A0A087XSD1_POEFO Loading...

EF-hand domain-containing family member C2

Microtubule inner protein (MIP) part of the dynein-decorated doublet microtubules (DMTs) in cilia axoneme, which is required for motile cilia beating.

AlphaFold DB , UniProt , Accession A0A087XSD1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 746 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	49.5	Very low	71.4	Confident	244 Å²	244	120.4 Å²	120.4	100%	1.202	73%	0.734	S	S	*	*				0	116.5	0	-70.9	-178	-178.4	0	0	107.5
2	A	62.3	Low	71.3	Confident	106 Å²	106	118.7 Å²	118.7	88%	0.876	72%	0.718	S	S	*	*	P	Polyproline II helix	trans	-89.1	117.9	175.7	0	0	0	0	0	108.3
3	L	76.2	Confident	70.9	Confident	123 Å²	123	117.2 Å²	117.2	64%	0.644	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-73.7	139.5	173.3	-72.7	165.4	0	0	0	109	N9	L3-N9 HydrophobicContact CB-CB 4.49Å
4	P	74.7	Confident	70.6	Confident	83 Å²	83	116.5 Å²	116.5	54%	0.539	71%	0.71	S	S	.	*	P	Polyproline II helix	trans	-63.9	139.8	174	24.6	-30.8	0	0	0	110.3	M6 N9	P4-M6 HydrophobicContact CB-CG 4.32Å; P4-M6 PolarHBondContact O-N 3.48Å; P4-N9 PolarHBondContact O-ND2 3.27Å
5	L	77.8	Confident	70.5	Confident	170 Å²	170	118.4 Å²	118.4	89%	0.89	71%	0.713	S	S	*	*			trans	-73.1	56.2	-179.2	-72.8	160.8	0	0	0	111.8
6	M	77.7	Confident	70.5	Confident	120 Å²	120	123.7 Å²	123.7	59%	0.591	72%	0.724	S	S	*	*			trans	-90.4	147.4	173.1	-64.9	-67.3	-77.8	0	0	109.8	P4 G8 N9	P4-M6 HydrophobicContact CB-CG 4.32Å; P4-M6 PolarHBondContact O-N 3.48Å; M6-G8 PolarHBondContact O-N 2.69Å; M6-G8 VanDerWaalsContact O-N 3.11Å; M6-N9 PolarHBondContact O-N 3.09Å; M6-N9 VanDerWaalsContact O-N 3.12Å
7	P	70.8	Confident	70.5	Confident	129 Å²	129	118.4 Å²	118.4	84%	0.838	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	119.3	173.1	-20.7	30.6	0	0	0	110.2
8	G	73.7	Confident	70.9	Confident	74 Å²	74	122.2 Å²	122.2	76%	0.763	70%	0.7	S	S	*	*	T	Hydrogen-bonded Turn	trans	114.8	-24.6	-177.9	0	0	0	0	0	115.2	M6	M6-G8 PolarHBondContact O-N 2.69Å; M6-G8 VanDerWaalsContact O-N 3.11Å
9	N	78.6	Confident	71.2	Confident	76 Å²	76	125 Å²	125	41%	0.406	70%	0.698	S	S	.	*	S	Bend	trans	-93.3	-3.5	-179.6	-71.1	-14.1	0	0	0	114.1	L3 P4 M6	L3-N9 HydrophobicContact CB-CB 4.49Å; P4-N9 PolarHBondContact O-ND2 3.27Å; M6-N9 PolarHBondContact O-N 3.09Å; M6-N9 VanDerWaalsContact O-N 3.12Å
10	S	72.6	Confident	71.8	Confident	75 Å²	75	124.1 Å²	124.1	52%	0.524	69%	0.686	S	S	.	*	S	Bend	trans	-106.1	111	176.7	57.6	0	0	0	0	110.1	N12	S10-N12 PolarHBondContact O-N 2.93Å
11	P	71.6	Confident	72.3	Confident	124 Å²	124	123.1 Å²	123.1	81%	0.805	68%	0.677	S	S	*	*			trans	-63.1	134.6	171.2	25.7	-31.9	0	0	0	109.7	A13	P11-A13 PolarHBondContact O-N 3.34Å
12	N	70.3	Confident	73.9	Confident	100 Å²	100	119.8 Å²	119.8	54%	0.535	66%	0.655	S	S	.	*			trans	-75.4	98.2	179.3	-172.2	-4.5	0	0	0	110.4	S10 Q14 L15	S10-N12 PolarHBondContact O-N 2.93Å; N12-Q14 PolarHBondContact O-N 3.07Å; N12-Q14 VanDerWaalsContact O-N 3.14Å; N12-Q14 WeakPolarHBondContact OD1-CB 3.48Å; N12-Q14 PolarHBondContact OD1-N 2.8Å; N12-L15 HydrophobicContact CB-CD1 4.13Å; N12-L15 HydrophobicContact CB-CG 4.33Å
13	A	65.8	Low	74.8	Confident	100 Å²	100	116.1 Å²	116.1	83%	0.826	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-65.6	-10.2	178	0	0	0	0	0	113.9	P11	P11-A13 PolarHBondContact O-N 3.34Å
14	Q	67.6	Low	75.1	Confident	107 Å²	107	117.1 Å²	117.1	50%	0.5	63%	0.625	S	S	.	*	T	Hydrogen-bonded Turn	trans	-88.4	-1.3	-175.4	-55.1	-169.9	-5.7	0	0	114.4	N12 K16 K17 F20	N12-Q14 PolarHBondContact O-N 3.07Å; N12-Q14 VanDerWaalsContact O-N 3.14Å; N12-Q14 WeakPolarHBondContact OD1-CB 3.48Å; N12-Q14 PolarHBondContact OD1-N 2.8Å; Q14-K16 PolarHBondContact O-N 3.47Å; Q14-K16 VanDerWaalsContact O-N 3.08Å; Q14-K17 PolarHBondContact O-N 3.38Å; Q14-K17 VanDerWaalsContact O-N 3.13Å; Q14-F20 HydrophobicContact CB-CE1 4.34Å
15	L	68.9	Low	75.4	Confident	145 Å²	145	115 Å²	115	76%	0.759	61%	0.608	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.1	-15.1	-174.2	-83.1	160.6	0	0	0	115.5	N12	N12-L15 HydrophobicContact CB-CD1 4.13Å; N12-L15 HydrophobicContact CB-CG 4.33Å
16	K	69.5	Low	75.5	Confident	203 Å²	203	113.1 Å²	113.1	88%	0.883	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-121.6	9.3	176.2	-69	-173.6	176.8	-178.2	0	113.7	Q14	Q14-K16 PolarHBondContact O-N 3.47Å; Q14-K16 VanDerWaalsContact O-N 3.08Å
17	K	71.9	Confident	75.7	Confident	34 Å²	34	110 Å²	110	15%	0.148	58%	0.578	C	S	.	*			trans	-83.9	123	-176.1	-168.4	168.2	-177.1	172.4	0	109	Q14 R19 F20 I42 E45	Q14-K17 PolarHBondContact O-N 3.38Å; Q14-K17 VanDerWaalsContact O-N 3.13Å; K17-R19 WeakPolarHBondContact CE-O 3.28Å; K17-F20 HydrophobicContact CB-CE1 4.18Å; K17-F20 HydrophobicContact CB-CE2 4.42Å; K17-F20 HydrophobicContact CB-CZ 3.82Å; K17-F20 HydrophobicContact CD-CD1 4.49Å; K17-F20 HydrophobicContact CD-CE1 4.12Å; K17-F20 HydrophobicContact CG-CE1 4.22Å; K17-F20 HydrophobicContact CG-CZ 4.2Å; K17-F20 WeakPolarHBondContact O-CE2 3.06Å; K17-F20 VanDerWaalsContact O-CZ 3.25Å; K17-F20 WeakPolarHBondContact O-CZ 3.43Å; K17-I42 WeakPolarHBondContact CE-O 3.47Å; K17-I42 PolarHBondContact NZ-O 3.15Å; K17-E45 WeakPolarHBondContact CE-OE1 3.5Å; K17-E45 IonicContact NZ-OE1 3.94Å; K17-E45 PolarHBondContact NZ-OE1 3.16Å; K17-E45 IonicContact NZ-OE2 2.97Å; K17-E45 PolarHBondContact NZ-OE2 3.08Å
18	E	76.6	Confident	76.1	Confident	187 Å²	187	108.7 Å²	108.7	87%	0.874	57%	0.567	S	S	*	*			trans	-96.3	-20.4	177.3	-64.9	179	172.6	0	0	112.2
19	R	77.6	Confident	76.1	Confident	175 Å²	175	114.3 Å²	114.3	66%	0.66	57%	0.567	S	S	*	*			trans	-104.8	109.4	-175.6	-66.8	-177.5	179.7	-177	0.4	111	K17 G43	K17-R19 WeakPolarHBondContact CE-O 3.28Å; R19-G43 WeakPolarHBondContact O-CA 3.32Å
20	F	82	Confident	75.9	Confident	106 Å²	106	115 Å²	115	47%	0.465	59%	0.591	S	S	.	*			trans	-117.8	17.9	177	-63.8	-82.7	0	0	0	114	Q14 K17 K22 I42	Q14-F20 HydrophobicContact CB-CE1 4.34Å; K17-F20 HydrophobicContact CB-CE1 4.18Å; K17-F20 HydrophobicContact CB-CE2 4.42Å; K17-F20 HydrophobicContact CB-CZ 3.82Å; K17-F20 HydrophobicContact CD-CD1 4.49Å; K17-F20 HydrophobicContact CD-CE1 4.12Å; K17-F20 HydrophobicContact CG-CE1 4.22Å; K17-F20 HydrophobicContact CG-CZ 4.2Å; K17-F20 WeakPolarHBondContact O-CE2 3.06Å; K17-F20 VanDerWaalsContact O-CZ 3.25Å; K17-F20 WeakPolarHBondContact O-CZ 3.43Å; F20-K22 PolarHBondContact O-N 2.92Å; F20-I42 HydrophobicContact CB-CG2 4.4Å; F20-I42 HydrophobicContact CD1-CG2 4.43Å
21	H	83.9	Confident	76.2	Confident	104 Å²	104	115 Å²	115	48%	0.481	60%	0.603	S	S	.	*	P	Polyproline II helix	trans	-62.2	135.2	177.9	58.3	-83.1	0	0	0	110.6	G43	H21-G43 VanDerWaalsContact CE1-C 3.49Å; H21-G43 PolarHBondContact O-N 3.39Å
22	K	81.3	Confident	76.2	Confident	174 Å²	174	110.8 Å²	110.8	76%	0.757	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-88.7	133.2	175.7	-66.3	-178.3	179.3	179.4	0	109.3	F20 I42	F20-K22 PolarHBondContact O-N 2.92Å; K22-I42 HydrophobicContact CG-CG1 4.33Å
23	S	81.5	Confident	76.6	Confident	30 Å²	30	112.3 Å²	112.3	21%	0.21	59%	0.588	C	S	.	*	P	Polyproline II helix	trans	-75	145.8	167.9	54.9	0	0	0	0	110.5	H25 P40	S23-H25 PolarHBondContact O-N 2.83Å; S23-H25 VanDerWaalsContact O-N 3.11Å; S23-H25 PolarHBondContact OG-CD2 2.92Å; S23-H25 PolarHBondContact OG-NE2 3.3Å; S23-P40 WeakPolarHBondContact CB-O 3.38Å; S23-P40 PolarHBondContact OG-O 2.75Å
24	Q	83.4	Confident	77.2	Confident	143 Å²	143	111.7 Å²	111.7	67%	0.668	57%	0.574	S	S	*	*			trans	-83.1	80.9	176.4	-66.7	172.9	-7.5	0	0	109.9	F26 K39	Q24-F26 VanDerWaalsContact C-N 3.31Å; Q24-K39 WeakPolarHBondContact O-CD 3.43Å; Q24-K39 WeakPolarHBondContact O-CE 3.41Å; Q24-K39 PolarHBondContact O-NZ 3.42Å
25	H	79.8	Confident	77.7	Confident	38 Å²	38	110.7 Å²	110.7	18%	0.176	57%	0.571	C	S	.	*			trans	-67.9	-31.4	177.4	-74.1	-75.6	0	0	0	113.4	S23 L35 D36 K39 P40	S23-H25 PolarHBondContact O-N 2.83Å; S23-H25 VanDerWaalsContact O-N 3.11Å; S23-H25 PolarHBondContact OG-CD2 2.92Å; S23-H25 PolarHBondContact OG-NE2 3.3Å; H25-L35 HydrophobicContact CB-CD1 4.26Å; H25-L35 WeakPolarHBondContact O-CA 3.27Å; H25-D36 PolarHBondContact ND1-O 2.96Å; H25-D36 PolarHBondContact O-N 2.9Å; H25-K39 PolarHBondContact CE1-O 3.44Å; H25-P40 PolarHBondContact NE2-O 3.49Å
26	F	81.4	Confident	77.9	Confident	131 Å²	131	106 Å²	106	58%	0.575	55%	0.547	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.8	115.6	177.1	-61.6	-81.8	0	0	0	109.1	Q24 M33 L35	Q24-F26 VanDerWaalsContact C-N 3.31Å; F26-M33 HydrophobicContact CB-CE 3.41Å; F26-M33 VanDerWaalsContact CB-CE 3.41Å; F26-M33 HydrophobicContact CB-CG 4.37Å; F26-M33 HydrophobicContact CD1-CE 3.54Å; F26-M33 HydrophobicContact CD1-CG 4.32Å; F26-M33 HydrophobicContact CD1-SD 4.32Å; F26-M33 HydrophobicContact CD2-CE 4.39Å; F26-M33 HydrophobicContact CE1-CE 4.35Å; F26-M33 HydrophobicContact CG-CE 3.54Å; F26-L35 HydrophobicContact CD1-CD1 3.77Å; F26-L35 HydrophobicContact CE1-CD1 3.46Å; F26-L35 VanDerWaalsContact CE1-CD1 3.46Å; F26-L35 HydrophobicContact CE2-CD1 4.33Å; F26-L35 HydrophobicContact CG-CD1 4.37Å; F26-L35 HydrophobicContact CZ-CD1 3.76Å
27	I	80.6	Confident	78	Confident	56 Å²	56	102.5 Å²	102.5	29%	0.287	54%	0.537	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	127.2	179	-48.3	172.8	0	0	0	107.2	V34 D36	I27-V34 PolarHBondContact N-O 3.42Å; I27-V34 PolarHBondContact O-N 3.03Å; I27-D36 HydrophobicContact CD1-CB 4.25Å
28	V	79.8	Confident	77.9	Confident	101 Å²	101	108 Å²	108	61%	0.612	56%	0.564	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-88.3	111.9	170.6	-178	0	0	0	0	107.4	G32 M33	V28-G32 WeakPolarHBondContact CA-O 3.28Å; V28-M33 HydrophobicContact CG2-CG 4.49Å
29	Y	73.3	Confident	77.9	Confident	192 Å²	192	101.5 Å²	101.5	75%	0.753	53%	0.532	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-122.6	121.6	177.9	-145.9	-90.6	0	0	0	108.4	G31 G32	Y29-G31 VanDerWaalsContact C-N 3.27Å; Y29-G31 PolarHBondContact O-N 3.17Å; Y29-G32 PolarHBondContact N-O 3.06Å; Y29-G32 PolarHBondContact O-N 3.08Å
30	G	75	Confident	77.9	Confident	89 Å²	89	95 Å²	95	92%	0.918	51%	0.513	S	S	*	.	T	Hydrogen-bonded Turn	trans	60	29.8	-179.8	0	0	0	0	0	115.2	G32	G30-G32 VanDerWaalsContact C-N 3.32Å; G30-G32 PolarHBondContact O-N 3.22Å
31	G	77.6	Confident	77.8	Confident	75 Å²	75	90.2 Å²	90.2	77%	0.773	49%	0.493	S	S	*	.	T	Hydrogen-bonded Turn	trans	84.9	-7.3	179.7	0	0	0	0	0	115.6	Y29	Y29-G31 VanDerWaalsContact C-N 3.27Å; Y29-G31 PolarHBondContact O-N 3.17Å
32	G	72.6	Confident	77.6	Confident	36 Å²	36	89.1 Å²	89.1	37%	0.371	49%	0.49	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	141.6	171.5	0	0	0	0	0	112.2	V28 Y29 G30	V28-G32 WeakPolarHBondContact CA-O 3.28Å; Y29-G32 PolarHBondContact N-O 3.06Å; Y29-G32 PolarHBondContact O-N 3.08Å; G30-G32 VanDerWaalsContact C-N 3.32Å; G30-G32 PolarHBondContact O-N 3.22Å
33	M	77.7	Confident	77.3	Confident	133 Å²	133	81.5 Å²	81.5	66%	0.655	46%	0.461	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-86.9	114	174.5	-165.5	175.7	-167.4	0	0	109.2	F26 V28	F26-M33 HydrophobicContact CB-CE 3.41Å; F26-M33 VanDerWaalsContact CB-CE 3.41Å; F26-M33 HydrophobicContact CB-CG 4.37Å; F26-M33 HydrophobicContact CD1-CE 3.54Å; F26-M33 HydrophobicContact CD1-CG 4.32Å; F26-M33 HydrophobicContact CD1-SD 4.32Å; F26-M33 HydrophobicContact CD2-CE 4.39Å; F26-M33 HydrophobicContact CE1-CE 4.35Å; F26-M33 HydrophobicContact CG-CE 3.54Å; V28-M33 HydrophobicContact CG2-CG 4.49Å
34	V	79.6	Confident	77	Confident	86 Å²	86	81.9 Å²	81.9	52%	0.521	47%	0.47	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	132.1	177.3	-177.5	0	0	0	0	108.9	I27	I27-V34 PolarHBondContact N-O 3.42Å; I27-V34 PolarHBondContact O-N 3.03Å
35	L	78.7	Confident	76.7	Confident	86 Å²	86	80.3 Å²	80.3	45%	0.45	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	114.8	173.4	-179.1	71.4	0	0	0	109.4	H25 F26 L37	H25-L35 HydrophobicContact CB-CD1 4.26Å; H25-L35 WeakPolarHBondContact O-CA 3.27Å; F26-L35 HydrophobicContact CD1-CD1 3.77Å; F26-L35 HydrophobicContact CE1-CD1 3.46Å; F26-L35 VanDerWaalsContact CE1-CD1 3.46Å; F26-L35 HydrophobicContact CE2-CD1 4.33Å; F26-L35 HydrophobicContact CG-CD1 4.37Å; F26-L35 HydrophobicContact CZ-CD1 3.76Å; L35-L37 HydrophobicContact CD2-CD2 3.57Å; L35-L37 HydrophobicContact CD2-CG 4.09Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.22Å
36	D	72.3	Confident	76.4	Confident	46 Å²	46	82.4 Å²	82.4	25%	0.246	48%	0.479	C	S	.	.			trans	-90.3	101.7	172.9	-171.2	-12.7	0	0	0	109.7	H25 I27 E38 K39	H25-D36 PolarHBondContact ND1-O 2.96Å; H25-D36 PolarHBondContact O-N 2.9Å; I27-D36 HydrophobicContact CD1-CB 4.25Å; D36-E38 VanDerWaalsContact C-N 3.29Å; D36-E38 PolarHBondContact OD1-N 3.41Å; D36-K39 HydrophobicContact CB-CD 4.19Å; D36-K39 HydrophobicContact CB-CG 4.44Å; D36-K39 WeakPolarHBondContact OD2-CE 3.37Å; D36-K39 IonicContact OD2-NZ 3.81Å
37	L	71.3	Confident	76.1	Confident	131 Å²	131	80.1 Å²	80.1	69%	0.686	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.1	-10.8	-179.2	-68.5	170	0	0	0	113	L35 Q50	L35-L37 HydrophobicContact CD2-CD2 3.57Å; L35-L37 HydrophobicContact CD2-CG 4.09Å; L35-L37 HydrophobicContact CG-CD2 4.02Å; L35-L37 HydrophobicContact CG-CG 4.22Å; L37-Q50 PolarHBondContact O-NE2 3.39Å
38	E	70.5	Confident	75.8	Confident	149 Å²	149	85 Å²	85	70%	0.696	51%	0.505	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.6	-15.5	-176.3	-61.7	-168.9	168.6	0	0	113.3	D36 Q50	D36-E38 VanDerWaalsContact C-N 3.29Å; D36-E38 PolarHBondContact OD1-N 3.41Å; E38-Q50 VanDerWaalsContact C-NE2 3.29Å; E38-Q50 PolarHBondContact O-NE2 3.09Å
39	K	76.9	Confident	75.4	Confident	50 Å²	50	83.9 Å²	83.9	22%	0.217	51%	0.513	C	S	.	.	S	Bend	trans	-71.1	139.6	179.8	-74.6	178.2	177.1	-179.7	0	112	Q24 H25 D36 Q50	Q24-K39 WeakPolarHBondContact O-CD 3.43Å; Q24-K39 WeakPolarHBondContact O-CE 3.41Å; Q24-K39 PolarHBondContact O-NZ 3.42Å; H25-K39 PolarHBondContact CE1-O 3.44Å; D36-K39 HydrophobicContact CB-CD 4.19Å; D36-K39 HydrophobicContact CB-CG 4.44Å; D36-K39 WeakPolarHBondContact OD2-CE 3.37Å; D36-K39 IonicContact OD2-NZ 3.81Å; K39-Q50 PolarHBondContact O-NE2 2.69Å
40	P	77.9	Confident	75.3	Confident	39 Å²	39	76.5 Å²	76.5	25%	0.253	49%	0.486	S	S	.	.			trans	-67.5	163.8	179	27.5	-33.7	0	0	0	111.7	S23 H25 F52	S23-P40 WeakPolarHBondContact CB-O 3.38Å; S23-P40 PolarHBondContact OG-O 2.75Å; H25-P40 PolarHBondContact NE2-O 3.49Å; P40-F52 HydrophobicContact CB-CE2 4.28Å; P40-F52 HydrophobicContact CB-CZ 3.89Å; P40-F52 HydrophobicContact CG-CZ 4.39Å
41	G	79.2	Confident	74.7	Confident	5 Å²	5	81.3 Å²	81.3	5%	0.052	48%	0.481	C	S	.	.			trans	-72.9	-166.6	171.8	0	0	0	0	0	113.9	G43 G44 E45	G41-G43 PolarHBondContact O-N 3.32Å; G41-G44 PolarHBondContact O-N 3.33Å; G41-G44 VanDerWaalsContact O-N 3.09Å; G41-E45 VanDerWaalsContact CA-O 3.26Å; G41-E45 WeakPolarHBondContact CA-O 3.3Å; G41-E45 PolarHBondContact N-O 3.26Å
42	I	79.5	Confident	74.1	Confident	82 Å²	82	83.3 Å²	83.3	42%	0.421	47%	0.469	S	S	.	.	G	3₁₀ helix	trans	-58.3	127.1	-175.2	-60.6	173.9	0	0	0	110.4	K17 F20 K22 G44	K17-I42 WeakPolarHBondContact CE-O 3.47Å; K17-I42 PolarHBondContact NZ-O 3.15Å; F20-I42 HydrophobicContact CB-CG2 4.4Å; F20-I42 HydrophobicContact CD1-CG2 4.43Å; K22-I42 HydrophobicContact CG-CG1 4.33Å; I42-G44 VanDerWaalsContact C-N 3.3Å; I42-G44 PolarHBondContact O-N 3.39Å
43	G	75.3	Confident	73.7	Confident	13 Å²	13	87 Å²	87	13%	0.134	48%	0.48	C	S	.	.	G	3₁₀ helix	trans	79	7.4	178.8	0	0	0	0	0	115.3	R19 H21 G41	R19-G43 WeakPolarHBondContact O-CA 3.32Å; H21-G43 VanDerWaalsContact CE1-C 3.49Å; H21-G43 PolarHBondContact O-N 3.39Å; G41-G43 PolarHBondContact O-N 3.32Å
44	G	74.4	Confident	73.1	Confident	39 Å²	39	84.5 Å²	84.5	40%	0.402	47%	0.473	S	S	.	.	G	3₁₀ helix	trans	87.6	5	-178.4	0	0	0	0	0	114.3	G41 I42	G41-G44 PolarHBondContact O-N 3.33Å; G41-G44 VanDerWaalsContact O-N 3.09Å; I42-G44 VanDerWaalsContact C-N 3.3Å; I42-G44 PolarHBondContact O-N 3.39Å
45	E	76.5	Confident	72.6	Confident	109 Å²	109	88.4 Å²	88.4	51%	0.509	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-75.7	137.5	174.8	-76.9	167.9	-158.6	0	0	110.8	K17 G41	K17-E45 WeakPolarHBondContact CE-OE1 3.5Å; K17-E45 IonicContact NZ-OE1 3.94Å; K17-E45 PolarHBondContact NZ-OE1 3.16Å; K17-E45 IonicContact NZ-OE2 2.97Å; K17-E45 PolarHBondContact NZ-OE2 3.08Å; G41-E45 VanDerWaalsContact CA-O 3.26Å; G41-E45 WeakPolarHBondContact CA-O 3.3Å; G41-E45 PolarHBondContact N-O 3.26Å
46	P	74.1	Confident	72.5	Confident	82 Å²	82	90.4 Å²	90.4	53%	0.532	49%	0.486	S	S	.	.	P	Polyproline II helix	trans	-62.5	139.3	177	26.3	-33.4	0	0	0	110.9	F52	P46-F52 HydrophobicContact CB-CD2 4.08Å; P46-F52 HydrophobicContact CB-CE2 3.96Å
47	L	76.3	Confident	72.9	Confident	83 Å²	83	88.8 Å²	88.8	44%	0.435	48%	0.478	S	S	.	.	P	Polyproline II helix	trans	-66.8	153	173	-66	171.7	0	0	0	110.5	G49 Q50	L47-G49 PolarHBondContact O-N 3.28Å; L47-G49 VanDerWaalsContact O-N 3.1Å; L47-Q50 HydrophobicContact CB-CB 4.07Å; L47-Q50 VanDerWaalsContact O-CB 3.23Å; L47-Q50 WeakPolarHBondContact O-CB 3.47Å; L47-Q50 PolarHBondContact O-N 2.86Å
48	V	74	Confident	73.2	Confident	160 Å²	160	87 Å²	87	97%	0.97	47%	0.472	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	117.2	177	-178.5	0	0	0	0	109.1
49	G	69.9	Low	73.8	Confident	76 Å²	76	81.7 Å²	81.7	78%	0.784	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	92.8	-6.9	-176.5	0	0	0	0	0	115.4	L47 K51	L47-G49 PolarHBondContact O-N 3.28Å; L47-G49 VanDerWaalsContact O-N 3.1Å; G49-K51 PolarHBondContact O-N 3.28Å
50	Q	71	Confident	73.8	Confident	37 Å²	37	83.8 Å²	83.8	17%	0.173	47%	0.465	C	S	.	.			trans	-77.1	118.4	176.6	-170.1	174.2	30.2	0	0	110.8	L37 E38 K39 L47	L37-Q50 PolarHBondContact O-NE2 3.39Å; E38-Q50 VanDerWaalsContact C-NE2 3.29Å; E38-Q50 PolarHBondContact O-NE2 3.09Å; K39-Q50 PolarHBondContact O-NE2 2.69Å; L47-Q50 HydrophobicContact CB-CB 4.07Å; L47-Q50 VanDerWaalsContact O-CB 3.23Å; L47-Q50 WeakPolarHBondContact O-CB 3.47Å; L47-Q50 PolarHBondContact O-N 2.86Å
51	K	64	Low	73.4	Confident	191 Å²	191	90 Å²	90	83%	0.83	49%	0.488	S	S	*	.			trans	-97	109.2	174	-64.9	-177.6	-178	179.2	0	108.9	G49 L53	G49-K51 PolarHBondContact O-N 3.28Å; K51-L53 PolarHBondContact O-N 3.27Å
52	F	64.4	Low	72.8	Confident	117 Å²	117	92.7 Å²	92.7	51%	0.513	52%	0.516	S	S	.	.			trans	-69.3	118.4	167.8	-89.6	-84.1	0	0	0	109	P40 P46 P54	P40-F52 HydrophobicContact CB-CE2 4.28Å; P40-F52 HydrophobicContact CB-CZ 3.89Å; P40-F52 HydrophobicContact CG-CZ 4.39Å; P46-F52 HydrophobicContact CB-CD2 4.08Å; P46-F52 HydrophobicContact CB-CE2 3.96Å; F52-P54 VanDerWaalsContact O-CD 3.31Å; F52-P54 WeakPolarHBondContact O-CD 3.35Å
53	L	64.1	Low	71.9	Confident	113 Å²	113	99 Å²	99	59%	0.592	54%	0.544	S	S	*	.			trans	-83	109.9	166.6	-69.6	165.2	0	0	0	106.9	K51 K55	K51-L53 PolarHBondContact O-N 3.27Å; L53-K55 PolarHBondContact O-N 3.13Å
54	P	65.6	Low	71.3	Confident	80 Å²	80	101.4 Å²	101.4	52%	0.519	57%	0.569	S	S	.	*			trans	-65.1	129.9	-179.6	28.8	-34.5	0	0	0	108.9	F52 Y56 V58	F52-P54 VanDerWaalsContact O-CD 3.31Å; F52-P54 WeakPolarHBondContact O-CD 3.35Å; P54-Y56 WeakPolarHBondContact CB-O 3.24Å; P54-Y56 PolarHBondContact O-N 3.47Å; P54-V58 HydrophobicContact CB-CG2 3.52Å; P54-V58 HydrophobicContact CG-CG2 3.87Å
55	K	68.7	Low	71	Confident	169 Å²	169	104 Å²	104	74%	0.735	58%	0.581	S	S	*	*	S	Bend	trans	-68.1	-17.9	177.8	-70.6	-174.3	179.4	-177.2	0	112.6	L53 R134	L53-K55 PolarHBondContact O-N 3.13Å; K55-R134 PolarHBondContact O-NH2 2.84Å
56	Y	77.4	Confident	70.6	Confident	127 Å²	127	104.5 Å²	104.5	50%	0.498	59%	0.587	S	S	.	*	S	Bend	trans	-132.2	166.6	-178.8	-63.3	-77.3	0	0	0	110.6	P54 V58 D110	P54-Y56 WeakPolarHBondContact CB-O 3.24Å; P54-Y56 PolarHBondContact O-N 3.47Å; Y56-V58 PolarHBondContact O-N 3.22Å; Y56-D110 WeakPolarHBondContact CA-OD2 3.38Å; Y56-D110 WeakPolarHBondContact CB-OD2 2.88Å
57	S	79.7	Confident	71	Confident	13 Å²	13	105.4 Å²	105.4	9%	0.091	59%	0.587	C	S	.	*			trans	-54.7	129.8	169.5	54.4	0	0	0	0	111	Y59 D110 N147	S57-Y59 WeakPolarHBondContact OG-CE2 3.37Å; S57-Y59 PolarHBondContact OG-OH 3.48Å; S57-D110 WeakPolarHBondContact CB-OD1 2.98Å; S57-D110 PolarHBondContact N-OD2 2.63Å; S57-D110 VanDerWaalsContact OG-CG 3.3Å; S57-D110 PolarHBondContact OG-OD1 3.44Å; S57-D110 PolarHBondContact OG-OD2 3.24Å; S57-N147 WeakPolarHBondContact CA-OD1 3.38Å; S57-N147 WeakPolarHBondContact CB-OD1 3.5Å
58	V	78.6	Confident	71.4	Confident	93 Å²	93	104.6 Å²	104.6	56%	0.564	59%	0.587	S	S	*	*			trans	-104.6	115.9	175.9	-177.6	0	0	0	0	107.5	P54 Y56	P54-V58 HydrophobicContact CB-CG2 3.52Å; P54-V58 HydrophobicContact CG-CG2 3.87Å; Y56-V58 PolarHBondContact O-N 3.22Å
59	Y	81.6	Confident	71.8	Confident	37 Å²	37	99 Å²	99	15%	0.145	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-95.6	144.2	177.5	-57.6	-75	0	0	0	110.3	S57 F73 L107 V148 F176 L180	S57-Y59 WeakPolarHBondContact OG-CE2 3.37Å; S57-Y59 PolarHBondContact OG-OH 3.48Å; Y59-F73 HydrophobicContact CD1-CE2 4.48Å; Y59-F73 HydrophobicContact CD1-CZ 4.41Å; Y59-F73 HydrophobicContact CD2-CD2 4.32Å; Y59-F73 AromaticContact CD2-CE2 3.46Å; Y59-F73 HydrophobicContact CD2-CE2 3.46Å; Y59-F73 VanDerWaalsContact CD2-CE2 3.46Å; Y59-F73 HydrophobicContact CD2-CZ 4.1Å; Y59-F73 HydrophobicContact CE2-CD2 4.02Å; Y59-F73 AromaticContact CE2-CE2 3.58Å; Y59-F73 HydrophobicContact CE2-CE2 3.58Å; Y59-F73 HydrophobicContact CE2-CZ 4.39Å; Y59-F73 AromaticContact CG-CE2 3.93Å; Y59-F73 HydrophobicContact CG-CE2 3.93Å; Y59-F73 HydrophobicContact CG-CZ 4.09Å; Y59-L107 HydrophobicContact CE1-CD2 4.3Å; Y59-L107 VanDerWaalsContact OH-CD2 3.24Å; Y59-L107 WeakPolarHBondContact OH-CD2 3.49Å; Y59-V148 HydrophobicContact CE1-CG2 4.25Å; Y59-F176 HydrophobicContact CD1-CZ 4.38Å; Y59-F176 HydrophobicContact CE1-CE1 4.25Å; Y59-F176 AromaticContact CE1-CZ 3.91Å; Y59-F176 HydrophobicContact CE1-CZ 3.91Å; Y59-L180 HydrophobicContact CD1-CD1 4.18Å; Y59-L180 HydrophobicContact CD1-CD2 3.85Å; Y59-L180 HydrophobicContact CE1-CD1 4.12Å
60	P	77.7	Confident	72.5	Confident	95 Å²	95	103.2 Å²	103.2	62%	0.617	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-62.2	140.5	176.4	26.4	-33.3	0	0	0	110.4	G62 L180	P60-G62 PolarHBondContact O-N 2.92Å; P60-L180 HydrophobicContact CG-CD2 4.19Å
61	K	69.5	Low	73.3	Confident	168 Å²	168	104.1 Å²	104.1	73%	0.73	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-69.2	118.1	177	-66.3	-170.1	166.5	-143.5	0	109.8	D66	K61-D66 IonicContact NZ-OD1 3.75Å; K61-D66 IonicContact NZ-OD2 3.46Å; K61-D66 PolarHBondContact NZ-OD2 2.98Å
62	G	66.6	Low	74.4	Confident	63 Å²	63	97 Å²	97	65%	0.649	53%	0.532	S	S	*	.			trans	-89.1	177.3	174.5	0	0	0	0	0	112.8	P60 G64	P60-G62 PolarHBondContact O-N 2.92Å; G62-G64 PolarHBondContact O-N 2.86Å
63	E	60	Low	75.5	Confident	213 Å²	213	93.2 Å²	93.2	100%	0.995	52%	0.515	S	S	*	.	S	Bend	trans	-73.3	100.6	168.7	-68.8	-179.1	169.2	0	0	109.2
64	G	64	Low	76.7	Confident	64 Å²	64	91.6 Å²	91.6	66%	0.66	51%	0.507	S	S	*	.	S	Bend	trans	168.9	-174	-178.3	0	0	0	0	0	114.3	G62	G62-G64 PolarHBondContact O-N 2.86Å
65	S	66.6	Low	77.8	Confident	95 Å²	95	96 Å²	96	66%	0.664	52%	0.518	S	S	*	.			trans	-74.4	132.2	173	47.2	0	0	0	0	111	L67	S65-L67 PolarHBondContact O-N 3.2Å
66	D	69.2	Low	78.8	Confident	119 Å²	119	91.4 Å²	91.4	64%	0.636	50%	0.499	S	S	*	.			trans	-68.8	75.8	174.5	-82.7	-8	0	0	0	110.1	K61	K61-D66 IonicContact NZ-OD1 3.75Å; K61-D66 IonicContact NZ-OD2 3.46Å; K61-D66 PolarHBondContact NZ-OD2 2.98Å
67	L	82.9	Confident	79.6	Confident	100 Å²	100	87.2 Å²	87.2	52%	0.524	49%	0.487	S	S	.	.			trans	-79.7	145.5	172.9	-71.1	168.7	0	0	0	110.7	S65 A72	S65-L67 PolarHBondContact O-N 3.2Å; L67-A72 HydrophobicContact CB-CB 4.37Å
68	P	84.6	Confident	80.3	Confident	66 Å²	66	86.6 Å²	86.6	43%	0.429	48%	0.483	S	S	.	.			trans	-58.7	149.3	172.2	-23.8	34.3	0	0	0	112.6	W70 V71 A72	P68-W70 VanDerWaalsContact C-N 3.31Å; P68-W70 HydrophobicContact CB-CG 4.43Å; P68-W70 VanDerWaalsContact CB-NE1 3.3Å; P68-W70 PolarHBondContact O-N 3.48Å; P68-V71 HydrophobicContact CB-CG2 4.5Å; P68-V71 PolarHBondContact O-N 2.79Å; P68-A72 WeakPolarHBondContact O-CB 3.42Å; P68-A72 PolarHBondContact O-N 3.24Å
69	S	82.4	Confident	81.2	Confident	43 Å²	43	85.4 Å²	85.4	30%	0.301	47%	0.468	S	S	.	.	H	α-helix	trans	-54.3	-42.2	-177.2	55.3	0	0	0	0	113.7	V71 A72 F73 E108	S69-V71 PolarHBondContact O-N 3.02Å; S69-A72 PolarHBondContact O-N 3.48Å; S69-F73 WeakPolarHBondContact O-CD2 3.47Å; S69-F73 PolarHBondContact O-N 3Å; S69-E108 PolarHBondContact OG-O 2.96Å
70	W	84.5	Confident	81.8	Confident	164 Å²	164	83.7 Å²	83.7	62%	0.621	46%	0.461	S	S	*	.	H	α-helix	trans	-65.9	-23.8	179.7	65.2	-93	0	0	0	113.7	P68 E108	P68-W70 VanDerWaalsContact C-N 3.31Å; P68-W70 HydrophobicContact CB-CG 4.43Å; P68-W70 VanDerWaalsContact CB-NE1 3.3Å; P68-W70 PolarHBondContact O-N 3.48Å; W70-E108 HydrophobicContact CB-CB 4.49Å
71	V	88.5	Confident	82.7	Confident	57 Å²	57	81.4 Å²	81.4	35%	0.345	44%	0.444	S	S	.	.	H	α-helix	trans	-88	-45.4	172.6	-177.2	0	0	0	0	110.3	P68 S69 F73	P68-V71 HydrophobicContact CB-CG2 4.5Å; P68-V71 PolarHBondContact O-N 2.79Å; S69-V71 PolarHBondContact O-N 3.02Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 2.85Å
72	A	86.4	Confident	83.9	Confident	41 Å²	41	73.5 Å²	73.5	34%	0.339	41%	0.41	S	S	.	.	H	α-helix	trans	-64.6	-34.7	-173.9	0	0	0	0	0	112.4	L67 P68 S69	L67-A72 HydrophobicContact CB-CB 4.37Å; P68-A72 WeakPolarHBondContact O-CB 3.42Å; P68-A72 PolarHBondContact O-N 3.24Å; S69-A72 PolarHBondContact O-N 3.48Å
73	F	87.2	Confident	85.2	Confident	37 Å²	37	71.7 Å²	71.7	16%	0.162	38%	0.384	C	S	.	.	T	Hydrogen-bonded Turn	trans	-115.7	23.9	-175.9	-55.1	-65.8	0	0	0	113.5	Y59 S69 V71 K75 Q76 L107 F176	Y59-F73 HydrophobicContact CD1-CE2 4.48Å; Y59-F73 HydrophobicContact CD1-CZ 4.41Å; Y59-F73 HydrophobicContact CD2-CD2 4.32Å; Y59-F73 AromaticContact CD2-CE2 3.46Å; Y59-F73 HydrophobicContact CD2-CE2 3.46Å; Y59-F73 VanDerWaalsContact CD2-CE2 3.46Å; Y59-F73 HydrophobicContact CD2-CZ 4.1Å; Y59-F73 HydrophobicContact CE2-CD2 4.02Å; Y59-F73 AromaticContact CE2-CE2 3.58Å; Y59-F73 HydrophobicContact CE2-CE2 3.58Å; Y59-F73 HydrophobicContact CE2-CZ 4.39Å; Y59-F73 AromaticContact CG-CE2 3.93Å; Y59-F73 HydrophobicContact CG-CE2 3.93Å; Y59-F73 HydrophobicContact CG-CZ 4.09Å; S69-F73 WeakPolarHBondContact O-CD2 3.47Å; S69-F73 PolarHBondContact O-N 3Å; V71-F73 VanDerWaalsContact C-N 3.29Å; V71-F73 PolarHBondContact O-N 2.85Å; F73-K75 PolarHBondContact O-N 3.16Å; F73-Q76 HydrophobicContact CB-CB 4.38Å; F73-Q76 WeakPolarHBondContact O-CB 3.25Å; F73-Q76 PolarHBondContact O-N 2.67Å; F73-L107 HydrophobicContact CB-CB 3.58Å; F73-L107 HydrophobicContact CD1-CB 4.47Å; F73-L107 HydrophobicContact CD1-CD1 4.31Å; F73-L107 HydrophobicContact CD2-CB 4.41Å; F73-L107 HydrophobicContact CG-CB 3.93Å; F73-F176 HydrophobicContact CD1-CE2 4.44Å; F73-F176 AromaticContact CE1-CE2 3.96Å; F73-F176 HydrophobicContact CE1-CE2 3.96Å; F73-F176 HydrophobicContact CE1-CZ 4.31Å
74	D	88.9	Confident	86.7	Confident	80 Å²	80	61.9 Å²	61.9	43%	0.428	34%	0.338	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.4	131.1	174.2	179.7	36.3	0	0	0	110.4	Q76	D74-Q76 PolarHBondContact O-N 3.49Å
75	K	88.1	Confident	88	Confident	172 Å²	172	64.2 Å²	64.2	75%	0.748	33%	0.33	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	4	-177.8	-60.2	163.3	-167.5	170.3	0	116.1	F73	F73-K75 PolarHBondContact O-N 3.16Å
76	Q	91.2	Very high	88.9	Confident	72 Å²	72	62.1 Å²	62.1	34%	0.336	31%	0.31	S	S	.	.			trans	-85.9	124.4	173.9	-61.5	-173.8	22.1	0	0	109.8	F73 D74 L107 F172	F73-Q76 HydrophobicContact CB-CB 4.38Å; F73-Q76 WeakPolarHBondContact O-CB 3.25Å; F73-Q76 PolarHBondContact O-N 2.67Å; D74-Q76 PolarHBondContact O-N 3.49Å; Q76-L107 HydrophobicContact CB-CD1 3.98Å; Q76-L107 PolarHBondContact O-N 3.09Å; Q76-F172 HydrophobicContact CB-CZ 4.12Å; Q76-F172 HydrophobicContact CG-CZ 4.41Å
77	T	93.7	Very high	89.6	Confident	40 Å²	40	60 Å²	60	25%	0.245	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133	137.6	-176.8	60.1	0	0	0	0	110.5	F105 Y106 F172	T77-F105 CarbonylContact C-O 3.49Å; T77-F105 WeakPolarHBondContact CA-O 3.32Å; T77-Y106 HydrophobicContact CG2-CD1 3.26Å; T77-Y106 HydrophobicContact CG2-CE1 3.39Å; T77-Y106 HydrophobicContact CG2-CG 3.98Å; T77-F172 WeakPolarHBondContact O-CD1 3.28Å; T77-F172 WeakPolarHBondContact O-CE1 3.49Å
78	L	94.9	Very high	89.3	Confident	0 Å²	0	59.1 Å²	59.1	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	123	170.1	-55.1	-179.5	0	0	0	109.3	F80 F104 F105 L107 V148 F172 T173 F176 L177	L78-F80 HydrophobicContact CB-CE2 3.75Å; L78-F80 HydrophobicContact CB-CZ 4.21Å; L78-F80 HydrophobicContact CD1-CE2 4.49Å; L78-F80 HydrophobicContact CD1-CZ 4.41Å; L78-F104 CarbonylContact O-C 3.58Å; L78-F104 VanDerWaalsContact O-CA 3.3Å; L78-F104 WeakPolarHBondContact O-CA 3.19Å; L78-F105 HydrophobicContact CB-CB 4.2Å; L78-F105 HydrophobicContact CD1-CD1 4.23Å; L78-F105 PolarHBondContact N-O 2.66Å; L78-F105 PolarHBondContact O-N 3.28Å; L78-L107 HydrophobicContact CD1-CD2 3.84Å; L78-L107 HydrophobicContact CD2-CD1 4.19Å; L78-L107 HydrophobicContact CG-CD1 4.25Å; L78-L107 HydrophobicContact CG-CD2 3.9Å; L78-L107 HydrophobicContact CG-CG 4.11Å; L78-V148 HydrophobicContact CD1-CG1 3.93Å; L78-F172 HydrophobicContact CD2-CD1 4.25Å; L78-F172 HydrophobicContact CD2-CE1 3.91Å; L78-T173 HydrophobicContact CB-CG2 3.69Å; L78-T173 HydrophobicContact CD2-CG2 3.72Å; L78-T173 HydrophobicContact CG-CG2 4.32Å; L78-F176 HydrophobicContact CD1-CD1 4.01Å; L78-F176 HydrophobicContact CD1-CE1 4.16Å; L78-F176 HydrophobicContact CD2-CB 3.99Å; L78-F176 HydrophobicContact CD2-CD1 3.56Å; L78-F176 HydrophobicContact CD2-CE1 4.22Å; L78-F176 HydrophobicContact CD2-CG 3.9Å; L78-F176 HydrophobicContact CG-CD1 4.32Å; L78-L177 HydrophobicContact CD1-CD2 4.19Å
