28 Å²	28	7%	0.072	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	143.3	178.9	-167.2	159.1	0	0	0	110.4	V339 V639 H641 F648	I332-V339 HydrophobicContact CD1-CG2 4.17Å; I332-V339 HydrophobicContact CG1-CG2 4.28Å; I332-V639 HydrophobicContact CB-CG1 4.35Å; I332-V639 HydrophobicContact CG2-CG1 3.7Å; I332-H641 HydrophobicContact CD1-CB 4.32Å; I332-F648 HydrophobicContact CD1-CD2 4.13Å; I332-F648 HydrophobicContact CD1-CE2 3.42Å; I332-F648 VanDerWaalsContact CD1-CE2 3.42Å; I332-F648 HydrophobicContact CD1-CZ 3.97Å
333	N	92.7	Very high	94.8	Very high	8 Å²	8	26.6 Å²	26.6	4%	0.043	14%	0.138	C	C	.	.			trans	-69.1	159.6	178.2	82	-40.2	0	0	0	111.3	T335 G336 D337 Y338 W373	N333-T335 PolarHBondContact ND2-OG1 3.11Å; N333-T335 PolarHBondContact O-N 3.22Å; N333-T335 VanDerWaalsContact O-N 3.1Å; N333-G336 PolarHBondContact O-N 3.04Å; N333-G336 WeakPolarHBondContact OD1-CA 3.19Å; N333-G336 PolarHBondContact OD1-N 2.94Å; N333-D337 PolarHBondContact OD1-N 2.83Å; N333-Y338 PolarHBondContact N-O 3.22Å; N333-Y338 WeakPolarHBondContact ND2-CD2 3.38Å; N333-Y338 PolarHBondContact OD1-N 3.34Å; N333-Y338 PolarHBondContact OD1-O 3.34Å; N333-W373 HydrophobicContact CB-CD2 3.87Å; N333-W373 HydrophobicContact CB-CE3 4.23Å; N333-W373 HydrophobicContact CB-CG 4.17Å; N333-W373 HydrophobicContact CB-CZ2 4.31Å
334	P	91.3	Very high	94.7	Very high	31 Å²	31	29.5 Å²	29.5	20%	0.201	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-21.1	-177.4	-24.5	34	0	0	0	115.1	R374 A377 Y643	P334-R374 WeakPolarHBondContact CG-O 3.5Å; P334-A377 HydrophobicContact CB-CB 4.36Å; P334-Y643 PolarHBondContact O-OH 3.47Å
335	T	89.7	Confident	94.7	Very high	56 Å²	56	22.1 Å²	22.1	34%	0.344	12%	0.121	S	C	.	.	T	Hydrogen-bonded Turn	trans	-83.7	-23	176.2	73	0	0	0	0	112.5	N333 D337 A377 Y643	N333-T335 PolarHBondContact ND2-OG1 3.11Å; N333-T335 PolarHBondContact O-N 3.22Å; N333-T335 VanDerWaalsContact O-N 3.1Å; T335-D337 WeakPolarHBondContact CB-OD2 3.1Å; T335-D337 PolarHBondContact OG1-OD2 2.78Å; T335-A377 HydrophobicContact CG2-CB 4.39Å; T335-Y643 VanDerWaalsContact O-CE2 3.31Å; T335-Y643 WeakPolarHBondContact O-CE2 3.06Å
336	G	91.8	Very high	94.7	Very high	1 Å²	1	25.5 Å²	25.5	1%	0.01	13%	0.13	C	C	.	.	S	Bend	trans	93.1	-4.8	-179.9	0	0	0	0	0	115	N333 A353 H641	N333-G336 PolarHBondContact O-N 3.04Å; N333-G336 WeakPolarHBondContact OD1-CA 3.19Å; N333-G336 PolarHBondContact OD1-N 2.94Å; G336-A353 WeakPolarHBondContact O-CB 3.34Å; G336-H641 WeakPolarHBondContact CA-NE2 3.3Å; G336-H641 PolarHBondContact O-CD2 3.28Å; G336-H641 PolarHBondContact O-NE2 3.28Å
337	D	92.4	Very high	94.7	Very high	84 Å²	84	25.8 Å²	25.8	45%	0.449	13%	0.131	S	C	.	.	S	Bend	trans	-83.4	-23.7	-173.9	-51.3	-53	0	0	0	113.2	N333 T335 A353	N333-D337 PolarHBondContact OD1-N 2.83Å; T335-D337 WeakPolarHBondContact CB-OD2 3.1Å; T335-D337 PolarHBondContact OG1-OD2 2.78Å; D337-A353 VanDerWaalsContact O-CB 3.29Å; D337-A353 WeakPolarHBondContact O-CB 3.48Å; D337-A353 PolarHBondContact O-N 3.4Å
338	Y	94.1	Very high	94.7	Very high	59 Å²	59	25.8 Å²	25.8	23%	0.231	13%	0.131	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	129.9	-170.7	-55.1	-65.5	0	0	0	112.5	N333 W351 L359 I397	N333-Y338 PolarHBondContact N-O 3.22Å; N333-Y338 WeakPolarHBondContact ND2-CD2 3.38Å; N333-Y338 PolarHBondContact OD1-N 3.34Å; N333-Y338 PolarHBondContact OD1-O 3.34Å; Y338-W351 WeakPolarHBondContact CA-O 3.35Å; Y338-L359 HydrophobicContact CD1-CD1 3.6Å; Y338-L359 HydrophobicContact CE1-CD1 3.5Å; Y338-I397 HydrophobicContact CD1-CG2 4.12Å; Y338-I397 HydrophobicContact CD2-CG2 3.6Å; Y338-I397 HydrophobicContact CE1-CG2 3.71Å; Y338-I397 HydrophobicContact CE2-CG2 3.17Å; Y338-I397 HydrophobicContact CG-CG2 4.07Å
339	V	95.8	Very high	94.7	Very high	1 Å²	1	25.8 Å²	25.8	1%	0.006	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	135.9	176.6	179.5	0	0	0	0	109.1	L330 I332 L350 W351 A353 F648	L330-V339 HydrophobicContact CD1-CG1 3.39Å; L330-V339 HydrophobicContact CD2-CG1 4.48Å; L330-V339 HydrophobicContact CG-CG1 4Å; I332-V339 HydrophobicContact CD1-CG2 4.17Å; I332-V339 HydrophobicContact CG1-CG2 4.28Å; V339-L350 WeakPolarHBondContact O-CA 3.23Å; V339-W351 HydrophobicContact CB-CB 4.32Å; V339-W351 PolarHBondContact N-O 3.02Å; V339-W351 PolarHBondContact O-N 3.29Å; V339-A353 HydrophobicContact CG2-CB 4.03Å; V339-F648 HydrophobicContact CG2-CD1 3.91Å; V339-F648 HydrophobicContact CG2-CE1 3.58Å; V339-F648 HydrophobicContact CG2-CE2 4.27Å; V339-F648 HydrophobicContact CG2-CG 4.38Å; V339-F648 HydrophobicContact CG2-CZ 3.79Å
340	L	95.6	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	123.4	179.3	-166	64.2	0	0	0	109.4	L330 D331 V348 R349 L350 V371 W373 A382 L395	L330-L340 WeakPolarHBondContact CA-O 3.08Å; D331-L340 PolarHBondContact N-O 3.18Å; D331-L340 PolarHBondContact O-N 3.32Å; L340-V348 HydrophobicContact CD1-CG1 3.22Å; L340-V348 HydrophobicContact CD2-CG1 4.22Å; L340-V348 HydrophobicContact CG-CG1 3.65Å; L340-R349 WeakPolarHBondContact CA-O 2.91Å; L340-L350 HydrophobicContact CD1-CB 4.27Å; L340-L350 HydrophobicContact CD1-CD1 4.12Å; L340-V371 HydrophobicContact CB-CG1 3.92Å; L340-V371 HydrophobicContact CD2-CG1 3.25Å; L340-V371 HydrophobicContact CG-CG1 3.51Å; L340-W373 HydrophobicContact CB-CZ2 3.92Å; L340-W373 HydrophobicContact CD1-CZ2 4.4Å; L340-W373 HydrophobicContact CD2-CZ2 3.95Å; L340-W373 HydrophobicContact CG-CZ2 4.34Å; L340-A382 HydrophobicContact CD2-CB 3.53Å; L340-L395 HydrophobicContact CD1-CD1 3.41Å; L340-L395 VanDerWaalsContact CD1-CD1 3.41Å; L340-L395 HydrophobicContact CD2-CD1 3.69Å; L340-L395 HydrophobicContact CG-CD1 4.22Å
341	S	97	Very high	94.6	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.129	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.7	179.2	62.2	0	0	0	0	111.4	H323 V348 R349 W351	H323-S341 PolarHBondContact CD2-OG 3.43Å; H323-S341 PolarHBondContact NE2-OG 3.49Å; S341-V348 CarbonylContact O-C 3.58Å; S341-V348 VanDerWaalsContact O-CA 3.27Å; S341-V348 WeakPolarHBondContact O-CA 3.4Å; S341-R349 PolarHBondContact N-O 3.3Å; S341-R349 PolarHBondContact O-N 3.5Å; S341-R349 PolarHBondContact OG-O 2.79Å; S341-W351 PolarHBondContact OG-NE1 2.96Å
342	G	96.1	Very high	94.5	Very high	0 Å²	0	26.4 Å²	26.4	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	133.2	174	0	0	0	0	0	111	V327 L328 S329	V327-G342 CarbonylContact C-O 3.54Å; V327-G342 WeakPolarHBondContact CG1-O 3.43Å; L328-G342 PolarHBondContact N-O 3.3Å; S329-G342 PolarHBondContact N-O 3.42Å; S329-G342 PolarHBondContact O-N 3.02Å
343	S	96.7	Very high	94.5	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.13	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	161.1	-175.8	175.2	0	0	0	0	112.5	H323 A325 A326 D345 K346 T347 V368	H323-S343 VanDerWaalsContact CE1-CB 3.42Å; H323-S343 WeakPolarHBondContact CE1-CB 3.33Å; H323-S343 WeakPolarHBondContact ND1-CB 3.29Å; A325-S343 PolarHBondContact O-OG 3.01Å; A326-S343 WeakPolarHBondContact O-CA 3.47Å; A326-S343 WeakPolarHBondContact O-CB 3.47Å; A326-S343 PolarHBondContact O-OG 3.09Å; S343-D345 VanDerWaalsContact CB-OD1 3.28Å; S343-D345 WeakPolarHBondContact CB-OD1 3.45Å; S343-D345 PolarHBondContact O-N 2.88Å; S343-D345 PolarHBondContact OG-N 2.69Å; S343-D345 VanDerWaalsContact OG-N 3.14Å; S343-D345 PolarHBondContact OG-OD1 3.37Å; S343-K346 PolarHBondContact O-N 2.85Å; S343-T347 PolarHBondContact N-O 2.84Å; S343-V368 PolarHBondContact O-N 2.87Å
344	Q	95.1	Very high	94.4	Very high	72 Å²	72	29 Å²	29	34%	0.336	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-63.5	-15.5	167.3	-69.4	177.9	-34.6	0	0	112.9	A325 A326 L328 K346	A325-Q344 HydrophobicContact CB-CB 3.86Å; A326-Q344 PolarHBondContact O-N 2.93Å; L328-Q344 HydrophobicContact CD1-CG 3.63Å; L328-Q344 HydrophobicContact CD2-CG 3.98Å; L328-Q344 HydrophobicContact CG-CG 3.8Å; Q344-K346 PolarHBondContact O-N 3.41Å
345	D	95	Very high	94.5	Very high	30 Å²	30	30.6 Å²	30.6	16%	0.16	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.5	6.6	174	74	5.4	0	0	0	113.7	H323 K324 A325 S343 T347	H323-D345 VanDerWaalsContact CA-OD2 3.28Å; H323-D345 WeakPolarHBondContact CA-OD2 3.48Å; H323-D345 IonicContact CE1-OD1 2.76Å; H323-D345 IonicContact CG-OD2 3.65Å; H323-D345 IonicContact ND1-OD1 3.54Å; H323-D345 PolarHBondContact ND1-OD1 2.91Å; H323-D345 IonicContact ND1-OD2 3.51Å; H323-D345 PolarHBondContact ND1-OD2 3.3Å; K324-D345 HydrophobicContact CB-CB 4.05Å; K324-D345 PolarHBondContact N-OD2 3.3Å; A325-D345 HydrophobicContact CB-CB 4.04Å; S343-D345 VanDerWaalsContact CB-OD1 3.28Å; S343-D345 WeakPolarHBondContact CB-OD1 3.45Å; S343-D345 PolarHBondContact O-N 2.88Å; S343-D345 PolarHBondContact OG-N 2.69Å; S343-D345 VanDerWaalsContact OG-N 3.14Å; S343-D345 PolarHBondContact OG-OD1 3.37Å; D345-T347 VanDerWaalsContact CG-OG1 3.26Å; D345-T347 PolarHBondContact O-N 3.27Å; D345-T347 WeakPolarHBondContact OD1-CB 3.35Å; D345-T347 PolarHBondContact OD1-N 2.75Å; D345-T347 PolarHBondContact OD1-OG1 2.94Å; D345-T347 PolarHBondContact OD2-OG1 2.94Å
346	K	95.3	Very high	94.6	Very high	101 Å²	101	28.8 Å²	28.8	44%	0.439	16%	0.161	S	C	.	.	S	Bend	trans	67	17.4	178.3	-49.2	170.7	170.3	-166.5	0	113.7	S343 Q344 I364 G365 E366	S343-K346 PolarHBondContact O-N 2.85Å; Q344-K346 PolarHBondContact O-N 3.41Å; K346-I364 PolarHBondContact O-N 3.16Å; K346-G365 WeakPolarHBondContact CD-O 3.45Å; K346-E366 WeakPolarHBondContact CA-O 3.45Å; K346-E366 WeakPolarHBondContact CB-O 3.38Å
347	T	95.2	Very high	94.7	Very high	13 Å²	13	37.3 Å²	37.3	8%	0.08	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.7	145.9	175.4	74.8	0	0	0	0	111.5	H323 S343 D345 V361 V362 E363	H323-T347 PolarHBondContact CE1-O 2.86Å; H323-T347 PolarHBondContact CE1-OG1 2.92Å; H323-T347 VanDerWaalsContact CE1-OG1 3.3Å; H323-T347 PolarHBondContact ND1-OG1 3.05Å; S343-T347 PolarHBondContact N-O 2.84Å; D345-T347 VanDerWaalsContact CG-OG1 3.26Å; D345-T347 PolarHBondContact O-N 3.27Å; D345-T347 WeakPolarHBondContact OD1-CB 3.35Å; D345-T347 PolarHBondContact OD1-N 2.75Å; D345-T347 PolarHBondContact OD1-OG1 2.94Å; D345-T347 PolarHBondContact OD2-OG1 2.94Å; T347-V361 HydrophobicContact CG2-CG1 4.16Å; T347-V362 CarbonylContact C-O 3.56Å; T347-V362 WeakPolarHBondContact CA-O 3.4Å; T347-E363 HydrophobicContact CG2-CG 4.17Å
348	V	95.4	Very high	94.8	Very high	1 Å²	1	35.3 Å²	35.3	1%	0.006	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	131.7	160.3	165.5	0	0	0	0	108.4	L340 S341 V362 I364 V368 V371 I384	L340-V348 HydrophobicContact CD1-CG1 3.22Å; L340-V348 HydrophobicContact CD2-CG1 4.22Å; L340-V348 HydrophobicContact CG-CG1 3.65Å; S341-V348 CarbonylContact O-C 3.58Å; S341-V348 VanDerWaalsContact O-CA 3.27Å; S341-V348 WeakPolarHBondContact O-CA 3.4Å; V348-V362 PolarHBondContact N-O 2.97Å; V348-V362 PolarHBondContact O-N 3Å; V348-I364 HydrophobicContact CB-CD1 4.06Å; V348-I364 HydrophobicContact CG2-CD1 3.48Å; V348-I364 VanDerWaalsContact CG2-CD1 3.48Å; V348-V368 HydrophobicContact CG2-CB 4.37Å; V348-V368 HydrophobicContact CG2-CG1 3.85Å; V348-V368 HydrophobicContact CG2-CG2 3.88Å; V348-V371 HydrophobicContact CG2-CG2 4.11Å; V348-I384 HydrophobicContact CB-CD1 4.28Å; V348-I384 HydrophobicContact CG1-CD1 4.16Å; V348-I384 HydrophobicContact CG2-CD1 4.01Å; V348-I384 HydrophobicContact CG2-CG1 4.46Å; V348-I384 HydrophobicContact CG2-CG2 3.92Å
349	R	95.4	Very high	94.8	Very high	32 Å²	32	36.3 Å²	36.3	12%	0.121	19%	0.194	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	132.8	-179.8	-65.4	-174.5	-177.7	-147.6	7.4	110.8	G322 H323 L340 S341 W351 R360 V361	G322-R349 VanDerWaalsContact C-NH2 3.34Å; G322-R349 PolarHBondContact O-NH1 2.93Å; G322-R349 PolarHBondContact O-NH2 2.96Å; H323-R349 VanDerWaalsContact CE1-CG 3.49Å; H323-R349 WeakPolarHBondContact CE1-CG 3.48Å; L340-R349 WeakPolarHBondContact CA-O 2.91Å; S341-R349 PolarHBondContact N-O 3.3Å; S341-R349 PolarHBondContact O-N 3.5Å; S341-R349 PolarHBondContact OG-O 2.79Å; R349-W351 HydrophobicContact CB-CZ2 3.69Å; R349-W351 VanDerWaalsContact CD-CZ2 3.46Å; R349-W351 HydrophobicContact CG-CZ2 4.24Å; R349-W351 PolarHBondContact O-NE1 2.82Å; R349-R360 WeakPolarHBondContact CA-O 3.32Å; R349-V361 HydrophobicContact CG-CG1 4.2Å; R349-V361 HydrophobicContact CG-CG2 4.14Å
350	L	95.2	Very high	94.6	Very high	5 Å²	5	39 Å²	39	3%	0.026	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	127.1	172.7	-178.5	76.7	0	0	0	108.8	V339 L340 C358 L359 R360 W373 L395 I397	V339-L350 WeakPolarHBondContact O-CA 3.23Å; L340-L350 HydrophobicContact CD1-CB 4.27Å; L340-L350 HydrophobicContact CD1-CD1 4.12Å; L350-C358 CarbonylContact O-C 3.59Å; L350-L359 HydrophobicContact CD2-CB 3.86Å; L350-L359 HydrophobicContact CD2-CD1 4.08Å; L350-L359 HydrophobicContact CG-CB 4.28Å; L350-L359 HydrophobicContact CG-CD1 4.43Å; L350-L359 PolarHBondContact O-N 2.86Å; L350-R360 HydrophobicContact CB-CB 4.05Å; L350-R360 HydrophobicContact CD2-CB 4.27Å; L350-R360 PolarHBondContact N-O 2.94Å; L350-R360 PolarHBondContact O-N 2.91Å; L350-W373 HydrophobicContact CD1-CH2 4.2Å; L350-W373 HydrophobicContact CD1-CZ2 3.76Å; L350-L395 HydrophobicContact CD1-CD1 4.32Å; L350-I397 HydrophobicContact CD1-CD1 3.45Å; L350-I397 VanDerWaalsContact CD1-CD1 3.45Å; L350-I397 HydrophobicContact CD2-CD1 3.18Å; L350-I397 HydrophobicContact CD2-CG1 3.42Å; L350-I397 VanDerWaalsContact CD2-CG1 3.42Å; L350-I397 HydrophobicContact CG-CD1 3.91Å
351	W	95.7	Very high	94.5	Very high	4 Å²	4	42.3 Å²	42.3	2%	0.015	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	144.4	179.2	-47.8	89.3	0	0	0	110.3	Y320 K321 Y338 V339 S341 R349 R357 C358	Y320-W351 HydrophobicContact CD1-CB 3.62Å; Y320-W351 AromaticContact CD1-CD2 3.77Å; Y320-W351 HydrophobicContact CD1-CD2 3.77Å; Y320-W351 AromaticContact CD1-CE3 3.73Å; Y320-W351 HydrophobicContact CD1-CE3 3.73Å; Y320-W351 AromaticContact CD1-CG 3.73Å; Y320-W351 HydrophobicContact CD1-CG 3.73Å; Y320-W351 HydrophobicContact CE1-CB 3.79Å; Y320-W351 HydrophobicContact CE1-CG 4.36Å; Y320-W351 HydrophobicContact CG-CD2 4.25Å; Y320-W351 HydrophobicContact CG-CE3 4.28Å; Y320-W351 HydrophobicContact CG-CG 4.4Å; K321-W351 WeakPolarHBondContact O-CH2 3.34Å; Y338-W351 WeakPolarHBondContact CA-O 3.35Å; V339-W351 HydrophobicContact CB-CB 4.32Å; V339-W351 PolarHBondContact N-O 3.02Å; V339-W351 PolarHBondContact O-N 3.29Å; S341-W351 PolarHBondContact OG-NE1 2.96Å; R349-W351 HydrophobicContact CB-CZ2 3.69Å; R349-W351 VanDerWaalsContact CD-CZ2 3.46Å; R349-W351 HydrophobicContact CG-CZ2 4.24Å; R349-W351 PolarHBondContact O-NE1 2.82Å; W351-R357 WeakPolarHBondContact CA-O 3.34Å; W351-C358 HydrophobicContact CD2-CB 4.46Å; W351-C358 HydrophobicContact CE3-CB 3.64Å; W351-C358 HydrophobicContact CH2-CB 4.11Å; W351-C358 HydrophobicContact CZ3-CB 3.45Å; W351-C358 VanDerWaalsContact CZ3-CB 3.45Å
352	D	94.7	Very high	94.3	Very high	43 Å²	43	42.5 Å²	42.5	23%	0.23	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	121	161	174.9	8	0	0	0	109	Y320 A354 S355 G356 R357 L359	Y320-D352 WeakPolarHBondContact CE1-O 3.38Å; D352-A354 VanDerWaalsContact C-N 3.28Å; D352-A354 PolarHBondContact O-N 2.81Å; D352-A354 PolarHBondContact OD1-N 2.9Å; D352-A354 VanDerWaalsContact OD1-N 3.14Å; D352-S355 WeakPolarHBondContact CB-OG 3.4Å; D352-S355 WeakPolarHBondContact OD2-CB 3.17Å; D352-S355 PolarHBondContact OD2-OG 3.23Å; D352-G356 PolarHBondContact O-N 2.95Å; D352-G356 VanDerWaalsContact O-N 3.08Å; D352-R357 PolarHBondContact N-O 2.83Å; D352-L359 HydrophobicContact CB-CD1 4.06Å; D352-L359 HydrophobicContact CB-CD2 4.38Å; D352-L359 HydrophobicContact CB-CG 4.17Å
353	A	94.1	Very high	94.1	Very high	3 Å²	3	48.4 Å²	48.4	3%	0.025	25%	0.253	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.9	-39.1	-176.6	0	0	0	0	0	112.1	Y320 G336 D337 V339 F648	Y320-A353 PolarHBondContact OH-O 2.82Å; G336-A353 WeakPolarHBondContact O-CB 3.34Å; D337-A353 VanDerWaalsContact O-CB 3.29Å; D337-A353 WeakPolarHBondContact O-CB 3.48Å; D337-A353 PolarHBondContact O-N 3.4Å; V339-A353 HydrophobicContact CG2-CB 4.03Å; A353-F648 HydrophobicContact CB-CE1 4.47Å; A353-F648 HydrophobicContact CB-CZ 4.07Å
354	A	92	Very high	93.8	Very high	73 Å²	73	49 Å²	49	60%	0.603	26%	0.256	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.9	-36.6	-172.8	0	0	0	0	0	113.4	L318 D352	L318-A354 VanDerWaalsContact CD1-O 3.3Å; L318-A354 WeakPolarHBondContact CD1-O 3.33Å; D352-A354 VanDerWaalsContact C-N 3.28Å; D352-A354 PolarHBondContact O-N 2.81Å; D352-A354 PolarHBondContact OD1-N 2.9Å; D352-A354 VanDerWaalsContact OD1-N 3.14Å
355	S	92.2	Very high	93.5	Very high	64 Å²	64	47.9 Å²	47.9	45%	0.448	26%	0.264	S	S	.	.	T	Hydrogen-bonded Turn	trans	-95.8	-18.3	-175	69.5	0	0	0	0	114.5	D352 R357	D352-S355 WeakPolarHBondContact CB-OG 3.4Å; D352-S355 WeakPolarHBondContact OD2-CB 3.17Å; D352-S355 PolarHBondContact OD2-OG 3.23Å; S355-R357 PolarHBondContact O-N 2.72Å; S355-R357 VanDerWaalsContact OG-CB 3.29Å; S355-R357 WeakPolarHBondContact OG-CB 3.31Å; S355-R357 PolarHBondContact OG-N 3.08Å
356	G	91.8	Very high	93.4	Very high	19 Å²	19	50 Å²	50	20%	0.196	27%	0.273	C	S	.	.			trans	80.8	-3.5	-171.6	0	0	0	0	0	114.2	Y320 D352	Y320-G356 VanDerWaalsContact CE1-CA 3.41Å; D352-G356 PolarHBondContact O-N 2.95Å; D352-G356 VanDerWaalsContact O-N 3.08Å
357	R	94.5	Very high	93.3	Very high	179 Å²	179	49.5 Å²	49.5	68%	0.675	27%	0.272	S	S	*	.			trans	-72.3	132.2	-173.9	-174.2	177.2	176.9	173.6	0.4	111.2	W351 D352 S355 L359	W351-R357 WeakPolarHBondContact CA-O 3.34Å; D352-R357 PolarHBondContact N-O 2.83Å; S355-R357 PolarHBondContact O-N 2.72Å; S355-R357 VanDerWaalsContact OG-CB 3.29Å; S355-R357 WeakPolarHBondContact OG-CB 3.31Å; S355-R357 PolarHBondContact OG-N 3.08Å; R357-L359 PolarHBondContact O-N 3.19Å
358	C	94.6	Very high	93.3	Very high	42 Å²	42	48.9 Å²	48.9	28%	0.284	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	112.7	167.3	-164.7	0	0	0	0	108.9	L350 W351	L350-C358 CarbonylContact O-C 3.59Å; W351-C358 HydrophobicContact CD2-CB 4.46Å; W351-C358 HydrophobicContact CE3-CB 3.64Å; W351-C358 HydrophobicContact CH2-CB 4.11Å; W351-C358 HydrophobicContact CZ3-CB 3.45Å; W351-C358 VanDerWaalsContact CZ3-CB 3.45Å
359	L	92.9	Very high	93.2	Very high	80 Å²	80	51.7 Å²	51.7	42%	0.419	28%	0.281	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.8	-40	179.7	-65	177	0	0	0	111.5	Y338 L350 D352 R357	Y338-L359 HydrophobicContact CD1-CD1 3.6Å; Y338-L359 HydrophobicContact CE1-CD1 3.5Å; L350-L359 HydrophobicContact CD2-CB 3.86Å; L350-L359 HydrophobicContact CD2-CD1 4.08Å; L350-L359 HydrophobicContact CG-CB 4.28Å; L350-L359 HydrophobicContact CG-CD1 4.43Å; L350-L359 PolarHBondContact O-N 2.86Å; D352-L359 HydrophobicContact CB-CD1 4.06Å; D352-L359 HydrophobicContact CB-CD2 4.38Å; D352-L359 HydrophobicContact CB-CG 4.17Å; R357-L359 PolarHBondContact O-N 3.19Å
360	R	92	Very high	93.2	Very high	57 Å²	57	50.6 Å²	50.6	22%	0.215	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.8	143.3	-177.7	-161.2	172.6	-173.1	-170.2	-3.6	111.4	R349 L350 V362 L395 E438 K439	R349-R360 WeakPolarHBondContact CA-O 3.32Å; L350-R360 HydrophobicContact CB-CB 4.05Å; L350-R360 HydrophobicContact CD2-CB 4.27Å; L350-R360 PolarHBondContact N-O 2.94Å; L350-R360 PolarHBondContact O-N 2.91Å; R360-V362 HydrophobicContact CG-CG2 4.07Å; R360-L395 PolarHBondContact NH1-O 3.32Å; R360-E438 PolarHBondContact NH2-O 3.43Å; R360-K439 PolarHBondContact NH2-O 3.28Å
361	V	94	Very high	93.2	Very high	70 Å²	70	50.7 Å²	50.7	42%	0.424	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	128.1	170.2	-175.2	0	0	0	0	107.2	T347 R349	T347-V361 HydrophobicContact CG2-CG1 4.16Å; R349-V361 HydrophobicContact CG-CG1 4.2Å; R349-V361 HydrophobicContact CG-CG2 4.14Å
362	V	92.6	Very high	93.2	Very high	4 Å²	4	50.9 Å²	50.9	2%	0.024	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	117.3	-179.5	-176.7	0	0	0	0	108.7	T347 V348 R360 L395 K439 F441	T347-V362 CarbonylContact C-O 3.56Å; T347-V362 WeakPolarHBondContact CA-O 3.4Å; V348-V362 PolarHBondContact N-O 2.97Å; V348-V362 PolarHBondContact O-N 3Å; R360-V362 HydrophobicContact CG-CG2 4.07Å; V362-L395 HydrophobicContact CG2-CD2 3.85Å; V362-K439 HydrophobicContact CG1-CB 4.28Å; V362-F441 HydrophobicContact CG1-CE1 3.66Å; V362-F441 HydrophobicContact CG1-CZ 4.18Å
363	E	93	Very high	93.2	Very high	124 Å²	124	49.3 Å²	49.3	58%	0.579	27%	0.273	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.3	118.7	178.4	-61.4	-176.2	165.4	0	0	110.7	T347 K439	T347-E363 HydrophobicContact CG2-CG 4.17Å; E363-K439 PolarHBondContact O-NZ 2.76Å
364	I	89.8	Confident	93.1	Very high	12 Å²	12	50 Å²	50	6%	0.062	28%	0.275	C	S	.	.			trans	-97.2	-28.2	-175.9	-64.5	159	0	0	0	111.9	K346 V348 E366 V368 I384 A386 I391 F441	K346-I364 PolarHBondContact O-N 3.16Å; V348-I364 HydrophobicContact CB-CD1 4.06Å; V348-I364 HydrophobicContact CG2-CD1 3.48Å; V348-I364 VanDerWaalsContact CG2-CD1 3.48Å; I364-E366 VanDerWaalsContact C-N 3.35Å; I364-V368 HydrophobicContact CD1-CG2 3.52Å; I364-I384 HydrophobicContact CD1-CD1 4.23Å; I364-I384 HydrophobicContact CD1-CG2 3.64Å; I364-A386 HydrophobicContact CG2-CB 3.52Å; I364-I391 HydrophobicContact CG2-CD1 3.5Å; I364-I391 VanDerWaalsContact CG2-CD1 3.5Å; I364-F441 HydrophobicContact CB-CZ 4.49Å; I364-F441 HydrophobicContact CG1-CE1 4.4Å; I364-F441 HydrophobicContact CG1-CZ 3.88Å
365	G	89	Confident	93	Very high	49 Å²	49	49.2 Å²	49.2	51%	0.505	26%	0.263	S	S	.	.	S	Bend	trans	92	-12.6	179.8	0	0	0	0	0	114.8	K346	K346-G365 WeakPolarHBondContact CD-O 3.45Å
366	E	91.7	Very high	92.6	Very high	75 Å²	75	48.7 Å²	48.7	35%	0.35	26%	0.256	S	S	.	.	S	Bend	trans	-126.8	158.9	176.1	-67.6	-177.2	-173.7	0	0	110.9	K346 I364 V368 A386 G387	K346-E366 WeakPolarHBondContact CA-O 3.45Å; K346-E366 WeakPolarHBondContact CB-O 3.38Å; I364-E366 VanDerWaalsContact C-N 3.35Å; E366-V368 PolarHBondContact O-N 3.19Å; E366-A386 HydrophobicContact CB-CB 4.04Å; E366-A386 VanDerWaalsContact OE2-O 3.08Å; E366-G387 VanDerWaalsContact OE2-CA 3.26Å; E366-G387 WeakPolarHBondContact OE2-CA 3.44Å; E366-G387 PolarHBondContact OE2-N 3.1Å
367	E	93.2	Very high	92	Very high	90 Å²	90	50.8 Å²	50.8	42%	0.421	27%	0.271	S	S	.	.			trans	-65.2	132.4	177	-65.6	-178.1	-173.5	0	0	111.2	A386 G387	E367-A386 WeakPolarHBondContact O-CA 3.48Å; E367-G387 PolarHBondContact O-N 2.96Å
368	V	95.4	Very high	91.4	Very high	0 Å²	0	50.1 Å²	50.1	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.8	111.5	-176.1	-176	0	0	0	0	109.3	S343 V348 I364 E366 V371 I384 A386	S343-V368 PolarHBondContact O-N 2.87Å; V348-V368 HydrophobicContact CG2-CB 4.37Å; V348-V368 HydrophobicContact CG2-CG1 3.85Å; V348-V368 HydrophobicContact CG2-CG2 3.88Å; I364-V368 HydrophobicContact CD1-CG2 3.52Å; E366-V368 PolarHBondContact O-N 3.19Å; V368-V371 HydrophobicContact CG1-CG2 3.65Å; V368-I384 HydrophobicContact CG1-CG2 3.58Å; V368-I384 HydrophobicContact CG2-CG2 4.43Å; V368-A386 HydrophobicContact CG2-CB 4.5Å
369	Q	94.1	Very high	90.8	Very high	61 Å²	61	49.3 Å²	49.3	29%	0.285	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	-36.1	-175.5	-64.7	-63.6	-42.7	0	0	112.6	A385 I451	Q369-A385 PolarHBondContact N-O 3.12Å; Q369-I451 WeakPolarHBondContact CB-O 3.43Å
370	S	95.2	Very high	90.2	Very high	8 Å²	8	46.7 Å²	46.7	6%	0.056	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.4	137.9	-176.6	179.1	0	0	0	0	110.7	S329 A385 V454	S329-S370 WeakPolarHBondContact OG-CA 3.44Å; S370-A385 PolarHBondContact O-N 3.17Å; S370-V454 PolarHBondContact OG-N 3.08Å; S370-V454 VanDerWaalsContact OG-N 3.13Å
371	V	95.6	Very high	90	Very high	7 Å²	7	44.1 Å²	44.1	4%	0.042	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	138.4	176	171.5	0	0	0	0	107.4	S329 L340 V348 V368 I384	S329-V371 WeakPolarHBondContact OG-CG2 3.49Å; S329-V371 PolarHBondContact OG-N 3.5Å; S329-V371 VanDerWaalsContact OG-N 3.11Å; L340-V371 HydrophobicContact CB-CG1 3.92Å; L340-V371 HydrophobicContact CD2-CG1 3.25Å; L340-V371 HydrophobicContact CG-CG1 3.51Å; V348-V371 HydrophobicContact CG2-CG2 4.11Å; V368-V371 HydrophobicContact CG1-CG2 3.65Å; V371-I384 HydrophobicContact CG2-CG2 4.3Å
372	A	95.6	Very high	89.9	Confident	9 Å²	9	40.8 Å²	40.8	7%	0.074	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-148.3	124.8	175.2	0	0	0	0	0	111.7	D331 A383 V454 W456	D331-A372 VanDerWaalsContact OD2-CA 3.31Å; D331-A372 WeakPolarHBondContact OD2-CA 3.42Å; A372-A383 PolarHBondContact N-O 3.04Å; A372-A383 PolarHBondContact O-N 2.85Å; A372-V454 HydrophobicContact CB-CG1 4.41Å; A372-W456 PolarHBondContact O-NE1 2.87Å
373	W	94.3	Very high	90	Very high	10 Å²	10	40.6 Å²	40.6	4%	0.038	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.3	144.3	170.1	-75.6	101.2	0	0	0	111.1	D331 N333 L340 L350 A382 L395 I397 W456	D331-W373 PolarHBondContact O-NE1 3.03Å; D331-W373 PolarHBondContact OD2-N 2.82Å; N333-W373 HydrophobicContact CB-CD2 3.87Å; N333-W373 HydrophobicContact CB-CE3 4.23Å; N333-W373 HydrophobicContact CB-CG 4.17Å; N333-W373 HydrophobicContact CB-CZ2 4.31Å; L340-W373 HydrophobicContact CB-CZ2 3.92Å; L340-W373 HydrophobicContact CD1-CZ2 4.4Å; L340-W373 HydrophobicContact CD2-CZ2 3.95Å; L340-W373 HydrophobicContact CG-CZ2 4.34Å; L350-W373 HydrophobicContact CD1-CH2 4.2Å; L350-W373 HydrophobicContact CD1-CZ2 3.76Å; W373-A382 HydrophobicContact CD2-CB 4.29Å; W373-A382 HydrophobicContact CE3-CB 4.05Å; W373-A382 HydrophobicContact CZ3-CB 4.2Å; W373-L395 HydrophobicContact CH2-CD1 3.6Å; W373-L395 HydrophobicContact CZ2-CD1 3.91Å; W373-L395 HydrophobicContact CZ3-CD1 4.4Å; W373-I397 HydrophobicContact CH2-CD1 3.65Å; W373-I397 HydrophobicContact CZ2-CD1 4.39Å; W373-W456 PolarHBondContact O-NE1 3.18Å
374	R	92.8	Very high	90.1	Very high	17 Å²	17	34.7 Å²	34.7	6%	0.064	20%	0.195	C	C	.	.			trans	-63.6	128.9	167.8	-174.3	-175.6	-177.5	170.7	0.9	108.6	P334 N376 L379 M381 W456 G460	P334-R374 WeakPolarHBondContact CG-O 3.5Å; R374-N376 PolarHBondContact O-N 3.07Å; R374-L379 VanDerWaalsContact NH1-CB 3.3Å; R374-M381 HydrophobicContact CB-CB 4.22Å; R374-M381 WeakPolarHBondContact CB-O 3.42Å; R374-M381 PolarHBondContact N-O 3.35Å; R374-W456 HydrophobicContact CB-CH2 4.34Å; R374-W456 HydrophobicContact CB-CZ2 4.19Å; R374-W456 HydrophobicContact CG-CE3 4.38Å; R374-W456 HydrophobicContact CG-CH2 4.37Å; R374-W456 HydrophobicContact CG-CZ3 4.21Å; R374-G460 VanDerWaalsContact CZ-O 3.23Å; R374-G460 PolarHBondContact NE-O 2.84Å; R374-G460 PolarHBondContact NH2-O 3.38Å
375	P	88.5	Confident	90.4	Very high	57 Å²	57	34.1 Å²	34.1	37%	0.37	19%	0.192	S	C	.	.	S	Bend	trans	-71.2	-2.2	-174.1	25.8	-34.4	0	0	0	114.7	W456 H457 S458	P375-W456 HydrophobicContact CG-CB 4.04Å; P375-H457 VanDerWaalsContact CG-O 3.26Å; P375-H457 WeakPolarHBondContact CG-O 3.34Å; P375-S458 WeakPolarHBondContact CG-O 3.32Å
376	N	83.9	Confident	90.6	Very high	53 Å²	53	31.8 Å²	31.8	28%	0.283	17%	0.168	S	C	.	.			trans	-106.1	123.4	-178.1	-173.9	-13.5	0	0	0	110.5	R374 K378	R374-N376 PolarHBondContact O-N 3.07Å; N376-K378 VanDerWaalsContact C-N 3.25Å; N376-K378 PolarHBondContact O-N 3.46Å; N376-K378 WeakPolarHBondContact OD1-CG 3.39Å; N376-K378 PolarHBondContact OD1-N 3.19Å
377	A	78.8	Confident	90.5	Very high	62 Å²	62	28.7 Å²	28.7	51%	0.512	16%	0.156	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-15	-178.1	0	0	0	0	0	114.8	P334 T335 L379	P334-A377 HydrophobicContact CB-CB 4.36Å; T335-A377 HydrophobicContact CG2-CB 4.39Å; A377-L379 PolarHBondContact O-N 3.01Å