79	R	96.6	Very high	88.6	Confident	68 Å²	68	65.9 Å²	65.9	26%	0.257	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	125.5	175.5	-179.8	-175.4	159.7	-158.9	-16.6	111.3	D81 I103 F104 D170 T173	R79-D81 IonicContact CZ-OD1 3.57Å; R79-D81 IonicContact NE-OD1 3.03Å; R79-D81 PolarHBondContact NE-OD1 3.28Å; R79-D81 IonicContact NH2-OD1 2.62Å; R79-D81 PolarHBondContact NH2-OD1 3.25Å; R79-D81 IonicContact NH2-OD2 3.93Å; R79-I103 WeakPolarHBondContact CA-O 3.26Å; R79-F104 HydrophobicContact CB-CD1 4.02Å; R79-F104 HydrophobicContact CB-CE1 3.99Å; R79-F104 HydrophobicContact CG-CD1 4.1Å; R79-F104 HydrophobicContact CG-CE1 3.7Å; R79-F104 HydrophobicContact CG-CZ 4.29Å; R79-D170 HydrophobicContact CB-CB 4.21Å; R79-D170 PolarHBondContact O-N 2.99Å; R79-D170 VanDerWaalsContact O-N 3.12Å; R79-T173 WeakPolarHBondContact O-CG2 3.36Å
80	F	95.4	Very high	87.7	Confident	0 Å²	0	71.3 Å²	71.3	0%	0	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	136.7	172.5	-57.3	-87.6	0	0	0	109.7	L78 K102 I103 F151 V166 C169 L177	L78-F80 HydrophobicContact CB-CE2 3.75Å; L78-F80 HydrophobicContact CB-CZ 4.21Å; L78-F80 HydrophobicContact CD1-CE2 4.49Å; L78-F80 HydrophobicContact CD1-CZ 4.41Å; F80-K102 CarbonylContact O-C 3.57Å; F80-K102 WeakPolarHBondContact O-CA 3.28Å; F80-I103 HydrophobicContact CB-CB 4.32Å; F80-I103 PolarHBondContact N-O 3.22Å; F80-I103 PolarHBondContact O-N 3.09Å; F80-F151 HydrophobicContact CD2-CD1 4.02Å; F80-F151 HydrophobicContact CD2-CG 4.5Å; F80-F151 HydrophobicContact CE1-CB 4.03Å; F80-F151 HydrophobicContact CE2-CB 3.97Å; F80-F151 AromaticContact CE2-CD1 3.91Å; F80-F151 HydrophobicContact CE2-CD1 3.91Å; F80-F151 AromaticContact CE2-CG 3.93Å; F80-F151 HydrophobicContact CE2-CG 3.93Å; F80-F151 HydrophobicContact CZ-CB 3.59Å; F80-F151 HydrophobicContact CZ-CD1 4.35Å; F80-F151 HydrophobicContact CZ-CG 4.09Å; F80-V166 HydrophobicContact CB-CG1 3.96Å; F80-V166 HydrophobicContact CD1-CG1 3.94Å; F80-V166 HydrophobicContact CG-CG1 4.32Å; F80-C169 HydrophobicContact CD1-CB 3.53Å; F80-C169 HydrophobicContact CE1-CB 3.94Å; F80-C169 HydrophobicContact CG-CB 4.4Å; F80-L177 HydrophobicContact CE1-CD1 3.85Å; F80-L177 HydrophobicContact CZ-CD1 3.91Å
81	D	95.4	Very high	86.7	Confident	47 Å²	47	65.5 Å²	65.5	25%	0.251	33%	0.327	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.7	132.3	168	-65	-29.5	0	0	0	107.6	R79 T167 D168	R79-D81 IonicContact CZ-OD1 3.57Å; R79-D81 IonicContact NE-OD1 3.03Å; R79-D81 PolarHBondContact NE-OD1 3.28Å; R79-D81 IonicContact NH2-OD1 2.62Å; R79-D81 PolarHBondContact NH2-OD1 3.25Å; R79-D81 IonicContact NH2-OD2 3.93Å; D81-T167 PolarHBondContact O-N 3.13Å; D81-T167 PolarHBondContact O-OG1 3Å; D81-D168 PolarHBondContact N-O 3.47Å; D81-D168 PolarHBondContact O-N 2.86Å
82	A	95.1	Very high	85.5	Confident	3 Å²	3	73.2 Å²	73.2	3%	0.025	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.3	169.7	-174.5	0	0	0	0	0	110.7	K100 C101 I103 T165 V166	A82-K100 CarbonylContact O-C 3.55Å; A82-C101 PolarHBondContact N-O 3.03Å; A82-C101 PolarHBondContact O-N 2.67Å; A82-I103 HydrophobicContact CB-CD1 3.6Å; A82-I103 HydrophobicContact CB-CG1 4.12Å; A82-T165 CarbonylContact C-O 3.57Å; A82-T165 WeakPolarHBondContact CA-O 3.35Å; A82-T165 WeakPolarHBondContact CB-O 3.39Å; A82-V166 HydrophobicContact CB-CG2 4.5Å
83	Y	93.8	Very high	84.3	Confident	25 Å²	25	75.7 Å²	75.7	10%	0.098	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.3	161.5	165.2	70.1	-89.9	0	0	0	110.3	K85 I98 R99 F164 T165 T167 V190 P191	Y83-K85 HydrophobicContact CD2-CG 4.43Å; Y83-K85 HydrophobicContact CE2-CG 4.1Å; Y83-I98 HydrophobicContact CD2-CG2 3.66Å; Y83-I98 HydrophobicContact CE2-CG2 4.47Å; Y83-I98 HydrophobicContact CG-CG2 3.92Å; Y83-R99 VanDerWaalsContact CA-O 3.26Å; Y83-R99 WeakPolarHBondContact CA-O 2.94Å; Y83-F164 WeakPolarHBondContact O-CA 3.17Å; Y83-T165 WeakPolarHBondContact CD1-OG1 3.11Å; Y83-T165 WeakPolarHBondContact CD2-OG1 3.24Å; Y83-T165 WeakPolarHBondContact CE1-OG1 3.49Å; Y83-T165 HydrophobicContact CE2-CG2 4.47Å; Y83-T165 VanDerWaalsContact CE2-OG1 3.24Å; Y83-T165 WeakPolarHBondContact CE2-OG1 2.99Å; Y83-T165 PolarHBondContact N-O 3.18Å; Y83-T165 PolarHBondContact O-N 3.5Å; Y83-T165 PolarHBondContact O-OG1 3.41Å; Y83-T165 VanDerWaalsContact O-OG1 3.11Å; Y83-T167 HydrophobicContact CD1-CG2 3.37Å; Y83-T167 HydrophobicContact CE1-CG2 3.45Å; Y83-T167 VanDerWaalsContact CE1-CG2 3.45Å; Y83-V190 HydrophobicContact CD1-CB 4.35Å; Y83-V190 HydrophobicContact CD1-CG1 3.85Å; Y83-V190 HydrophobicContact CD1-CG2 4.17Å; Y83-V190 HydrophobicContact CE1-CG1 4.38Å; Y83-V190 HydrophobicContact CG-CG1 4.08Å; Y83-P191 HydrophobicContact CE1-CG 4.29Å; Y83-P191 HydrophobicContact CE2-CG 4.01Å; Y83-P191 VanDerWaalsContact OH-CD 3.32Å; Y83-P191 WeakPolarHBondContact OH-CD 3.5Å; Y83-P191 VanDerWaalsContact OH-CG 3.28Å; Y83-P191 WeakPolarHBondContact OH-CG 3.38Å
84	F	92.5	Very high	83.3	Confident	7 Å²	7	75.4 Å²	75.4	3%	0.031	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	153	165.2	71.9	-82.5	0	0	0	109.7	E86 R99 C101 L129 T163 F164	F84-E86 HydrophobicContact CE2-CB 4.1Å; F84-R99 HydrophobicContact CD1-CB 4Å; F84-R99 HydrophobicContact CE1-CB 3.49Å; F84-R99 VanDerWaalsContact CE1-CB 3.49Å; F84-R99 HydrophobicContact CE1-CG 4.47Å; F84-R99 HydrophobicContact CE2-CB 4.38Å; F84-R99 HydrophobicContact CZ-CB 3.72Å; F84-R99 HydrophobicContact CZ-CG 4.24Å; F84-R99 PolarHBondContact N-O 3.16Å; F84-R99 PolarHBondContact O-N 2.96Å; F84-C101 VanDerWaalsContact CD1-SG 3.59Å; F84-C101 VanDerWaalsContact CE1-SG 3.54Å; F84-L129 HydrophobicContact CE1-CD1 3.94Å; F84-T163 WeakPolarHBondContact CB-O 3.24Å; F84-F164 HydrophobicContact CB-CD1 3.96Å; F84-F164 HydrophobicContact CB-CE1 4.13Å; F84-F164 HydrophobicContact CB-CG 4.42Å; F84-F164 AromaticContact CD1-CD1 3.97Å; F84-F164 HydrophobicContact CD1-CD1 3.97Å; F84-F164 AromaticContact CD1-CE1 3.43Å; F84-F164 HydrophobicContact CD1-CE1 3.43Å; F84-F164 VanDerWaalsContact CD1-CE1 3.43Å; F84-F164 HydrophobicContact CD1-CZ 4.15Å; F84-F164 HydrophobicContact CE1-CE1 4.1Å; F84-F164 HydrophobicContact CG-CD1 4.34Å; F84-F164 HydrophobicContact CG-CE1 4.01Å
85	K	89.4	Confident	82.5	Confident	112 Å²	112	76.9 Å²	76.9	49%	0.487	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	123	177.3	-63.1	-178.5	-179	-178.9	0	108.6	Y83	Y83-K85 HydrophobicContact CD2-CG 4.43Å; Y83-K85 HydrophobicContact CE2-CG 4.1Å
86	E	87	Confident	82.1	Confident	51 Å²	51	71.7 Å²	71.7	24%	0.238	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.2	117.3	175	-171.5	160.7	-151.8	0	0	108.1	F84 H96 R97 R99	F84-E86 HydrophobicContact CE2-CB 4.1Å; E86-H96 WeakPolarHBondContact O-CA 3.47Å; E86-R97 PolarHBondContact N-O 2.85Å; E86-R97 PolarHBondContact O-N 2.64Å; E86-R99 IonicContact OE1-NH1 3.79Å; E86-R99 WeakPolarHBondContact OE2-CD 3.19Å; E86-R99 IonicContact OE2-CZ 2.86Å; E86-R99 IonicContact OE2-NE 3.56Å; E86-R99 IonicContact OE2-NH1 2.56Å; E86-R99 PolarHBondContact OE2-NH1 2.73Å
87	P	83	Confident	81.8	Confident	74 Å²	74	69.9 Å²	69.9	48%	0.481	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72	131.1	176.1	28.9	-32.2	0	0	0	109.8	Y89	P87-Y89 HydrophobicContact CB-CE2 4.28Å; P87-Y89 HydrophobicContact CG-CE2 4.24Å
88	E	76.3	Confident	81.6	Confident	82 Å²	82	68.6 Å²	68.6	38%	0.383	34%	0.338	S	S	.	.			trans	-109.6	127.3	177.3	-167.1	67.4	-135	0	0	108.5	A91	E88-A91 HydrophobicContact CG-CB 3.82Å
89	Y	69.6	Low	81.3	Confident	208 Å²	208	69.6 Å²	69.6	82%	0.816	34%	0.341	S	S	*	.	S	Bend	trans	-100.3	-18.3	-173	-64.1	-81.4	0	0	0	113.7	P87	P87-Y89 HydrophobicContact CB-CE2 4.28Å; P87-Y89 HydrophobicContact CG-CE2 4.24Å
90	D	64.8	Low	81.1	Confident	158 Å²	158	71.2 Å²	71.2	85%	0.845	35%	0.35	S	S	*	.	S	Bend	trans	-117.7	7.1	-166.2	-130.9	0.6	0	0	0	114
91	A	62	Low	81	Confident	42 Å²	42	71.4 Å²	71.4	35%	0.347	35%	0.351	S	S	.	.			trans	-90.6	133.3	-176.5	0	0	0	0	0	112.8	E88 V93 E94	E88-A91 HydrophobicContact CG-CB 3.82Å; A91-V93 PolarHBondContact O-N 2.98Å; A91-E94 HydrophobicContact CB-CB 4.09Å
92	K	63.2	Low	81	Confident	218 Å²	218	72.1 Å²	72.1	95%	0.948	35%	0.352	S	S	*	.	S	Bend	trans	-67.2	-16.6	173.6	-69.5	-178	179	178.4	0	113.9
93	V	62.9	Low	81.1	Confident	94 Å²	94	72 Å²	72	57%	0.57	35%	0.351	S	S	*	.	S	Bend	trans	-121.1	-27.3	-166.8	-178.2	0	0	0	0	112.7	A91 L198	A91-V93 PolarHBondContact O-N 2.98Å; V93-L198 HydrophobicContact CG1-CD1 3.55Å
94	E	64.9	Low	81.2	Confident	31 Å²	31	72.6 Å²	72.6	15%	0.145	35%	0.354	C	S	.	.			trans	-123.5	137.4	-167.4	-71.8	158.4	-134.6	0	0	112	A91 Y195	A91-E94 HydrophobicContact CB-CB 4.09Å; E94-Y195 VanDerWaalsContact OE1-CB 3.28Å; E94-Y195 WeakPolarHBondContact OE1-CB 3.39Å; E94-Y195 WeakPolarHBondContact OE1-CD2 3.4Å
95	T	73.1	Confident	81.4	Confident	111 Å²	111	72.3 Å²	72.3	68%	0.681	35%	0.353	S	S	*	.	S	Bend	trans	-96.6	-25.5	171.6	52.5	0	0	0	0	112.5
96	H	79.6	Confident	81.6	Confident	63 Å²	63	68.9 Å²	68.9	29%	0.292	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160	146.6	179.2	60.7	-67.9	0	0	0	109.9	E86	E86-H96 WeakPolarHBondContact O-CA 3.47Å
97	R	84.6	Confident	81.8	Confident	34 Å²	34	66.5 Å²	66.5	13%	0.128	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	142.9	176.7	-175.5	173.3	178.6	164.6	-0.1	110.7	E86 S122 L124	E86-R97 PolarHBondContact N-O 2.85Å; E86-R97 PolarHBondContact O-N 2.64Å; R97-S122 PolarHBondContact NH2-O 2.99Å; R97-S122 VanDerWaalsContact NH2-O 3.16Å; R97-L124 VanDerWaalsContact NH1-CD1 3.27Å; R97-L124 VanDerWaalsContact NH2-CD1 3.32Å
98	I	88.9	Confident	82.2	Confident	13 Å²	13	64.8 Å²	64.8	7%	0.067	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	117.6	178.8	-60.7	172.3	0	0	0	109.4	Y83 V190 P191 D193	Y83-I98 HydrophobicContact CD2-CG2 3.66Å; Y83-I98 HydrophobicContact CE2-CG2 4.47Å; Y83-I98 HydrophobicContact CG-CG2 3.92Å; I98-V190 HydrophobicContact CG2-CG1 3.84Å; I98-P191 HydrophobicContact CD1-CB 3.68Å; I98-P191 HydrophobicContact CD1-CG 4.28Å; I98-P191 WeakPolarHBondContact CD1-O 3.32Å; I98-D193 HydrophobicContact CB-CB 4.26Å; I98-D193 HydrophobicContact CD1-CB 4.35Å
99	R	89.6	Confident	82.8	Confident	21 Å²	21	63.1 Å²	63.1	8%	0.079	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	111	177.5	-71.1	178.4	74.8	168.3	7.3	110.6	Y83 F84 E86 E116 P125	Y83-R99 VanDerWaalsContact CA-O 3.26Å; Y83-R99 WeakPolarHBondContact CA-O 2.94Å; F84-R99 HydrophobicContact CD1-CB 4Å; F84-R99 HydrophobicContact CE1-CB 3.49Å; F84-R99 VanDerWaalsContact CE1-CB 3.49Å; F84-R99 HydrophobicContact CE1-CG 4.47Å; F84-R99 HydrophobicContact CE2-CB 4.38Å; F84-R99 HydrophobicContact CZ-CB 3.72Å; F84-R99 HydrophobicContact CZ-CG 4.24Å; F84-R99 PolarHBondContact N-O 3.16Å; F84-R99 PolarHBondContact O-N 2.96Å; E86-R99 IonicContact OE1-NH1 3.79Å; E86-R99 WeakPolarHBondContact OE2-CD 3.19Å; E86-R99 IonicContact OE2-CZ 2.86Å; E86-R99 IonicContact OE2-NE 3.56Å; E86-R99 IonicContact OE2-NH1 2.56Å; E86-R99 PolarHBondContact OE2-NH1 2.73Å; R99-E116 IonicContact CZ-OE1 3.7Å; R99-E116 IonicContact CZ-OE2 2.66Å; R99-E116 VanDerWaalsContact CZ-OE2 3.26Å; R99-E116 IonicContact NE-OE1 2.73Å; R99-E116 PolarHBondContact NE-OE1 2.87Å; R99-E116 IonicContact NE-OE2 3.32Å; R99-E116 PolarHBondContact NE-OE2 3Å; R99-E116 VanDerWaalsContact NE-OE2 3.16Å; R99-E116 IonicContact NH2-OE1 3.09Å; R99-E116 IonicContact NH2-OE2 3.54Å; R99-E116 PolarHBondContact NH2-OE2 3.26Å; R99-P125 PolarHBondContact NH2-O 2.85Å
100	K	91.8	Very high	83.8	Confident	101 Å²	101	53.5 Å²	53.5	44%	0.439	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	136.2	176.6	-61.9	179.2	-177.7	178	0	109.1	A82 P117 V190	A82-K100 CarbonylContact O-C 3.55Å; K100-P117 VanDerWaalsContact O-CD 3.24Å; K100-P117 WeakPolarHBondContact O-CD 3.01Å; K100-V190 HydrophobicContact CG-CG1 4.41Å
101	C	93.8	Very high	85.2	Confident	4 Å²	4	46.4 Å²	46.4	3%	0.027	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-138.7	160.4	-176.4	-60.8	0	0	0	0	110.5	A82 F84 V114 I115 L129 F164	A82-C101 PolarHBondContact N-O 3.03Å; A82-C101 PolarHBondContact O-N 2.67Å; F84-C101 VanDerWaalsContact CD1-SG 3.59Å; F84-C101 VanDerWaalsContact CE1-SG 3.54Å; C101-V114 HydrophobicContact CB-CG1 4.03Å; C101-I115 CarbonylContact C-O 3.59Å; C101-L129 HydrophobicContact CB-CD1 4.43Å; C101-L129 WeakPolarHBondContact SG-CD1 3.37Å; C101-F164 HydrophobicContact CB-CE1 4.38Å
102	K	95.9	Very high	86.8	Confident	63 Å²	63	44.4 Å²	44.4	27%	0.274	21%	0.214	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	124	170.7	-62	-176.6	178.1	-173.6	0	108.2	F80 F104 V114 I115	F80-K102 CarbonylContact O-C 3.57Å; F80-K102 WeakPolarHBondContact O-CA 3.28Å; K102-F104 HydrophobicContact CB-CE2 3.88Å; K102-F104 HydrophobicContact CB-CZ 4.18Å; K102-V114 WeakPolarHBondContact O-CA 3.24Å; K102-I115 PolarHBondContact N-O 3.47Å; K102-I115 PolarHBondContact O-N 3.23Å
103	I	96.5	Very high	88.4	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	122.5	176.2	-56.2	167	0	0	0	107.4	R79 F80 A82 I112 V114 F151 F159 F164 V166	R79-I103 WeakPolarHBondContact CA-O 3.26Å; F80-I103 HydrophobicContact CB-CB 4.32Å; F80-I103 PolarHBondContact N-O 3.22Å; F80-I103 PolarHBondContact O-N 3.09Å; A82-I103 HydrophobicContact CB-CD1 3.6Å; A82-I103 HydrophobicContact CB-CG1 4.12Å; I103-I112 HydrophobicContact CG2-CG2 3.89Å; I103-V114 HydrophobicContact CG1-CG1 4.31Å; I103-V114 HydrophobicContact CG1-CG2 4.12Å; I103-V114 HydrophobicContact CG2-CG2 4.33Å; I103-F151 HydrophobicContact CG2-CE1 4Å; I103-F159 HydrophobicContact CD1-CE2 3.88Å; I103-F159 HydrophobicContact CG1-CE2 4.2Å; I103-F159 HydrophobicContact CG2-CE2 4.01Å; I103-F159 HydrophobicContact CG2-CZ 4.23Å; I103-F164 HydrophobicContact CD1-CB 4.15Å; I103-V166 HydrophobicContact CD1-CG2 4.29Å
104	F	96.6	Very high	90	Very high	38 Å²	38	30.7 Å²	30.7	17%	0.167	15%	0.147	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	128.8	173.1	-61.2	-84.8	0	0	0	109.1	L78 R79 K102 Y106 I112 H113 I115	L78-F104 CarbonylContact O-C 3.58Å; L78-F104 VanDerWaalsContact O-CA 3.3Å; L78-F104 WeakPolarHBondContact O-CA 3.19Å; R79-F104 HydrophobicContact CB-CD1 4.02Å; R79-F104 HydrophobicContact CB-CE1 3.99Å; R79-F104 HydrophobicContact CG-CD1 4.1Å; R79-F104 HydrophobicContact CG-CE1 3.7Å; R79-F104 HydrophobicContact CG-CZ 4.29Å; K102-F104 HydrophobicContact CB-CE2 3.88Å; K102-F104 HydrophobicContact CB-CZ 4.18Å; F104-Y106 HydrophobicContact CB-CE2 3.96Å; F104-I112 CarbonylContact O-C 3.58Å; F104-I112 VanDerWaalsContact O-CA 3.28Å; F104-I112 WeakPolarHBondContact O-CA 3.12Å; F104-H113 HydrophobicContact CB-CB 4.27Å; F104-H113 PolarHBondContact N-O 3.29Å; F104-H113 PolarHBondContact O-N 3.15Å; F104-I115 HydrophobicContact CD2-CD1 4.04Å; F104-I115 HydrophobicContact CE2-CB 4.31Å; F104-I115 HydrophobicContact CE2-CD1 3.62Å; F104-I115 HydrophobicContact CE2-CG1 4.28Å
105	F	95.1	Very high	91.5	Very high	0 Å²	0	31.5 Å²	31.5	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	118.7	171.8	-179.4	-81.6	0	0	0	108.5	T77 L78 L107 D110 T111 I112 V148 F151	T77-F105 CarbonylContact C-O 3.49Å; T77-F105 WeakPolarHBondContact CA-O 3.32Å; L78-F105 HydrophobicContact CB-CB 4.2Å; L78-F105 HydrophobicContact CD1-CD1 4.23Å; L78-F105 PolarHBondContact N-O 2.66Å; L78-F105 PolarHBondContact O-N 3.28Å; F105-L107 HydrophobicContact CD1-CD2 4.13Å; F105-L107 HydrophobicContact CE1-CD2 4.09Å; F105-D110 HydrophobicContact CE2-CB 4.2Å; F105-D110 HydrophobicContact CZ-CB 3.73Å; F105-D110 WeakPolarHBondContact CZ-OD1 3.33Å; F105-T111 WeakPolarHBondContact CA-O 3.43Å; F105-I112 HydrophobicContact CD2-CD1 4.28Å; F105-I112 HydrophobicContact CD2-CG1 3.71Å; F105-I112 HydrophobicContact CE2-CG1 4.33Å; F105-V148 HydrophobicContact CD1-CG2 3.95Å; F105-V148 HydrophobicContact CE1-CB 4.37Å; F105-V148 HydrophobicContact CE1-CG2 3.18Å; F105-V148 HydrophobicContact CZ-CG2 3.57Å; F105-F151 HydrophobicContact CD2-CD2 4.24Å; F105-F151 AromaticContact CD2-CE2 3.46Å; F105-F151 HydrophobicContact CD2-CE2 3.46Å; F105-F151 VanDerWaalsContact CD2-CE2 3.46Å; F105-F151 AromaticContact CD2-CZ 3.98Å; F105-F151 HydrophobicContact CD2-CZ 3.98Å; F105-F151 AromaticContact CE2-CE2 3.95Å; F105-F151 HydrophobicContact CE2-CE2 3.95Å; F105-F151 HydrophobicContact CG-CE2 4.23Å
106	Y	94.8	Very high	92.4	Very high	41 Å²	41	26.5 Å²	26.5	16%	0.161	12%	0.121	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.3	120	-177.5	-66.3	-99	0	0	0	109.3	T77 F104 E108 D109 D110 T111 H113 R132	T77-Y106 HydrophobicContact CG2-CD1 3.26Å; T77-Y106 HydrophobicContact CG2-CE1 3.39Å; T77-Y106 HydrophobicContact CG2-CG 3.98Å; F104-Y106 HydrophobicContact CB-CE2 3.96Å; Y106-E108 PolarHBondContact O-N 3.06Å; Y106-D109 WeakPolarHBondContact CB-OD1 3.47Å; Y106-D110 WeakPolarHBondContact O-CA 3.42Å; Y106-D110 PolarHBondContact O-N 3.1Å; Y106-T111 WeakPolarHBondContact CB-OG1 3.32Å; Y106-T111 WeakPolarHBondContact CD2-O 3.21Å; Y106-T111 PolarHBondContact N-O 2.89Å; Y106-H113 HydrophobicContact CE2-CB 3.74Å; Y106-R132 HydrophobicContact CD2-CG 4.07Å; Y106-R132 HydrophobicContact CE2-CG 3.96Å
107	L	91.5	Very high	93	Very high	0 Å²	0	25.1 Å²	25.1	0%	0	12%	0.118	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-18.8	-174.5	-68.2	171	0	0	0	113.2	Y59 F73 Q76 L78 F105 V148 F176	Y59-L107 HydrophobicContact CE1-CD2 4.3Å; Y59-L107 VanDerWaalsContact OH-CD2 3.24Å; Y59-L107 WeakPolarHBondContact OH-CD2 3.49Å; F73-L107 HydrophobicContact CB-CB 3.58Å; F73-L107 HydrophobicContact CD1-CB 4.47Å; F73-L107 HydrophobicContact CD1-CD1 4.31Å; F73-L107 HydrophobicContact CD2-CB 4.41Å; F73-L107 HydrophobicContact CG-CB 3.93Å; Q76-L107 HydrophobicContact CB-CD1 3.98Å; Q76-L107 PolarHBondContact O-N 3.09Å; L78-L107 HydrophobicContact CD1-CD2 3.84Å; L78-L107 HydrophobicContact CD2-CD1 4.19Å; L78-L107 HydrophobicContact CG-CD1 4.25Å; L78-L107 HydrophobicContact CG-CD2 3.9Å; L78-L107 HydrophobicContact CG-CG 4.11Å; F105-L107 HydrophobicContact CD1-CD2 4.13Å; F105-L107 HydrophobicContact CE1-CD2 4.09Å; L107-V148 HydrophobicContact CD2-CG2 4.01Å; L107-F176 HydrophobicContact CD1-CD1 4.41Å; L107-F176 HydrophobicContact CD1-CD2 4.26Å; L107-F176 HydrophobicContact CD1-CE1 3.88Å; L107-F176 HydrophobicContact CD1-CE2 3.75Å; L107-F176 HydrophobicContact CD1-CZ 3.53Å; L107-F176 HydrophobicContact CD2-CD1 4.43Å; L107-F176 HydrophobicContact CD2-CE1 3.49Å; L107-F176 VanDerWaalsContact CD2-CE1 3.49Å; L107-F176 HydrophobicContact CD2-CZ 3.63Å; L107-F176 HydrophobicContact CG-CE1 4.36Å; L107-F176 HydrophobicContact CG-CZ 4.23Å
108	E	90.4	Very high	93.1	Very high	38 Å²	38	28.5 Å²	28.5	18%	0.178	15%	0.146	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.4	-39.9	179.8	55.4	-175.7	162.9	0	0	113	S69 W70 Y106 R132	S69-E108 PolarHBondContact OG-O 2.96Å; W70-E108 HydrophobicContact CB-CB 4.49Å; Y106-E108 PolarHBondContact O-N 3.06Å; E108-R132 VanDerWaalsContact CD-NH2 3.29Å; E108-R132 IonicContact OE1-CZ 3.4Å; E108-R132 IonicContact OE1-NH1 3.68Å; E108-R132 PolarHBondContact OE1-NH1 3.24Å; E108-R132 IonicContact OE1-NH2 3.67Å; E108-R132 PolarHBondContact OE1-NH2 2.98Å
109	D	89.5	Confident	92.9	Very high	48 Å²	48	32.8 Å²	32.8	26%	0.257	16%	0.164	S	C	.	.	T	Hydrogen-bonded Turn	trans	-141.3	8.4	-167.8	66.1	-6.7	0	0	0	115.1	Y106 T111 R132	Y106-D109 WeakPolarHBondContact CB-OD1 3.47Å; D109-T111 HydrophobicContact CB-CG2 4.35Å; D109-T111 VanDerWaalsContact CG-OG1 3.3Å; D109-T111 PolarHBondContact O-N 3.16Å; D109-T111 WeakPolarHBondContact OD1-CB 3.36Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.48Å; D109-T111 PolarHBondContact OD1-N 2.93Å; D109-T111 VanDerWaalsContact OD1-N 3.12Å; D109-T111 PolarHBondContact OD1-OG1 3.22Å; D109-T111 WeakPolarHBondContact OD2-CG2 3.26Å; D109-T111 PolarHBondContact OD2-OG1 3.19Å; D109-R132 IonicContact OD1-NH2 2.61Å; D109-R132 PolarHBondContact OD1-NH2 3.44Å; D109-R132 IonicContact OD2-CZ 3.51Å; D109-R132 IonicContact OD2-NE 2.75Å; D109-R132 IonicContact OD2-NH2 3.99Å; D109-R132 PolarHBondContact OD2-NH2 3.04Å
110	D	91.1	Very high	92.4	Very high	5 Å²	5	40.5 Å²	40.5	3%	0.027	20%	0.199	C	C	.	.	T	Hydrogen-bonded Turn	trans	56	29.5	-175.9	-55	-37.8	0	0	0	114	Y56 S57 F105 Y106	Y56-D110 WeakPolarHBondContact CA-OD2 3.38Å; Y56-D110 WeakPolarHBondContact CB-OD2 2.88Å; S57-D110 WeakPolarHBondContact CB-OD1 2.98Å; S57-D110 PolarHBondContact N-OD2 2.63Å; S57-D110 VanDerWaalsContact OG-CG 3.3Å; S57-D110 PolarHBondContact OG-OD1 3.44Å; S57-D110 PolarHBondContact OG-OD2 3.24Å; F105-D110 HydrophobicContact CE2-CB 4.2Å; F105-D110 HydrophobicContact CZ-CB 3.73Å; F105-D110 WeakPolarHBondContact CZ-OD1 3.33Å; Y106-D110 WeakPolarHBondContact O-CA 3.42Å; Y106-D110 PolarHBondContact O-N 3.1Å
111	T	93.6	Very high	91.5	Very high	10 Å²	10	41.9 Å²	41.9	6%	0.061	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	149.5	174.6	57.3	0	0	0	0	111.8	F105 Y106 D109 R132 R134	F105-T111 WeakPolarHBondContact CA-O 3.43Å; Y106-T111 WeakPolarHBondContact CB-OG1 3.32Å; Y106-T111 WeakPolarHBondContact CD2-O 3.21Å; Y106-T111 PolarHBondContact N-O 2.89Å; D109-T111 HydrophobicContact CB-CG2 4.35Å; D109-T111 VanDerWaalsContact CG-OG1 3.3Å; D109-T111 PolarHBondContact O-N 3.16Å; D109-T111 WeakPolarHBondContact OD1-CB 3.36Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.48Å; D109-T111 PolarHBondContact OD1-N 2.93Å; D109-T111 VanDerWaalsContact OD1-N 3.12Å; D109-T111 PolarHBondContact OD1-OG1 3.22Å; D109-T111 WeakPolarHBondContact OD2-CG2 3.26Å; D109-T111 PolarHBondContact OD2-OG1 3.19Å; T111-R132 HydrophobicContact CG2-CG 4.47Å; T111-R132 WeakPolarHBondContact OG1-CG 3.3Å; T111-R132 PolarHBondContact OG1-NE 3.24Å; T111-R134 HydrophobicContact CG2-CG 3.72Å
112	I	95.4	Very high	90.6	Very high	0 Å²	0	42.2 Å²	42.2	0%	0	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.6	140.7	178.9	-64.2	160.4	0	0	0	109.1	I103 F104 F105 V114 R132 H133 I135 Y146 F151 F159	I103-I112 HydrophobicContact CG2-CG2 3.89Å; F104-I112 CarbonylContact O-C 3.58Å; F104-I112 VanDerWaalsContact O-CA 3.28Å; F104-I112 WeakPolarHBondContact O-CA 3.12Å; F105-I112 HydrophobicContact CD2-CD1 4.28Å; F105-I112 HydrophobicContact CD2-CG1 3.71Å; F105-I112 HydrophobicContact CE2-CG1 4.33Å; I112-V114 HydrophobicContact CG2-CG2 4.17Å; I112-R132 WeakPolarHBondContact O-CA 3.25Å; I112-H133 PolarHBondContact N-O 3.03Å; I112-H133 PolarHBondContact O-N 3.2Å; I112-I135 HydrophobicContact CB-CD1 3.68Å; I112-I135 HydrophobicContact CB-CG1 4.08Å; I112-I135 HydrophobicContact CD1-CB 4.2Å; I112-I135 HydrophobicContact CD1-CD1 4.17Å; I112-I135 HydrophobicContact CD1-CG1 4.31Å; I112-I135 HydrophobicContact CG2-CD1 3.61Å; I112-Y146 VanDerWaalsContact CD1-CB 3.49Å; I112-Y146 HydrophobicContact CD1-CD2 4.35Å; I112-Y146 HydrophobicContact CD1-CG 4.11Å; I112-F151 HydrophobicContact CD1-CE2 4.29Å; I112-F151 HydrophobicContact CD1-CZ 3.76Å; I112-F151 HydrophobicContact CG1-CZ 4.15Å; I112-F159 HydrophobicContact CD1-CE1 4.02Å; I112-F159 HydrophobicContact CD1-CZ 4.18Å; I112-F159 HydrophobicContact CG2-CE2 4.1Å; I112-F159 HydrophobicContact CG2-CZ 3.94Å
113	H	96.1	Very high	89.8	Confident	24 Å²	24	42.9 Å²	42.9	11%	0.111	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	132.4	175.7	-178.9	51	0	0	0	109.1	F104 Y106 I115 T128 I130 R132	F104-H113 HydrophobicContact CB-CB 4.27Å; F104-H113 PolarHBondContact N-O 3.29Å; F104-H113 PolarHBondContact O-N 3.15Å; Y106-H113 HydrophobicContact CE2-CB 3.74Å; H113-I115 VanDerWaalsContact CD2-CD1 3.41Å; H113-I115 WeakPolarHBondContact CD2-CD1 3.49Å; H113-I115 WeakPolarHBondContact NE2-CD1 3.2Å; H113-I115 VanDerWaalsContact NE2-CG1 3.3Å; H113-I115 WeakPolarHBondContact NE2-CG1 3.35Å; H113-T128 WeakPolarHBondContact CE1-CG2 3.45Å; H113-I130 PolarHBondContact ND1-O 2.74Å; H113-R132 HydrophobicContact CB-CB 4.14Å; H113-R132 PolarHBondContact ND1-N 3.11Å
114	V	96.5	Very high	89.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	124	-178.9	-173.8	0	0	0	0	109.4	C101 K102 I103 I112 L129 I130 F159 F164	C101-V114 HydrophobicContact CB-CG1 4.03Å; K102-V114 WeakPolarHBondContact O-CA 3.24Å; I103-V114 HydrophobicContact CG1-CG1 4.31Å; I103-V114 HydrophobicContact CG1-CG2 4.12Å; I103-V114 HydrophobicContact CG2-CG2 4.33Å; I112-V114 HydrophobicContact CG2-CG2 4.17Å; V114-L129 HydrophobicContact CB-CB 4.38Å; V114-L129 HydrophobicContact CG1-CB 4.24Å; V114-L129 HydrophobicContact CG1-CD1 4.21Å; V114-L129 PolarHBondContact O-N 3.05Å; V114-I130 HydrophobicContact CB-CB 3.93Å; V114-I130 HydrophobicContact CB-CD1 4.23Å; V114-I130 HydrophobicContact CB-CG1 4.13Å; V114-I130 HydrophobicContact CG2-CB 4.1Å; V114-I130 HydrophobicContact CG2-CD1 3.89Å; V114-I130 HydrophobicContact CG2-CG1 4.28Å; V114-I130 PolarHBondContact N-O 3.29Å; V114-I130 PolarHBondContact O-N 2.85Å; V114-F159 HydrophobicContact CG2-CD2 3.91Å; V114-F159 HydrophobicContact CG2-CE2 3.88Å; V114-F164 HydrophobicContact CG1-CE1 4.04Å; V114-F164 HydrophobicContact CG1-CZ 4.38Å
115	I	96.3	Very high	88.6	Confident	47 Å²	47	48.9 Å²	48.9	24%	0.241	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	129.9	-179	-63.7	165.5	0	0	0	109.6	C101 K102 F104 H113	C101-I115 CarbonylContact C-O 3.59Å; K102-I115 PolarHBondContact N-O 3.47Å; K102-I115 PolarHBondContact O-N 3.23Å; F104-I115 HydrophobicContact CD2-CD1 4.04Å; F104-I115 HydrophobicContact CE2-CB 4.31Å; F104-I115 HydrophobicContact CE2-CD1 3.62Å; F104-I115 HydrophobicContact CE2-CG1 4.28Å; H113-I115 VanDerWaalsContact CD2-CD1 3.41Å; H113-I115 WeakPolarHBondContact CD2-CD1 3.49Å; H113-I115 WeakPolarHBondContact NE2-CD1 3.2Å; H113-I115 VanDerWaalsContact NE2-CG1 3.3Å; H113-I115 WeakPolarHBondContact NE2-CG1 3.35Å
116	E	93.6	Very high	88.2	Confident	7 Å²	7	51.5 Å²	51.5	3%	0.033	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	124.6	165.3	-176.1	169.5	-169.7	0	0	109.9	R99 Q126 G127 L129	R99-E116 IonicContact CZ-OE1 3.7Å; R99-E116 IonicContact CZ-OE2 2.66Å; R99-E116 VanDerWaalsContact CZ-OE2 3.26Å; R99-E116 IonicContact NE-OE1 2.73Å; R99-E116 PolarHBondContact NE-OE1 2.87Å; R99-E116 IonicContact NE-OE2 3.32Å; R99-E116 PolarHBondContact NE-OE2 3Å; R99-E116 VanDerWaalsContact NE-OE2 3.16Å; R99-E116 IonicContact NH2-OE1 3.09Å; R99-E116 IonicContact NH2-OE2 3.54Å; R99-E116 PolarHBondContact NH2-OE2 3.26Å; E116-Q126 HydrophobicContact CG-CG 4.41Å; E116-G127 PolarHBondContact N-O 3.07Å; E116-G127 WeakPolarHBondContact O-CA 3.43Å; E116-G127 PolarHBondContact O-N 3.36Å; E116-L129 HydrophobicContact CB-CD1 3.84Å; E116-L129 HydrophobicContact CB-CG 4.23Å
117	P	91.4	Very high	88.1	Confident	34 Å²	34	50.7 Å²	50.7	22%	0.221	30%	0.295	C	S	.	.	P	Polyproline II helix	trans	-63.8	143.6	174.7	27.5	-31.4	0	0	0	110.9	K100 F119	K100-P117 VanDerWaalsContact O-CD 3.24Å; K100-P117 WeakPolarHBondContact O-CD 3.01Å; P117-F119 HydrophobicContact CB-CE2 4.45Å; P117-F119 HydrophobicContact CG-CE2 3.79Å; P117-F119 HydrophobicContact CG-CZ 4.07Å; P117-F119 WeakPolarHBondContact O-CD2 3.47Å
118	S	87.2	Confident	88.2	Confident	104 Å²	104	53.9 Å²	53.9	73%	0.727	31%	0.314	S	S	*	.	P	Polyproline II helix	trans	-75.9	130.1	178.6	54.2	0	0	0	0	111.5
119	F	83.2	Confident	88.3	Confident	103 Å²	103	54.5 Å²	54.5	45%	0.452	32%	0.318	S	S	.	.			trans	-118.3	131	173.6	-65.9	-78.6	0	0	0	108.9	P117 S122 Q126	P117-F119 HydrophobicContact CB-CE2 4.45Å; P117-F119 HydrophobicContact CG-CE2 3.79Å; P117-F119 HydrophobicContact CG-CZ 4.07Å; P117-F119 WeakPolarHBondContact O-CD2 3.47Å; F119-S122 WeakPolarHBondContact O-CB 3.41Å; F119-S122 PolarHBondContact O-N 2.71Å; F119-S122 PolarHBondContact O-OG 2.9Å; F119-Q126 PolarHBondContact O-OE1 2.77Å; F119-Q126 VanDerWaalsContact O-OE1 3.1Å
120	K	79.7	Confident	88.5	Confident	183 Å²	183	53.1 Å²	53.1	80%	0.796	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.7	146.5	175.5	-64.9	-177.6	-179.5	179.3	0	109.6	S122 R199	K120-S122 PolarHBondContact O-N 3.05Å; K120-R199 PolarHBondContact O-NH1 3.18Å; K120-R199 PolarHBondContact O-NH2 2.79Å
121	N	74	Confident	88.7	Confident	131 Å²	131	59.5 Å²	59.5	70%	0.701	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.2	24.5	177.7	-35.3	-41	0	0	0	116	G123 R199	N121-G123 PolarHBondContact O-N 3.1Å; N121-R199 PolarHBondContact O-NH1 2.78Å
122	S	74.1	Confident	88.8	Confident	11 Å²	11	63.9 Å²	63.9	8%	0.077	36%	0.355	C	S	.	.			trans	-67.6	-19.3	-178.6	62.2	0	0	0	0	114.3	R97 F119 K120 L124 Q126	R97-S122 PolarHBondContact NH2-O 2.99Å; R97-S122 VanDerWaalsContact NH2-O 3.16Å; F119-S122 WeakPolarHBondContact O-CB 3.41Å; F119-S122 PolarHBondContact O-N 2.71Å; F119-S122 PolarHBondContact O-OG 2.9Å; K120-S122 PolarHBondContact O-N 3.05Å; S122-L124 PolarHBondContact O-N 2.77Å; S122-L124 VanDerWaalsContact O-N 3.09Å; S122-Q126 PolarHBondContact OG-NE2 3.33Å; S122-Q126 VanDerWaalsContact OG-NE2 3.1Å; S122-Q126 PolarHBondContact OG-OE1 3.15Å; S122-Q126 VanDerWaalsContact OG-OE1 3.06Å
123	G	78.4	Confident	88.8	Confident	77 Å²	77	67 Å²	67	79%	0.794	37%	0.37	S	S	*	.			trans	69.6	-5.2	-177.9	0	0	0	0	0	114.8	N121	N121-G123 PolarHBondContact O-N 3.1Å
124	L	83.8	Confident	88.6	Confident	50 Å²	50	68.4 Å²	68.4	26%	0.262	37%	0.374	S	S	.	.	S	Bend	trans	-104.8	150.2	-178.1	-66.3	-174.9	0	0	0	111.5	R97 S122 Q126	R97-L124 VanDerWaalsContact NH1-CD1 3.27Å; R97-L124 VanDerWaalsContact NH2-CD1 3.32Å; S122-L124 PolarHBondContact O-N 2.77Å; S122-L124 VanDerWaalsContact O-N 3.09Å; L124-Q126 PolarHBondContact O-N 3.22Å
125	P	84.3	Confident	88.4	Confident	114 Å²	114	68.5 Å²	68.5	74%	0.74	38%	0.375	S	S	*	.			trans	-64.4	117.1	164.7	27.9	-32.4	0	0	0	109.1	R99	R99-P125 PolarHBondContact NH2-O 2.85Å
126	Q	88.4	Confident	88.1	Confident	54 Å²	54	68.4 Å²	68.4	25%	0.252	38%	0.377	S	S	.	.			trans	-115.6	161.4	-178.2	-69.6	176.2	-35.7	0	0	110.9	E116 F119 S122 L124	E116-Q126 HydrophobicContact CG-CG 4.41Å; F119-Q126 PolarHBondContact O-OE1 2.77Å; F119-Q126 VanDerWaalsContact O-OE1 3.1Å; S122-Q126 PolarHBondContact OG-NE2 3.33Å; S122-Q126 VanDerWaalsContact OG-NE2 3.1Å; S122-Q126 PolarHBondContact OG-OE1 3.15Å; S122-Q126 VanDerWaalsContact OG-OE1 3.06Å; L124-Q126 PolarHBondContact O-N 3.22Å
127	G	91.6	Very high	87.9	Confident	25 Å²	25	69 Å²	69	26%	0.258	38%	0.381	S	S	.	.	E	Extended strand (participates in β ladder)	trans	123.2	-139.9	-178.2	0	0	0	0	0	111.5	E116 L129	E116-G127 PolarHBondContact N-O 3.07Å; E116-G127 WeakPolarHBondContact O-CA 3.43Å; E116-G127 PolarHBondContact O-N 3.36Å; G127-L129 PolarHBondContact O-N 3.17Å
128	T	93.6	Very high	87.8	Confident	67 Å²	67	70 Å²	70	41%	0.411	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	113.7	-178.2	-58.3	0	0	0	0	111.7	H113	H113-T128 WeakPolarHBondContact CE1-CG2 3.45Å
129	L	92.3	Very high	87.8	Confident	50 Å²	50	70.3 Å²	70.3	26%	0.262	39%	0.386	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.7	-44.9	172.4	-81.6	162.2	0	0	0	111.5	F84 C101 V114 E116 G127	F84-L129 HydrophobicContact CE1-CD1 3.94Å; C101-L129 HydrophobicContact CB-CD1 4.43Å; C101-L129 WeakPolarHBondContact SG-CD1 3.37Å; V114-L129 HydrophobicContact CB-CB 4.38Å; V114-L129 HydrophobicContact CG1-CB 4.24Å; V114-L129 HydrophobicContact CG1-CD1 4.21Å; V114-L129 PolarHBondContact O-N 3.05Å; E116-L129 HydrophobicContact CB-CD1 3.84Å; E116-L129 HydrophobicContact CB-CG 4.23Å; G127-L129 PolarHBondContact O-N 3.17Å
130	I	94.4	Very high	87.8	Confident	20 Å²	20	71 Å²	71	10%	0.103	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	119.5	-179.9	-57.7	177.2	0	0	0	108	H113 V114 I135 F159 Y160	H113-I130 PolarHBondContact ND1-O 2.74Å; V114-I130 HydrophobicContact CB-CB 3.93Å; V114-I130 HydrophobicContact CB-CD1 4.23Å; V114-I130 HydrophobicContact CB-CG1 4.13Å; V114-I130 HydrophobicContact CG2-CB 4.1Å; V114-I130 HydrophobicContact CG2-CD1 3.89Å; V114-I130 HydrophobicContact CG2-CG1 4.28Å; V114-I130 PolarHBondContact N-O 3.29Å; V114-I130 PolarHBondContact O-N 2.85Å; I130-I135 HydrophobicContact CD1-CD1 4.39Å; I130-I135 HydrophobicContact CG2-CD1 4.07Å; I130-F159 HydrophobicContact CD1-CB 3.68Å; I130-F159 HydrophobicContact CD1-CD2 4.11Å; I130-F159 HydrophobicContact CD1-CG 4.25Å; I130-Y160 HydrophobicContact CD1-CD2 4.23Å; I130-Y160 HydrophobicContact CG2-CE2 4.33Å
131	H	95.3	Very high	88	Confident	138 Å²	138	66.3 Å²	66.3	64%	0.639	39%	0.385	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-65.5	156.3	176.5	-73	75.2	0	0	0	111	H133	H131-H133 PolarHBondContact O-CE1 2.86Å; H131-H133 PolarHBondContact O-N 3.47Å; H131-H133 VanDerWaalsContact O-N 3.13Å; H131-H133 PolarHBondContact O-ND1 3.2Å
132	R	95.3	Very high	88.3	Confident	102 Å²	102	64.4 Å²	64.4	39%	0.385	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	113.1	-177.4	-178.9	-178.7	164	178.7	-8.7	111.5	Y106 E108 D109 T111 I112 H113	Y106-R132 HydrophobicContact CD2-CG 4.07Å; Y106-R132 HydrophobicContact CE2-CG 3.96Å; E108-R132 VanDerWaalsContact CD-NH2 3.29Å; E108-R132 IonicContact OE1-CZ 3.4Å; E108-R132 IonicContact OE1-NH1 3.68Å; E108-R132 PolarHBondContact OE1-NH1 3.24Å; E108-R132 IonicContact OE1-NH2 3.67Å; E108-R132 PolarHBondContact OE1-NH2 2.98Å; D109-R132 IonicContact OD1-NH2 2.61Å; D109-R132 PolarHBondContact OD1-NH2 3.44Å; D109-R132 IonicContact OD2-CZ 3.51Å; D109-R132 IonicContact OD2-NE 2.75Å; D109-R132 IonicContact OD2-NH2 3.99Å; D109-R132 PolarHBondContact OD2-NH2 3.04Å; T111-R132 HydrophobicContact CG2-CG 4.47Å; T111-R132 WeakPolarHBondContact OG1-CG 3.3Å; T111-R132 PolarHBondContact OG1-NE 3.24Å; I112-R132 WeakPolarHBondContact O-CA 3.25Å; H113-R132 HydrophobicContact CB-CB 4.14Å; H113-R132 PolarHBondContact ND1-N 3.11Å
133	H	94.6	Very high	88.6	Confident	67 Å²	67	70.9 Å²	70.9	31%	0.31	41%	0.409	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-166.5	174.4	169.8	63.9	-66.1	0	0	0	110.2	I112 H131 Y160	I112-H133 PolarHBondContact N-O 3.03Å; I112-H133 PolarHBondContact O-N 3.2Å; H131-H133 PolarHBondContact O-CE1 2.86Å; H131-H133 PolarHBondContact O-N 3.47Å; H131-H133 VanDerWaalsContact O-N 3.13Å; H131-H133 PolarHBondContact O-ND1 3.2Å; H133-Y160 AromaticContact CE1-CE2 3.91Å; H133-Y160 AromaticContact NE2-CE2 3.57Å; H133-Y160 AromaticContact NE2-CZ 3.51Å; H133-Y160 PolarHBondContact NE2-OH 3.02Å
134	R	92	Very high	88.9	Confident	53 Å²	53	70.5 Å²	70.5	20%	0.2	39%	0.386	C	S	.	.	P	Polyproline II helix	trans	-80.9	125.7	178.6	-58.7	-177.6	62.4	-161.6	-3.8	109.9	K55 T111 F145	K55-R134 PolarHBondContact O-NH2 2.84Å; T111-R134 HydrophobicContact CG2-CG 3.72Å; R134-F145 HydrophobicContact CB-CD1 3.66Å; R134-F145 HydrophobicContact CB-CE1 3.98Å; R134-F145 HydrophobicContact CB-CG 4.32Å
135	I	92.8	Very high	89.2	Confident	2 Å²	2	72.2 Å²	72.2	1%	0.01	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-97.7	127	-177.3	-56.7	177.4	0	0	0	109.3	I112 I130 F145 Y146 F159 Y160	I112-I135 HydrophobicContact CB-CD1 3.68Å; I112-I135 HydrophobicContact CB-CG1 4.08Å; I112-I135 HydrophobicContact CD1-CB 4.2Å; I112-I135 HydrophobicContact CD1-CD1 4.17Å; I112-I135 HydrophobicContact CD1-CG1 4.31Å; I112-I135 HydrophobicContact CG2-CD1 3.61Å; I130-I135 HydrophobicContact CD1-CD1 4.39Å; I130-I135 HydrophobicContact CG2-CD1 4.07Å; I135-F145 WeakPolarHBondContact O-CA 3.5Å; I135-Y146 HydrophobicContact CB-CD2 4.09Å; I135-Y146 HydrophobicContact CG2-CD2 4.01Å; I135-Y146 HydrophobicContact CG2-CE2 4.17Å; I135-Y146 WeakPolarHBondContact O-CD2 3.47Å; I135-Y146 PolarHBondContact O-N 2.93Å; I135-F159 HydrophobicContact CB-CD1 4.47Å; I135-F159 HydrophobicContact CD1-CB 4.3Å; I135-F159 HydrophobicContact CD1-CD1 3.81Å; I135-F159 HydrophobicContact CD1-CD2 4.33Å; I135-F159 HydrophobicContact CD1-CE1 4.13Å; I135-F159 HydrophobicContact CD1-CG 3.91Å; I135-F159 HydrophobicContact CG2-CD1 3.89Å; I135-Y160 HydrophobicContact CD1-CE2 4.48Å; I135-Y160 HydrophobicContact CG1-CE2 4.24Å; I135-Y160 HydrophobicContact CG2-CE2 4.17Å
136	P	90.8	Very high	89.6	Confident	44 Å²	44	67.6 Å²	67.6	29%	0.286	36%	0.359	S	S	.	.	B	Isolated β-bridge	trans	-70.8	152.8	175.1	29.7	-33.9	0	0	0	111.5	Q144 F145	P136-Q144 CarbonylContact C-O 3.59Å; P136-Q144 VanDerWaalsContact CA-O 3.3Å; P136-Q144 WeakPolarHBondContact CA-O 3.4Å; P136-F145 HydrophobicContact CB-CD1 4.44Å; P136-F145 HydrophobicContact CB-CE1 4.42Å
137	L	89.6	Confident	89.6	Confident	21 Å²	21	66.4 Å²	66.4	11%	0.11	36%	0.355	C	S	.	.	P	Polyproline II helix	trans	-66.7	155.2	171.8	-71.2	176.1	0	0	0	110.4	N141 D142 Q144 Y146	L137-N141 HydrophobicContact CB-CB 4.38Å; L137-N141 WeakPolarHBondContact CB-O 3.41Å; L137-N141 HydrophobicContact CD1-CB 4.37Å; L137-D142 WeakPolarHBondContact O-CA 3.1Å; L137-Q144 HydrophobicContact CD1-CB 3.85Å; L137-Q144 HydrophobicContact CG-CB 4.47Å; L137-Q144 PolarHBondContact N-O 2.91Å; L137-Y146 HydrophobicContact CD2-CD1 3.65Å; L137-Y146 HydrophobicContact CD2-CD2 4.13Å; L137-Y146 HydrophobicContact CD2-CE1 3.46Å; L137-Y146 VanDerWaalsContact CD2-CE1 3.46Å; L137-Y146 HydrophobicContact CD2-CE2 3.98Å; L137-Y146 HydrophobicContact CD2-CG 3.97Å
138	P	88.9	Confident	89.5	Confident	54 Å²	54	65.2 Å²	65.2	35%	0.351	34%	0.342	S	S	.	.	P	Polyproline II helix	trans	-64.8	155.5	175.3	27.1	-35	0	0	0	111.8	N141 Y146 V158	P138-N141 PolarHBondContact O-N 3.32Å; P138-Y146 WeakPolarHBondContact CD-OH 3.3Å; P138-V158 HydrophobicContact CB-CG1 4.48Å; P138-V158 HydrophobicContact CG-CB 4.35Å
139	P	86.4	Confident	89.2	Confident	110 Å²	110	66.8 Å²	66.8	71%	0.714	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.1	135.1	173	-24.4	33.7	0	0	0	110.7
140	P	84.1	Confident	89	Confident	118 Å²	118	67.3 Å²	67.3	77%	0.766	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	cis	-94	3.1	19.5	36	-37.3	0	0	0	116.8
141	N	82.4	Confident	88.9	Confident	85 Å²	85	66.4 Å²	66.4	46%	0.455	34%	0.34	S	S	.	.			trans	-105.4	38.3	-175.1	-67.1	-31.9	0	0	0	112.8	L137 P138 N143 Q144	L137-N141 HydrophobicContact CB-CB 4.38Å; L137-N141 WeakPolarHBondContact CB-O 3.41Å; L137-N141 HydrophobicContact CD1-CB 4.37Å; P138-N141 PolarHBondContact O-N 3.32Å; N141-N143 PolarHBondContact O-N 2.87Å; N141-N143 VanDerWaalsContact O-N 3.15Å; N141-Q144 PolarHBondContact O-N 2.75Å
142	D	81.4	Confident	88.7	Confident	91 Å²	91	61.1 Å²	61.1	49%	0.487	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.9	-21.1	-178.1	59	-10	0	0	0	114.6	L137 Q144	L137-D142 WeakPolarHBondContact O-CA 3.1Å; D142-Q144 PolarHBondContact O-N 2.81Å
143	N	80.8	Confident	88.5	Confident	147 Å²	147	56.3 Å²	56.3	79%	0.786	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.6	-7.1	173.4	-63.8	-39.2	0	0	0	114.3	N141	N141-N143 PolarHBondContact O-N 2.87Å; N141-N143 VanDerWaalsContact O-N 3.15Å
144	Q	85.3	Confident	88.3	Confident	69 Å²	69	57.7 Å²	57.7	32%	0.322	31%	0.308	S	S	.	.	S	Bend	trans	-116.3	155.5	-177.5	-66.9	178.8	23.1	0	0	111.5	P136 L137 N141 D142	P136-Q144 CarbonylContact C-O 3.59Å; P136-Q144 VanDerWaalsContact CA-O 3.3Å; P136-Q144 WeakPolarHBondContact CA-O 3.4Å; L137-Q144 HydrophobicContact CD1-CB 3.85Å; L137-Q144 HydrophobicContact CG-CB 4.47Å; L137-Q144 PolarHBondContact N-O 2.91Å; N141-Q144 PolarHBondContact O-N 2.75Å; D142-Q144 PolarHBondContact O-N 2.81Å
145	F	89.9	Confident	88.3	Confident	86 Å²	86	59.3 Å²	59.3	38%	0.377	32%	0.317	S	S	.	.	B	Isolated β-bridge	trans	-110.5	158.7	-179.1	-64.1	-85.7	0	0	0	112.1	R134 I135 P136 N147	R134-F145 HydrophobicContact CB-CD1 3.66Å; R134-F145 HydrophobicContact CB-CE1 3.98Å; R134-F145 HydrophobicContact CB-CG 4.32Å; I135-F145 WeakPolarHBondContact O-CA 3.5Å; P136-F145 HydrophobicContact CB-CD1 4.44Å; P136-F145 HydrophobicContact CB-CE1 4.42Å; F145-N147 PolarHBondContact O-N 3.04Å
146	Y	90.8	Very high	88.3	Confident	16 Å²	16	64.3 Å²	64.3	6%	0.063	34%	0.344	C	S	.	.			trans	-62.8	119.1	171.5	-81.6	-76.5	0	0	0	112.1	I112 I135 L137 P138 H150 I157 V158 F159	I112-Y146 VanDerWaalsContact CD1-CB 3.49Å; I112-Y146 HydrophobicContact CD1-CD2 4.35Å; I112-Y146 HydrophobicContact CD1-CG 4.11Å; I135-Y146 HydrophobicContact CB-CD2 4.09Å; I135-Y146 HydrophobicContact CG2-CD2 4.01Å; I135-Y146 HydrophobicContact CG2-CE2 4.17Å; I135-Y146 WeakPolarHBondContact O-CD2 3.47Å; I135-Y146 PolarHBondContact O-N 2.93Å; L137-Y146 HydrophobicContact CD2-CD1 3.65Å; L137-Y146 HydrophobicContact CD2-CD2 4.13Å; L137-Y146 HydrophobicContact CD2-CE1 3.46Å; L137-Y146 VanDerWaalsContact CD2-CE1 3.46Å; L137-Y146 HydrophobicContact CD2-CE2 3.98Å; L137-Y146 HydrophobicContact CD2-CG 3.97Å; P138-Y146 WeakPolarHBondContact CD-OH 3.3Å; Y146-H150 HydrophobicContact CD1-CB 3.82Å; Y146-H150 HydrophobicContact CE1-CB 4.28Å; Y146-I157 HydrophobicContact CD1-CG2 4.28Å; Y146-I157 HydrophobicContact CE1-CG2 3.6Å; Y146-I157 HydrophobicContact CE2-CG2 4.49Å; Y146-V158 WeakPolarHBondContact CE2-O 3.49Å; Y146-V158 PolarHBondContact OH-N 2.8Å; Y146-V158 PolarHBondContact OH-O 3.29Å; Y146-F159 HydrophobicContact CD2-CD1 4.12Å; Y146-F159 AromaticContact CD2-CE1 3.83Å; Y146-F159 HydrophobicContact CD2-CE1 3.83Å; Y146-F159 HydrophobicContact CE1-CE1 4.5Å; Y146-F159 AromaticContact CE2-CD1 3.76Å; Y146-F159 HydrophobicContact CE2-CD1 3.76Å; Y146-F159 AromaticContact CE2-CE1 3.78Å; Y146-F159 HydrophobicContact CE2-CE1 3.78Å; Y146-F159 HydrophobicContact CG-CE1 4.22Å
147	N	89.3	Confident	88.3	Confident	29 Å²	29	62.4 Å²	62.4	16%	0.155	33%	0.331	C	S	.	.			trans	-98.3	163.2	168.5	-165.2	-10.2	0	0	0	112.3	S57 F145 F149 H150	S57-N147 WeakPolarHBondContact CA-OD1 3.38Å; S57-N147 WeakPolarHBondContact CB-OD1 3.5Å; F145-N147 PolarHBondContact O-N 3.04Å; N147-F149 PolarHBondContact O-N 3.08Å; N147-F149 VanDerWaalsContact O-N 3.17Å; N147-H150 PolarHBondContact N-ND1 3.03Å; N147-H150 WeakPolarHBondContact O-CB 3.16Å; N147-H150 PolarHBondContact O-N 3.26Å; N147-H150 PolarHBondContact O-ND1 3.33Å
148	V	88.8	Confident	88.5	Confident	0 Å²	0	63.5 Å²	63.5	0%	0	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-47.8	-42.1	176.6	-179.5	0	0	0	0	112.3	Y59 L78 F105 L107 H150 F151 L177 L180 I182	Y59-V148 HydrophobicContact CE1-CG2 4.25Å; L78-V148 HydrophobicContact CD1-CG1 3.93Å; F105-V148 HydrophobicContact CD1-CG2 3.95Å; F105-V148 HydrophobicContact CE1-CB 4.37Å; F105-V148 HydrophobicContact CE1-CG2 3.18Å; F105-V148 HydrophobicContact CZ-CG2 3.57Å; L107-V148 HydrophobicContact CD2-CG2 4.01Å; V148-H150 PolarHBondContact O-N 2.82Å; V148-H150 VanDerWaalsContact O-N 3.11Å; V148-F151 PolarHBondContact O-N 3.3Å; V148-F151 VanDerWaalsContact O-N 3.11Å; V148-L177 HydrophobicContact CG1-CD2 3.56Å; V148-L180 HydrophobicContact CG1-CD1 4.04Å; V148-I182 HydrophobicContact CG1-CD1 4.43Å
149	F	88.2	Confident	88.7	Confident	100 Å²	100	61 Å²	61	44%	0.439	32%	0.322	S	S	.	.	G	3₁₀ helix	trans	-65.5	-13.9	-178.2	-57.6	-72.9	0	0	0	114.5	N147 F151 I182	N147-F149 PolarHBondContact O-N 3.08Å; N147-F149 VanDerWaalsContact O-N 3.17Å; F149-F151 VanDerWaalsContact C-N 3.33Å; F149-I182 HydrophobicContact CD1-CD1 3.66Å; F149-I182 HydrophobicContact CD1-CG1 4.04Å; F149-I182 HydrophobicContact CE1-CD1 4.07Å; F149-I182 HydrophobicContact CE1-CG1 4.35Å
150	H	88.8	Confident	88.9	Confident	61 Å²	61	61.7 Å²	61.7	28%	0.282	31%	0.311	S	S	.	.	G	3₁₀ helix	trans	-79.6	-18.3	176.2	-61.1	109.5	0	0	0	112.9	Y146 N147 V148 K155	Y146-H150 HydrophobicContact CD1-CB 3.82Å; Y146-H150 HydrophobicContact CE1-CB 4.28Å; N147-H150 PolarHBondContact N-ND1 3.03Å; N147-H150 WeakPolarHBondContact O-CB 3.16Å; N147-H150 PolarHBondContact O-N 3.26Å; N147-H150 PolarHBondContact O-ND1 3.33Å; V148-H150 PolarHBondContact O-N 2.82Å; V148-H150 VanDerWaalsContact O-N 3.11Å; H150-K155 WeakPolarHBondContact O-CD 3.41Å; H150-K155 WeakPolarHBondContact O-CE 3.41Å; H150-K155 PolarHBondContact O-NZ 2.89Å
151	F	90.7	Very high	89	Confident	1 Å²	1	61.8 Å²	61.8	0%	0.004	32%	0.315	C	S	.	.			trans	-88	127.5	-179.5	-65.7	-89	0	0	0	111.2	F80 I103 F105 I112 V148 F149 I157 F159	F80-F151 HydrophobicContact CD2-CD1 4.02Å; F80-F151 HydrophobicContact CD2-CG 4.5Å; F80-F151 HydrophobicContact CE1-CB 4.03Å; F80-F151 HydrophobicContact CE2-CB 3.97Å; F80-F151 AromaticContact CE2-CD1 3.91Å; F80-F151 HydrophobicContact CE2-CD1 3.91Å; F80-F151 AromaticContact CE2-CG 3.93Å; F80-F151 HydrophobicContact CE2-CG 3.93Å; F80-F151 HydrophobicContact CZ-CB 3.59Å; F80-F151 HydrophobicContact CZ-CD1 4.35Å; F80-F151 HydrophobicContact CZ-CG 4.09Å; I103-F151 HydrophobicContact CG2-CE1 4Å; F105-F151 HydrophobicContact CD2-CD2 4.24Å; F105-F151 AromaticContact CD2-CE2 3.46Å; F105-F151 HydrophobicContact CD2-CE2 3.46Å; F105-F151 VanDerWaalsContact CD2-CE2 3.46Å; F105-F151 AromaticContact CD2-CZ 3.98Å; F105-F151 HydrophobicContact CD2-CZ 3.98Å; F105-F151 AromaticContact CE2-CE2 3.95Å; F105-F151 HydrophobicContact CE2-CE2 3.95Å; F105-F151 HydrophobicContact CG-CE2 4.23Å; I112-F151 HydrophobicContact CD1-CE2 4.29Å; I112-F151 HydrophobicContact CD1-CZ 3.76Å; I112-F151 HydrophobicContact CG1-CZ 4.15Å; V148-F151 PolarHBondContact O-N 3.3Å; V148-F151 VanDerWaalsContact O-N 3.11Å; F149-F151 VanDerWaalsContact C-N 3.33Å; F151-I157 HydrophobicContact CD1-CD1 3.33Å; F151-I157 HydrophobicContact CE1-CD1 3.56Å; F151-I157 HydrophobicContact CG-CD1 4.18Å; F151-F159 HydrophobicContact CE1-CZ 4.05Å; F151-F159 HydrophobicContact CZ-CZ 4.12Å
152	N	91.4	Very high	89.4	Confident	28 Å²	28	63.1 Å²	63.1	15%	0.15	31%	0.313	C	S	.	.			trans	-150.6	160.2	166.9	-160.9	-8	0	0	0	108.5	K155 V166 T183 L184 N185	N152-K155 HydrophobicContact CB-CB 4.37Å; N152-K155 HydrophobicContact CB-CD 4.31Å; N152-K155 WeakPolarHBondContact O-CB 3.31Å; N152-V166 WeakPolarHBondContact O-CB 3.3Å; N152-T183 PolarHBondContact ND2-O 2.81Å; N152-L184 WeakPolarHBondContact OD1-CD2 3.23Å; N152-N185 PolarHBondContact OD1-N 3.39Å
153	I	92.1	Very high	90	Very high	1 Å²	1	62.4 Å²	62.4	1%	0.005	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-66.1	146.2	172.5	-65.9	168.8	0	0	0	109.3	K155 T167 L184 N185 E186	I153-K155 PolarHBondContact O-N 2.78Å; I153-T167 VanDerWaalsContact CG2-O 3.31Å; I153-T167 WeakPolarHBondContact CG2-O 3.48Å; I153-L184 HydrophobicContact CD1-CB 4.29Å; I153-L184 HydrophobicContact CD1-CD2 4.39Å; I153-L184 HydrophobicContact CG1-CD2 4.37Å; I153-N185 HydrophobicContact CB-CB 4.12Å; I153-N185 VanDerWaalsContact CD1-O 3.3Å; I153-N185 WeakPolarHBondContact CD1-O 3.16Å; I153-N185 HydrophobicContact CG2-CB 4.34Å; I153-N185 WeakPolarHBondContact O-CB 3.43Å; I153-N185 PolarHBondContact O-ND2 2.78Å; I153-E186 WeakPolarHBondContact CG2-O 3.31Å
154	N	90.7	Very high	90.6	Very high	95 Å²	95	55.5 Å²	55.5	51%	0.508	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.1	26.4	-177.5	-85.2	-48	0	0	0	114.4	V166 E186 A188	N154-V166 WeakPolarHBondContact CA-O 3.48Å; N154-V166 PolarHBondContact N-O 2.75Å; N154-E186 PolarHBondContact ND2-O 2.78Å; N154-A188 WeakPolarHBondContact OD1-CB 3.3Å
155	K	90.7	Very high	91	Very high	88 Å²	88	53.4 Å²	53.4	38%	0.383	27%	0.267	S	S	.	.			trans	-114.5	136.8	177.5	-168.3	173.5	176.1	-170.8	0	110.7	H150 N152 I153 V166	H150-K155 WeakPolarHBondContact O-CD 3.41Å; H150-K155 WeakPolarHBondContact O-CE 3.41Å; H150-K155 PolarHBondContact O-NZ 2.89Å; N152-K155 HydrophobicContact CB-CB 4.37Å; N152-K155 HydrophobicContact CB-CD 4.31Å; N152-K155 WeakPolarHBondContact O-CB 3.31Å; I153-K155 PolarHBondContact O-N 2.78Å; K155-V166 PolarHBondContact O-N 2.72Å
156	D	92.6	Very high	91.3	Very high	107 Å²	107	49.3 Å²	49.3	57%	0.572	25%	0.249	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-84.9	127.9	176.9	-64.3	-5.9	0	0	0	110	F164 T165	D156-F164 WeakPolarHBondContact CA-O 3.4Å; D156-T165 WeakPolarHBondContact OD1-CG2 3.41Å
157	I	92.3	Very high	91.4	Very high	4 Å²	4	49 Å²	49	2%	0.021	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.3	130.5	-177.6	-51.5	-177.9	0	0	0	108.3	Y146 F151 F159 F164 V166	Y146-I157 HydrophobicContact CD1-CG2 4.28Å; Y146-I157 HydrophobicContact CE1-CG2 3.6Å; Y146-I157 HydrophobicContact CE2-CG2 4.49Å; F151-I157 HydrophobicContact CD1-CD1 3.33Å; F151-I157 HydrophobicContact CE1-CD1 3.56Å; F151-I157 HydrophobicContact CG-CD1 4.18Å; I157-F159 HydrophobicContact CB-CZ 4.47Å; I157-F159 HydrophobicContact CG2-CD1 3.91Å; I157-F159 HydrophobicContact CG2-CE1 3.29Å; I157-F159 HydrophobicContact CG2-CE2 4.31Å; I157-F159 HydrophobicContact CG2-CZ 3.53Å; I157-F164 PolarHBondContact N-O 2.77Å; I157-F164 PolarHBondContact O-N 3.04Å; I157-V166 HydrophobicContact CD1-CG2 3.54Å; I157-V166 HydrophobicContact CG1-CG2 4.2Å
158	V	93.1	Very high	91.7	Very high	44 Å²	44	50 Å²	50	27%	0.267	25%	0.254	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	111.6	-177.2	-176.1	0	0	0	0	109.6	P138 Y146 R162 T163	P138-V158 HydrophobicContact CB-CG1 4.48Å; P138-V158 HydrophobicContact CG-CB 4.35Å; Y146-V158 WeakPolarHBondContact CE2-O 3.49Å; Y146-V158 PolarHBondContact OH-N 2.8Å; Y146-V158 PolarHBondContact OH-O 3.29Å; V158-R162 CarbonylContact C-O 3.59Å; V158-R162 WeakPolarHBondContact CA-O 2.94Å; V158-T163 HydrophobicContact CG2-CG2 3.95Å
159	F	92.7	Very high	91.9	Very high	1 Å²	1	50.1 Å²	50.1	0%	0.004	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	121.6	169.6	-56.4	-37.1	0	0	0	109.4	I103 I112 V114 I130 I135 Y146 F151 I157 S161 R162 F164	I103-F159 HydrophobicContact CD1-CE2 3.88Å; I103-F159 HydrophobicContact CG1-CE2 4.2Å; I103-F159 HydrophobicContact CG2-CE2 4.01Å; I103-F159 HydrophobicContact CG2-CZ 4.23Å; I112-F159 HydrophobicContact CD1-CE1 4.02Å; I112-F159 HydrophobicContact CD1-CZ 4.18Å; I112-F159 HydrophobicContact CG2-CE2 4.1Å; I112-F159 HydrophobicContact CG2-CZ 3.94Å; V114-F159 HydrophobicContact CG2-CD2 3.91Å; V114-F159 HydrophobicContact CG2-CE2 3.88Å; I130-F159 HydrophobicContact CD1-CB 3.68Å; I130-F159 HydrophobicContact CD1-CD2 4.11Å; I130-F159 HydrophobicContact CD1-CG 4.25Å; I135-F159 HydrophobicContact CB-CD1 4.47Å; I135-F159 HydrophobicContact CD1-CB 4.3Å; I135-F159 HydrophobicContact CD1-CD1 3.81Å; I135-F159 HydrophobicContact CD1-CD2 4.33Å; I135-F159 HydrophobicContact CD1-CE1 4.13Å; I135-F159 HydrophobicContact CD1-CG 3.91Å; I135-F159 HydrophobicContact CG2-CD1 3.89Å; Y146-F159 HydrophobicContact CD2-CD1 4.12Å; Y146-F159 AromaticContact CD2-CE1 3.83Å; Y146-F159 HydrophobicContact CD2-CE1 3.83Å; Y146-F159 HydrophobicContact CE1-CE1 4.5Å; Y146-F159 AromaticContact CE2-CD1 3.76Å; Y146-F159 HydrophobicContact CE2-CD1 3.76Å; Y146-F159 AromaticContact CE2-CE1 3.78Å; Y146-F159 HydrophobicContact CE2-CE1 3.78Å; Y146-F159 HydrophobicContact CG-CE1 4.22Å; F151-F159 HydrophobicContact CE1-CZ 4.05Å; F151-F159 HydrophobicContact CZ-CZ 4.12Å; I157-F159 HydrophobicContact CB-CZ 4.47Å; I157-F159 HydrophobicContact CG2-CD1 3.91Å; I157-F159 HydrophobicContact CG2-CE1 3.29Å; I157-F159 HydrophobicContact CG2-CE2 4.31Å; I157-F159 HydrophobicContact CG2-CZ 3.53Å; F159-S161 VanDerWaalsContact C-N 3.29Å; F159-S161 PolarHBondContact O-N 3.15Å; F159-R162 PolarHBondContact N-O 3.4Å; F159-R162 WeakPolarHBondContact O-CB 3.32Å; F159-R162 PolarHBondContact O-N 2.94Å; F159-F164 HydrophobicContact CB-CD2 4.12Å; F159-F164 HydrophobicContact CB-CE2 3.87Å; F159-F164 AromaticContact CD2-CD2 3.58Å; F159-F164 HydrophobicContact CD2-CD2 3.58Å; F159-F164 AromaticContact CD2-CE2 3.79Å; F159-F164 HydrophobicContact CD2-CE2 3.79Å; F159-F164 HydrophobicContact CD2-CG 4.28Å; F159-F164 HydrophobicContact CE2-CD2 4.39Å; F159-F164 HydrophobicContact CG-CD2 4.13Å; F159-F164 HydrophobicContact CG-CE2 4.26Å
160	Y	90.2	Very high	92.2	Very high	124 Å²	124	48.9 Å²	48.9	49%	0.486	25%	0.253	S	S	.	.	T	Hydrogen-bonded Turn	trans	45.1	51.7	177.3	-62.2	-62.4	0	0	0	113.5	I130 H133 I135 R162	I130-Y160 HydrophobicContact CD1-CD2 4.23Å; I130-Y160 HydrophobicContact CG2-CE2 4.33Å; H133-Y160 AromaticContact CE1-CE2 3.91Å; H133-Y160 AromaticContact NE2-CE2 3.57Å; H133-Y160 AromaticContact NE2-CZ 3.51Å; H133-Y160 PolarHBondContact NE2-OH 3.02Å; I135-Y160 HydrophobicContact CD1-CE2 4.48Å; I135-Y160 HydrophobicContact CG1-CE2 4.24Å; I135-Y160 HydrophobicContact CG2-CE2 4.17Å; Y160-R162 PolarHBondContact O-N 3Å
161	S	87	Confident	92.5	Very high	120 Å²	120	51.5 Å²	51.5	84%	0.839	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	65.3	14.2	-179.8	-50.8	0	0	0	0	115.8	F159	F159-S161 VanDerWaalsContact C-N 3.29Å; F159-S161 PolarHBondContact O-N 3.15Å
162	R	90.6	Very high	92.6	Very high	113 Å²	113	55.2 Å²	55.2	43%	0.426	29%	0.285	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	133.4	169.5	-64.1	-176.5	179.3	-166.8	-3	110.6	V158 F159 Y160 F164	V158-R162 CarbonylContact C-O 3.59Å; V158-R162 WeakPolarHBondContact CA-O 2.94Å; F159-R162 PolarHBondContact N-O 3.4Å; F159-R162 WeakPolarHBondContact O-CB 3.32Å; F159-R162 PolarHBondContact O-N 2.94Å; Y160-R162 PolarHBondContact O-N 3Å; R162-F164 HydrophobicContact CB-CD2 4.41Å; R162-F164 HydrophobicContact CB-CE2 3.74Å; R162-F164 HydrophobicContact CB-CZ 4.31Å
163	T	93.2	Very high	92.7	Very high	77 Å²	77	53.9 Å²	53.9	47%	0.472	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	114.4	177.7	43.9	0	0	0	0	110.4	F84 V158	F84-T163 WeakPolarHBondContact CB-O 3.24Å; V158-T163 HydrophobicContact CG2-CG2 3.95Å
164	F	94.8	Very high	92.8	Very high	2 Å²	2	56.8 Å²	56.8	1%	0.009	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	124.9	173.3	-65.7	-92.5	0	0	0	109.3	Y83 F84 C101 I103 V114 D156 I157 F159 R162	Y83-F164 WeakPolarHBondContact O-CA 3.17Å; F84-F164 HydrophobicContact CB-CD1 3.96Å; F84-F164 HydrophobicContact CB-CE1 4.13Å; F84-F164 HydrophobicContact CB-CG 4.42Å; F84-F164 AromaticContact CD1-CD1 3.97Å; F84-F164 HydrophobicContact CD1-CD1 3.97Å; F84-F164 AromaticContact CD1-CE1 3.43Å; F84-F164 HydrophobicContact CD1-CE1 3.43Å; F84-F164 VanDerWaalsContact CD1-CE1 3.43Å; F84-F164 HydrophobicContact CD1-CZ 4.15Å; F84-F164 HydrophobicContact CE1-CE1 4.1Å; F84-F164 HydrophobicContact CG-CD1 4.34Å; F84-F164 HydrophobicContact CG-CE1 4.01Å; C101-F164 HydrophobicContact CB-CE1 4.38Å; I103-F164 HydrophobicContact CD1-CB 4.15Å; V114-F164 HydrophobicContact CG1-CE1 4.04Å; V114-F164 HydrophobicContact CG1-CZ 4.38Å; D156-F164 WeakPolarHBondContact CA-O 3.4Å; I157-F164 PolarHBondContact N-O 2.77Å; I157-F164 PolarHBondContact O-N 3.04Å; F159-F164 HydrophobicContact CB-CD2 4.12Å; F159-F164 HydrophobicContact CB-CE2 3.87Å; F159-F164 AromaticContact CD2-CD2 3.58Å; F159-F164 HydrophobicContact CD2-CD2 3.58Å; F159-F164 AromaticContact CD2-CE2 3.79Å; F159-F164 HydrophobicContact CD2-CE2 3.79Å; F159-F164 HydrophobicContact CD2-CG 4.28Å; F159-F164 HydrophobicContact CE2-CD2 4.39Å; F159-F164 HydrophobicContact CG-CD2 4.13Å; F159-F164 HydrophobicContact CG-CE2 4.26Å; R162-F164 HydrophobicContact CB-CD2 4.41Å; R162-F164 HydrophobicContact CB-CE2 3.74Å; R162-F164 HydrophobicContact CB-CZ 4.31Å
165	T	94.1	Very high	92.9	Very high	25 Å²	25	56.3 Å²	56.3	15%	0.153	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	116	174.5	56.8	0	0	0	0	108.4	A82 Y83 D156 T167	A82-T165 CarbonylContact C-O 3.57Å; A82-T165 WeakPolarHBondContact CA-O 3.35Å; A82-T165 WeakPolarHBondContact CB-O 3.39Å; Y83-T165 WeakPolarHBondContact CD1-OG1 3.11Å; Y83-T165 WeakPolarHBondContact CD2-OG1 3.24Å; Y83-T165 WeakPolarHBondContact CE1-OG1 3.49Å; Y83-T165 HydrophobicContact CE2-CG2 4.47Å; Y83-T165 VanDerWaalsContact CE2-OG1 3.24Å; Y83-T165 WeakPolarHBondContact CE2-OG1 2.99Å; Y83-T165 PolarHBondContact N-O 3.18Å; Y83-T165 PolarHBondContact O-N 3.5Å; Y83-T165 PolarHBondContact O-OG1 3.41Å; Y83-T165 VanDerWaalsContact O-OG1 3.11Å; D156-T165 WeakPolarHBondContact OD1-CG2 3.41Å; T165-T167 PolarHBondContact O-N 2.83Å
166	V	95.3	Very high	93	Very high	0 Å²	0	53.3 Å²	53.3	0%	0	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	122.9	178.2	178.5	0	0	0	0	109.6	F80 A82 I103 N152 N154 K155 I157	F80-V166 HydrophobicContact CB-CG1 3.96Å; F80-V166 HydrophobicContact CD1-CG1 3.94Å; F80-V166 HydrophobicContact CG-CG1 4.32Å; A82-V166 HydrophobicContact CB-CG2 4.5Å; I103-V166 HydrophobicContact CD1-CG2 4.29Å; N152-V166 WeakPolarHBondContact O-CB 3.3Å; N154-V166 WeakPolarHBondContact CA-O 3.48Å; N154-V166 PolarHBondContact N-O 2.75Å; K155-V166 PolarHBondContact O-N 2.72Å; I157-V166 HydrophobicContact CD1-CG2 3.54Å; I157-V166 HydrophobicContact CG1-CG2 4.2Å
167	T	93.6	Very high	92.9	Very high	8 Å²	8	48.2 Å²	48.2	5%	0.049	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	-44.4	-175.5	51.2	0	0	0	0	113.4	D81 Y83 I153 T165 A188 V190	D81-T167 PolarHBondContact O-N 3.13Å; D81-T167 PolarHBondContact O-OG1 3Å; Y83-T167 HydrophobicContact CD1-CG2 3.37Å; Y83-T167 HydrophobicContact CE1-CG2 3.45Å; Y83-T167 VanDerWaalsContact CE1-CG2 3.45Å; I153-T167 VanDerWaalsContact CG2-O 3.31Å; I153-T167 WeakPolarHBondContact CG2-O 3.48Å; T165-T167 PolarHBondContact O-N 2.83Å; T167-A188 HydrophobicContact CG2-CB 4.13Å; T167-A188 PolarHBondContact O-N 3.23Å; T167-V190 HydrophobicContact CG2-CG2 3.98Å
168	D	94.9	Very high	92.8	Very high	50 Å²	50	51.5 Å²	51.5	27%	0.267	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	170.5	-179.3	-164.4	14.8	0	0	0	109.7	D81 K174 P187	D81-D168 PolarHBondContact N-O 3.47Å; D81-D168 PolarHBondContact O-N 2.86Å; D168-K174 VanDerWaalsContact OD1-CE 3.31Å; D168-K174 WeakPolarHBondContact OD1-CE 3.47Å; D168-K174 IonicContact OD1-NZ 3.62Å; D168-K174 PolarHBondContact OD1-NZ 2.78Å; D168-K174 IonicContact OD2-NZ 2.78Å; D168-P187 HydrophobicContact CB-CB 4.5Å
169	C	93.1	Very high	92.6	Very high	3 Å²	3	58 Å²	58	2%	0.02	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142	155	177.3	70.6	0	0	0	0	111.6	F80 T173 K174	F80-C169 HydrophobicContact CD1-CB 3.53Å; F80-C169 HydrophobicContact CE1-CB 3.94Å; F80-C169 HydrophobicContact CG-CB 4.4Å; C169-T173 WeakPolarHBondContact CB-OG1 3.35Å; C169-T173 PolarHBondContact SG-OG1 2.88Å; C169-K174 WeakPolarHBondContact O-CE 3.34Å; C169-K174 PolarHBondContact O-NZ 3.01Å; C169-K174 VanDerWaalsContact SG-CE 3.55Å; C169-K174 WeakPolarHBondContact SG-CG 3.29Å
170	D	94.3	Very high	92.3	Very high	75 Å²	75	59.6 Å²	59.6	40%	0.401	30%	0.304	S	S	.	.			trans	-66.3	156.3	-176.8	-166.1	4.8	0	0	0	111.5	R79 F172 T173 K174	R79-D170 HydrophobicContact CB-CB 4.21Å; R79-D170 PolarHBondContact O-N 2.99Å; R79-D170 VanDerWaalsContact O-N 3.12Å; D170-F172 PolarHBondContact O-N 3.3Å; D170-T173 HydrophobicContact CB-CG2 4.26Å; D170-T173 PolarHBondContact N-OG1 2.85Å; D170-T173 VanDerWaalsContact N-OG1 3.12Å; D170-T173 WeakPolarHBondContact O-CA 3.42Å; D170-T173 WeakPolarHBondContact O-CB 3.46Å; D170-T173 PolarHBondContact O-N 2.65Å; D170-T173 PolarHBondContact O-OG1 2.8Å; D170-K174 PolarHBondContact O-N 3.27Å