378	K	82.3	Confident	90.4	Very high	165 Å²	165	26.3 Å²	26.3	72%	0.717	15%	0.149	S	C	*	.	T	Hydrogen-bonded Turn	trans	-62.7	-31.4	-179.2	-69.9	-173.7	-179.8	-171.5	0	113.3	N376	N376-K378 VanDerWaalsContact C-N 3.25Å; N376-K378 PolarHBondContact O-N 3.46Å; N376-K378 WeakPolarHBondContact OD1-CG 3.39Å; N376-K378 PolarHBondContact OD1-N 3.19Å
379	L	81.7	Confident	90.3	Very high	25 Å²	25	28.4 Å²	28.4	13%	0.131	16%	0.157	C	C	.	.	S	Bend	trans	-132	114.6	-175	-69.9	171.6	0	0	0	108	R374 A377 M381 H405 T406 Y409	R374-L379 VanDerWaalsContact NH1-CB 3.3Å; A377-L379 PolarHBondContact O-N 3.01Å; L379-M381 PolarHBondContact O-N 2.68Å; L379-H405 HydrophobicContact CD2-CB 4.32Å; L379-T406 HydrophobicContact CB-CG2 3.8Å; L379-T406 HydrophobicContact CD2-CG2 3.57Å; L379-T406 HydrophobicContact CG-CG2 4.3Å; L379-Y409 HydrophobicContact CD1-CD1 3.91Å; L379-Y409 HydrophobicContact CD1-CD2 4.11Å; L379-Y409 HydrophobicContact CD1-CE1 4.15Å; L379-Y409 HydrophobicContact CD1-CE2 4.37Å; L379-Y409 HydrophobicContact CD1-CG 3.87Å
380	C	81.6	Confident	90.3	Very high	26 Å²	26	25.5 Å²	25.5	18%	0.176	14%	0.144	C	C	.	.			trans	-79.4	96.8	179.6	-168.7	0	0	0	0	109.9	T406	C380-T406 VanDerWaalsContact N-CG2 3.27Å
381	M	87	Confident	90.3	Very high	2 Å²	2	25.1 Å²	25.1	1%	0.01	14%	0.141	C	C	.	.			trans	-142.6	136.9	-173.1	174.4	-179.3	-175.4	0	0	110	R374 L379 F392 F410 W456 I480	R374-M381 HydrophobicContact CB-CB 4.22Å; R374-M381 WeakPolarHBondContact CB-O 3.42Å; R374-M381 PolarHBondContact N-O 3.35Å; L379-M381 PolarHBondContact O-N 2.68Å; M381-F392 HydrophobicContact CE-CB 3.71Å; M381-F392 HydrophobicContact CE-CD1 3.12Å; M381-F392 HydrophobicContact CE-CD2 4.33Å; M381-F392 HydrophobicContact CE-CE1 3.67Å; M381-F392 HydrophobicContact CE-CG 3.46Å; M381-F392 VanDerWaalsContact CE-CG 3.46Å; M381-F392 HydrophobicContact CE-CZ 4.45Å; M381-F410 HydrophobicContact CE-CE1 3.27Å; M381-F410 HydrophobicContact CE-CZ 3.28Å; M381-F410 HydrophobicContact CG-CZ 3.83Å; M381-F410 HydrophobicContact SD-CE1 3.9Å; M381-F410 HydrophobicContact SD-CE2 4.4Å; M381-F410 HydrophobicContact SD-CZ 3.41Å; M381-F410 WeakPolarHBondContact SD-CZ 3.39Å; M381-W456 HydrophobicContact CE-CH2 3.93Å; M381-W456 HydrophobicContact SD-CH2 4.12Å; M381-I480 HydrophobicContact CE-CD1 4.44Å
382	A	92.1	Very high	90.1	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	143.3	173.8	0	0	0	0	0	110.4	L340 W373 F392 V393 L395	L340-A382 HydrophobicContact CD2-CB 3.53Å; W373-A382 HydrophobicContact CD2-CB 4.29Å; W373-A382 HydrophobicContact CE3-CB 4.05Å; W373-A382 HydrophobicContact CZ3-CB 4.2Å; A382-F392 WeakPolarHBondContact O-CA 3.44Å; A382-V393 PolarHBondContact N-O 2.8Å; A382-V393 PolarHBondContact O-N 3.42Å; A382-L395 HydrophobicContact CB-CD1 4.19Å
383	A	94.3	Very high	89.9	Confident	0 Å²	0	24.4 Å²	24.4	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	130.8	168.5	0	0	0	0	0	109.2	A372 V390 I391 F392 V454 W456 L463	A372-A383 PolarHBondContact N-O 3.04Å; A372-A383 PolarHBondContact O-N 2.85Å; A383-V390 HydrophobicContact CB-CG1 4.33Å; A383-I391 WeakPolarHBondContact CA-O 3.23Å; A383-F392 HydrophobicContact CB-CD1 3.93Å; A383-F392 HydrophobicContact CB-CE1 3.86Å; A383-V454 HydrophobicContact CB-CG1 3.81Å; A383-W456 HydrophobicContact CB-CZ2 3.67Å; A383-L463 HydrophobicContact CB-CD1 4.23Å; A383-L463 HydrophobicContact CB-CD2 4.17Å
384	I	95.4	Very high	89.6	Confident	0 Å²	0	23.9 Å²	23.9	0%	0	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	119.7	-177.1	-55.1	169.1	0	0	0	108.1	V348 I364 V368 V371 V390 I391 V393	V348-I384 HydrophobicContact CB-CD1 4.28Å; V348-I384 HydrophobicContact CG1-CD1 4.16Å; V348-I384 HydrophobicContact CG2-CD1 4.01Å; V348-I384 HydrophobicContact CG2-CG1 4.46Å; V348-I384 HydrophobicContact CG2-CG2 3.92Å; I364-I384 HydrophobicContact CD1-CD1 4.23Å; I364-I384 HydrophobicContact CD1-CG2 3.64Å; V368-I384 HydrophobicContact CG1-CG2 3.58Å; V368-I384 HydrophobicContact CG2-CG2 4.43Å; V371-I384 HydrophobicContact CG2-CG2 4.3Å; I384-V390 CarbonylContact O-C 3.51Å; I384-V390 WeakPolarHBondContact O-CA 3.38Å; I384-I391 PolarHBondContact N-O 3.04Å; I384-I391 PolarHBondContact O-N 2.88Å; I384-V393 HydrophobicContact CD1-CB 4.1Å; I384-V393 HydrophobicContact CD1-CG2 3.52Å; I384-V393 HydrophobicContact CG1-CG2 4.36Å
385	A	95.2	Very high	89.1	Confident	0 Å²	0	23.3 Å²	23.3	0%	0	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	113.4	168.8	0	0	0	0	0	110	Q369 S370 R389 I451 V454	Q369-A385 PolarHBondContact N-O 3.12Å; S370-A385 PolarHBondContact O-N 3.17Å; A385-R389 WeakPolarHBondContact CA-O 3.28Å; A385-I451 HydrophobicContact CB-CB 4.04Å; A385-I451 HydrophobicContact CB-CG2 3.62Å; A385-V454 HydrophobicContact CB-CG2 3.52Å
386	A	93.7	Very high	88.8	Confident	0 Å²	0	26.3 Å²	26.3	0%	0	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.5	121.7	172.7	0	0	0	0	0	108.2	I364 E366 E367 V368 C388 R389	I364-A386 HydrophobicContact CG2-CB 3.52Å; E366-A386 HydrophobicContact CB-CB 4.04Å; E366-A386 VanDerWaalsContact OE2-O 3.08Å; E367-A386 WeakPolarHBondContact O-CA 3.48Å; V368-A386 HydrophobicContact CG2-CB 4.5Å; A386-C388 PolarHBondContact O-N 3.13Å; A386-R389 PolarHBondContact N-O 2.95Å; A386-R389 PolarHBondContact O-N 2.58Å; A386-R389 VanDerWaalsContact O-O 3.06Å
387	G	90.2	Very high	88.5	Confident	10 Å²	10	24.4 Å²	24.4	10%	0.103	13%	0.125	C	C	.	.	T	Hydrogen-bonded Turn	trans	47.9	-112.6	-174.9	0	0	0	0	0	113.5	E366 E367 L450 I451	E366-G387 VanDerWaalsContact OE2-CA 3.26Å; E366-G387 WeakPolarHBondContact OE2-CA 3.44Å; E366-G387 PolarHBondContact OE2-N 3.1Å; E367-G387 PolarHBondContact O-N 2.96Å; G387-L450 CarbonylContact O-C 3.56Å; G387-L450 WeakPolarHBondContact O-CA 3.4Å; G387-I451 PolarHBondContact O-N 2.64Å
388	C	91.4	Very high	88.3	Confident	40 Å²	40	24.1 Å²	24.1	27%	0.27	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-97.6	1.7	-179.9	-67.3	0	0	0	0	113.7	A386 H447	A386-C388 PolarHBondContact O-N 3.13Å; C388-H447 WeakPolarHBondContact O-CB 3.46Å; C388-H447 PolarHBondContact O-N 3.5Å
389	R	93.6	Very high	88.1	Confident	45 Å²	45	19.3 Å²	19.3	17%	0.17	12%	0.116	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110	139	-175.9	-47.3	-165.1	-51.7	170.3	2.8	111.5	A385 A386 I391 E436 V444 I445 T446	A385-R389 WeakPolarHBondContact CA-O 3.28Å; A386-R389 PolarHBondContact N-O 2.95Å; A386-R389 PolarHBondContact O-N 2.58Å; A386-R389 VanDerWaalsContact O-O 3.06Å; R389-I391 HydrophobicContact CB-CG1 4.19Å; R389-E436 IonicContact CZ-OE1 3.33Å; R389-E436 IonicContact NH1-OE1 3.4Å; R389-E436 PolarHBondContact NH1-OE1 2.79Å; R389-E436 IonicContact NH1-OE2 3.78Å; R389-E436 IonicContact NH2-OE1 3.39Å; R389-E436 PolarHBondContact NH2-OE1 3.07Å; R389-E436 VanDerWaalsContact NH2-OE1 3.15Å; R389-V444 HydrophobicContact CB-CG1 4.08Å; R389-V444 HydrophobicContact CG-CG1 4.41Å; R389-I445 CarbonylContact C-O 3.54Å; R389-I445 VanDerWaalsContact CA-O 3.28Å; R389-I445 WeakPolarHBondContact CA-O 3.37Å; R389-T446 HydrophobicContact CG-CG2 4.27Å
390	V	94.1	Very high	88.1	Confident	0 Å²	0	28.4 Å²	28.4	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	115.8	160.2	-176.3	0	0	0	0	107.6	A383 I384 V444 I445 I451 V454 L463 A465	A383-V390 HydrophobicContact CB-CG1 4.33Å; I384-V390 CarbonylContact O-C 3.51Å; I384-V390 WeakPolarHBondContact O-CA 3.38Å; V390-V444 WeakPolarHBondContact O-CA 3.41Å; V390-I445 HydrophobicContact CB-CB 4.21Å; V390-I445 HydrophobicContact CB-CD1 4.4Å; V390-I445 PolarHBondContact N-O 3.08Å; V390-I445 PolarHBondContact O-N 3.22Å; V390-I451 HydrophobicContact CG2-CD1 3.53Å; V390-V454 HydrophobicContact CG1-CG2 4.29Å; V390-V454 HydrophobicContact CG2-CG2 4.1Å; V390-L463 HydrophobicContact CG1-CD2 3.85Å; V390-A465 HydrophobicContact CG2-CB 4.36Å
391	I	94	Very high	88.3	Confident	0 Å²	0	32.2 Å²	32.2	0%	0	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	125.2	-177.4	-52.2	171.3	0	0	0	107.9	I364 A383 I384 R389 V393 F441 V444	I364-I391 HydrophobicContact CG2-CD1 3.5Å; I364-I391 VanDerWaalsContact CG2-CD1 3.5Å; A383-I391 WeakPolarHBondContact CA-O 3.23Å; I384-I391 PolarHBondContact N-O 3.04Å; I384-I391 PolarHBondContact O-N 2.88Å; R389-I391 HydrophobicContact CB-CG1 4.19Å; I391-V393 HydrophobicContact CB-CG2 4.36Å; I391-V393 HydrophobicContact CG2-CG2 3.6Å; I391-F441 HydrophobicContact CD1-CE2 4.11Å; I391-F441 HydrophobicContact CD1-CZ 4.3Å; I391-F441 HydrophobicContact CG2-CB 3.99Å; I391-F441 HydrophobicContact CG2-CD1 3.72Å; I391-F441 HydrophobicContact CG2-CD2 3.8Å; I391-F441 HydrophobicContact CG2-CE1 4.11Å; I391-F441 HydrophobicContact CG2-CE2 4.23Å; I391-F441 HydrophobicContact CG2-CG 3.56Å; I391-F441 HydrophobicContact CG2-CZ 4.38Å; I391-V444 HydrophobicContact CG1-CG1 4.45Å; I391-V444 HydrophobicContact CG2-CG2 4.34Å
392	F	92.9	Very high	88.1	Confident	0 Å²	0	34 Å²	34	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	121.6	169.8	-66.9	-66	0	0	0	109.7	M381 A382 A383 F410 W429 R442 L443 I445 W456 L463 I480	M381-F392 HydrophobicContact CE-CB 3.71Å; M381-F392 HydrophobicContact CE-CD1 3.12Å; M381-F392 HydrophobicContact CE-CD2 4.33Å; M381-F392 HydrophobicContact CE-CE1 3.67Å; M381-F392 HydrophobicContact CE-CG 3.46Å; M381-F392 VanDerWaalsContact CE-CG 3.46Å; M381-F392 HydrophobicContact CE-CZ 4.45Å; A382-F392 WeakPolarHBondContact O-CA 3.44Å; A383-F392 HydrophobicContact CB-CD1 3.93Å; A383-F392 HydrophobicContact CB-CE1 3.86Å; F392-F410 HydrophobicContact CB-CE1 4.23Å; F392-F410 HydrophobicContact CB-CZ 4.33Å; F392-W429 HydrophobicContact CE2-CH2 4.36Å; F392-W429 AromaticContact CE2-CZ3 3.93Å; F392-W429 HydrophobicContact CE2-CZ3 3.93Å; F392-R442 PolarHBondContact O-N 3.42Å; F392-L443 HydrophobicContact CB-CB 4.19Å; F392-L443 WeakPolarHBondContact CB-O 3.48Å; F392-L443 HydrophobicContact CD2-CB 3.73Å; F392-L443 HydrophobicContact CG-CB 4.43Å; F392-L443 PolarHBondContact N-O 2.71Å; F392-I445 HydrophobicContact CD2-CD1 4.47Å; F392-I445 HydrophobicContact CE2-CD1 3.44Å; F392-I445 VanDerWaalsContact CE2-CD1 3.44Å; F392-I445 HydrophobicContact CE2-CG1 4.01Å; F392-I445 HydrophobicContact CZ-CD1 3.92Å; F392-W456 HydrophobicContact CD1-CH2 4.26Å; F392-W456 HydrophobicContact CD1-CZ2 4.21Å; F392-W456 AromaticContact CE1-CH2 3.68Å; F392-W456 HydrophobicContact CE1-CH2 3.68Å; F392-W456 AromaticContact CE1-CZ2 3.8Å; F392-W456 HydrophobicContact CE1-CZ2 3.8Å; F392-L463 HydrophobicContact CE1-CD2 3.81Å; F392-L463 HydrophobicContact CZ-CD2 3.71Å; F392-I480 HydrophobicContact CE1-CD1 3.81Å; F392-I480 HydrophobicContact CE1-CG1 4.37Å; F392-I480 HydrophobicContact CE2-CG1 4.37Å; F392-I480 HydrophobicContact CZ-CD1 3.69Å; F392-I480 HydrophobicContact CZ-CG1 3.77Å
393	V	89.8	Confident	87.7	Confident	0 Å²	0	36 Å²	36	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.5	-172.9	-173.9	0	0	0	0	109.8	A382 I384 I391 L395 G440 F441	A382-V393 PolarHBondContact N-O 2.8Å; A382-V393 PolarHBondContact O-N 3.42Å; I384-V393 HydrophobicContact CD1-CB 4.1Å; I384-V393 HydrophobicContact CD1-CG2 3.52Å; I384-V393 HydrophobicContact CG1-CG2 4.36Å; I391-V393 HydrophobicContact CB-CG2 4.36Å; I391-V393 HydrophobicContact CG2-CG2 3.6Å; V393-L395 HydrophobicContact CB-CD2 4.45Å; V393-L395 HydrophobicContact CB-CG 4.48Å; V393-L395 HydrophobicContact CG1-CD2 3.51Å; V393-L395 HydrophobicContact CG1-CG 3.82Å; V393-G440 WeakPolarHBondContact CA-O 3.31Å; V393-G440 WeakPolarHBondContact CG1-O 3.28Å; V393-F441 HydrophobicContact CB-CD1 4.41Å; V393-F441 HydrophobicContact CG1-CD1 4.15Å; V393-F441 HydrophobicContact CG2-CD1 3.46Å; V393-F441 VanDerWaalsContact CG2-CD1 3.46Å; V393-F441 HydrophobicContact CG2-CE1 3.81Å; V393-F441 HydrophobicContact CG2-CG 4.41Å
394	N	88.6	Confident	87.3	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.204	C	C	.	.			trans	-92.9	104	160.1	-172.3	-7.9	0	0	0	108.5	R396 L403 T406 D407 G440 R442	N394-R396 PolarHBondContact O-N 3.14Å; N394-R396 VanDerWaalsContact O-N 3.08Å; N394-R396 PolarHBondContact OD1-N 2.59Å; N394-R396 VanDerWaalsContact OD1-N 3.13Å; N394-L403 WeakPolarHBondContact ND2-CD1 3.49Å; N394-T406 PolarHBondContact ND2-OG1 3.25Å; N394-D407 PolarHBondContact ND2-OD1 2.85Å; N394-G440 PolarHBondContact N-O 2.74Å; N394-R442 HydrophobicContact CB-CG 4.19Å
395	L	82.5	Confident	86.9	Confident	4 Å²	4	43.4 Å²	43.4	2%	0.021	23%	0.228	C	C	.	.			trans	-75	4.4	-175.9	-68.5	167.6	0	0	0	113.2	L340 L350 R360 V362 W373 A382 V393 I397	L340-L395 HydrophobicContact CD1-CD1 3.41Å; L340-L395 VanDerWaalsContact CD1-CD1 3.41Å; L340-L395 HydrophobicContact CD2-CD1 3.69Å; L340-L395 HydrophobicContact CG-CD1 4.22Å; L350-L395 HydrophobicContact CD1-CD1 4.32Å; R360-L395 PolarHBondContact NH1-O 3.32Å; V362-L395 HydrophobicContact CG2-CD2 3.85Å; W373-L395 HydrophobicContact CH2-CD1 3.6Å; W373-L395 HydrophobicContact CZ2-CD1 3.91Å; W373-L395 HydrophobicContact CZ3-CD1 4.4Å; A382-L395 HydrophobicContact CB-CD1 4.19Å; V393-L395 HydrophobicContact CB-CD2 4.45Å; V393-L395 HydrophobicContact CB-CG 4.48Å; V393-L395 HydrophobicContact CG1-CD2 3.51Å; V393-L395 HydrophobicContact CG1-CG 3.82Å; L395-I397 HydrophobicContact CB-CD1 3.51Å; L395-I397 HydrophobicContact CB-CG1 3.93Å; L395-I397 HydrophobicContact CD1-CD1 4.37Å
396	R	81.2	Confident	86.4	Confident	120 Å²	120	43.4 Å²	43.4	45%	0.453	23%	0.228	S	C	.	.			trans	59.2	49.2	177.5	-51	-170.9	178.6	176.7	0.8	112.8	N394 L403 E438	N394-R396 PolarHBondContact O-N 3.14Å; N394-R396 VanDerWaalsContact O-N 3.08Å; N394-R396 PolarHBondContact OD1-N 2.59Å; N394-R396 VanDerWaalsContact OD1-N 3.13Å; R396-L403 HydrophobicContact CB-CD1 3.98Å; R396-L403 HydrophobicContact CB-CD2 4.38Å; R396-L403 HydrophobicContact CG-CD1 3.89Å; R396-E438 PolarHBondContact NH2-O 3.16Å
397	I	77.8	Confident	86.1	Confident	14 Å²	14	44.7 Å²	44.7	7%	0.072	24%	0.235	C	C	.	.			trans	-118.5	144.9	-177.2	-47.3	153.6	0	0	0	109.1	Y338 L350 W373 L395	Y338-I397 HydrophobicContact CD1-CG2 4.12Å; Y338-I397 HydrophobicContact CD2-CG2 3.6Å; Y338-I397 HydrophobicContact CE1-CG2 3.71Å; Y338-I397 HydrophobicContact CE2-CG2 3.17Å; Y338-I397 HydrophobicContact CG-CG2 4.07Å; L350-I397 HydrophobicContact CD1-CD1 3.45Å; L350-I397 VanDerWaalsContact CD1-CD1 3.45Å; L350-I397 HydrophobicContact CD2-CD1 3.18Å; L350-I397 HydrophobicContact CD2-CG1 3.42Å; L350-I397 VanDerWaalsContact CD2-CG1 3.42Å; L350-I397 HydrophobicContact CG-CD1 3.91Å; W373-I397 HydrophobicContact CH2-CD1 3.65Å; W373-I397 HydrophobicContact CZ2-CD1 4.39Å; L395-I397 HydrophobicContact CB-CD1 3.51Å; L395-I397 HydrophobicContact CB-CG1 3.93Å; L395-I397 HydrophobicContact CD1-CD1 4.37Å
398	G	75.4	Confident	86	Confident	56 Å²	56	48.7 Å²	48.7	58%	0.577	25%	0.254	S	S	*	.	S	Bend	trans	100.7	-163.7	178.3	0	0	0	0	0	112.3
399	S	77.9	Confident	85.8	Confident	64 Å²	64	49.1 Å²	49.1	45%	0.448	25%	0.25	S	S	.	.			trans	-63.4	152	178	72.2	0	0	0	0	111.6	N401 T402 L403	S399-N401 PolarHBondContact O-N 2.9Å; S399-T402 PolarHBondContact N-OG1 3.45Å; S399-T402 PolarHBondContact O-N 3.13Å; S399-T402 VanDerWaalsContact O-N 3.12Å; S399-T402 PolarHBondContact O-OG1 2.82Å; S399-T402 WeakPolarHBondContact OG-CG2 3.29Å; S399-T402 PolarHBondContact OG-N 3.5Å; S399-T402 VanDerWaalsContact OG-N 3.09Å; S399-T402 PolarHBondContact OG-OG1 3.45Å; S399-L403 PolarHBondContact O-N 2.83Å; S399-L403 VanDerWaalsContact O-N 3.12Å
400	R	82.3	Confident	85.4	Confident	215 Å²	215	47.3 Å²	47.3	81%	0.811	24%	0.243	S	C	*	.	H	α-helix	trans	-54.3	-36.2	173.9	-175.5	176.3	176.8	178	-1.3	111.9	L403 S404	R400-L403 WeakPolarHBondContact O-CB 3.38Å; R400-L403 PolarHBondContact O-N 3.13Å; R400-S404 PolarHBondContact O-N 3.45Å; R400-S404 PolarHBondContact O-OG 2.88Å
401	N	84.9	Confident	85	Confident	106 Å²	106	49.7 Å²	49.7	57%	0.567	26%	0.255	S	S	*	.	H	α-helix	trans	-66.9	-45.3	178.7	-62.4	4.5	0	0	0	111.6	S399 L403 S404 H405	S399-N401 PolarHBondContact O-N 2.9Å; N401-L403 PolarHBondContact O-N 2.98Å; N401-S404 PolarHBondContact O-N 3.24Å; N401-S404 PolarHBondContact O-OG 3.47Å; N401-H405 WeakPolarHBondContact O-CB 3.34Å; N401-H405 PolarHBondContact O-CD2 3.06Å; N401-H405 VanDerWaalsContact O-CG 3.22Å; N401-H405 PolarHBondContact O-N 2.69Å
402	T	82.7	Confident	84.8	Confident	40 Å²	40	52.1 Å²	52.1	25%	0.245	27%	0.272	C	S	.	.	H	α-helix	trans	-61.9	-36.7	177.2	40.9	0	0	0	0	111.8	S399 T406	S399-T402 PolarHBondContact N-OG1 3.45Å; S399-T402 PolarHBondContact O-N 3.13Å; S399-T402 VanDerWaalsContact O-N 3.12Å; S399-T402 PolarHBondContact O-OG1 2.82Å; S399-T402 WeakPolarHBondContact OG-CG2 3.29Å; S399-T402 PolarHBondContact OG-N 3.5Å; S399-T402 VanDerWaalsContact OG-N 3.09Å; S399-T402 PolarHBondContact OG-OG1 3.45Å; T402-T406 WeakPolarHBondContact O-CG2 3.22Å; T402-T406 PolarHBondContact O-N 2.78Å; T402-T406 VanDerWaalsContact O-N 3.07Å; T402-T406 PolarHBondContact O-OG1 3.26Å
403	L	84.2	Confident	84.5	Confident	43 Å²	43	52.5 Å²	52.5	23%	0.225	27%	0.274	C	S	.	.	H	α-helix	trans	-66.6	-48.6	176.6	173.5	64.2	0	0	0	112.1	N394 R396 S399 R400 N401 T406 D407	N394-L403 WeakPolarHBondContact ND2-CD1 3.49Å; R396-L403 HydrophobicContact CB-CD1 3.98Å; R396-L403 HydrophobicContact CB-CD2 4.38Å; R396-L403 HydrophobicContact CG-CD1 3.89Å; S399-L403 PolarHBondContact O-N 2.83Å; S399-L403 VanDerWaalsContact O-N 3.12Å; R400-L403 WeakPolarHBondContact O-CB 3.38Å; R400-L403 PolarHBondContact O-N 3.13Å; N401-L403 PolarHBondContact O-N 2.98Å; L403-T406 VanDerWaalsContact C-OG1 3.29Å; L403-T406 WeakPolarHBondContact CA-OG1 3.36Å; L403-T406 PolarHBondContact O-N 2.9Å; L403-T406 PolarHBondContact O-OG1 3.19Å; L403-D407 PolarHBondContact O-N 2.95Å; L403-D407 VanDerWaalsContact O-N 3.11Å
404	S	85.6	Confident	84.3	Confident	46 Å²	46	54.1 Å²	54.1	32%	0.322	28%	0.28	S	S	.	.	H	α-helix	trans	-62.7	-47	177.6	60.5	0	0	0	0	110.6	R400 N401 T406 D407 D408	R400-S404 PolarHBondContact O-N 3.45Å; R400-S404 PolarHBondContact O-OG 2.88Å; N401-S404 PolarHBondContact O-N 3.24Å; N401-S404 PolarHBondContact O-OG 3.47Å; S404-T406 VanDerWaalsContact C-N 3.26Å; S404-T406 PolarHBondContact O-N 3.14Å; S404-D407 PolarHBondContact O-N 2.91Å; S404-D408 WeakPolarHBondContact O-CB 3.43Å; S404-D408 PolarHBondContact O-N 2.78Å
405	H	86.6	Confident	84.1	Confident	108 Å²	108	61 Å²	61	50%	0.5	31%	0.312	S	S	.	.	H	α-helix	trans	-59	-34.8	177.9	-71.7	-48.5	0	0	0	113.5	L379 N401 Y409	L379-H405 HydrophobicContact CD2-CB 4.32Å; N401-H405 WeakPolarHBondContact O-CB 3.34Å; N401-H405 PolarHBondContact O-CD2 3.06Å; N401-H405 VanDerWaalsContact O-CG 3.22Å; N401-H405 PolarHBondContact O-N 2.69Å; H405-Y409 WeakPolarHBondContact O-CB 3.3Å; H405-Y409 PolarHBondContact O-N 3.26Å
406	T	86.4	Confident	84.2	Confident	1 Å²	1	66.2 Å²	66.2	1%	0.006	34%	0.344	C	S	.	.	H	α-helix	trans	-68.8	-40.5	173.5	40.9	0	0	0	0	113.1	L379 C380 N394 T402 L403 S404 Y409 F410	L379-T406 HydrophobicContact CB-CG2 3.8Å; L379-T406 HydrophobicContact CD2-CG2 3.57Å; L379-T406 HydrophobicContact CG-CG2 4.3Å; C380-T406 VanDerWaalsContact N-CG2 3.27Å; N394-T406 PolarHBondContact ND2-OG1 3.25Å; T402-T406 WeakPolarHBondContact O-CG2 3.22Å; T402-T406 PolarHBondContact O-N 2.78Å; T402-T406 VanDerWaalsContact O-N 3.07Å; T402-T406 PolarHBondContact O-OG1 3.26Å; L403-T406 VanDerWaalsContact C-OG1 3.29Å; L403-T406 WeakPolarHBondContact CA-OG1 3.36Å; L403-T406 PolarHBondContact O-N 2.9Å; L403-T406 PolarHBondContact O-OG1 3.19Å; S404-T406 VanDerWaalsContact C-N 3.26Å; S404-T406 PolarHBondContact O-N 3.14Å; T406-Y409 WeakPolarHBondContact O-CB 3.38Å; T406-Y409 PolarHBondContact O-N 2.82Å; T406-F410 WeakPolarHBondContact O-CD2 3.46Å; T406-F410 PolarHBondContact O-N 3.36Å
407	D	86.5	Confident	84.2	Confident	27 Å²	27	61.8 Å²	61.8	14%	0.144	33%	0.329	C	S	.	.	H	α-helix	trans	-70.2	-45.6	178.9	-73.1	-9.4	0	0	0	110.2	N394 L403 S404 Y409 F410 E411 R442	N394-D407 PolarHBondContact ND2-OD1 2.85Å; L403-D407 PolarHBondContact O-N 2.95Å; L403-D407 VanDerWaalsContact O-N 3.11Å; S404-D407 PolarHBondContact O-N 2.91Å; D407-Y409 PolarHBondContact O-N 2.77Å; D407-F410 PolarHBondContact O-N 3.41Å; D407-E411 PolarHBondContact O-N 2.93Å; D407-R442 IonicContact OD1-CZ 3.18Å; D407-R442 IonicContact OD1-NE 2.73Å; D407-R442 PolarHBondContact OD1-NE 2.95Å; D407-R442 IonicContact OD1-NH2 3.78Å; D407-R442 PolarHBondContact OD1-NH2 3.49Å; D407-R442 IonicContact OD2-CZ 2.9Å; D407-R442 IonicContact OD2-NE 3.81Å; D407-R442 IonicContact OD2-NH2 3.59Å; D407-R442 PolarHBondContact OD2-NH2 3.34Å
408	D	87.6	Confident	83.9	Confident	93 Å²	93	66.4 Å²	66.4	50%	0.497	35%	0.351	S	S	.	.	H	α-helix	trans	-56.6	-37.6	172.9	-57.6	-22.9	0	0	0	111.7	S404 S412	S404-D408 WeakPolarHBondContact O-CB 3.43Å; S404-D408 PolarHBondContact O-N 2.78Å; D408-S412 VanDerWaalsContact O-CB 3.3Å; D408-S412 WeakPolarHBondContact O-CB 3.45Å; D408-S412 PolarHBondContact O-N 2.76Å; D408-S412 PolarHBondContact O-OG 2.89Å
409	Y	87.3	Confident	83.4	Confident	50 Å²	50	70.4 Å²	70.4	20%	0.196	36%	0.359	C	S	.	.	H	α-helix	trans	-64.3	-40	175.8	178.3	-109.4	0	0	0	112.1	L379 H405 T406 D407 S412 I413	L379-Y409 HydrophobicContact CD1-CD1 3.91Å; L379-Y409 HydrophobicContact CD1-CD2 4.11Å; L379-Y409 HydrophobicContact CD1-CE1 4.15Å; L379-Y409 HydrophobicContact CD1-CE2 4.37Å; L379-Y409 HydrophobicContact CD1-CG 3.87Å; H405-Y409 WeakPolarHBondContact O-CB 3.3Å; H405-Y409 PolarHBondContact O-N 3.26Å; T406-Y409 WeakPolarHBondContact O-CB 3.38Å; T406-Y409 PolarHBondContact O-N 2.82Å; D407-Y409 PolarHBondContact O-N 2.77Å; Y409-S412 WeakPolarHBondContact CA-OG 3.41Å; Y409-S412 PolarHBondContact O-OG 2.82Å; Y409-I413 HydrophobicContact CD1-CD1 3.7Å; Y409-I413 HydrophobicContact CD2-CD1 4.04Å; Y409-I413 HydrophobicContact CD2-CG1 4.42Å; Y409-I413 HydrophobicContact CE1-CD1 3.28Å; Y409-I413 HydrophobicContact CE2-CD1 3.63Å; Y409-I413 HydrophobicContact CE2-CG1 4.15Å; Y409-I413 HydrophobicContact CG-CD1 4.08Å; Y409-I413 WeakPolarHBondContact O-CD1 3.48Å; Y409-I413 WeakPolarHBondContact O-CG1 3.44Å; Y409-I413 PolarHBondContact O-N 3.3Å; Y409-I413 VanDerWaalsContact O-N 3.17Å
410	F	86.3	Confident	82.8	Confident	6 Å²	6	68.9 Å²	68.9	3%	0.026	35%	0.35	C	S	.	.	H	α-helix	trans	-71.6	-41.6	176.9	-71.2	-66.5	0	0	0	112.8	M381 F392 T406 D407 I413 W414 R442 L443	M381-F410 HydrophobicContact CE-CE1 3.27Å; M381-F410 HydrophobicContact CE-CZ 3.28Å; M381-F410 HydrophobicContact CG-CZ 3.83Å; M381-F410 HydrophobicContact SD-CE1 3.9Å; M381-F410 HydrophobicContact SD-CE2 4.4Å; M381-F410 HydrophobicContact SD-CZ 3.41Å; M381-F410 WeakPolarHBondContact SD-CZ 3.39Å; F392-F410 HydrophobicContact CB-CE1 4.23Å; F392-F410 HydrophobicContact CB-CZ 4.33Å; T406-F410 WeakPolarHBondContact O-CD2 3.46Å; T406-F410 PolarHBondContact O-N 3.36Å; D407-F410 PolarHBondContact O-N 3.41Å; F410-I413 PolarHBondContact O-N 3.37Å; F410-W414 WeakPolarHBondContact O-CB 3.49Å; F410-W414 PolarHBondContact O-N 3.05Å; F410-R442 HydrophobicContact CB-CB 4.21Å; F410-R442 HydrophobicContact CD1-CB 4.02Å; F410-R442 HydrophobicContact CD2-CB 3.62Å; F410-R442 HydrophobicContact CD2-CG 3.53Å; F410-R442 HydrophobicContact CE1-CB 4.24Å; F410-R442 HydrophobicContact CE2-CB 3.89Å; F410-R442 HydrophobicContact CE2-CG 3.73Å; F410-R442 HydrophobicContact CG-CB 3.69Å; F410-R442 HydrophobicContact CG-CG 4.12Å; F410-R442 HydrophobicContact CZ-CB 4.16Å; F410-R442 HydrophobicContact CZ-CG 4.41Å; F410-L443 HydrophobicContact CD1-CD1 3.58Å; F410-L443 HydrophobicContact CD1-CG 3.81Å; F410-L443 HydrophobicContact CE1-CD1 4Å; F410-L443 HydrophobicContact CE1-CG 4.3Å
411	E	85.8	Confident	81.8	Confident	51 Å²	51	61 Å²	61	24%	0.238	33%	0.326	C	S	.	.	H	α-helix	trans	-62.3	-48.2	177.7	-67.4	-59	154.5	0	0	110.8	D407 I413 W414 E415 K431	D407-E411 PolarHBondContact O-N 2.93Å; E411-I413 PolarHBondContact O-N 2.96Å; E411-W414 PolarHBondContact O-N 2.87Å; E411-W414 VanDerWaalsContact O-N 3.09Å; E411-E415 WeakPolarHBondContact O-CG 3.43Å; E411-E415 PolarHBondContact O-N 2.94Å; E411-K431 WeakPolarHBondContact OE1-CE 3.47Å; E411-K431 IonicContact OE1-NZ 3.33Å; E411-K431 PolarHBondContact OE1-NZ 3.02Å; E411-K431 IonicContact OE2-NZ 2.65Å; E411-K431 PolarHBondContact OE2-NZ 3.34Å
412	S	87.9	Confident	80.6	Confident	51 Å²	51	58.8 Å²	58.8	36%	0.357	33%	0.327	S	S	.	.	H	α-helix	trans	-61.3	-38.8	177.3	56.4	0	0	0	0	113.6	D408 Y409 W414 T416	D408-S412 VanDerWaalsContact O-CB 3.3Å; D408-S412 WeakPolarHBondContact O-CB 3.45Å; D408-S412 PolarHBondContact O-N 2.76Å; D408-S412 PolarHBondContact O-OG 2.89Å; Y409-S412 WeakPolarHBondContact CA-OG 3.41Å; Y409-S412 PolarHBondContact O-OG 2.82Å; S412-W414 VanDerWaalsContact C-N 3.35Å; S412-T416 VanDerWaalsContact O-CB 3.31Å; S412-T416 WeakPolarHBondContact O-CB 3.46Å; S412-T416 PolarHBondContact O-N 3.23Å; S412-T416 VanDerWaalsContact O-N 3.08Å; S412-T416 PolarHBondContact O-OG1 3.03Å
413	I	87	Confident	79.5	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.041	35%	0.35	C	S	.	.	H	α-helix	trans	-65.8	-40.9	175.2	-65.2	164.5	0	0	0	110.7	Y409 F410 E411 T416 N417 I480 M483	Y409-I413 HydrophobicContact CD1-CD1 3.7Å; Y409-I413 HydrophobicContact CD2-CD1 4.04Å; Y409-I413 HydrophobicContact CD2-CG1 4.42Å; Y409-I413 HydrophobicContact CE1-CD1 3.28Å; Y409-I413 HydrophobicContact CE2-CD1 3.63Å; Y409-I413 HydrophobicContact CE2-CG1 4.15Å; Y409-I413 HydrophobicContact CG-CD1 4.08Å; Y409-I413 WeakPolarHBondContact O-CD1 3.48Å; Y409-I413 WeakPolarHBondContact O-CG1 3.44Å; Y409-I413 PolarHBondContact O-N 3.3Å; Y409-I413 VanDerWaalsContact O-N 3.17Å; F410-I413 PolarHBondContact O-N 3.37Å; E411-I413 PolarHBondContact O-N 2.96Å; I413-T416 PolarHBondContact O-N 3.13Å; I413-N417 WeakPolarHBondContact O-CB 3.32Å; I413-N417 PolarHBondContact O-N 2.6Å; I413-N417 VanDerWaalsContact O-N 3.14Å; I413-N417 PolarHBondContact O-ND2 3.22Å; I413-I480 HydrophobicContact CD1-CG2 4.16Å; I413-I480 WeakPolarHBondContact CG2-O 3.42Å; I413-M483 HydrophobicContact CB-CE 4.14Å; I413-M483 HydrophobicContact CG2-CE 3.52Å; I413-M483 HydrophobicContact CG2-CG 3.7Å; I413-M483 HydrophobicContact CG2-SD 3.97Å
414	W	85.3	Confident	78.5	Confident	33 Å²	33	64.1 Å²	64.1	13%	0.125	35%	0.35	C	S	.	.	H	α-helix	trans	-64	-52.1	179.5	-173.4	-90.6	0	0	0	111.1	F410 E411 S412 T416 N417 E418 T421 K431 L443 M483	F410-W414 WeakPolarHBondContact O-CB 3.49Å; F410-W414 PolarHBondContact O-N 3.05Å; E411-W414 PolarHBondContact O-N 2.87Å; E411-W414 VanDerWaalsContact O-N 3.09Å; S412-W414 VanDerWaalsContact C-N 3.35Å; W414-T416 VanDerWaalsContact C-N 3.25Å; W414-T416 PolarHBondContact O-N 2.78Å; W414-N417 CarbonylContact O-C 3.58Å; W414-N417 PolarHBondContact O-N 3.08Å; W414-N417 VanDerWaalsContact O-N 3.11Å; W414-E418 PolarHBondContact O-N 2.89Å; W414-T421 HydrophobicContact CH2-CG2 3.81Å; W414-T421 HydrophobicContact CZ2-CG2 4.39Å; W414-T421 HydrophobicContact CZ3-CG2 3.95Å; W414-K431 HydrophobicContact CD2-CB 3.92Å; W414-K431 HydrophobicContact CD2-CD 3.98Å; W414-K431 HydrophobicContact CD2-CG 4.3Å; W414-K431 HydrophobicContact CE3-CB 3.84Å; W414-K431 HydrophobicContact CE3-CG 4.47Å; W414-K431 HydrophobicContact CG-CD 4.04Å; W414-K431 HydrophobicContact CH2-CB 3.67Å; W414-K431 HydrophobicContact CZ2-CB 3.72Å; W414-K431 HydrophobicContact CZ3-CB 3.73Å; W414-L443 HydrophobicContact CE3-CD2 3.75Å; W414-L443 HydrophobicContact CZ3-CD2 4.21Å; W414-M483 HydrophobicContact CB-CE 4.07Å; W414-M483 HydrophobicContact CD2-CE 4.41Å; W414-M483 HydrophobicContact CE3-CE 3.59Å; W414-M483 HydrophobicContact CE3-SD 3.92Å; W414-M483 HydrophobicContact CZ3-CE 4.4Å; W414-M483 HydrophobicContact CZ3-SD 4.41Å