171	L	94.6	Very high	92.1	Very high	116 Å²	116	56.7 Å²	56.7	61%	0.607	31%	0.312	S	S	*	.	H	α-helix	trans	-57.2	-38.6	-178.8	-177.4	62.1	0	0	0	112.1	T173 K174 N175	L171-T173 VanDerWaalsContact C-N 3.32Å; L171-T173 PolarHBondContact O-N 2.88Å; L171-K174 PolarHBondContact O-N 2.83Å; L171-N175 PolarHBondContact O-N 2.93Å; L171-N175 VanDerWaalsContact O-N 3.11Å; L171-N175 PolarHBondContact O-ND2 2.79Å
172	F	94.3	Very high	92.1	Very high	79 Å²	79	52.2 Å²	52.2	35%	0.346	28%	0.278	S	S	.	.	H	α-helix	trans	-58	-46.3	174.2	172.1	-108.6	0	0	0	111.5	Q76 T77 L78 D170 N175 F176	Q76-F172 HydrophobicContact CB-CZ 4.12Å; Q76-F172 HydrophobicContact CG-CZ 4.41Å; T77-F172 WeakPolarHBondContact O-CD1 3.28Å; T77-F172 WeakPolarHBondContact O-CE1 3.49Å; L78-F172 HydrophobicContact CD2-CD1 4.25Å; L78-F172 HydrophobicContact CD2-CE1 3.91Å; D170-F172 PolarHBondContact O-N 3.3Å; F172-N175 PolarHBondContact O-N 3.41Å; F172-F176 HydrophobicContact CZ-CD2 4.43Å; F172-F176 WeakPolarHBondContact O-CB 3.08Å; F172-F176 PolarHBondContact O-N 3.25Å
173	T	93.6	Very high	91.9	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-67.5	-37.9	-179.7	67.3	0	0	0	0	112.7	L78 R79 C169 D170 L171 N175 F176 L177	L78-T173 HydrophobicContact CB-CG2 3.69Å; L78-T173 HydrophobicContact CD2-CG2 3.72Å; L78-T173 HydrophobicContact CG-CG2 4.32Å; R79-T173 WeakPolarHBondContact O-CG2 3.36Å; C169-T173 WeakPolarHBondContact CB-OG1 3.35Å; C169-T173 PolarHBondContact SG-OG1 2.88Å; D170-T173 HydrophobicContact CB-CG2 4.26Å; D170-T173 PolarHBondContact N-OG1 2.85Å; D170-T173 VanDerWaalsContact N-OG1 3.12Å; D170-T173 WeakPolarHBondContact O-CA 3.42Å; D170-T173 WeakPolarHBondContact O-CB 3.46Å; D170-T173 PolarHBondContact O-N 2.65Å; D170-T173 PolarHBondContact O-OG1 2.8Å; L171-T173 VanDerWaalsContact C-N 3.32Å; L171-T173 PolarHBondContact O-N 2.88Å; T173-N175 VanDerWaalsContact C-N 3.33Å; T173-N175 PolarHBondContact O-N 2.97Å; T173-F176 PolarHBondContact O-N 2.75Å; T173-L177 WeakPolarHBondContact O-CB 3.37Å; T173-L177 VanDerWaalsContact O-CG 3.24Å; T173-L177 WeakPolarHBondContact O-CG 3.12Å; T173-L177 PolarHBondContact O-N 2.81Å
174	K	92.4	Very high	91.7	Very high	61 Å²	61	51 Å²	51	27%	0.265	28%	0.282	S	S	.	.	H	α-helix	trans	-56.8	-50.2	174.8	-71.3	179.6	174.2	161.9	0	111	D168 C169 D170 L171 S178 L184	D168-K174 VanDerWaalsContact OD1-CE 3.31Å; D168-K174 WeakPolarHBondContact OD1-CE 3.47Å; D168-K174 IonicContact OD1-NZ 3.62Å; D168-K174 PolarHBondContact OD1-NZ 2.78Å; D168-K174 IonicContact OD2-NZ 2.78Å; C169-K174 WeakPolarHBondContact O-CE 3.34Å; C169-K174 PolarHBondContact O-NZ 3.01Å; C169-K174 VanDerWaalsContact SG-CE 3.55Å; C169-K174 WeakPolarHBondContact SG-CG 3.29Å; D170-K174 PolarHBondContact O-N 3.27Å; L171-K174 PolarHBondContact O-N 2.83Å; K174-S178 VanDerWaalsContact O-CB 3.26Å; K174-S178 WeakPolarHBondContact O-CB 3.12Å; K174-S178 PolarHBondContact O-N 2.98Å; K174-S178 PolarHBondContact O-OG 2.91Å; K174-L184 HydrophobicContact CB-CD1 4.04Å; K174-L184 HydrophobicContact CG-CD1 3.76Å
175	N	93.8	Very high	91.5	Very high	86 Å²	86	54.6 Å²	54.6	46%	0.46	30%	0.301	S	S	.	.	H	α-helix	trans	-66.6	-41.5	179.5	-67.2	-19.9	0	0	0	112	L171 F172 T173 K179	L171-N175 PolarHBondContact O-N 2.93Å; L171-N175 VanDerWaalsContact O-N 3.11Å; L171-N175 PolarHBondContact O-ND2 2.79Å; F172-N175 PolarHBondContact O-N 3.41Å; T173-N175 VanDerWaalsContact C-N 3.33Å; T173-N175 PolarHBondContact O-N 2.97Å; N175-K179 WeakPolarHBondContact O-CB 3.34Å; N175-K179 VanDerWaalsContact O-CG 3.3Å; N175-K179 WeakPolarHBondContact O-CG 3.49Å; N175-K179 PolarHBondContact O-N 2.62Å
176	F	91.7	Very high	91.3	Very high	24 Å²	24	61.3 Å²	61.3	11%	0.105	33%	0.331	C	S	.	.	H	α-helix	trans	-65.2	-49	-179.5	-175.7	-95.3	0	0	0	112	Y59 F73 L78 L107 F172 T173 S178 K179 L180	Y59-F176 HydrophobicContact CD1-CZ 4.38Å; Y59-F176 HydrophobicContact CE1-CE1 4.25Å; Y59-F176 AromaticContact CE1-CZ 3.91Å; Y59-F176 HydrophobicContact CE1-CZ 3.91Å; F73-F176 HydrophobicContact CD1-CE2 4.44Å; F73-F176 AromaticContact CE1-CE2 3.96Å; F73-F176 HydrophobicContact CE1-CE2 3.96Å; F73-F176 HydrophobicContact CE1-CZ 4.31Å; L78-F176 HydrophobicContact CD1-CD1 4.01Å; L78-F176 HydrophobicContact CD1-CE1 4.16Å; L78-F176 HydrophobicContact CD2-CB 3.99Å; L78-F176 HydrophobicContact CD2-CD1 3.56Å; L78-F176 HydrophobicContact CD2-CE1 4.22Å; L78-F176 HydrophobicContact CD2-CG 3.9Å; L78-F176 HydrophobicContact CG-CD1 4.32Å; L107-F176 HydrophobicContact CD1-CD1 4.41Å; L107-F176 HydrophobicContact CD1-CD2 4.26Å; L107-F176 HydrophobicContact CD1-CE1 3.88Å; L107-F176 HydrophobicContact CD1-CE2 3.75Å; L107-F176 HydrophobicContact CD1-CZ 3.53Å; L107-F176 HydrophobicContact CD2-CD1 4.43Å; L107-F176 HydrophobicContact CD2-CE1 3.49Å; L107-F176 VanDerWaalsContact CD2-CE1 3.49Å; L107-F176 HydrophobicContact CD2-CZ 3.63Å; L107-F176 HydrophobicContact CG-CE1 4.36Å; L107-F176 HydrophobicContact CG-CZ 4.23Å; F172-F176 HydrophobicContact CZ-CD2 4.43Å; F172-F176 WeakPolarHBondContact O-CB 3.08Å; F172-F176 PolarHBondContact O-N 3.25Å; T173-F176 PolarHBondContact O-N 2.75Å; F176-S178 VanDerWaalsContact C-N 3.33Å; F176-S178 PolarHBondContact O-N 2.99Å; F176-K179 WeakPolarHBondContact O-CB 3.5Å; F176-K179 PolarHBondContact O-N 3Å; F176-L180 HydrophobicContact CD1-CD1 3.76Å; F176-L180 HydrophobicContact CD1-CG 4.32Å; F176-L180 HydrophobicContact CE1-CD1 3.22Å; F176-L180 HydrophobicContact CE1-CG 4.02Å; F176-L180 HydrophobicContact CZ-CD1 3.82Å; F176-L180 HydrophobicContact CZ-CG 4.33Å; F176-L180 WeakPolarHBondContact O-CG 3.3Å; F176-L180 PolarHBondContact O-N 3.4Å
177	L	90.8	Very high	91	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	36%	0.357	C	S	.	.	H	α-helix	trans	-65.5	-37.9	178.9	-65.9	172.1	0	0	0	111.4	L78 F80 V148 T173 K179 L180 G181 I182 L184	L78-L177 HydrophobicContact CD1-CD2 4.19Å; F80-L177 HydrophobicContact CE1-CD1 3.85Å; F80-L177 HydrophobicContact CZ-CD1 3.91Å; V148-L177 HydrophobicContact CG1-CD2 3.56Å; T173-L177 WeakPolarHBondContact O-CB 3.37Å; T173-L177 VanDerWaalsContact O-CG 3.24Å; T173-L177 WeakPolarHBondContact O-CG 3.12Å; T173-L177 PolarHBondContact O-N 2.81Å; L177-K179 PolarHBondContact O-N 2.83Å; L177-L180 CarbonylContact O-C 3.56Å; L177-L180 PolarHBondContact O-N 3.11Å; L177-G181 PolarHBondContact O-N 3.11Å; L177-I182 HydrophobicContact CB-CB 4.24Å; L177-I182 HydrophobicContact CD2-CD1 3.62Å; L177-I182 PolarHBondContact O-N 2.85Å; L177-L184 HydrophobicContact CB-CD1 4.37Å; L177-L184 HydrophobicContact CB-CD2 4.48Å; L177-L184 HydrophobicContact CB-CG 4.41Å; L177-L184 HydrophobicContact CD1-CD1 4.3Å; L177-L184 HydrophobicContact CD1-CD2 3.75Å; L177-L184 HydrophobicContact CD1-CG 4.42Å
178	S	90.6	Very high	90.7	Very high	74 Å²	74	66.1 Å²	66.1	52%	0.517	36%	0.364	S	S	.	.	H	α-helix	trans	-62.1	-41.3	173.8	-60	0	0	0	0	111.9	K174 F176 L180 G181	K174-S178 VanDerWaalsContact O-CB 3.26Å; K174-S178 WeakPolarHBondContact O-CB 3.12Å; K174-S178 PolarHBondContact O-N 2.98Å; K174-S178 PolarHBondContact O-OG 2.91Å; F176-S178 VanDerWaalsContact C-N 3.33Å; F176-S178 PolarHBondContact O-N 2.99Å; S178-L180 VanDerWaalsContact C-N 3.33Å; S178-L180 PolarHBondContact O-N 3.2Å; S178-G181 PolarHBondContact O-N 3.45Å; S178-G181 VanDerWaalsContact O-N 3.09Å
179	K	89.1	Confident	90.3	Very high	181 Å²	181	69.9 Å²	69.9	79%	0.787	39%	0.389	S	S	*	.	H	α-helix	trans	-66.1	-32.5	174.3	-76.2	177.3	-179.8	-176	0	113.1	N175 F176 L177 G181	N175-K179 WeakPolarHBondContact O-CB 3.34Å; N175-K179 VanDerWaalsContact O-CG 3.3Å; N175-K179 WeakPolarHBondContact O-CG 3.49Å; N175-K179 PolarHBondContact O-N 2.62Å; F176-K179 WeakPolarHBondContact O-CB 3.5Å; F176-K179 PolarHBondContact O-N 3Å; L177-K179 PolarHBondContact O-N 2.83Å; K179-G181 PolarHBondContact O-N 3.47Å
180	L	86.4	Confident	90	Very high	34 Å²	34	71.9 Å²	71.9	18%	0.178	40%	0.401	C	S	.	.	T	Hydrogen-bonded Turn	trans	-75.1	-4.7	172.8	-69.6	-178.4	0	0	0	113.5	Y59 P60 V148 F176 L177 S178 I182	Y59-L180 HydrophobicContact CD1-CD1 4.18Å; Y59-L180 HydrophobicContact CD1-CD2 3.85Å; Y59-L180 HydrophobicContact CE1-CD1 4.12Å; P60-L180 HydrophobicContact CG-CD2 4.19Å; V148-L180 HydrophobicContact CG1-CD1 4.04Å; F176-L180 HydrophobicContact CD1-CD1 3.76Å; F176-L180 HydrophobicContact CD1-CG 4.32Å; F176-L180 HydrophobicContact CE1-CD1 3.22Å; F176-L180 HydrophobicContact CE1-CG 4.02Å; F176-L180 HydrophobicContact CZ-CD1 3.82Å; F176-L180 HydrophobicContact CZ-CG 4.33Å; F176-L180 WeakPolarHBondContact O-CG 3.3Å; F176-L180 PolarHBondContact O-N 3.4Å; L177-L180 CarbonylContact O-C 3.56Å; L177-L180 PolarHBondContact O-N 3.11Å; S178-L180 VanDerWaalsContact C-N 3.33Å; S178-L180 PolarHBondContact O-N 3.2Å; L180-I182 HydrophobicContact CB-CD1 4.47Å
181	G	85.3	Confident	89.6	Confident	63 Å²	63	70.5 Å²	70.5	65%	0.649	40%	0.396	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.1	15.7	179.8	0	0	0	0	0	114.5	L177 S178 K179	L177-G181 PolarHBondContact O-N 3.11Å; S178-G181 PolarHBondContact O-N 3.45Å; S178-G181 VanDerWaalsContact O-N 3.09Å; K179-G181 PolarHBondContact O-N 3.47Å
182	I	87.6	Confident	88.9	Confident	26 Å²	26	72.2 Å²	72.2	13%	0.133	40%	0.401	C	S	.	.			trans	-90.5	118.5	175.4	-59.7	163.9	0	0	0	108.6	V148 F149 L177 L180 L184	V148-I182 HydrophobicContact CG1-CD1 4.43Å; F149-I182 HydrophobicContact CD1-CD1 3.66Å; F149-I182 HydrophobicContact CD1-CG1 4.04Å; F149-I182 HydrophobicContact CE1-CD1 4.07Å; F149-I182 HydrophobicContact CE1-CG1 4.35Å; L177-I182 HydrophobicContact CB-CB 4.24Å; L177-I182 HydrophobicContact CD2-CD1 3.62Å; L177-I182 PolarHBondContact O-N 2.85Å; L180-I182 HydrophobicContact CB-CD1 4.47Å; I182-L184 PolarHBondContact O-N 3.48Å
183	T	87.3	Confident	88.2	Confident	122 Å²	122	69 Å²	69	75%	0.748	39%	0.387	S	S	*	.			trans	-81	114.8	173.3	53.8	0	0	0	0	110.2	N152	N152-T183 PolarHBondContact ND2-O 2.81Å
184	L	88.9	Confident	87.5	Confident	43 Å²	43	71.7 Å²	71.7	23%	0.225	41%	0.405	C	S	.	.	P	Polyproline II helix	trans	-77.3	141.9	179.5	-73.7	175.8	0	0	0	112	N152 I153 K174 L177 I182	N152-L184 WeakPolarHBondContact OD1-CD2 3.23Å; I153-L184 HydrophobicContact CD1-CB 4.29Å; I153-L184 HydrophobicContact CD1-CD2 4.39Å; I153-L184 HydrophobicContact CG1-CD2 4.37Å; K174-L184 HydrophobicContact CB-CD1 4.04Å; K174-L184 HydrophobicContact CG-CD1 3.76Å; L177-L184 HydrophobicContact CB-CD1 4.37Å; L177-L184 HydrophobicContact CB-CD2 4.48Å; L177-L184 HydrophobicContact CB-CG 4.41Å; L177-L184 HydrophobicContact CD1-CD1 4.3Å; L177-L184 HydrophobicContact CD1-CD2 3.75Å; L177-L184 HydrophobicContact CD1-CG 4.42Å; I182-L184 PolarHBondContact O-N 3.48Å
185	N	90.6	Very high	86.9	Confident	77 Å²	77	72 Å²	72	41%	0.412	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-74.8	163	173.1	-62.8	-23.7	0	0	0	111.5	N152 I153	N152-N185 PolarHBondContact OD1-N 3.39Å; I153-N185 HydrophobicContact CB-CB 4.12Å; I153-N185 VanDerWaalsContact CD1-O 3.3Å; I153-N185 WeakPolarHBondContact CD1-O 3.16Å; I153-N185 HydrophobicContact CG2-CB 4.34Å; I153-N185 WeakPolarHBondContact O-CB 3.43Å; I153-N185 PolarHBondContact O-ND2 2.78Å
186	E	88.5	Confident	86.1	Confident	165 Å²	165	70.8 Å²	70.8	77%	0.771	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-62.1	144.4	173.5	-67.3	-176.4	174.8	0	0	111.6	I153 N154 A188	I153-E186 WeakPolarHBondContact CG2-O 3.31Å; N154-E186 PolarHBondContact ND2-O 2.78Å; E186-A188 PolarHBondContact O-N 3.06Å
187	P	89.4	Confident	85.6	Confident	86 Å²	86	72.8 Å²	72.8	56%	0.558	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-60.5	134.5	-178.2	25.8	-34.2	0	0	0	111.6	D168	D168-P187 HydrophobicContact CB-CB 4.5Å
188	A	87.7	Confident	85	Confident	24 Å²	24	77 Å²	77	20%	0.198	44%	0.435	C	S	.	.	P	Polyproline II helix	trans	-86.4	143.1	177.7	0	0	0	0	0	111.6	N154 T167 E186	N154-A188 WeakPolarHBondContact OD1-CB 3.3Å; T167-A188 HydrophobicContact CG2-CB 4.13Å; T167-A188 PolarHBondContact O-N 3.23Å; E186-A188 PolarHBondContact O-N 3.06Å
189	T	86.6	Confident	84.4	Confident	129 Å²	129	75.7 Å²	75.7	79%	0.791	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-76.4	135.7	165.1	49.9	0	0	0	0	110
190	V	86.4	Confident	84	Confident	45 Å²	45	71.9 Å²	71.9	27%	0.273	41%	0.406	S	S	.	.	P	Polyproline II helix	trans	-68.4	131.1	168.9	-176.4	0	0	0	0	107.4	Y83 I98 K100 T167	Y83-V190 HydrophobicContact CD1-CB 4.35Å; Y83-V190 HydrophobicContact CD1-CG1 3.85Å; Y83-V190 HydrophobicContact CD1-CG2 4.17Å; Y83-V190 HydrophobicContact CE1-CG1 4.38Å; Y83-V190 HydrophobicContact CG-CG1 4.08Å; I98-V190 HydrophobicContact CG2-CG1 3.84Å; K100-V190 HydrophobicContact CG-CG1 4.41Å; T167-V190 HydrophobicContact CG2-CG2 3.98Å
191	P	86.6	Confident	83.8	Confident	45 Å²	45	76.5 Å²	76.5	29%	0.292	43%	0.427	S	S	.	.	P	Polyproline II helix	trans	-60.5	148.4	176.7	-16.1	26.5	0	0	0	111.1	Y83 I98	Y83-P191 HydrophobicContact CE1-CG 4.29Å; Y83-P191 HydrophobicContact CE2-CG 4.01Å; Y83-P191 VanDerWaalsContact OH-CD 3.32Å; Y83-P191 WeakPolarHBondContact OH-CD 3.5Å; Y83-P191 VanDerWaalsContact OH-CG 3.28Å; Y83-P191 WeakPolarHBondContact OH-CG 3.38Å; I98-P191 HydrophobicContact CD1-CB 3.68Å; I98-P191 HydrophobicContact CD1-CG 4.28Å; I98-P191 WeakPolarHBondContact CD1-O 3.32Å
192	E	79.9	Confident	83.5	Confident	152 Å²	152	78.5 Å²	78.5	71%	0.71	42%	0.419	S	S	*	.	P	Polyproline II helix	trans	-70.6	135.6	178.7	-66.9	-171.9	-169.1	0	0	111.2	N197	E192-N197 PolarHBondContact OE2-ND2 2.83Å; E192-N197 VanDerWaalsContact OE2-ND2 3.15Å
193	D	79.9	Confident	83	Confident	11 Å²	11	81.2 Å²	81.2	6%	0.059	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-100.1	118.5	177.5	172.1	24	0	0	0	109.3	I98 Y195 T196 N197	I98-D193 HydrophobicContact CB-CB 4.26Å; I98-D193 HydrophobicContact CD1-CB 4.35Å; D193-Y195 PolarHBondContact O-N 3.07Å; D193-Y195 VanDerWaalsContact O-N 3.16Å; D193-Y195 PolarHBondContact OD1-N 3.48Å; D193-T196 PolarHBondContact O-N 2.88Å; D193-T196 VanDerWaalsContact O-N 3.08Å; D193-T196 PolarHBondContact OD2-N 3.41Å; D193-T196 PolarHBondContact OD2-OG1 2.87Å; D193-N197 PolarHBondContact O-N 2.87Å
194	P	79.3	Confident	82.5	Confident	58 Å²	58	79.5 Å²	79.5	38%	0.377	43%	0.429	S	S	.	.	H	α-helix	trans	-52.4	-36.7	179	-26.2	34	0	0	0	113.3	L198	P194-L198 WeakPolarHBondContact O-CG 3.38Å; P194-L198 PolarHBondContact O-N 3.05Å; P194-L198 VanDerWaalsContact O-N 3.15Å
195	Y	77.9	Confident	81.9	Confident	67 Å²	67	81.4 Å²	81.4	26%	0.263	45%	0.446	S	S	.	.	H	α-helix	trans	-63	-47.6	178.4	-179.6	-111.8	0	0	0	112.1	E94 D193 N197 L198 R199	E94-Y195 VanDerWaalsContact OE1-CB 3.28Å; E94-Y195 WeakPolarHBondContact OE1-CB 3.39Å; E94-Y195 WeakPolarHBondContact OE1-CD2 3.4Å; D193-Y195 PolarHBondContact O-N 3.07Å; D193-Y195 VanDerWaalsContact O-N 3.16Å; D193-Y195 PolarHBondContact OD1-N 3.48Å; Y195-N197 VanDerWaalsContact C-N 3.29Å; Y195-N197 PolarHBondContact O-N 3.25Å; Y195-L198 PolarHBondContact O-N 2.92Å; Y195-R199 WeakPolarHBondContact O-CB 3.12Å; Y195-R199 PolarHBondContact O-N 2.61Å
196	T	77.6	Confident	80.9	Confident	60 Å²	60	83.6 Å²	83.6	37%	0.368	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-39.9	-176.9	-61.6	0	0	0	0	110.5	D193 R199 L200	D193-T196 PolarHBondContact O-N 2.88Å; D193-T196 VanDerWaalsContact O-N 3.08Å; D193-T196 PolarHBondContact OD2-N 3.41Å; D193-T196 PolarHBondContact OD2-OG1 2.87Å; T196-R199 PolarHBondContact O-N 3.29Å; T196-L200 HydrophobicContact CG2-CD1 4.21Å; T196-L200 VanDerWaalsContact O-CG 3.3Å; T196-L200 WeakPolarHBondContact O-CG 3.1Å; T196-L200 PolarHBondContact O-N 2.86Å
197	N	80.9	Confident	79.6	Confident	66 Å²	66	82.5 Å²	82.5	35%	0.353	46%	0.455	S	S	.	.	H	α-helix	trans	-66.9	-47.6	177.7	-75.1	-12.9	0	0	0	112.6	E192 D193 Y195 R199 L200 Q201	E192-N197 PolarHBondContact OE2-ND2 2.83Å; E192-N197 VanDerWaalsContact OE2-ND2 3.15Å; D193-N197 PolarHBondContact O-N 2.87Å; Y195-N197 VanDerWaalsContact C-N 3.29Å; Y195-N197 PolarHBondContact O-N 3.25Å; N197-R199 PolarHBondContact O-N 3.12Å; N197-L200 PolarHBondContact O-N 2.67Å; N197-Q201 WeakPolarHBondContact O-CG 3.39Å; N197-Q201 PolarHBondContact O-N 3.19Å; N197-Q201 VanDerWaalsContact O-N 3.09Å
198	L	79.3	Confident	78.2	Confident	88 Å²	88	82.9 Å²	82.9	46%	0.461	46%	0.457	S	S	.	.	H	α-helix	trans	-58.5	-39.9	176.4	-77.7	168.5	0	0	0	111.9	V93 P194 Y195 Q201 H202	V93-L198 HydrophobicContact CG1-CD1 3.55Å; P194-L198 WeakPolarHBondContact O-CG 3.38Å; P194-L198 PolarHBondContact O-N 3.05Å; P194-L198 VanDerWaalsContact O-N 3.15Å; Y195-L198 PolarHBondContact O-N 2.92Å; L198-Q201 PolarHBondContact O-N 2.91Å; L198-H202 PolarHBondContact O-N 3.19Å
199	R	78.4	Confident	76.9	Confident	48 Å²	48	90.4 Å²	90.4	18%	0.181	49%	0.493	C	S	.	.	H	α-helix	trans	-70.3	-41.5	-179.7	-175.9	170.3	166.7	-154.9	-22.3	113	K120 N121 Y195 T196 N197 Q201 H202 E203	K120-R199 PolarHBondContact O-NH1 3.18Å; K120-R199 PolarHBondContact O-NH2 2.79Å; N121-R199 PolarHBondContact O-NH1 2.78Å; Y195-R199 WeakPolarHBondContact O-CB 3.12Å; Y195-R199 PolarHBondContact O-N 2.61Å; T196-R199 PolarHBondContact O-N 3.29Å; N197-R199 PolarHBondContact O-N 3.12Å; R199-Q201 VanDerWaalsContact C-N 3.27Å; R199-Q201 PolarHBondContact O-N 3.04Å; R199-H202 PolarHBondContact O-N 2.82Å; R199-E203 IonicContact CZ-OE1 3.26Å; R199-E203 IonicContact NE-OE1 2.73Å; R199-E203 PolarHBondContact NE-OE1 3.36Å; R199-E203 IonicContact NH2-OE1 2.62Å; R199-E203 PolarHBondContact NH2-OE1 2.73Å; R199-E203 PolarHBondContact O-N 3.2Å
200	L	80.3	Confident	75.5	Confident	100 Å²	100	92.5 Å²	92.5	52%	0.524	49%	0.487	S	S	.	.	H	α-helix	trans	-60.6	-39.6	174.3	-74.8	170	0	0	0	111.3	T196 N197 A204	T196-L200 HydrophobicContact CG2-CD1 4.21Å; T196-L200 VanDerWaalsContact O-CG 3.3Å; T196-L200 WeakPolarHBondContact O-CG 3.1Å; T196-L200 PolarHBondContact O-N 2.86Å; N197-L200 PolarHBondContact O-N 2.67Å; L200-A204 VanDerWaalsContact O-CB 3.25Å; L200-A204 WeakPolarHBondContact O-CB 3.37Å; L200-A204 PolarHBondContact O-N 2.79Å
201	Q	81	Confident	74	Confident	132 Å²	132	93.5 Å²	93.5	62%	0.617	49%	0.494	S	S	*	.	H	α-helix	trans	-63.7	-43.2	174	-70	175.8	1.4	0	0	111.8	N197 L198 R199 A204 S205	N197-Q201 WeakPolarHBondContact O-CG 3.39Å; N197-Q201 PolarHBondContact O-N 3.19Å; N197-Q201 VanDerWaalsContact O-N 3.09Å; L198-Q201 PolarHBondContact O-N 2.91Å; R199-Q201 VanDerWaalsContact C-N 3.27Å; R199-Q201 PolarHBondContact O-N 3.04Å; Q201-A204 PolarHBondContact O-N 2.87Å; Q201-S205 WeakPolarHBondContact O-CB 3.41Å; Q201-S205 PolarHBondContact O-N 2.62Å; Q201-S205 PolarHBondContact O-OG 3.28Å
202	H	79.1	Confident	72.5	Confident	105 Å²	105	100.1 Å²	100.1	49%	0.486	52%	0.515	S	S	.	.	H	α-helix	trans	-64.5	-45.6	177.5	-174	-92.2	0	0	0	112.2	L198 R199 A204 S205 M206	L198-H202 PolarHBondContact O-N 3.19Å; R199-H202 PolarHBondContact O-N 2.82Å; H202-A204 VanDerWaalsContact C-N 3.35Å; H202-A204 PolarHBondContact O-N 2.82Å; H202-S205 PolarHBondContact O-N 3.32Å; H202-S205 PolarHBondContact O-OG 3.31Å; H202-M206 WeakPolarHBondContact CE1-CE 3.46Å; H202-M206 WeakPolarHBondContact O-CG 3.35Å; H202-M206 PolarHBondContact O-N 2.72Å; H202-M206 VanDerWaalsContact O-N 3.13Å
203	E	76.8	Confident	71.5	Confident	83 Å²	83	100.1 Å²	100.1	39%	0.388	52%	0.515	S	S	.	.	H	α-helix	trans	-63.1	-39.1	175.4	-74.3	180	-174.8	0	0	112	R199 S205 M206	R199-E203 IonicContact CZ-OE1 3.26Å; R199-E203 IonicContact NE-OE1 2.73Å; R199-E203 PolarHBondContact NE-OE1 3.36Å; R199-E203 IonicContact NH2-OE1 2.62Å; R199-E203 PolarHBondContact NH2-OE1 2.73Å; R199-E203 PolarHBondContact O-N 3.2Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.44Å; E203-M206 PolarHBondContact O-N 3.28Å
204	A	77.5	Confident	70.4	Confident	86 Å²	86	109.9 Å²	109.9	71%	0.711	55%	0.551	S	S	*	*	H	α-helix	trans	-67	-31.4	175.3	0	0	0	0	0	112.9	L200 Q201 H202 M206	L200-A204 VanDerWaalsContact O-CB 3.25Å; L200-A204 WeakPolarHBondContact O-CB 3.37Å; L200-A204 PolarHBondContact O-N 2.79Å; Q201-A204 PolarHBondContact O-N 2.87Å; H202-A204 VanDerWaalsContact C-N 3.35Å; H202-A204 PolarHBondContact O-N 2.82Å; A204-M206 VanDerWaalsContact C-N 3.33Å
205	S	76.8	Confident	69.6	Low	83 Å²	83	113.4 Å²	113.4	58%	0.58	57%	0.566	S	S	*	*	H	α-helix	trans	-79.1	-14.2	176.2	73.9	0	0	0	0	113.8	Q201 H202 E203 N207	Q201-S205 WeakPolarHBondContact O-CB 3.41Å; Q201-S205 PolarHBondContact O-N 2.62Å; Q201-S205 PolarHBondContact O-OG 3.28Å; H202-S205 PolarHBondContact O-N 3.32Å; H202-S205 PolarHBondContact O-OG 3.31Å; E203-S205 VanDerWaalsContact C-N 3.31Å; E203-S205 PolarHBondContact O-N 3.44Å; S205-N207 PolarHBondContact O-N 2.8Å
206	M	69.1	Low	69.2	Low	123 Å²	123	116.8 Å²	116.8	61%	0.606	58%	0.584	S	S	*	*			trans	-81.3	105.1	-179.8	-83.8	-170.3	152.3	0	0	111.3	H202 E203 A204	H202-M206 WeakPolarHBondContact CE1-CE 3.46Å; H202-M206 WeakPolarHBondContact O-CG 3.35Å; H202-M206 PolarHBondContact O-N 2.72Å; H202-M206 VanDerWaalsContact O-N 3.13Å; E203-M206 PolarHBondContact O-N 3.28Å; A204-M206 VanDerWaalsContact C-N 3.33Å
207	N	61	Low	68.9	Low	142 Å²	142	118.4 Å²	118.4	76%	0.759	60%	0.595	S	S	*	*			trans	-69.5	140.6	163.9	-71.1	-26.6	0	0	0	110	S205 L209	S205-N207 PolarHBondContact O-N 2.8Å; N207-L209 PolarHBondContact O-N 3.06Å
208	P	60.9	Low	69	Low	94 Å²	94	120.7 Å²	120.7	61%	0.61	61%	0.607	S	S	*	*			trans	-60.3	127.3	176	24.7	-32.6	0	0	0	110	R210	P208-R210 PolarHBondContact O-N 2.94Å
209	L	60.2	Low	69.4	Low	182 Å²	182	122.6 Å²	122.6	95%	0.953	61%	0.611	S	S	*	*	S	Bend	trans	-56.7	-18.3	179.2	-68.7	164.8	0	0	0	113.4	N207	N207-L209 PolarHBondContact O-N 3.06Å
210	R	56.6	Low	69.8	Low	172 Å²	172	123.6 Å²	123.6	65%	0.649	62%	0.618	S	S	*	*	S	Bend	trans	-138.8	103.7	171.6	-64.9	-176.4	-169.3	168.1	2.9	109.8	P208 Y212	P208-R210 PolarHBondContact O-N 2.94Å; R210-Y212 HydrophobicContact CB-CD2 4.33Å; R210-Y212 HydrophobicContact CB-CE2 4.07Å; R210-Y212 PolarHBondContact O-N 2.89Å; R210-Y212 VanDerWaalsContact O-N 3.15Å
211	P	54.7	Low	70.2	Confident	67 Å²	67	122.5 Å²	122.5	44%	0.435	61%	0.609	S	S	.	*			trans	-66.2	113.6	165.2	20.1	-20.9	0	0	0	107.7	R300	P211-R300 PolarHBondContact O-NH1 2.95Å; P211-R300 PolarHBondContact O-NH2 2.9Å
212	Y	54.7	Low	70.7	Confident	184 Å²	184	122 Å²	122	72%	0.722	61%	0.61	S	S	*	*			trans	-88.6	104.4	167.8	-81.1	-86.4	0	0	0	107.7	R210 R214	R210-Y212 HydrophobicContact CB-CD2 4.33Å; R210-Y212 HydrophobicContact CB-CE2 4.07Å; R210-Y212 PolarHBondContact O-N 2.89Å; R210-Y212 VanDerWaalsContact O-N 3.15Å; Y212-R214 PolarHBondContact O-N 3.02Å
213	E	58.9	Low	71.2	Confident	151 Å²	151	122 Å²	122	71%	0.706	61%	0.61	S	S	*	*			trans	-71.5	117.1	163.8	-70.7	-169.4	160.7	0	0	108.4	L215	E213-L215 PolarHBondContact O-N 3.02Å
214	R	57.7	Low	71.9	Confident	216 Å²	216	119.5 Å²	119.5	82%	0.815	60%	0.599	S	S	*	*			trans	-76.4	91.5	172.2	-71.1	-173.1	-171.6	165.9	2.9	108.6	Y212	Y212-R214 PolarHBondContact O-N 3.02Å
215	L	62.9	Low	72.5	Confident	132 Å²	132	120.4 Å²	120.4	69%	0.691	59%	0.593	S	S	*	*			trans	-68.6	137.8	163.3	-59.8	175.7	0	0	0	108.2	E213 P217	E213-L215 PolarHBondContact O-N 3.02Å; L215-P217 WeakPolarHBondContact O-CD 3.33Å
216	H	68.8	Low	73.1	Confident	139 Å²	139	119.8 Å²	119.8	64%	0.644	60%	0.599	S	S	*	*			trans	-106.7	55.4	176.7	-70.6	-71.6	0	0	0	112.6	L218 K219	H216-L218 PolarHBondContact O-N 3.31Å; H216-K219 HydrophobicContact CB-CB 4.28Å; H216-K219 PolarHBondContact O-N 3.27Å; H216-K219 VanDerWaalsContact O-N 3.16Å
217	P	70.7	Confident	74.3	Confident	93 Å²	93	118 Å²	118	60%	0.604	59%	0.588	S	S	*	*	H	α-helix	trans	-62.1	-30.7	-179	28.1	-34.3	0	0	0	112.1	L215 K219 Q220 F221	L215-P217 WeakPolarHBondContact O-CD 3.33Å; P217-K219 VanDerWaalsContact C-N 3.27Å; P217-K219 PolarHBondContact O-N 3.12Å; P217-Q220 PolarHBondContact O-N 2.63Å; P217-F221 PolarHBondContact O-N 2.88Å
218	L	84.4	Confident	75.9	Confident	114 Å²	114	113.6 Å²	113.6	60%	0.597	57%	0.566	S	S	*	*	H	α-helix	trans	-63.3	-31.7	178.9	-175.1	64	0	0	0	112.9	H216 F221 L222	H216-L218 PolarHBondContact O-N 3.31Å; L218-F221 HydrophobicContact CD1-CD1 4.41Å; L218-F221 PolarHBondContact O-N 2.83Å; L218-L222 HydrophobicContact CD1-CD1 4.31Å; L218-L222 HydrophobicContact CD1-CG 4.2Å; L218-L222 HydrophobicContact CD2-CD1 4.41Å; L218-L222 HydrophobicContact CG-CD1 3.9Å; L218-L222 HydrophobicContact CG-CG 4.23Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.02Å; L218-L222 PolarHBondContact O-N 3.12Å
219	K	87	Confident	77.5	Confident	129 Å²	129	109.1 Å²	109.1	56%	0.561	54%	0.537	S	S	*	.	H	α-helix	trans	-64.7	-49.1	-179.3	-178.4	-178.9	173	-177.7	0	110.8	H216 P217 F221 L222 E223	H216-K219 HydrophobicContact CB-CB 4.28Å; H216-K219 PolarHBondContact O-N 3.27Å; H216-K219 VanDerWaalsContact O-N 3.16Å; P217-K219 VanDerWaalsContact C-N 3.27Å; P217-K219 PolarHBondContact O-N 3.12Å; K219-F221 VanDerWaalsContact C-N 3.3Å; K219-F221 PolarHBondContact O-N 2.81Å; K219-L222 PolarHBondContact O-N 2.68Å; K219-E223 WeakPolarHBondContact CE-OE1 3.5Å; K219-E223 IonicContact NZ-OE1 2.88Å; K219-E223 WeakPolarHBondContact O-CG 3.23Å; K219-E223 PolarHBondContact O-N 3.36Å; K219-E223 VanDerWaalsContact O-N 3.11Å
220	Q	86.2	Confident	79.3	Confident	68 Å²	68	104.3 Å²	104.3	32%	0.318	51%	0.506	S	S	.	.	H	α-helix	trans	-61	-41.3	178.8	-174.6	178	-3.2	0	0	111.4	P217 N224 L254 A255 D257	P217-Q220 PolarHBondContact O-N 2.63Å; Q220-N224 WeakPolarHBondContact O-CB 3.49Å; Q220-N224 PolarHBondContact O-N 3.34Å; Q220-L254 PolarHBondContact NE2-O 3.17Å; Q220-A255 WeakPolarHBondContact CG-O 3.36Å; Q220-D257 VanDerWaalsContact NE2-CG 3.29Å; Q220-D257 PolarHBondContact NE2-OD1 3.08Å; Q220-D257 PolarHBondContact NE2-OD2 2.83Å
221	F	88.6	Confident	81.2	Confident	77 Å²	77	96.3 Å²	96.3	34%	0.338	48%	0.476	S	S	.	.	H	α-helix	trans	-59.3	-51.9	175.1	177.8	-95.5	0	0	0	111.6	P217 L218 K219 E223 N224 D225 A255	P217-F221 PolarHBondContact O-N 2.88Å; L218-F221 HydrophobicContact CD1-CD1 4.41Å; L218-F221 PolarHBondContact O-N 2.83Å; K219-F221 VanDerWaalsContact C-N 3.3Å; K219-F221 PolarHBondContact O-N 2.81Å; F221-E223 PolarHBondContact O-N 2.85Å; F221-N224 PolarHBondContact O-N 3.16Å; F221-D225 WeakPolarHBondContact O-CA 3.2Å; F221-D225 WeakPolarHBondContact O-CB 3.31Å; F221-D225 PolarHBondContact O-N 3.5Å; F221-A255 HydrophobicContact CD2-CB 3.99Å
222	L	91.9	Very high	83.1	Confident	121 Å²	121	96.9 Å²	96.9	63%	0.634	47%	0.47	S	S	*	.	H	α-helix	trans	-64.3	-35.6	-176.5	-70.5	172.5	0	0	0	113.5	L218 K219	L218-L222 HydrophobicContact CD1-CD1 4.31Å; L218-L222 HydrophobicContact CD1-CG 4.2Å; L218-L222 HydrophobicContact CD2-CD1 4.41Å; L218-L222 HydrophobicContact CG-CD1 3.9Å; L218-L222 HydrophobicContact CG-CG 4.23Å; L218-L222 VanDerWaalsContact O-CG 3.27Å; L218-L222 WeakPolarHBondContact O-CG 3.02Å; L218-L222 PolarHBondContact O-N 3.12Å; K219-L222 PolarHBondContact O-N 2.68Å
223	E	90.8	Very high	85	Confident	107 Å²	107	88.3 Å²	88.3	50%	0.5	44%	0.437	S	S	.	.	H	α-helix	trans	-73.3	-30.1	179.9	-72.2	174.2	-179	0	0	112.8	K219 F221 K227	K219-E223 WeakPolarHBondContact CE-OE1 3.5Å; K219-E223 IonicContact NZ-OE1 2.88Å; K219-E223 WeakPolarHBondContact O-CG 3.23Å; K219-E223 PolarHBondContact O-N 3.36Å; K219-E223 VanDerWaalsContact O-N 3.11Å; F221-E223 PolarHBondContact O-N 2.85Å; E223-K227 PolarHBondContact O-NZ 2.92Å
224	N	90.4	Very high	86.7	Confident	29 Å²	29	81.6 Å²	81.6	16%	0.155	41%	0.406	C	S	.	.	H	α-helix	trans	-119.6	10.9	-169.4	-63.9	-38.4	0	0	0	114.2	Q220 F221 G226 K227 L254	Q220-N224 WeakPolarHBondContact O-CB 3.49Å; Q220-N224 PolarHBondContact O-N 3.34Å; F221-N224 PolarHBondContact O-N 3.16Å; N224-G226 PolarHBondContact O-N 3.23Å; N224-K227 WeakPolarHBondContact O-CB 3.29Å; N224-K227 PolarHBondContact O-N 2.78Å; N224-L254 HydrophobicContact CB-CB 3.72Å; N224-L254 PolarHBondContact ND2-O 3.3Å
225	D	90.5	Very high	88.3	Confident	106 Å²	106	72.3 Å²	72.3	57%	0.567	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.2	136.9	177.5	-167.2	22.8	0	0	0	110.9	F221 K227	F221-D225 WeakPolarHBondContact O-CA 3.2Å; F221-D225 WeakPolarHBondContact O-CB 3.31Å; F221-D225 PolarHBondContact O-N 3.5Å; D225-K227 PolarHBondContact O-N 3.44Å; D225-K227 VanDerWaalsContact O-N 3.11Å
226	G	88.7	Confident	89.7	Confident	70 Å²	70	69.4 Å²	69.4	72%	0.722	36%	0.356	S	S	*	.	T	Hydrogen-bonded Turn	trans	69.3	-5.7	-174.3	0	0	0	0	0	116.6	N224	N224-G226 PolarHBondContact O-N 3.23Å
227	K	93.8	Very high	90.6	Very high	85 Å²	85	64.7 Å²	64.7	37%	0.37	34%	0.336	S	S	.	.			trans	-88.1	118.2	178.4	-59.1	-179.5	-171.5	155	0	111	E223 N224 D225 L254 F356	E223-K227 PolarHBondContact O-NZ 2.92Å; N224-K227 WeakPolarHBondContact O-CB 3.29Å; N224-K227 PolarHBondContact O-N 2.78Å; D225-K227 PolarHBondContact O-N 3.44Å; D225-K227 VanDerWaalsContact O-N 3.11Å; K227-L254 HydrophobicContact CB-CB 4.45Å; K227-L254 HydrophobicContact CB-CD1 3.82Å; K227-L254 PolarHBondContact O-N 2.76Å; K227-F356 HydrophobicContact CB-CE1 4.37Å; K227-F356 HydrophobicContact CB-CZ 3.99Å; K227-F356 HydrophobicContact CD-CZ 4.48Å; K227-F356 HydrophobicContact CG-CZ 4.11Å
228	T	95.5	Very high	91.4	Very high	49 Å²	49	63.8 Å²	63.8	30%	0.301	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	133.6	179.4	57.7	0	0	0	0	110.8	Y252 Y253 F356	T228-Y252 CarbonylContact C-O 3.55Å; T228-Y252 WeakPolarHBondContact CA-O 3.09Å; T228-Y253 HydrophobicContact CG2-CD1 3.38Å; T228-Y253 HydrophobicContact CG2-CE1 3.46Å; T228-Y253 VanDerWaalsContact CG2-CE1 3.46Å; T228-Y253 HydrophobicContact CG2-CG 4.22Å; T228-F356 VanDerWaalsContact O-CD1 3.23Å; T228-F356 WeakPolarHBondContact O-CD1 3.48Å; T228-F356 WeakPolarHBondContact O-CE1 3.5Å