415	E	85	Confident	77.9	Confident	146 Å²	146	68.8 Å²	68.8	68%	0.682	37%	0.371	S	S	*	.	H	α-helix	trans	-57	-38.8	177.6	-70.3	175.6	174.4	0	0	112.2	E411	E411-E415 WeakPolarHBondContact O-CG 3.43Å; E411-E415 PolarHBondContact O-N 2.94Å
416	T	85.1	Confident	77.5	Confident	112 Å²	112	64.6 Å²	64.6	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-72.8	-28.1	-179.3	-55.6	0	0	0	0	113	S412 I413 W414	S412-T416 VanDerWaalsContact O-CB 3.31Å; S412-T416 WeakPolarHBondContact O-CB 3.46Å; S412-T416 PolarHBondContact O-N 3.23Å; S412-T416 VanDerWaalsContact O-N 3.08Å; S412-T416 PolarHBondContact O-OG1 3.03Å; I413-T416 PolarHBondContact O-N 3.13Å; W414-T416 VanDerWaalsContact C-N 3.25Å; W414-T416 PolarHBondContact O-N 2.78Å
417	N	80.8	Confident	77.4	Confident	27 Å²	27	64.9 Å²	64.9	14%	0.144	36%	0.356	C	S	.	.	H	α-helix	trans	-125.6	17.9	-167.9	-60.3	-72.1	0	0	0	114	I413 W414 D419 A420 S481 M483	I413-N417 WeakPolarHBondContact O-CB 3.32Å; I413-N417 PolarHBondContact O-N 2.6Å; I413-N417 VanDerWaalsContact O-N 3.14Å; I413-N417 PolarHBondContact O-ND2 3.22Å; W414-N417 CarbonylContact O-C 3.58Å; W414-N417 PolarHBondContact O-N 3.08Å; W414-N417 VanDerWaalsContact O-N 3.11Å; N417-D419 PolarHBondContact O-N 3.37Å; N417-A420 HydrophobicContact CB-CB 4.21Å; N417-A420 WeakPolarHBondContact O-CA 3.01Å; N417-A420 VanDerWaalsContact O-CB 3.28Å; N417-A420 WeakPolarHBondContact O-CB 3.44Å; N417-A420 PolarHBondContact O-N 3.04Å; N417-S481 PolarHBondContact ND2-O 2.98Å; N417-M483 HydrophobicContact CB-CB 4.23Å; N417-M483 HydrophobicContact CB-CG 4.35Å; N417-M483 HydrophobicContact CB-SD 4.04Å
418	E	71.2	Confident	77.4	Confident	112 Å²	112	71.2 Å²	71.2	52%	0.523	38%	0.378	S	S	.	.	G	3₁₀ helix	trans	-53.6	-41	-179.7	-166.7	168.4	-164.5	0	0	111.4	W414 A420 T421	W414-E418 PolarHBondContact O-N 2.89Å; E418-A420 PolarHBondContact O-N 3.3Å; E418-T421 WeakPolarHBondContact O-CB 3.28Å; E418-T421 WeakPolarHBondContact O-CG2 3.37Å; E418-T421 PolarHBondContact O-N 3.01Å; E418-T421 VanDerWaalsContact O-N 3.12Å; E418-T421 PolarHBondContact O-OG1 3.2Å
419	D	64.3	Low	77.5	Confident	140 Å²	140	67.2 Å²	67.2	75%	0.749	36%	0.356	S	S	*	.	G	3₁₀ helix	trans	-67	-14	175.7	-67.4	-25.9	0	0	0	115.3	N417 K423	N417-D419 PolarHBondContact O-N 3.37Å; D419-K423 VanDerWaalsContact O-CE 3.29Å; D419-K423 WeakPolarHBondContact O-CE 3.21Å; D419-K423 PolarHBondContact O-NZ 3.36Å
420	A	65.3	Low	77.6	Confident	31 Å²	31	67.8 Å²	67.8	26%	0.256	36%	0.36	S	S	.	.	G	3₁₀ helix	trans	-87.3	-15.5	177	0	0	0	0	0	112	N417 E418 G422 K423	N417-A420 HydrophobicContact CB-CB 4.21Å; N417-A420 WeakPolarHBondContact O-CA 3.01Å; N417-A420 VanDerWaalsContact O-CB 3.28Å; N417-A420 WeakPolarHBondContact O-CB 3.44Å; N417-A420 PolarHBondContact O-N 3.04Å; E418-A420 PolarHBondContact O-N 3.3Å; A420-G422 PolarHBondContact O-N 2.77Å; A420-G422 VanDerWaalsContact O-N 3.12Å; A420-K423 PolarHBondContact O-N 3.08Å
421	T	61.5	Low	77.6	Confident	51 Å²	51	70.4 Å²	70.4	31%	0.313	37%	0.372	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.1	109.7	178.9	69	0	0	0	0	109.2	W414 E418	W414-T421 HydrophobicContact CH2-CG2 3.81Å; W414-T421 HydrophobicContact CZ2-CG2 4.39Å; W414-T421 HydrophobicContact CZ3-CG2 3.95Å; E418-T421 WeakPolarHBondContact O-CB 3.28Å; E418-T421 WeakPolarHBondContact O-CG2 3.37Å; E418-T421 PolarHBondContact O-N 3.01Å; E418-T421 VanDerWaalsContact O-N 3.12Å; E418-T421 PolarHBondContact O-OG1 3.2Å
422	G	61	Low	77.5	Confident	58 Å²	58	68.2 Å²	68.2	60%	0.598	36%	0.362	S	S	*	.	T	Hydrogen-bonded Turn	trans	111.5	-12	178.9	0	0	0	0	0	116.8	A420 S424	A420-G422 PolarHBondContact O-N 2.77Å; A420-G422 VanDerWaalsContact O-N 3.12Å; G422-S424 VanDerWaalsContact C-N 3.33Å; G422-S424 PolarHBondContact O-N 3.16Å
423	K	60	Low	77.2	Confident	164 Å²	164	72.9 Å²	72.9	71%	0.713	38%	0.378	S	S	*	.			trans	-77.8	-13	-179.6	-70.4	174.8	-179	149.6	0	114.5	D419 A420	D419-K423 VanDerWaalsContact O-CE 3.29Å; D419-K423 WeakPolarHBondContact O-CE 3.21Å; D419-K423 PolarHBondContact O-NZ 3.36Å; A420-K423 PolarHBondContact O-N 3.08Å
424	S	62.9	Low	77	Confident	32 Å²	32	75 Å²	75	22%	0.224	40%	0.402	C	S	.	.			trans	-98	114	179.1	-174.7	0	0	0	0	112	G422 C426 S485	G422-S424 VanDerWaalsContact C-N 3.33Å; G422-S424 PolarHBondContact O-N 3.16Å; S424-C426 PolarHBondContact O-N 3.04Å; S424-S485 PolarHBondContact OG-O 2.75Å
425	N	71.9	Confident	77	Confident	143 Å²	143	77.2 Å²	77.2	77%	0.765	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.9	-10.8	175.7	-75.7	-14.8	0	0	0	114.3
426	C	78.3	Confident	77	Confident	21 Å²	21	72.7 Å²	72.7	14%	0.142	40%	0.402	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.9	-38.7	-172	-63.5	0	0	0	0	113.5	S424 I476	S424-C426 PolarHBondContact O-N 3.04Å; C426-I476 HydrophobicContact CB-CD1 4.27Å
427	A	84	Confident	76.9	Confident	7 Å²	7	70.8 Å²	70.8	6%	0.058	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-158.6	144.7	-178	0	0	0	0	0	110.4	I445 T446	A427-I445 HydrophobicContact CB-CG2 3.65Å; A427-T446 WeakPolarHBondContact CA-O 3.47Å
428	R	87.6	Confident	77	Confident	160 Å²	160	76 Å²	76	60%	0.604	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.7	137.3	-179.4	175.1	-177	-176.3	175.8	2.4	109.8	E430 I445 T446	R428-E430 VanDerWaalsContact CD-OE1 3.29Å; R428-E430 WeakPolarHBondContact CD-OE1 3.26Å; R428-E430 HydrophobicContact CG-CG 4.21Å; R428-E430 IonicContact CZ-OE1 3.16Å; R428-E430 IonicContact NE-OE1 3.8Å; R428-E430 PolarHBondContact NE-OE1 3.41Å; R428-I445 CarbonylContact O-C 3.54Å; R428-I445 WeakPolarHBondContact O-CA 3.41Å; R428-T446 WeakPolarHBondContact CB-OG1 3.27Å; R428-T446 PolarHBondContact N-O 2.93Å; R428-T446 VanDerWaalsContact N-O 3.08Å; R428-T446 PolarHBondContact O-N 3.33Å; R428-T446 PolarHBondContact O-OG1 2.86Å
429	W	89.9	Confident	77.6	Confident	8 Å²	8	74.3 Å²	74.3	3%	0.03	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	134	176.9	-66	75.6	0	0	0	108.9	F392 L443 I445 H478 I480 M483 S485	F392-W429 HydrophobicContact CE2-CH2 4.36Å; F392-W429 AromaticContact CE2-CZ3 3.93Å; F392-W429 HydrophobicContact CE2-CZ3 3.93Å; W429-L443 HydrophobicContact CZ3-CD1 4.5Å; W429-I445 HydrophobicContact CD2-CD1 4.4Å; W429-I445 HydrophobicContact CD2-CG1 3.84Å; W429-I445 HydrophobicContact CE3-CD1 4.16Å; W429-I445 HydrophobicContact CE3-CG1 3.68Å; W429-I445 HydrophobicContact CH2-CD1 3.6Å; W429-I445 HydrophobicContact CH2-CG1 4.08Å; W429-I445 HydrophobicContact CZ2-CD1 3.85Å; W429-I445 HydrophobicContact CZ2-CG1 4.2Å; W429-I445 HydrophobicContact CZ3-CD1 3.76Å; W429-I445 HydrophobicContact CZ3-CG1 3.81Å; W429-H478 HydrophobicContact CH2-CB 4.04Å; W429-H478 HydrophobicContact CZ2-CB 3.85Å; W429-H478 AromaticContact CZ2-ND1 3.96Å; W429-I480 HydrophobicContact CH2-CG1 4.22Å; W429-M483 HydrophobicContact CD2-CB 4.04Å; W429-M483 HydrophobicContact CD2-CG 4.38Å; W429-M483 HydrophobicContact CE3-CB 4.16Å; W429-M483 HydrophobicContact CE3-CG 4.01Å; W429-M483 HydrophobicContact CG-CB 4.36Å; W429-M483 HydrophobicContact CZ3-CG 4.27Å; W429-M483 PolarHBondContact NE1-O 3.35Å; W429-M483 VanDerWaalsContact NE1-O 3.13Å; W429-S485 PolarHBondContact NE1-OG 3.49Å
430	E	88.1	Confident	78.5	Confident	63 Å²	63	67.6 Å²	67.6	29%	0.294	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	138.6	-177.8	-67.8	170.1	-171.7	0	0	108.9	R428 V444	R428-E430 VanDerWaalsContact CD-OE1 3.29Å; R428-E430 WeakPolarHBondContact CD-OE1 3.26Å; R428-E430 HydrophobicContact CG-CG 4.21Å; R428-E430 IonicContact CZ-OE1 3.16Å; R428-E430 IonicContact NE-OE1 3.8Å; R428-E430 PolarHBondContact NE-OE1 3.41Å; E430-V444 HydrophobicContact CB-CB 4.45Å; E430-V444 PolarHBondContact N-O 2.9Å; E430-V444 PolarHBondContact O-N 2.78Å
431	K	86.6	Confident	79.6	Confident	61 Å²	61	66.2 Å²	66.2	27%	0.265	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	132.3	168.8	-171.1	175.6	-174.9	172.9	0	108	E411 W414	E411-K431 WeakPolarHBondContact OE1-CE 3.47Å; E411-K431 IonicContact OE1-NZ 3.33Å; E411-K431 PolarHBondContact OE1-NZ 3.02Å; E411-K431 IonicContact OE2-NZ 2.65Å; E411-K431 PolarHBondContact OE2-NZ 3.34Å; W414-K431 HydrophobicContact CD2-CB 3.92Å; W414-K431 HydrophobicContact CD2-CD 3.98Å; W414-K431 HydrophobicContact CD2-CG 4.3Å; W414-K431 HydrophobicContact CE3-CB 3.84Å; W414-K431 HydrophobicContact CE3-CG 4.47Å; W414-K431 HydrophobicContact CG-CD 4.04Å; W414-K431 HydrophobicContact CH2-CB 3.67Å; W414-K431 HydrophobicContact CZ2-CB 3.72Å; W414-K431 HydrophobicContact CZ3-CB 3.73Å
432	S	84.2	Confident	80.9	Confident	4 Å²	4	64.1 Å²	64.1	3%	0.028	34%	0.335	C	S	.	.			trans	-81.3	126.6	175.8	57.9	0	0	0	0	110.1	F441 R442	S432-F441 PolarHBondContact OG-O 3.5Å; S432-R442 PolarHBondContact N-O 3.4Å; S432-R442 WeakPolarHBondContact OG-CA 3.25Å; S432-R442 PolarHBondContact OG-N 2.97Å; S432-R442 PolarHBondContact OG-O 3.09Å; S432-R442 VanDerWaalsContact OG-O 3.13Å
433	E	80.6	Confident	82.3	Confident	149 Å²	149	61.5 Å²	61.5	70%	0.696	31%	0.307	S	S	*	.			trans	-119.1	161.5	177.6	-64.7	-176.9	173.6	0	0	111.2
434	G	84.1	Confident	83.8	Confident	53 Å²	53	53.8 Å²	53.8	55%	0.546	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	-133.4	175.9	0	0	0	0	0	114.4	E436 Y437 E438	G434-E436 VanDerWaalsContact C-N 3.25Å; G434-E436 PolarHBondContact O-N 3.11Å; G434-Y437 WeakPolarHBondContact O-CB 3.46Å; G434-Y437 PolarHBondContact O-N 2.9Å; G434-E438 PolarHBondContact O-N 2.77Å
435	S	84.2	Confident	85.2	Confident	80 Å²	80	52.2 Å²	52.2	56%	0.559	26%	0.263	S	S	*	.	H	α-helix	trans	-62.8	-29	-173.6	63.6	0	0	0	0	113.6	E438 K439	S435-E438 PolarHBondContact O-N 2.69Å; S435-K439 WeakPolarHBondContact O-CG 3.17Å; S435-K439 PolarHBondContact O-N 2.58Å
436	E	84.7	Confident	86.1	Confident	51 Å²	51	47.1 Å²	47.1	24%	0.238	24%	0.237	C	C	.	.	H	α-helix	trans	-66.4	-39.4	174.6	-74.5	-161.8	153	0	0	111.5	R389 G434 E438 K439 G440 F441	R389-E436 IonicContact CZ-OE1 3.33Å; R389-E436 IonicContact NH1-OE1 3.4Å; R389-E436 PolarHBondContact NH1-OE1 2.79Å; R389-E436 IonicContact NH1-OE2 3.78Å; R389-E436 IonicContact NH2-OE1 3.39Å; R389-E436 PolarHBondContact NH2-OE1 3.07Å; R389-E436 VanDerWaalsContact NH2-OE1 3.15Å; G434-E436 VanDerWaalsContact C-N 3.25Å; G434-E436 PolarHBondContact O-N 3.11Å; E436-E438 VanDerWaalsContact C-N 3.34Å; E436-E438 PolarHBondContact O-N 3.4Å; E436-K439 WeakPolarHBondContact O-CB 3.14Å; E436-K439 PolarHBondContact O-N 3.18Å; E436-G440 PolarHBondContact O-N 3.04Å; E436-F441 HydrophobicContact CB-CB 4.27Å; E436-F441 HydrophobicContact CB-CD2 3.63Å; E436-F441 HydrophobicContact CB-CE2 4.35Å; E436-F441 HydrophobicContact CB-CG 4.28Å; E436-F441 HydrophobicContact CG-CD2 3.8Å; E436-F441 HydrophobicContact CG-CE2 4.11Å; E436-F441 VanDerWaalsContact O-CB 3.26Å; E436-F441 WeakPolarHBondContact O-CB 3.49Å; E436-F441 WeakPolarHBondContact O-CG 3.23Å; E436-F441 PolarHBondContact O-N 3.25Å
437	Y	84.9	Confident	86.7	Confident	71 Å²	71	46.9 Å²	46.9	28%	0.278	23%	0.234	S	C	.	.	H	α-helix	trans	-67	-35.8	178	-169.7	-94.4	0	0	0	112.2	G434 G440 F441 R442	G434-Y437 WeakPolarHBondContact O-CB 3.46Å; G434-Y437 PolarHBondContact O-N 2.9Å; Y437-G440 WeakPolarHBondContact O-CA 3.27Å; Y437-G440 PolarHBondContact O-N 3.23Å; Y437-F441 WeakPolarHBondContact CD2-O 3.49Å; Y437-R442 VanDerWaalsContact CE2-NH1 3.34Å; Y437-R442 PolarHBondContact O-NH1 2.84Å
438	E	81.9	Confident	86.8	Confident	137 Å²	137	53.8 Å²	53.8	64%	0.64	26%	0.263	S	S	*	.	H	α-helix	trans	-66.1	-39.5	174.9	-68	-177	174.2	0	0	112.2	R360 R396 G434 S435 E436 G440	R360-E438 PolarHBondContact NH2-O 3.43Å; R396-E438 PolarHBondContact NH2-O 3.16Å; G434-E438 PolarHBondContact O-N 2.77Å; S435-E438 PolarHBondContact O-N 2.69Å; E436-E438 VanDerWaalsContact C-N 3.34Å; E436-E438 PolarHBondContact O-N 3.4Å; E438-G440 PolarHBondContact O-N 2.93Å; E438-G440 VanDerWaalsContact O-N 3.11Å
439	K	82.9	Confident	86.9	Confident	76 Å²	76	50.8 Å²	50.8	33%	0.33	25%	0.254	S	S	.	.	H	α-helix	trans	-61.7	-16.2	171.5	-70.8	175.5	178.8	-172.7	0	112.8	R360 V362 E363 S435 E436 F441	R360-K439 PolarHBondContact NH2-O 3.28Å; V362-K439 HydrophobicContact CG1-CB 4.28Å; E363-K439 PolarHBondContact O-NZ 2.76Å; S435-K439 WeakPolarHBondContact O-CG 3.17Å; S435-K439 PolarHBondContact O-N 2.58Å; E436-K439 WeakPolarHBondContact O-CB 3.14Å; E436-K439 PolarHBondContact O-N 3.18Å; K439-F441 HydrophobicContact CB-CD1 4.41Å; K439-F441 HydrophobicContact CB-CE1 4.3Å
440	G	84.5	Confident	87	Confident	0 Å²	0	55.3 Å²	55.3	0%	0	28%	0.278	C	S	.	.	T	Hydrogen-bonded Turn	trans	104.3	8.5	177.8	0	0	0	0	0	113.4	V393 N394 E436 Y437 E438	V393-G440 WeakPolarHBondContact CA-O 3.31Å; V393-G440 WeakPolarHBondContact CG1-O 3.28Å; N394-G440 PolarHBondContact N-O 2.74Å; E436-G440 PolarHBondContact O-N 3.04Å; Y437-G440 WeakPolarHBondContact O-CA 3.27Å; Y437-G440 PolarHBondContact O-N 3.23Å; E438-G440 PolarHBondContact O-N 2.93Å; E438-G440 VanDerWaalsContact O-N 3.11Å
441	F	89	Confident	87.3	Confident	1 Å²	1	52.4 Å²	52.4	0%	0.004	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	147.2	173.9	-56.7	-6.1	0	0	0	108.5	V362 I364 I391 V393 S432 E436 Y437 K439	V362-F441 HydrophobicContact CG1-CE1 3.66Å; V362-F441 HydrophobicContact CG1-CZ 4.18Å; I364-F441 HydrophobicContact CB-CZ 4.49Å; I364-F441 HydrophobicContact CG1-CE1 4.4Å; I364-F441 HydrophobicContact CG1-CZ 3.88Å; I391-F441 HydrophobicContact CD1-CE2 4.11Å; I391-F441 HydrophobicContact CD1-CZ 4.3Å; I391-F441 HydrophobicContact CG2-CB 3.99Å; I391-F441 HydrophobicContact CG2-CD1 3.72Å; I391-F441 HydrophobicContact CG2-CD2 3.8Å; I391-F441 HydrophobicContact CG2-CE1 4.11Å; I391-F441 HydrophobicContact CG2-CE2 4.23Å; I391-F441 HydrophobicContact CG2-CG 3.56Å; I391-F441 HydrophobicContact CG2-CZ 4.38Å; V393-F441 HydrophobicContact CB-CD1 4.41Å; V393-F441 HydrophobicContact CG1-CD1 4.15Å; V393-F441 HydrophobicContact CG2-CD1 3.46Å; V393-F441 VanDerWaalsContact CG2-CD1 3.46Å; V393-F441 HydrophobicContact CG2-CE1 3.81Å; V393-F441 HydrophobicContact CG2-CG 4.41Å; S432-F441 PolarHBondContact OG-O 3.5Å; E436-F441 HydrophobicContact CB-CB 4.27Å; E436-F441 HydrophobicContact CB-CD2 3.63Å; E436-F441 HydrophobicContact CB-CE2 4.35Å; E436-F441 HydrophobicContact CB-CG 4.28Å; E436-F441 HydrophobicContact CG-CD2 3.8Å; E436-F441 HydrophobicContact CG-CE2 4.11Å; E436-F441 VanDerWaalsContact O-CB 3.26Å; E436-F441 WeakPolarHBondContact O-CB 3.49Å; E436-F441 WeakPolarHBondContact O-CG 3.23Å; E436-F441 PolarHBondContact O-N 3.25Å; Y437-F441 WeakPolarHBondContact CD2-O 3.49Å; K439-F441 HydrophobicContact CB-CD1 4.41Å; K439-F441 HydrophobicContact CB-CE1 4.3Å
442	R	88.4	Confident	87.6	Confident	8 Å²	8	51.9 Å²	51.9	3%	0.03	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.9	-56.4	179.9	-60.4	-66.3	177.7	-116.6	18.6	110.7	F392 N394 D407 F410 S432 Y437	F392-R442 PolarHBondContact O-N 3.42Å; N394-R442 HydrophobicContact CB-CG 4.19Å; D407-R442 IonicContact OD1-CZ 3.18Å; D407-R442 IonicContact OD1-NE 2.73Å; D407-R442 PolarHBondContact OD1-NE 2.95Å; D407-R442 IonicContact OD1-NH2 3.78Å; D407-R442 PolarHBondContact OD1-NH2 3.49Å; D407-R442 IonicContact OD2-CZ 2.9Å; D407-R442 IonicContact OD2-NE 3.81Å; D407-R442 IonicContact OD2-NH2 3.59Å; D407-R442 PolarHBondContact OD2-NH2 3.34Å; F410-R442 HydrophobicContact CB-CB 4.21Å; F410-R442 HydrophobicContact CD1-CB 4.02Å; F410-R442 HydrophobicContact CD2-CB 3.62Å; F410-R442 HydrophobicContact CD2-CG 3.53Å; F410-R442 HydrophobicContact CE1-CB 4.24Å; F410-R442 HydrophobicContact CE2-CB 3.89Å; F410-R442 HydrophobicContact CE2-CG 3.73Å; F410-R442 HydrophobicContact CG-CB 3.69Å; F410-R442 HydrophobicContact CG-CG 4.12Å; F410-R442 HydrophobicContact CZ-CB 4.16Å; F410-R442 HydrophobicContact CZ-CG 4.41Å; S432-R442 PolarHBondContact N-O 3.4Å; S432-R442 WeakPolarHBondContact OG-CA 3.25Å; S432-R442 PolarHBondContact OG-N 2.97Å; S432-R442 PolarHBondContact OG-O 3.09Å; S432-R442 VanDerWaalsContact OG-O 3.13Å; Y437-R442 VanDerWaalsContact CE2-NH1 3.34Å; Y437-R442 PolarHBondContact O-NH1 2.84Å
443	L	89.6	Confident	88	Confident	2 Å²	2	52 Å²	52	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.6	139.6	179.4	-66.5	179.2	0	0	0	110	F392 F410 W414 W429 M483	F392-L443 HydrophobicContact CB-CB 4.19Å; F392-L443 WeakPolarHBondContact CB-O 3.48Å; F392-L443 HydrophobicContact CD2-CB 3.73Å; F392-L443 HydrophobicContact CG-CB 4.43Å; F392-L443 PolarHBondContact N-O 2.71Å; F410-L443 HydrophobicContact CD1-CD1 3.58Å; F410-L443 HydrophobicContact CD1-CG 3.81Å; F410-L443 HydrophobicContact CE1-CD1 4Å; F410-L443 HydrophobicContact CE1-CG 4.3Å; W414-L443 HydrophobicContact CE3-CD2 3.75Å; W414-L443 HydrophobicContact CZ3-CD2 4.21Å; W429-L443 HydrophobicContact CZ3-CD1 4.5Å; L443-M483 HydrophobicContact CD1-CE 3.47Å; L443-M483 VanDerWaalsContact CD1-CE 3.47Å; L443-M483 HydrophobicContact CD2-CE 3.53Å; L443-M483 HydrophobicContact CG-CE 4.15Å
444	V	91.7	Very high	88.7	Confident	2 Å²	2	45.1 Å²	45.1	1%	0.012	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	129.5	177.2	-177.2	0	0	0	0	108.4	R389 V390 I391 E430 T446	R389-V444 HydrophobicContact CB-CG1 4.08Å; R389-V444 HydrophobicContact CG-CG1 4.41Å; V390-V444 WeakPolarHBondContact O-CA 3.41Å; I391-V444 HydrophobicContact CG1-CG1 4.45Å; I391-V444 HydrophobicContact CG2-CG2 4.34Å; E430-V444 HydrophobicContact CB-CB 4.45Å; E430-V444 PolarHBondContact N-O 2.9Å; E430-V444 PolarHBondContact O-N 2.78Å; V444-T446 HydrophobicContact CG1-CG2 4.2Å
445	I	92.1	Very high	89.3	Confident	0 Å²	0	43.5 Å²	43.5	0%	0	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	119.9	171.4	-55.2	163.6	0	0	0	108.3	R389 V390 F392 A427 R428 W429 H478	R389-I445 CarbonylContact C-O 3.54Å; R389-I445 VanDerWaalsContact CA-O 3.28Å; R389-I445 WeakPolarHBondContact CA-O 3.37Å; V390-I445 HydrophobicContact CB-CB 4.21Å; V390-I445 HydrophobicContact CB-CD1 4.4Å; V390-I445 PolarHBondContact N-O 3.08Å; V390-I445 PolarHBondContact O-N 3.22Å; F392-I445 HydrophobicContact CD2-CD1 4.47Å; F392-I445 HydrophobicContact CE2-CD1 3.44Å; F392-I445 VanDerWaalsContact CE2-CD1 3.44Å; F392-I445 HydrophobicContact CE2-CG1 4.01Å; F392-I445 HydrophobicContact CZ-CD1 3.92Å; A427-I445 HydrophobicContact CB-CG2 3.65Å; R428-I445 CarbonylContact O-C 3.54Å; R428-I445 WeakPolarHBondContact O-CA 3.41Å; W429-I445 HydrophobicContact CD2-CD1 4.4Å; W429-I445 HydrophobicContact CD2-CG1 3.84Å; W429-I445 HydrophobicContact CE3-CD1 4.16Å; W429-I445 HydrophobicContact CE3-CG1 3.68Å; W429-I445 HydrophobicContact CH2-CD1 3.6Å; W429-I445 HydrophobicContact CH2-CG1 4.08Å; W429-I445 HydrophobicContact CZ2-CD1 3.85Å; W429-I445 HydrophobicContact CZ2-CG1 4.2Å; W429-I445 HydrophobicContact CZ3-CD1 3.76Å; W429-I445 HydrophobicContact CZ3-CG1 3.81Å; I445-H478 HydrophobicContact CD1-CB 4.2Å
446	T	91.8	Very high	89.8	Confident	35 Å²	35	40.8 Å²	40.8	22%	0.215	19%	0.188	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	125.3	177.7	55.9	0	0	0	0	110.9	R389 A427 R428 V444	R389-T446 HydrophobicContact CG-CG2 4.27Å; A427-T446 WeakPolarHBondContact CA-O 3.47Å; R428-T446 WeakPolarHBondContact CB-OG1 3.27Å; R428-T446 PolarHBondContact N-O 2.93Å; R428-T446 VanDerWaalsContact N-O 3.08Å; R428-T446 PolarHBondContact O-N 3.33Å; R428-T446 PolarHBondContact O-OG1 2.86Å; V444-T446 HydrophobicContact CG1-CG2 4.2Å
447	H	90.1	Very high	90.3	Very high	16 Å²	16	40.4 Å²	40.4	7%	0.074	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	161.7	176.8	-69.1	-108.7	0	0	0	111.1	C388 K449 I451 I476 H478	C388-H447 WeakPolarHBondContact O-CB 3.46Å; C388-H447 PolarHBondContact O-N 3.5Å; H447-K449 VanDerWaalsContact C-N 3.33Å; H447-K449 PolarHBondContact O-N 3.24Å; H447-I451 HydrophobicContact CB-CD1 4.32Å; H447-I451 HydrophobicContact CB-CG1 4.34Å; H447-I476 VanDerWaalsContact ND1-CD1 3.31Å; H447-I476 WeakPolarHBondContact ND1-CD1 3.48Å; H447-H478 AromaticContact CE1-CE1 3.34Å; H447-H478 PolarHBondContact CE1-CE1 2.87Å; H447-H478 AromaticContact CE1-NE2 3.21Å; H447-H478 PolarHBondContact CE1-NE2 2.99Å; H447-H478 AromaticContact NE2-CE1 3.35Å; H447-H478 PolarHBondContact NE2-CE1 3.21Å; H447-H478 AromaticContact NE2-NE2 3.25Å; H447-H478 PolarHBondContact NE2-NE2 3.5Å
448	K	86.9	Confident	90.5	Very high	152 Å²	152	40.1 Å²	40.1	66%	0.661	19%	0.194	S	C	*	.	S	Bend	trans	-74.2	-20.4	179	-61.4	-174.3	-177.9	-177.1	0	114.2
449	K	89.8	Confident	90.8	Very high	98 Å²	98	42.5 Å²	42.5	43%	0.426	20%	0.197	S	C	.	.	S	Bend	trans	-143.1	166.5	-174.2	-64.3	-67.9	-177.5	-178.4	0	110.2	H447 S470	H447-K449 VanDerWaalsContact C-N 3.33Å; H447-K449 PolarHBondContact O-N 3.24Å; K449-S470 VanDerWaalsContact CB-OG 3.27Å; K449-S470 WeakPolarHBondContact CB-OG 3.43Å; K449-S470 WeakPolarHBondContact CG-OG 3.38Å
450	L	91.8	Very high	91.2	Very high	102 Å²	102	39 Å²	39	53%	0.534	18%	0.182	S	C	.	.			trans	-59.7	133.7	-179.3	-60.1	171.6	0	0	0	112	G387 S467	G387-L450 CarbonylContact O-C 3.56Å; G387-L450 WeakPolarHBondContact O-CA 3.4Å; L450-S467 WeakPolarHBondContact O-CA 3.27Å; L450-S467 WeakPolarHBondContact O-CB 3.48Å
451	I	93.4	Very high	91.5	Very high	2 Å²	2	40 Å²	40	1%	0.01	19%	0.188	C	C	.	.			trans	-94.2	129.3	178.1	-58.6	146.7	0	0	0	108.3	Q369 A385 G387 V390 H447 V454 A465	Q369-I451 WeakPolarHBondContact CB-O 3.43Å; A385-I451 HydrophobicContact CB-CB 4.04Å; A385-I451 HydrophobicContact CB-CG2 3.62Å; G387-I451 PolarHBondContact O-N 2.64Å; V390-I451 HydrophobicContact CG2-CD1 3.53Å; H447-I451 HydrophobicContact CB-CD1 4.32Å; H447-I451 HydrophobicContact CB-CG1 4.34Å; I451-V454 HydrophobicContact CG2-CG2 4.1Å; I451-A465 HydrophobicContact CG2-CB 4.34Å
452	K	92.3	Very high	91.7	Very high	51 Å²	51	44.3 Å²	44.3	22%	0.222	21%	0.205	C	C	.	.			trans	-98.2	-33.7	179.1	-174.9	178.6	174.8	-178.6	0	112.6	V466 P468	K452-V466 PolarHBondContact N-O 3.23Å; K452-P468 HydrophobicContact CB-CG 4.18Å; K452-P468 HydrophobicContact CD-CG 4.07Å
453	Q	94.4	Very high	92	Very high	7 Å²	7	44 Å²	44	3%	0.033	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	143.4	-176	175.5	-178.5	29.1	0	0	110.9	T455 A465 V466 R498 V499	Q453-T455 PolarHBondContact NE2-OG1 3.01Å; Q453-A465 WeakPolarHBondContact O-CA 3.49Å; Q453-V466 HydrophobicContact CB-CB 4.21Å; Q453-V466 HydrophobicContact CB-CG2 4.3Å; Q453-V466 PolarHBondContact O-N 3.47Å; Q453-R498 VanDerWaalsContact CD-NH1 3.33Å; Q453-V499 PolarHBondContact NE2-O 3.26Å
454	V	95.2	Very high	92.3	Very high	4 Å²	4	43.9 Å²	43.9	2%	0.024	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	140.7	164.5	173.1	0	0	0	0	109.5	S370 A372 A383 A385 V390 I451 L463 A464	S370-V454 PolarHBondContact OG-N 3.08Å; S370-V454 VanDerWaalsContact OG-N 3.13Å; A372-V454 HydrophobicContact CB-CG1 4.41Å; A383-V454 HydrophobicContact CB-CG1 3.81Å; A385-V454 HydrophobicContact CB-CG2 3.52Å; V390-V454 HydrophobicContact CG1-CG2 4.29Å; V390-V454 HydrophobicContact CG2-CG2 4.1Å; I451-V454 HydrophobicContact CG2-CG2 4.1Å; V454-L463 HydrophobicContact CG1-CD1 3.26Å; V454-L463 HydrophobicContact CG1-CD2 3.67Å; V454-L463 HydrophobicContact CG1-CG 3.69Å; V454-A464 CarbonylContact C-O 3.58Å; V454-A464 WeakPolarHBondContact CA-O 3.49Å
455	T	95.3	Very high	92.5	Very high	19 Å²	19	43.9 Å²	43.9	12%	0.117	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	132.4	-179.9	-72.4	0	0	0	0	111.7	Q453 L463 A464 L500 F501	Q453-T455 PolarHBondContact NE2-OG1 3.01Å; T455-L463 CarbonylContact O-C 3.59Å; T455-L463 WeakPolarHBondContact O-CA 3.37Å; T455-L463 WeakPolarHBondContact O-CD1 3.47Å; T455-A464 PolarHBondContact N-O 3.2Å; T455-A464 PolarHBondContact O-N 3.16Å; T455-L500 HydrophobicContact CG2-CD2 3.95Å; T455-F501 HydrophobicContact CG2-CD2 4.19Å
456	W	95.5	Very high	92.6	Very high	22 Å²	22	44 Å²	44	8%	0.083	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	146.8	179.2	-70.3	98.8	0	0	0	112.7	A372 W373 R374 P375 M381 A383 F392 L463 I480	A372-W456 PolarHBondContact O-NE1 2.87Å; W373-W456 PolarHBondContact O-NE1 3.18Å; R374-W456 HydrophobicContact CB-CH2 4.34Å; R374-W456 HydrophobicContact CB-CZ2 4.19Å; R374-W456 HydrophobicContact CG-CE3 4.38Å; R374-W456 HydrophobicContact CG-CH2 4.37Å; R374-W456 HydrophobicContact CG-CZ3 4.21Å; P375-W456 HydrophobicContact CG-CB 4.04Å; M381-W456 HydrophobicContact CE-CH2 3.93Å; M381-W456 HydrophobicContact SD-CH2 4.12Å; A383-W456 HydrophobicContact CB-CZ2 3.67Å; F392-W456 HydrophobicContact CD1-CH2 4.26Å; F392-W456 HydrophobicContact CD1-CZ2 4.21Å; F392-W456 AromaticContact CE1-CH2 3.68Å; F392-W456 HydrophobicContact CE1-CH2 3.68Å; F392-W456 AromaticContact CE1-CZ2 3.8Å; F392-W456 HydrophobicContact CE1-CZ2 3.8Å; W456-L463 HydrophobicContact CB-CD1 4.47Å; W456-L463 HydrophobicContact CD2-CD1 3.39Å; W456-L463 VanDerWaalsContact CE2-CD1 3.47Å; W456-L463 HydrophobicContact CE3-CB 4.38Å; W456-L463 HydrophobicContact CE3-CD1 3.89Å; W456-L463 HydrophobicContact CG-CD1 3.67Å; W456-L463 HydrophobicContact CH2-CD1 4.49Å; W456-L463 HydrophobicContact CZ2-CD1 4.05Å; W456-L463 HydrophobicContact CZ3-CD1 4.43Å; W456-I480 HydrophobicContact CE3-CD1 4.27Å; W456-I480 HydrophobicContact CH2-CD1 3.3Å; W456-I480 HydrophobicContact CZ3-CD1 3.15Å
457	H	95	Very high	92.5	Very high	44 Å²	44	42.4 Å²	42.4	20%	0.204	19%	0.194	C	C	.	.			trans	-73.9	151.3	160.5	-179.1	-93.5	0	0	0	110.2	P375 R459 G460 Y462 F501	P375-H457 VanDerWaalsContact CG-O 3.26Å; P375-H457 WeakPolarHBondContact CG-O 3.34Å; H457-R459 PolarHBondContact ND1-N 2.64Å; H457-R459 VanDerWaalsContact ND1-N 3.2Å; H457-R459 PolarHBondContact O-N 3.1Å; H457-R459 VanDerWaalsContact O-N 3.11Å; H457-G460 WeakPolarHBondContact O-CA 3.45Å; H457-G460 PolarHBondContact O-N 3.49Å; H457-Y462 WeakPolarHBondContact CB-O 3.39Å; H457-Y462 PolarHBondContact N-O 3.16Å; H457-F501 HydrophobicContact CB-CD1 4.39Å; H457-F501 HydrophobicContact CB-CD2 3.97Å; H457-F501 HydrophobicContact CB-CE2 4.17Å; H457-F501 HydrophobicContact CB-CG 4.08Å; H457-F501 HydrophobicContact CB-CZ 4.47Å; H457-F501 AromaticContact CD2-CD1 3.79Å; H457-F501 AromaticContact CD2-CG 3.92Å
458	S	89.5	Confident	92.2	Very high	64 Å²	64	42.8 Å²	42.8	45%	0.448	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-33.7	-176	55.2	0	0	0	0	114.4	P375 G460 P503	P375-S458 WeakPolarHBondContact CG-O 3.32Å; S458-G460 VanDerWaalsContact C-N 3.3Å; S458-G460 PolarHBondContact O-N 2.92Å; S458-P503 PolarHBondContact OG-O 2.85Å
459	R	88.7	Confident	92	Very high	188 Å²	188	42.3 Å²	42.3	71%	0.709	20%	0.199	S	C	*	.	T	Hydrogen-bonded Turn	trans	-70.1	-22.2	173.8	-167.6	176.8	175.7	124.8	-1.8	114	H457	H457-R459 PolarHBondContact ND1-N 2.64Å; H457-R459 VanDerWaalsContact ND1-N 3.2Å; H457-R459 PolarHBondContact O-N 3.1Å; H457-R459 VanDerWaalsContact O-N 3.11Å
460	G	89.3	Confident	91.4	Very high	1 Å²	1	38.8 Å²	38.8	1%	0.01	19%	0.186	C	C	.	.	S	Bend	trans	73.2	30.1	-179.4	0	0	0	0	0	115.1	R374 H457 S458	R374-G460 VanDerWaalsContact CZ-O 3.23Å; R374-G460 PolarHBondContact NE-O 2.84Å; R374-G460 PolarHBondContact NH2-O 3.38Å; H457-G460 WeakPolarHBondContact O-CA 3.45Å; H457-G460 PolarHBondContact O-N 3.49Å; S458-G460 VanDerWaalsContact C-N 3.3Å; S458-G460 PolarHBondContact O-N 2.92Å