229	L	95.6	Very high	91.5	Very high	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	119.3	173.7	-49.7	172.8	0	0	0	109.1	F231 H251 Y252 L254 D332 F356 T357 Y360 Y361	L229-F231 HydrophobicContact CB-CE2 3.92Å; L229-H251 CarbonylContact O-C 3.47Å; L229-H251 WeakPolarHBondContact O-CA 3.42Å; L229-Y252 HydrophobicContact CD1-CD1 3.95Å; L229-Y252 HydrophobicContact CG-CD1 4.41Å; L229-Y252 PolarHBondContact N-O 3.29Å; L229-Y252 PolarHBondContact O-N 3.28Å; L229-L254 HydrophobicContact CD1-CD2 4.17Å; L229-L254 HydrophobicContact CD1-CG 4.39Å; L229-L254 HydrophobicContact CD2-CD1 4.13Å; L229-L254 HydrophobicContact CG-CD1 4.13Å; L229-L254 HydrophobicContact CG-CG 4.23Å; L229-D332 HydrophobicContact CD1-CB 4.04Å; L229-F356 HydrophobicContact CD2-CD1 4.35Å; L229-F356 HydrophobicContact CD2-CE1 4.03Å; L229-T357 HydrophobicContact CB-CG2 3.64Å; L229-T357 HydrophobicContact CD2-CG2 3.82Å; L229-T357 HydrophobicContact CG-CG2 4.37Å; L229-Y360 HydrophobicContact CD1-CD1 3.99Å; L229-Y360 HydrophobicContact CD1-CE1 3.98Å; L229-Y360 HydrophobicContact CD2-CD1 3.65Å; L229-Y360 HydrophobicContact CD2-CD2 4.39Å; L229-Y360 HydrophobicContact CD2-CE1 4.3Å; L229-Y360 HydrophobicContact CD2-CG 3.7Å; L229-Y360 HydrophobicContact CG-CD1 4.46Å; L229-Y361 HydrophobicContact CD1-CE2 4Å
230	R	96.7	Very high	91.6	Very high	82 Å²	82	64.6 Å²	64.6	31%	0.309	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	123.8	179.1	-179.5	174.2	70.9	164.3	3.3	110.9	Y232 V249 L250 D354 T357	R230-Y232 PolarHBondContact NH2-OH 2.85Å; R230-V249 HydrophobicContact CG-CG1 3.77Å; R230-L250 CarbonylContact C-O 3.5Å; R230-L250 WeakPolarHBondContact CA-O 3.31Å; R230-D354 HydrophobicContact CB-CB 4.01Å; R230-D354 IonicContact CZ-OD1 2.87Å; R230-D354 IonicContact CZ-OD2 2.67Å; R230-D354 IonicContact NE-OD1 2.74Å; R230-D354 IonicContact NE-OD2 2.87Å; R230-D354 PolarHBondContact NE-OD2 2.87Å; R230-D354 IonicContact NH2-OD1 3.5Å; R230-D354 PolarHBondContact NH2-OD1 3.24Å; R230-D354 IonicContact NH2-OD2 2.59Å; R230-D354 PolarHBondContact NH2-OD2 2.94Å; R230-D354 PolarHBondContact O-N 2.79Å; R230-T357 WeakPolarHBondContact O-CG2 3.38Å
231	F	96	Very high	91.6	Very high	3 Å²	3	69.1 Å²	69.1	1%	0.013	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	141.9	174.3	-65.5	-90	0	0	0	111	L229 V249 L250 L335 L350 C353 Y361	L229-F231 HydrophobicContact CB-CE2 3.92Å; F231-V249 CarbonylContact O-C 3.56Å; F231-V249 WeakPolarHBondContact O-CA 3.27Å; F231-L250 HydrophobicContact CB-CB 4.31Å; F231-L250 HydrophobicContact CD2-CD2 4.08Å; F231-L250 PolarHBondContact N-O 2.73Å; F231-L250 PolarHBondContact O-N 2.57Å; F231-L335 HydrophobicContact CD2-CD1 4.49Å; F231-L335 HydrophobicContact CE2-CB 3.93Å; F231-L335 HydrophobicContact CE2-CD1 3.87Å; F231-L335 HydrophobicContact CZ-CB 3.8Å; F231-L350 HydrophobicContact CB-CD2 3.52Å; F231-L350 HydrophobicContact CD1-CD2 3.99Å; F231-L350 HydrophobicContact CG-CD2 3.8Å; F231-C353 HydrophobicContact CD1-CB 3.5Å; F231-C353 VanDerWaalsContact CD1-CB 3.5Å; F231-C353 HydrophobicContact CE1-CB 3.75Å; F231-C353 HydrophobicContact CG-CB 4.32Å; F231-Y361 HydrophobicContact CE1-CE2 4.47Å; F231-Y361 AromaticContact CZ-CE2 3.66Å; F231-Y361 HydrophobicContact CZ-CE2 3.66Å; F231-Y361 AromaticContact CZ-CZ 3.93Å
232	Y	95.4	Very high	91.4	Very high	80 Å²	80	74.7 Å²	74.7	31%	0.314	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	133.3	167	-59.1	-74.8	0	0	0	108.3	R230 V249 T351 D352	R230-Y232 PolarHBondContact NH2-OH 2.85Å; Y232-V249 HydrophobicContact CD1-CG2 4.01Å; Y232-V249 HydrophobicContact CE1-CG2 4.22Å; Y232-T351 PolarHBondContact O-N 3.3Å; Y232-T351 PolarHBondContact O-OG1 3.04Å; Y232-T351 VanDerWaalsContact O-OG1 3.04Å; Y232-D352 HydrophobicContact CD2-CB 3.97Å; Y232-D352 PolarHBondContact N-O 3.37Å; Y232-D352 PolarHBondContact O-N 2.84Å
233	C	94.7	Very high	91	Very high	3 Å²	3	69.9 Å²	69.9	2%	0.02	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	155	-173.5	-37.4	0	0	0	0	111	L248 L250 V348 L349 L350	C233-L248 HydrophobicContact CB-CB 4.17Å; C233-L248 PolarHBondContact N-O 3.01Å; C233-L248 PolarHBondContact O-N 3.37Å; C233-L250 VanDerWaalsContact SG-CB 3.5Å; C233-V348 HydrophobicContact CB-CG1 3.4Å; C233-V348 VanDerWaalsContact CB-CG1 3.4Å; C233-L349 CarbonylContact C-O 3.51Å; C233-L349 WeakPolarHBondContact CA-O 3.44Å; C233-L349 WeakPolarHBondContact CB-O 3.28Å; C233-L350 VanDerWaalsContact SG-CD2 3.57Å
234	L	93.6	Very high	90.8	Very high	11 Å²	11	67.3 Å²	67.3	6%	0.058	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	126.7	172.4	-173.4	73.8	0	0	0	108.5	Q245 R246 E247 L349 T351 H375	L234-Q245 HydrophobicContact CD1-CB 4.22Å; L234-R246 WeakPolarHBondContact CA-O 3.47Å; L234-E247 HydrophobicContact CD1-CG 4.48Å; L234-L349 PolarHBondContact N-O 2.85Å; L234-L349 PolarHBondContact O-N 3.02Å; L234-T351 HydrophobicContact CB-CG2 3.84Å; L234-H375 HydrophobicContact CD2-CB 3.69Å
235	W	92.9	Very high	90.7	Very high	21 Å²	21	70.7 Å²	70.7	8%	0.08	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.9	165	177	33.8	0	0	0	108.3	D237 Q245 R246 L248 F277 R346 V348	W235-D237 HydrophobicContact CH2-CB 4.23Å; W235-D237 HydrophobicContact CZ2-CB 3.76Å; W235-Q245 WeakPolarHBondContact O-CA 3.22Å; W235-R246 HydrophobicContact CE3-CB 4.29Å; W235-R246 HydrophobicContact CE3-CG 4.2Å; W235-R246 PolarHBondContact N-O 3.42Å; W235-R246 PolarHBondContact O-N 3.42Å; W235-L248 HydrophobicContact CB-CD1 3.73Å; W235-L248 HydrophobicContact CB-CG 4.37Å; W235-F277 HydrophobicContact CD2-CZ 4.43Å; W235-F277 AromaticContact CE3-CE2 3.95Å; W235-F277 HydrophobicContact CE3-CE2 3.95Å; W235-F277 AromaticContact CE3-CZ 3.77Å; W235-F277 HydrophobicContact CE3-CZ 3.77Å; W235-F277 AromaticContact CZ3-CE2 3.86Å; W235-F277 HydrophobicContact CZ3-CE2 3.86Å; W235-F277 AromaticContact CZ3-CZ 3.87Å; W235-F277 HydrophobicContact CZ3-CZ 3.87Å; W235-R346 HydrophobicContact CZ2-CG 4.1Å; W235-V348 HydrophobicContact CB-CG2 4.26Å; W235-V348 HydrophobicContact CG-CG2 4.46Å
236	D	90.8	Very high	90.7	Very high	71 Å²	71	68.1 Å²	68.1	38%	0.38	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	112	175.2	-160.5	-18.7	0	0	0	109.2	T238 Q245	D236-T238 VanDerWaalsContact OD1-CB 3.24Å; D236-T238 WeakPolarHBondContact OD1-CB 3.46Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.49Å; D236-T238 PolarHBondContact OD1-N 2.88Å; D236-T238 PolarHBondContact OD1-OG1 2.85Å; D236-Q245 HydrophobicContact CB-CG 4.41Å; D236-Q245 WeakPolarHBondContact OD1-CG 3.48Å; D236-Q245 PolarHBondContact OD2-NE2 3.27Å
237	D	89.3	Confident	90.8	Very high	39 Å²	39	68.5 Å²	68.5	21%	0.209	34%	0.339	C	S	.	.			trans	-108.2	12	174.3	-160.2	29.5	0	0	0	111.5	W235 D239 N240 G243 D244	W235-D237 HydrophobicContact CH2-CB 4.23Å; W235-D237 HydrophobicContact CZ2-CB 3.76Å; D237-D239 PolarHBondContact O-N 2.84Å; D237-N240 WeakPolarHBondContact O-CB 3.35Å; D237-N240 PolarHBondContact O-N 2.8Å; D237-G243 VanDerWaalsContact O-CA 3.25Å; D237-G243 WeakPolarHBondContact O-CA 3.47Å; D237-D244 PolarHBondContact N-O 2.81Å
238	T	87	Confident	90.9	Very high	75 Å²	75	64.6 Å²	64.6	46%	0.46	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-19.1	-173	53.2	0	0	0	0	114.9	D236 N240 Q245	D236-T238 VanDerWaalsContact OD1-CB 3.24Å; D236-T238 WeakPolarHBondContact OD1-CB 3.46Å; D236-T238 WeakPolarHBondContact OD1-CG2 3.49Å; D236-T238 PolarHBondContact OD1-N 2.88Å; D236-T238 PolarHBondContact OD1-OG1 2.85Å; T238-N240 PolarHBondContact O-N 2.93Å; T238-Q245 HydrophobicContact CG2-CG 3.87Å
239	D	86.4	Confident	90.9	Very high	169 Å²	169	63 Å²	63	90%	0.904	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.3	-23	172.6	-69.2	-26.8	0	0	0	112.6	D237	D237-D239 PolarHBondContact O-N 2.84Å
240	N	89.4	Confident	90.9	Very high	91 Å²	91	63 Å²	63	49%	0.487	31%	0.312	S	S	.	.	S	Bend	trans	-88.4	148.2	-179.7	-158.2	3.4	0	0	0	111.5	D237 T238 F242 G243	D237-N240 WeakPolarHBondContact O-CB 3.35Å; D237-N240 PolarHBondContact O-N 2.8Å; T238-N240 PolarHBondContact O-N 2.93Å; N240-F242 PolarHBondContact O-N 3.41Å; N240-G243 PolarHBondContact O-N 3.3Å
241	L	85.9	Confident	90.9	Very high	162 Å²	162	60.8 Å²	60.8	85%	0.848	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.8	-30.3	-172.7	-79.2	159.1	0	0	0	115
242	F	84.6	Confident	90.9	Very high	195 Å²	195	60.6 Å²	60.6	86%	0.855	31%	0.305	S	S	*	.	T	Hydrogen-bonded Turn	trans	-123.5	16.9	178.7	-57.9	-74.5	0	0	0	111.9	N240	N240-F242 PolarHBondContact O-N 3.41Å
243	G	82.4	Confident	90.9	Very high	20 Å²	20	59 Å²	59	21%	0.206	30%	0.298	C	S	.	.			trans	-79	150.6	-175.1	0	0	0	0	0	112.2	D237 N240	D237-G243 VanDerWaalsContact O-CA 3.25Å; D237-G243 WeakPolarHBondContact O-CA 3.47Å; N240-G243 PolarHBondContact O-N 3.3Å
244	D	86.8	Confident	90.9	Very high	53 Å²	53	59 Å²	59	28%	0.283	30%	0.298	S	S	.	.			trans	-137.8	158.9	-178.1	47.4	19.2	0	0	0	110.7	D237 R246 R271	D237-D244 PolarHBondContact N-O 2.81Å; D244-R246 IonicContact OD1-CZ 3.25Å; D244-R246 IonicContact OD1-NE 2.88Å; D244-R246 PolarHBondContact OD1-NE 2.99Å; D244-R246 IonicContact OD1-NH2 2.65Å; D244-R246 PolarHBondContact OD1-NH2 3.32Å; D244-R271 IonicContact OD1-CZ 2.63Å; D244-R271 IonicContact OD1-NH2 3.16Å; D244-R271 PolarHBondContact OD1-NH2 3.03Å; D244-R271 IonicContact OD2-CZ 2.73Å; D244-R271 IonicContact OD2-NE 2.87Å; D244-R271 IonicContact OD2-NH2 3.17Å; D244-R271 PolarHBondContact OD2-NH2 3.45Å
245	Q	89.2	Confident	90.8	Very high	99 Å²	99	58.9 Å²	58.9	46%	0.463	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	129.1	173.4	-71.3	-176.1	-19.9	0	0	109.7	L234 W235 D236 T238	L234-Q245 HydrophobicContact CD1-CB 4.22Å; W235-Q245 WeakPolarHBondContact O-CA 3.22Å; D236-Q245 HydrophobicContact CB-CG 4.41Å; D236-Q245 WeakPolarHBondContact OD1-CG 3.48Å; D236-Q245 PolarHBondContact OD2-NE2 3.27Å; T238-Q245 HydrophobicContact CG2-CG 3.87Å
246	R	89.7	Confident	90.7	Very high	53 Å²	53	60.8 Å²	60.8	20%	0.2	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.2	131.6	-177.8	-54	-165.3	-173.8	176.9	6.9	111.6	L234 W235 D244	L234-R246 WeakPolarHBondContact CA-O 3.47Å; W235-R246 HydrophobicContact CE3-CB 4.29Å; W235-R246 HydrophobicContact CE3-CG 4.2Å; W235-R246 PolarHBondContact N-O 3.42Å; W235-R246 PolarHBondContact O-N 3.42Å; D244-R246 IonicContact OD1-CZ 3.25Å; D244-R246 IonicContact OD1-NE 2.88Å; D244-R246 PolarHBondContact OD1-NE 2.99Å; D244-R246 IonicContact OD1-NH2 2.65Å; D244-R246 PolarHBondContact OD1-NH2 3.32Å
247	E	91.9	Very high	90.7	Very high	78 Å²	78	59.3 Å²	59.3	36%	0.364	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	125.1	174	-69.5	172.5	-148.7	0	0	109.4	L234 V264 K376	L234-E247 HydrophobicContact CD1-CG 4.48Å; E247-V264 HydrophobicContact CB-CB 4.12Å; E247-V264 PolarHBondContact O-N 3.25Å; E247-K376 WeakPolarHBondContact OE1-CE 2.93Å; E247-K376 IonicContact OE1-NZ 3.92Å; E247-K376 PolarHBondContact OE1-NZ 3.37Å; E247-K376 IonicContact OE2-NZ 3.91Å
248	L	94	Very high	90.9	Very high	2 Å²	2	58.2 Å²	58.2	1%	0.01	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	152.3	-179.6	-55	177.7	0	0	0	109.7	C233 W235 V261 I262 E263 F277 V348	C233-L248 HydrophobicContact CB-CB 4.17Å; C233-L248 PolarHBondContact N-O 3.01Å; C233-L248 PolarHBondContact O-N 3.37Å; W235-L248 HydrophobicContact CB-CD1 3.73Å; W235-L248 HydrophobicContact CB-CG 4.37Å; L248-V261 HydrophobicContact CB-CG1 3.98Å; L248-V261 HydrophobicContact CD1-CG1 4.04Å; L248-V261 HydrophobicContact CG-CG1 4.43Å; L248-I262 CarbonylContact C-O 3.49Å; L248-I262 VanDerWaalsContact CA-O 3.29Å; L248-I262 WeakPolarHBondContact CA-O 3.44Å; L248-E263 HydrophobicContact CD2-CB 3.85Å; L248-E263 HydrophobicContact CD2-CG 3.95Å; L248-F277 HydrophobicContact CD1-CD1 4.27Å; L248-F277 HydrophobicContact CD1-CE1 4.24Å; L248-F277 HydrophobicContact CD2-CB 4.37Å; L248-F277 HydrophobicContact CD2-CD2 4.15Å; L248-F277 HydrophobicContact CD2-CG 4.1Å; L248-V348 HydrophobicContact CD1-CG1 4.13Å; L248-V348 HydrophobicContact CD1-CG2 4.09Å
249	V	95.7	Very high	91.3	Very high	15 Å²	15	54.7 Å²	54.7	9%	0.091	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.4	122.8	170.5	176.6	0	0	0	0	108	R230 F231 Y232 V261 I262 V264	R230-V249 HydrophobicContact CG-CG1 3.77Å; F231-V249 CarbonylContact O-C 3.56Å; F231-V249 WeakPolarHBondContact O-CA 3.27Å; Y232-V249 HydrophobicContact CD1-CG2 4.01Å; Y232-V249 HydrophobicContact CE1-CG2 4.22Å; V249-V261 CarbonylContact O-C 3.44Å; V249-V261 WeakPolarHBondContact O-CA 3.08Å; V249-I262 HydrophobicContact CB-CB 4.47Å; V249-I262 PolarHBondContact N-O 3.18Å; V249-I262 PolarHBondContact O-N 2.96Å; V249-V264 HydrophobicContact CG2-CG2 3.6Å
250	L	96.4	Very high	91.7	Very high	1 Å²	1	47.4 Å²	47.4	1%	0.005	24%	0.236	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	125.4	178.2	-175.2	157.9	0	0	0	109.3	R230 F231 C233 I259 V261 L335 I341	R230-L250 CarbonylContact C-O 3.5Å; R230-L250 WeakPolarHBondContact CA-O 3.31Å; F231-L250 HydrophobicContact CB-CB 4.31Å; F231-L250 HydrophobicContact CD2-CD2 4.08Å; F231-L250 PolarHBondContact N-O 2.73Å; F231-L250 PolarHBondContact O-N 2.57Å; C233-L250 VanDerWaalsContact SG-CB 3.5Å; L250-I259 HydrophobicContact CD1-CG2 3.97Å; L250-I259 HydrophobicContact CD2-CG2 3.9Å; L250-I259 HydrophobicContact CG-CG2 3.67Å; L250-V261 HydrophobicContact CD1-CG2 4.47Å; L250-V261 HydrophobicContact CG-CG2 4.33Å; L250-L335 HydrophobicContact CD2-CD1 4.46Å; L250-I341 HydrophobicContact CD1-CD1 3.65Å
251	H	96.4	Very high	92.1	Very high	35 Å²	35	43.1 Å²	43.1	16%	0.162	21%	0.213	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	120.6	172.1	-66	-59	0	0	0	110	L229 Y253 I259 E260	L229-H251 CarbonylContact O-C 3.47Å; L229-H251 WeakPolarHBondContact O-CA 3.42Å; H251-Y253 HydrophobicContact CB-CE2 3.97Å; H251-I259 CarbonylContact O-C 3.6Å; H251-I259 VanDerWaalsContact O-CA 3.29Å; H251-I259 WeakPolarHBondContact O-CA 3.16Å; H251-E260 HydrophobicContact CB-CB 4.41Å; H251-E260 PolarHBondContact N-O 3.02Å; H251-E260 PolarHBondContact O-N 2.86Å
252	Y	96.4	Very high	92.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.185	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	118.7	171.5	-178.7	-81.4	0	0	0	109.6	T228 L229 L254 D257 T258 I259 D332 L335	T228-Y252 CarbonylContact C-O 3.55Å; T228-Y252 WeakPolarHBondContact CA-O 3.09Å; L229-Y252 HydrophobicContact CD1-CD1 3.95Å; L229-Y252 HydrophobicContact CG-CD1 4.41Å; L229-Y252 PolarHBondContact N-O 3.29Å; L229-Y252 PolarHBondContact O-N 3.28Å; Y252-L254 HydrophobicContact CD1-CD2 4.21Å; Y252-L254 HydrophobicContact CD1-CG 4.36Å; Y252-L254 HydrophobicContact CE1-CD2 3.87Å; Y252-L254 HydrophobicContact CE1-CG 4.39Å; Y252-D257 WeakPolarHBondContact OH-CB 3.27Å; Y252-D257 VanDerWaalsContact OH-CG 3.24Å; Y252-D257 PolarHBondContact OH-OD1 2.76Å; Y252-T258 WeakPolarHBondContact CA-O 3.48Å; Y252-I259 HydrophobicContact CD2-CD1 3.93Å; Y252-I259 HydrophobicContact CD2-CG1 3.62Å; Y252-I259 HydrophobicContact CE2-CD1 4.45Å; Y252-I259 HydrophobicContact CE2-CG1 4.28Å; Y252-D332 HydrophobicContact CD1-CB 4.38Å; Y252-D332 HydrophobicContact CE1-CB 3.86Å; Y252-D332 PolarHBondContact OH-N 3.32Å; Y252-L335 HydrophobicContact CD2-CD1 3.54Å; Y252-L335 HydrophobicContact CE2-CD1 4.27Å; Y252-L335 HydrophobicContact CG-CD1 3.83Å
253	Y	95.8	Very high	92.8	Very high	46 Å²	46	29.7 Å²	29.7	18%	0.18	15%	0.15	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.9	112.6	-178.7	-65.9	-92.2	0	0	0	110.2	T228 H251 A255 D256 D257 T258 E260 R280	T228-Y253 HydrophobicContact CG2-CD1 3.38Å; T228-Y253 HydrophobicContact CG2-CE1 3.46Å; T228-Y253 VanDerWaalsContact CG2-CE1 3.46Å; T228-Y253 HydrophobicContact CG2-CG 4.22Å; H251-Y253 HydrophobicContact CB-CE2 3.97Å; Y253-A255 PolarHBondContact O-N 3.29Å; Y253-D256 PolarHBondContact O-N 3.23Å; Y253-D257 WeakPolarHBondContact O-CA 3.08Å; Y253-D257 PolarHBondContact O-N 2.88Å; Y253-T258 PolarHBondContact N-O 3.26Å; Y253-T258 PolarHBondContact O-N 3.1Å; Y253-E260 HydrophobicContact CE2-CB 3.95Å; Y253-E260 PolarHBondContact OH-OE2 2.55Å; Y253-E260 VanDerWaalsContact OH-OE2 3.1Å; Y253-R280 HydrophobicContact CD2-CG 4.2Å; Y253-R280 HydrophobicContact CE2-CG 4.22Å
254	L	93.8	Very high	93.3	Very high	3 Å²	3	31.7 Å²	31.7	2%	0.016	16%	0.158	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-20.8	-178.1	-73.8	165.5	0	0	0	113.7	Q220 N224 K227 L229 Y252 Y360	Q220-L254 PolarHBondContact NE2-O 3.17Å; N224-L254 HydrophobicContact CB-CB 3.72Å; N224-L254 PolarHBondContact ND2-O 3.3Å; K227-L254 HydrophobicContact CB-CB 4.45Å; K227-L254 HydrophobicContact CB-CD1 3.82Å; K227-L254 PolarHBondContact O-N 2.76Å; L229-L254 HydrophobicContact CD1-CD2 4.17Å; L229-L254 HydrophobicContact CD1-CG 4.39Å; L229-L254 HydrophobicContact CD2-CD1 4.13Å; L229-L254 HydrophobicContact CG-CD1 4.13Å; L229-L254 HydrophobicContact CG-CG 4.23Å; Y252-L254 HydrophobicContact CD1-CD2 4.21Å; Y252-L254 HydrophobicContact CD1-CG 4.36Å; Y252-L254 HydrophobicContact CE1-CD2 3.87Å; Y252-L254 HydrophobicContact CE1-CG 4.39Å; L254-Y360 HydrophobicContact CD1-CD2 4.1Å; L254-Y360 HydrophobicContact CD1-CE2 3.65Å; L254-Y360 HydrophobicContact CD2-CE1 4.23Å; L254-Y360 HydrophobicContact CD2-CE2 4.25Å; L254-Y360 VanDerWaalsContact CD2-OH 3.3Å; L254-Y360 WeakPolarHBondContact CD2-OH 3.49Å
255	A	92.4	Very high	93.4	Very high	8 Å²	8	31 Å²	31	7%	0.066	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.4	-37.7	178.2	0	0	0	0	0	112.8	Q220 F221 Y253	Q220-A255 WeakPolarHBondContact CG-O 3.36Å; F221-A255 HydrophobicContact CD2-CB 3.99Å; Y253-A255 PolarHBondContact O-N 3.29Å
256	D	89.7	Confident	93.3	Very high	62 Å²	62	29.7 Å²	29.7	33%	0.332	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-131.6	2.1	-171.5	-53.1	-43.2	0	0	0	114.2	Y253 T258 R280 K282	Y253-D256 PolarHBondContact O-N 3.23Å; D256-T258 VanDerWaalsContact C-N 3.31Å; D256-T258 HydrophobicContact CB-CG2 3.99Å; D256-T258 PolarHBondContact O-N 2.68Å; D256-R280 IonicContact OD2-CZ 2.97Å; D256-R280 IonicContact OD2-NH2 3.64Å; D256-R280 PolarHBondContact OD2-NH2 2.83Å; D256-K282 WeakPolarHBondContact O-CE 2.87Å
257	D	91.8	Very high	93.3	Very high	39 Å²	39	32.8 Å²	32.8	21%	0.209	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.6	45.2	-172.5	-58.4	-42.1	0	0	0	112.9	Q220 Y252 Y253	Q220-D257 VanDerWaalsContact NE2-CG 3.29Å; Q220-D257 PolarHBondContact NE2-OD1 3.08Å; Q220-D257 PolarHBondContact NE2-OD2 2.83Å; Y252-D257 WeakPolarHBondContact OH-CB 3.27Å; Y252-D257 VanDerWaalsContact OH-CG 3.24Å; Y252-D257 PolarHBondContact OH-OD1 2.76Å; Y253-D257 WeakPolarHBondContact O-CA 3.08Å; Y253-D257 PolarHBondContact O-N 2.88Å
258	T	94.1	Very high	93.1	Very high	16 Å²	16	37.3 Å²	37.3	10%	0.098	21%	0.208	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.3	149.4	179.9	52.8	0	0	0	0	111.2	Y252 Y253 D256 R280 K282	Y252-T258 WeakPolarHBondContact CA-O 3.48Å; Y253-T258 PolarHBondContact N-O 3.26Å; Y253-T258 PolarHBondContact O-N 3.1Å; D256-T258 VanDerWaalsContact C-N 3.31Å; D256-T258 HydrophobicContact CB-CG2 3.99Å; D256-T258 PolarHBondContact O-N 2.68Å; T258-R280 PolarHBondContact OG1-NE 2.62Å; T258-K282 HydrophobicContact CG2-CG 3.83Å
259	I	95.1	Very high	92.6	Very high	1 Å²	1	39.2 Å²	39.2	1%	0.005	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	134.1	-179.1	-61.1	-176.9	0	0	0	109.7	L250 H251 Y252 V261 R280 C281 L283	L250-I259 HydrophobicContact CD1-CG2 3.97Å; L250-I259 HydrophobicContact CD2-CG2 3.9Å; L250-I259 HydrophobicContact CG-CG2 3.67Å; H251-I259 CarbonylContact O-C 3.6Å; H251-I259 VanDerWaalsContact O-CA 3.29Å; H251-I259 WeakPolarHBondContact O-CA 3.16Å; Y252-I259 HydrophobicContact CD2-CD1 3.93Å; Y252-I259 HydrophobicContact CD2-CG1 3.62Å; Y252-I259 HydrophobicContact CE2-CD1 4.45Å; Y252-I259 HydrophobicContact CE2-CG1 4.28Å; I259-V261 HydrophobicContact CG2-CG2 4.08Å; I259-R280 WeakPolarHBondContact O-CA 3.26Å; I259-C281 PolarHBondContact N-O 3.06Å; I259-C281 PolarHBondContact O-N 2.73Å; I259-L283 HydrophobicContact CB-CB 4.29Å; I259-L283 HydrophobicContact CD1-CB 3.88Å; I259-L283 HydrophobicContact CD1-CD2 4.02Å; I259-L283 HydrophobicContact CG1-CB 4.38Å
260	E	95.2	Very high	92.1	Very high	16 Å²	16	42.5 Å²	42.5	8%	0.075	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	139.1	168.1	-175.2	166.9	-152.1	0	0	108.6	H251 Y253 I262 K276 R280	H251-E260 HydrophobicContact CB-CB 4.41Å; H251-E260 PolarHBondContact N-O 3.02Å; H251-E260 PolarHBondContact O-N 2.86Å; Y253-E260 HydrophobicContact CE2-CB 3.95Å; Y253-E260 PolarHBondContact OH-OE2 2.55Å; Y253-E260 VanDerWaalsContact OH-OE2 3.1Å; E260-I262 HydrophobicContact CG-CG1 4.44Å; E260-K276 WeakPolarHBondContact OE1-CD 3.24Å; E260-K276 WeakPolarHBondContact OE1-CE 3.34Å; E260-K276 IonicContact OE1-NZ 3.1Å; E260-K276 PolarHBondContact OE1-NZ 2.91Å; E260-R280 HydrophobicContact CB-CB 4.13Å
261	V	95.9	Very high	91.5	Very high	1 Å²	1	45.8 Å²	45.8	1%	0.006	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	128.4	179.3	-172.9	0	0	0	0	108.7	L248 V249 L250 I259 F277 L278	L248-V261 HydrophobicContact CB-CG1 3.98Å; L248-V261 HydrophobicContact CD1-CG1 4.04Å; L248-V261 HydrophobicContact CG-CG1 4.43Å; V249-V261 CarbonylContact O-C 3.44Å; V249-V261 WeakPolarHBondContact O-CA 3.08Å; L250-V261 HydrophobicContact CD1-CG2 4.47Å; L250-V261 HydrophobicContact CG-CG2 4.33Å; I259-V261 HydrophobicContact CG2-CG2 4.08Å; V261-F277 HydrophobicContact CB-CB 4.36Å; V261-F277 HydrophobicContact CB-CD1 4.35Å; V261-F277 HydrophobicContact CG1-CB 4.13Å; V261-F277 HydrophobicContact CG1-CD1 3.97Å; V261-F277 HydrophobicContact CG1-CG 4.42Å; V261-F277 WeakPolarHBondContact O-CA 3.49Å; V261-F277 WeakPolarHBondContact O-CB 3.3Å; V261-F277 PolarHBondContact O-N 3.19Å; V261-L278 HydrophobicContact CB-CB 3.78Å; V261-L278 HydrophobicContact CG2-CB 3.99Å; V261-L278 HydrophobicContact CG2-CD2 4.1Å; V261-L278 PolarHBondContact N-O 3.47Å; V261-L278 PolarHBondContact O-N 3.18Å
262	I	94.3	Very high	90.9	Very high	50 Å²	50	49.9 Å²	49.9	26%	0.256	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	134.9	-175.7	-61.7	-179.6	0	0	0	108	L248 V249 E260 P275	L248-I262 CarbonylContact C-O 3.49Å; L248-I262 VanDerWaalsContact CA-O 3.29Å; L248-I262 WeakPolarHBondContact CA-O 3.44Å; V249-I262 HydrophobicContact CB-CB 4.47Å; V249-I262 PolarHBondContact N-O 3.18Å; V249-I262 PolarHBondContact O-N 2.96Å; E260-I262 HydrophobicContact CG-CG1 4.44Å; I262-P275 VanDerWaalsContact CA-O 3.31Å; I262-P275 WeakPolarHBondContact CA-O 3.49Å; I262-P275 WeakPolarHBondContact CG2-O 3.33Å
263	E	92.6	Very high	90.2	Very high	25 Å²	25	57 Å²	57	12%	0.117	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	132.1	175.2	-174.5	174.7	169.2	0	0	110.3	L248 I265 R271 P275 F277	L248-E263 HydrophobicContact CD2-CB 3.85Å; L248-E263 HydrophobicContact CD2-CG 3.95Å; E263-I265 HydrophobicContact CG-CG1 4.03Å; E263-R271 IonicContact OE1-CZ 3.55Å; E263-R271 IonicContact OE1-NE 2.93Å; E263-R271 IonicContact OE1-NH1 2.94Å; E263-R271 PolarHBondContact OE1-NH1 3.47Å; E263-P275 PolarHBondContact N-O 3.45Å; E263-P275 VanDerWaalsContact N-O 3.08Å; E263-F277 HydrophobicContact CB-CB 4.35Å
264	V	91.9	Very high	89.4	Confident	63 Å²	63	58.8 Å²	58.8	38%	0.382	35%	0.346	S	S	.	.			trans	-91	104.2	174.2	-177	0	0	0	0	108.2	E247 V249 P266	E247-V264 HydrophobicContact CB-CB 4.12Å; E247-V264 PolarHBondContact O-N 3.25Å; V249-V264 HydrophobicContact CG2-CG2 3.6Å; V264-P266 WeakPolarHBondContact O-CD 3.38Å
265	I	89.6	Confident	88.5	Confident	37 Å²	37	61.9 Å²	61.9	19%	0.19	37%	0.366	C	S	.	.			trans	-95.9	114.4	-177.7	-56.5	170.7	0	0	0	108.9	E263 R271 V272	E263-I265 HydrophobicContact CG-CG1 4.03Å; I265-R271 HydrophobicContact CG2-CB 4.43Å; I265-V272 WeakPolarHBondContact CD1-O 3.5Å
266	P	87.4	Confident	88.4	Confident	72 Å²	72	67.1 Å²	67.1	47%	0.468	39%	0.388	S	S	.	.			trans	-69.9	155.4	176.7	26.5	-30.2	0	0	0	111.5	V264 N268 S269	V264-P266 WeakPolarHBondContact O-CD 3.38Å; P266-N268 PolarHBondContact O-N 3.11Å; P266-S269 VanDerWaalsContact O-CB 3.27Å; P266-S269 WeakPolarHBondContact O-CB 3.5Å; P266-S269 PolarHBondContact O-N 3.33Å
267	P	88.1	Confident	88.5	Confident	119 Å²	119	66.5 Å²	66.5	77%	0.773	38%	0.382	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	140.4	176	26.5	-34.2	0	0	0	110.3	S269	P267-S269 VanDerWaalsContact C-N 3.29Å; P267-S269 PolarHBondContact O-N 3.41Å
268	N	88.1	Confident	88.5	Confident	173 Å²	173	65.9 Å²	65.9	93%	0.925	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.3	24.5	-176.9	-50.6	-39.1	0	0	0	115.4	P266 G270	P266-N268 PolarHBondContact O-N 3.11Å; N268-G270 VanDerWaalsContact C-N 3.26Å; N268-G270 PolarHBondContact O-N 3.45Å
269	S	84.9	Confident	88.5	Confident	42 Å²	42	74.9 Å²	74.9	29%	0.294	41%	0.411	S	S	.	.			trans	-69.5	-15	176.7	-174.9	0	0	0	0	115	P266 P267 R271	P266-S269 VanDerWaalsContact O-CB 3.27Å; P266-S269 WeakPolarHBondContact O-CB 3.5Å; P266-S269 PolarHBondContact O-N 3.33Å; P267-S269 VanDerWaalsContact C-N 3.29Å; P267-S269 PolarHBondContact O-N 3.41Å; S269-R271 PolarHBondContact O-N 2.97Å
270	G	85.2	Confident	88.4	Confident	84 Å²	84	79.6 Å²	79.6	87%	0.866	43%	0.429	S	S	*	.			trans	72.9	-1.2	-174.6	0	0	0	0	0	115.4	N268	N268-G270 VanDerWaalsContact C-N 3.26Å; N268-G270 PolarHBondContact O-N 3.45Å
271	R	83.2	Confident	88.2	Confident	70 Å²	70	80.8 Å²	80.8	26%	0.264	44%	0.438	S	S	.	.	S	Bend	trans	-86.7	150.3	174.2	-61.4	-168	-164.4	127	12.8	111.7	D244 E263 I265 S269	D244-R271 IonicContact OD1-CZ 2.63Å; D244-R271 IonicContact OD1-NH2 3.16Å; D244-R271 PolarHBondContact OD1-NH2 3.03Å; D244-R271 IonicContact OD2-CZ 2.73Å; D244-R271 IonicContact OD2-NE 2.87Å; D244-R271 IonicContact OD2-NH2 3.17Å; D244-R271 PolarHBondContact OD2-NH2 3.45Å; E263-R271 IonicContact OE1-CZ 3.55Å; E263-R271 IonicContact OE1-NE 2.93Å; E263-R271 IonicContact OE1-NH1 2.94Å; E263-R271 PolarHBondContact OE1-NH1 3.47Å; I265-R271 HydrophobicContact CG2-CB 4.43Å; S269-R271 PolarHBondContact O-N 2.97Å
272	V	83.9	Confident	87.9	Confident	121 Å²	121	85.6 Å²	85.6	73%	0.733	46%	0.459	S	S	*	.			trans	-67.5	135.3	172.2	-177.5	0	0	0	0	108.9	I265 V274	I265-V272 WeakPolarHBondContact CD1-O 3.5Å; V272-V274 HydrophobicContact CG1-CG2 4.01Å; V272-V274 PolarHBondContact O-N 3.46Å
273	H	81.3	Confident	87.7	Confident	149 Å²	149	83.3 Å²	83.3	69%	0.69	45%	0.447	S	S	*	.			trans	-74.5	75.6	-179.5	-168.8	-76.8	0	0	0	111.5
274	V	79.7	Confident	87.6	Confident	84 Å²	84	82.5 Å²	82.5	51%	0.509	44%	0.444	S	S	.	.			trans	-102.8	105	168.8	-175.3	0	0	0	0	107.5	V272 K276	V272-V274 HydrophobicContact CG1-CG2 4.01Å; V272-V274 PolarHBondContact O-N 3.46Å; V274-K276 VanDerWaalsContact C-N 3.32Å; V274-K276 PolarHBondContact O-N 2.7Å
275	P	75.3	Confident	87.4	Confident	67 Å²	67	82.1 Å²	82.1	44%	0.435	44%	0.438	S	S	.	.			trans	-68.8	-30.7	-170.6	24.7	-33	0	0	0	112.9	I262 E263	I262-P275 VanDerWaalsContact CA-O 3.31Å; I262-P275 WeakPolarHBondContact CA-O 3.49Å; I262-P275 WeakPolarHBondContact CG2-O 3.33Å; E263-P275 PolarHBondContact N-O 3.45Å; E263-P275 VanDerWaalsContact N-O 3.08Å
276	K	89.1	Confident	86.9	Confident	118 Å²	118	86 Å²	86	51%	0.513	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.4	116.8	-175.1	-60.4	-171.9	-176.4	-140.4	0	110.8	E260 V274	E260-K276 WeakPolarHBondContact OE1-CD 3.24Å; E260-K276 WeakPolarHBondContact OE1-CE 3.34Å; E260-K276 IonicContact OE1-NZ 3.1Å; E260-K276 PolarHBondContact OE1-NZ 2.91Å; V274-K276 VanDerWaalsContact C-N 3.32Å; V274-K276 PolarHBondContact O-N 2.7Å
277	F	91.8	Very high	86	Confident	50 Å²	50	83.7 Å²	83.7	22%	0.219	45%	0.446	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	-41.8	170.8	-171.7	-99.1	0	0	0	111.2	W235 L248 V261 E263	W235-F277 HydrophobicContact CD2-CZ 4.43Å; W235-F277 AromaticContact CE3-CE2 3.95Å; W235-F277 HydrophobicContact CE3-CE2 3.95Å; W235-F277 AromaticContact CE3-CZ 3.77Å; W235-F277 HydrophobicContact CE3-CZ 3.77Å; W235-F277 AromaticContact CZ3-CE2 3.86Å; W235-F277 HydrophobicContact CZ3-CE2 3.86Å; W235-F277 AromaticContact CZ3-CZ 3.87Å; W235-F277 HydrophobicContact CZ3-CZ 3.87Å; L248-F277 HydrophobicContact CD1-CD1 4.27Å; L248-F277 HydrophobicContact CD1-CE1 4.24Å; L248-F277 HydrophobicContact CD2-CB 4.37Å; L248-F277 HydrophobicContact CD2-CD2 4.15Å; L248-F277 HydrophobicContact CD2-CG 4.1Å; V261-F277 HydrophobicContact CB-CB 4.36Å; V261-F277 HydrophobicContact CB-CD1 4.35Å; V261-F277 HydrophobicContact CG1-CB 4.13Å; V261-F277 HydrophobicContact CG1-CD1 3.97Å; V261-F277 HydrophobicContact CG1-CG 4.42Å; V261-F277 WeakPolarHBondContact O-CA 3.49Å; V261-F277 WeakPolarHBondContact O-CB 3.3Å; V261-F277 PolarHBondContact O-N 3.19Å; E263-F277 HydrophobicContact CB-CB 4.35Å
278	L	92.8	Very high	84.6	Confident	25 Å²	25	84 Å²	84	13%	0.131	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	129.6	172.9	-178.4	69.8	0	0	0	109.8	V261 L283 V343 F344	V261-L278 HydrophobicContact CB-CB 3.78Å; V261-L278 HydrophobicContact CG2-CB 3.99Å; V261-L278 HydrophobicContact CG2-CD2 4.1Å; V261-L278 PolarHBondContact N-O 3.47Å; V261-L278 PolarHBondContact O-N 3.18Å; L278-L283 HydrophobicContact CD2-CD1 3.96Å; L278-V343 HydrophobicContact CD2-CG1 4.01Å; L278-F344 HydrophobicContact CD1-CD2 3.92Å; L278-F344 HydrophobicContact CD1-CE2 3.73Å; L278-F344 HydrophobicContact CD2-CE2 4.45Å
279	R	92.8	Very high	83.4	Confident	206 Å²	206	78.8 Å²	78.8	78%	0.777	42%	0.422	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69	143.4	172.6	-172.8	177.2	-178.5	175.4	1.2	110.1	C281	R279-C281 PolarHBondContact O-N 3.48Å; R279-C281 PolarHBondContact O-SG 3.38Å; R279-C281 VanDerWaalsContact O-SG 3.4Å
280	R	93.5	Very high	82.2	Confident	100 Å²	100	85 Å²	85	38%	0.377	45%	0.446	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-46.1	112.6	175.5	-174.6	174.7	172.1	-179.1	-3.9	112.1	Y253 D256 T258 I259 E260	Y253-R280 HydrophobicContact CD2-CG 4.2Å; Y253-R280 HydrophobicContact CE2-CG 4.22Å; D256-R280 IonicContact OD2-CZ 2.97Å; D256-R280 IonicContact OD2-NH2 3.64Å; D256-R280 PolarHBondContact OD2-NH2 2.83Å; T258-R280 PolarHBondContact OG1-NE 2.62Å; I259-R280 WeakPolarHBondContact O-CA 3.26Å; E260-R280 HydrophobicContact CB-CB 4.13Å
281	C	91.1	Very high	81	Confident	41 Å²	41	90.2 Å²	90.2	28%	0.277	45%	0.45	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.3	165.7	176.5	64.3	0	0	0	0	110.7	I259 R279 L283	I259-C281 PolarHBondContact N-O 3.06Å; I259-C281 PolarHBondContact O-N 2.73Å; R279-C281 PolarHBondContact O-N 3.48Å; R279-C281 PolarHBondContact O-SG 3.38Å; R279-C281 VanDerWaalsContact O-SG 3.4Å; C281-L283 PolarHBondContact O-N 3.12Å
282	K	90	Very high	80.1	Confident	102 Å²	102	89.8 Å²	89.8	44%	0.443	45%	0.45	S	S	.	.	P	Polyproline II helix	trans	-72.6	121.5	168.4	-64.5	-166.3	169.3	-170.5	0	108.7	D256 T258 P284 F329	D256-K282 WeakPolarHBondContact O-CE 2.87Å; T258-K282 HydrophobicContact CG2-CG 3.83Å; K282-P284 WeakPolarHBondContact O-CD 3.34Å; K282-F329 HydrophobicContact CB-CD1 3.46Å; K282-F329 VanDerWaalsContact CB-CD1 3.46Å; K282-F329 HydrophobicContact CB-CE1 3.7Å; K282-F329 HydrophobicContact CB-CG 4Å; K282-F329 HydrophobicContact CB-CZ 4.42Å
283	L	90.6	Very high	79.1	Confident	1 Å²	1	88.3 Å²	88.3	1%	0.005	44%	0.443	C	S	.	.	P	Polyproline II helix	trans	-86.8	118.1	-175.8	-171.9	70.4	0	0	0	110.1	I259 L278 C281 F329 Y330 I341 V343 F344	I259-L283 HydrophobicContact CB-CB 4.29Å; I259-L283 HydrophobicContact CD1-CB 3.88Å; I259-L283 HydrophobicContact CD1-CD2 4.02Å; I259-L283 HydrophobicContact CG1-CB 4.38Å; L278-L283 HydrophobicContact CD2-CD1 3.96Å; C281-L283 PolarHBondContact O-N 3.12Å; L283-F329 VanDerWaalsContact O-CA 3.32Å; L283-F329 WeakPolarHBondContact O-CA 3.26Å; L283-Y330 HydrophobicContact CB-CD2 4.03Å; L283-Y330 HydrophobicContact CD2-CD2 3.55Å; L283-Y330 HydrophobicContact CD2-CE2 3.85Å; L283-Y330 HydrophobicContact CD2-CG 4.39Å; L283-Y330 HydrophobicContact CG-CD2 3.71Å; L283-Y330 HydrophobicContact CG-CE2 4.13Å; L283-Y330 WeakPolarHBondContact O-CD2 3.48Å; L283-Y330 PolarHBondContact O-N 3.45Å; L283-I341 HydrophobicContact CD2-CG2 3.66Å; L283-V343 HydrophobicContact CD1-CG1 4.28Å; L283-V343 HydrophobicContact CD2-CG2 4.16Å; L283-F344 HydrophobicContact CD1-CD2 4.04Å; L283-F344 HydrophobicContact CD1-CE2 3.83Å
284	P	89.1	Confident	78	Confident	9 Å²	9	87.7 Å²	87.7	6%	0.058	45%	0.453	C	S	.	.	B	Isolated β-bridge	trans	-74.8	142.2	177	29.9	-32.5	0	0	0	110.9	K282 V289 F329 F344	K282-P284 WeakPolarHBondContact O-CD 3.34Å; P284-V289 HydrophobicContact CB-CG2 4.08Å; P284-V289 HydrophobicContact CG-CG2 3.55Å; P284-F329 HydrophobicContact CB-CD1 4.39Å; P284-F329 HydrophobicContact CB-CE1 4.36Å; P284-F344 HydrophobicContact CG-CE1 4.01Å; P284-F344 HydrophobicContact CG-CZ 4.25Å
285	K	87.3	Confident	76.9	Confident	55 Å²	55	85.4 Å²	85.4	24%	0.239	45%	0.446	C	S	.	.	S	Bend	trans	-71	-40.9	176.1	-66	-174.2	-179.7	-172.4	0	112.1	A287 E328 F329 Y330 D334	K285-A287 PolarHBondContact O-N 3.01Å; K285-E328 HydrophobicContact CB-CB 4.5Å; K285-E328 HydrophobicContact CD-CB 4.17Å; K285-E328 HydrophobicContact CG-CB 4.48Å; K285-E328 PolarHBondContact N-O 2.74Å; K285-F329 WeakPolarHBondContact CE-O 3.34Å; K285-Y330 HydrophobicContact CB-CE2 4.31Å; K285-Y330 HydrophobicContact CG-CD1 4.15Å; K285-Y330 HydrophobicContact CG-CD2 3.97Å; K285-Y330 HydrophobicContact CG-CE1 4.16Å; K285-Y330 HydrophobicContact CG-CE2 4.01Å; K285-Y330 HydrophobicContact CG-CG 4.06Å; K285-D334 WeakPolarHBondContact CE-OD2 3.24Å; K285-D334 IonicContact NZ-OD1 2.87Å; K285-D334 PolarHBondContact NZ-OD1 2.75Å; K285-D334 IonicContact NZ-OD2 3.82Å; K285-D334 PolarHBondContact NZ-OD2 3.41Å
286	N	79.9	Confident	76.2	Confident	119 Å²	119	84.2 Å²	84.2	64%	0.636	44%	0.441	S	S	*	.	S	Bend	trans	-94.9	97.3	-177.1	-60.7	-26.7	0	0	0	109.4
287	A	68.7	Low	74.7	Confident	23 Å²	23	83.6 Å²	83.6	19%	0.19	45%	0.447	C	S	.	.			trans	-110.8	142.2	169.6	0	0	0	0	0	109.9	K285	K285-A287 PolarHBondContact O-N 3.01Å
288	P	58.8	Low	73	Confident	124 Å²	124	83.9 Å²	83.9	81%	0.805	45%	0.453	S	S	*	.	S	Bend	cis	-84.1	134.7	15.1	31.6	-33.9	0	0	0	113.9	Q290	P288-Q290 PolarHBondContact O-N 3.1Å; P288-Q290 VanDerWaalsContact O-N 3.16Å
289	V	62.4	Low	71.2	Confident	64 Å²	64	87.2 Å²	87.2	39%	0.388	48%	0.484	S	S	.	.			trans	-71	108.1	170.4	-176.9	0	0	0	0	107.4	P284 M291 F344	P284-V289 HydrophobicContact CB-CG2 4.08Å; P284-V289 HydrophobicContact CG-CG2 3.55Å; V289-M291 PolarHBondContact O-N 2.56Å; V289-F344 HydrophobicContact CG2-CE1 4.32Å
290	Q	60.1	Low	69.5	Low	174 Å²	174	80 Å²	80	81%	0.813	46%	0.457	S	S	*	.			trans	-56.4	128.5	164.9	-75.3	-176.6	0.2	0	0	107.8	P288 K292	P288-Q290 PolarHBondContact O-N 3.1Å; P288-Q290 VanDerWaalsContact O-N 3.16Å; Q290-K292 PolarHBondContact O-N 3.13Å
291	M	59.3	Low	67.9	Low	192 Å²	192	77.3 Å²	77.3	95%	0.946	45%	0.452	S	S	*	.			trans	-58.3	104.2	-179.1	-171	170.5	159	0	0	108.6	V289	V289-M291 PolarHBondContact O-N 2.56Å
292	K	64.3	Low	66.5	Low	61 Å²	61	77.3 Å²	77.3	27%	0.265	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-66.7	142	-176	-71.1	-177.3	174.8	-179.9	0	109.6	Q290 A296 V297 A325 D327	Q290-K292 PolarHBondContact O-N 3.13Å; K292-A296 HydrophobicContact CB-CB 4.09Å; K292-V297 HydrophobicContact CB-CG2 4.05Å; K292-V297 HydrophobicContact CD-CG2 3.51Å; K292-V297 HydrophobicContact CG-CG2 4.39Å; K292-A325 PolarHBondContact NZ-O 3.02Å; K292-D327 WeakPolarHBondContact CE-OD1 3.4Å; K292-D327 WeakPolarHBondContact CE-OD2 3.39Å; K292-D327 IonicContact NZ-OD1 3.84Å; K292-D327 PolarHBondContact NZ-OD1 3.21Å; K292-D327 IonicContact NZ-OD2 2.67Å; K292-D327 PolarHBondContact NZ-OD2 3.37Å
293	P	63.3	Low	65.2	Low	90 Å²	90	76.7 Å²	76.7	58%	0.584	45%	0.451	S	S	*	.	P	Polyproline II helix	trans	-61.9	150.8	176.6	24.9	-31.7	0	0	0	110.7	G295 A296	P293-G295 PolarHBondContact O-N 3.11Å; P293-A296 HydrophobicContact CG-CB 3.94Å; P293-A296 WeakPolarHBondContact O-CB 3.44Å; P293-A296 PolarHBondContact O-N 3.45Å
294	P	57.6	Low	63.6	Low	137 Å²	137	82.5 Å²	82.5	89%	0.89	48%	0.483	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	125.1	174.2	-23.5	32.3	0	0	0	110.9
295	G	56.7	Low	62	Low	36 Å²	36	85.9 Å²	85.9	37%	0.371	50%	0.503	S	S	.	.	T	Hydrogen-bonded Turn	trans	95.5	-3.7	-177.4	0	0	0	0	0	115.9	P293 T298	P293-G295 PolarHBondContact O-N 3.11Å; G295-T298 PolarHBondContact O-OG1 3.36Å
296	A	61.2	Low	60.2	Low	41 Å²	41	92.7 Å²	92.7	34%	0.339	53%	0.533	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-12.8	172.7	0	0	0	0	0	114.1	K292 P293	K292-A296 HydrophobicContact CB-CB 4.09Å; P293-A296 HydrophobicContact CG-CB 3.94Å; P293-A296 WeakPolarHBondContact O-CB 3.44Å; P293-A296 PolarHBondContact O-N 3.45Å
297	V	57.7	Low	58.9	Low	105 Å²	105	88.8 Å²	88.8	64%	0.636	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-115.2	45	178.4	-163.2	0	0	0	0	110.1	K292	K292-V297 HydrophobicContact CB-CG2 4.05Å; K292-V297 HydrophobicContact CD-CG2 3.51Å; K292-V297 HydrophobicContact CG-CG2 4.39Å
298	T	55.1	Low	58.1	Low	57 Å²	57	93.3 Å²	93.3	35%	0.35	55%	0.546	S	S	.	.	S	Bend	trans	-112.7	148.3	168.9	42.5	0	0	0	0	108.8	G295 R300	G295-T298 PolarHBondContact O-OG1 3.36Å; T298-R300 WeakPolarHBondContact CB-O 3.4Å; T298-R300 PolarHBondContact O-N 2.97Å; T298-R300 PolarHBondContact OG1-O 3.45Å
299	A	55.1	Low	57.8	Low	94 Å²	94	95.8 Å²	95.8	78%	0.777	55%	0.549	S	S	*	.	S	Bend	trans	-57	-22.2	178.8	0	0	0	0	0	112.9
300	R	57.6	Low	57.3	Low	55 Å²	55	100.5 Å²	100.5	21%	0.208	57%	0.572	C	S	.	*	S	Bend	trans	-123.3	147.3	173	-59.7	-158.4	154	129.7	11.9	111	P211 T298 V302 L317 D321	P211-R300 PolarHBondContact O-NH1 2.95Å; P211-R300 PolarHBondContact O-NH2 2.9Å; T298-R300 WeakPolarHBondContact CB-O 3.4Å; T298-R300 PolarHBondContact O-N 2.97Å; T298-R300 PolarHBondContact OG1-O 3.45Å; R300-V302 PolarHBondContact O-N 3.3Å; R300-L317 HydrophobicContact CB-CD2 4.25Å; R300-D321 WeakPolarHBondContact CD-OD1 3.47Å; R300-D321 VanDerWaalsContact CG-OD1 3.24Å; R300-D321 WeakPolarHBondContact CG-OD1 3.38Å; R300-D321 IonicContact NE-OD1 3.68Å; R300-D321 PolarHBondContact NE-OD1 3.25Å; R300-D321 VanDerWaalsContact NE-OD1 3.09Å; R300-D321 IonicContact NE-OD2 3.13Å; R300-D321 IonicContact NH2-OD2 2.68Å
301	T	59.8	Low	57.1	Low	44 Å²	44	99.3 Å²	99.3	27%	0.27	57%	0.567	S	S	.	*			trans	-59.9	129.9	168	21.8	0	0	0	0	109.7	D318 C320 I322	T301-D318 VanDerWaalsContact O-CB 3.28Å; T301-D318 WeakPolarHBondContact O-CB 3.45Å; T301-D318 PolarHBondContact O-N 3.38Å; T301-D318 WeakPolarHBondContact OG1-CB 3.46Å; T301-D318 PolarHBondContact OG1-OD2 3.44Å; T301-C320 PolarHBondContact OG1-O 2.87Å; T301-I322 HydrophobicContact CG2-CB 4.27Å
302	V	62.2	Low	56.7	Low	41 Å²	41	92.8 Å²	92.8	25%	0.248	55%	0.549	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.9	118.5	176.6	166.6	0	0	0	0	108.2	R300 N304 V315 L317	R300-V302 PolarHBondContact O-N 3.3Å; V302-N304 PolarHBondContact O-N 2.83Å; V302-V315 HydrophobicContact CB-CG1 4.24Å; V302-V315 HydrophobicContact CG1-CB 4.49Å; V302-V315 HydrophobicContact CG1-CG1 3.07Å; V302-V315 HydrophobicContact CG2-CG1 4.2Å; V302-L317 HydrophobicContact CG2-CD2 4.21Å
303	L	62	Low	56.2	Low	88 Å²	88	98.3 Å²	98.3	46%	0.461	57%	0.573	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-79.2	113.3	172.9	-119.5	151.4	0	0	0	108.2	V305 V316 D318	L303-V305 VanDerWaalsContact C-N 3.29Å; L303-V305 PolarHBondContact O-N 3.04Å; L303-V316 PolarHBondContact N-O 3.24Å; L303-D318 HydrophobicContact CD1-CB 4.43Å
304	N	58.1	Low	55.8	Low	123 Å²	123	100.8 Å²	100.8	66%	0.658	58%	0.576	S	S	*	*			trans	-70.2	89.2	170.3	-105.2	-7.4	0	0	0	108.6	V302 F306	V302-N304 PolarHBondContact O-N 2.83Å; N304-F306 PolarHBondContact O-N 3.34Å
305	V	55.1	Low	55.9	Low	81 Å²	81	98.4 Å²	98.4	49%	0.491	56%	0.559	S	S	.	*			trans	-79.7	108.3	168.2	-172	0	0	0	0	106.7	L303 G307 V316	L303-V305 VanDerWaalsContact C-N 3.29Å; L303-V305 PolarHBondContact O-N 3.04Å; V305-G307 PolarHBondContact O-N 3.37Å; V305-V316 HydrophobicContact CG2-CB 4.14Å; V305-V316 HydrophobicContact CG2-CG2 3.88Å
306	F	48.8	Very low	56.3	Low	197 Å²	197	100.3 Å²	100.3	86%	0.864	56%	0.563	S	S	*	*			trans	-61.3	100.2	176	-73.1	-88.4	0	0	0	109.8	N304	N304-F306 PolarHBondContact O-N 3.34Å
307	G	52.9	Low	56.3	Low	37 Å²	37	103.3 Å²	103.3	38%	0.381	57%	0.573	S	S	.	*			trans	-82.1	132.1	163.4	0	0	0	0	0	109.9	V305 M309	V305-G307 PolarHBondContact O-N 3.37Å; G307-M309 PolarHBondContact O-N 3.1Å
308	T	52.8	Low	56.4	Low	119 Å²	119	99.8 Å²	99.8	73%	0.73	55%	0.551	S	S	*	*			trans	-54.4	135	164.9	21.6	0	0	0	0	109.4	N310 E311	T308-N310 PolarHBondContact O-N 2.93Å; T308-E311 PolarHBondContact O-N 3.43Å; T308-E311 VanDerWaalsContact O-N 3.09Å
309	M	51.8	Low	56.6	Low	176 Å²	176	102.5 Å²	102.5	87%	0.867	57%	0.572	S	S	*	*	T	Hydrogen-bonded Turn	trans	-49.3	-8.8	-163.8	-63.2	-74.7	-105	0	0	117.8	G307	G307-M309 PolarHBondContact O-N 3.1Å
310	N	52.7	Low	56.7	Low	163 Å²	163	101.7 Å²	101.7	87%	0.872	56%	0.56	S	S	*	*	T	Hydrogen-bonded Turn	trans	-103.3	-11.8	-175.7	-65.1	-7.2	0	0	0	114.3	T308	T308-N310 PolarHBondContact O-N 2.93Å
311	E	55.7	Low	56.6	Low	149 Å²	149	102.6 Å²	102.6	70%	0.696	57%	0.569	S	S	*	*	S	Bend	trans	-115.2	130.5	172	-69.7	178.5	174.7	0	0	108	T308 K313	T308-E311 PolarHBondContact O-N 3.43Å; T308-E311 VanDerWaalsContact O-N 3.09Å; E311-K313 PolarHBondContact O-N 2.78Å
312	G	49.9	Very low	56.4	Low	55 Å²	55	106.1 Å²	106.1	57%	0.567	59%	0.585	S	S	*	*			trans	-47	140.5	-169.3	0	0	0	0	0	112.8	H314	G312-H314 PolarHBondContact O-CD2 2.8Å; G312-H314 PolarHBondContact O-N 2.85Å
313	K	54.4	Low	55.9	Low	176 Å²	176	107.2 Å²	107.2	77%	0.765	61%	0.605	S	S	*	*			trans	-58.7	97.8	177	-68.3	-179.6	179.9	179.6	0	109.4	E311 V315	E311-K313 PolarHBondContact O-N 2.78Å; K313-V315 PolarHBondContact O-N 3.38Å
314	H	55.5	Low	55.6	Low	142 Å²	142	105 Å²	105	66%	0.657	60%	0.599	S	S	*	*			trans	-81	106.2	175.7	-74.6	-71.7	0	0	0	108.9	G312	G312-H314 PolarHBondContact O-CD2 2.8Å; G312-H314 PolarHBondContact O-N 2.85Å
315	V	59.5	Low	55.5	Low	88 Å²	88	102.8 Å²	102.8	53%	0.533	60%	0.597	S	S	.	*			trans	-84.8	114.5	176.1	-174.6	0	0	0	0	108.2	V302 K313	V302-V315 HydrophobicContact CB-CG1 4.24Å; V302-V315 HydrophobicContact CG1-CB 4.49Å; V302-V315 HydrophobicContact CG1-CG1 3.07Å; V302-V315 HydrophobicContact CG2-CG1 4.2Å; K313-V315 PolarHBondContact O-N 3.38Å
316	V	63.8	Low	55.8	Low	76 Å²	76	104.9 Å²	104.9	46%	0.461	61%	0.611	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-98.2	129.6	177.4	-177.4	0	0	0	0	108.8	L303 V305	L303-V316 PolarHBondContact N-O 3.24Å; V305-V316 HydrophobicContact CG2-CB 4.14Å; V305-V316 HydrophobicContact CG2-CG2 3.88Å
317	L	61.9	Low	56.9	Low	104 Å²	104	98.2 Å²	98.2	55%	0.545	58%	0.584	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-76.1	130.1	173.2	-63.1	170.3	0	0	0	108.6	R300 V302	R300-L317 HydrophobicContact CB-CD2 4.25Å; V302-L317 HydrophobicContact CG2-CD2 4.21Å
318	D	59.9	Low	58.5	Low	31 Å²	31	102 Å²	102	17%	0.166	59%	0.592	C	S	.	*	P	Polyproline II helix	trans	-67.2	137.6	174.2	-163.7	-6	0	0	0	109.8	T301 L303 C320	T301-D318 VanDerWaalsContact O-CB 3.28Å; T301-D318 WeakPolarHBondContact O-CB 3.45Å; T301-D318 PolarHBondContact O-N 3.38Å; T301-D318 WeakPolarHBondContact OG1-CB 3.46Å; T301-D318 PolarHBondContact OG1-OD2 3.44Å; L303-D318 HydrophobicContact CD1-CB 4.43Å; D318-C320 PolarHBondContact OD1-N 3.03Å; D318-C320 VanDerWaalsContact OD1-N 3.08Å
319	S	59.7	Low	60.2	Low	114 Å²	114	100.1 Å²	100.1	80%	0.797	57%	0.574	S	S	*	*	S	Bend	trans	-84.2	-20	175.4	53.8	0	0	0	0	111.9	D321	S319-D321 PolarHBondContact O-N 3.29Å
320	C	57.3	Low	62.2	Low	77 Å²	77	93.1 Å²	93.1	52%	0.52	54%	0.538	S	S	.	.	S	Bend	trans	-83.2	93.4	167.9	-60.3	0	0	0	0	106.4	T301 D318 I322	T301-C320 PolarHBondContact OG1-O 2.87Å; D318-C320 PolarHBondContact OD1-N 3.03Å; D318-C320 VanDerWaalsContact OD1-N 3.08Å; C320-I322 HydrophobicContact CB-CG1 4.32Å; C320-I322 PolarHBondContact O-N 3.37Å
321	D	54.5	Low	64.1	Low	74 Å²	74	91.3 Å²	91.3	40%	0.396	52%	0.522	S	S	.	.			trans	-63	78.1	169.9	-76.9	-31.3	0	0	0	108.3	R300 S319 G323	R300-D321 WeakPolarHBondContact CD-OD1 3.47Å; R300-D321 VanDerWaalsContact CG-OD1 3.24Å; R300-D321 WeakPolarHBondContact CG-OD1 3.38Å; R300-D321 IonicContact NE-OD1 3.68Å; R300-D321 PolarHBondContact NE-OD1 3.25Å; R300-D321 VanDerWaalsContact NE-OD1 3.09Å; R300-D321 IonicContact NE-OD2 3.13Å; R300-D321 IonicContact NH2-OD2 2.68Å; S319-D321 PolarHBondContact O-N 3.29Å; D321-G323 PolarHBondContact O-N 3.11Å
322	I	55.7	Low	65.8	Low	117 Å²	117	84.7 Å²	84.7	60%	0.6	49%	0.492	S	S	*	.			trans	-70.4	89	169.4	-56.5	164.6	0	0	0	103.8	T301 C320 A324	T301-I322 HydrophobicContact CG2-CB 4.27Å; C320-I322 HydrophobicContact CB-CG1 4.32Å; C320-I322 PolarHBondContact O-N 3.37Å; I322-A324 PolarHBondContact O-N 2.87Å
323	G	51.5	Low	67.7	Low	65 Å²	65	85.3 Å²	85.3	67%	0.67	49%	0.487	S	S	*	.			trans	-35.5	122.9	-167	0	0	0	0	0	112.5	D321 A325	D321-G323 PolarHBondContact O-N 3.11Å; G323-A325 PolarHBondContact O-N 3.29Å
324	A	55.2	Low	69.5	Low	41 Å²	41	79 Å²	79	34%	0.339	46%	0.461	S	S	.	.			trans	-48.6	133.2	176.3	0	0	0	0	0	108.8	I322 T326	I322-A324 PolarHBondContact O-N 2.87Å; A324-T326 VanDerWaalsContact C-N 3.34Å; A324-T326 PolarHBondContact O-N 2.97Å
325	A	56.6	Low	71.2	Confident	76 Å²	76	72.2 Å²	72.2	63%	0.628	43%	0.43	S	S	*	.			trans	-55.2	102.2	172.6	0	0	0	0	0	107.9	K292 G323 D327	K292-A325 PolarHBondContact NZ-O 3.02Å; G323-A325 PolarHBondContact O-N 3.29Å; A325-D327 PolarHBondContact O-N 3.3Å
326	T	61.4	Low	72.7	Confident	126 Å²	126	69.7 Å²	69.7	77%	0.773	42%	0.418	S	S	*	.			trans	-72.2	105.5	-175.1	50.3	0	0	0	0	107.4	A324 E328	A324-T326 VanDerWaalsContact C-N 3.34Å; A324-T326 PolarHBondContact O-N 2.97Å; T326-E328 PolarHBondContact O-N 3.03Å
327	D	73.1	Confident	74	Confident	57 Å²	57	67.9 Å²	67.9	31%	0.305	41%	0.405	S	S	.	.	P	Polyproline II helix	trans	-65	128.4	168.6	-66	-28.9	0	0	0	108.3	K292 A325 F329	K292-D327 WeakPolarHBondContact CE-OD1 3.4Å; K292-D327 WeakPolarHBondContact CE-OD2 3.39Å; K292-D327 IonicContact NZ-OD1 3.84Å; K292-D327 PolarHBondContact NZ-OD1 3.21Å; K292-D327 IonicContact NZ-OD2 2.67Å; K292-D327 PolarHBondContact NZ-OD2 3.37Å; A325-D327 PolarHBondContact O-N 3.3Å; D327-F329 HydrophobicContact CB-CE1 4.38Å; D327-F329 HydrophobicContact CB-CE2 3.89Å; D327-F329 HydrophobicContact CB-CZ 3.78Å; D327-F329 WeakPolarHBondContact O-CD2 3.5Å; D327-F329 VanDerWaalsContact O-CE2 3.26Å; D327-F329 WeakPolarHBondContact O-CE2 3.11Å; D327-F329 PolarHBondContact O-N 2.62Å
328	E	85.3	Confident	75.3	Confident	117 Å²	117	64.9 Å²	64.9	55%	0.547	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-74.9	116.2	173	-65.4	-175.4	-176.9	0	0	109	K285 T326	K285-E328 HydrophobicContact CB-CB 4.5Å; K285-E328 HydrophobicContact CD-CB 4.17Å; K285-E328 HydrophobicContact CG-CB 4.48Å; K285-E328 PolarHBondContact N-O 2.74Å; T326-E328 PolarHBondContact O-N 3.03Å
329	F	89.8	Confident	76.7	Confident	79 Å²	79	68 Å²	68	35%	0.346	41%	0.412	S	S	.	.	B	Isolated β-bridge	trans	-97.1	150.4	175.3	-61.8	-78.8	0	0	0	110.8	K282 L283 P284 K285 D327 K331	K282-F329 HydrophobicContact CB-CD1 3.46Å; K282-F329 VanDerWaalsContact CB-CD1 3.46Å; K282-F329 HydrophobicContact CB-CE1 3.7Å; K282-F329 HydrophobicContact CB-CG 4Å; K282-F329 HydrophobicContact CB-CZ 4.42Å; L283-F329 VanDerWaalsContact O-CA 3.32Å; L283-F329 WeakPolarHBondContact O-CA 3.26Å; P284-F329 HydrophobicContact CB-CD1 4.39Å; P284-F329 HydrophobicContact CB-CE1 4.36Å; K285-F329 WeakPolarHBondContact CE-O 3.34Å; D327-F329 HydrophobicContact CB-CE1 4.38Å; D327-F329 HydrophobicContact CB-CE2 3.89Å; D327-F329 HydrophobicContact CB-CZ 3.78Å; D327-F329 WeakPolarHBondContact O-CD2 3.5Å; D327-F329 VanDerWaalsContact O-CE2 3.26Å; D327-F329 WeakPolarHBondContact O-CE2 3.11Å; D327-F329 PolarHBondContact O-N 2.62Å; F329-K331 PolarHBondContact O-N 3.11Å
330	Y	92.4	Very high	78.3	Confident	29 Å²	29	67.2 Å²	67.2	11%	0.114	40%	0.396	C	S	.	.	P	Polyproline II helix	trans	-60.8	130	171	-78.9	-80.3	0	0	0	110.6	L283 K285 D334 I341 N342	L283-Y330 HydrophobicContact CB-CD2 4.03Å; L283-Y330 HydrophobicContact CD2-CD2 3.55Å; L283-Y330 HydrophobicContact CD2-CE2 3.85Å; L283-Y330 HydrophobicContact CD2-CG 4.39Å; L283-Y330 HydrophobicContact CG-CD2 3.71Å; L283-Y330 HydrophobicContact CG-CE2 4.13Å; L283-Y330 WeakPolarHBondContact O-CD2 3.48Å; L283-Y330 PolarHBondContact O-N 3.45Å; K285-Y330 HydrophobicContact CB-CE2 4.31Å; K285-Y330 HydrophobicContact CG-CD1 4.15Å; K285-Y330 HydrophobicContact CG-CD2 3.97Å; K285-Y330 HydrophobicContact CG-CE1 4.16Å; K285-Y330 HydrophobicContact CG-CE2 4.01Å; K285-Y330 HydrophobicContact CG-CG 4.06Å; Y330-D334 HydrophobicContact CD1-CB 3.83Å; Y330-D334 HydrophobicContact CE1-CB 4.46Å; Y330-I341 HydrophobicContact CD1-CG2 4.49Å; Y330-I341 HydrophobicContact CD2-CG2 4.31Å; Y330-I341 HydrophobicContact CE1-CG2 4.08Å; Y330-I341 HydrophobicContact CE2-CG2 3.83Å; Y330-N342 PolarHBondContact OH-N 2.91Å
331	K	92.5	Very high	80	Confident	125 Å²	125	63.7 Å²	63.7	54%	0.543	37%	0.371	S	S	.	.			trans	-107.3	169	170.4	-64.5	-174.7	178.9	-177.5	0	109.8	F329 C333 D334	F329-K331 PolarHBondContact O-N 3.11Å; K331-C333 VanDerWaalsContact C-N 3.26Å; K331-C333 PolarHBondContact O-N 3.25Å; K331-D334 PolarHBondContact N-OD2 3.38Å; K331-D334 WeakPolarHBondContact O-CB 3.41Å; K331-D334 PolarHBondContact O-N 3.29Å
332	D	91.7	Very high	81.8	Confident	10 Å²	10	62.1 Å²	62.1	5%	0.053	36%	0.363	C	S	.	.	G	3₁₀ helix	trans	-55.7	-38	172.6	60.4	-21.6	0	0	0	112.9	L229 Y252 D334 L335 Y360 Y361 K364 Y365	L229-D332 HydrophobicContact CD1-CB 4.04Å; Y252-D332 HydrophobicContact CD1-CB 4.38Å; Y252-D332 HydrophobicContact CE1-CB 3.86Å; Y252-D332 PolarHBondContact OH-N 3.32Å; D332-D334 PolarHBondContact O-N 3.43Å; D332-L335 PolarHBondContact O-N 3.21Å; D332-Y360 PolarHBondContact OD2-OH 3.3Å; D332-Y361 PolarHBondContact O-OH 2.93Å; D332-K364 IonicContact OD1-NZ 3.93Å; D332-K364 IonicContact OD2-NZ 3.29Å; D332-K364 PolarHBondContact OD2-NZ 3Å; D332-Y365 PolarHBondContact OD1-OH 2.88Å; D332-Y365 VanDerWaalsContact OD1-OH 3.1Å; D332-Y365 PolarHBondContact OD2-OH 3.24Å
333	C	91.1	Very high	83.5	Confident	68 Å²	68	56.7 Å²	56.7	46%	0.459	34%	0.335	S	S	.	.	G	3₁₀ helix	trans	-54.6	-28	174.3	-56.1	0	0	0	0	114.3	K331 Y365	K331-C333 VanDerWaalsContact C-N 3.26Å; K331-C333 PolarHBondContact O-N 3.25Å; C333-Y365 HydrophobicContact CB-CE1 4.39Å; C333-Y365 PolarHBondContact N-OH 2.95Å; C333-Y365 VanDerWaalsContact SG-CE1 3.56Å; C333-Y365 PolarHBondContact SG-OH 3.09Å
334	D	90.8	Very high	85.2	Confident	43 Å²	43	57.9 Å²	57.9	23%	0.23	32%	0.322	C	S	.	.	G	3₁₀ helix	trans	-82.1	-19.2	-175.6	-58.5	-55.7	0	0	0	112.3	K285 Y330 K331 D332 K339	K285-D334 WeakPolarHBondContact CE-OD2 3.24Å; K285-D334 IonicContact NZ-OD1 2.87Å; K285-D334 PolarHBondContact NZ-OD1 2.75Å; K285-D334 IonicContact NZ-OD2 3.82Å; K285-D334 PolarHBondContact NZ-OD2 3.41Å; Y330-D334 HydrophobicContact CD1-CB 3.83Å; Y330-D334 HydrophobicContact CE1-CB 4.46Å; K331-D334 PolarHBondContact N-OD2 3.38Å; K331-D334 WeakPolarHBondContact O-CB 3.41Å; K331-D334 PolarHBondContact O-N 3.29Å; D332-D334 PolarHBondContact O-N 3.43Å; D334-K339 VanDerWaalsContact O-CD 3.23Å; D334-K339 WeakPolarHBondContact O-CD 3.48Å
335	L	92	Very high	86.6	Confident	0 Å²	0	58.7 Å²	58.7	0%	0	34%	0.335	C	S	.	.			trans	-92	114.3	-175.1	-52.1	173	0	0	0	109.9	F231 L250 Y252 D332 I341 L350 Y361	F231-L335 HydrophobicContact CD2-CD1 4.49Å; F231-L335 HydrophobicContact CE2-CB 3.93Å; F231-L335 HydrophobicContact CE2-CD1 3.87Å; F231-L335 HydrophobicContact CZ-CB 3.8Å; L250-L335 HydrophobicContact CD2-CD1 4.46Å; Y252-L335 HydrophobicContact CD2-CD1 3.54Å; Y252-L335 HydrophobicContact CE2-CD1 4.27Å; Y252-L335 HydrophobicContact CG-CD1 3.83Å; D332-L335 PolarHBondContact O-N 3.21Å; L335-I341 HydrophobicContact CD2-CD1 3.29Å; L335-I341 HydrophobicContact CD2-CG1 4.08Å; L335-L350 HydrophobicContact CB-CD1 4.27Å; L335-Y361 WeakPolarHBondContact O-CE1 3.36Å; L335-Y361 PolarHBondContact O-OH 2.99Å; L335-Y361 VanDerWaalsContact O-OH 3.12Å
336	A	90.1	Very high	88.2	Confident	35 Å²	35	60.2 Å²	60.2	29%	0.289	32%	0.324	S	S	.	.			trans	-145.3	152.1	174.1	0	0	0	0	0	110.5	G338 K339 L350	A336-G338 PolarHBondContact O-N 3.09Å; A336-K339 HydrophobicContact CB-CD 3.83Å; A336-K339 HydrophobicContact CB-CG 4.12Å; A336-K339 WeakPolarHBondContact O-CB 3.3Å; A336-K339 PolarHBondContact O-N 3.39Å; A336-L350 WeakPolarHBondContact O-CB 3.36Å; A336-L350 WeakPolarHBondContact O-CD1 3.16Å
337	I	91.6	Very high	89.6	Confident	37 Å²	37	62.3 Å²	62.3	19%	0.19	32%	0.318	C	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	134.6	176.8	-62.9	167.3	0	0	0	109.3	K339 T351 C353 F370 T371 V373	I337-K339 VanDerWaalsContact C-N 3.31Å; I337-K339 PolarHBondContact O-N 3.49Å; I337-T351 WeakPolarHBondContact CG2-O 3.4Å; I337-C353 HydrophobicContact CD1-CB 4.45Å; I337-C353 HydrophobicContact CG1-CB 4.44Å; I337-F370 HydrophobicContact CD1-CB 3.86Å; I337-F370 HydrophobicContact CD1-CD1 3.86Å; I337-F370 HydrophobicContact CD1-CG 4.36Å; I337-T371 WeakPolarHBondContact CG2-O 3.33Å; I337-V373 HydrophobicContact CG2-CG2 4.06Å
338	G	88.7	Confident	90.6	Very high	41 Å²	41	59.6 Å²	59.6	42%	0.423	30%	0.303	S	S	.	.	T	Hydrogen-bonded Turn	trans	85.1	-9	-176.5	0	0	0	0	0	115.1	A336 L350	A336-G338 PolarHBondContact O-N 3.09Å; G338-L350 PolarHBondContact N-O 3.34Å
339	K	90.5	Very high	91	Very high	97 Å²	97	56.1 Å²	56.1	42%	0.422	29%	0.288	S	S	.	.			trans	-81.6	149.1	172.6	-70.5	-174.9	-179.9	175.3	0	111.7	D334 A336 I337 L350	D334-K339 VanDerWaalsContact O-CD 3.23Å; D334-K339 WeakPolarHBondContact O-CD 3.48Å; A336-K339 HydrophobicContact CB-CD 3.83Å; A336-K339 HydrophobicContact CB-CG 4.12Å; A336-K339 WeakPolarHBondContact O-CB 3.3Å; A336-K339 PolarHBondContact O-N 3.39Å; I337-K339 VanDerWaalsContact C-N 3.31Å; I337-K339 PolarHBondContact O-N 3.49Å; K339-L350 WeakPolarHBondContact O-CB 3.49Å; K339-L350 PolarHBondContact O-N 3.27Å
340	E	92.1	Very high	91.3	Very high	98 Å²	98	52.4 Å²	52.4	46%	0.458	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.7	171.7	-64.1	177.8	-165.6	0	0	111.2	R347 V348 L349	E340-R347 VanDerWaalsContact CD-NH2 3.34Å; E340-R347 IonicContact OE1-NH2 2.98Å; E340-R347 PolarHBondContact OE1-NH2 3.03Å; E340-R347 IonicContact OE2-CZ 3.26Å; E340-R347 IonicContact OE2-NE 3.68Å; E340-R347 PolarHBondContact OE2-NE 3.28Å; E340-R347 IonicContact OE2-NH2 3.76Å; E340-R347 PolarHBondContact OE2-NH2 2.79Å; E340-V348 CarbonylContact C-O 3.52Å; E340-V348 WeakPolarHBondContact CA-O 3.36Å; E340-L349 HydrophobicContact CG-CB 4.49Å; E340-L349 HydrophobicContact CG-CD1 3.83Å
341	I	93.3	Very high	91.3	Very high	3 Å²	3	51.4 Å²	51.4	2%	0.015	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.2	138.2	178.1	-60.8	166.9	0	0	0	108.7	L250 L283 Y330 L335 V343 V348 L350	L250-I341 HydrophobicContact CD1-CD1 3.65Å; L283-I341 HydrophobicContact CD2-CG2 3.66Å; Y330-I341 HydrophobicContact CD1-CG2 4.49Å; Y330-I341 HydrophobicContact CD2-CG2 4.31Å; Y330-I341 HydrophobicContact CE1-CG2 4.08Å; Y330-I341 HydrophobicContact CE2-CG2 3.83Å; L335-I341 HydrophobicContact CD2-CD1 3.29Å; L335-I341 HydrophobicContact CD2-CG1 4.08Å; I341-V343 HydrophobicContact CG2-CG2 4.1Å; I341-V343 PolarHBondContact O-N 3.48Å; I341-V348 PolarHBondContact N-O 2.9Å; I341-V348 PolarHBondContact O-N 3.23Å; I341-L350 HydrophobicContact CD1-CD1 3.73Å; I341-L350 HydrophobicContact CD1-CD2 3.79Å; I341-L350 HydrophobicContact CD1-CG 3.76Å; I341-L350 HydrophobicContact CG1-CD1 4.25Å; I341-L350 HydrophobicContact CG1-CG 4.36Å
342	N	91.6	Very high	91.4	Very high	40 Å²	40	47.6 Å²	47.6	21%	0.214	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.3	105.2	173.1	-173.3	5.7	0	0	0	110.4	Y330 G345	Y330-N342 PolarHBondContact OH-N 2.91Å; N342-G345 WeakPolarHBondContact OD1-CA 3.1Å; N342-G345 PolarHBondContact OD1-N 2.89Å
343	V	91.4	Very high	91.5	Very high	3 Å²	3	47.2 Å²	47.2	2%	0.018	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	87	174.9	-174	0	0	0	0	109.2	L278 L283 I341 G345 R346 V348	L278-V343 HydrophobicContact CD2-CG1 4.01Å; L283-V343 HydrophobicContact CD1-CG1 4.28Å; L283-V343 HydrophobicContact CD2-CG2 4.16Å; I341-V343 HydrophobicContact CG2-CG2 4.1Å; I341-V343 PolarHBondContact O-N 3.48Å; V343-G345 VanDerWaalsContact C-N 3.3Å; V343-G345 PolarHBondContact O-N 2.88Å; V343-R346 PolarHBondContact N-O 2.99Å; V343-R346 WeakPolarHBondContact O-CB 3.47Å; V343-R346 PolarHBondContact O-N 3.29Å; V343-R346 VanDerWaalsContact O-N 3.08Å; V343-V348 HydrophobicContact CB-CG2 4.2Å; V343-V348 HydrophobicContact CG2-CB 4.22Å; V343-V348 HydrophobicContact CG2-CG2 3.77Å
344	F	87.5	Confident	91.6	Very high	91 Å²	91	46.3 Å²	46.3	40%	0.399	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	50.7	44	179.5	-68.4	-76.8	0	0	0	114	L278 L283 P284 V289	L278-F344 HydrophobicContact CD1-CD2 3.92Å; L278-F344 HydrophobicContact CD1-CE2 3.73Å; L278-F344 HydrophobicContact CD2-CE2 4.45Å; L283-F344 HydrophobicContact CD1-CD2 4.04Å; L283-F344 HydrophobicContact CD1-CE2 3.83Å; P284-F344 HydrophobicContact CG-CE1 4.01Å; P284-F344 HydrophobicContact CG-CZ 4.25Å; V289-F344 HydrophobicContact CG2-CE1 4.32Å
345	G	85.7	Confident	91.8	Very high	58 Å²	58	49.9 Å²	49.9	60%	0.598	26%	0.259	S	S	*	.	T	Hydrogen-bonded Turn	trans	98.1	-6.5	-179.8	0	0	0	0	0	114.6	N342 V343	N342-G345 WeakPolarHBondContact OD1-CA 3.1Å; N342-G345 PolarHBondContact OD1-N 2.89Å; V343-G345 VanDerWaalsContact C-N 3.3Å; V343-G345 PolarHBondContact O-N 2.88Å
346	R	89.4	Confident	91.9	Very high	108 Å²	108	54.2 Å²	54.2	41%	0.408	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	127.6	175.4	-61.5	-179.3	-179.6	85.3	0.2	110.6	W235 V343 V348	W235-R346 HydrophobicContact CZ2-CG 4.1Å; V343-R346 PolarHBondContact N-O 2.99Å; V343-R346 WeakPolarHBondContact O-CB 3.47Å; V343-R346 PolarHBondContact O-N 3.29Å; V343-R346 VanDerWaalsContact O-N 3.08Å; R346-V348 PolarHBondContact O-N 2.6Å
347	R	91.5	Very high	92.1	Very high	169 Å²	169	52.5 Å²	52.5	64%	0.638	26%	0.264	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.8	110.6	176.5	-65.4	173.4	69.2	-172.7	1.5	109.3	E340	E340-R347 VanDerWaalsContact CD-NH2 3.34Å; E340-R347 IonicContact OE1-NH2 2.98Å; E340-R347 PolarHBondContact OE1-NH2 3.03Å; E340-R347 IonicContact OE2-CZ 3.26Å; E340-R347 IonicContact OE2-NE 3.68Å; E340-R347 PolarHBondContact OE2-NE 3.28Å; E340-R347 IonicContact OE2-NH2 3.76Å; E340-R347 PolarHBondContact OE2-NH2 2.79Å
348	V	93.8	Very high	92.2	Very high	1 Å²	1	52.3 Å²	52.3	1%	0.006	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.8	118.8	-178.2	177.5	0	0	0	0	108.9	C233 W235 L248 E340 I341 V343 R346	C233-V348 HydrophobicContact CB-CG1 3.4Å; C233-V348 VanDerWaalsContact CB-CG1 3.4Å; W235-V348 HydrophobicContact CB-CG2 4.26Å; W235-V348 HydrophobicContact CG-CG2 4.46Å; L248-V348 HydrophobicContact CD1-CG1 4.13Å; L248-V348 HydrophobicContact CD1-CG2 4.09Å; E340-V348 CarbonylContact C-O 3.52Å; E340-V348 WeakPolarHBondContact CA-O 3.36Å; I341-V348 PolarHBondContact N-O 2.9Å; I341-V348 PolarHBondContact O-N 3.23Å; V343-V348 HydrophobicContact CB-CG2 4.2Å; V343-V348 HydrophobicContact CG2-CB 4.22Å; V343-V348 HydrophobicContact CG2-CG2 3.77Å; R346-V348 PolarHBondContact O-N 2.6Å