461	D	91.2	Very high	90.8	Very high	22 Å²	22	36.4 Å²	36.4	12%	0.118	19%	0.186	C	C	.	.	S	Bend	trans	-114.9	-29	175.1	-173.9	25.2	0	0	0	112	H479 I480 S481	D461-H479 IonicContact OD1-CD2 3.44Å; D461-H479 PolarHBondContact OD1-CD2 3.19Å; D461-H479 IonicContact OD1-NE2 3.54Å; D461-H479 IonicContact OD2-CD2 3.38Å; D461-H479 PolarHBondContact OD2-CD2 3.35Å; D461-H479 IonicContact OD2-NE2 2.81Å; D461-H479 PolarHBondContact OD2-NE2 2.99Å; D461-I480 PolarHBondContact O-N 3.27Å; D461-S481 VanDerWaalsContact CG-OG 3.31Å; D461-S481 VanDerWaalsContact OD1-CB 3.3Å; D461-S481 WeakPolarHBondContact OD1-CB 3.49Å; D461-S481 PolarHBondContact OD1-N 3.14Å; D461-S481 VanDerWaalsContact OD1-N 3.14Å; D461-S481 PolarHBondContact OD1-OG 3.07Å; D461-S481 PolarHBondContact OD2-OG 2.93Å; D461-S481 VanDerWaalsContact OD2-OG 3.09Å
462	Y	94.2	Very high	90.1	Very high	92 Å²	92	39.2 Å²	39.2	36%	0.361	21%	0.206	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	140.2	171.8	-63.1	-81	0	0	0	111	H457 V477 H478 H479	H457-Y462 WeakPolarHBondContact CB-O 3.39Å; H457-Y462 PolarHBondContact N-O 3.16Å; Y462-V477 HydrophobicContact CD1-CG1 4.05Å; Y462-H478 CarbonylContact C-O 3.52Å; Y462-H478 VanDerWaalsContact CA-O 3.28Å; Y462-H478 WeakPolarHBondContact CA-O 3.21Å; Y462-H479 HydrophobicContact CD1-CB 3.92Å; Y462-H479 AromaticContact CD1-CD2 3.89Å; Y462-H479 HydrophobicContact CE1-CB 3.69Å; Y462-H479 AromaticContact CE1-CD2 3.51Å; Y462-H479 AromaticContact CE1-CG 3.46Å; Y462-H479 VanDerWaalsContact CE1-CG 3.46Å; Y462-H479 AromaticContact CE1-ND1 3.99Å; Y462-H479 AromaticContact CZ-CD2 3.77Å; Y462-H479 AromaticContact CZ-NE2 3.84Å
463	L	94.9	Very high	89.7	Confident	0 Å²	0	38.2 Å²	38.2	0%	0	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	127.4	176.2	-174.4	78.6	0	0	0	109.3	A383 V390 F392 V454 T455 W456 V477 H478 I480	A383-L463 HydrophobicContact CB-CD1 4.23Å; A383-L463 HydrophobicContact CB-CD2 4.17Å; V390-L463 HydrophobicContact CG1-CD2 3.85Å; F392-L463 HydrophobicContact CE1-CD2 3.81Å; F392-L463 HydrophobicContact CZ-CD2 3.71Å; V454-L463 HydrophobicContact CG1-CD1 3.26Å; V454-L463 HydrophobicContact CG1-CD2 3.67Å; V454-L463 HydrophobicContact CG1-CG 3.69Å; T455-L463 CarbonylContact O-C 3.59Å; T455-L463 WeakPolarHBondContact O-CA 3.37Å; T455-L463 WeakPolarHBondContact O-CD1 3.47Å; W456-L463 HydrophobicContact CB-CD1 4.47Å; W456-L463 HydrophobicContact CD2-CD1 3.39Å; W456-L463 VanDerWaalsContact CE2-CD1 3.47Å; W456-L463 HydrophobicContact CE3-CB 4.38Å; W456-L463 HydrophobicContact CE3-CD1 3.89Å; W456-L463 HydrophobicContact CG-CD1 3.67Å; W456-L463 HydrophobicContact CH2-CD1 4.49Å; W456-L463 HydrophobicContact CZ2-CD1 4.05Å; W456-L463 HydrophobicContact CZ3-CD1 4.43Å; L463-V477 CarbonylContact O-C 3.47Å; L463-V477 WeakPolarHBondContact O-CA 3.24Å; L463-H478 HydrophobicContact CB-CB 4.32Å; L463-H478 PolarHBondContact N-O 2.88Å; L463-H478 PolarHBondContact O-CD2 2.84Å; L463-H478 PolarHBondContact O-N 3.04Å; L463-I480 HydrophobicContact CB-CD1 4.33Å
464	A	95.3	Very high	89.5	Confident	1 Å²	1	38.1 Å²	38.1	1%	0.008	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	134.7	171.4	0	0	0	0	0	110.5	V454 T455 I476 V477 V499 F501 F508	V454-A464 CarbonylContact C-O 3.58Å; V454-A464 WeakPolarHBondContact CA-O 3.49Å; T455-A464 PolarHBondContact N-O 3.2Å; T455-A464 PolarHBondContact O-N 3.16Å; A464-I476 CarbonylContact C-O 3.55Å; A464-I476 WeakPolarHBondContact CA-O 3.09Å; A464-V477 HydrophobicContact CB-CG2 4.39Å; A464-V499 HydrophobicContact CB-CG1 4.14Å; A464-F501 HydrophobicContact CB-CE2 3.61Å; A464-F501 HydrophobicContact CB-CZ 3.81Å; A464-F508 HydrophobicContact CB-CE2 4.09Å; A464-F508 HydrophobicContact CB-CZ 4.14Å
465	A	95.1	Very high	89.4	Confident	2 Å²	2	38 Å²	38	2%	0.017	20%	0.202	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	136.7	172.5	0	0	0	0	0	110.3	V390 I451 Q453 I476	V390-A465 HydrophobicContact CG2-CB 4.36Å; I451-A465 HydrophobicContact CG2-CB 4.34Å; Q453-A465 WeakPolarHBondContact O-CA 3.49Å; A465-I476 PolarHBondContact N-O 2.86Å; A465-I476 PolarHBondContact O-N 3.33Å
466	V	94.1	Very high	89.3	Confident	1 Å²	1	37.2 Å²	37.2	1%	0.006	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112	121.5	179.9	-175.4	0	0	0	0	110.3	K452 Q453 P468 T474 V496 V499	K452-V466 PolarHBondContact N-O 3.23Å; Q453-V466 HydrophobicContact CB-CB 4.21Å; Q453-V466 HydrophobicContact CB-CG2 4.3Å; Q453-V466 PolarHBondContact O-N 3.47Å; V466-P468 HydrophobicContact CG1-CG 4.41Å; V466-T474 CarbonylContact C-O 3.5Å; V466-T474 WeakPolarHBondContact CA-O 3.15Å; V466-V496 HydrophobicContact CG1-CB 4.39Å; V466-V496 HydrophobicContact CG1-CG1 3.92Å; V466-V499 HydrophobicContact CG2-CB 3.73Å; V466-V499 HydrophobicContact CG2-CG2 3.47Å; V466-V499 VanDerWaalsContact CG2-CG2 3.47Å
467	S	91	Very high	89.2	Confident	2 Å²	2	37.1 Å²	37.1	1%	0.014	20%	0.199	C	C	.	.			trans	-123.5	93.7	173.5	58	0	0	0	0	109.8	L450 Q469 S470 N473 T474	L450-S467 WeakPolarHBondContact O-CA 3.27Å; L450-S467 WeakPolarHBondContact O-CB 3.48Å; S467-Q469 PolarHBondContact O-N 3.46Å; S467-S470 VanDerWaalsContact CB-OG 3.27Å; S467-S470 WeakPolarHBondContact CB-OG 3.4Å; S467-S470 PolarHBondContact O-N 3.06Å; S467-S470 PolarHBondContact O-OG 3.03Å; S467-S470 VanDerWaalsContact OG-CB 3.3Å; S467-S470 WeakPolarHBondContact OG-CB 3.17Å; S467-S470 PolarHBondContact OG-OG 3.43Å; S467-N473 PolarHBondContact OG-O 2.95Å; S467-T474 PolarHBondContact N-O 3.46Å; S467-T474 VanDerWaalsContact O-CA 3.24Å; S467-T474 WeakPolarHBondContact O-CA 3.11Å; S467-T474 WeakPolarHBondContact O-CB 3.39Å; S467-T474 WeakPolarHBondContact O-CG2 3.28Å
468	P	84.1	Confident	89.2	Confident	25 Å²	25	35 Å²	35	16%	0.162	19%	0.189	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58.4	-23.7	-168.5	-27.2	34.6	0	0	0	115.6	K452 V466	K452-P468 HydrophobicContact CB-CG 4.18Å; K452-P468 HydrophobicContact CD-CG 4.07Å; V466-P468 HydrophobicContact CG1-CG 4.41Å
469	Q	82.5	Confident	89.3	Confident	142 Å²	142	32.7 Å²	32.7	66%	0.664	17%	0.171	S	C	*	.	T	Hydrogen-bonded Turn	trans	-94	0.3	-174.5	-63.1	176.9	-3.7	0	0	114.2	S467 G471	S467-Q469 PolarHBondContact O-N 3.46Å; Q469-G471 PolarHBondContact O-N 3.5Å
470	S	77.4	Confident	89.4	Confident	24 Å²	24	23.8 Å²	23.8	17%	0.168	14%	0.138	C	C	.	.	S	Bend	trans	-89.4	15.8	-168.9	-57.5	0	0	0	0	115.8	K449 S467 S472 N473	K449-S470 VanDerWaalsContact CB-OG 3.27Å; K449-S470 WeakPolarHBondContact CB-OG 3.43Å; K449-S470 WeakPolarHBondContact CG-OG 3.38Å; S467-S470 VanDerWaalsContact CB-OG 3.27Å; S467-S470 WeakPolarHBondContact CB-OG 3.4Å; S467-S470 PolarHBondContact O-N 3.06Å; S467-S470 PolarHBondContact O-OG 3.03Å; S467-S470 VanDerWaalsContact OG-CB 3.3Å; S467-S470 WeakPolarHBondContact OG-CB 3.17Å; S467-S470 PolarHBondContact OG-OG 3.43Å; S470-S472 PolarHBondContact O-N 3.22Å; S470-N473 WeakPolarHBondContact CB-O 3.27Å; S470-N473 PolarHBondContact O-N 3.4Å
471	G	78.7	Confident	89.3	Confident	52 Å²	52	25.6 Å²	25.6	54%	0.536	15%	0.15	S	C	.	.	G	3₁₀ helix	trans	59.8	-106.4	177.6	0	0	0	0	0	114.1	Q469 T474 N492	Q469-G471 PolarHBondContact O-N 3.5Å; G471-T474 WeakPolarHBondContact O-CG2 3.38Å; G471-N492 PolarHBondContact O-ND2 2.8Å
472	S	78.2	Confident	89.1	Confident	61 Å²	61	30.5 Å²	30.5	43%	0.427	17%	0.17	S	C	.	.	G	3₁₀ helix	trans	-72.2	-32.8	175.4	59	0	0	0	0	112.6	S470 T474 N492	S470-S472 PolarHBondContact O-N 3.22Å; S472-T474 VanDerWaalsContact C-N 3.25Å; S472-T474 PolarHBondContact O-N 2.86Å; S472-N492 PolarHBondContact O-ND2 3.17Å
473	N	83.7	Confident	88.8	Confident	30 Å²	30	26.2 Å²	26.2	16%	0.16	15%	0.154	C	C	.	.	G	3₁₀ helix	trans	-91.9	27.4	-173.8	-65.3	-2	0	0	0	112.1	S467 S470 V475 I476	S467-N473 PolarHBondContact OG-O 2.95Å; S470-N473 WeakPolarHBondContact CB-O 3.27Å; S470-N473 PolarHBondContact O-N 3.4Å; N473-V475 VanDerWaalsContact C-N 3.28Å; N473-V475 PolarHBondContact O-N 3.03Å; N473-I476 HydrophobicContact CB-CD1 4.28Å
474	T	90.7	Very high	88.5	Confident	5 Å²	5	33.2 Å²	33.2	3%	0.031	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-68.4	-29.7	-176.7	58.2	0	0	0	0	112.9	V466 S467 G471 S472 N492	V466-T474 CarbonylContact C-O 3.5Å; V466-T474 WeakPolarHBondContact CA-O 3.15Å; S467-T474 PolarHBondContact N-O 3.46Å; S467-T474 VanDerWaalsContact O-CA 3.24Å; S467-T474 WeakPolarHBondContact O-CA 3.11Å; S467-T474 WeakPolarHBondContact O-CB 3.39Å; S467-T474 WeakPolarHBondContact O-CG2 3.28Å; G471-T474 WeakPolarHBondContact O-CG2 3.38Å; S472-T474 VanDerWaalsContact C-N 3.25Å; S472-T474 PolarHBondContact O-N 2.86Å; T474-N492 VanDerWaalsContact OG1-CG 3.23Å; T474-N492 PolarHBondContact OG1-ND2 3.09Å
475	V	92.9	Very high	88.2	Confident	1 Å²	1	33.4 Å²	33.4	1%	0.006	18%	0.181	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	121.6	174.6	-176.2	0	0	0	0	107.2	N473 P488 F489 V496 V499 F508	N473-V475 VanDerWaalsContact C-N 3.28Å; N473-V475 PolarHBondContact O-N 3.03Å; V475-P488 HydrophobicContact CG1-CG 4.5Å; V475-P488 WeakPolarHBondContact O-CD 3.3Å; V475-F489 HydrophobicContact CB-CD2 4.28Å; V475-F489 HydrophobicContact CB-CE2 4.27Å; V475-F489 HydrophobicContact CG1-CE2 4.38Å; V475-F489 HydrophobicContact CG2-CE2 4.45Å; V475-V496 HydrophobicContact CG2-CB 4.33Å; V475-V496 HydrophobicContact CG2-CG1 3.86Å; V475-V496 HydrophobicContact CG2-CG2 4.18Å; V475-V499 HydrophobicContact CG1-CG1 4.48Å; V475-V499 HydrophobicContact CG1-CG2 4.17Å; V475-V499 HydrophobicContact CG2-CG2 3.88Å; V475-F508 HydrophobicContact CG1-CE1 3.88Å; V475-F508 HydrophobicContact CG1-CZ 3.79Å
476	I	93.1	Very high	88	Confident	3 Å²	3	37.4 Å²	37.4	2%	0.015	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	134.1	175.6	-64.4	163.9	0	0	0	107.2	C426 H447 A464 A465 N473 H478 Q486	C426-I476 HydrophobicContact CB-CD1 4.27Å; H447-I476 VanDerWaalsContact ND1-CD1 3.31Å; H447-I476 WeakPolarHBondContact ND1-CD1 3.48Å; A464-I476 CarbonylContact C-O 3.55Å; A464-I476 WeakPolarHBondContact CA-O 3.09Å; A465-I476 PolarHBondContact N-O 2.86Å; A465-I476 PolarHBondContact O-N 3.33Å; N473-I476 HydrophobicContact CB-CD1 4.28Å; I476-H478 WeakPolarHBondContact CG2-CE1 3.44Å; I476-Q486 WeakPolarHBondContact CA-O 3.35Å
477	V	94.2	Very high	87.8	Confident	19 Å²	19	39 Å²	39	12%	0.115	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.2	119	172.4	-179.1	0	0	0	0	107.8	Y462 L463 A464 Q486 P488 F501 F508	Y462-V477 HydrophobicContact CD1-CG1 4.05Å; L463-V477 CarbonylContact O-C 3.47Å; L463-V477 WeakPolarHBondContact O-CA 3.24Å; A464-V477 HydrophobicContact CB-CG2 4.39Å; V477-Q486 PolarHBondContact N-O 3.32Å; V477-Q486 PolarHBondContact O-N 3.43Å; V477-P488 HydrophobicContact CG2-CG 4.07Å; V477-F501 HydrophobicContact CG1-CZ 4.22Å; V477-F501 HydrophobicContact CG2-CZ 4.44Å; V477-F508 HydrophobicContact CG2-CZ 4.07Å
478	H	93.8	Very high	87.6	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	133.2	175.9	-53.9	-75.3	0	0	0	109.1	W429 I445 H447 Y462 L463 I476 R484 S485	W429-H478 HydrophobicContact CH2-CB 4.04Å; W429-H478 HydrophobicContact CZ2-CB 3.85Å; W429-H478 AromaticContact CZ2-ND1 3.96Å; I445-H478 HydrophobicContact CD1-CB 4.2Å; H447-H478 AromaticContact CE1-CE1 3.34Å; H447-H478 PolarHBondContact CE1-CE1 2.87Å; H447-H478 AromaticContact CE1-NE2 3.21Å; H447-H478 PolarHBondContact CE1-NE2 2.99Å; H447-H478 AromaticContact NE2-CE1 3.35Å; H447-H478 PolarHBondContact NE2-CE1 3.21Å; H447-H478 AromaticContact NE2-NE2 3.25Å; H447-H478 PolarHBondContact NE2-NE2 3.5Å; Y462-H478 CarbonylContact C-O 3.52Å; Y462-H478 VanDerWaalsContact CA-O 3.28Å; Y462-H478 WeakPolarHBondContact CA-O 3.21Å; L463-H478 HydrophobicContact CB-CB 4.32Å; L463-H478 PolarHBondContact N-O 2.88Å; L463-H478 PolarHBondContact O-CD2 2.84Å; L463-H478 PolarHBondContact O-N 3.04Å; I476-H478 WeakPolarHBondContact CG2-CE1 3.44Å; H478-R484 WeakPolarHBondContact CA-O 3.4Å; H478-S485 PolarHBondContact CE1-OG 3.03Å; H478-S485 PolarHBondContact ND1-OG 3.48Å
479	H	92.5	Very high	87.7	Confident	16 Å²	16	41.5 Å²	41.5	7%	0.074	23%	0.227	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	108	170	-172.6	-161.8	0	0	0	108	D461 Y462 S481 M483 R484	D461-H479 IonicContact OD1-CD2 3.44Å; D461-H479 PolarHBondContact OD1-CD2 3.19Å; D461-H479 IonicContact OD1-NE2 3.54Å; D461-H479 IonicContact OD2-CD2 3.38Å; D461-H479 PolarHBondContact OD2-CD2 3.35Å; D461-H479 IonicContact OD2-NE2 2.81Å; D461-H479 PolarHBondContact OD2-NE2 2.99Å; Y462-H479 HydrophobicContact CD1-CB 3.92Å; Y462-H479 AromaticContact CD1-CD2 3.89Å; Y462-H479 HydrophobicContact CE1-CB 3.69Å; Y462-H479 AromaticContact CE1-CD2 3.51Å; Y462-H479 AromaticContact CE1-CG 3.46Å; Y462-H479 VanDerWaalsContact CE1-CG 3.46Å; Y462-H479 AromaticContact CE1-ND1 3.99Å; Y462-H479 AromaticContact CZ-CD2 3.77Å; Y462-H479 AromaticContact CZ-NE2 3.84Å; H479-S481 PolarHBondContact NE2-OG 3.45Å; H479-M483 WeakPolarHBondContact O-CA 3.49Å; H479-M483 PolarHBondContact O-N 3.46Å; H479-R484 PolarHBondContact N-O 3.29Å; H479-R484 PolarHBondContact O-N 3.01Å
480	I	89.7	Confident	87.8	Confident	1 Å²	1	39.3 Å²	39.3	1%	0.005	23%	0.233	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-47.1	-165.7	-67.9	158.2	0	0	0	111.2	M381 F392 I413 W429 W456 D461 L463 K482 M483	M381-I480 HydrophobicContact CE-CD1 4.44Å; F392-I480 HydrophobicContact CE1-CD1 3.81Å; F392-I480 HydrophobicContact CE1-CG1 4.37Å; F392-I480 HydrophobicContact CE2-CG1 4.37Å; F392-I480 HydrophobicContact CZ-CD1 3.69Å; F392-I480 HydrophobicContact CZ-CG1 3.77Å; I413-I480 HydrophobicContact CD1-CG2 4.16Å; I413-I480 WeakPolarHBondContact CG2-O 3.42Å; W429-I480 HydrophobicContact CH2-CG1 4.22Å; W456-I480 HydrophobicContact CE3-CD1 4.27Å; W456-I480 HydrophobicContact CH2-CD1 3.3Å; W456-I480 HydrophobicContact CZ3-CD1 3.15Å; D461-I480 PolarHBondContact O-N 3.27Å; L463-I480 HydrophobicContact CB-CD1 4.33Å; I480-K482 PolarHBondContact O-N 2.91Å; I480-M483 PolarHBondContact O-N 3.04Å
481	S	88.3	Confident	88.1	Confident	38 Å²	38	46.9 Å²	46.9	27%	0.266	26%	0.263	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.9	-19.8	179.6	50.9	0	0	0	0	115	N417 D461 H479	N417-S481 PolarHBondContact ND2-O 2.98Å; D461-S481 VanDerWaalsContact CG-OG 3.31Å; D461-S481 VanDerWaalsContact OD1-CB 3.3Å; D461-S481 WeakPolarHBondContact OD1-CB 3.49Å; D461-S481 PolarHBondContact OD1-N 3.14Å; D461-S481 VanDerWaalsContact OD1-N 3.14Å; D461-S481 PolarHBondContact OD1-OG 3.07Å; D461-S481 PolarHBondContact OD2-OG 2.93Å; D461-S481 VanDerWaalsContact OD2-OG 3.09Å; H479-S481 PolarHBondContact NE2-OG 3.45Å
482	K	87.1	Confident	88.3	Confident	125 Å²	125	46.2 Å²	46.2	54%	0.543	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-113.1	4.8	176.5	-63	-170.1	-179.8	-177.7	0	113.8	I480 R484	I480-K482 PolarHBondContact O-N 2.91Å; K482-R484 HydrophobicContact CB-CB 4.38Å; K482-R484 PolarHBondContact O-N 3.47Å
483	M	86.8	Confident	88.5	Confident	3 Å²	3	50.6 Å²	50.6	2%	0.015	26%	0.258	C	S	.	.	T	Hydrogen-bonded Turn	trans	43.8	40.9	-173.5	-68	176.4	165.2	0	0	113.7	I413 W414 N417 W429 L443 H479 I480	I413-M483 HydrophobicContact CB-CE 4.14Å; I413-M483 HydrophobicContact CG2-CE 3.52Å; I413-M483 HydrophobicContact CG2-CG 3.7Å; I413-M483 HydrophobicContact CG2-SD 3.97Å; W414-M483 HydrophobicContact CB-CE 4.07Å; W414-M483 HydrophobicContact CD2-CE 4.41Å; W414-M483 HydrophobicContact CE3-CE 3.59Å; W414-M483 HydrophobicContact CE3-SD 3.92Å; W414-M483 HydrophobicContact CZ3-CE 4.4Å; W414-M483 HydrophobicContact CZ3-SD 4.41Å; N417-M483 HydrophobicContact CB-CB 4.23Å; N417-M483 HydrophobicContact CB-CG 4.35Å; N417-M483 HydrophobicContact CB-SD 4.04Å; W429-M483 HydrophobicContact CD2-CB 4.04Å; W429-M483 HydrophobicContact CD2-CG 4.38Å; W429-M483 HydrophobicContact CE3-CB 4.16Å; W429-M483 HydrophobicContact CE3-CG 4.01Å; W429-M483 HydrophobicContact CG-CB 4.36Å; W429-M483 HydrophobicContact CZ3-CG 4.27Å; W429-M483 PolarHBondContact NE1-O 3.35Å; W429-M483 VanDerWaalsContact NE1-O 3.13Å; L443-M483 HydrophobicContact CD1-CE 3.47Å; L443-M483 VanDerWaalsContact CD1-CE 3.47Å; L443-M483 HydrophobicContact CD2-CE 3.53Å; L443-M483 HydrophobicContact CG-CE 4.15Å; H479-M483 WeakPolarHBondContact O-CA 3.49Å; H479-M483 PolarHBondContact O-N 3.46Å; I480-M483 PolarHBondContact O-N 3.04Å
484	R	88.6	Confident	88.5	Confident	147 Å²	147	51.6 Å²	51.6	56%	0.555	28%	0.276	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-111.6	125.5	-174.4	-171.6	173.2	174.5	-171	0.4	111	H478 H479 K482 Q486	H478-R484 WeakPolarHBondContact CA-O 3.4Å; H479-R484 PolarHBondContact N-O 3.29Å; H479-R484 PolarHBondContact O-N 3.01Å; K482-R484 HydrophobicContact CB-CB 4.38Å; K482-R484 PolarHBondContact O-N 3.47Å; R484-Q486 HydrophobicContact CG-CG 4.08Å; R484-Q486 VanDerWaalsContact CZ-NE2 3.29Å; R484-Q486 VanDerWaalsContact NE-NE2 3.17Å
485	S	90.6	Very high	88.4	Confident	4 Å²	4	55.7 Å²	55.7	3%	0.028	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	127.3	173.1	-60.7	0	0	0	0	110.1	S424 W429 H478	S424-S485 PolarHBondContact OG-O 2.75Å; W429-S485 PolarHBondContact NE1-OG 3.49Å; H478-S485 PolarHBondContact CE1-OG 3.03Å; H478-S485 PolarHBondContact ND1-OG 3.48Å
486	Q	89.8	Confident	88.5	Confident	86 Å²	86	55.7 Å²	55.7	40%	0.402	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	138.1	-180	-58.6	-177.2	10	0	0	110.7	I476 V477 R484 P488	I476-Q486 WeakPolarHBondContact CA-O 3.35Å; V477-Q486 PolarHBondContact N-O 3.32Å; V477-Q486 PolarHBondContact O-N 3.43Å; R484-Q486 HydrophobicContact CG-CG 4.08Å; R484-Q486 VanDerWaalsContact CZ-NE2 3.29Å; R484-Q486 VanDerWaalsContact NE-NE2 3.17Å; Q486-P488 WeakPolarHBondContact O-CD 3.49Å
487	A	89.5	Confident	88.4	Confident	36 Å²	36	55.9 Å²	55.9	30%	0.298	30%	0.298	S	S	.	.			trans	-93.8	106.1	166.7	0	0	0	0	0	108.3	F489	A487-F489 PolarHBondContact O-N 3.3Å
488	P	87.1	Confident	88.5	Confident	53 Å²	53	57 Å²	57	34%	0.344	30%	0.3	S	S	.	.			trans	-69.4	-13	-174.3	27.4	-35.5	0	0	0	113.8	V475 V477 Q486	V475-P488 HydrophobicContact CG1-CG 4.5Å; V475-P488 WeakPolarHBondContact O-CD 3.3Å; V477-P488 HydrophobicContact CG2-CG 4.07Å; Q486-P488 WeakPolarHBondContact O-CD 3.49Å
489	F	87.3	Confident	88.6	Confident	25 Å²	25	57 Å²	57	11%	0.11	30%	0.3	C	S	.	.			trans	-120.5	128.8	-175.8	-53.3	-59.9	0	0	0	111.4	V475 A487 N492 F508 V510 Y519	V475-F489 HydrophobicContact CB-CD2 4.28Å; V475-F489 HydrophobicContact CB-CE2 4.27Å; V475-F489 HydrophobicContact CG1-CE2 4.38Å; V475-F489 HydrophobicContact CG2-CE2 4.45Å; A487-F489 PolarHBondContact O-N 3.3Å; F489-N492 WeakPolarHBondContact CB-OD1 3.36Å; F489-F508 HydrophobicContact CE2-CD1 4.33Å; F489-F508 AromaticContact CE2-CE1 3.93Å; F489-F508 HydrophobicContact CE2-CE1 3.93Å; F489-F508 AromaticContact CZ-CD1 3.89Å; F489-F508 HydrophobicContact CZ-CD1 3.89Å; F489-F508 AromaticContact CZ-CE1 3.97Å; F489-F508 HydrophobicContact CZ-CE1 3.97Å; F489-V510 HydrophobicContact CE2-CG2 3.82Å; F489-V510 HydrophobicContact CZ-CG2 3.77Å; F489-Y519 HydrophobicContact CD1-CE1 4.46Å; F489-Y519 AromaticContact CE1-CD1 3.87Å; F489-Y519 HydrophobicContact CE1-CD1 3.87Å; F489-Y519 AromaticContact CE1-CD2 3.68Å; F489-Y519 HydrophobicContact CE1-CD2 3.68Å; F489-Y519 AromaticContact CE1-CE1 3.86Å; F489-Y519 HydrophobicContact CE1-CE1 3.86Å; F489-Y519 AromaticContact CE1-CE2 3.64Å; F489-Y519 HydrophobicContact CE1-CE2 3.64Å; F489-Y519 AromaticContact CE1-CG 3.78Å; F489-Y519 HydrophobicContact CE1-CG 3.78Å; F489-Y519 AromaticContact CE1-CZ 3.73Å; F489-Y519 AromaticContact CZ-CD2 3.58Å; F489-Y519 HydrophobicContact CZ-CD2 3.58Å; F489-Y519 AromaticContact CZ-CE2 3.59Å; F489-Y519 HydrophobicContact CZ-CE2 3.59Å; F489-Y519 HydrophobicContact CZ-CG 4.09Å
490	A	83.6	Confident	88.7	Confident	97 Å²	97	57.7 Å²	57.7	80%	0.802	31%	0.305	S	S	*	.	S	Bend	trans	-71.5	-34.3	171.5	0	0	0	0	0	112.4
491	K	83.8	Confident	89.1	Confident	183 Å²	183	58.6 Å²	58.6	80%	0.796	31%	0.308	S	S	*	.	S	Bend	trans	-140.4	131.2	179.6	-65.9	-176.3	-179.1	179.5	0	110.9
492	N	82.9	Confident	89.4	Confident	38 Å²	38	57 Å²	57	20%	0.203	30%	0.297	C	S	.	.			trans	-98.5	130.4	176.7	-61.4	-50.9	0	0	0	110.8	G471 S472 T474 F489 G494	G471-N492 PolarHBondContact O-ND2 2.8Å; S472-N492 PolarHBondContact O-ND2 3.17Å; T474-N492 VanDerWaalsContact OG1-CG 3.23Å; T474-N492 PolarHBondContact OG1-ND2 3.09Å; F489-N492 WeakPolarHBondContact CB-OD1 3.36Å; N492-G494 PolarHBondContact O-N 3.03Å
493	K	81.9	Confident	89.6	Confident	152 Å²	152	52.8 Å²	52.8	66%	0.661	28%	0.282	S	S	*	.	S	Bend	trans	-92.6	78.7	-178.7	-67.3	-173.3	178.9	-177.7	0	111.1	T512 R517	K493-T512 WeakPolarHBondContact O-CG2 3.44Å; K493-R517 PolarHBondContact O-NH2 3.44Å
494	G	83.9	Confident	89.8	Confident	51 Å²	51	59.3 Å²	59.3	53%	0.526	32%	0.316	S	S	.	.	S	Bend	trans	97.4	177.1	-179.6	0	0	0	0	0	113.4	N492 V496	N492-G494 PolarHBondContact O-N 3.03Å; G494-V496 PolarHBondContact O-N 3.39Å
495	L	90	Very high	90.1	Very high	91 Å²	91	58 Å²	58	48%	0.476	31%	0.312	S	S	.	.			trans	-71.8	118.5	-178.6	-64.2	173.5	0	0	0	110.8	T512 E513	L495-T512 CarbonylContact O-C 3.56Å; L495-T512 VanDerWaalsContact O-CA 3.24Å; L495-T512 WeakPolarHBondContact O-CA 3.43Å; L495-E513 PolarHBondContact O-N 3.37Å
496	V	93.6	Very high	90.3	Very high	2 Å²	2	61.1 Å²	61.1	1%	0.012	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	127.9	175.9	-178.4	0	0	0	0	109.4	V466 V475 G494 V499 V510 A511 T512	V466-V496 HydrophobicContact CG1-CB 4.39Å; V466-V496 HydrophobicContact CG1-CG1 3.92Å; V475-V496 HydrophobicContact CG2-CB 4.33Å; V475-V496 HydrophobicContact CG2-CG1 3.86Å; V475-V496 HydrophobicContact CG2-CG2 4.18Å; G494-V496 PolarHBondContact O-N 3.39Å; V496-V499 HydrophobicContact CG1-CG2 3.81Å; V496-V510 HydrophobicContact CB-CG1 4.44Å; V496-V510 HydrophobicContact CG1-CG1 3.71Å; V496-V510 HydrophobicContact CG2-CG1 3.84Å; V496-A511 CarbonylContact C-O 3.52Å; V496-A511 WeakPolarHBondContact CA-O 3.34Å; V496-A511 WeakPolarHBondContact CG1-O 3.45Å; V496-T512 HydrophobicContact CG2-CG2 4.39Å
497	Q	92.4	Very high	90.5	Very high	6 Å²	6	59.8 Å²	59.8	3%	0.028	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.4	-47.8	179.8	-64.3	-60.2	-37.9	0	0	111.8	A511 I537	Q497-A511 PolarHBondContact N-O 3.4Å; Q497-I537 WeakPolarHBondContact CG-O 3.35Å
498	R	94.7	Very high	90.8	Very high	42 Å²	42	58.1 Å²	58.1	16%	0.158	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.9	154	-177.1	-71.3	-69.7	-172.3	168.3	-6.4	112.1	Q453 A511 S538 D539	Q453-R498 VanDerWaalsContact CD-NH1 3.33Å; R498-A511 HydrophobicContact CB-CB 4.35Å; R498-A511 WeakPolarHBondContact O-CB 2.99Å; R498-A511 PolarHBondContact O-N 2.94Å; R498-S538 WeakPolarHBondContact CG-O 3.26Å; R498-D539 IonicContact NE-OD1 3.55Å
499	V	95.8	Very high	91.3	Very high	1 Å²	1	55.6 Å²	55.6	1%	0.006	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	142.6	-178.9	170.5	0	0	0	0	109.7	Q453 A464 V466 V475 V496 F508 F509 V510	Q453-V499 PolarHBondContact NE2-O 3.26Å; A464-V499 HydrophobicContact CB-CG1 4.14Å; V466-V499 HydrophobicContact CG2-CB 3.73Å; V466-V499 HydrophobicContact CG2-CG2 3.47Å; V466-V499 VanDerWaalsContact CG2-CG2 3.47Å; V475-V499 HydrophobicContact CG1-CG1 4.48Å; V475-V499 HydrophobicContact CG1-CG2 4.17Å; V475-V499 HydrophobicContact CG2-CG2 3.88Å; V496-V499 HydrophobicContact CG1-CG2 3.81Å; V499-F508 HydrophobicContact CB-CZ 4.46Å; V499-F508 HydrophobicContact CG1-CD2 4.13Å; V499-F508 HydrophobicContact CG1-CE1 3.74Å; V499-F508 HydrophobicContact CG1-CE2 3.26Å; V499-F508 HydrophobicContact CG1-CZ 3.06Å; V499-F509 CarbonylContact C-O 3.55Å; V499-F509 VanDerWaalsContact CA-O 3.28Å; V499-F509 WeakPolarHBondContact CA-O 3.44Å; V499-V510 HydrophobicContact CG2-CG1 4.31Å; V499-V510 HydrophobicContact CG2-CG2 4.36Å
500	L	96.4	Very high	91.7	Very high	31 Å²	31	54.6 Å²	54.6	16%	0.162	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	144.7	174.3	-70.6	-176.8	0	0	0	112	T455 F509 M540 L542	T455-L500 HydrophobicContact CG2-CD2 3.95Å; L500-F509 HydrophobicContact CB-CB 4.38Å; L500-F509 PolarHBondContact N-O 3.23Å; L500-F509 PolarHBondContact O-N 3.39Å; L500-M540 HydrophobicContact CB-SD 4.37Å; L500-M540 HydrophobicContact CD1-CG 3.71Å; L500-M540 VanDerWaalsContact CD1-O 3.3Å; L500-M540 WeakPolarHBondContact CD1-O 3.45Å; L500-M540 HydrophobicContact CD1-SD 4.12Å; L500-M540 HydrophobicContact CG-CG 4.01Å; L500-M540 HydrophobicContact CG-SD 4.2Å; L500-L542 HydrophobicContact CB-CD1 4.1Å; L500-L542 HydrophobicContact CB-CG 4.5Å; L500-L542 HydrophobicContact CD1-CD1 4.36Å; L500-L542 HydrophobicContact CD1-CG 3.92Å
501	F	96.3	Very high	92.3	Very high	20 Å²	20	50 Å²	50	9%	0.088	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.6	143.2	164.3	-66.4	-79.9	0	0	0	110	T455 H457 A464 V477 F508 L521 L542	T455-F501 HydrophobicContact CG2-CD2 4.19Å; H457-F501 HydrophobicContact CB-CD1 4.39Å; H457-F501 HydrophobicContact CB-CD2 3.97Å; H457-F501 HydrophobicContact CB-CE2 4.17Å; H457-F501 HydrophobicContact CB-CG 4.08Å; H457-F501 HydrophobicContact CB-CZ 4.47Å; H457-F501 AromaticContact CD2-CD1 3.79Å; H457-F501 AromaticContact CD2-CG 3.92Å; A464-F501 HydrophobicContact CB-CE2 3.61Å; A464-F501 HydrophobicContact CB-CZ 3.81Å; V477-F501 HydrophobicContact CG1-CZ 4.22Å; V477-F501 HydrophobicContact CG2-CZ 4.44Å; F501-F508 AromaticContact CD1-CD2 3.49Å; F501-F508 HydrophobicContact CD1-CD2 3.49Å; F501-F508 VanDerWaalsContact CD1-CD2 3.49Å; F501-F508 AromaticContact CD1-CE2 3.81Å; F501-F508 HydrophobicContact CD1-CE2 3.81Å; F501-F508 HydrophobicContact CD2-CE2 4.42Å; F501-F508 AromaticContact CE1-CD2 3.5Å; F501-F508 HydrophobicContact CE1-CD2 3.5Å; F501-F508 VanDerWaalsContact CE1-CD2 3.5Å; F501-F508 AromaticContact CE1-CE2 3.44Å; F501-F508 HydrophobicContact CE1-CE2 3.44Å; F501-F508 VanDerWaalsContact CE1-CE2 3.44Å; F501-F508 HydrophobicContact CE2-CE2 4.11Å; F501-F508 HydrophobicContact CG-CD2 4.13Å; F501-F508 HydrophobicContact CG-CE2 4.29Å; F501-F508 HydrophobicContact CZ-CD2 4.15Å; F501-F508 AromaticContact CZ-CE2 3.61Å; F501-F508 HydrophobicContact CZ-CE2 3.61Å; F501-L521 HydrophobicContact CD1-CD1 4.35Å; F501-L521 HydrophobicContact CE1-CD1 4.13Å; F501-L542 WeakPolarHBondContact O-CD1 3.48Å
502	H	96	Very high	92.8	Very high	4 Å²	4	41.6 Å²	41.6	2%	0.019	22%	0.215	C	C	.	.			trans	-69.6	141.6	170.1	-178.1	-66.4	0	0	0	110.2	L504 R505 Y507 F509 G546	H502-L504 PolarHBondContact ND1-N 3.36Å; H502-L504 PolarHBondContact O-N 3.33Å; H502-R505 WeakPolarHBondContact CB-O 3.33Å; H502-R505 PolarHBondContact CE1-N 3.16Å; H502-R505 VanDerWaalsContact CE1-N 3.33Å; H502-R505 PolarHBondContact ND1-N 3.17Å; H502-Y507 VanDerWaalsContact CB-O 3.29Å; H502-Y507 WeakPolarHBondContact CB-O 3.14Å; H502-Y507 PolarHBondContact N-O 3.21Å; H502-F509 HydrophobicContact CB-CD2 4.5Å; H502-F509 HydrophobicContact CB-CE2 4.07Å; H502-F509 AromaticContact CD2-CE2 3.99Å; H502-G546 WeakPolarHBondContact NE2-CA 3.39Å; H502-G546 PolarHBondContact NE2-O 2.92Å
503	P	91.5	Very high	93.2	Very high	37 Å²	37	42.9 Å²	42.9	24%	0.24	22%	0.22	C	C	.	.	S	Bend	trans	-63.4	-41.3	-173.5	21.1	-33	0	0	0	113.8	S458 P544	S458-P503 PolarHBondContact OG-O 2.85Å; P503-P544 VanDerWaalsContact CG-O 3.3Å; P503-P544 WeakPolarHBondContact CG-O 3.33Å
504	L	91.1	Very high	93.8	Very high	139 Å²	139	42.4 Å²	42.4	73%	0.728	21%	0.213	S	C	*	.	S	Bend	trans	-112.3	-52.4	-173.2	-56.2	175.2	0	0	0	114.9	H502	H502-L504 PolarHBondContact ND1-N 3.36Å; H502-L504 PolarHBondContact O-N 3.33Å
505	R	93.3	Very high	94.3	Very high	121 Å²	121	42 Å²	42	46%	0.457	20%	0.198	S	C	.	.	S	Bend	trans	-80.3	155	179.9	-62.2	176.5	175.7	166.4	-2	111.6	H502 Y507	H502-R505 WeakPolarHBondContact CB-O 3.33Å; H502-R505 PolarHBondContact CE1-N 3.16Å; H502-R505 VanDerWaalsContact CE1-N 3.33Å; H502-R505 PolarHBondContact ND1-N 3.17Å; R505-Y507 HydrophobicContact CB-CD1 4.34Å; R505-Y507 HydrophobicContact CB-CD2 4.13Å; R505-Y507 HydrophobicContact CB-CE1 4.5Å; R505-Y507 HydrophobicContact CB-CE2 4.33Å; R505-Y507 HydrophobicContact CB-CG 4.15Å; R505-Y507 PolarHBondContact O-N 3.45Å
506	P	94.6	Very high	94.6	Very high	69 Å²	69	37.7 Å²	37.7	45%	0.448	18%	0.175	S	C	.	.	S	Bend	trans	-77	48.5	177	34.4	-37.7	0	0	0	112.2	L521 A522	P506-L521 PolarHBondContact O-N 3.28Å; P506-A522 HydrophobicContact CB-CB 4.45Å; P506-A522 HydrophobicContact CG-CB 4.2Å
507	Y	95.5	Very high	94.7	Very high	58 Å²	58	38.6 Å²	38.6	23%	0.227	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	148.7	178.5	-63.9	-10.4	0	0	0	110.9	H502 R505 V518 Y519 N520 I527	H502-Y507 VanDerWaalsContact CB-O 3.29Å; H502-Y507 WeakPolarHBondContact CB-O 3.14Å; H502-Y507 PolarHBondContact N-O 3.21Å; R505-Y507 HydrophobicContact CB-CD1 4.34Å; R505-Y507 HydrophobicContact CB-CD2 4.13Å; R505-Y507 HydrophobicContact CB-CE1 4.5Å; R505-Y507 HydrophobicContact CB-CE2 4.33Å; R505-Y507 HydrophobicContact CB-CG 4.15Å; R505-Y507 PolarHBondContact O-N 3.45Å; Y507-V518 HydrophobicContact CD2-CG1 4.37Å; Y507-V518 HydrophobicContact CG-CG1 4.45Å; Y507-Y519 CarbonylContact C-O 3.58Å; Y507-Y519 VanDerWaalsContact CA-O 3.23Å; Y507-Y519 WeakPolarHBondContact CA-O 3.36Å; Y507-N520 HydrophobicContact CD1-CB 4.3Å; Y507-N520 HydrophobicContact CE1-CB 4.28Å; Y507-I527 HydrophobicContact CD1-CD1 3.47Å; Y507-I527 VanDerWaalsContact CD1-CD1 3.47Å; Y507-I527 HydrophobicContact CD2-CD1 4.09Å; Y507-I527 HydrophobicContact CE1-CD1 3.2Å; Y507-I527 HydrophobicContact CE2-CD1 3.84Å; Y507-I527 HydrophobicContact CG-CD1 3.92Å
508	F	96.2	Very high	94.9	Very high	0 Å²	0	38.5 Å²	38.5	0%	0	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	118.9	-175.9	-169.9	-116.7	0	0	0	110.3	A464 V475 V477 F489 V499 F501 V510 Y519 L521	A464-F508 HydrophobicContact CB-CE2 4.09Å; A464-F508 HydrophobicContact CB-CZ 4.14Å; V475-F508 HydrophobicContact CG1-CE1 3.88Å; V475-F508 HydrophobicContact CG1-CZ 3.79Å; V477-F508 HydrophobicContact CG2-CZ 4.07Å; F489-F508 HydrophobicContact CE2-CD1 4.33Å; F489-F508 AromaticContact CE2-CE1 3.93Å; F489-F508 HydrophobicContact CE2-CE1 3.93Å; F489-F508 AromaticContact CZ-CD1 3.89Å; F489-F508 HydrophobicContact CZ-CD1 3.89Å; F489-F508 AromaticContact CZ-CE1 3.97Å; F489-F508 HydrophobicContact CZ-CE1 3.97Å; V499-F508 HydrophobicContact CB-CZ 4.46Å; V499-F508 HydrophobicContact CG1-CD2 4.13Å; V499-F508 HydrophobicContact CG1-CE1 3.74Å; V499-F508 HydrophobicContact CG1-CE2 3.26Å; V499-F508 HydrophobicContact CG1-CZ 3.06Å; F501-F508 AromaticContact CD1-CD2 3.49Å; F501-F508 HydrophobicContact CD1-CD2 3.49Å; F501-F508 VanDerWaalsContact CD1-CD2 3.49Å; F501-F508 AromaticContact CD1-CE2 3.81Å; F501-F508 HydrophobicContact CD1-CE2 3.81Å; F501-F508 HydrophobicContact CD2-CE2 4.42Å; F501-F508 AromaticContact CE1-CD2 3.5Å; F501-F508 HydrophobicContact CE1-CD2 3.5Å; F501-F508 VanDerWaalsContact CE1-CD2 3.5Å; F501-F508 AromaticContact CE1-CE2 3.44Å; F501-F508 HydrophobicContact CE1-CE2 3.44Å; F501-F508 VanDerWaalsContact CE1-CE2 3.44Å; F501-F508 HydrophobicContact CE2-CE2 4.11Å; F501-F508 HydrophobicContact CG-CD2 4.13Å; F501-F508 HydrophobicContact CG-CE2 4.29Å; F501-F508 HydrophobicContact CZ-CD2 4.15Å; F501-F508 AromaticContact CZ-CE2 3.61Å; F501-F508 HydrophobicContact CZ-CE2 3.61Å; F508-V510 HydrophobicContact CD1-CG2 3.7Å; F508-V510 HydrophobicContact CE1-CG2 3.76Å; F508-Y519 PolarHBondContact N-O 2.65Å; F508-Y519 PolarHBondContact O-N 2.72Å; F508-L521 HydrophobicContact CB-CD1 3.89Å; F508-L521 HydrophobicContact CB-CD2 3.65Å; F508-L521 HydrophobicContact CB-CG 3.68Å; F508-L521 HydrophobicContact CD1-CD2 4.24Å; F508-L521 HydrophobicContact CD2-CD1 4.38Å; F508-L521 HydrophobicContact CG-CD1 4.3Å; F508-L521 HydrophobicContact CG-CD2 4.05Å; F508-L521 HydrophobicContact CG-CG 4.41Å
509	F	96.6	Very high	94.9	Very high	0 Å²	0	38.2 Å²	38.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	128	-175.8	-73	-105.9	0	0	0	109.4	V499 L500 H502 V516 R517 V518 M540 L542 V549 L563	V499-F509 CarbonylContact C-O 3.55Å; V499-F509 VanDerWaalsContact CA-O 3.28Å; V499-F509 WeakPolarHBondContact CA-O 3.44Å; L500-F509 HydrophobicContact CB-CB 4.38Å; L500-F509 PolarHBondContact N-O 3.23Å; L500-F509 PolarHBondContact O-N 3.39Å; H502-F509 HydrophobicContact CB-CD2 4.5Å; H502-F509 HydrophobicContact CB-CE2 4.07Å; H502-F509 AromaticContact CD2-CE2 3.99Å; F509-V516 HydrophobicContact CD1-CG1 3.94Å; F509-R517 WeakPolarHBondContact CA-O 3.39Å; F509-V518 HydrophobicContact CD1-CG1 4.46Å; F509-V518 HydrophobicContact CD1-CG2 3.64Å; F509-V518 HydrophobicContact CD2-CG1 4.38Å; F509-V518 HydrophobicContact CE1-CB 4.27Å; F509-V518 HydrophobicContact CE1-CG1 4.01Å; F509-V518 HydrophobicContact CE1-CG2 3.33Å; F509-V518 HydrophobicContact CE2-CG1 3.91Å; F509-V518 HydrophobicContact CG-CG2 4.44Å; F509-V518 HydrophobicContact CZ-CB 4.46Å; F509-V518 HydrophobicContact CZ-CG1 3.71Å; F509-V518 HydrophobicContact CZ-CG2 3.92Å; F509-M540 HydrophobicContact CB-SD 3.84Å; F509-L542 HydrophobicContact CD1-CD2 3.98Å; F509-L542 HydrophobicContact CD2-CD1 3.76Å; F509-L542 HydrophobicContact CD2-CD2 4.12Å; F509-L542 HydrophobicContact CE1-CD2 3.89Å; F509-L542 HydrophobicContact CE2-CD1 3.97Å; F509-L542 HydrophobicContact CE2-CD2 4.03Å; F509-L542 HydrophobicContact CG-CD1 4.3Å; F509-L542 HydrophobicContact CG-CD2 4.11Å; F509-L542 HydrophobicContact CZ-CD2 3.92Å; F509-V549 HydrophobicContact CD1-CG2 4.39Å; F509-V549 HydrophobicContact CE1-CG2 3.72Å; F509-V549 HydrophobicContact CZ-CG2 4.3Å; F509-L563 HydrophobicContact CE1-CD1 4.12Å; F509-L563 HydrophobicContact CE1-CD2 4.19Å; F509-L563 HydrophobicContact CZ-CD1 3.75Å
510	V	95.5	Very high	94.9	Very high	4 Å²	4	39 Å²	39	2%	0.024	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	108.7	179	-177.5	0	0	0	0	108.7	F489 V496 V499 F508 T512 V516 R517 Y519	F489-V510 HydrophobicContact CE2-CG2 3.82Å; F489-V510 HydrophobicContact CZ-CG2 3.77Å; V496-V510 HydrophobicContact CB-CG1 4.44Å; V496-V510 HydrophobicContact CG1-CG1 3.71Å; V496-V510 HydrophobicContact CG2-CG1 3.84Å; V499-V510 HydrophobicContact CG2-CG1 4.31Å; V499-V510 HydrophobicContact CG2-CG2 4.36Å; F508-V510 HydrophobicContact CD1-CG2 3.7Å; F508-V510 HydrophobicContact CE1-CG2 3.76Å; V510-T512 PolarHBondContact O-N 3.25Å; V510-V516 WeakPolarHBondContact O-CA 2.97Å; V510-R517 PolarHBondContact N-O 3.09Å; V510-R517 PolarHBondContact O-N 3.36Å; V510-Y519 HydrophobicContact CB-CE2 4.07Å; V510-Y519 HydrophobicContact CG2-CD2 3.9Å; V510-Y519 HydrophobicContact CG2-CE2 3.81Å
511	A	95.7	Very high	94.7	Very high	0 Å²	0	40.6 Å²	40.6	0%	0	19%	0.19	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	115	167.4	0	0	0	0	0	108.8	V496 Q497 R498 V516 I537 M540	V496-A511 CarbonylContact C-O 3.52Å; V496-A511 WeakPolarHBondContact CA-O 3.34Å; V496-A511 WeakPolarHBondContact CG1-O 3.45Å; Q497-A511 PolarHBondContact N-O 3.4Å; R498-A511 HydrophobicContact CB-CB 4.35Å; R498-A511 WeakPolarHBondContact O-CB 2.99Å; R498-A511 PolarHBondContact O-N 2.94Å; A511-V516 HydrophobicContact CB-CG2 4.35Å; A511-I537 HydrophobicContact CB-CD1 4.4Å; A511-I537 HydrophobicContact CB-CG2 3.89Å; A511-M540 VanDerWaalsContact CA-CE 3.47Å; A511-M540 HydrophobicContact CB-CE 3.03Å
512	T	94	Very high	94.5	Very high	7 Å²	7	43.4 Å²	43.4	4%	0.043	22%	0.217	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	174.4	156.2	61.2	0	0	0	0	109.5	K493 L495 V496 V510 R514 H515 R517 I537	K493-T512 WeakPolarHBondContact O-CG2 3.44Å; L495-T512 CarbonylContact O-C 3.56Å; L495-T512 VanDerWaalsContact O-CA 3.24Å; L495-T512 WeakPolarHBondContact O-CA 3.43Å; V496-T512 HydrophobicContact CG2-CG2 4.39Å; V510-T512 PolarHBondContact O-N 3.25Å; T512-R514 PolarHBondContact O-N 3.11Å; T512-R514 VanDerWaalsContact O-N 3.09Å; T512-H515 PolarHBondContact N-O 3.42Å; T512-H515 PolarHBondContact OG1-N 3.27Å; T512-H515 PolarHBondContact OG1-O 3.15Å; T512-R517 PolarHBondContact OG1-NH1 3.18Å; T512-I537 WeakPolarHBondContact O-CD1 3.4Å
513	E	92.6	Very high	94.4	Very high	66 Å²	66	50.1 Å²	50.1	31%	0.308	25%	0.246	S	C	.	.	S	Bend	trans	-49.6	-39.6	-180	-155.3	-177.6	167.7	0	0	114.2	L495 R536 I537	L495-E513 PolarHBondContact O-N 3.37Å; E513-R536 HydrophobicContact CG-CB 4.21Å; E513-R536 HydrophobicContact CG-CG 3.77Å; E513-R536 CarbonylContact O-C 3.58Å; E513-R536 VanDerWaalsContact O-CA 3.29Å; E513-R536 WeakPolarHBondContact O-CA 3.5Å; E513-I537 WeakPolarHBondContact O-CG1 3.26Å; E513-I537 PolarHBondContact O-N 3Å
514	R	93.5	Very high	94.3	Very high	141 Å²	141	56.9 Å²	56.9	53%	0.532	27%	0.274	S	S	.	.	S	Bend	trans	-116.1	-15.1	-174	-65.8	-178.2	179.2	179.3	0.3	115.7	T512 T532 Q535	T512-R514 PolarHBondContact O-N 3.11Å; T512-R514 VanDerWaalsContact O-N 3.09Å; R514-T532 PolarHBondContact O-OG1 2.93Å; R514-Q535 WeakPolarHBondContact CG-O 3.47Å
515	H	95.4	Very high	94.4	Very high	44 Å²	44	56 Å²	56	20%	0.204	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.4	148.5	-170.8	-54.7	-50.3	0	0	0	111.4	T512 K529 Y531	T512-H515 PolarHBondContact N-O 3.42Å; T512-H515 PolarHBondContact OG1-N 3.27Å; T512-H515 PolarHBondContact OG1-O 3.15Å; H515-K529 HydrophobicContact CB-CG 4.48Å; H515-K529 WeakPolarHBondContact CD2-CE 3.49Å; H515-K529 VanDerWaalsContact CG-CE 3.48Å; H515-K529 PolarHBondContact NE2-NZ 3.43Å; H515-Y531 AromaticContact CE1-CD1 3.81Å; H515-Y531 AromaticContact ND1-CD1 3.98Å
516	V	96.4	Very high	94.4	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	27%	0.266	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	127.5	167.9	179.8	0	0	0	0	108.8	F509 V510 A511 L530 T532 I537 M540 V551	F509-V516 HydrophobicContact CD1-CG1 3.94Å; V510-V516 WeakPolarHBondContact O-CA 2.97Å; A511-V516 HydrophobicContact CB-CG2 4.35Å; V516-L530 HydrophobicContact CB-CB 4.14Å; V516-L530 HydrophobicContact CB-CD1 4.14Å; V516-L530 HydrophobicContact CB-CG 4.41Å; V516-L530 HydrophobicContact CG1-CD1 4.19Å; V516-L530 PolarHBondContact N-O 3.48Å; V516-L530 PolarHBondContact O-N 3.07Å; V516-T532 HydrophobicContact CG2-CG2 4.48Å; V516-I537 HydrophobicContact CG2-CD1 3.89Å; V516-M540 HydrophobicContact CB-CE 4.4Å; V516-M540 HydrophobicContact CG1-CE 3.8Å; V516-M540 HydrophobicContact CG1-SD 4.39Å; V516-M540 HydrophobicContact CG2-CE 3.78Å; V516-V551 HydrophobicContact CG2-CG2 3.98Å
517	R	95.4	Very high	94.4	Very high	20 Å²	20	54.3 Å²	54.3	8%	0.075	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	133.1	177.6	-72.3	179.2	-177	77.1	-9	109.4	K493 F509 V510 T512 Y519 L526 K529	K493-R517 PolarHBondContact O-NH2 3.44Å; F509-R517 WeakPolarHBondContact CA-O 3.39Å; V510-R517 PolarHBondContact N-O 3.09Å; V510-R517 PolarHBondContact O-N 3.36Å; T512-R517 PolarHBondContact OG1-NH1 3.18Å; R517-Y519 HydrophobicContact CB-CD2 4.38Å; R517-Y519 HydrophobicContact CB-CE2 3.64Å; R517-Y519 WeakPolarHBondContact CD-OH 3.41Å; R517-L526 HydrophobicContact CB-CD1 3.73Å; R517-L526 HydrophobicContact CG-CD1 4.1Å; R517-K529 HydrophobicContact CG-CG 4.4Å
518	V	95.7	Very high	94.3	Very high	5 Å²	5	54.8 Å²	54.8	3%	0.03	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	113.6	-179.2	-170.9	0	0	0	0	108.4	Y507 F509 L526 I527 K528	Y507-V518 HydrophobicContact CD2-CG1 4.37Å; Y507-V518 HydrophobicContact CG-CG1 4.45Å; F509-V518 HydrophobicContact CD1-CG1 4.46Å; F509-V518 HydrophobicContact CD1-CG2 3.64Å; F509-V518 HydrophobicContact CD2-CG1 4.38Å; F509-V518 HydrophobicContact CE1-CB 4.27Å; F509-V518 HydrophobicContact CE1-CG1 4.01Å; F509-V518 HydrophobicContact CE1-CG2 3.33Å; F509-V518 HydrophobicContact CE2-CG1 3.91Å; F509-V518 HydrophobicContact CG-CG2 4.44Å; F509-V518 HydrophobicContact CZ-CB 4.46Å; F509-V518 HydrophobicContact CZ-CG1 3.71Å; F509-V518 HydrophobicContact CZ-CG2 3.92Å; V518-L526 WeakPolarHBondContact O-CD1 3.31Å; V518-I527 HydrophobicContact CG1-CD1 4.48Å; V518-I527 PolarHBondContact O-N 3.36Å; V518-K528 HydrophobicContact CB-CB 4.27Å; V518-K528 HydrophobicContact CG2-CB 4.24Å; V518-K528 PolarHBondContact N-O 3.16Å; V518-K528 PolarHBondContact O-N 3.13Å
519	Y	95.3	Very high	94.3	Very high	36 Å²	36	57.5 Å²	57.5	14%	0.141	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	142.8	179	-61.6	-85.1	0	0	0	110.8	F489 Y507 F508 V510 R517 Q525 L526	F489-Y519 HydrophobicContact CD1-CE1 4.46Å; F489-Y519 AromaticContact CE1-CD1 3.87Å; F489-Y519 HydrophobicContact CE1-CD1 3.87Å; F489-Y519 AromaticContact CE1-CD2 3.68Å; F489-Y519 HydrophobicContact CE1-CD2 3.68Å; F489-Y519 AromaticContact CE1-CE1 3.86Å; F489-Y519 HydrophobicContact CE1-CE1 3.86Å; F489-Y519 AromaticContact CE1-CE2 3.64Å; F489-Y519 HydrophobicContact CE1-CE2 3.64Å; F489-Y519 AromaticContact CE1-CG 3.78Å; F489-Y519 HydrophobicContact CE1-CG 3.78Å; F489-Y519 AromaticContact CE1-CZ 3.73Å; F489-Y519 AromaticContact CZ-CD2 3.58Å; F489-Y519 HydrophobicContact CZ-CD2 3.58Å; F489-Y519 AromaticContact CZ-CE2 3.59Å; F489-Y519 HydrophobicContact CZ-CE2 3.59Å; F489-Y519 HydrophobicContact CZ-CG 4.09Å; Y507-Y519 CarbonylContact C-O 3.58Å; Y507-Y519 VanDerWaalsContact CA-O 3.23Å; Y507-Y519 WeakPolarHBondContact CA-O 3.36Å; F508-Y519 PolarHBondContact N-O 2.65Å; F508-Y519 PolarHBondContact O-N 2.72Å; V510-Y519 HydrophobicContact CB-CE2 4.07Å; V510-Y519 HydrophobicContact CG2-CD2 3.9Å; V510-Y519 HydrophobicContact CG2-CE2 3.81Å; R517-Y519 HydrophobicContact CB-CD2 4.38Å; R517-Y519 HydrophobicContact CB-CE2 3.64Å; R517-Y519 WeakPolarHBondContact CD-OH 3.41Å; Y519-Q525 CarbonylContact C-O 3.57Å; Y519-Q525 WeakPolarHBondContact CA-O 3.38Å; Y519-L526 HydrophobicContact CD1-CB 3.96Å; Y519-L526 HydrophobicContact CD1-CD1 3.91Å; Y519-L526 HydrophobicContact CE1-CB 3.9Å; Y519-L526 HydrophobicContact CE1-CD1 3.64Å; Y519-L526 HydrophobicContact CE1-CG 4.34Å; Y519-L526 HydrophobicContact CE2-CD1 4.39Å; Y519-L526 HydrophobicContact CG-CD1 4.39Å
520	N	95.5	Very high	94.3	Very high	16 Å²	16	57.5 Å²	57.5	9%	0.086	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	114.6	164.2	-168	-39.2	0	0	0	108	Y507 A522 K523 Q524 Q525 I527	Y507-N520 HydrophobicContact CD1-CB 4.3Å; Y507-N520 HydrophobicContact CE1-CB 4.28Å; N520-A522 WeakPolarHBondContact OD1-CB 3.35Å; N520-A522 PolarHBondContact OD1-N 3.43Å; N520-K523 HydrophobicContact CB-CB 4.11Å; N520-K523 PolarHBondContact OD1-N 2.97Å; N520-K523 VanDerWaalsContact OD1-N 3.09Å; N520-Q524 VanDerWaalsContact O-CA 3.26Å; N520-Q524 WeakPolarHBondContact O-CA 3.11Å; N520-Q524 PolarHBondContact O-N 2.86Å; N520-Q525 PolarHBondContact N-O 3.2Å; N520-Q525 PolarHBondContact O-N 3.19Å; N520-I527 HydrophobicContact CB-CD1 3.66Å; N520-I527 HydrophobicContact CB-CG1 3.78Å
521	L	92.6	Very high	94.3	Very high	66 Å²	66	61.9 Å²	61.9	35%	0.346	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.3	-33.1	-179.8	-64.5	-179.3	0	0	0	112.3	F501 P506 F508	F501-L521 HydrophobicContact CD1-CD1 4.35Å; F501-L521 HydrophobicContact CE1-CD1 4.13Å; P506-L521 PolarHBondContact O-N 3.28Å; F508-L521 HydrophobicContact CB-CD1 3.89Å; F508-L521 HydrophobicContact CB-CD2 3.65Å; F508-L521 HydrophobicContact CB-CG 3.68Å; F508-L521 HydrophobicContact CD1-CD2 4.24Å; F508-L521 HydrophobicContact CD2-CD1 4.38Å; F508-L521 HydrophobicContact CG-CD1 4.3Å; F508-L521 HydrophobicContact CG-CD2 4.05Å; F508-L521 HydrophobicContact CG-CG 4.41Å
522	A	92.4	Very high	94.2	Very high	79 Å²	79	62 Å²	62	65%	0.653	29%	0.294	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.3	-41.1	179.7	0	0	0	0	0	111.8	P506 N520	P506-A522 HydrophobicContact CB-CB 4.45Å; P506-A522 HydrophobicContact CG-CB 4.2Å; N520-A522 WeakPolarHBondContact OD1-CB 3.35Å; N520-A522 PolarHBondContact OD1-N 3.43Å
523	K	93.2	Very high	94.1	Very high	145 Å²	145	66.5 Å²	66.5	63%	0.63	32%	0.318	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-9.8	176.8	-61.9	-173.6	178.1	-174.1	0	113.9	N520 Q525	N520-K523 HydrophobicContact CB-CB 4.11Å; N520-K523 PolarHBondContact OD1-N 2.97Å; N520-K523 VanDerWaalsContact OD1-N 3.09Å; K523-Q525 VanDerWaalsContact C-N 3.29Å; K523-Q525 HydrophobicContact CB-CB 4.42Å; K523-Q525 WeakPolarHBondContact O-CG 3.47Å; K523-Q525 PolarHBondContact O-N 3.41Å
524	Q	90.6	Very high	94.1	Very high	178 Å²	178	63.6 Å²	63.6	83%	0.832	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.3	40.7	-173.8	-58.8	-178.3	-17.5	0	0	113.9	N520	N520-Q524 VanDerWaalsContact O-CA 3.26Å; N520-Q524 WeakPolarHBondContact O-CA 3.11Å; N520-Q524 PolarHBondContact O-N 2.86Å
525	Q	93.3	Very high	94.1	Very high	121 Å²	121	62.4 Å²	62.4	57%	0.565	31%	0.305	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-130.1	150	-173.8	-75.8	171.5	-3.4	0	0	112.2	Y519 N520 K523	Y519-Q525 CarbonylContact C-O 3.57Å; Y519-Q525 WeakPolarHBondContact CA-O 3.38Å; N520-Q525 PolarHBondContact N-O 3.2Å; N520-Q525 PolarHBondContact O-N 3.19Å; K523-Q525 VanDerWaalsContact C-N 3.29Å; K523-Q525 HydrophobicContact CB-CB 4.42Å; K523-Q525 WeakPolarHBondContact O-CG 3.47Å; K523-Q525 PolarHBondContact O-N 3.41Å
526	L	93.2	Very high	94	Very high	86 Å²	86	65.5 Å²	65.5	45%	0.45	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	126.1	168.1	179.5	72.5	0	0	0	109.3	R517 V518 Y519	R517-L526 HydrophobicContact CB-CD1 3.73Å; R517-L526 HydrophobicContact CG-CD1 4.1Å; V518-L526 WeakPolarHBondContact O-CD1 3.31Å; Y519-L526 HydrophobicContact CD1-CB 3.96Å; Y519-L526 HydrophobicContact CD1-CD1 3.91Å; Y519-L526 HydrophobicContact CE1-CB 3.9Å; Y519-L526 HydrophobicContact CE1-CD1 3.64Å; Y519-L526 HydrophobicContact CE1-CG 4.34Å; Y519-L526 HydrophobicContact CE2-CD1 4.39Å; Y519-L526 HydrophobicContact CG-CD1 4.39Å
527	I	93.7	Very high	94	Very high	69 Å²	69	65.5 Å²	65.5	35%	0.354	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	-55.9	178.7	-44.5	177.1	0	0	0	110.6	Y507 V518 N520	Y507-I527 HydrophobicContact CD1-CD1 3.47Å; Y507-I527 VanDerWaalsContact CD1-CD1 3.47Å; Y507-I527 HydrophobicContact CD2-CD1 4.09Å; Y507-I527 HydrophobicContact CE1-CD1 3.2Å; Y507-I527 HydrophobicContact CE2-CD1 3.84Å; Y507-I527 HydrophobicContact CG-CD1 3.92Å; V518-I527 HydrophobicContact CG1-CD1 4.48Å; V518-I527 PolarHBondContact O-N 3.36Å; N520-I527 HydrophobicContact CB-CD1 3.66Å; N520-I527 HydrophobicContact CB-CG1 3.78Å
528	K	93.8	Very high	94	Very high	67 Å²	67	64.6 Å²	64.6	29%	0.291	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.6	147.5	-173.2	-67.4	-175.3	179.2	-178.4	0	110.6	V518 L563 D564	V518-K528 HydrophobicContact CB-CB 4.27Å; V518-K528 HydrophobicContact CG2-CB 4.24Å; V518-K528 PolarHBondContact N-O 3.16Å; V518-K528 PolarHBondContact O-N 3.13Å; K528-L563 PolarHBondContact NZ-O 2.84Å; K528-D564 IonicContact NZ-OD1 3.74Å; K528-D564 PolarHBondContact NZ-OD1 3.11Å
529	K	95.5	Very high	93.9	Very high	58 Å²	58	65 Å²	65	25%	0.252	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	114.9	170.2	-179.4	-172.8	172.7	-166	0	108.4	H515 R517 Y531 T567	H515-K529 HydrophobicContact CB-CG 4.48Å; H515-K529 WeakPolarHBondContact CD2-CE 3.49Å; H515-K529 VanDerWaalsContact CG-CE 3.48Å; H515-K529 PolarHBondContact NE2-NZ 3.43Å; R517-K529 HydrophobicContact CG-CG 4.4Å; K529-Y531 HydrophobicContact CD-CE1 4.33Å; K529-Y531 HydrophobicContact CD-CE2 4.23Å; K529-Y531 HydrophobicContact CG-CE2 4.28Å; K529-Y531 WeakPolarHBondContact O-CD2 3.4Å; K529-Y531 WeakPolarHBondContact O-CE2 3.29Å; K529-T567 WeakPolarHBondContact O-CB 3.4Å
530	L	96.5	Very high	94	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	133.7	178.9	-50.3	178.8	0	0	0	110.5	V516 F561 L563 T567	V516-L530 HydrophobicContact CB-CB 4.14Å; V516-L530 HydrophobicContact CB-CD1 4.14Å; V516-L530 HydrophobicContact CB-CG 4.41Å; V516-L530 HydrophobicContact CG1-CD1 4.19Å; V516-L530 PolarHBondContact N-O 3.48Å; V516-L530 PolarHBondContact O-N 3.07Å; L530-F561 HydrophobicContact CB-CD1 4.15Å; L530-F561 HydrophobicContact CB-CE1 3.89Å; L530-F561 HydrophobicContact CB-CZ 4.26Å; L530-F561 HydrophobicContact CD1-CB 4.3Å; L530-F561 HydrophobicContact CD1-CD1 4.2Å; L530-F561 HydrophobicContact CD1-CG 4.1Å; L530-F561 HydrophobicContact CD2-CD1 4.26Å; L530-F561 HydrophobicContact CG-CD1 4.44Å; L530-L563 HydrophobicContact CD1-CD2 3.75Å; L530-L563 HydrophobicContact CD2-CD2 3.98Å; L530-L563 HydrophobicContact CG-CD2 4.41Å; L530-T567 WeakPolarHBondContact CA-O 3.4Å
531	Y	96	Very high	94	Very high	95 Å²	95	63 Å²	63	37%	0.373	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	104.2	-178.3	-67.5	-94.1	0	0	0	110	H515 K529 T567 P569	H515-Y531 AromaticContact CE1-CD1 3.81Å; H515-Y531 AromaticContact ND1-CD1 3.98Å; K529-Y531 HydrophobicContact CD-CE1 4.33Å; K529-Y531 HydrophobicContact CD-CE2 4.23Å; K529-Y531 HydrophobicContact CG-CE2 4.28Å; K529-Y531 WeakPolarHBondContact O-CD2 3.4Å; K529-Y531 WeakPolarHBondContact O-CE2 3.29Å; Y531-T567 PolarHBondContact N-O 3.21Å; Y531-P569 WeakPolarHBondContact O-CD 3.35Å
532	T	93.7	Very high	94.2	Very high	2 Å²	2	61 Å²	61	1%	0.012	30%	0.296	C	S	.	.			trans	-83.2	-25.5	-174.8	64.1	0	0	0	0	114.4	R514 V516 M534 I537 V551 N559 F561	R514-T532 PolarHBondContact O-OG1 2.93Å; V516-T532 HydrophobicContact CG2-CG2 4.48Å; T532-M534 PolarHBondContact O-N 2.93Å; T532-M534 PolarHBondContact OG1-N 3.35Å; T532-I537 HydrophobicContact CG2-CD1 3.72Å; T532-I537 HydrophobicContact CG2-CG1 4.36Å; T532-V551 HydrophobicContact CG2-CG1 4.17Å; T532-N559 PolarHBondContact O-ND2 3.29Å; T532-F561 HydrophobicContact CG2-CE2 3.9Å; T532-F561 HydrophobicContact CG2-CZ 3.74Å
533	N	92	Very high	94.3	Very high	103 Å²	103	58 Å²	58	55%	0.551	27%	0.269	S	S	*	.			trans	53.6	30	-169.7	-57.7	-3.3	0	0	0	112.9	R557	N533-R557 PolarHBondContact O-NH1 3.39Å; N533-R557 VanDerWaalsContact O-NH1 3.12Å
534	M	93.2	Very high	94.3	Very high	5 Å²	5	53.4 Å²	53.4	3%	0.025	25%	0.254	C	S	.	.			trans	-100.7	150.5	167.1	-55.8	177.9	-155.2	0	0	108.7	T532 I537 V551 G553 D555 R557 N559	T532-M534 PolarHBondContact O-N 2.93Å; T532-M534 PolarHBondContact OG1-N 3.35Å; M534-I537 HydrophobicContact SD-CG1 4.45Å; M534-V551 HydrophobicContact CE-CB 4.07Å; M534-V551 HydrophobicContact CE-CG1 3.89Å; M534-V551 WeakPolarHBondContact CE-O 3.4Å; M534-V551 HydrophobicContact SD-CG1 4.4Å; M534-G553 WeakPolarHBondContact SD-CA 3.46Å; M534-D555 WeakPolarHBondContact CA-OD2 3.28Å; M534-R557 HydrophobicContact CG-CB 4.44Å; M534-N559 HydrophobicContact CE-CB 3.53Å; M534-N559 WeakPolarHBondContact CE-ND2 3.3Å
535	Q	91.9	Very high	94.2	Very high	116 Å²	116	49.5 Å²	49.5	54%	0.542	23%	0.231	S	C	.	.	S	Bend	trans	-70.9	-45.5	174.3	-64.7	-61.3	-13.6	0	0	111	R514 D555	R514-Q535 WeakPolarHBondContact CG-O 3.47Å; Q535-D555 PolarHBondContact N-OD2 3.35Å
536	R	94.3	Very high	94	Very high	108 Å²	108	43.8 Å²	43.8	41%	0.408	21%	0.205	S	C	.	.			trans	-140.4	119.6	-178.2	-165.6	174.3	-178.5	170.4	0.2	111.7	E513 G553 Y554	E513-R536 HydrophobicContact CG-CB 4.21Å; E513-R536 HydrophobicContact CG-CG 3.77Å; E513-R536 CarbonylContact O-C 3.58Å; E513-R536 VanDerWaalsContact O-CA 3.29Å; E513-R536 WeakPolarHBondContact O-CA 3.5Å; R536-G553 VanDerWaalsContact O-CA 3.32Å; R536-G553 WeakPolarHBondContact O-CA 3.43Å; R536-Y554 HydrophobicContact CB-CD2 3.76Å; R536-Y554 HydrophobicContact CB-CG 4.47Å; R536-Y554 HydrophobicContact CG-CD2 3.47Å; R536-Y554 VanDerWaalsContact CG-CD2 3.47Å; R536-Y554 HydrophobicContact CG-CE2 3.8Å; R536-Y554 HydrophobicContact CG-CG 4.47Å; R536-Y554 WeakPolarHBondContact O-CD2 3.18Å; R536-Y554 PolarHBondContact O-N 2.83Å
537	I	96.5	Very high	93.9	Very high	0 Å²	0	41.5 Å²	41.5	0%	0	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	132.9	171.7	-62.9	175.2	0	0	0	108.9	Q497 A511 T512 E513 V516 T532 M534 V551	Q497-I537 WeakPolarHBondContact CG-O 3.35Å; A511-I537 HydrophobicContact CB-CD1 4.4Å; A511-I537 HydrophobicContact CB-CG2 3.89Å; T512-I537 WeakPolarHBondContact O-CD1 3.4Å; E513-I537 WeakPolarHBondContact O-CG1 3.26Å; E513-I537 PolarHBondContact O-N 3Å; V516-I537 HydrophobicContact CG2-CD1 3.89Å; T532-I537 HydrophobicContact CG2-CD1 3.72Å; T532-I537 HydrophobicContact CG2-CG1 4.36Å; M534-I537 HydrophobicContact SD-CG1 4.45Å; I537-V551 HydrophobicContact CB-CG1 4.4Å; I537-V551 HydrophobicContact CD1-CG1 4.02Å; I537-V551 HydrophobicContact CG1-CG1 3.99Å; I537-V551 HydrophobicContact CG2-CG1 3.61Å
538	S	94.5	Very high	93.9	Very high	2 Å²	2	38.3 Å²	38.3	1%	0.014	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	-56.9	173.7	47.9	0	0	0	0	110.8	R498 G552 I580	R498-S538 WeakPolarHBondContact CG-O 3.26Å; S538-G552 PolarHBondContact N-O 3.28Å; S538-G552 VanDerWaalsContact OG-C 3.23Å; S538-G552 PolarHBondContact OG-O 3.05Å; S538-G552 VanDerWaalsContact OG-O 3.13Å; S538-I580 WeakPolarHBondContact CB-O 3.31Å; S538-I580 PolarHBondContact OG-O 3.27Å
539	D	95.3	Very high	94	Very high	13 Å²	13	35.1 Å²	35.1	7%	0.07	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	163.1	-174.2	-162.7	29.8	0	0	0	114.1	R498 G552 R581 S582 V583	R498-D539 IonicContact NE-OD1 3.55Å; D539-G552 PolarHBondContact O-N 3Å; D539-R581 WeakPolarHBondContact CB-O 3.43Å; D539-S582 WeakPolarHBondContact OD2-CA 3.39Å; D539-V583 PolarHBondContact OD2-N 2.79Å
540	M	96.1	Very high	94.1	Very high	3 Å²	3	32.4 Å²	32.4	2%	0.015	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	151.2	174.9	66.3	166.9	77.3	0	0	111	L500 F509 A511 V516 V550 V551	L500-M540 HydrophobicContact CB-SD 4.37Å; L500-M540 HydrophobicContact CD1-CG 3.71Å; L500-M540 VanDerWaalsContact CD1-O 3.3Å; L500-M540 WeakPolarHBondContact CD1-O 3.45Å; L500-M540 HydrophobicContact CD1-SD 4.12Å; L500-M540 HydrophobicContact CG-CG 4.01Å; L500-M540 HydrophobicContact CG-SD 4.2Å; F509-M540 HydrophobicContact CB-SD 3.84Å; A511-M540 VanDerWaalsContact CA-CE 3.47Å; A511-M540 HydrophobicContact CB-CE 3.03Å; V516-M540 HydrophobicContact CB-CE 4.4Å; V516-M540 HydrophobicContact CG1-CE 3.8Å; V516-M540 HydrophobicContact CG1-SD 4.39Å; V516-M540 HydrophobicContact CG2-CE 3.78Å; M540-V550 CarbonylContact C-O 3.59Å; M540-V550 VanDerWaalsContact CA-O 3.25Å; M540-V550 WeakPolarHBondContact CA-O 3.42Å; M540-V551 HydrophobicContact CB-CG2 4.3Å
541	A	96.6	Very high	94.1	Very high	8 Å²	8	32.4 Å²	32.4	7%	0.066	15%	0.151	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	143.6	171.9	0	0	0	0	0	110.3	V549 V550 V583 F585	A541-V549 WeakPolarHBondContact O-CA 3.22Å; A541-V550 PolarHBondContact N-O 3.27Å; A541-V550 PolarHBondContact O-N 2.96Å; A541-V583 HydrophobicContact CB-CB 4.35Å; A541-V583 HydrophobicContact CB-CG1 3.96Å; A541-V583 WeakPolarHBondContact CB-O 3.24Å; A541-F585 HydrophobicContact CB-CD2 3.62Å; A541-F585 HydrophobicContact CB-CE2 4.16Å; A541-F585 WeakPolarHBondContact O-CE2 3.17Å
542	L	95.3	Very high	94.2	Very high	22 Å²	22	27.9 Å²	27.9	12%	0.115	13%	0.134	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	137.8	175.9	-63.4	176.7	0	0	0	109.8	L500 F501 F509 V549 F585	L500-L542 HydrophobicContact CB-CD1 4.1Å; L500-L542 HydrophobicContact CB-CG 4.5Å; L500-L542 HydrophobicContact CD1-CD1 4.36Å; L500-L542 HydrophobicContact CD1-CG 3.92Å; F501-L542 WeakPolarHBondContact O-CD1 3.48Å; F509-L542 HydrophobicContact CD1-CD2 3.98Å; F509-L542 HydrophobicContact CD2-CD1 3.76Å; F509-L542 HydrophobicContact CD2-CD2 4.12Å; F509-L542 HydrophobicContact CE1-CD2 3.89Å; F509-L542 HydrophobicContact CE2-CD1 3.97Å; F509-L542 HydrophobicContact CE2-CD2 4.03Å; F509-L542 HydrophobicContact CG-CD1 4.3Å; F509-L542 HydrophobicContact CG-CD2 4.11Å; F509-L542 HydrophobicContact CZ-CD2 3.92Å; L542-V549 HydrophobicContact CD2-CB 4.03Å; L542-V549 HydrophobicContact CD2-CG1 3.85Å; L542-V549 HydrophobicContact CD2-CG2 3.29Å; L542-F585 VanDerWaalsContact O-CD2 3.26Å; L542-F585 WeakPolarHBondContact O-CD2 3.26Å