349	L	94.4	Very high	92.4	Very high	44 Å²	44	52.8 Å²	52.8	23%	0.23	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	127.9	-179.7	179.7	68.2	0	0	0	110.7	C233 L234 E340 T351 V373	C233-L349 CarbonylContact C-O 3.51Å; C233-L349 WeakPolarHBondContact CA-O 3.44Å; C233-L349 WeakPolarHBondContact CB-O 3.28Å; L234-L349 PolarHBondContact N-O 2.85Å; L234-L349 PolarHBondContact O-N 3.02Å; E340-L349 HydrophobicContact CG-CB 4.49Å; E340-L349 HydrophobicContact CG-CD1 3.83Å; L349-T351 HydrophobicContact CD2-CG2 4.41Å; L349-T351 HydrophobicContact CG-CG2 4.47Å; L349-T351 PolarHBondContact O-N 3.08Å; L349-V373 HydrophobicContact CD2-CG1 4.33Å
350	L	94.9	Very high	92.6	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.1	117.3	171.6	-67	171.2	0	0	0	110.2	F231 C233 L335 A336 G338 K339 I341	F231-L350 HydrophobicContact CB-CD2 3.52Å; F231-L350 HydrophobicContact CD1-CD2 3.99Å; F231-L350 HydrophobicContact CG-CD2 3.8Å; C233-L350 VanDerWaalsContact SG-CD2 3.57Å; L335-L350 HydrophobicContact CB-CD1 4.27Å; A336-L350 WeakPolarHBondContact O-CB 3.36Å; A336-L350 WeakPolarHBondContact O-CD1 3.16Å; G338-L350 PolarHBondContact N-O 3.34Å; K339-L350 WeakPolarHBondContact O-CB 3.49Å; K339-L350 PolarHBondContact O-N 3.27Å; I341-L350 HydrophobicContact CD1-CD1 3.73Å; I341-L350 HydrophobicContact CD1-CD2 3.79Å; I341-L350 HydrophobicContact CD1-CG 3.76Å; I341-L350 HydrophobicContact CG1-CD1 4.25Å; I341-L350 HydrophobicContact CG1-CG 4.36Å
351	T	92.9	Very high	92.7	Very high	8 Å²	8	46 Å²	46	5%	0.049	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	-41.8	-174.3	55.5	0	0	0	0	113.5	Y232 L234 I337 L349 P372 V373	Y232-T351 PolarHBondContact O-N 3.3Å; Y232-T351 PolarHBondContact O-OG1 3.04Å; Y232-T351 VanDerWaalsContact O-OG1 3.04Å; L234-T351 HydrophobicContact CB-CG2 3.84Å; I337-T351 WeakPolarHBondContact CG2-O 3.4Å; L349-T351 HydrophobicContact CD2-CG2 4.41Å; L349-T351 HydrophobicContact CG-CG2 4.47Å; L349-T351 PolarHBondContact O-N 3.08Å; T351-P372 WeakPolarHBondContact O-CA 3.25Å; T351-V373 HydrophobicContact CG2-CB 4.45Å; T351-V373 PolarHBondContact O-N 3.44Å
352	D	93.9	Very high	92.7	Very high	45 Å²	45	51.8 Å²	51.8	24%	0.241	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.8	172.5	179.1	-170.1	15.8	0	0	0	110	Y232 K358 P372	Y232-D352 HydrophobicContact CD2-CB 3.97Å; Y232-D352 PolarHBondContact N-O 3.37Å; Y232-D352 PolarHBondContact O-N 2.84Å; D352-K358 IonicContact OD1-NZ 2.74Å; D352-K358 PolarHBondContact OD1-NZ 2.94Å; D352-P372 HydrophobicContact CB-CB 4.13Å
353	C	93.6	Very high	92.7	Very high	3 Å²	3	59 Å²	59	2%	0.02	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144	161.2	178.8	72.3	0	0	0	0	111.7	F231 I337 T357 K358	F231-C353 HydrophobicContact CD1-CB 3.5Å; F231-C353 VanDerWaalsContact CD1-CB 3.5Å; F231-C353 HydrophobicContact CE1-CB 3.75Å; F231-C353 HydrophobicContact CG-CB 4.32Å; I337-C353 HydrophobicContact CD1-CB 4.45Å; I337-C353 HydrophobicContact CG1-CB 4.44Å; C353-T357 WeakPolarHBondContact CB-OG1 3.23Å; C353-T357 PolarHBondContact SG-OG1 2.9Å; C353-K358 WeakPolarHBondContact O-CE 3.35Å; C353-K358 PolarHBondContact O-NZ 3.07Å; C353-K358 WeakPolarHBondContact SG-CE 3.49Å; C353-K358 WeakPolarHBondContact SG-CG 3.45Å
354	D	94.8	Very high	92.8	Very high	48 Å²	48	63.5 Å²	63.5	26%	0.257	30%	0.3	S	S	.	.			trans	-74.7	160	-176	-155.8	14.2	0	0	0	113.2	R230 F356 T357 K358	R230-D354 HydrophobicContact CB-CB 4.01Å; R230-D354 IonicContact CZ-OD1 2.87Å; R230-D354 IonicContact CZ-OD2 2.67Å; R230-D354 IonicContact NE-OD1 2.74Å; R230-D354 IonicContact NE-OD2 2.87Å; R230-D354 PolarHBondContact NE-OD2 2.87Å; R230-D354 IonicContact NH2-OD1 3.5Å; R230-D354 PolarHBondContact NH2-OD1 3.24Å; R230-D354 IonicContact NH2-OD2 2.59Å; R230-D354 PolarHBondContact NH2-OD2 2.94Å; R230-D354 PolarHBondContact O-N 2.79Å; D354-F356 VanDerWaalsContact C-N 3.27Å; D354-F356 PolarHBondContact O-N 2.73Å; D354-T357 HydrophobicContact CB-CG2 4.27Å; D354-T357 PolarHBondContact N-OG1 2.77Å; D354-T357 WeakPolarHBondContact O-CA 3.48Å; D354-T357 WeakPolarHBondContact O-CB 2.92Å; D354-T357 PolarHBondContact O-N 3.37Å; D354-T357 PolarHBondContact O-OG1 3.5Å; D354-K358 PolarHBondContact O-N 3.42Å
355	E	94.2	Very high	92.9	Very high	119 Å²	119	63 Å²	63	56%	0.556	30%	0.296	S	S	*	.	H	α-helix	trans	-59.7	-38.9	-178	-168.7	61.3	-153.5	0	0	112.3	T357 K358 A359	E355-T357 VanDerWaalsContact C-N 3.29Å; E355-T357 PolarHBondContact O-N 2.92Å; E355-K358 PolarHBondContact O-N 3.13Å; E355-A359 PolarHBondContact O-N 3.3Å
356	F	94.8	Very high	93.1	Very high	90 Å²	90	62.8 Å²	62.8	40%	0.395	29%	0.294	S	S	.	.	H	α-helix	trans	-59.1	-40.8	174.1	174.5	-103.1	0	0	0	112	K227 T228 L229 D354 A359 Y360	K227-F356 HydrophobicContact CB-CE1 4.37Å; K227-F356 HydrophobicContact CB-CZ 3.99Å; K227-F356 HydrophobicContact CD-CZ 4.48Å; K227-F356 HydrophobicContact CG-CZ 4.11Å; T228-F356 VanDerWaalsContact O-CD1 3.23Å; T228-F356 WeakPolarHBondContact O-CD1 3.48Å; T228-F356 WeakPolarHBondContact O-CE1 3.5Å; L229-F356 HydrophobicContact CD2-CD1 4.35Å; L229-F356 HydrophobicContact CD2-CE1 4.03Å; D354-F356 VanDerWaalsContact C-N 3.27Å; D354-F356 PolarHBondContact O-N 2.73Å; F356-A359 PolarHBondContact O-N 2.98Å; F356-Y360 WeakPolarHBondContact O-CB 3.47Å; F356-Y360 PolarHBondContact O-N 3.47Å
357	T	94.3	Very high	92.9	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.29	C	S	.	.	H	α-helix	trans	-68.4	-41.4	178	63.2	0	0	0	0	111.6	L229 R230 C353 D354 E355 A359 Y360 Y361	L229-T357 HydrophobicContact CB-CG2 3.64Å; L229-T357 HydrophobicContact CD2-CG2 3.82Å; L229-T357 HydrophobicContact CG-CG2 4.37Å; R230-T357 WeakPolarHBondContact O-CG2 3.38Å; C353-T357 WeakPolarHBondContact CB-OG1 3.23Å; C353-T357 PolarHBondContact SG-OG1 2.9Å; D354-T357 HydrophobicContact CB-CG2 4.27Å; D354-T357 PolarHBondContact N-OG1 2.77Å; D354-T357 WeakPolarHBondContact O-CA 3.48Å; D354-T357 WeakPolarHBondContact O-CB 2.92Å; D354-T357 PolarHBondContact O-N 3.37Å; D354-T357 PolarHBondContact O-OG1 3.5Å; E355-T357 VanDerWaalsContact C-N 3.29Å; E355-T357 PolarHBondContact O-N 2.92Å; T357-A359 VanDerWaalsContact C-N 3.29Å; T357-A359 PolarHBondContact O-N 3Å; T357-Y360 WeakPolarHBondContact O-CB 3.49Å; T357-Y360 PolarHBondContact O-N 3.49Å; T357-Y360 VanDerWaalsContact O-N 3.08Å; T357-Y361 VanDerWaalsContact O-CD2 3.28Å; T357-Y361 WeakPolarHBondContact O-CD2 3.08Å; T357-Y361 PolarHBondContact O-N 3.11Å
358	K	93.1	Very high	92.3	Very high	32 Å²	32	59.9 Å²	59.9	14%	0.139	30%	0.296	C	S	.	.	H	α-helix	trans	-56.3	-46.4	174.8	-63.9	177.9	179.4	168.5	0	110.6	D352 C353 D354 E355 Y361 R362 F370	D352-K358 IonicContact OD1-NZ 2.74Å; D352-K358 PolarHBondContact OD1-NZ 2.94Å; C353-K358 WeakPolarHBondContact O-CE 3.35Å; C353-K358 PolarHBondContact O-NZ 3.07Å; C353-K358 WeakPolarHBondContact SG-CE 3.49Å; C353-K358 WeakPolarHBondContact SG-CG 3.45Å; D354-K358 PolarHBondContact O-N 3.42Å; E355-K358 PolarHBondContact O-N 3.13Å; K358-Y361 PolarHBondContact O-N 2.79Å; K358-R362 WeakPolarHBondContact O-CB 3.48Å; K358-R362 VanDerWaalsContact O-CG 3.25Å; K358-R362 WeakPolarHBondContact O-CG 3.18Å; K358-R362 PolarHBondContact O-N 3.41Å; K358-F370 HydrophobicContact CB-CD1 4.32Å; K358-F370 HydrophobicContact CB-CD2 4.27Å; K358-F370 HydrophobicContact CB-CE1 4.23Å; K358-F370 HydrophobicContact CB-CE2 4.17Å; K358-F370 HydrophobicContact CB-CG 4.34Å; K358-F370 HydrophobicContact CB-CZ 4.15Å; K358-F370 HydrophobicContact CD-CB 4.12Å; K358-F370 HydrophobicContact CD-CD1 4.5Å; K358-F370 HydrophobicContact CD-CG 4.17Å; K358-F370 HydrophobicContact CG-CB 4.27Å; K358-F370 HydrophobicContact CG-CD1 3.74Å; K358-F370 HydrophobicContact CG-CD2 4.21Å; K358-F370 HydrophobicContact CG-CE1 4.08Å; K358-F370 HydrophobicContact CG-CG 3.81Å; K358-F370 HydrophobicContact CG-CZ 4.46Å; K358-F370 WeakPolarHBondContact O-CZ 3.15Å
359	A	93.4	Very high	91.7	Very high	51 Å²	51	66.3 Å²	66.3	42%	0.421	33%	0.33	S	S	.	.	H	α-helix	trans	-62.4	-42.2	175.2	0	0	0	0	0	113	E355 F356 T357 R362 F363	E355-A359 PolarHBondContact O-N 3.3Å; F356-A359 PolarHBondContact O-N 2.98Å; T357-A359 VanDerWaalsContact C-N 3.29Å; T357-A359 PolarHBondContact O-N 3Å; A359-R362 PolarHBondContact O-N 3Å; A359-F363 WeakPolarHBondContact O-CB 3.26Å; A359-F363 PolarHBondContact O-N 3.24Å
360	Y	93.8	Very high	91.2	Very high	40 Å²	40	65.4 Å²	65.4	16%	0.157	32%	0.324	C	S	.	.	H	α-helix	trans	-61.5	-47.7	177.3	-179.3	-95.5	0	0	0	112.4	L229 L254 D332 F356 T357 F363 K364 Y365	L229-Y360 HydrophobicContact CD1-CD1 3.99Å; L229-Y360 HydrophobicContact CD1-CE1 3.98Å; L229-Y360 HydrophobicContact CD2-CD1 3.65Å; L229-Y360 HydrophobicContact CD2-CD2 4.39Å; L229-Y360 HydrophobicContact CD2-CE1 4.3Å; L229-Y360 HydrophobicContact CD2-CG 3.7Å; L229-Y360 HydrophobicContact CG-CD1 4.46Å; L254-Y360 HydrophobicContact CD1-CD2 4.1Å; L254-Y360 HydrophobicContact CD1-CE2 3.65Å; L254-Y360 HydrophobicContact CD2-CE1 4.23Å; L254-Y360 HydrophobicContact CD2-CE2 4.25Å; L254-Y360 VanDerWaalsContact CD2-OH 3.3Å; L254-Y360 WeakPolarHBondContact CD2-OH 3.49Å; D332-Y360 PolarHBondContact OD2-OH 3.3Å; F356-Y360 WeakPolarHBondContact O-CB 3.47Å; F356-Y360 PolarHBondContact O-N 3.47Å; T357-Y360 WeakPolarHBondContact O-CB 3.49Å; T357-Y360 PolarHBondContact O-N 3.49Å; T357-Y360 VanDerWaalsContact O-N 3.08Å; Y360-F363 PolarHBondContact O-N 2.97Å; Y360-K364 HydrophobicContact CE1-CB 4.44Å; Y360-K364 HydrophobicContact CE1-CD 3.79Å; Y360-K364 HydrophobicContact CE2-CD 4.41Å; Y360-K364 WeakPolarHBondContact O-CB 3.35Å; Y360-K364 PolarHBondContact O-N 3.12Å; Y360-K364 WeakPolarHBondContact OH-CD 3.41Å; Y360-K364 PolarHBondContact OH-NZ 3.29Å; Y360-K364 VanDerWaalsContact OH-NZ 3.13Å; Y360-Y365 HydrophobicContact CE1-CE2 4.33Å
361	Y	93.6	Very high	90.7	Very high	14 Å²	14	70.6 Å²	70.6	6%	0.055	36%	0.356	C	S	.	.	H	α-helix	trans	-69.1	-35.7	179.4	-81.9	-92.2	0	0	0	112.4	L229 F231 D332 L335 T357 K358 Y365 G366 T367	L229-Y361 HydrophobicContact CD1-CE2 4Å; F231-Y361 HydrophobicContact CE1-CE2 4.47Å; F231-Y361 AromaticContact CZ-CE2 3.66Å; F231-Y361 HydrophobicContact CZ-CE2 3.66Å; F231-Y361 AromaticContact CZ-CZ 3.93Å; D332-Y361 PolarHBondContact O-OH 2.93Å; L335-Y361 WeakPolarHBondContact O-CE1 3.36Å; L335-Y361 PolarHBondContact O-OH 2.99Å; L335-Y361 VanDerWaalsContact O-OH 3.12Å; T357-Y361 VanDerWaalsContact O-CD2 3.28Å; T357-Y361 WeakPolarHBondContact O-CD2 3.08Å; T357-Y361 PolarHBondContact O-N 3.11Å; K358-Y361 PolarHBondContact O-N 2.79Å; Y361-Y365 AromaticContact CD1-CD2 3.37Å; Y361-Y365 HydrophobicContact CD1-CD2 3.37Å; Y361-Y365 AromaticContact CD1-CE2 3.84Å; Y361-Y365 HydrophobicContact CD1-CE2 3.84Å; Y361-Y365 HydrophobicContact CD1-CG 4.32Å; Y361-Y365 AromaticContact CE1-CD2 3.78Å; Y361-Y365 HydrophobicContact CE1-CD2 3.78Å; Y361-Y365 AromaticContact CE1-CE2 3.75Å; Y361-Y365 HydrophobicContact CE1-CE2 3.75Å; Y361-Y365 HydrophobicContact CG-CD2 4.14Å; Y361-Y365 CarbonylContact O-C 3.56Å; Y361-Y365 WeakPolarHBondContact O-CA 3.28Å; Y361-Y365 WeakPolarHBondContact O-CB 3.08Å; Y361-Y365 PolarHBondContact O-N 3.3Å; Y361-G366 PolarHBondContact O-N 2.8Å; Y361-T367 PolarHBondContact O-N 2.97Å
362	R	93.3	Very high	90.5	Very high	124 Å²	124	73.8 Å²	73.8	47%	0.468	38%	0.377	S	S	.	.	H	α-helix	trans	-59.1	-46.6	170.2	-76.8	173.2	-178.6	160.7	3	111.5	K358 A359 G366 T367 F370	K358-R362 WeakPolarHBondContact O-CB 3.48Å; K358-R362 VanDerWaalsContact O-CG 3.25Å; K358-R362 WeakPolarHBondContact O-CG 3.18Å; K358-R362 PolarHBondContact O-N 3.41Å; A359-R362 PolarHBondContact O-N 3Å; R362-G366 VanDerWaalsContact O-CA 3.26Å; R362-G366 WeakPolarHBondContact O-CA 3.3Å; R362-G366 PolarHBondContact O-N 2.74Å; R362-G366 VanDerWaalsContact O-N 3.13Å; R362-T367 WeakPolarHBondContact CG-O 3.16Å; R362-F370 HydrophobicContact CG-CE2 3.76Å; R362-F370 HydrophobicContact CG-CZ 4.13Å
363	F	93.4	Very high	90.1	Very high	192 Å²	192	74.1 Å²	74.1	84%	0.842	38%	0.381	S	S	*	.	H	α-helix	trans	-70.8	-45	-177.6	-178.5	-97.9	0	0	0	113	A359 Y360	A359-F363 WeakPolarHBondContact O-CB 3.26Å; A359-F363 PolarHBondContact O-N 3.24Å; Y360-F363 PolarHBondContact O-N 2.97Å
364	K	92.1	Very high	89.4	Confident	97 Å²	97	82.3 Å²	82.3	42%	0.422	42%	0.419	S	S	.	.	H	α-helix	trans	-85.6	-39.7	-173.4	-173.9	174	178.6	-170.4	0	113.7	D332 Y360	D332-K364 IonicContact OD1-NZ 3.93Å; D332-K364 IonicContact OD2-NZ 3.29Å; D332-K364 PolarHBondContact OD2-NZ 3Å; Y360-K364 HydrophobicContact CE1-CB 4.44Å; Y360-K364 HydrophobicContact CE1-CD 3.79Å; Y360-K364 HydrophobicContact CE2-CD 4.41Å; Y360-K364 WeakPolarHBondContact O-CB 3.35Å; Y360-K364 PolarHBondContact O-N 3.12Å; Y360-K364 WeakPolarHBondContact OH-CD 3.41Å; Y360-K364 PolarHBondContact OH-NZ 3.29Å; Y360-K364 VanDerWaalsContact OH-NZ 3.13Å
365	Y	90.3	Very high	88.5	Confident	81 Å²	81	83.1 Å²	83.1	32%	0.318	42%	0.421	S	S	.	.	H	α-helix	trans	-116.1	-8.7	-172.6	-58.5	-74.2	0	0	0	113.8	D332 C333 Y360 Y361 T367	D332-Y365 PolarHBondContact OD1-OH 2.88Å; D332-Y365 VanDerWaalsContact OD1-OH 3.1Å; D332-Y365 PolarHBondContact OD2-OH 3.24Å; C333-Y365 HydrophobicContact CB-CE1 4.39Å; C333-Y365 PolarHBondContact N-OH 2.95Å; C333-Y365 VanDerWaalsContact SG-CE1 3.56Å; C333-Y365 PolarHBondContact SG-OH 3.09Å; Y360-Y365 HydrophobicContact CE1-CE2 4.33Å; Y361-Y365 AromaticContact CD1-CD2 3.37Å; Y361-Y365 HydrophobicContact CD1-CD2 3.37Å; Y361-Y365 AromaticContact CD1-CE2 3.84Å; Y361-Y365 HydrophobicContact CD1-CE2 3.84Å; Y361-Y365 HydrophobicContact CD1-CG 4.32Å; Y361-Y365 AromaticContact CE1-CD2 3.78Å; Y361-Y365 HydrophobicContact CE1-CD2 3.78Å; Y361-Y365 AromaticContact CE1-CE2 3.75Å; Y361-Y365 HydrophobicContact CE1-CE2 3.75Å; Y361-Y365 HydrophobicContact CG-CD2 4.14Å; Y361-Y365 CarbonylContact O-C 3.56Å; Y361-Y365 WeakPolarHBondContact O-CA 3.28Å; Y361-Y365 WeakPolarHBondContact O-CB 3.08Å; Y361-Y365 PolarHBondContact O-N 3.3Å; Y365-T367 PolarHBondContact O-N 3.22Å
366	G	88.9	Confident	87.6	Confident	53 Å²	53	83.2 Å²	83.2	55%	0.546	42%	0.419	S	S	.	.			trans	67.8	22	-176.7	0	0	0	0	0	113.7	Y361 R362 E368	Y361-G366 PolarHBondContact O-N 2.8Å; R362-G366 VanDerWaalsContact O-CA 3.26Å; R362-G366 WeakPolarHBondContact O-CA 3.3Å; R362-G366 PolarHBondContact O-N 2.74Å; R362-G366 VanDerWaalsContact O-N 3.13Å; G366-E368 PolarHBondContact O-N 3.14Å
367	T	85.2	Confident	86.7	Confident	54 Å²	54	83.1 Å²	83.1	33%	0.331	44%	0.435	S	S	.	.			trans	-76	124.3	179.6	-49.7	0	0	0	0	110.4	Y361 R362 Y365 F370	Y361-T367 PolarHBondContact O-N 2.97Å; R362-T367 WeakPolarHBondContact CG-O 3.16Å; Y365-T367 PolarHBondContact O-N 3.22Å; T367-F370 HydrophobicContact CG2-CZ 4.33Å; T367-F370 WeakPolarHBondContact O-CE2 3.4Å; T367-F370 VanDerWaalsContact O-CZ 3.28Å; T367-F370 WeakPolarHBondContact O-CZ 3.17Å
368	E	79.9	Confident	85.7	Confident	161 Å²	161	88.4 Å²	88.4	75%	0.752	47%	0.47	S	S	*	.			trans	-103.8	-24.8	177.5	-62.5	-169.8	164.2	0	0	113.1	G366 F370	G366-E368 PolarHBondContact O-N 3.14Å; E368-F370 VanDerWaalsContact O-CD2 3.3Å; E368-F370 WeakPolarHBondContact O-CD2 3.41Å; E368-F370 PolarHBondContact O-N 3.01Å
369	D	80.2	Confident	85	Confident	137 Å²	137	92.7 Å²	92.7	73%	0.733	50%	0.501	S	S	*	.			trans	-82.1	103.9	-176.6	-67.1	-27.2	0	0	0	111.7
370	F	84	Confident	84.4	Confident	24 Å²	24	94.5 Å²	94.5	11%	0.105	52%	0.515	C	S	.	.			trans	-122.7	41.3	174.7	-58.5	-81.5	0	0	0	112.6	I337 K358 R362 T367 E368 P372	I337-F370 HydrophobicContact CD1-CB 3.86Å; I337-F370 HydrophobicContact CD1-CD1 3.86Å; I337-F370 HydrophobicContact CD1-CG 4.36Å; K358-F370 HydrophobicContact CB-CD1 4.32Å; K358-F370 HydrophobicContact CB-CD2 4.27Å; K358-F370 HydrophobicContact CB-CE1 4.23Å; K358-F370 HydrophobicContact CB-CE2 4.17Å; K358-F370 HydrophobicContact CB-CG 4.34Å; K358-F370 HydrophobicContact CB-CZ 4.15Å; K358-F370 HydrophobicContact CD-CB 4.12Å; K358-F370 HydrophobicContact CD-CD1 4.5Å; K358-F370 HydrophobicContact CD-CG 4.17Å; K358-F370 HydrophobicContact CG-CB 4.27Å; K358-F370 HydrophobicContact CG-CD1 3.74Å; K358-F370 HydrophobicContact CG-CD2 4.21Å; K358-F370 HydrophobicContact CG-CE1 4.08Å; K358-F370 HydrophobicContact CG-CG 3.81Å; K358-F370 HydrophobicContact CG-CZ 4.46Å; K358-F370 WeakPolarHBondContact O-CZ 3.15Å; R362-F370 HydrophobicContact CG-CE2 3.76Å; R362-F370 HydrophobicContact CG-CZ 4.13Å; T367-F370 HydrophobicContact CG2-CZ 4.33Å; T367-F370 WeakPolarHBondContact O-CE2 3.4Å; T367-F370 VanDerWaalsContact O-CZ 3.28Å; T367-F370 WeakPolarHBondContact O-CZ 3.17Å; E368-F370 VanDerWaalsContact O-CD2 3.3Å; E368-F370 WeakPolarHBondContact O-CD2 3.41Å; E368-F370 PolarHBondContact O-N 3.01Å; F370-P372 WeakPolarHBondContact O-CD 3.25Å
371	T	86.1	Confident	83.8	Confident	109 Å²	109	98.4 Å²	98.4	67%	0.669	55%	0.546	S	S	*	.			trans	-68	118	179.8	44.5	0	0	0	0	110.4	I337	I337-T371 WeakPolarHBondContact CG2-O 3.33Å
372	P	86.9	Confident	83.1	Confident	75 Å²	75	106.8 Å²	106.8	49%	0.487	58%	0.582	S	S	.	*			trans	-71.1	137.8	-176.8	27.4	-33.3	0	0	0	111.1	T351 D352 F370 Q374	T351-P372 WeakPolarHBondContact O-CA 3.25Å; D352-P372 HydrophobicContact CB-CB 4.13Å; F370-P372 WeakPolarHBondContact O-CD 3.25Å; P372-Q374 PolarHBondContact O-N 3.17Å
373	V	85.5	Confident	82.5	Confident	53 Å²	53	106.2 Å²	106.2	32%	0.321	59%	0.594	S	S	.	*			trans	-76	112.3	178.1	-175.9	0	0	0	0	109.8	I337 L349 T351 H375	I337-V373 HydrophobicContact CG2-CG2 4.06Å; L349-V373 HydrophobicContact CD2-CG1 4.33Å; T351-V373 HydrophobicContact CG2-CB 4.45Å; T351-V373 PolarHBondContact O-N 3.44Å; V373-H375 PolarHBondContact O-N 3.44Å; V373-H375 PolarHBondContact O-ND1 3.04Å
374	Q	80.6	Confident	81.8	Confident	175 Å²	175	102.4 Å²	102.4	82%	0.818	59%	0.589	S	S	*	*			trans	-71.3	113.5	175.9	-64.9	-112.9	1.2	0	0	109.8	P372	P372-Q374 PolarHBondContact O-N 3.17Å
375	H	74.3	Confident	81.1	Confident	64 Å²	64	109.5 Å²	109.5	30%	0.296	61%	0.613	S	S	.	*			trans	-117.2	-13.2	178.8	58.5	-81.1	0	0	0	113.3	L234 V373	L234-H375 HydrophobicContact CD2-CB 3.69Å; V373-H375 PolarHBondContact O-N 3.44Å; V373-H375 PolarHBondContact O-ND1 3.04Å
376	K	75.4	Confident	80.6	Confident	121 Å²	121	113 Å²	113	53%	0.526	64%	0.637	S	S	.	*	S	Bend	trans	-98.3	125	176.3	-64.8	-178.8	-177.6	176.6	0	109.8	E247	E247-K376 WeakPolarHBondContact OE1-CE 2.93Å; E247-K376 IonicContact OE1-NZ 3.92Å; E247-K376 PolarHBondContact OE1-NZ 3.37Å; E247-K376 IonicContact OE2-NZ 3.91Å
377	A	75.5	Confident	80.2	Confident	88 Å²	88	113.5 Å²	113.5	73%	0.727	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-63.8	138.9	166.5	0	0	0	0	0	109.4
378	P	74.4	Confident	80.1	Confident	112 Å²	112	114.8 Å²	114.8	73%	0.727	64%	0.638	S	S	*	*	P	Polyproline II helix	trans	-58.8	142.4	173.1	24.5	-32.2	0	0	0	109.5	A380	P378-A380 PolarHBondContact O-N 3.29Å
379	P	78.8	Confident	80.3	Confident	122 Å²	122	111.7 Å²	111.7	79%	0.792	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-58.3	133.3	179.2	24.6	-33.1	0	0	0	109.3
380	A	79.5	Confident	80.3	Confident	88 Å²	88	109.4 Å²	109.4	73%	0.727	61%	0.614	S	S	*	*	P	Polyproline II helix	trans	-54.2	132.6	177.9	0	0	0	0	0	109.6	P378 K382	P378-A380 PolarHBondContact O-N 3.29Å; A380-K382 PolarHBondContact O-N 3.29Å
381	P	81.4	Confident	80.3	Confident	122 Å²	122	113.2 Å²	113.2	79%	0.792	64%	0.635	S	S	*	*	P	Polyproline II helix	trans	-58.4	129.6	177.3	23.9	-32.2	0	0	0	108.5
382	K	78.9	Confident	80.1	Confident	191 Å²	191	110.7 Å²	110.7	83%	0.83	63%	0.631	S	S	*	*	P	Polyproline II helix	trans	-58.2	136.3	174.3	-66.9	178	-178.8	175.3	0	108	A380	A380-K382 PolarHBondContact O-N 3.29Å
383	P	81.6	Confident	79.8	Confident	111 Å²	111	114.6 Å²	114.6	72%	0.721	64%	0.64	S	S	*	*	P	Polyproline II helix	trans	-56	133.6	178.3	22.5	-32.6	0	0	0	109.5	R385	P383-R385 PolarHBondContact O-N 3.08Å
384	P	78.1	Confident	79.7	Confident	112 Å²	112	115.2 Å²	115.2	73%	0.727	66%	0.657	S	S	*	*	P	Polyproline II helix	trans	-63.6	128	-177.5	25.9	-33.3	0	0	0	109.4	L386	P384-L386 PolarHBondContact O-N 3.13Å
385	R	76.6	Confident	79.7	Confident	246 Å²	246	109.1 Å²	109.1	93%	0.928	63%	0.634	S	S	*	*			trans	-80.3	105	172.1	-65.7	-178.5	-178.7	178.4	-1.5	108.1	P383	P383-R385 PolarHBondContact O-N 3.08Å
386	L	81.3	Confident	80	Confident	155 Å²	155	107.4 Å²	107.4	81%	0.812	63%	0.626	S	S	*	*	P	Polyproline II helix	trans	-74.3	135.8	174.5	-59.6	176.7	0	0	0	109.6	P384	P384-L386 PolarHBondContact O-N 3.13Å
387	V	80.9	Confident	80.3	Confident	64 Å²	64	105 Å²	105	39%	0.388	62%	0.617	S	S	.	*	P	Polyproline II helix	trans	-78.9	134.8	174.7	-177.9	0	0	0	0	108.5	L400 C403	V387-L400 HydrophobicContact CG1-CD1 3.8Å; V387-C403 HydrophobicContact CG1-CB 4.1Å
388	P	83	Confident	80.8	Confident	80 Å²	80	104.1 Å²	104.1	52%	0.519	60%	0.6	S	S	.	*	P	Polyproline II helix	trans	-63.9	156.6	176.5	27.7	-35.6	0	0	0	111.8
389	P	82.6	Confident	81.3	Confident	96 Å²	96	99.6 Å²	99.6	62%	0.623	57%	0.571	S	S	*	*	P	Polyproline II helix	trans	-62.4	148.5	176.3	27.5	-34.4	0	0	0	111.3	N391	P389-N391 PolarHBondContact O-N 2.98Å
390	Y	81.9	Confident	81.5	Confident	89 Å²	89	96.4 Å²	96.4	35%	0.349	55%	0.547	S	S	.	.	P	Polyproline II helix	trans	-62.9	131.8	178.9	174.9	-116.6	0	0	0	111.5	G392 F393 G394 E396 S399	Y390-G392 PolarHBondContact O-N 3.25Å; Y390-F393 WeakPolarHBondContact CE2-O 3.41Å; Y390-F393 PolarHBondContact OH-N 3.44Å; Y390-F393 PolarHBondContact OH-O 3.36Å; Y390-G394 PolarHBondContact OH-O 3.2Å; Y390-E396 HydrophobicContact CD1-CG 3.82Å; Y390-E396 HydrophobicContact CD2-CG 4.04Å; Y390-E396 HydrophobicContact CE1-CG 3.9Å; Y390-E396 HydrophobicContact CE2-CG 4.14Å; Y390-E396 HydrophobicContact CG-CG 3.88Å; Y390-S399 WeakPolarHBondContact CE2-OG 3.49Å
391	N	83.3	Confident	81.7	Confident	105 Å²	105	93 Å²	93	56%	0.561	52%	0.52	S	S	*	.			trans	-84	-2.5	-171.9	66	-1.3	0	0	0	114.7	P389 F393	P389-N391 PolarHBondContact O-N 2.98Å; N391-F393 PolarHBondContact OD1-N 3.34Å; N391-F393 VanDerWaalsContact OD1-N 3.08Å
392	G	81.6	Confident	81.9	Confident	55 Å²	55	91.6 Å²	91.6	57%	0.567	51%	0.506	S	S	*	.	S	Bend	trans	86.8	-1.8	179.6	0	0	0	0	0	115.8	Y390	Y390-G392 PolarHBondContact O-N 3.25Å
393	F	80.8	Confident	82.1	Confident	158 Å²	158	85.5 Å²	85.5	69%	0.693	49%	0.487	S	S	*	.	S	Bend	trans	-106	146.6	179.2	-68.4	-81.9	0	0	0	111.7	Y390 N391 S399	Y390-F393 WeakPolarHBondContact CE2-O 3.41Å; Y390-F393 PolarHBondContact OH-N 3.44Å; Y390-F393 PolarHBondContact OH-O 3.36Å; N391-F393 PolarHBondContact OD1-N 3.34Å; N391-F393 VanDerWaalsContact OD1-N 3.08Å; F393-S399 PolarHBondContact O-OG 3.46Å; F393-S399 VanDerWaalsContact O-OG 3.1Å
394	G	83.3	Confident	82.1	Confident	66 Å²	66	86.9 Å²	86.9	68%	0.68	48%	0.483	S	S	*	.	S	Bend	trans	67.6	-152.1	-179.8	0	0	0	0	0	113.5	Y390	Y390-G394 PolarHBondContact OH-O 3.2Å
395	S	80.8	Confident	82.3	Confident	47 Å²	47	83.1 Å²	83.1	33%	0.329	47%	0.465	S	S	.	.			trans	-98.8	157.4	168.8	95.3	0	0	0	0	110.5	E397 D398 S399	S395-E397 VanDerWaalsContact C-N 3.27Å; S395-E397 VanDerWaalsContact CB-OE2 3.29Å; S395-E397 WeakPolarHBondContact CB-OE2 3.45Å; S395-E397 PolarHBondContact O-N 3.46Å; S395-E397 PolarHBondContact OG-N 3.46Å; S395-E397 PolarHBondContact OG-OE2 3.31Å; S395-D398 PolarHBondContact O-N 3.08Å; S395-D398 WeakPolarHBondContact OG-CB 3.31Å; S395-D398 PolarHBondContact OG-N 3.32Å; S395-D398 VanDerWaalsContact OG-N 3.16Å; S395-S399 WeakPolarHBondContact O-CB 3.47Å; S395-S399 PolarHBondContact O-N 3.33Å; S395-S399 PolarHBondContact O-OG 3.02Å
396	E	80.1	Confident	82.7	Confident	27 Å²	27	79.8 Å²	79.8	13%	0.126	46%	0.464	C	S	.	.	H	α-helix	trans	-63.7	-37.7	178.8	-72.8	173.3	-153.2	0	0	111.1	Y390 L400 K484 S496	Y390-E396 HydrophobicContact CD1-CG 3.82Å; Y390-E396 HydrophobicContact CD2-CG 4.04Å; Y390-E396 HydrophobicContact CE1-CG 3.9Å; Y390-E396 HydrophobicContact CE2-CG 4.14Å; Y390-E396 HydrophobicContact CG-CG 3.88Å; E396-L400 WeakPolarHBondContact O-CB 3.37Å; E396-L400 PolarHBondContact O-N 3.43Å; E396-K484 IonicContact OE1-NZ 3.43Å; E396-K484 PolarHBondContact OE1-NZ 3.23Å; E396-S496 VanDerWaalsContact OE1-CB 3.28Å; E396-S496 WeakPolarHBondContact OE1-CB 3.4Å; E396-S496 PolarHBondContact OE1-OG 3.33Å; E396-S496 VanDerWaalsContact OE2-CB 3.23Å; E396-S496 WeakPolarHBondContact OE2-CB 3.36Å; E396-S496 PolarHBondContact OE2-N 2.84Å; E396-S496 PolarHBondContact OE2-OG 3.49Å
397	E	82.2	Confident	83	Confident	71 Å²	71	80 Å²	80	33%	0.332	46%	0.463	S	S	.	.	H	α-helix	trans	-67.3	-39.6	177.7	-51.9	84.6	175.1	0	0	111.8	S395 L400 G401 V411	S395-E397 VanDerWaalsContact C-N 3.27Å; S395-E397 VanDerWaalsContact CB-OE2 3.29Å; S395-E397 WeakPolarHBondContact CB-OE2 3.45Å; S395-E397 PolarHBondContact O-N 3.46Å; S395-E397 PolarHBondContact OG-N 3.46Å; S395-E397 PolarHBondContact OG-OE2 3.31Å; E397-L400 WeakPolarHBondContact O-CB 3.31Å; E397-G401 PolarHBondContact O-N 3.41Å; E397-V411 HydrophobicContact CB-CG1 4.02Å; E397-V411 WeakPolarHBondContact O-CG1 3.46Å
398	D	84.9	Confident	83.1	Confident	70 Å²	70	80.8 Å²	80.8	37%	0.374	47%	0.469	S	S	.	.	H	α-helix	trans	-70.5	-42.6	179.6	-169.2	48.1	0	0	0	111.5	S395 L400 G401 V411	S395-D398 PolarHBondContact O-N 3.08Å; S395-D398 WeakPolarHBondContact OG-CB 3.31Å; S395-D398 PolarHBondContact OG-N 3.32Å; S395-D398 VanDerWaalsContact OG-N 3.16Å; D398-L400 VanDerWaalsContact C-N 3.33Å; D398-L400 PolarHBondContact O-N 3.41Å; D398-G401 WeakPolarHBondContact O-CA 3.45Å; D398-G401 PolarHBondContact O-N 2.78Å; D398-G401 VanDerWaalsContact O-N 3.09Å; D398-V411 HydrophobicContact CB-CG1 4.47Å
399	S	85.5	Confident	83.1	Confident	16 Å²	16	85.1 Å²	85.1	11%	0.112	48%	0.48	C	S	.	.	H	α-helix	trans	-67.7	-31.5	176.2	-67.7	0	0	0	0	113.3	Y390 F393 S395 G401 N402	Y390-S399 WeakPolarHBondContact CE2-OG 3.49Å; F393-S399 PolarHBondContact O-OG 3.46Å; F393-S399 VanDerWaalsContact O-OG 3.1Å; S395-S399 WeakPolarHBondContact O-CB 3.47Å; S395-S399 PolarHBondContact O-N 3.33Å; S395-S399 PolarHBondContact O-OG 3.02Å; S399-G401 VanDerWaalsContact C-N 3.26Å; S399-G401 PolarHBondContact O-N 3.09Å; S399-N402 WeakPolarHBondContact O-CB 3.5Å; S399-N402 PolarHBondContact O-N 3.13Å
400	L	83.9	Confident	83.2	Confident	56 Å²	56	86.2 Å²	86.2	29%	0.293	49%	0.487	S	S	.	.	H	α-helix	trans	-61.6	-38.1	171.2	-164.5	87.2	0	0	0	111	V387 E396 E397 D398 N402 C403 H404	V387-L400 HydrophobicContact CG1-CD1 3.8Å; E396-L400 WeakPolarHBondContact O-CB 3.37Å; E396-L400 PolarHBondContact O-N 3.43Å; E397-L400 WeakPolarHBondContact O-CB 3.31Å; D398-L400 VanDerWaalsContact C-N 3.33Å; D398-L400 PolarHBondContact O-N 3.41Å; L400-N402 VanDerWaalsContact C-N 3.28Å; L400-N402 PolarHBondContact O-N 2.83Å; L400-C403 WeakPolarHBondContact O-CB 3.23Å; L400-C403 PolarHBondContact O-N 3.1Å; L400-H404 VanDerWaalsContact CD2-NE2 3.31Å; L400-H404 WeakPolarHBondContact CD2-NE2 3.39Å; L400-H404 WeakPolarHBondContact CG-NE2 3.16Å; L400-H404 PolarHBondContact O-CD2 2.7Å; L400-H404 PolarHBondContact O-N 2.76Å
401	G	82.9	Confident	83.2	Confident	15 Å²	15	85.3 Å²	85.3	16%	0.155	49%	0.491	C	S	.	.	H	α-helix	trans	-55.3	-40.7	175.9	0	0	0	0	0	113.2	E397 D398 S399 C403 H404	E397-G401 PolarHBondContact O-N 3.41Å; D398-G401 WeakPolarHBondContact O-CA 3.45Å; D398-G401 PolarHBondContact O-N 2.78Å; D398-G401 VanDerWaalsContact O-N 3.09Å; S399-G401 VanDerWaalsContact C-N 3.26Å; S399-G401 PolarHBondContact O-N 3.09Å; G401-C403 VanDerWaalsContact C-N 3.25Å; G401-C403 PolarHBondContact O-N 3.38Å; G401-H404 PolarHBondContact O-N 3.22Å
402	N	85.8	Confident	83.1	Confident	93 Å²	93	87.6 Å²	87.6	50%	0.497	50%	0.498	S	S	.	.	H	α-helix	trans	-63.3	-29.7	175.4	-69.4	-30.8	0	0	0	113	S399 L400 P408	S399-N402 WeakPolarHBondContact O-CB 3.5Å; S399-N402 PolarHBondContact O-N 3.13Å; L400-N402 VanDerWaalsContact C-N 3.28Å; L400-N402 PolarHBondContact O-N 2.83Å; N402-P408 VanDerWaalsContact OD1-CB 3.31Å; N402-P408 WeakPolarHBondContact OD1-CB 3.37Å
403	C	82.9	Confident	83	Confident	64 Å²	64	92.4 Å²	92.4	43%	0.432	50%	0.503	S	S	.	.	H	α-helix	trans	-80.6	-20.7	179	-59.2	0	0	0	0	112.5	V387 L400 G401	V387-C403 HydrophobicContact CG1-CB 4.1Å; L400-C403 WeakPolarHBondContact O-CB 3.23Å; L400-C403 PolarHBondContact O-N 3.1Å; G401-C403 VanDerWaalsContact C-N 3.25Å; G401-C403 PolarHBondContact O-N 3.38Å
404	H	82.3	Confident	83	Confident	140 Å²	140	90.4 Å²	90.4	65%	0.648	50%	0.5	S	S	*	.	H	α-helix	trans	-83.4	-28.1	-178.6	-75.3	-59	0	0	0	113.9	L400 G401	L400-H404 VanDerWaalsContact CD2-NE2 3.31Å; L400-H404 WeakPolarHBondContact CD2-NE2 3.39Å; L400-H404 WeakPolarHBondContact CG-NE2 3.16Å; L400-H404 PolarHBondContact O-CD2 2.7Å; L400-H404 PolarHBondContact O-N 2.76Å; G401-H404 PolarHBondContact O-N 3.22Å
405	G	81.1	Confident	82.9	Confident	33 Å²	33	92.7 Å²	92.7	34%	0.34	49%	0.491	S	S	.	.			trans	-163.4	157.5	-179.1	0	0	0	0	0	113.1	M407	G405-M407 VanDerWaalsContact C-N 3.33Å; G405-M407 PolarHBondContact O-N 2.96Å
406	L	85.9	Confident	83	Confident	176 Å²	176	97.9 Å²	97.9	92%	0.921	51%	0.508	S	S	*	.	S	Bend	trans	-62.5	-39.3	-178.9	-177.7	67.3	0	0	0	112.6	P408	L406-P408 WeakPolarHBondContact O-CD 3.28Å
407	M	87.3	Confident	83.1	Confident	160 Å²	160	98.5 Å²	98.5	79%	0.788	51%	0.51	S	S	*	.	S	Bend	trans	-94.3	111.4	172.6	-67.2	-171.7	74.9	0	0	108.7	G405 K409	G405-M407 VanDerWaalsContact C-N 3.33Å; G405-M407 PolarHBondContact O-N 2.96Å; M407-K409 PolarHBondContact O-N 3.32Å