543	H	95.5	Very high	94.3	Very high	17 Å²	17	27.8 Å²	27.8	8%	0.079	13%	0.133	C	C	.	.			trans	-61.9	144.1	170.4	-176.4	-96.3	0	0	0	109.5	R545 G546 N548 F585	H543-R545 WeakPolarHBondContact ND1-CB 3.49Å; H543-R545 PolarHBondContact ND1-N 3.16Å; H543-R545 PolarHBondContact O-N 3.12Å; H543-G546 WeakPolarHBondContact O-CA 3.33Å; H543-G546 PolarHBondContact O-N 3.15Å; H543-N548 HydrophobicContact CB-CB 3.89Å; H543-N548 WeakPolarHBondContact CB-O 3.17Å; H543-N548 PolarHBondContact N-O 3.33Å; H543-F585 HydrophobicContact CB-CE1 4.38Å; H543-F585 HydrophobicContact CB-CE2 4.34Å; H543-F585 HydrophobicContact CB-CZ 4.18Å; H543-F585 AromaticContact CD2-CE1 3.93Å
544	P	92.2	Very high	94.4	Very high	48 Å²	48	25.2 Å²	25.2	31%	0.312	12%	0.116	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.9	-29.7	-176.2	-28.3	35.3	0	0	0	114.8	P503 H586 A587	P503-P544 VanDerWaalsContact CG-O 3.3Å; P503-P544 WeakPolarHBondContact CG-O 3.33Å; P544-H586 VanDerWaalsContact CG-O 3.3Å; P544-H586 WeakPolarHBondContact CG-O 3.47Å; P544-A587 WeakPolarHBondContact CG-O 3.39Å
545	R	89.7	Confident	94.4	Very high	96 Å²	96	27.7 Å²	27.7	36%	0.362	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-26.7	173.6	-63.7	-176.4	179.6	152.4	1.9	113.9	H543 V608 N610	H543-R545 WeakPolarHBondContact ND1-CB 3.49Å; H543-R545 PolarHBondContact ND1-N 3.16Å; H543-R545 PolarHBondContact O-N 3.12Å; R545-V608 PolarHBondContact NH1-O 2.54Å; R545-N610 PolarHBondContact NH1-OD1 3.33Å; R545-N610 PolarHBondContact NH2-OD1 2.92Å; R545-N610 VanDerWaalsContact NH2-OD1 3.13Å
546	G	88.9	Confident	94.5	Very high	1 Å²	1	22.9 Å²	22.9	1%	0.01	11%	0.109	C	C	.	.	S	Bend	trans	99.6	-9	176	0	0	0	0	0	116.4	H502 H543 L563	H502-G546 WeakPolarHBondContact NE2-CA 3.39Å; H502-G546 PolarHBondContact NE2-O 2.92Å; H543-G546 WeakPolarHBondContact O-CA 3.33Å; H543-G546 PolarHBondContact O-N 3.15Å; G546-L563 WeakPolarHBondContact O-CD1 3.33Å
547	D	90	Very high	94.6	Very high	39 Å²	39	21.4 Å²	21.4	21%	0.209	10%	0.103	C	C	.	.	S	Bend	trans	-85.7	-19.4	-172.8	-48.2	-46.7	0	0	0	113.9	L563	D547-L563 WeakPolarHBondContact O-CB 3.22Å; D547-L563 WeakPolarHBondContact O-CG 3.47Å; D547-L563 PolarHBondContact O-N 3.08Å
548	N	94.6	Very high	94.6	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.011	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	145.1	-177.6	-74.6	-77.4	0	0	0	111.6	H543 W560 F561 D562 V608	H543-N548 HydrophobicContact CB-CB 3.89Å; H543-N548 WeakPolarHBondContact CB-O 3.17Å; H543-N548 PolarHBondContact N-O 3.33Å; N548-W560 HydrophobicContact CB-CZ2 3.74Å; N548-W560 PolarHBondContact OD1-NE1 3.04Å; N548-F561 CarbonylContact C-O 3.53Å; N548-F561 WeakPolarHBondContact CA-O 3.38Å; N548-F561 PolarHBondContact OD1-O 3.35Å; N548-D562 VanDerWaalsContact OD1-CA 3.27Å; N548-D562 WeakPolarHBondContact OD1-CA 3.45Å; N548-D562 WeakPolarHBondContact OD1-CB 3.42Å; N548-V608 HydrophobicContact CB-CG2 4.37Å; N548-V608 VanDerWaalsContact ND2-CG1 3.27Å; N548-V608 WeakPolarHBondContact ND2-CG1 3.34Å; N548-V608 VanDerWaalsContact ND2-CG2 3.25Å; N548-V608 WeakPolarHBondContact ND2-CG2 3.06Å
549	V	95.9	Very high	94.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	133.8	-179.9	-172.9	0	0	0	0	109.8	F509 A541 L542 V551 F561 L563	F509-V549 HydrophobicContact CD1-CG2 4.39Å; F509-V549 HydrophobicContact CE1-CG2 3.72Å; F509-V549 HydrophobicContact CZ-CG2 4.3Å; A541-V549 WeakPolarHBondContact O-CA 3.22Å; L542-V549 HydrophobicContact CD2-CB 4.03Å; L542-V549 HydrophobicContact CD2-CG1 3.85Å; L542-V549 HydrophobicContact CD2-CG2 3.29Å; V549-V551 HydrophobicContact CG1-CG2 4.04Å; V549-F561 HydrophobicContact CB-CB 4.3Å; V549-F561 PolarHBondContact N-O 3.47Å; V549-F561 PolarHBondContact O-N 3.27Å; V549-L563 HydrophobicContact CG2-CD1 3.9Å; V549-L563 HydrophobicContact CG2-CD2 3.79Å; V549-L563 HydrophobicContact CG2-CG 3.92Å
550	V	97.1	Very high	94.8	Very high	1 Å²	1	21 Å²	21	1%	0.006	10%	0.101	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	133.6	170.5	-178.5	0	0	0	0	108.7	M540 A541 L558 N559 W560 V583 F585	M540-V550 CarbonylContact C-O 3.59Å; M540-V550 VanDerWaalsContact CA-O 3.25Å; M540-V550 WeakPolarHBondContact CA-O 3.42Å; A541-V550 PolarHBondContact N-O 3.27Å; A541-V550 PolarHBondContact O-N 2.96Å; V550-L558 HydrophobicContact CG1-CD1 3.42Å; V550-L558 VanDerWaalsContact CG1-CD1 3.42Å; V550-L558 HydrophobicContact CG1-CD2 4.19Å; V550-L558 HydrophobicContact CG1-CG 3.65Å; V550-N559 WeakPolarHBondContact CA-O 3.45Å; V550-W560 HydrophobicContact CG2-CD2 3.93Å; V550-W560 HydrophobicContact CG2-CE3 3.26Å; V550-W560 HydrophobicContact CG2-CZ3 3.62Å; V550-V583 HydrophobicContact CB-CG1 3.98Å; V550-V583 HydrophobicContact CG1-CG1 3.64Å; V550-F585 HydrophobicContact CB-CE2 3.99Å; V550-F585 HydrophobicContact CB-CZ 4.23Å; V550-F585 HydrophobicContact CG2-CE1 4.42Å; V550-F585 HydrophobicContact CG2-CE2 3.64Å; V550-F585 HydrophobicContact CG2-CZ 3.37Å
551	V	97.3	Very high	94.8	Very high	0 Å²	0	20.9 Å²	20.9	0%	0	10%	0.1	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.9	127.8	-179.5	-176.3	0	0	0	0	108.7	V516 T532 M534 I537 M540 V549 L558 N559 F561	V516-V551 HydrophobicContact CG2-CG2 3.98Å; T532-V551 HydrophobicContact CG2-CG1 4.17Å; M534-V551 HydrophobicContact CE-CB 4.07Å; M534-V551 HydrophobicContact CE-CG1 3.89Å; M534-V551 WeakPolarHBondContact CE-O 3.4Å; M534-V551 HydrophobicContact SD-CG1 4.4Å; I537-V551 HydrophobicContact CB-CG1 4.4Å; I537-V551 HydrophobicContact CD1-CG1 4.02Å; I537-V551 HydrophobicContact CG1-CG1 3.99Å; I537-V551 HydrophobicContact CG2-CG1 3.61Å; M540-V551 HydrophobicContact CB-CG2 4.3Å; V549-V551 HydrophobicContact CG1-CG2 4.04Å; V551-L558 WeakPolarHBondContact O-CA 3.31Å; V551-N559 PolarHBondContact N-O 2.95Å; V551-N559 PolarHBondContact O-N 2.82Å; V551-F561 HydrophobicContact CB-CE2 4.23Å; V551-F561 HydrophobicContact CG2-CD2 3.95Å; V551-F561 HydrophobicContact CG2-CE2 3.86Å
552	G	96.8	Very high	94.7	Very high	0 Å²	0	21.6 Å²	21.6	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	148	170.7	0	0	0	0	0	111.4	S538 D539	S538-G552 PolarHBondContact N-O 3.28Å; S538-G552 VanDerWaalsContact OG-C 3.23Å; S538-G552 PolarHBondContact OG-O 3.05Å; S538-G552 VanDerWaalsContact OG-O 3.13Å; D539-G552 PolarHBondContact O-N 3Å
553	G	95.9	Very high	94.5	Very high	0 Å²	0	21.3 Å²	21.3	0%	0	10%	0.102	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.2	159.5	174.7	0	0	0	0	0	113	M534 R536 D555 A556 R557 I580	M534-G553 WeakPolarHBondContact SD-CA 3.46Å; R536-G553 VanDerWaalsContact O-CA 3.32Å; R536-G553 WeakPolarHBondContact O-CA 3.43Å; G553-D555 PolarHBondContact O-N 3.37Å; G553-A556 PolarHBondContact O-N 3.24Å; G553-R557 PolarHBondContact N-O 2.92Å; G553-I580 PolarHBondContact O-N 3.01Å; G553-I580 VanDerWaalsContact O-N 3.13Å
554	Y	95.2	Very high	94.2	Very high	49 Å²	49	24.8 Å²	24.8	19%	0.192	12%	0.121	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-19.2	171.2	-68.5	-85.8	0	0	0	112.1	R536 A556 C579	R536-Y554 HydrophobicContact CB-CD2 3.76Å; R536-Y554 HydrophobicContact CB-CG 4.47Å; R536-Y554 HydrophobicContact CG-CD2 3.47Å; R536-Y554 VanDerWaalsContact CG-CD2 3.47Å; R536-Y554 HydrophobicContact CG-CE2 3.8Å; R536-Y554 HydrophobicContact CG-CG 4.47Å; R536-Y554 WeakPolarHBondContact O-CD2 3.18Å; R536-Y554 PolarHBondContact O-N 2.83Å; Y554-A556 PolarHBondContact O-N 3.34Å; Y554-C579 HydrophobicContact CD1-CB 3.79Å; Y554-C579 HydrophobicContact CG-CB 4.47Å; Y554-C579 WeakPolarHBondContact O-CA 3.49Å; Y554-C579 PolarHBondContact O-SG 2.99Å
555	D	93.7	Very high	94.1	Very high	57 Å²	57	26.9 Å²	26.9	31%	0.305	13%	0.129	S	C	.	.	T	Hydrogen-bonded Turn	trans	-75.4	17.9	176.6	-53.1	-20.8	0	0	0	114.2	M534 Q535 G553 R557	M534-D555 WeakPolarHBondContact CA-OD2 3.28Å; Q535-D555 PolarHBondContact N-OD2 3.35Å; G553-D555 PolarHBondContact O-N 3.37Å; D555-R557 HydrophobicContact CB-CG 4.3Å; D555-R557 PolarHBondContact O-N 3.33Å
556	A	94.2	Very high	94.2	Very high	14 Å²	14	24.6 Å²	24.6	12%	0.116	13%	0.127	C	C	.	.	S	Bend	trans	57.7	28.2	-173	0	0	0	0	0	114.5	G553 Y554 H576 Y578	G553-A556 PolarHBondContact O-N 3.24Å; Y554-A556 PolarHBondContact O-N 3.34Å; A556-H576 HydrophobicContact CB-CB 4.46Å; A556-Y578 WeakPolarHBondContact CA-O 3.29Å; A556-Y578 WeakPolarHBondContact CB-O 3.45Å
557	R	95.5	Very high	94.5	Very high	77 Å²	77	27.2 Å²	27.2	29%	0.291	14%	0.144	S	C	.	.			trans	-111	131.1	-177.9	-68.5	173.5	-171.4	-179.3	5.6	111.1	N533 M534 G553 D555 R574	N533-R557 PolarHBondContact O-NH1 3.39Å; N533-R557 VanDerWaalsContact O-NH1 3.12Å; M534-R557 HydrophobicContact CG-CB 4.44Å; G553-R557 PolarHBondContact N-O 2.92Å; D555-R557 HydrophobicContact CB-CG 4.3Å; D555-R557 PolarHBondContact O-N 3.33Å; R557-R574 HydrophobicContact CG-CG 4.17Å
558	L	96.7	Very high	94.7	Very high	4 Å²	4	32.1 Å²	32.1	2%	0.021	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	116.2	171.7	-169.3	71.7	0	0	0	108.7	V550 V551 L573 I580 V583 F592 F604	V550-L558 HydrophobicContact CG1-CD1 3.42Å; V550-L558 VanDerWaalsContact CG1-CD1 3.42Å; V550-L558 HydrophobicContact CG1-CD2 4.19Å; V550-L558 HydrophobicContact CG1-CG 3.65Å; V551-L558 WeakPolarHBondContact O-CA 3.31Å; L558-L573 HydrophobicContact CB-CB 4.2Å; L558-L573 HydrophobicContact CD2-CD1 4.26Å; L558-L573 PolarHBondContact N-O 2.84Å; L558-L573 WeakPolarHBondContact O-CB 2.99Å; L558-L573 PolarHBondContact O-N 3.31Å; L558-I580 HydrophobicContact CB-CD1 3.73Å; L558-I580 HydrophobicContact CD1-CD1 4.12Å; L558-V583 HydrophobicContact CD1-CG1 4.23Å; L558-V583 HydrophobicContact CD1-CG2 3.54Å; L558-F592 HydrophobicContact CD2-CE2 3.87Å; L558-F604 HydrophobicContact CD2-CE2 4.08Å; L558-F604 HydrophobicContact CD2-CZ 4.48Å
559	N	96.8	Very high	94.7	Very high	1 Å²	1	32.8 Å²	32.8	1%	0.005	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	127.7	-178.5	-77.7	-3.6	0	0	0	110.4	T532 M534 V550 V551 F561 P569	T532-N559 PolarHBondContact O-ND2 3.29Å; M534-N559 HydrophobicContact CE-CB 3.53Å; M534-N559 WeakPolarHBondContact CE-ND2 3.3Å; V550-N559 WeakPolarHBondContact CA-O 3.45Å; V551-N559 PolarHBondContact N-O 2.95Å; V551-N559 PolarHBondContact O-N 2.82Å; N559-F561 HydrophobicContact CB-CD2 4.29Å; N559-F561 HydrophobicContact CB-CE2 3.71Å; N559-F561 HydrophobicContact CB-CZ 4.4Å; N559-P569 HydrophobicContact CB-CB 3.88Å
560	W	96.8	Very high	94.6	Very high	2 Å²	2	36.8 Å²	36.8	1%	0.008	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.7	124.3	168.5	-173.2	-72.7	0	0	0	109.7	N548 V550 P569 Y570 R571 F585 F592 V608 P616 I618	N548-W560 HydrophobicContact CB-CZ2 3.74Å; N548-W560 PolarHBondContact OD1-NE1 3.04Å; V550-W560 HydrophobicContact CG2-CD2 3.93Å; V550-W560 HydrophobicContact CG2-CE3 3.26Å; V550-W560 HydrophobicContact CG2-CZ3 3.62Å; W560-P569 CarbonylContact O-C 3.57Å; W560-P569 WeakPolarHBondContact O-CA 3.36Å; W560-Y570 AromaticContact CD1-CD1 3.91Å; W560-Y570 PolarHBondContact O-N 3.29Å; W560-R571 HydrophobicContact CB-CB 4.32Å; W560-R571 PolarHBondContact N-O 3.14Å; W560-R571 PolarHBondContact O-N 2.8Å; W560-F585 HydrophobicContact CE3-CZ 4.45Å; W560-F585 AromaticContact CH2-CE1 3.71Å; W560-F585 HydrophobicContact CH2-CE1 3.71Å; W560-F585 AromaticContact CH2-CZ 3.73Å; W560-F585 HydrophobicContact CH2-CZ 3.73Å; W560-F585 AromaticContact CZ3-CE1 3.76Å; W560-F585 HydrophobicContact CZ3-CE1 3.76Å; W560-F585 AromaticContact CZ3-CZ 3.65Å; W560-F585 HydrophobicContact CZ3-CZ 3.65Å; W560-F592 AromaticContact CE3-CE1 3.98Å; W560-F592 HydrophobicContact CE3-CE1 3.98Å; W560-F592 AromaticContact CE3-CZ 3.96Å; W560-F592 HydrophobicContact CE3-CZ 3.96Å; W560-F592 HydrophobicContact CH2-CE1 4.41Å; W560-F592 AromaticContact CZ3-CD1 3.68Å; W560-F592 HydrophobicContact CZ3-CD1 3.68Å; W560-F592 AromaticContact CZ3-CE1 3.42Å; W560-F592 HydrophobicContact CZ3-CE1 3.42Å; W560-F592 VanDerWaalsContact CZ3-CE1 3.42Å; W560-F592 HydrophobicContact CZ3-CG 4.33Å; W560-F592 AromaticContact CZ3-CZ 3.87Å; W560-F592 HydrophobicContact CZ3-CZ 3.87Å; W560-V608 HydrophobicContact CH2-CG2 4.41Å; W560-V608 HydrophobicContact CZ2-CG2 3.95Å; W560-P616 HydrophobicContact CZ2-CB 4.06Å; W560-P616 HydrophobicContact CZ2-CG 4.45Å; W560-I618 HydrophobicContact CB-CD1 3.81Å; W560-I618 HydrophobicContact CD2-CD1 3.47Å; W560-I618 VanDerWaalsContact CD2-CD1 3.47Å; W560-I618 HydrophobicContact CD2-CG1 4.12Å; W560-I618 HydrophobicContact CE3-CD1 3.79Å; W560-I618 HydrophobicContact CE3-CG1 4.09Å; W560-I618 HydrophobicContact CG-CD1 3.47Å; W560-I618 VanDerWaalsContact CG-CD1 3.47Å; W560-I618 HydrophobicContact CZ3-CG1 4.43Å
561	F	96	Very high	94.5	Very high	0 Å²	0	39.9 Å²	39.9	0%	0	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	126.9	172.7	-70.2	-89.9	0	0	0	109.8	L530 T532 N548 V549 V551 N559 T567 P569	L530-F561 HydrophobicContact CB-CD1 4.15Å; L530-F561 HydrophobicContact CB-CE1 3.89Å; L530-F561 HydrophobicContact CB-CZ 4.26Å; L530-F561 HydrophobicContact CD1-CB 4.3Å; L530-F561 HydrophobicContact CD1-CD1 4.2Å; L530-F561 HydrophobicContact CD1-CG 4.1Å; L530-F561 HydrophobicContact CD2-CD1 4.26Å; L530-F561 HydrophobicContact CG-CD1 4.44Å; T532-F561 HydrophobicContact CG2-CE2 3.9Å; T532-F561 HydrophobicContact CG2-CZ 3.74Å; N548-F561 CarbonylContact C-O 3.53Å; N548-F561 WeakPolarHBondContact CA-O 3.38Å; N548-F561 PolarHBondContact OD1-O 3.35Å; V549-F561 HydrophobicContact CB-CB 4.3Å; V549-F561 PolarHBondContact N-O 3.47Å; V549-F561 PolarHBondContact O-N 3.27Å; V551-F561 HydrophobicContact CB-CE2 4.23Å; V551-F561 HydrophobicContact CG2-CD2 3.95Å; V551-F561 HydrophobicContact CG2-CE2 3.86Å; N559-F561 HydrophobicContact CB-CD2 4.29Å; N559-F561 HydrophobicContact CB-CE2 3.71Å; N559-F561 HydrophobicContact CB-CZ 4.4Å; F561-T567 WeakPolarHBondContact CE1-O 3.42Å; F561-P569 HydrophobicContact CD1-CB 4.4Å; F561-P569 HydrophobicContact CE1-CB 4.03Å; F561-P569 HydrophobicContact CE1-CG 4.48Å; F561-P569 VanDerWaalsContact CE1-N 3.3Å; F561-P569 HydrophobicContact CE2-CB 4.32Å; F561-P569 HydrophobicContact CZ-CB 3.99Å; F561-P569 HydrophobicContact CZ-CG 4.43Å
562	D	94	Very high	94.4	Very high	23 Å²	23	45.4 Å²	45.4	12%	0.123	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.3	116	159.9	-177.5	-37.9	0	0	0	106.6	N548 D564 L565 S566	N548-D562 VanDerWaalsContact OD1-CA 3.27Å; N548-D562 WeakPolarHBondContact OD1-CA 3.45Å; N548-D562 WeakPolarHBondContact OD1-CB 3.42Å; D562-D564 PolarHBondContact O-N 2.85Å; D562-D564 PolarHBondContact OD1-N 2.94Å; D562-L565 HydrophobicContact CB-CB 3.84Å; D562-L565 PolarHBondContact OD1-N 2.87Å; D562-L565 VanDerWaalsContact OD1-N 3.1Å; D562-S566 PolarHBondContact O-N 3.33Å; D562-S566 VanDerWaalsContact O-O 3.13Å
563	L	91.9	Very high	94.3	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.089	22%	0.221	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.3	-26.7	-172.2	-66.9	175.9	0	0	0	112	F509 K528 L530 G546 D547 V549	F509-L563 HydrophobicContact CE1-CD1 4.12Å; F509-L563 HydrophobicContact CE1-CD2 4.19Å; F509-L563 HydrophobicContact CZ-CD1 3.75Å; K528-L563 PolarHBondContact NZ-O 2.84Å; L530-L563 HydrophobicContact CD1-CD2 3.75Å; L530-L563 HydrophobicContact CD2-CD2 3.98Å; L530-L563 HydrophobicContact CG-CD2 4.41Å; G546-L563 WeakPolarHBondContact O-CD1 3.33Å; D547-L563 WeakPolarHBondContact O-CB 3.22Å; D547-L563 WeakPolarHBondContact O-CG 3.47Å; D547-L563 PolarHBondContact O-N 3.08Å; V549-L563 HydrophobicContact CG2-CD1 3.9Å; V549-L563 HydrophobicContact CG2-CD2 3.79Å; V549-L563 HydrophobicContact CG2-CG 3.92Å
564	D	89.8	Confident	94.2	Very high	90 Å²	90	53.7 Å²	53.7	48%	0.481	25%	0.251	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-29.9	-175.5	-67	-26.8	0	0	0	112	K528 D562	K528-D564 IonicContact NZ-OD1 3.74Å; K528-D564 PolarHBondContact NZ-OD1 3.11Å; D562-D564 PolarHBondContact O-N 2.85Å; D562-D564 PolarHBondContact OD1-N 2.94Å
565	L	90.3	Very high	94.1	Very high	92 Å²	92	55.4 Å²	55.4	48%	0.482	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-52.2	176.5	-175	65.5	0	0	0	113.4	D562 Y570	D562-L565 HydrophobicContact CB-CB 3.84Å; D562-L565 PolarHBondContact OD1-N 2.87Å; D562-L565 VanDerWaalsContact OD1-N 3.1Å; L565-Y570 HydrophobicContact CD2-CD2 3.51Å; L565-Y570 HydrophobicContact CD2-CE2 4.18Å; L565-Y570 HydrophobicContact CD2-CG 4.26Å
566	S	91.7	Very high	94.2	Very high	47 Å²	47	53.3 Å²	53.3	33%	0.329	25%	0.246	S	C	.	.			trans	-160.1	152.2	-173.3	-165.3	0	0	0	0	114.2	D562 K568	D562-S566 PolarHBondContact O-N 3.33Å; D562-S566 VanDerWaalsContact O-O 3.13Å; S566-K568 PolarHBondContact O-N 3.17Å; S566-K568 PolarHBondContact OG-N 3.18Å; S566-K568 VanDerWaalsContact OG-N 3.15Å
567	T	94.2	Very high	94.1	Very high	57 Å²	57	60.9 Å²	60.9	35%	0.35	28%	0.276	S	S	.	.	S	Bend	trans	-75.3	-9.4	166.4	59	0	0	0	0	113.2	K529 L530 Y531 F561	K529-T567 WeakPolarHBondContact O-CB 3.4Å; L530-T567 WeakPolarHBondContact CA-O 3.4Å; Y531-T567 PolarHBondContact N-O 3.21Å; F561-T567 WeakPolarHBondContact CE1-O 3.42Å
568	K	94.8	Very high	94	Very high	141 Å²	141	64.4 Å²	64.4	61%	0.613	29%	0.29	S	S	*	.	S	Bend	trans	-95.2	154.5	172.4	-66.8	178	-176.3	173.1	0	109.1	S566 Y570	S566-K568 PolarHBondContact O-N 3.17Å; S566-K568 PolarHBondContact OG-N 3.18Å; S566-K568 VanDerWaalsContact OG-N 3.15Å; K568-Y570 PolarHBondContact O-N 3.48Å
569	P	95.1	Very high	94	Very high	17 Å²	17	65.8 Å²	65.8	11%	0.11	30%	0.3	C	S	.	.			trans	-63.9	130.2	180	27	-36.3	0	0	0	110.6	Y531 N559 W560 F561 K572	Y531-P569 WeakPolarHBondContact O-CD 3.35Å; N559-P569 HydrophobicContact CB-CB 3.88Å; W560-P569 CarbonylContact O-C 3.57Å; W560-P569 WeakPolarHBondContact O-CA 3.36Å; F561-P569 HydrophobicContact CD1-CB 4.4Å; F561-P569 HydrophobicContact CE1-CB 4.03Å; F561-P569 HydrophobicContact CE1-CG 4.48Å; F561-P569 VanDerWaalsContact CE1-N 3.3Å; F561-P569 HydrophobicContact CE2-CB 4.32Å; F561-P569 HydrophobicContact CZ-CB 3.99Å; F561-P569 HydrophobicContact CZ-CG 4.43Å; P569-K572 HydrophobicContact CB-CG 4.19Å; P569-K572 HydrophobicContact CG-CD 4.22Å; P569-K572 HydrophobicContact CG-CG 3.83Å
570	Y	94.1	Very high	93.9	Very high	84 Å²	84	65.8 Å²	65.8	33%	0.329	30%	0.3	S	S	.	.	S	Bend	trans	-61.7	-47.5	172.9	166.3	-115.2	0	0	0	110.5	W560 L565 K568 N615 P616 I618	W560-Y570 AromaticContact CD1-CD1 3.91Å; W560-Y570 PolarHBondContact O-N 3.29Å; L565-Y570 HydrophobicContact CD2-CD2 3.51Å; L565-Y570 HydrophobicContact CD2-CE2 4.18Å; L565-Y570 HydrophobicContact CD2-CG 4.26Å; K568-Y570 PolarHBondContact O-N 3.48Å; Y570-N615 HydrophobicContact CE2-CB 4.08Å; Y570-N615 WeakPolarHBondContact OH-CB 3.45Å; Y570-P616 HydrophobicContact CD1-CG 3.88Å; Y570-P616 HydrophobicContact CE1-CG 3.73Å; Y570-P616 PolarHBondContact OH-O 2.71Å; Y570-I618 HydrophobicContact CD1-CD1 4.21Å; Y570-I618 HydrophobicContact CE1-CD1 4.2Å
571	R	94.2	Very high	93.9	Very high	65 Å²	65	68.9 Å²	68.9	25%	0.245	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.2	134.8	177.4	-154.6	169.1	-179.8	179.7	-5.1	111.3	W560 L573 I618	W560-R571 HydrophobicContact CB-CB 4.32Å; W560-R571 PolarHBondContact N-O 3.14Å; W560-R571 PolarHBondContact O-N 2.8Å; R571-L573 HydrophobicContact CG-CD2 3.74Å; R571-I618 HydrophobicContact CB-CD1 4Å; R571-I618 PolarHBondContact NH1-O 2.73Å
572	K	94.7	Very high	93.9	Very high	117 Å²	117	69 Å²	69	51%	0.509	31%	0.313	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	120.7	174.9	-59.2	178.2	-175.8	169.6	0	108.3	P569	P569-K572 HydrophobicContact CB-CG 4.19Å; P569-K572 HydrophobicContact CG-CD 4.22Å; P569-K572 HydrophobicContact CG-CG 3.83Å
573	L	94.7	Very high	94	Very high	8 Å²	8	68.2 Å²	68.2	4%	0.042	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	126.5	-176.6	-51	176.8	0	0	0	109	L558 R571 Y575 F592 F604 I618	L558-L573 HydrophobicContact CB-CB 4.2Å; L558-L573 HydrophobicContact CD2-CD1 4.26Å; L558-L573 PolarHBondContact N-O 2.84Å; L558-L573 WeakPolarHBondContact O-CB 2.99Å; L558-L573 PolarHBondContact O-N 3.31Å; R571-L573 HydrophobicContact CG-CD2 3.74Å; L573-Y575 HydrophobicContact CB-CD2 3.76Å; L573-Y575 HydrophobicContact CB-CE2 3.8Å; L573-Y575 HydrophobicContact CD1-CE2 4.33Å; L573-Y575 HydrophobicContact CD2-CE2 3.95Å; L573-Y575 HydrophobicContact CG-CE2 4.23Å; L573-F592 HydrophobicContact CD1-CZ 4.36Å; L573-F604 HydrophobicContact CD1-CE1 4.39Å; L573-I618 HydrophobicContact CD1-CG2 4.03Å
574	R	94.3	Very high	94.3	Very high	166 Å²	166	68 Å²	68	63%	0.626	31%	0.309	S	S	*	.			trans	-123.2	72.5	179.3	-68.1	-173.6	-172.4	175.1	3.5	109.4	R557	R557-R574 HydrophobicContact CG-CG 4.17Å
575	Y	93.8	Very high	94.6	Very high	85 Å²	85	65 Å²	65	33%	0.333	29%	0.292	S	S	.	.			trans	-94.2	-45.3	-178.6	-74.2	-64.2	0	0	0	110.3	L573 R602 F604 P620	L573-Y575 HydrophobicContact CB-CD2 3.76Å; L573-Y575 HydrophobicContact CB-CE2 3.8Å; L573-Y575 HydrophobicContact CD1-CE2 4.33Å; L573-Y575 HydrophobicContact CD2-CE2 3.95Å; L573-Y575 HydrophobicContact CG-CE2 4.23Å; Y575-R602 VanDerWaalsContact CB-NH1 3.28Å; Y575-R602 PolarHBondContact O-NH1 2.99Å; Y575-R602 PolarHBondContact O-NH2 2.99Å; Y575-F604 AromaticContact CD2-CE1 3.37Å; Y575-F604 HydrophobicContact CD2-CE1 3.37Å; Y575-F604 AromaticContact CD2-CZ 3.53Å; Y575-F604 HydrophobicContact CD2-CZ 3.53Å; Y575-F604 HydrophobicContact CE2-CD1 4.49Å; Y575-F604 AromaticContact CE2-CE1 3.49Å; Y575-F604 HydrophobicContact CE2-CE1 3.49Å; Y575-F604 VanDerWaalsContact CE2-CE1 3.49Å; Y575-F604 HydrophobicContact CE2-CZ 4.14Å; Y575-F604 HydrophobicContact CG-CE1 4.21Å; Y575-F604 HydrophobicContact CG-CZ 4.16Å; Y575-P620 HydrophobicContact CE1-CB 4.46Å; Y575-P620 HydrophobicContact CE2-CB 4.49Å
576	H	94.8	Very high	94.9	Very high	13 Å²	13	60.7 Å²	60.7	6%	0.06	27%	0.269	C	S	.	.			trans	-69.4	151.1	-178	-69.8	-64.9	0	0	0	113.7	A556 I580 S594 S596 D598 R602	A556-H576 HydrophobicContact CB-CB 4.46Å; H576-I580 HydrophobicContact CB-CG1 4.29Å; H576-S594 PolarHBondContact NE2-O 3.26Å; H576-S594 PolarHBondContact NE2-OG 3.32Å; H576-S596 WeakPolarHBondContact ND1-CB 3.47Å; H576-D598 IonicContact ND1-OD1 3.29Å; H576-D598 IonicContact ND1-OD2 3.55Å; H576-R602 VanDerWaalsContact CE1-CD 3.49Å; H576-R602 WeakPolarHBondContact CE1-CD 3.29Å; H576-R602 VanDerWaalsContact CE1-CG 3.49Å; H576-R602 WeakPolarHBondContact CE1-CG 3.49Å; H576-R602 PolarHBondContact CE1-NE 2.91Å; H576-R602 PolarHBondContact ND1-NE 3.34Å; H576-R602 VanDerWaalsContact ND1-NE 3.11Å
577	K	91.9	Very high	95	Very high	173 Å²	173	61.5 Å²	61.5	75%	0.752	28%	0.279	S	S	*	.	S	Bend	trans	-86.2	-34.1	173.6	-69	-175.1	178.8	-176.8	0	112.2
578	Y	94.3	Very high	94.9	Very high	150 Å²	150	67.2 Å²	67.2	59%	0.588	29%	0.294	S	S	*	.	S	Bend	trans	-119.4	-174.8	-177.1	-62.2	-63.8	0	0	0	111.7	A556 I580 S596 D598	A556-Y578 WeakPolarHBondContact CA-O 3.29Å; A556-Y578 WeakPolarHBondContact CB-O 3.45Å; Y578-I580 PolarHBondContact O-N 3.04Å; Y578-S596 PolarHBondContact O-OG 3.11Å; Y578-S596 VanDerWaalsContact O-OG 3.08Å; Y578-D598 HydrophobicContact CD2-CB 3.59Å; Y578-D598 HydrophobicContact CE2-CB 4.33Å
579	C	95.2	Very high	94.9	Very high	34 Å²	34	64.4 Å²	64.4	23%	0.23	28%	0.28	C	S	.	.			trans	-52.5	138	-177.7	-54.8	0	0	0	0	111.8	Y554 S596 D597	Y554-C579 HydrophobicContact CD1-CB 3.79Å; Y554-C579 HydrophobicContact CG-CB 4.47Å; Y554-C579 WeakPolarHBondContact O-CA 3.49Å; Y554-C579 PolarHBondContact O-SG 2.99Å; C579-S596 WeakPolarHBondContact O-CA 3.48Å; C579-S596 VanDerWaalsContact O-CB 3.28Å; C579-S596 WeakPolarHBondContact O-CB 3.37Å; C579-S596 PolarHBondContact O-OG 3.44Å; C579-D597 WeakPolarHBondContact CB-OD2 3.47Å; C579-D597 PolarHBondContact O-N 2.65Å
580	I	96.5	Very high	94.9	Very high	1 Å²	1	65.5 Å²	65.5	1%	0.005	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.6	130.6	168.7	-59.4	-178.3	0	0	0	107.3	S538 G553 L558 H576 Y578 V583 C595	S538-I580 WeakPolarHBondContact CB-O 3.31Å; S538-I580 PolarHBondContact OG-O 3.27Å; G553-I580 PolarHBondContact O-N 3.01Å; G553-I580 VanDerWaalsContact O-N 3.13Å; L558-I580 HydrophobicContact CB-CD1 3.73Å; L558-I580 HydrophobicContact CD1-CD1 4.12Å; H576-I580 HydrophobicContact CB-CG1 4.29Å; Y578-I580 PolarHBondContact O-N 3.04Å; I580-V583 HydrophobicContact CG2-CG2 3.94Å; I580-C595 CarbonylContact C-O 3.59Å; I580-C595 VanDerWaalsContact CA-O 3.25Å; I580-C595 WeakPolarHBondContact CA-O 3.5Å; I580-C595 WeakPolarHBondContact CG2-O 3.42Å
581	R	95.3	Very high	95.1	Very high	67 Å²	67	61.6 Å²	61.6	25%	0.253	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	-42.9	-177.1	-69.8	-70.7	179.7	163.1	-3.1	113.6	D539 C595 D597 T635 L636	D539-R581 WeakPolarHBondContact CB-O 3.43Å; R581-C595 PolarHBondContact N-O 2.76Å; R581-D597 WeakPolarHBondContact CG-OD1 3.32Å; R581-D597 IonicContact CZ-OD1 3.15Å; R581-D597 IonicContact CZ-OD2 3.7Å; R581-D597 VanDerWaalsContact CZ-OD2 3.29Å; R581-D597 VanDerWaalsContact NE-CG 3.27Å; R581-D597 IonicContact NE-OD1 2.93Å; R581-D597 PolarHBondContact NE-OD1 3.12Å; R581-D597 IonicContact NE-OD2 3.91Å; R581-D597 PolarHBondContact NE-OD2 3.16Å; R581-D597 IonicContact NH2-OD1 2.79Å; R581-D597 IonicContact NH2-OD2 3.83Å; R581-D597 PolarHBondContact NH2-OD2 2.66Å; R581-T635 WeakPolarHBondContact CB-O 3.43Å; R581-T635 WeakPolarHBondContact CG-O 3.04Å; R581-L636 VanDerWaalsContact CB-O 3.26Å; R581-L636 WeakPolarHBondContact CB-O 3.31Å; R581-L636 HydrophobicContact CG-CD2 4.26Å
582	S	96.3	Very high	95.2	Very high	2 Å²	2	58.5 Å²	58.5	1%	0.014	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.3	149.8	-176.6	178.6	0	0	0	0	110.6	D539 S594 C595 D637 C638	D539-S582 WeakPolarHBondContact OD2-CA 3.39Å; S582-S594 WeakPolarHBondContact O-CA 3.27Å; S582-C595 PolarHBondContact O-N 3.47Å; S582-D637 VanDerWaalsContact CB-OD1 3.31Å; S582-D637 WeakPolarHBondContact CB-OD1 3.33Å; S582-D637 PolarHBondContact OG-OD1 2.97Å; S582-C638 PolarHBondContact OG-N 2.73Å
583	V	96.9	Very high	95.3	Very high	6 Å²	6	52.9 Å²	52.9	4%	0.036	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	135.8	175.9	-179.1	0	0	0	0	107.7	D539 A541 V550 L558 I580 A593	D539-V583 PolarHBondContact OD2-N 2.79Å; A541-V583 HydrophobicContact CB-CB 4.35Å; A541-V583 HydrophobicContact CB-CG1 3.96Å; A541-V583 WeakPolarHBondContact CB-O 3.24Å; V550-V583 HydrophobicContact CB-CG1 3.98Å; V550-V583 HydrophobicContact CG1-CG1 3.64Å; L558-V583 HydrophobicContact CD1-CG1 4.23Å; L558-V583 HydrophobicContact CD1-CG2 3.54Å; I580-V583 HydrophobicContact CG2-CG2 3.94Å; V583-A593 WeakPolarHBondContact CA-O 3.49Å; V583-A593 WeakPolarHBondContact CG1-O 3.36Å
584	A	97	Very high	95.5	Very high	12 Å²	12	52.5 Å²	52.5	10%	0.099	23%	0.234	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	146.5	178.5	0	0	0	0	0	111.8	F592 A593 C638 F640	A584-F592 CarbonylContact O-C 3.57Å; A584-F592 WeakPolarHBondContact O-CA 3.33Å; A584-F592 VanDerWaalsContact O-CB 3.31Å; A584-F592 WeakPolarHBondContact O-CB 3.17Å; A584-A593 PolarHBondContact N-O 2.73Å; A584-A593 PolarHBondContact O-N 3.19Å; A584-C638 WeakPolarHBondContact CB-O 3.4Å; A584-F640 HydrophobicContact CB-CD2 3.97Å; A584-F640 HydrophobicContact CB-CE2 4.27Å; A584-F640 WeakPolarHBondContact O-CE2 3.49Å
585	F	97	Very high	95.5	Very high	28 Å²	28	44.6 Å²	44.6	12%	0.123	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	145.5	167	-86.3	-75.6	0	0	0	109.9	A541 L542 H543 V550 W560 F592	A541-F585 HydrophobicContact CB-CD2 3.62Å; A541-F585 HydrophobicContact CB-CE2 4.16Å; A541-F585 WeakPolarHBondContact O-CE2 3.17Å; L542-F585 VanDerWaalsContact O-CD2 3.26Å; L542-F585 WeakPolarHBondContact O-CD2 3.26Å; H543-F585 HydrophobicContact CB-CE1 4.38Å; H543-F585 HydrophobicContact CB-CE2 4.34Å; H543-F585 HydrophobicContact CB-CZ 4.18Å; H543-F585 AromaticContact CD2-CE1 3.93Å; V550-F585 HydrophobicContact CB-CE2 3.99Å; V550-F585 HydrophobicContact CB-CZ 4.23Å; V550-F585 HydrophobicContact CG2-CE1 4.42Å; V550-F585 HydrophobicContact CG2-CE2 3.64Å; V550-F585 HydrophobicContact CG2-CZ 3.37Å; W560-F585 HydrophobicContact CE3-CZ 4.45Å; W560-F585 AromaticContact CH2-CE1 3.71Å; W560-F585 HydrophobicContact CH2-CE1 3.71Å; W560-F585 AromaticContact CH2-CZ 3.73Å; W560-F585 HydrophobicContact CH2-CZ 3.73Å; W560-F585 AromaticContact CZ3-CE1 3.76Å; W560-F585 HydrophobicContact CZ3-CE1 3.76Å; W560-F585 AromaticContact CZ3-CZ 3.65Å; W560-F585 HydrophobicContact CZ3-CZ 3.65Å; F585-F592 HydrophobicContact CD1-CB 3.58Å; F585-F592 HydrophobicContact CD1-CG 4.48Å; F585-F592 HydrophobicContact CE1-CB 3.7Å; F585-F592 HydrophobicContact CE1-CD1 4.18Å; F585-F592 HydrophobicContact CE1-CG 4.13Å; F585-F592 HydrophobicContact CG-CB 4.19Å; F585-F592 HydrophobicContact CZ-CB 4.42Å
586	H	97.1	Very high	95.7	Very high	2 Å²	2	40.6 Å²	40.6	1%	0.009	19%	0.188	C	C	.	.			trans	-78.3	140.9	167.6	-173.1	-66.4	0	0	0	109.8	P544 R588 Y589 L591 F640 H641 Q644	P544-H586 VanDerWaalsContact CG-O 3.3Å; P544-H586 WeakPolarHBondContact CG-O 3.47Å; H586-R588 PolarHBondContact CE1-N 2.95Å; H586-R588 PolarHBondContact ND1-N 3.14Å; H586-Y589 WeakPolarHBondContact CB-O 3.23Å; H586-Y589 AromaticContact CE1-CD2 3.37Å; H586-Y589 WeakPolarHBondContact CE1-CD2 3.33Å; H586-Y589 PolarHBondContact CE1-N 3Å; H586-Y589 AromaticContact ND1-CD2 3.87Å; H586-Y589 PolarHBondContact ND1-N 3.34Å; H586-Y589 AromaticContact NE2-CD2 3.47Å; H586-Y589 WeakPolarHBondContact NE2-CD2 3.5Å; H586-L591 HydrophobicContact CB-CB 3.94Å; H586-L591 PolarHBondContact N-O 3.4Å; H586-F640 HydrophobicContact CB-CB 4.16Å; H586-F640 HydrophobicContact CB-CD1 4.02Å; H586-F640 HydrophobicContact CB-CD2 4.04Å; H586-F640 HydrophobicContact CB-CE1 4.39Å; H586-F640 HydrophobicContact CB-CE2 4.41Å; H586-F640 HydrophobicContact CB-CG 3.81Å; H586-F640 AromaticContact CD2-CD1 3.66Å; H586-F640 AromaticContact CD2-CG 3.91Å; H586-H641 PolarHBondContact NE2-O 2.87Å; H586-H641 VanDerWaalsContact NE2-O 3.12Å; H586-Q644 PolarHBondContact NE2-O 3.48Å
587	A	92.7	Very high	95.7	Very high	63 Å²	63	40.4 Å²	40.4	52%	0.521	19%	0.188	S	C	.	.	S	Bend	trans	-69.5	-38.2	-175.2	0	0	0	0	0	114	P544	P544-A587 WeakPolarHBondContact CG-O 3.39Å
588	R	92.4	Very high	95.7	Very high	177 Å²	177	33.8 Å²	33.8	67%	0.668	16%	0.161	S	C	*	.	S	Bend	trans	-107.7	-55.2	-177.8	-60.4	-176.2	170.9	-158.6	-4.1	115.5	H586 Y643	H586-R588 PolarHBondContact CE1-N 2.95Å; H586-R588 PolarHBondContact ND1-N 3.14Å; R588-Y643 VanDerWaalsContact NH2-CE1 3.27Å
589	Y	95	Very high	95.7	Very high	83 Å²	83	26.9 Å²	26.9	33%	0.325	14%	0.135	S	C	.	.	S	Bend	trans	-71.5	148	176.4	-63	-72.1	0	0	0	111.7	P311 H586 L591 Y643 P645	P311-Y589 HydrophobicContact CG-CD1 4.3Å; P311-Y589 HydrophobicContact CG-CE1 3.9Å; H586-Y589 WeakPolarHBondContact CB-O 3.23Å; H586-Y589 AromaticContact CE1-CD2 3.37Å; H586-Y589 WeakPolarHBondContact CE1-CD2 3.33Å; H586-Y589 PolarHBondContact CE1-N 3Å; H586-Y589 AromaticContact ND1-CD2 3.87Å; H586-Y589 PolarHBondContact ND1-N 3.34Å; H586-Y589 AromaticContact NE2-CD2 3.47Å; H586-Y589 WeakPolarHBondContact NE2-CD2 3.5Å; Y589-L591 PolarHBondContact O-N 3.28Å; Y589-Y643 WeakPolarHBondContact CE2-O 3.17Å; Y589-P645 HydrophobicContact CD2-CB 3.89Å; Y589-P645 HydrophobicContact CE2-CB 4.04Å; Y589-P645 HydrophobicContact CE2-CG 4.21Å
590	P	95.3	Very high	95.6	Very high	39 Å²	39	25.5 Å²	25.5	25%	0.253	13%	0.126	S	C	.	.	S	Bend	trans	-75.2	56.9	175.8	33.6	-38.2	0	0	0	111.4	H605 G606 M607	P590-H605 WeakPolarHBondContact CG-CE1 3.3Å; P590-H605 CarbonylContact O-C 3.4Å; P590-H605 WeakPolarHBondContact O-CA 3.24Å; P590-H605 PolarHBondContact O-ND1 2.9Å; P590-G606 PolarHBondContact O-N 2.96Å; P590-M607 HydrophobicContact CB-SD 3.91Å; P590-M607 HydrophobicContact CG-SD 4.17Å
591	L	97.2	Very high	95.6	Very high	2 Å²	2	25.6 Å²	25.6	1%	0.01	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	146.1	-178.5	-60.8	175.4	0	0	0	110.4	F312 H586 Y589 F604 L621 F640 P645	F312-L591 HydrophobicContact CB-CD1 4.2Å; F312-L591 HydrophobicContact CB-CD2 4.03Å; H586-L591 HydrophobicContact CB-CB 3.94Å; H586-L591 PolarHBondContact N-O 3.4Å; Y589-L591 PolarHBondContact O-N 3.28Å; L591-F604 WeakPolarHBondContact CA-O 3.29Å; L591-L621 HydrophobicContact CD2-CD1 3.65Å; L591-F640 HydrophobicContact CB-CE1 4.28Å; L591-F640 HydrophobicContact CB-CZ 4.17Å; L591-P645 HydrophobicContact CD1-CB 4.02Å
592	F	97.3	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	155	166.1	68.9	-84.5	0	0	0	110.4	L558 W560 L573 A584 F585 F604 I618	L558-F592 HydrophobicContact CD2-CE2 3.87Å; W560-F592 AromaticContact CE3-CE1 3.98Å; W560-F592 HydrophobicContact CE3-CE1 3.98Å; W560-F592 AromaticContact CE3-CZ 3.96Å; W560-F592 HydrophobicContact CE3-CZ 3.96Å; W560-F592 HydrophobicContact CH2-CE1 4.41Å; W560-F592 AromaticContact CZ3-CD1 3.68Å; W560-F592 HydrophobicContact CZ3-CD1 3.68Å; W560-F592 AromaticContact CZ3-CE1 3.42Å; W560-F592 HydrophobicContact CZ3-CE1 3.42Å; W560-F592 VanDerWaalsContact CZ3-CE1 3.42Å; W560-F592 HydrophobicContact CZ3-CG 4.33Å; W560-F592 AromaticContact CZ3-CZ 3.87Å; W560-F592 HydrophobicContact CZ3-CZ 3.87Å; L573-F592 HydrophobicContact CD1-CZ 4.36Å; A584-F592 CarbonylContact O-C 3.57Å; A584-F592 WeakPolarHBondContact O-CA 3.33Å; A584-F592 VanDerWaalsContact O-CB 3.31Å; A584-F592 WeakPolarHBondContact O-CB 3.17Å; F585-F592 HydrophobicContact CD1-CB 3.58Å; F585-F592 HydrophobicContact CD1-CG 4.48Å; F585-F592 HydrophobicContact CE1-CB 3.7Å; F585-F592 HydrophobicContact CE1-CD1 4.18Å; F585-F592 HydrophobicContact CE1-CG 4.13Å; F585-F592 HydrophobicContact CG-CB 4.19Å; F585-F592 HydrophobicContact CZ-CB 4.42Å; F592-F604 HydrophobicContact CD1-CB 3.67Å; F592-F604 HydrophobicContact CD2-CB 3.92Å; F592-F604 AromaticContact CD2-CD2 3.85Å; F592-F604 HydrophobicContact CD2-CD2 3.85Å; F592-F604 HydrophobicContact CD2-CG 4.17Å; F592-F604 HydrophobicContact CE1-CB 3.22Å; F592-F604 HydrophobicContact CE1-CG 4.1Å; F592-F604 HydrophobicContact CE2-CB 3.49Å; F592-F604 VanDerWaalsContact CE2-CB 3.49Å; F592-F604 HydrophobicContact CE2-CD1 4.35Å; F592-F604 AromaticContact CE2-CD2 3.43Å; F592-F604 HydrophobicContact CE2-CD2 3.43Å; F592-F604 VanDerWaalsContact CE2-CD2 3.43Å; F592-F604 HydrophobicContact CE2-CE2 4.26Å; F592-F604 AromaticContact CE2-CG 3.5Å; F592-F604 HydrophobicContact CE2-CG 3.5Å; F592-F604 VanDerWaalsContact CE2-CG 3.5Å; F592-F604 HydrophobicContact CG-CB 4.01Å; F592-F604 HydrophobicContact CZ-CB 3.13Å; F592-F604 HydrophobicContact CZ-CD1 4.12Å; F592-F604 AromaticContact CZ-CD2 3.95Å; F592-F604 HydrophobicContact CZ-CD2 3.95Å; F592-F604 AromaticContact CZ-CG 3.48Å; F592-F604 HydrophobicContact CZ-CG 3.48Å; F592-F604 VanDerWaalsContact CZ-CG 3.48Å; F592-F604 PolarHBondContact N-O 3.4Å; F592-F604 PolarHBondContact O-N 3.18Å; F592-I618 HydrophobicContact CE1-CG2 4.08Å; F592-I618 HydrophobicContact CZ-CG2 3.82Å
593	A	97.4	Very high	95.7	Very high	0 Å²	0	24.1 Å²	24.1	0%	0	12%	0.12	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.6	155	-178.4	0	0	0	0	0	110.7	V583 A584 R602 F640 L647	V583-A593 WeakPolarHBondContact CA-O 3.49Å; V583-A593 WeakPolarHBondContact CG1-O 3.36Å; A584-A593 PolarHBondContact N-O 2.73Å; A584-A593 PolarHBondContact O-N 3.19Å; A593-R602 CarbonylContact C-O 3.57Å; A593-R602 VanDerWaalsContact CA-O 3.23Å; A593-R602 WeakPolarHBondContact CA-O 3.17Å; A593-F640 HydrophobicContact CB-CE2 3.62Å; A593-F640 HydrophobicContact CB-CZ 3.6Å; A593-L647 HydrophobicContact CB-CD1 3.79Å; A593-L647 HydrophobicContact CB-CD2 3.81Å; A593-L647 HydrophobicContact CB-CG 4.48Å
594	S	97	Very high	95.7	Very high	0 Å²	0	23.9 Å²	23.9	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	135.6	170.8	58.2	0	0	0	0	109.9	H576 S582 A601 R602	H576-S594 PolarHBondContact NE2-O 3.26Å; H576-S594 PolarHBondContact NE2-OG 3.32Å; S582-S594 WeakPolarHBondContact O-CA 3.27Å; S594-A601 CarbonylContact O-C 3.6Å; S594-A601 WeakPolarHBondContact O-CA 3.22Å; S594-R602 PolarHBondContact N-O 3.43Å; S594-R602 PolarHBondContact O-N 3.35Å
595	C	96.1	Very high	95.7	Very high	0 Å²	0	24.3 Å²	24.3	0%	0	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	143.1	179	-87.8	0	0	0	0	111.3	I580 R581 S582 T635 C638	I580-C595 CarbonylContact C-O 3.59Å; I580-C595 VanDerWaalsContact CA-O 3.25Å; I580-C595 WeakPolarHBondContact CA-O 3.5Å; I580-C595 WeakPolarHBondContact CG2-O 3.42Å; R581-C595 PolarHBondContact N-O 2.76Å; S582-C595 PolarHBondContact O-N 3.47Å; C595-T635 WeakPolarHBondContact CA-OG1 3.2Å; C595-T635 VanDerWaalsContact CB-OG1 3.23Å; C595-T635 WeakPolarHBondContact CB-OG1 3.26Å; C595-T635 PolarHBondContact SG-OG1 3.24Å; C595-C638 HydrophobicContact CB-CB 4.4Å; C595-C638 WeakPolarHBondContact SG-CB 3.47Å
596	S	96.3	Very high	95.6	Very high	0 Å²	0	23 Å²	23	0%	0	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	159	179.5	-179.3	0	0	0	0	113.2	H576 Y578 C579 D598 G599 S600 T635	H576-S596 WeakPolarHBondContact ND1-CB 3.47Å; Y578-S596 PolarHBondContact O-OG 3.11Å; Y578-S596 VanDerWaalsContact O-OG 3.08Å; C579-S596 WeakPolarHBondContact O-CA 3.48Å; C579-S596 VanDerWaalsContact O-CB 3.28Å; C579-S596 WeakPolarHBondContact O-CB 3.37Å; C579-S596 PolarHBondContact O-OG 3.44Å; S596-D598 WeakPolarHBondContact CB-OD1 3.35Å; S596-D598 PolarHBondContact O-N 3.45Å; S596-D598 VanDerWaalsContact O-N 3.16Å; S596-D598 PolarHBondContact OG-N 3.15Å; S596-G599 PolarHBondContact O-N 3.03Å; S596-S600 PolarHBondContact N-O 2.71Å; S596-T635 PolarHBondContact N-OG1 3.49Å; S596-T635 PolarHBondContact O-N 3.34Å; S596-T635 PolarHBondContact O-OG1 3.07Å
597	D	94.9	Very high	95.5	Very high	10 Å²	10	26 Å²	26	5%	0.053	13%	0.128	C	C	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-10.8	168.4	-71.2	-17.8	0	0	0	113.3	C579 R581 G599 G634	C579-D597 WeakPolarHBondContact CB-OD2 3.47Å; C579-D597 PolarHBondContact O-N 2.65Å; R581-D597 WeakPolarHBondContact CG-OD1 3.32Å; R581-D597 IonicContact CZ-OD1 3.15Å; R581-D597 IonicContact CZ-OD2 3.7Å; R581-D597 VanDerWaalsContact CZ-OD2 3.29Å; R581-D597 VanDerWaalsContact NE-CG 3.27Å; R581-D597 IonicContact NE-OD1 2.93Å; R581-D597 PolarHBondContact NE-OD1 3.12Å; R581-D597 IonicContact NE-OD2 3.91Å; R581-D597 PolarHBondContact NE-OD2 3.16Å; R581-D597 IonicContact NH2-OD1 2.79Å; R581-D597 IonicContact NH2-OD2 3.83Å; R581-D597 PolarHBondContact NH2-OD2 2.66Å; D597-G599 PolarHBondContact O-N 3.49Å; D597-G634 WeakPolarHBondContact O-CA 3.16Å; D597-G634 PolarHBondContact O-N 3.24Å
598	D	93	Very high	95.4	Very high	34 Å²	34	23.6 Å²	23.6	18%	0.182	11%	0.107	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.4	1.6	171.3	72.4	1.9	0	0	0	114.7	H576 Y578 S596 S600 R602	H576-D598 IonicContact ND1-OD1 3.29Å; H576-D598 IonicContact ND1-OD2 3.55Å; Y578-D598 HydrophobicContact CD2-CB 3.59Å; Y578-D598 HydrophobicContact CE2-CB 4.33Å; S596-D598 WeakPolarHBondContact CB-OD1 3.35Å; S596-D598 PolarHBondContact O-N 3.45Å; S596-D598 VanDerWaalsContact O-N 3.16Å; S596-D598 PolarHBondContact OG-N 3.15Å; D598-S600 PolarHBondContact O-N 3.26Å; D598-S600 WeakPolarHBondContact OD1-CA 3.04Å; D598-S600 WeakPolarHBondContact OD1-CB 3.47Å; D598-S600 PolarHBondContact OD1-N 3.43Å; D598-S600 PolarHBondContact OD1-OG 3.46Å; D598-S600 PolarHBondContact OD2-OG 2.94Å; D598-R602 IonicContact OD2-NH2 3.56Å; D598-R602 PolarHBondContact OD2-NH2 3.02Å
599	G	92.9	Very high	95.4	Very high	5 Å²	5	18.3 Å²	18.3	5%	0.052	9%	0.087	C	C	.	.	S	Bend	trans	77.1	7.7	-177.1	0	0	0	0	0	113.3	S596 D597	S596-G599 PolarHBondContact O-N 3.03Å; D597-G599 PolarHBondContact O-N 3.49Å
600	S	94.8	Very high	94.9	Very high	5 Å²	5	20.4 Å²	20.4	4%	0.035	10%	0.104	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	142.2	179.9	82.4	0	0	0	0	113.2	S596 D598 L624 T635	S596-S600 PolarHBondContact N-O 2.71Å; D598-S600 PolarHBondContact O-N 3.26Å; D598-S600 WeakPolarHBondContact OD1-CA 3.04Å; D598-S600 WeakPolarHBondContact OD1-CB 3.47Å; D598-S600 PolarHBondContact OD1-N 3.43Å; D598-S600 PolarHBondContact OD1-OG 3.46Å; D598-S600 PolarHBondContact OD2-OG 2.94Å; S600-L624 WeakPolarHBondContact CA-O 3.14Å; S600-T635 PolarHBondContact O-OG1 3.23Å
601	A	95.8	Very high	94.5	Very high	2 Å²	2	22.9 Å²	22.9	2%	0.017	12%	0.115	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	133.7	164.4	0	0	0	0	0	108.8	S594 L624 L647 T649	S594-A601 CarbonylContact O-C 3.6Å; S594-A601 WeakPolarHBondContact O-CA 3.22Å; A601-L624 HydrophobicContact CB-CB 4.23Å; A601-L624 PolarHBondContact N-O 3.26Å; A601-L624 WeakPolarHBondContact O-CA 3.49Å; A601-L624 WeakPolarHBondContact O-CB 3.23Å; A601-L624 PolarHBondContact O-N 3.1Å; A601-L647 HydrophobicContact CB-CD2 4.14Å; A601-T649 HydrophobicContact CB-CG2 3.91Å
602	R	96.6	Very high	93.6	Very high	37 Å²	37	31.5 Å²	31.5	14%	0.14	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	127.7	-180	-65.3	-177.7	-165.5	-142.6	8.9	110.1	Y575 H576 A593 S594 D598 F604 V623	Y575-R602 VanDerWaalsContact CB-NH1 3.28Å; Y575-R602 PolarHBondContact O-NH1 2.99Å; Y575-R602 PolarHBondContact O-NH2 2.99Å; H576-R602 VanDerWaalsContact CE1-CD 3.49Å; H576-R602 WeakPolarHBondContact CE1-CD 3.29Å; H576-R602 VanDerWaalsContact CE1-CG 3.49Å; H576-R602 WeakPolarHBondContact CE1-CG 3.49Å; H576-R602 PolarHBondContact CE1-NE 2.91Å; H576-R602 PolarHBondContact ND1-NE 3.34Å; H576-R602 VanDerWaalsContact ND1-NE 3.11Å; A593-R602 CarbonylContact C-O 3.57Å; A593-R602 VanDerWaalsContact CA-O 3.23Å; A593-R602 WeakPolarHBondContact CA-O 3.17Å; S594-R602 PolarHBondContact N-O 3.43Å; S594-R602 PolarHBondContact O-N 3.35Å; D598-R602 IonicContact OD2-NH2 3.56Å; D598-R602 PolarHBondContact OD2-NH2 3.02Å; R602-F604 HydrophobicContact CB-CE2 3.62Å; R602-F604 HydrophobicContact CB-CZ 3.89Å; R602-F604 WeakPolarHBondContact O-CD2 3.4Å; R602-F604 WeakPolarHBondContact O-CE2 3.47Å; R602-V623 HydrophobicContact CG-CG1 4.26Å; R602-V623 HydrophobicContact CG-CG2 4.25Å
603	V	97.4	Very high	93.1	Very high	1 Å²	1	38.9 Å²	38.9	1%	0.006	19%	0.192	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	136.3	-178.9	-174.4	0	0	0	0	109.3	F312 P313 L621 K622 L624 L647	F312-V603 HydrophobicContact CB-CG1 4.33Å; P313-V603 HydrophobicContact CG-CG1 4.44Å; P313-V603 HydrophobicContact CG-CG2 4Å; V603-L621 HydrophobicContact CG1-CD1 4.26Å; V603-L621 WeakPolarHBondContact O-CB 3.48Å; V603-L621 PolarHBondContact O-N 3.35Å; V603-K622 PolarHBondContact N-O 3.29Å; V603-K622 PolarHBondContact O-N 2.8Å; V603-L624 HydrophobicContact CG2-CD1 3.5Å; V603-L624 HydrophobicContact CG2-CG 4Å; V603-L647 HydrophobicContact CG2-CD2 4.32Å
604	F	97.4	Very high	92.8	Very high	2 Å²	2	43.3 Å²	43.3	1%	0.009	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	148.2	-179.3	-59.7	-90.8	0	0	0	109.8	L558 L573 Y575 L591 F592 R602 V619 P620	L558-F604 HydrophobicContact CD2-CE2 4.08Å; L558-F604 HydrophobicContact CD2-CZ 4.48Å; L573-F604 HydrophobicContact CD1-CE1 4.39Å; Y575-F604 AromaticContact CD2-CE1 3.37Å; Y575-F604 HydrophobicContact CD2-CE1 3.37Å; Y575-F604 AromaticContact CD2-CZ 3.53Å; Y575-F604 HydrophobicContact CD2-CZ 3.53Å; Y575-F604 HydrophobicContact CE2-CD1 4.49Å; Y575-F604 AromaticContact CE2-CE1 3.49Å; Y575-F604 HydrophobicContact CE2-CE1 3.49Å; Y575-F604 VanDerWaalsContact CE2-CE1 3.49Å; Y575-F604 HydrophobicContact CE2-CZ 4.14Å; Y575-F604 HydrophobicContact CG-CE1 4.21Å; Y575-F604 HydrophobicContact CG-CZ 4.16Å; L591-F604 WeakPolarHBondContact CA-O 3.29Å; F592-F604 HydrophobicContact CD1-CB 3.67Å; F592-F604 HydrophobicContact CD2-CB 3.92Å; F592-F604 AromaticContact CD2-CD2 3.85Å; F592-F604 HydrophobicContact CD2-CD2 3.85Å; F592-F604 HydrophobicContact CD2-CG 4.17Å; F592-F604 HydrophobicContact CE1-CB 3.22Å; F592-F604 HydrophobicContact CE1-CG 4.1Å; F592-F604 HydrophobicContact CE2-CB 3.49Å; F592-F604 VanDerWaalsContact CE2-CB 3.49Å; F592-F604 HydrophobicContact CE2-CD1 4.35Å; F592-F604 AromaticContact CE2-CD2 3.43Å; F592-F604 HydrophobicContact CE2-CD2 3.43Å; F592-F604 VanDerWaalsContact CE2-CD2 3.43Å; F592-F604 HydrophobicContact CE2-CE2 4.26Å; F592-F604 AromaticContact CE2-CG 3.5Å; F592-F604 HydrophobicContact CE2-CG 3.5Å; F592-F604 VanDerWaalsContact CE2-CG 3.5Å; F592-F604 HydrophobicContact CG-CB 4.01Å; F592-F604 HydrophobicContact CZ-CB 3.13Å; F592-F604 HydrophobicContact CZ-CD1 4.12Å; F592-F604 AromaticContact CZ-CD2 3.95Å; F592-F604 HydrophobicContact CZ-CD2 3.95Å; F592-F604 AromaticContact CZ-CG 3.48Å; F592-F604 HydrophobicContact CZ-CG 3.48Å; F592-F604 VanDerWaalsContact CZ-CG 3.48Å; F592-F604 PolarHBondContact N-O 3.4Å; F592-F604 PolarHBondContact O-N 3.18Å; R602-F604 HydrophobicContact CB-CE2 3.62Å; R602-F604 HydrophobicContact CB-CZ 3.89Å; R602-F604 WeakPolarHBondContact O-CD2 3.4Å; R602-F604 WeakPolarHBondContact O-CE2 3.47Å; F604-V619 CarbonylContact C-O 3.59Å; F604-V619 WeakPolarHBondContact CA-O 3.27Å; F604-P620 HydrophobicContact CD1-CB 3.97Å; F604-P620 HydrophobicContact CE1-CB 3.9Å
605	H	97	Very high	92.5	Very high	20 Å²	20	46.8 Å²	46.8	9%	0.093	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.6	126.5	162.7	-170.4	82.3	0	0	0	108.3	L309 P590 I618 V619 L621	L309-H605 HydrophobicContact CD1-CB 3.99Å; P590-H605 WeakPolarHBondContact CG-CE1 3.3Å; P590-H605 CarbonylContact O-C 3.4Å; P590-H605 WeakPolarHBondContact O-CA 3.24Å; P590-H605 PolarHBondContact O-ND1 2.9Å; H605-I618 CarbonylContact O-C 3.59Å; H605-I618 WeakPolarHBondContact O-CA 3.23Å; H605-V619 HydrophobicContact CB-CB 4.18Å; H605-V619 PolarHBondContact N-O 3.03Å; H605-V619 PolarHBondContact O-N 2.8Å; H605-L621 HydrophobicContact CB-CD1 3.89Å; H605-L621 HydrophobicContact CB-CD2 4.13Å; H605-L621 HydrophobicContact CB-CG 4.04Å
606	G	95	Very high	92.4	Very high	0 Å²	0	47 Å²	47	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.6	88.2	177.1	0	0	0	0	0	109.6	P590 L617	P590-G606 PolarHBondContact O-N 2.96Å; G606-L617 WeakPolarHBondContact CA-O 3.47Å
607	M	93.3	Very high	92.2	Very high	65 Å²	65	49 Å²	49	32%	0.32	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	119.7	178.4	-171.6	64.9	179.4	0	0	109.7	P590 Y609 P616 L617	P590-M607 HydrophobicContact CB-SD 3.91Å; P590-M607 HydrophobicContact CG-SD 4.17Å; M607-Y609 HydrophobicContact CG-CD1 4.49Å; M607-Y609 HydrophobicContact CG-CE1 4.1Å; M607-P616 CarbonylContact O-C 3.5Å; M607-P616 VanDerWaalsContact O-CA 3.26Å; M607-P616 WeakPolarHBondContact O-CA 3.41Å; M607-L617 HydrophobicContact CB-CB 4.31Å; M607-L617 PolarHBondContact N-O 3.33Å; M607-L617 PolarHBondContact O-N 2.71Å
608	V	92.4	Very high	92.3	Very high	13 Å²	13	48.6 Å²	48.6	8%	0.079	24%	0.241	C	C	.	.	P	Polyproline II helix	trans	-100.7	121.7	170.6	-178.3	0	0	0	0	107.4	R545 N548 W560 P616	R545-V608 PolarHBondContact NH1-O 2.54Å; N548-V608 HydrophobicContact CB-CG2 4.37Å; N548-V608 VanDerWaalsContact ND2-CG1 3.27Å; N548-V608 WeakPolarHBondContact ND2-CG1 3.34Å; N548-V608 VanDerWaalsContact ND2-CG2 3.25Å; N548-V608 WeakPolarHBondContact ND2-CG2 3.06Å; W560-V608 HydrophobicContact CH2-CG2 4.41Å; W560-V608 HydrophobicContact CZ2-CG2 3.95Å; V608-P616 HydrophobicContact CG2-CB 4.45Å
609	Y	90.9	Very high	92.4	Very high	67 Å²	67	47.2 Å²	47.2	26%	0.263	23%	0.233	S	C	.	.	P	Polyproline II helix	trans	-78.5	154.5	177.9	-61.7	-80	0	0	0	110.4	M607 D611 Q614 N615 L617	M607-Y609 HydrophobicContact CG-CD1 4.49Å; M607-Y609 HydrophobicContact CG-CE1 4.1Å; Y609-D611 VanDerWaalsContact C-N 3.31Å; Y609-Q614 HydrophobicContact CD1-CG 4.43Å; Y609-Q614 HydrophobicContact CD2-CB 4.02Å; Y609-Q614 HydrophobicContact CD2-CG 3.42Å; Y609-Q614 VanDerWaalsContact CD2-CG 3.42Å; Y609-Q614 HydrophobicContact CE2-CG 3.79Å; Y609-Q614 VanDerWaalsContact CE2-NE2 3.35Å; Y609-Q614 HydrophobicContact CG-CB 4.07Å; Y609-Q614 HydrophobicContact CG-CG 3.78Å; Y609-Q614 VanDerWaalsContact CG-OE1 3.27Å; Y609-N615 WeakPolarHBondContact CD2-O 3.28Å; Y609-N615 WeakPolarHBondContact CE2-O 3Å; Y609-L617 HydrophobicContact CE2-CB 4.02Å
610	N	85.4	Confident	92.5	Very high	127 Å²	127	49 Å²	49	68%	0.679	24%	0.244	S	C	*	.	S	Bend	trans	-78.3	-23.7	172.8	-72.2	-17.3	0	0	0	111.5	R545 F612	R545-N610 PolarHBondContact NH1-OD1 3.33Å; R545-N610 PolarHBondContact NH2-OD1 2.92Å; R545-N610 VanDerWaalsContact NH2-OD1 3.13Å; N610-F612 PolarHBondContact O-N 2.75Å
611	D	86.9	Confident	92.6	Very high	90 Å²	90	49.7 Å²	49.7	48%	0.481	25%	0.247	S	C	.	.	S	Bend	trans	-74.4	122.4	174.1	-175.9	2.3	0	0	0	109.6	Y609 L613 Q614	Y609-D611 VanDerWaalsContact C-N 3.31Å; D611-L613 PolarHBondContact O-N 3.28Å; D611-L613 PolarHBondContact OD1-N 2.67Å; D611-L613 VanDerWaalsContact OD1-N 3.08Å; D611-Q614 HydrophobicContact CB-CB 4.43Å; D611-Q614 PolarHBondContact O-N 3.46Å
612	F	78	Confident	92.6	Very high	183 Å²	183	54.3 Å²	54.3	80%	0.803	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-21.4	-179.3	-68.2	-76.1	0	0	0	113.3	N610	N610-F612 PolarHBondContact O-N 2.75Å
613	L	87.1	Confident	92.6	Very high	155 Å²	155	55.3 Å²	55.3	81%	0.812	28%	0.277	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82.2	-17.8	178.9	-65.6	176.1	0	0	0	112.9	D611	D611-L613 PolarHBondContact O-N 3.28Å; D611-L613 PolarHBondContact OD1-N 2.67Å; D611-L613 VanDerWaalsContact OD1-N 3.08Å
614	Q	90.8	Very high	92.5	Very high	93 Å²	93	55.4 Å²	55.4	44%	0.435	28%	0.278	S	S	.	.	S	Bend	trans	-97.1	111.2	-176.9	-166.7	177.1	4.7	0	0	111.5	Y609 D611	Y609-Q614 HydrophobicContact CD1-CG 4.43Å; Y609-Q614 HydrophobicContact CD2-CB 4.02Å; Y609-Q614 HydrophobicContact CD2-CG 3.42Å; Y609-Q614 VanDerWaalsContact CD2-CG 3.42Å; Y609-Q614 HydrophobicContact CE2-CG 3.79Å; Y609-Q614 VanDerWaalsContact CE2-NE2 3.35Å; Y609-Q614 HydrophobicContact CG-CB 4.07Å; Y609-Q614 HydrophobicContact CG-CG 3.78Å; Y609-Q614 VanDerWaalsContact CG-OE1 3.27Å; D611-Q614 HydrophobicContact CB-CB 4.43Å; D611-Q614 PolarHBondContact O-N 3.46Å
615	N	91.1	Very high	92.3	Very high	73 Å²	73	65 Å²	65	39%	0.39	31%	0.314	S	S	.	.	P	Polyproline II helix	trans	-62.5	153.2	177.6	-67.1	-41.2	0	0	0	112.6	Y570 Y609	Y570-N615 HydrophobicContact CE2-CB 4.08Å; Y570-N615 WeakPolarHBondContact OH-CB 3.45Å; Y609-N615 WeakPolarHBondContact CD2-O 3.28Å; Y609-N615 WeakPolarHBondContact CE2-O 3Å
616	P	92.5	Very high	91.8	Very high	5 Å²	5	65.1 Å²	65.1	3%	0.032	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-64.6	138.2	-178.5	23.5	-31.8	0	0	0	112.5	W560 Y570 M607 V608	W560-P616 HydrophobicContact CZ2-CB 4.06Å; W560-P616 HydrophobicContact CZ2-CG 4.45Å; Y570-P616 HydrophobicContact CD1-CG 3.88Å; Y570-P616 HydrophobicContact CE1-CG 3.73Å; Y570-P616 PolarHBondContact OH-O 2.71Å; M607-P616 CarbonylContact O-C 3.5Å; M607-P616 VanDerWaalsContact O-CA 3.26Å; M607-P616 WeakPolarHBondContact O-CA 3.41Å; V608-P616 HydrophobicContact CG2-CB 4.45Å
617	L	93.7	Very high	91.8	Very high	43 Å²	43	65.7 Å²	65.7	23%	0.225	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	118.6	174.9	176.3	68.1	0	0	0	109.6	L303 P304 G606 M607 Y609 V619	L303-L617 HydrophobicContact CD2-CD1 4.35Å; P304-L617 HydrophobicContact CG-CD2 4.14Å; G606-L617 WeakPolarHBondContact CA-O 3.47Å; M607-L617 HydrophobicContact CB-CB 4.31Å; M607-L617 PolarHBondContact N-O 3.33Å; M607-L617 PolarHBondContact O-N 2.71Å; Y609-L617 HydrophobicContact CE2-CB 4.02Å; L617-V619 HydrophobicContact CD1-CG2 4.09Å; L617-V619 HydrophobicContact CD2-CG2 4.39Å; L617-V619 HydrophobicContact CG-CG2 4.01Å
618	I	95.6	Very high	91.7	Very high	1 Å²	1	67.2 Å²	67.2	1%	0.005	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.1	118.6	-178.2	-55.8	163.2	0	0	0	109.3	W560 Y570 R571 L573 F592 H605	W560-I618 HydrophobicContact CB-CD1 3.81Å; W560-I618 HydrophobicContact CD2-CD1 3.47Å; W560-I618 VanDerWaalsContact CD2-CD1 3.47Å; W560-I618 HydrophobicContact CD2-CG1 4.12Å; W560-I618 HydrophobicContact CE3-CD1 3.79Å; W560-I618 HydrophobicContact CE3-CG1 4.09Å; W560-I618 HydrophobicContact CG-CD1 3.47Å; W560-I618 VanDerWaalsContact CG-CD1 3.47Å; W560-I618 HydrophobicContact CZ3-CG1 4.43Å; Y570-I618 HydrophobicContact CD1-CD1 4.21Å; Y570-I618 HydrophobicContact CE1-CD1 4.2Å; R571-I618 HydrophobicContact CB-CD1 4Å; R571-I618 PolarHBondContact NH1-O 2.73Å; L573-I618 HydrophobicContact CD1-CG2 4.03Å; F592-I618 HydrophobicContact CE1-CG2 4.08Å; F592-I618 HydrophobicContact CZ-CG2 3.82Å; H605-I618 CarbonylContact O-C 3.59Å; H605-I618 WeakPolarHBondContact O-CA 3.23Å
619	V	96	Very high	91.8	Very high	4 Å²	4	70.3 Å²	70.3	2%	0.024	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	125.6	-177.7	-174.2	0	0	0	0	110	L303 L309 F604 H605 L617	L303-V619 HydrophobicContact CB-CG1 4.4Å; L303-V619 HydrophobicContact CB-CG2 4.41Å; L303-V619 HydrophobicContact CD2-CG2 4.42Å; L309-V619 HydrophobicContact CD1-CB 3.89Å; L309-V619 HydrophobicContact CD1-CG1 3.88Å; L309-V619 HydrophobicContact CD1-CG2 4.04Å; F604-V619 CarbonylContact C-O 3.59Å; F604-V619 WeakPolarHBondContact CA-O 3.27Å; H605-V619 HydrophobicContact CB-CB 4.18Å; H605-V619 PolarHBondContact N-O 3.03Å; H605-V619 PolarHBondContact O-N 2.8Å; L617-V619 HydrophobicContact CD1-CG2 4.09Å; L617-V619 HydrophobicContact CD2-CG2 4.39Å; L617-V619 HydrophobicContact CG-CG2 4.01Å
620	P	96	Very high	91.9	Very high	43 Å²	43	70 Å²	70	28%	0.279	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	131.3	170.2	30.3	-33.9	0	0	0	110.4	Y575 F604	Y575-P620 HydrophobicContact CE1-CB 4.46Å; Y575-P620 HydrophobicContact CE2-CB 4.49Å; F604-P620 HydrophobicContact CD1-CB 3.97Å; F604-P620 HydrophobicContact CE1-CB 3.9Å
621	L	95.6	Very high	92	Very high	20 Å²	20	71 Å²	71	11%	0.105	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105	-69.4	-176.6	-64	175.3	0	0	0	111.9	P306 L309 F312 L591 V603 H605	P306-L621 HydrophobicContact CB-CD2 4.02Å; L309-L621 HydrophobicContact CB-CD2 3.93Å; L309-L621 HydrophobicContact CD1-CD2 3.87Å; F312-L621 HydrophobicContact CB-CD1 3.75Å; F312-L621 HydrophobicContact CD1-CD1 3.79Å; F312-L621 HydrophobicContact CD1-CD2 4.34Å; F312-L621 HydrophobicContact CD1-CG 4.48Å; F312-L621 HydrophobicContact CD2-CB 4.12Å; F312-L621 HydrophobicContact CD2-CD1 4.36Å; F312-L621 HydrophobicContact CE1-CD2 4.29Å; F312-L621 HydrophobicContact CE2-CB 4.25Å; F312-L621 HydrophobicContact CG-CB 4.29Å; F312-L621 HydrophobicContact CG-CD1 3.72Å; L591-L621 HydrophobicContact CD2-CD1 3.65Å; V603-L621 HydrophobicContact CG1-CD1 4.26Å; V603-L621 WeakPolarHBondContact O-CB 3.48Å; V603-L621 PolarHBondContact O-N 3.35Å; H605-L621 HydrophobicContact CB-CD1 3.89Å; H605-L621 HydrophobicContact CB-CD2 4.13Å; H605-L621 HydrophobicContact CB-CG 4.04Å
622	K	96	Very high	92.1	Very high	98 Å²	98	74.8 Å²	74.8	43%	0.426	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141	143.2	-171	-167	68.7	176.1	-176.9	0	111.4	F312 V603 L624	F312-K622 HydrophobicContact CD2-CB 4.22Å; F312-K622 HydrophobicContact CE2-CB 4.08Å; V603-K622 PolarHBondContact N-O 3.29Å; V603-K622 PolarHBondContact O-N 2.8Å; K622-L624 HydrophobicContact CG-CD2 4Å
623	V	96.3	Very high	92.7	Very high	59 Å²	59	68.2 Å²	68.2	36%	0.358	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.8	113	167.1	-175.1	0	0	0	0	107.3	R602 R625	R602-V623 HydrophobicContact CG-CG1 4.26Å; R602-V623 HydrophobicContact CG-CG2 4.25Å; V623-R625 HydrophobicContact CG1-CG 4.12Å
624	L	95.9	Very high	93	Very high	3 Å²	3	60.8 Å²	60.8	2%	0.016	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	116.8	176.1	-57.4	175.4	0	0	0	108	P313 T314 S600 A601 V603 K622 L647 F659	P313-L624 HydrophobicContact CB-CD1 4.38Å; P313-L624 HydrophobicContact CG-CD1 4.37Å; T314-L624 WeakPolarHBondContact O-CD2 3.11Å; S600-L624 WeakPolarHBondContact CA-O 3.14Å; A601-L624 HydrophobicContact CB-CB 4.23Å; A601-L624 PolarHBondContact N-O 3.26Å; A601-L624 WeakPolarHBondContact O-CA 3.49Å; A601-L624 WeakPolarHBondContact O-CB 3.23Å; A601-L624 PolarHBondContact O-N 3.1Å; V603-L624 HydrophobicContact CG2-CD1 3.5Å; V603-L624 HydrophobicContact CG2-CG 4Å; K622-L624 HydrophobicContact CG-CD2 4Å; L624-L647 HydrophobicContact CD1-CD2 3.76Å; L624-F659 HydrophobicContact CB-CD1 3.93Å; L624-F659 HydrophobicContact CB-CE1 3.86Å; L624-F659 HydrophobicContact CB-CG 4.36Å; L624-F659 HydrophobicContact CB-CZ 4.24Å; L624-F659 HydrophobicContact CD1-CB 3.76Å; L624-F659 HydrophobicContact CD1-CD1 4Å; L624-F659 HydrophobicContact CD1-CD2 4.19Å; L624-F659 HydrophobicContact CD1-CG 3.72Å; L624-F659 HydrophobicContact CD2-CB 4.45Å; L624-F659 HydrophobicContact CD2-CD1 3.83Å; L624-F659 HydrophobicContact CD2-CE1 4.45Å; L624-F659 HydrophobicContact CD2-CG 4.34Å; L624-F659 HydrophobicContact CG-CD1 4.13Å; L624-F659 HydrophobicContact CG-CG 4.36Å
625	R	93.3	Very high	93.2	Very high	203 Å²	203	56.4 Å²	56.4	77%	0.766	29%	0.29	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-115.2	139.5	175.9	-62.2	-176.8	-177	173.4	1.8	107.8	V623	V623-R625 HydrophobicContact CG1-CG 4.12Å
626	G	86.8	Confident	93.4	Very high	22 Å²	22	53.8 Å²	53.8	23%	0.227	28%	0.276	C	S	.	.			trans	-174.5	-48.7	176.6	0	0	0	0	0	110.5	R657	G626-R657 VanDerWaalsContact CA-NH1 3.29Å; G626-R657 PolarHBondContact O-NH1 3.5Å; G626-R657 PolarHBondContact O-NH2 3.25Å
627	H	93.7	Very high	93.6	Very high	13 Å²	13	54.7 Å²	54.7	6%	0.06	28%	0.28	C	S	.	.			trans	-63.5	137.5	-175.9	-75.1	-83.7	0	0	0	112.9	T635 T649 D653 T655 R657	H627-T635 HydrophobicContact CB-CG2 3.8Å; H627-T635 WeakPolarHBondContact CD2-CG2 3.09Å; H627-T649 PolarHBondContact CD2-OG1 3.42Å; H627-T649 PolarHBondContact NE2-OG1 3.03Å; H627-D653 WeakPolarHBondContact CA-OD2 3.43Å; H627-D653 IonicContact CE1-OD1 3.63Å; H627-D653 IonicContact CG-OD2 2.78Å; H627-D653 IonicContact ND1-OD1 3.98Å; H627-D653 PolarHBondContact ND1-OD1 3.24Å; H627-D653 IonicContact ND1-OD2 3.86Å; H627-D653 PolarHBondContact ND1-OD2 2.8Å; H627-D653 VanDerWaalsContact ND1-OD2 3.16Å; H627-T655 PolarHBondContact CE1-O 3.16Å; H627-R657 WeakPolarHBondContact NE2-CD 3.35Å
628	D	92.8	Very high	93.7	Very high	96 Å²	96	52.7 Å²	52.7	51%	0.513	27%	0.27	S	S	.	.			trans	-82.5	141.8	172.9	-57.7	-55.1	0	0	0	109	D653 R657	D628-D653 HydrophobicContact CB-CB 4.07Å; D628-D653 PolarHBondContact N-OD2 2.69Å; D628-R657 IonicContact OD2-NH2 3.36Å
629	V	94.2	Very high	93.8	Very high	78 Å²	78	53.8 Å²	53.8	47%	0.473	28%	0.277	S	S	.	.			trans	-87.6	112.9	177.3	-178.7	0	0	0	0	108.2	L633	V629-L633 WeakPolarHBondContact CA-O 2.96Å
630	V	92.3	Very high	93.8	Very high	61 Å²	61	54 Å²	54	37%	0.37	28%	0.277	S	S	.	.	B	Isolated β-bridge	trans	-115.8	127.6	179.6	-177.4	0	0	0	0	107.8	Q632 L633 D653	V630-Q632 PolarHBondContact O-N 3.4Å; V630-Q632 VanDerWaalsContact O-N 3.16Å; V630-L633 PolarHBondContact N-O 2.86Å; V630-L633 WeakPolarHBondContact O-CA 3.1Å; V630-L633 WeakPolarHBondContact O-CB 3.5Å; V630-L633 PolarHBondContact O-N 3.14Å; V630-D653 HydrophobicContact CG2-CB 4.27Å
631	D	88	Confident	93.9	Very high	147 Å²	147	52.6 Å²	52.6	79%	0.786	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.5	38.6	-179.3	-57.3	-32.1	0	0	0	114.3	L633	D631-L633 PolarHBondContact O-N 3.36Å; D631-L633 VanDerWaalsContact O-N 3.16Å
632	Q	89.1	Confident	93.8	Very high	170 Å²	170	52.9 Å²	52.9	79%	0.794	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	64.6	9.3	-175.5	-47.7	175.8	-0.9	0	0	114.6	V630	V630-Q632 PolarHBondContact O-N 3.4Å; V630-Q632 VanDerWaalsContact O-N 3.16Å
633	L	90.5	Very high	93.7	Very high	45 Å²	45	52.8 Å²	52.8	24%	0.236	27%	0.268	C	S	.	.	B	Isolated β-bridge	trans	-99.7	123.3	172.5	-58.3	178.5	0	0	0	109.3	V629 V630 D631 L636	V629-L633 WeakPolarHBondContact CA-O 2.96Å; V630-L633 PolarHBondContact N-O 2.86Å; V630-L633 WeakPolarHBondContact O-CA 3.1Å; V630-L633 WeakPolarHBondContact O-CB 3.5Å; V630-L633 PolarHBondContact O-N 3.14Å; D631-L633 PolarHBondContact O-N 3.36Å; D631-L633 VanDerWaalsContact O-N 3.16Å; L633-L636 HydrophobicContact CB-CD2 4.38Å; L633-L636 HydrophobicContact CD2-CD2 4.25Å
634	G	92.9	Very high	93.7	Very high	0 Å²	0	54.1 Å²	54.1	0%	0	27%	0.27	C	S	.	.			trans	-101.3	-114.3	176.2	0	0	0	0	0	110.7	D597 G651 G652	D597-G634 WeakPolarHBondContact O-CA 3.16Å; D597-G634 PolarHBondContact O-N 3.24Å; G634-G651 CarbonylContact O-C 3.59Å; G634-G651 WeakPolarHBondContact O-CA 3.42Å; G634-G652 PolarHBondContact O-N 3.23Å
635	T	95.5	Very high	93.6	Very high	0 Å²	0	54.4 Å²	54.4	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	125.7	174.4	56.1	0	0	0	0	110.9	R581 C595 S596 S600 H627 C650	R581-T635 WeakPolarHBondContact CB-O 3.43Å; R581-T635 WeakPolarHBondContact CG-O 3.04Å; C595-T635 WeakPolarHBondContact CA-OG1 3.2Å; C595-T635 VanDerWaalsContact CB-OG1 3.23Å; C595-T635 WeakPolarHBondContact CB-OG1 3.26Å; C595-T635 PolarHBondContact SG-OG1 3.24Å; S596-T635 PolarHBondContact N-OG1 3.49Å; S596-T635 PolarHBondContact O-N 3.34Å; S596-T635 PolarHBondContact O-OG1 3.07Å; S600-T635 PolarHBondContact O-OG1 3.23Å; H627-T635 HydrophobicContact CB-CG2 3.8Å; H627-T635 WeakPolarHBondContact CD2-CG2 3.09Å; T635-C650 CarbonylContact C-O 3.57Å; T635-C650 WeakPolarHBondContact CA-O 3.36Å
636	L	95.1	Very high	93.8	Very high	19 Å²	19	47.8 Å²	47.8	10%	0.099	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	-40.7	-173.1	-65.4	179.2	0	0	0	112.5	A326 V327 L328 R581 L633 C650	A326-L636 HydrophobicContact CB-CD1 4.22Å; V327-L636 WeakPolarHBondContact O-CD1 3.18Å; L328-L636 HydrophobicContact CD2-CD1 3.65Å; R581-L636 VanDerWaalsContact CB-O 3.26Å; R581-L636 WeakPolarHBondContact CB-O 3.31Å; R581-L636 HydrophobicContact CG-CD2 4.26Å; L633-L636 HydrophobicContact CB-CD2 4.38Å; L633-L636 HydrophobicContact CD2-CD2 4.25Å; L636-C650 PolarHBondContact N-O 3.18Å
637	D	96.3	Very high	94.3	Very high	23 Å²	23	46.8 Å²	46.8	12%	0.123	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.9	155.7	-179.8	-152	3.3	0	0	0	112.4	S329 L330 S582 T649 C650	S329-D637 WeakPolarHBondContact CA-OD2 3.26Å; L330-D637 HydrophobicContact CB-CB 4.5Å; L330-D637 PolarHBondContact N-OD2 3.04Å; L330-D637 VanDerWaalsContact N-OD2 3.09Å; S582-D637 VanDerWaalsContact CB-OD1 3.31Å; S582-D637 WeakPolarHBondContact CB-OD1 3.33Å; S582-D637 PolarHBondContact OG-OD1 2.97Å; D637-T649 WeakPolarHBondContact O-CA 3.45Å; D637-C650 WeakPolarHBondContact CB-SG 3.16Å; D637-C650 PolarHBondContact N-SG 2.84Å; D637-C650 PolarHBondContact O-N 3.26Å
638	C	95.9	Very high	94.5	Very high	2 Å²	2	46.2 Å²	46.2	1%	0.014	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	139.5	175.4	60.9	0	0	0	0	112.6	S582 A584 C595 L647 F648 T649	S582-C638 PolarHBondContact OG-N 2.73Å; A584-C638 WeakPolarHBondContact CB-O 3.4Å; C595-C638 HydrophobicContact CB-CB 4.4Å; C595-C638 WeakPolarHBondContact SG-CB 3.47Å; C638-L647 HydrophobicContact CB-CD1 4.19Å; C638-F648 CarbonylContact C-O 3.56Å; C638-F648 VanDerWaalsContact CA-O 3.28Å; C638-F648 WeakPolarHBondContact CA-O 3.13Å; C638-T649 HydrophobicContact CB-CG2 4.1Å
639	V	97	Very high	94.7	Very high	23 Å²	23	41.6 Å²	41.6	14%	0.139	21%	0.209	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-141.2	136.4	179.2	176.5	0	0	0	0	109.7	L330 I332 F648	L330-V639 WeakPolarHBondContact O-CG2 2.96Å; I332-V639 HydrophobicContact CB-CG1 4.35Å; I332-V639 HydrophobicContact CG2-CG1 3.7Å; V639-F648 PolarHBondContact N-O 3.29Å; V639-F648 PolarHBondContact O-N 3.33Å
640	F	97.3	Very high	94.8	Very high	10 Å²	10	37.9 Å²	37.9	4%	0.044	19%	0.187	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	148.2	173.8	-79.8	-79	0	0	0	111.3	A584 H586 L591 A593 W646 L647	A584-F640 HydrophobicContact CB-CD2 3.97Å; A584-F640 HydrophobicContact CB-CE2 4.27Å; A584-F640 WeakPolarHBondContact O-CE2 3.49Å; H586-F640 HydrophobicContact CB-CB 4.16Å; H586-F640 HydrophobicContact CB-CD1 4.02Å; H586-F640 HydrophobicContact CB-CD2 4.04Å; H586-F640 HydrophobicContact CB-CE1 4.39Å; H586-F640 HydrophobicContact CB-CE2 4.41Å; H586-F640 HydrophobicContact CB-CG 3.81Å; H586-F640 AromaticContact CD2-CD1 3.66Å; H586-F640 AromaticContact CD2-CG 3.91Å; L591-F640 HydrophobicContact CB-CE1 4.28Å; L591-F640 HydrophobicContact CB-CZ 4.17Å; A593-F640 HydrophobicContact CB-CE2 3.62Å; A593-F640 HydrophobicContact CB-CZ 3.6Å; F640-W646 WeakPolarHBondContact CA-O 3.36Å; F640-W646 WeakPolarHBondContact CD1-O 3.31Å; F640-L647 HydrophobicContact CD1-CB 4.32Å; F640-L647 HydrophobicContact CD1-CD1 3.9Å; F640-L647 HydrophobicContact CD2-CD1 4Å; F640-L647 HydrophobicContact CE1-CB 4.19Å; F640-L647 HydrophobicContact CE1-CD1 3.84Å; F640-L647 HydrophobicContact CE2-CD1 3.92Å; F640-L647 HydrophobicContact CG-CD1 4Å; F640-L647 HydrophobicContact CZ-CD1 3.86Å
641	H	97	Very high	94.8	Very high	13 Å²	13	35 Å²	35	6%	0.06	17%	0.169	C	C	.	.			trans	-63.1	142.1	165.9	-176.1	-73	0	0	0	110.3	I332 G336 H586 Y643 Q644 W646 F648	I332-H641 HydrophobicContact CD1-CB 4.32Å; G336-H641 WeakPolarHBondContact CA-NE2 3.3Å; G336-H641 PolarHBondContact O-CD2 3.28Å; G336-H641 PolarHBondContact O-NE2 3.28Å; H586-H641 PolarHBondContact NE2-O 2.87Å; H586-H641 VanDerWaalsContact NE2-O 3.12Å; H641-Y643 VanDerWaalsContact C-N 3.32Å; H641-Y643 AromaticContact CE1-CD2 3.9Å; H641-Y643 PolarHBondContact ND1-N 2.78Å; H641-Y643 PolarHBondContact O-N 2.69Å; H641-Q644 HydrophobicContact CB-CB 4.47Å; H641-Q644 WeakPolarHBondContact CB-O 3.3Å; H641-Q644 PolarHBondContact ND1-N 2.81Å; H641-W646 HydrophobicContact CB-CB 3.88Å; H641-W646 AromaticContact CD2-CE3 3.89Å; H641-W646 PolarHBondContact N-O 3.39Å; H641-F648 HydrophobicContact CB-CE2 4.03Å
642	P	93.9	Very high	95.1	Very high	25 Å²	25	28.5 Å²	28.5	16%	0.162	14%	0.136	C	C	.	.	S	Bend	trans	-63.2	-35.8	-174.9	20.6	-32.6	0	0	0	113.7
643	Y	94.4	Very high	95.3	Very high	97 Å²	97	21.1 Å²	21.1	38%	0.38	10%	0.103	S	C	.	.	S	Bend	trans	-107.5	-53.4	-175.6	-52.2	-64.7	0	0	0	114.9	P334 T335 R588 Y589 H641	P334-Y643 PolarHBondContact O-OH 3.47Å; T335-Y643 VanDerWaalsContact O-CE2 3.31Å; T335-Y643 WeakPolarHBondContact O-CE2 3.06Å; R588-Y643 VanDerWaalsContact NH2-CE1 3.27Å; Y589-Y643 WeakPolarHBondContact CE2-O 3.17Å; H641-Y643 VanDerWaalsContact C-N 3.32Å; H641-Y643 AromaticContact CE1-CD2 3.9Å; H641-Y643 PolarHBondContact ND1-N 2.78Å; H641-Y643 PolarHBondContact O-N 2.69Å
644	Q	95.1	Very high	95.5	Very high	87 Å²	87	20.7 Å²	20.7	41%	0.407	10%	0.103	S	C	.	.	S	Bend	trans	-81.9	152.4	-179.4	-59.8	-59	-22.7	0	0	112.7	H586 H641 W646	H586-Q644 PolarHBondContact NE2-O 3.48Å; H641-Q644 HydrophobicContact CB-CB 4.47Å; H641-Q644 WeakPolarHBondContact CB-O 3.3Å; H641-Q644 PolarHBondContact ND1-N 2.81Å; Q644-W646 HydrophobicContact CB-CD2 3.75Å; Q644-W646 HydrophobicContact CB-CE3 4.35Å; Q644-W646 HydrophobicContact CB-CG 3.82Å; Q644-W646 HydrophobicContact CB-CZ2 4.39Å; Q644-W646 HydrophobicContact CG-CD2 4.33Å; Q644-W646 HydrophobicContact CG-CZ2 4.17Å; Q644-W646 PolarHBondContact O-N 2.69Å
645	P	95.4	Very high	95.7	Very high	8 Å²	8	21.1 Å²	21.1	5%	0.052	11%	0.106	C	C	.	.	S	Bend	trans	-76.8	43.7	178.6	35.6	-36.6	0	0	0	111.9	P311 P313 Y589 L591	P311-P645 HydrophobicContact CB-CB 4.33Å; P311-P645 HydrophobicContact CB-CG 3.8Å; P311-P645 HydrophobicContact CG-CB 4.23Å; P311-P645 HydrophobicContact CG-CG 3.87Å; P313-P645 WeakPolarHBondContact CD-O 3.17Å; Y589-P645 HydrophobicContact CD2-CB 3.89Å; Y589-P645 HydrophobicContact CE2-CB 4.04Å; Y589-P645 HydrophobicContact CE2-CG 4.21Å; L591-P645 HydrophobicContact CD1-CB 4.02Å
646	W	96.6	Very high	95.7	Very high	65 Å²	65	21.1 Å²	21.1	25%	0.246	11%	0.106	C	C	.	.			trans	-97.4	143	-179.4	-58.9	-10.5	0	0	0	110	F640 H641 Q644 L658 F659 V660	F640-W646 WeakPolarHBondContact CA-O 3.36Å; F640-W646 WeakPolarHBondContact CD1-O 3.31Å; H641-W646 HydrophobicContact CB-CB 3.88Å; H641-W646 AromaticContact CD2-CE3 3.89Å; H641-W646 PolarHBondContact N-O 3.39Å; Q644-W646 HydrophobicContact CB-CD2 3.75Å; Q644-W646 HydrophobicContact CB-CE3 4.35Å; Q644-W646 HydrophobicContact CB-CG 3.82Å; Q644-W646 HydrophobicContact CB-CZ2 4.39Å; Q644-W646 HydrophobicContact CG-CD2 4.33Å; Q644-W646 HydrophobicContact CG-CZ2 4.17Å; Q644-W646 PolarHBondContact O-N 2.69Å; W646-L658 HydrophobicContact CB-CD1 3.76Å; W646-L658 HydrophobicContact CD2-CD1 4.49Å; W646-L658 HydrophobicContact CE3-CD1 4.36Å; W646-L658 HydrophobicContact CG-CD1 4.29Å; W646-F659 WeakPolarHBondContact CA-O 3.46Å; W646-V660 HydrophobicContact CD2-CG2 4.15Å; W646-V660 HydrophobicContact CG-CG2 3.92Å; W646-V660 VanDerWaalsContact NE1-CG1 3.34Å
647	L	97.3	Very high	95.8	Very high	0 Å²	0	20.8 Å²	20.8	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	124.3	177.3	-176.7	72.6	0	0	0	109.3	P313 A593 A601 V603 L624 C638 F640 T649 F659	P313-L647 HydrophobicContact CB-CB 4.43Å; P313-L647 HydrophobicContact CG-CB 3.89Å; A593-L647 HydrophobicContact CB-CD1 3.79Å; A593-L647 HydrophobicContact CB-CD2 3.81Å; A593-L647 HydrophobicContact CB-CG 4.48Å; A601-L647 HydrophobicContact CB-CD2 4.14Å; V603-L647 HydrophobicContact CG2-CD2 4.32Å; L624-L647 HydrophobicContact CD1-CD2 3.76Å; C638-L647 HydrophobicContact CB-CD1 4.19Å; F640-L647 HydrophobicContact CD1-CB 4.32Å; F640-L647 HydrophobicContact CD1-CD1 3.9Å; F640-L647 HydrophobicContact CD2-CD1 4Å; F640-L647 HydrophobicContact CE1-CB 4.19Å; F640-L647 HydrophobicContact CE1-CD1 3.84Å; F640-L647 HydrophobicContact CE2-CD1 3.92Å; F640-L647 HydrophobicContact CG-CD1 4Å; F640-L647 HydrophobicContact CZ-CD1 3.86Å; L647-T649 HydrophobicContact CD2-CG2 3.91Å; L647-T649 HydrophobicContact CG-CG2 4.01Å; L647-F659 HydrophobicContact CB-CB 4.45Å; L647-F659 PolarHBondContact N-O 3.33Å; L647-F659 PolarHBondContact O-N 2.76Å
648	F	97.2	Very high	95.8	Very high	1 Å²	1	19.9 Å²	19.9	0%	0.004	10%	0.098	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	137.9	168	-56.3	-94.9	0	0	0	109.8	Y320 L330 I332 V339 A353 C638 V639 H641 R657 L658	Y320-F648 HydrophobicContact CE2-CD1 4.26Å; Y320-F648 HydrophobicContact CE2-CE1 4.36Å; Y320-F648 WeakPolarHBondContact OH-CE1 3.22Å; L330-F648 HydrophobicContact CD2-CB 3.4Å; I332-F648 HydrophobicContact CD1-CD2 4.13Å; I332-F648 HydrophobicContact CD1-CE2 3.42Å; I332-F648 VanDerWaalsContact CD1-CE2 3.42Å; I332-F648 HydrophobicContact CD1-CZ 3.97Å; V339-F648 HydrophobicContact CG2-CD1 3.91Å; V339-F648 HydrophobicContact CG2-CE1 3.58Å; V339-F648 HydrophobicContact CG2-CE2 4.27Å; V339-F648 HydrophobicContact CG2-CG 4.38Å; V339-F648 HydrophobicContact CG2-CZ 3.79Å; A353-F648 HydrophobicContact CB-CE1 4.47Å; A353-F648 HydrophobicContact CB-CZ 4.07Å; C638-F648 CarbonylContact C-O 3.56Å; C638-F648 VanDerWaalsContact CA-O 3.28Å; C638-F648 WeakPolarHBondContact CA-O 3.13Å; V639-F648 PolarHBondContact N-O 3.29Å; V639-F648 PolarHBondContact O-N 3.33Å; H641-F648 HydrophobicContact CB-CE2 4.03Å; F648-R657 CarbonylContact C-O 3.5Å; F648-R657 VanDerWaalsContact CA-O 3.31Å; F648-R657 WeakPolarHBondContact CA-O 3.21Å; F648-L658 HydrophobicContact CD1-CB 4.1Å; F648-L658 HydrophobicContact CD1-CD1 3.82Å; F648-L658 HydrophobicContact CD1-CG 4.48Å; F648-L658 HydrophobicContact CD2-CD1 4.39Å; F648-L658 HydrophobicContact CE1-CB 4.08Å; F648-L658 HydrophobicContact CE1-CD1 3.51Å; F648-L658 HydrophobicContact CE1-CD2 4.17Å; F648-L658 HydrophobicContact CE1-CG 4.11Å; F648-L658 HydrophobicContact CE2-CD1 4.09Å; F648-L658 HydrophobicContact CG-CD1 4.25Å; F648-L658 HydrophobicContact CZ-CD1 3.64Å
649	T	97.3	Very high	95.8	Very high	0 Å²	0	20 Å²	20	0%	0	10%	0.099	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	149.8	176.9	61.5	0	0	0	0	110.3	A601 H627 D637 C638 L647 V656 R657 F659	A601-T649 HydrophobicContact CB-CG2 3.91Å; H627-T649 PolarHBondContact CD2-OG1 3.42Å; H627-T649 PolarHBondContact NE2-OG1 3.03Å; D637-T649 WeakPolarHBondContact O-CA 3.45Å; C638-T649 HydrophobicContact CB-CG2 4.1Å; L647-T649 HydrophobicContact CD2-CG2 3.91Å; L647-T649 HydrophobicContact CG-CG2 4.01Å; T649-V656 CarbonylContact O-C 3.47Å; T649-V656 VanDerWaalsContact O-CA 3.27Å; T649-V656 WeakPolarHBondContact O-CA 3.26Å; T649-V656 WeakPolarHBondContact O-CG1 3.34Å; T649-R657 PolarHBondContact N-O 2.76Å; T649-R657 PolarHBondContact O-N 3.34Å; T649-F659 HydrophobicContact CG2-CD2 4.28Å; T649-F659 HydrophobicContact CG2-CE2 4.22Å; T649-F659 WeakPolarHBondContact OG1-CE2 3.42Å
650	C	95.9	Very high	95.7	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	155.7	172.9	76.2	0	0	0	0	110.7	V327 L330 T635 L636 D637 V656	V327-C650 HydrophobicContact CB-CB 3.83Å; V327-C650 HydrophobicContact CG1-CB 3.56Å; V327-C650 PolarHBondContact O-SG 2.7Å; L330-C650 HydrophobicContact CB-CB 4.4Å; T635-C650 CarbonylContact C-O 3.57Å; T635-C650 WeakPolarHBondContact CA-O 3.36Å; L636-C650 PolarHBondContact N-O 3.18Å; D637-C650 WeakPolarHBondContact CB-SG 3.16Å; D637-C650 PolarHBondContact N-SG 2.84Å; D637-C650 PolarHBondContact O-N 3.26Å; C650-V656 HydrophobicContact CB-CG2 4.03Å
651	G	94	Very high	95.6	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	11%	0.111	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	176.4	-173.6	0	0	0	0	0	115.6	V327 G634 D653 S654 T655	V327-G651 PolarHBondContact N-O 2.78Å; V327-G651 VanDerWaalsContact N-O 3.14Å; G634-G651 CarbonylContact O-C 3.59Å; G634-G651 WeakPolarHBondContact O-CA 3.42Å; G651-D653 PolarHBondContact O-N 3.49Å; G651-S654 PolarHBondContact O-N 3.4Å; G651-T655 PolarHBondContact N-O 2.71Å
652	G	93.3	Very high	95.5	Very high	10 Å²	10	22.5 Å²	22.5	10%	0.103	11%	0.114	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-23.7	172.3	0	0	0	0	0	113.2	G634 S654	G634-G652 PolarHBondContact O-N 3.23Å; G652-S654 PolarHBondContact O-N 2.72Å
653	D	94.1	Very high	95.6	Very high	16 Å²	16	22.4 Å²	22.4	9%	0.086	11%	0.111	C	C	.	.	T	Hydrogen-bonded Turn	trans	-72.3	17.7	177.5	70.7	-6.7	0	0	0	114.9	H627 D628 V630 G651 T655 R657	H627-D653 WeakPolarHBondContact CA-OD2 3.43Å; H627-D653 IonicContact CE1-OD1 3.63Å; H627-D653 IonicContact CG-OD2 2.78Å; H627-D653 IonicContact ND1-OD1 3.98Å; H627-D653 PolarHBondContact ND1-OD1 3.24Å; H627-D653 IonicContact ND1-OD2 3.86Å; H627-D653 PolarHBondContact ND1-OD2 2.8Å; H627-D653 VanDerWaalsContact ND1-OD2 3.16Å; D628-D653 HydrophobicContact CB-CB 4.07Å; D628-D653 PolarHBondContact N-OD2 2.69Å; V630-D653 HydrophobicContact CG2-CB 4.27Å; G651-D653 PolarHBondContact O-N 3.49Å; D653-T655 VanDerWaalsContact O-CG2 3.3Å; D653-T655 WeakPolarHBondContact O-CG2 3.17Å; D653-T655 PolarHBondContact O-N 2.75Å; D653-T655 VanDerWaalsContact O-N 3.09Å; D653-T655 PolarHBondContact OD1-N 2.8Å; D653-T655 PolarHBondContact OD1-OG1 3.39Å; D653-T655 PolarHBondContact OD2-OG1 2.75Å; D653-R657 IonicContact OD2-CZ 3.22Å; D653-R657 IonicContact OD2-NE 3.47Å; D653-R657 IonicContact OD2-NH2 3.86Å; D653-R657 PolarHBondContact OD2-NH2 3.5Å
654	S	94.7	Very high	95.7	Very high	35 Å²	35	18 Å²	18	25%	0.245	10%	0.095	C	C	.	.	S	Bend	trans	56.4	17.5	-177.9	68.3	0	0	0	0	115.6	H323 A325 G651 G652	H323-S654 WeakPolarHBondContact CB-O 3.27Å; A325-S654 VanDerWaalsContact O-CA 3.27Å; A325-S654 WeakPolarHBondContact O-CA 3.23Å; A325-S654 WeakPolarHBondContact O-CB 3.32Å; G651-S654 PolarHBondContact O-N 3.4Å; G652-S654 PolarHBondContact O-N 2.72Å
655	T	95.8	Very high	95.7	Very high	9 Å²	9	13.7 Å²	13.7	6%	0.055	8%	0.076	C	C	.	.			trans	-119.7	150.9	-175.7	70.4	0	0	0	0	112.2	K319 H627 G651 D653 R657	K319-T655 HydrophobicContact CD-CG2 4.34Å; K319-T655 HydrophobicContact CG-CG2 4.28Å; H627-T655 PolarHBondContact CE1-O 3.16Å; G651-T655 PolarHBondContact N-O 2.71Å; D653-T655 VanDerWaalsContact O-CG2 3.3Å; D653-T655 WeakPolarHBondContact O-CG2 3.17Å; D653-T655 PolarHBondContact O-N 2.75Å; D653-T655 VanDerWaalsContact O-N 3.09Å; D653-T655 PolarHBondContact OD1-N 2.8Å; D653-T655 PolarHBondContact OD1-OG1 3.39Å; D653-T655 PolarHBondContact OD2-OG1 2.75Å; T655-R657 PolarHBondContact OG1-NE 3.1Å
656	V	96.5	Very high	95.7	Very high	1 Å²	1	14.1 Å²	14.1	1%	0.006	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.7	162.5	-179.4	0	0	0	0	107.1	Y320 V327 L330 T649 C650	Y320-V656 HydrophobicContact CD2-CB 3.88Å; Y320-V656 HydrophobicContact CD2-CG1 3.83Å; Y320-V656 WeakPolarHBondContact CD2-O 3.47Å; Y320-V656 HydrophobicContact CE2-CG1 4.36Å; Y320-V656 HydrophobicContact CG-CB 4.23Å; Y320-V656 HydrophobicContact CG-CG1 4.48Å; Y320-V656 PolarHBondContact N-O 2.67Å; Y320-V656 PolarHBondContact O-N 3.34Å; V327-V656 HydrophobicContact CG1-CG2 4Å; V327-V656 HydrophobicContact CG2-CG2 4.44Å; L330-V656 HydrophobicContact CD1-CB 4.46Å; L330-V656 HydrophobicContact CD1-CG1 3.73Å; L330-V656 HydrophobicContact CD1-CG2 3.85Å; L330-V656 HydrophobicContact CD2-CG1 3.79Å; L330-V656 HydrophobicContact CG-CG1 4.44Å; T649-V656 CarbonylContact O-C 3.47Å; T649-V656 VanDerWaalsContact O-CA 3.27Å; T649-V656 WeakPolarHBondContact O-CA 3.26Å; T649-V656 WeakPolarHBondContact O-CG1 3.34Å; C650-V656 HydrophobicContact CB-CG2 4.03Å
657	R	96.1	Very high	95.7	Very high	11 Å²	11	10.4 Å²	10.4	4%	0.042	7%	0.065	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	142.5	-179.7	-61.9	-179.2	-172	-140.8	13.8	110.4	E316 L318 K319 G626 H627 D628 F648 T649 D653 T655 F659	E316-R657 HydrophobicContact CG-CB 4.45Å; E316-R657 WeakPolarHBondContact OE1-CD 3.44Å; E316-R657 IonicContact OE1-CZ 3.81Å; E316-R657 IonicContact OE1-NE 3.74Å; E316-R657 IonicContact OE1-NH1 3.6Å; E316-R657 PolarHBondContact OE1-NH1 2.52Å; E316-R657 IonicContact OE2-CZ 3.25Å; E316-R657 IonicContact OE2-NH1 2.88Å; E316-R657 PolarHBondContact OE2-NH1 2.78Å; L318-R657 WeakPolarHBondContact O-CA 3.25Å; K319-R657 HydrophobicContact CG-CG 4.32Å; G626-R657 VanDerWaalsContact CA-NH1 3.29Å; G626-R657 PolarHBondContact O-NH1 3.5Å; G626-R657 PolarHBondContact O-NH2 3.25Å; H627-R657 WeakPolarHBondContact NE2-CD 3.35Å; D628-R657 IonicContact OD2-NH2 3.36Å; F648-R657 CarbonylContact C-O 3.5Å; F648-R657 VanDerWaalsContact CA-O 3.31Å; F648-R657 WeakPolarHBondContact CA-O 3.21Å; T649-R657 PolarHBondContact N-O 2.76Å; T649-R657 PolarHBondContact O-N 3.34Å; D653-R657 IonicContact OD2-CZ 3.22Å; D653-R657 IonicContact OD2-NE 3.47Å; D653-R657 IonicContact OD2-NH2 3.86Å; D653-R657 PolarHBondContact OD2-NH2 3.5Å; T655-R657 PolarHBondContact OG1-NE 3.1Å; R657-F659 HydrophobicContact CB-CE2 3.86Å; R657-F659 HydrophobicContact CB-CZ 4.36Å
658	L	96.9	Very high	95.5	Very high	4 Å²	4	11.2 Å²	11.2	2%	0.021	7%	0.07	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	126.1	174.9	171.4	59.4	0	0	0	109.4	E316 V317 L318 Y320 W646 F648 V660	E316-L658 WeakPolarHBondContact CA-O 3.4Å; V317-L658 PolarHBondContact N-O 3.14Å; L318-L658 HydrophobicContact CB-CB 4.11Å; L318-L658 HydrophobicContact CB-CD2 4.42Å; L318-L658 HydrophobicContact CD1-CD2 3.92Å; L318-L658 HydrophobicContact CG-CD2 4.31Å; L318-L658 PolarHBondContact O-N 3.42Å; Y320-L658 HydrophobicContact CE2-CB 3.96Å; W646-L658 HydrophobicContact CB-CD1 3.76Å; W646-L658 HydrophobicContact CD2-CD1 4.49Å; W646-L658 HydrophobicContact CE3-CD1 4.36Å; W646-L658 HydrophobicContact CG-CD1 4.29Å; F648-L658 HydrophobicContact CD1-CB 4.1Å; F648-L658 HydrophobicContact CD1-CD1 3.82Å; F648-L658 HydrophobicContact CD1-CG 4.48Å; F648-L658 HydrophobicContact CD2-CD1 4.39Å; F648-L658 HydrophobicContact CE1-CB 4.08Å; F648-L658 HydrophobicContact CE1-CD1 3.51Å; F648-L658 HydrophobicContact CE1-CD2 4.17Å; F648-L658 HydrophobicContact CE1-CG 4.11Å; F648-L658 HydrophobicContact CE2-CD1 4.09Å; F648-L658 HydrophobicContact CG-CD1 4.25Å; F648-L658 HydrophobicContact CZ-CD1 3.64Å; L658-V660 HydrophobicContact CD1-CG2 4.18Å; L658-V660 HydrophobicContact CD2-CG2 4.26Å; L658-V660 HydrophobicContact CG-CG2 3.97Å
659	F	96.8	Very high	95.4	Very high	4 Å²	4	12.1 Å²	12.1	2%	0.018	8%	0.076	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	134	172.7	-63.2	-90.7	0	0	0	110.9	P313 K315 E316 L624 W646 L647 T649 R657	P313-F659 HydrophobicContact CB-CB 3.9Å; P313-F659 WeakPolarHBondContact CB-O 3.29Å; K315-F659 VanDerWaalsContact O-CA 3.27Å; K315-F659 WeakPolarHBondContact O-CA 3.38Å; E316-F659 HydrophobicContact CB-CD1 4.02Å; E316-F659 HydrophobicContact CB-CE1 3.68Å; E316-F659 HydrophobicContact CB-CZ 4.28Å; E316-F659 HydrophobicContact CG-CE1 4.39Å; L624-F659 HydrophobicContact CB-CD1 3.93Å; L624-F659 HydrophobicContact CB-CE1 3.86Å; L624-F659 HydrophobicContact CB-CG 4.36Å; L624-F659 HydrophobicContact CB-CZ 4.24Å; L624-F659 HydrophobicContact CD1-CB 3.76Å; L624-F659 HydrophobicContact CD1-CD1 4Å; L624-F659 HydrophobicContact CD1-CD2 4.19Å; L624-F659 HydrophobicContact CD1-CG 3.72Å; L624-F659 HydrophobicContact CD2-CB 4.45Å; L624-F659 HydrophobicContact CD2-CD1 3.83Å; L624-F659 HydrophobicContact CD2-CE1 4.45Å; L624-F659 HydrophobicContact CD2-CG 4.34Å; L624-F659 HydrophobicContact CG-CD1 4.13Å; L624-F659 HydrophobicContact CG-CG 4.36Å; W646-F659 WeakPolarHBondContact CA-O 3.46Å; L647-F659 HydrophobicContact CB-CB 4.45Å; L647-F659 PolarHBondContact N-O 3.33Å; L647-F659 PolarHBondContact O-N 2.76Å; T649-F659 HydrophobicContact CG2-CD2 4.28Å; T649-F659 HydrophobicContact CG2-CE2 4.22Å; T649-F659 WeakPolarHBondContact OG1-CE2 3.42Å; R657-F659 HydrophobicContact CB-CE2 3.86Å; R657-F659 HydrophobicContact CB-CZ 4.36Å
660	V	93.4	Very high	95.2	Very high	55 Å²	55	13.2 Å²	13.2	33%	0.333	8%	0.083	S	C	.	.			trans	-128.5	0	-176.7	-179.3	0	0	0	0	112.2	P313 T314 K315 V317 W646 L658	P313-V660 VanDerWaalsContact CA-C 3.47Å; P313-V660 WeakPolarHBondContact CA-OXT 3.38Å; T314-V660 PolarHBondContact N-O 3.08Å; T314-V660 PolarHBondContact OG1-O 3.12Å; T314-V660 VanDerWaalsContact OG1-O 3.13Å; K315-V660 PolarHBondContact N-O 3.15Å; K315-V660 PolarHBondContact O-N 3.43Å; V317-V660 HydrophobicContact CB-CG2 4.26Å; V317-V660 HydrophobicContact CG2-CB 3.71Å; V317-V660 HydrophobicContact CG2-CG2 3.74Å; W646-V660 HydrophobicContact CD2-CG2 4.15Å; W646-V660 HydrophobicContact CG-CG2 3.92Å; W646-V660 VanDerWaalsContact NE1-CG1 3.34Å; L658-V660 HydrophobicContact CD1-CG2 4.18Å; L658-V660 HydrophobicContact CD2-CG2 4.26Å; L658-V660 HydrophobicContact CG-CG2 3.97Å

Retrieved 660 of 660 residues in 1320.6 ms (Link to these results)

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