408	P	83.4	Confident	83.1	Confident	79 Å²	79	98.8 Å²	98.8	51%	0.513	51%	0.51	S	S	.	.	P	Polyproline II helix	trans	-63.9	131.9	179.3	23.2	-30.4	0	0	0	110.3	N402 L406	N402-P408 VanDerWaalsContact OD1-CB 3.31Å; N402-P408 WeakPolarHBondContact OD1-CB 3.37Å; L406-P408 WeakPolarHBondContact O-CD 3.28Å
409	K	82.4	Confident	82.9	Confident	172 Å²	172	102.2 Å²	102.2	75%	0.748	53%	0.526	S	S	*	.	P	Polyproline II helix	trans	-95.8	136.3	171.7	-67.7	-177.1	-178.7	179.1	0	108.6	M407 V411	M407-K409 PolarHBondContact O-N 3.32Å; K409-V411 PolarHBondContact O-N 3.44Å
410	P	84.7	Confident	82.7	Confident	118 Å²	118	107.1 Å²	107.1	77%	0.766	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-60.7	135.8	175.9	25.7	-33.2	0	0	0	109.9	H412	P410-H412 PolarHBondContact O-N 3.16Å
411	V	82.9	Confident	82.4	Confident	70 Å²	70	107.6 Å²	107.6	42%	0.424	55%	0.546	S	S	.	.	P	Polyproline II helix	trans	-62	126.9	178.8	-66.9	0	0	0	0	110.9	E397 D398 K409	E397-V411 HydrophobicContact CB-CG1 4.02Å; E397-V411 WeakPolarHBondContact O-CG1 3.46Å; D398-V411 HydrophobicContact CB-CG1 4.47Å; K409-V411 PolarHBondContact O-N 3.44Å
412	H	80.3	Confident	82.2	Confident	154 Å²	154	109.8 Å²	109.8	71%	0.713	56%	0.555	S	S	*	*	P	Polyproline II helix	trans	-87.9	124.1	176.5	-161.7	73.1	0	0	0	109.5	P410 F415	P410-H412 PolarHBondContact O-N 3.16Å; H412-F415 AromaticContact CD2-CD2 3.77Å; H412-F415 AromaticContact CE1-CD2 3.24Å; H412-F415 WeakPolarHBondContact CE1-CD2 3.29Å; H412-F415 AromaticContact CE1-CE2 3.11Å; H412-F415 WeakPolarHBondContact CE1-CE2 3.14Å; H412-F415 AromaticContact ND1-CD2 3.9Å; H412-F415 AromaticContact ND1-CE2 3.45Å; H412-F415 WeakPolarHBondContact ND1-CE2 3.05Å; H412-F415 AromaticContact NE2-CD2 3.14Å; H412-F415 WeakPolarHBondContact NE2-CD2 3.11Å; H412-F415 AromaticContact NE2-CE2 3.54Å
413	K	80.4	Confident	81.5	Confident	155 Å²	155	108.9 Å²	108.9	67%	0.674	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-75.2	156.7	173.7	-64.8	178.2	-178.5	174.8	0	109.6	F415	K413-F415 VanDerWaalsContact C-N 3.27Å; K413-F415 WeakPolarHBondContact O-CD2 3.45Å; K413-F415 PolarHBondContact O-N 3.49Å
414	D	80.3	Confident	80.6	Confident	117 Å²	117	109.4 Å²	109.4	63%	0.626	56%	0.56	S	S	*	*			trans	-69.4	80.6	175.7	-66.2	-27.3	0	0	0	111.4	K416 K417 F418	D414-K416 PolarHBondContact O-N 3.33Å; D414-K417 HydrophobicContact CB-CB 3.8Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 3.43Å; D414-K417 VanDerWaalsContact O-N 3.08Å; D414-F418 PolarHBondContact O-N 3.26Å
415	F	80.7	Confident	79.8	Confident	114 Å²	114	106.5 Å²	106.5	50%	0.5	57%	0.568	S	S	.	*	H	α-helix	trans	-58.7	-36.3	-178.3	-78.4	-89.2	0	0	0	112.4	H412 K413 K417 F418 M419	H412-F415 AromaticContact CD2-CD2 3.77Å; H412-F415 AromaticContact CE1-CD2 3.24Å; H412-F415 WeakPolarHBondContact CE1-CD2 3.29Å; H412-F415 AromaticContact CE1-CE2 3.11Å; H412-F415 WeakPolarHBondContact CE1-CE2 3.14Å; H412-F415 AromaticContact ND1-CD2 3.9Å; H412-F415 AromaticContact ND1-CE2 3.45Å; H412-F415 WeakPolarHBondContact ND1-CE2 3.05Å; H412-F415 AromaticContact NE2-CD2 3.14Å; H412-F415 WeakPolarHBondContact NE2-CD2 3.11Å; H412-F415 AromaticContact NE2-CE2 3.54Å; K413-F415 VanDerWaalsContact C-N 3.27Å; K413-F415 WeakPolarHBondContact O-CD2 3.45Å; K413-F415 PolarHBondContact O-N 3.49Å; F415-K417 VanDerWaalsContact C-N 3.34Å; F415-K417 PolarHBondContact O-N 3.23Å; F415-F418 WeakPolarHBondContact O-CB 3.46Å; F415-F418 PolarHBondContact O-N 2.77Å; F415-M419 VanDerWaalsContact O-CG 3.3Å; F415-M419 WeakPolarHBondContact O-CG 3.42Å; F415-M419 PolarHBondContact O-N 2.61Å
416	K	83.5	Confident	79	Confident	156 Å²	156	113.2 Å²	113.2	68%	0.678	60%	0.595	S	S	*	*	H	α-helix	trans	-59	-45.9	175.6	-175.4	174.9	-179.8	177.5	0	111.7	D414 M419 E420	D414-K416 PolarHBondContact O-N 3.33Å; K416-M419 PolarHBondContact O-N 2.84Å; K416-E420 WeakPolarHBondContact CE-OE1 3.39Å; K416-E420 WeakPolarHBondContact CG-OE1 3.24Å; K416-E420 WeakPolarHBondContact O-CG 3.06Å; K416-E420 PolarHBondContact O-N 3.14Å; K416-E420 VanDerWaalsContact O-N 3.07Å
417	K	82.8	Confident	77.7	Confident	40 Å²	40	109.1 Å²	109.1	17%	0.174	57%	0.574	C	S	.	*	H	α-helix	trans	-66.5	-39.7	177.9	-179.2	-179.6	170.9	176.8	0	111.5	D414 F415 K421 L455 D458	D414-K417 HydrophobicContact CB-CB 3.8Å; D414-K417 WeakPolarHBondContact O-CB 3.44Å; D414-K417 PolarHBondContact O-N 3.43Å; D414-K417 VanDerWaalsContact O-N 3.08Å; F415-K417 VanDerWaalsContact C-N 3.34Å; F415-K417 PolarHBondContact O-N 3.23Å; K417-K421 HydrophobicContact CG-CD 3.88Å; K417-K421 VanDerWaalsContact O-CB 3.28Å; K417-K421 WeakPolarHBondContact O-CB 3.39Å; K417-K421 PolarHBondContact O-N 2.67Å; K417-K421 VanDerWaalsContact O-N 3.09Å; K417-L455 WeakPolarHBondContact CE-O 3.47Å; K417-D458 VanDerWaalsContact CE-OD1 3.31Å; K417-D458 WeakPolarHBondContact CE-OD1 3.43Å; K417-D458 IonicContact NZ-OD1 3.2Å; K417-D458 PolarHBondContact NZ-OD1 2.96Å; K417-D458 IonicContact NZ-OD2 3.39Å; K417-D458 PolarHBondContact NZ-OD2 3.4Å
418	F	81.8	Confident	76.7	Confident	76 Å²	76	103.5 Å²	103.5	33%	0.333	55%	0.551	S	S	.	*	H	α-helix	trans	-57.9	-57.3	173.8	179.9	-95	0	0	0	109.9	D414 F415 E420 K421 D422	D414-F418 PolarHBondContact O-N 3.26Å; F415-F418 WeakPolarHBondContact O-CB 3.46Å; F415-F418 PolarHBondContact O-N 2.77Å; F418-E420 PolarHBondContact O-N 2.78Å; F418-K421 CarbonylContact O-C 3.55Å; F418-K421 PolarHBondContact O-N 3.28Å; F418-D422 WeakPolarHBondContact O-CB 3.48Å; F418-D422 PolarHBondContact O-N 3.37Å
419	M	81.3	Confident	76.2	Confident	142 Å²	142	101 Å²	101	70%	0.7	53%	0.533	S	S	*	.	H	α-helix	trans	-58.6	-43	-177.4	-67.8	-60.6	-67.4	0	0	113.9	F415 K416	F415-M419 VanDerWaalsContact O-CG 3.3Å; F415-M419 WeakPolarHBondContact O-CG 3.42Å; F415-M419 PolarHBondContact O-N 2.61Å; K416-M419 PolarHBondContact O-N 2.84Å
420	E	80.8	Confident	76	Confident	120 Å²	120	94.4 Å²	94.4	56%	0.561	51%	0.507	S	S	*	.	H	α-helix	trans	-71.5	-35.3	-179.1	-72.2	173.8	-173.1	0	0	113.3	K416 F418 N429	K416-E420 WeakPolarHBondContact CE-OE1 3.39Å; K416-E420 WeakPolarHBondContact CG-OE1 3.24Å; K416-E420 WeakPolarHBondContact O-CG 3.06Å; K416-E420 PolarHBondContact O-N 3.14Å; K416-E420 VanDerWaalsContact O-N 3.07Å; F418-E420 PolarHBondContact O-N 2.78Å; E420-N429 PolarHBondContact O-ND2 2.87Å
421	K	77.3	Confident	75.6	Confident	65 Å²	65	89.3 Å²	89.3	28%	0.283	47%	0.473	S	S	.	.	H	α-helix	trans	-108.5	9.7	-171.9	-59.5	177.4	-174.2	164.5	0	112.9	K417 F418 N429 L455	K417-K421 HydrophobicContact CG-CD 3.88Å; K417-K421 VanDerWaalsContact O-CB 3.28Å; K417-K421 WeakPolarHBondContact O-CB 3.39Å; K417-K421 PolarHBondContact O-N 2.67Å; K417-K421 VanDerWaalsContact O-N 3.09Å; F418-K421 CarbonylContact O-C 3.55Å; F418-K421 PolarHBondContact O-N 3.28Å; K421-N429 WeakPolarHBondContact O-CB 3.3Å; K421-L455 HydrophobicContact CB-CB 3.97Å; K421-L455 HydrophobicContact CD-CB 4.16Å; K421-L455 VanDerWaalsContact CD-O 3.22Å; K421-L455 WeakPolarHBondContact CD-O 3.45Å
422	D	78.6	Confident	75.4	Confident	62 Å²	62	91.3 Å²	91.3	33%	0.332	47%	0.473	S	S	.	.	S	Bend	trans	-78.9	174.8	168	-162.1	18.8	0	0	0	110.8	F418 S424 N429	F418-D422 WeakPolarHBondContact O-CB 3.48Å; F418-D422 PolarHBondContact O-N 3.37Å; D422-S424 PolarHBondContact O-N 3.2Å; D422-N429 PolarHBondContact O-ND2 3.29Å
423	S	71.8	Confident	75.1	Confident	74 Å²	74	84.1 Å²	84.1	52%	0.517	44%	0.44	S	S	.	.			trans	-68	121.9	177.5	47.8	0	0	0	0	112.1
424	S	62.5	Low	75	Confident	75 Å²	75	81.9 Å²	81.9	52%	0.524	43%	0.43	S	S	.	.	B	Isolated β-bridge	trans	-109.3	109.2	170	56.2	0	0	0	0	110.7	D422 L426 N427	D422-S424 PolarHBondContact O-N 3.2Å; S424-L426 PolarHBondContact O-N 2.92Å; S424-N427 PolarHBondContact N-O 2.99Å; S424-N427 WeakPolarHBondContact O-CB 3.31Å; S424-N427 PolarHBondContact O-N 2.93Å
425	G	66.8	Low	74.8	Confident	79 Å²	79	76.3 Å²	76.3	81%	0.814	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	58.2	-128.1	-177.8	0	0	0	0	0	112.6	N427	G425-N427 VanDerWaalsContact C-N 3.28Å; G425-N427 PolarHBondContact O-N 2.93Å
426	L	62.8	Low	74.7	Confident	173 Å²	173	77.2 Å²	77.2	91%	0.906	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.9	-10.7	175.1	-95.3	81.7	0	0	0	114.1	S424 S428	S424-L426 PolarHBondContact O-N 2.92Å; L426-S428 PolarHBondContact O-N 3.25Å
427	N	59.3	Low	74.4	Confident	91 Å²	91	70.3 Å²	70.3	49%	0.487	37%	0.371	S	S	.	.	B	Isolated β-bridge	trans	-91.1	85.7	-173.7	-72.5	-35	0	0	0	111.7	S424 G425 N429	S424-N427 PolarHBondContact N-O 2.99Å; S424-N427 WeakPolarHBondContact O-CB 3.31Å; S424-N427 PolarHBondContact O-N 2.93Å; G425-N427 VanDerWaalsContact C-N 3.28Å; G425-N427 PolarHBondContact O-N 2.93Å; N427-N429 PolarHBondContact O-N 3.44Å
428	S	66.4	Low	73.8	Confident	42 Å²	42	73 Å²	73	29%	0.294	39%	0.385	S	S	.	.			trans	-65.8	127.3	171.4	60.1	0	0	0	0	112	L426 V430 K529	L426-S428 PolarHBondContact O-N 3.25Å; S428-V430 PolarHBondContact O-N 2.66Å; S428-K529 PolarHBondContact O-NZ 3.08Å
429	N	73	Confident	73.6	Confident	27 Å²	27	71.1 Å²	71.1	14%	0.144	38%	0.38	C	S	.	.			trans	-88.2	42	175.3	-83.6	-33.8	0	0	0	111.8	E420 K421 D422 N427 L455 K529	E420-N429 PolarHBondContact O-ND2 2.87Å; K421-N429 WeakPolarHBondContact O-CB 3.3Å; D422-N429 PolarHBondContact O-ND2 3.29Å; N427-N429 PolarHBondContact O-N 3.44Å; N429-L455 HydrophobicContact CB-CD1 4.45Å; N429-L455 WeakPolarHBondContact O-CB 3.36Å; N429-L455 WeakPolarHBondContact O-CD1 3.37Å; N429-L455 WeakPolarHBondContact O-CG 3.38Å; N429-K529 WeakPolarHBondContact OD1-CE 3.25Å; N429-K529 PolarHBondContact OD1-NZ 2.95Å
430	V	78	Confident	73.4	Confident	33 Å²	33	70 Å²	70	20%	0.2	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	130	179.9	-176.1	0	0	0	0	109.6	S428 R432 Y453 F454	S428-V430 PolarHBondContact O-N 2.66Å; V430-R432 HydrophobicContact CG1-CG 4.32Å; V430-Y453 WeakPolarHBondContact CG1-O 3.38Å; V430-F454 HydrophobicContact CG1-CD1 4.13Å; V430-F454 HydrophobicContact CG1-CE1 4.12Å; V430-F454 HydrophobicContact CG2-CD1 3.79Å; V430-F454 HydrophobicContact CG2-CE1 4.05Å
431	L	75.7	Confident	73.3	Confident	10 Å²	10	68 Å²	68	5%	0.052	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.9	117.4	176.6	-52.9	-174.5	0	0	0	109.4	F433 T452 Y453 L455 K526	L431-F433 HydrophobicContact CB-CE2 3.74Å; L431-F433 HydrophobicContact CB-CZ 4.12Å; L431-T452 CarbonylContact O-C 3.6Å; L431-T452 WeakPolarHBondContact O-CA 3.42Å; L431-Y453 HydrophobicContact CD1-CD1 4.13Å; L431-Y453 HydrophobicContact CG-CD1 4.46Å; L431-Y453 PolarHBondContact N-O 3.03Å; L431-Y453 PolarHBondContact O-N 3.3Å; L431-L455 HydrophobicContact CD1-CD2 4.15Å; L431-L455 HydrophobicContact CD2-CD1 4.18Å; L431-L455 HydrophobicContact CG-CD1 4.16Å; L431-L455 HydrophobicContact CG-CD2 4.37Å; L431-L455 HydrophobicContact CG-CG 4.22Å; L431-K526 HydrophobicContact CD2-CB 4.05Å; L431-K526 HydrophobicContact CD2-CG 3.97Å
432	R	78.7	Confident	73.1	Confident	113 Å²	113	70.1 Å²	70.1	43%	0.426	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	137.6	178.4	-50.1	-168.1	-178.1	166.9	-0.9	111.3	V430 L450 I451 T452 N523	V430-R432 HydrophobicContact CG1-CG 4.32Å; R432-L450 HydrophobicContact CB-CD1 4.09Å; R432-I451 CarbonylContact C-O 3.45Å; R432-I451 WeakPolarHBondContact CA-O 3.33Å; R432-T452 HydrophobicContact CB-CG2 4.24Å; R432-T452 HydrophobicContact CG-CG2 3.76Å; R432-N523 HydrophobicContact CB-CB 4.42Å; R432-N523 PolarHBondContact O-N 3.05Å
433	F	74.7	Confident	73	Confident	2 Å²	2	71.6 Å²	71.6	1%	0.009	41%	0.406	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	137.1	-174.7	-63	-81	0	0	0	110.6	L431 L450 I451 W509 K519 A522 K526	L431-F433 HydrophobicContact CB-CE2 3.74Å; L431-F433 HydrophobicContact CB-CZ 4.12Å; F433-L450 CarbonylContact O-C 3.5Å; F433-L450 VanDerWaalsContact O-CA 3.3Å; F433-L450 WeakPolarHBondContact O-CA 3.37Å; F433-I451 HydrophobicContact CB-CB 4.41Å; F433-I451 PolarHBondContact N-O 3.45Å; F433-I451 PolarHBondContact O-N 3.27Å; F433-W509 HydrophobicContact CB-CH2 3.23Å; F433-W509 HydrophobicContact CB-CZ2 4.02Å; F433-W509 HydrophobicContact CB-CZ3 3.97Å; F433-W509 HydrophobicContact CD1-CH2 4.11Å; F433-W509 HydrophobicContact CD1-CZ2 4.05Å; F433-W509 AromaticContact CD2-CH2 3.49Å; F433-W509 HydrophobicContact CD2-CH2 3.49Å; F433-W509 VanDerWaalsContact CD2-CH2 3.49Å; F433-W509 AromaticContact CD2-CZ2 3.77Å; F433-W509 HydrophobicContact CD2-CZ2 3.77Å; F433-W509 HydrophobicContact CE1-CZ2 4.42Å; F433-W509 HydrophobicContact CE2-CH2 4.31Å; F433-W509 HydrophobicContact CE2-CZ2 4.18Å; F433-W509 AromaticContact CG-CH2 3.35Å; F433-W509 HydrophobicContact CG-CH2 3.35Å; F433-W509 AromaticContact CG-CZ2 3.69Å; F433-W509 HydrophobicContact CG-CZ2 3.69Å; F433-W509 HydrophobicContact CG-CZ3 4.49Å; F433-W509 HydrophobicContact CZ-CZ2 4.48Å; F433-K519 HydrophobicContact CD1-CD 4.44Å; F433-A522 HydrophobicContact CD1-CB 4.13Å; F433-A522 HydrophobicContact CE1-CB 4.24Å; F433-K526 HydrophobicContact CD1-CD 4.4Å; F433-K526 HydrophobicContact CE1-CD 3.39Å; F433-K526 HydrophobicContact CZ-CD 3.53Å
434	K	78.3	Confident	73.1	Confident	108 Å²	108	71 Å²	71	47%	0.47	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	126.4	165.6	-67.4	-173.3	176.7	-174.4	0	108.5	F449 L450 C520 S521	K434-F449 CarbonylContact C-O 3.5Å; K434-F449 WeakPolarHBondContact CA-O 3.31Å; K434-L450 HydrophobicContact CG-CD1 4.49Å; K434-C520 PolarHBondContact O-N 3.23Å; K434-S521 PolarHBondContact N-O 3.37Å; K434-S521 PolarHBondContact O-N 2.81Å
435	A	75.7	Confident	73.8	Confident	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.396	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	156.5	178.1	0	0	0	0	0	110.5	F449 I451 W509 F517 K518	A435-F449 PolarHBondContact N-O 2.59Å; A435-F449 PolarHBondContact O-N 3.22Å; A435-I451 HydrophobicContact CB-CD1 4.16Å; A435-I451 HydrophobicContact CB-CG1 4.49Å; A435-W509 HydrophobicContact CB-CE3 3.92Å; A435-W509 HydrophobicContact CB-CZ3 3.73Å; A435-F517 HydrophobicContact CB-CB 4.18Å; A435-K518 CarbonylContact C-O 3.48Å; A435-K518 VanDerWaalsContact CA-O 3.28Å; A435-K518 WeakPolarHBondContact CA-O 3.47Å
436	R	78.4	Confident	74.1	Confident	133 Å²	133	72.4 Å²	72.4	50%	0.502	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.8	144.4	170.7	-73.8	179.5	178.8	177.7	-2	108.3	V448 F517 K518 C520	R436-V448 HydrophobicContact CG-CG2 4.16Å; R436-F517 CarbonylContact O-C 3.56Å; R436-F517 VanDerWaalsContact O-CA 3.31Å; R436-F517 WeakPolarHBondContact O-CA 3.36Å; R436-K518 PolarHBondContact N-O 3.37Å; R436-K518 PolarHBondContact O-N 2.65Å; R436-C520 VanDerWaalsContact CG-SG 3.58Å
437	M	77.1	Confident	75.1	Confident	12 Å²	12	66.1 Å²	66.1	6%	0.059	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.1	133.9	175.5	-162.3	-177.6	-80	0	0	109.5	T439 F449 F477 Q515 E516 F517	M437-T439 VanDerWaalsContact CG-OG1 3.24Å; M437-T439 WeakPolarHBondContact CG-OG1 3.22Å; M437-T439 PolarHBondContact O-N 2.85Å; M437-T439 PolarHBondContact SD-OG1 2.87Å; M437-T439 VanDerWaalsContact SD-OG1 3.34Å; M437-F449 HydrophobicContact CB-CD2 4.47Å; M437-F449 HydrophobicContact CB-CE2 3.82Å; M437-F449 HydrophobicContact CE-CE2 4.25Å; M437-F449 HydrophobicContact CE-CZ 4.01Å; M437-F477 HydrophobicContact CE-CE1 4.02Å; M437-F477 HydrophobicContact CE-CE2 4.1Å; M437-F477 HydrophobicContact CE-CZ 3.48Å; M437-F477 VanDerWaalsContact CE-CZ 3.48Å; M437-Q515 HydrophobicContact CE-CG 4.48Å; M437-E516 CarbonylContact C-O 3.56Å; M437-E516 WeakPolarHBondContact CA-O 3.11Å; M437-E516 WeakPolarHBondContact CG-O 3.37Å; M437-F517 HydrophobicContact CB-CD1 4.02Å; M437-F517 HydrophobicContact CB-CE1 3.98Å; M437-F517 HydrophobicContact CE-CE1 3.58Å; M437-F517 HydrophobicContact CE-CE2 4.36Å; M437-F517 HydrophobicContact CE-CZ 3.44Å; M437-F517 VanDerWaalsContact CE-CZ 3.44Å; M437-F517 HydrophobicContact CG-CD1 4.3Å; M437-F517 HydrophobicContact CG-CE1 4.12Å
438	M	71.8	Confident	76.1	Confident	97 Å²	97	62.9 Å²	62.9	48%	0.478	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.5	92.3	172.7	-67.1	-66.6	-69.3	0	0	107.4	E516 K518	M438-E516 HydrophobicContact CB-CB 4.06Å; M438-E516 PolarHBondContact N-O 3.12Å; M438-K518 HydrophobicContact CG-CB 3.58Å; M438-K518 HydrophobicContact SD-CB 3.54Å; M438-K518 VanDerWaalsContact SD-CB 3.54Å; M438-K518 HydrophobicContact SD-CD 3.74Å; M438-K518 HydrophobicContact SD-CG 4.28Å
439	T	76.5	Confident	77	Confident	35 Å²	35	60.9 Å²	60.9	22%	0.215	31%	0.309	C	S	.	.			trans	-129.7	149.1	179.9	-33.5	0	0	0	0	109.9	M437 D441 H444 R445	M437-T439 VanDerWaalsContact CG-OG1 3.24Å; M437-T439 WeakPolarHBondContact CG-OG1 3.22Å; M437-T439 PolarHBondContact O-N 2.85Å; M437-T439 PolarHBondContact SD-OG1 2.87Å; M437-T439 VanDerWaalsContact SD-OG1 3.34Å; T439-D441 HydrophobicContact CG2-CB 4.05Å; T439-H444 HydrophobicContact CG2-CB 4.44Å; T439-R445 PolarHBondContact O-NE 3.04Å; T439-R445 PolarHBondContact O-NH2 3Å
440	T	77.5	Confident	77.5	Confident	120 Å²	120	61.2 Å²	61.2	74%	0.736	31%	0.311	S	S	*	.	S	Bend	trans	-63.9	-31.6	168.8	44.2	0	0	0	0	111.4	R445	T440-R445 PolarHBondContact O-NH2 3.26Å
441	D	77.8	Confident	77.6	Confident	77 Å²	77	60 Å²	60	41%	0.412	30%	0.303	S	S	.	.			trans	-70.3	126.5	-174.7	-57.6	-19.7	0	0	0	112.7	T439 V443 H444 R445	T439-D441 HydrophobicContact CG2-CB 4.05Å; D441-V443 VanDerWaalsContact C-N 3.29Å; D441-V443 PolarHBondContact O-N 3.01Å; D441-H444 HydrophobicContact CB-CB 4.37Å; D441-H444 PolarHBondContact O-N 3.25Å; D441-H444 IonicContact OD2-CD2 2.79Å; D441-R445 WeakPolarHBondContact O-CB 2.85Å; D441-R445 PolarHBondContact O-N 3.09Å; D441-R445 VanDerWaalsContact O-N 3.1Å
442	P	74.9	Confident	77.9	Confident	109 Å²	109	60.3 Å²	60.3	71%	0.708	31%	0.305	S	S	*	.	H	α-helix	trans	-66.2	-30.7	-174.9	25.5	-33.4	0	0	0	112.7
443	V	75.3	Confident	78	Confident	94 Å²	94	54.9 Å²	54.9	57%	0.57	29%	0.285	S	S	*	.	H	α-helix	trans	-71	-35.9	179.6	-178.9	0	0	0	0	112	D441 R447	D441-V443 VanDerWaalsContact C-N 3.29Å; D441-V443 PolarHBondContact O-N 3.01Å; V443-R447 PolarHBondContact O-NE 3.07Å
444	H	74.3	Confident	78.5	Confident	62 Å²	62	57 Å²	57	29%	0.287	29%	0.294	S	S	.	.	H	α-helix	trans	-84.6	-27.8	-179.3	-68.6	-68.9	0	0	0	112.7	T439 D441 G446 R447	T439-H444 HydrophobicContact CG2-CB 4.44Å; D441-H444 HydrophobicContact CB-CB 4.37Å; D441-H444 PolarHBondContact O-N 3.25Å; D441-H444 IonicContact OD2-CD2 2.79Å; H444-G446 VanDerWaalsContact C-N 3.28Å; H444-G446 PolarHBondContact O-N 3.44Å; H444-R447 PolarHBondContact CE1-NH2 3Å; H444-R447 PolarHBondContact ND1-NE 2.83Å; H444-R447 PolarHBondContact ND1-NH2 3.33Å; H444-R447 WeakPolarHBondContact O-CB 3.44Å; H444-R447 PolarHBondContact O-N 2.87Å
445	R	76.5	Confident	78.6	Confident	146 Å²	146	52.3 Å²	52.3	55%	0.551	27%	0.274	S	S	*	.	H	α-helix	trans	-61.4	-31.7	178.5	-171.9	179	-68.3	170.9	1	113.7	T439 T440 D441	T439-R445 PolarHBondContact O-NE 3.04Å; T439-R445 PolarHBondContact O-NH2 3Å; T440-R445 PolarHBondContact O-NH2 3.26Å; D441-R445 WeakPolarHBondContact O-CB 2.85Å; D441-R445 PolarHBondContact O-N 3.09Å; D441-R445 VanDerWaalsContact O-N 3.1Å
446	G	73.8	Confident	78.8	Confident	37 Å²	37	52.9 Å²	52.9	38%	0.381	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-18.5	179.3	0	0	0	0	0	114.8	H444 Q467	H444-G446 VanDerWaalsContact C-N 3.28Å; H444-G446 PolarHBondContact O-N 3.44Å; G446-Q467 PolarHBondContact O-NE2 3.33Å; G446-Q467 PolarHBondContact O-OE1 2.75Å
447	R	83.4	Confident	78.8	Confident	41 Å²	41	48.5 Å²	48.5	16%	0.155	27%	0.265	C	S	.	.			trans	-73.4	139.7	-172	-61.4	172.6	-174.5	-144.3	5.9	111.7	V443 H444 F449 E464 I472	V443-R447 PolarHBondContact O-NE 3.07Å; H444-R447 PolarHBondContact CE1-NH2 3Å; H444-R447 PolarHBondContact ND1-NE 2.83Å; H444-R447 PolarHBondContact ND1-NH2 3.33Å; H444-R447 WeakPolarHBondContact O-CB 3.44Å; H444-R447 PolarHBondContact O-N 2.87Å; R447-F449 HydrophobicContact CB-CE2 3.65Å; R447-F449 HydrophobicContact CB-CZ 3.77Å; R447-E464 VanDerWaalsContact CD-OE1 3.28Å; R447-E464 WeakPolarHBondContact CD-OE1 3.49Å; R447-E464 IonicContact NE-OE1 2.76Å; R447-E464 IonicContact NH1-OE1 3.66Å; R447-E464 PolarHBondContact NH1-OE1 2.83Å; R447-I472 HydrophobicContact CG-CD1 4.17Å
448	V	80.9	Confident	78.9	Confident	23 Å²	23	49.8 Å²	49.8	14%	0.139	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	125.6	178.9	-179.7	0	0	0	0	109.2	R436 L465 Q467	R436-V448 HydrophobicContact CG-CG2 4.16Å; V448-L465 HydrophobicContact CG1-CD1 3.98Å; V448-L465 WeakPolarHBondContact O-CB 3.47Å; V448-L465 PolarHBondContact O-N 3.01Å; V448-Q467 VanDerWaalsContact CG2-NE2 3.31Å
449	F	84	Confident	79.3	Confident	0 Å²	0	45.5 Å²	45.5	0%	0	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.5	139.7	-179	-57.7	-87.5	0	0	0	110.2	K434 A435 M437 R447 V462 F463 E464 F477 F517	K434-F449 CarbonylContact C-O 3.5Å; K434-F449 WeakPolarHBondContact CA-O 3.31Å; A435-F449 PolarHBondContact N-O 2.59Å; A435-F449 PolarHBondContact O-N 3.22Å; M437-F449 HydrophobicContact CB-CD2 4.47Å; M437-F449 HydrophobicContact CB-CE2 3.82Å; M437-F449 HydrophobicContact CE-CE2 4.25Å; M437-F449 HydrophobicContact CE-CZ 4.01Å; R447-F449 HydrophobicContact CB-CE2 3.65Å; R447-F449 HydrophobicContact CB-CZ 3.77Å; F449-V462 HydrophobicContact CB-CG1 3.98Å; F449-V462 HydrophobicContact CD1-CG1 3.99Å; F449-V462 HydrophobicContact CG-CG1 4.29Å; F449-F463 CarbonylContact C-O 3.57Å; F449-F463 WeakPolarHBondContact CA-O 3.28Å; F449-E464 HydrophobicContact CD1-CB 4.14Å; F449-E464 HydrophobicContact CD1-CG 4.21Å; F449-E464 HydrophobicContact CE1-CB 4.16Å; F449-E464 HydrophobicContact CE1-CG 3.94Å; F449-F477 HydrophobicContact CD1-CB 4.29Å; F449-F477 HydrophobicContact CD1-CD2 4.42Å; F449-F477 HydrophobicContact CD1-CG 4.23Å; F449-F477 HydrophobicContact CE1-CB 4.29Å; F449-F477 AromaticContact CE1-CD2 3.64Å; F449-F477 HydrophobicContact CE1-CD2 3.64Å; F449-F477 HydrophobicContact CE1-CE2 4.08Å; F449-F477 AromaticContact CE1-CG 3.89Å; F449-F477 HydrophobicContact CE1-CG 3.89Å; F449-F477 HydrophobicContact CZ-CD2 4.42Å; F449-F477 HydrophobicContact CZ-CE2 4.44Å; F449-F517 HydrophobicContact CB-CE1 4.3Å; F449-F517 HydrophobicContact CD1-CE1 4.24Å; F449-F517 AromaticContact CD2-CD1 3.91Å; F449-F517 HydrophobicContact CD2-CD1 3.91Å; F449-F517 AromaticContact CD2-CE1 3.5Å; F449-F517 HydrophobicContact CD2-CE1 3.5Å; F449-F517 HydrophobicContact CE1-CE1 4.49Å; F449-F517 HydrophobicContact CE2-CD1 4.44Å; F449-F517 AromaticContact CE2-CE1 3.8Å; F449-F517 HydrophobicContact CE2-CE1 3.8Å; F449-F517 HydrophobicContact CG-CD1 4.32Å; F449-F517 AromaticContact CG-CE1 3.74Å; F449-F517 HydrophobicContact CG-CE1 3.74Å; F449-F517 HydrophobicContact CZ-CE1 4.28Å
450	L	83.6	Confident	79.6	Confident	34 Å²	34	44.3 Å²	44.3	18%	0.178	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.8	108.6	167.7	-175.4	71.7	0	0	0	108.7	R432 F433 K434 T452 F463 L465	R432-L450 HydrophobicContact CB-CD1 4.09Å; F433-L450 CarbonylContact O-C 3.5Å; F433-L450 VanDerWaalsContact O-CA 3.3Å; F433-L450 WeakPolarHBondContact O-CA 3.37Å; K434-L450 HydrophobicContact CG-CD1 4.49Å; L450-T452 HydrophobicContact CD2-CG2 4.25Å; L450-T452 HydrophobicContact CG-CG2 4.11Å; L450-F463 HydrophobicContact CB-CB 4.35Å; L450-F463 PolarHBondContact N-O 3.46Å; L450-F463 PolarHBondContact O-N 3.24Å; L450-L465 HydrophobicContact CB-CD1 4.37Å; L450-L465 HydrophobicContact CB-CD2 4.08Å; L450-L465 HydrophobicContact CB-CG 4.09Å; L450-L465 HydrophobicContact CD2-CD2 4.5Å
451	I	81.3	Confident	79.9	Confident	8 Å²	8	39.5 Å²	39.5	4%	0.041	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98	125.6	176.2	-61.4	-169.6	0	0	0	108.5	R432 F433 A435 L460 S461 V462 W509 F517	R432-I451 CarbonylContact C-O 3.45Å; R432-I451 WeakPolarHBondContact CA-O 3.33Å; F433-I451 HydrophobicContact CB-CB 4.41Å; F433-I451 PolarHBondContact N-O 3.45Å; F433-I451 PolarHBondContact O-N 3.27Å; A435-I451 HydrophobicContact CB-CD1 4.16Å; A435-I451 HydrophobicContact CB-CG1 4.49Å; I451-L460 HydrophobicContact CG2-CD2 4Å; I451-S461 WeakPolarHBondContact CA-O 3.16Å; I451-V462 HydrophobicContact CD1-CG1 4.12Å; I451-V462 HydrophobicContact CD1-CG2 3.9Å; I451-V462 HydrophobicContact CG1-CB 4.28Å; I451-V462 HydrophobicContact CG1-CG1 3.89Å; I451-V462 HydrophobicContact CG1-CG2 3.91Å; I451-W509 HydrophobicContact CB-CE3 4.3Å; I451-W509 HydrophobicContact CB-CH2 3.62Å; I451-W509 HydrophobicContact CB-CZ3 3.28Å; I451-W509 HydrophobicContact CD1-CE3 3.24Å; I451-W509 HydrophobicContact CD1-CH2 4.25Å; I451-W509 HydrophobicContact CD1-CZ3 3.1Å; I451-W509 HydrophobicContact CG1-CE3 4.15Å; I451-W509 HydrophobicContact CG1-CH2 4.33Å; I451-W509 HydrophobicContact CG1-CZ3 3.48Å; I451-W509 VanDerWaalsContact CG1-CZ3 3.48Å; I451-W509 HydrophobicContact CG2-CE3 4.36Å; I451-W509 HydrophobicContact CG2-CH2 3.64Å; I451-W509 HydrophobicContact CG2-CZ3 3.56Å; I451-F517 HydrophobicContact CD1-CD1 4.47Å; I451-F517 HydrophobicContact CD1-CD2 4.47Å; I451-F517 HydrophobicContact CD1-CG 4.26Å
452	T	82.1	Confident	80.3	Confident	15 Å²	15	35.8 Å²	35.8	9%	0.092	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117	120.7	-178	57.6	0	0	0	0	109.6	L431 R432 L450 L460 S461	L431-T452 CarbonylContact O-C 3.6Å; L431-T452 WeakPolarHBondContact O-CA 3.42Å; R432-T452 HydrophobicContact CB-CG2 4.24Å; R432-T452 HydrophobicContact CG-CG2 3.76Å; L450-T452 HydrophobicContact CD2-CG2 4.25Å; L450-T452 HydrophobicContact CG-CG2 4.11Å; T452-L460 WeakPolarHBondContact O-CA 2.95Å; T452-S461 PolarHBondContact N-O 3.27Å; T452-S461 PolarHBondContact O-N 3.26Å; T452-S461 PolarHBondContact OG1-O 3.4Å; T452-S461 PolarHBondContact OG1-OG 3.12Å
453	Y	80.6	Confident	80.7	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.4	125.3	176.4	-179.1	-117.7	0	0	0	110.4	V430 L431 L455 D458 S459 L460 K501 M504	V430-Y453 WeakPolarHBondContact CG1-O 3.38Å; L431-Y453 HydrophobicContact CD1-CD1 4.13Å; L431-Y453 HydrophobicContact CG-CD1 4.46Å; L431-Y453 PolarHBondContact N-O 3.03Å; L431-Y453 PolarHBondContact O-N 3.3Å; Y453-L455 HydrophobicContact CD1-CD2 3.96Å; Y453-L455 HydrophobicContact CE1-CD2 3.72Å; Y453-D458 HydrophobicContact CE2-CB 4.13Å; Y453-D458 WeakPolarHBondContact OH-CB 3.46Å; Y453-D458 PolarHBondContact OH-OD1 2.92Å; Y453-S459 WeakPolarHBondContact CA-O 3.3Å; Y453-S459 VanDerWaalsContact CD2-O 3.31Å; Y453-S459 WeakPolarHBondContact CD2-O 3.31Å; Y453-L460 HydrophobicContact CD2-CD2 3.44Å; Y453-L460 VanDerWaalsContact CD2-CD2 3.44Å; Y453-L460 HydrophobicContact CD2-CG 3.75Å; Y453-L460 HydrophobicContact CE2-CD2 4.44Å; Y453-L460 HydrophobicContact CE2-CG 4.41Å; Y453-L460 HydrophobicContact CG-CD2 3.95Å; Y453-K501 HydrophobicContact CE1-CB 4.09Å; Y453-K501 HydrophobicContact CE1-CG 4.08Å; Y453-M504 HydrophobicContact CD1-SD 3.83Å; Y453-M504 HydrophobicContact CD2-CE 3.44Å; Y453-M504 VanDerWaalsContact CD2-CE 3.44Å; Y453-M504 HydrophobicContact CD2-SD 3.75Å; Y453-M504 HydrophobicContact CE1-CE 4.42Å; Y453-M504 HydrophobicContact CE1-SD 3.98Å; Y453-M504 HydrophobicContact CE2-CE 3.32Å; Y453-M504 HydrophobicContact CE2-SD 3.91Å; Y453-M504 HydrophobicContact CG-CE 4.02Å; Y453-M504 HydrophobicContact CG-SD 3.66Å
454	F	84.1	Confident	81.3	Confident	46 Å²	46	30.8 Å²	30.8	20%	0.202	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	116.8	179.2	-60.2	-85.3	0	0	0	109.5	V430 S456 D458 S459 S461 K480	V430-F454 HydrophobicContact CG1-CD1 4.13Å; V430-F454 HydrophobicContact CG1-CE1 4.12Å; V430-F454 HydrophobicContact CG2-CD1 3.79Å; V430-F454 HydrophobicContact CG2-CE1 4.05Å; F454-S456 VanDerWaalsContact C-N 3.26Å; F454-S456 PolarHBondContact O-N 3.26Å; F454-D458 VanDerWaalsContact O-CA 3.31Å; F454-D458 WeakPolarHBondContact O-CA 3.34Å; F454-D458 PolarHBondContact O-N 3.06Å; F454-S459 PolarHBondContact N-O 2.82Å; F454-S461 WeakPolarHBondContact CE2-OG 3.5Å; F454-K480 HydrophobicContact CD2-CD 4.09Å; F454-K480 HydrophobicContact CD2-CG 4.08Å; F454-K480 HydrophobicContact CE2-CD 3.99Å; F454-K480 HydrophobicContact CE2-CG 3.97Å; F454-K480 HydrophobicContact CZ-CD 4.49Å
455	L	80.4	Confident	81.6	Confident	9 Å²	9	30.3 Å²	30.3	5%	0.047	15%	0.154	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.1	-17.8	-177.8	-71.3	173.6	0	0	0	113.9	K417 K421 N429 L431 Y453 K501	K417-L455 WeakPolarHBondContact CE-O 3.47Å; K421-L455 HydrophobicContact CB-CB 3.97Å; K421-L455 HydrophobicContact CD-CB 4.16Å; K421-L455 VanDerWaalsContact CD-O 3.22Å; K421-L455 WeakPolarHBondContact CD-O 3.45Å; N429-L455 HydrophobicContact CB-CD1 4.45Å; N429-L455 WeakPolarHBondContact O-CB 3.36Å; N429-L455 WeakPolarHBondContact O-CD1 3.37Å; N429-L455 WeakPolarHBondContact O-CG 3.38Å; L431-L455 HydrophobicContact CD1-CD2 4.15Å; L431-L455 HydrophobicContact CD2-CD1 4.18Å; L431-L455 HydrophobicContact CG-CD1 4.16Å; L431-L455 HydrophobicContact CG-CD2 4.37Å; L431-L455 HydrophobicContact CG-CG 4.22Å; Y453-L455 HydrophobicContact CD1-CD2 3.96Å; Y453-L455 HydrophobicContact CE1-CD2 3.72Å; L455-K501 HydrophobicContact CD2-CD 3.54Å; L455-K501 VanDerWaalsContact CD2-CE 3.41Å; L455-K501 HydrophobicContact CD2-CG 4.29Å
456	S	81.5	Confident	81.8	Confident	13 Å²	13	30.5 Å²	30.5	9%	0.091	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.7	-51.9	176.5	50.5	0	0	0	0	111.5	F454	F454-S456 VanDerWaalsContact C-N 3.26Å; F454-S456 PolarHBondContact O-N 3.26Å
457	D	76.9	Confident	81.8	Confident	41 Å²	41	32.5 Å²	32.5	22%	0.219	16%	0.161	C	C	.	.	T	Hydrogen-bonded Turn	trans	-112.2	-0.2	-170.1	-54.4	-33.7	0	0	0	114.5	S459 K480 R482	D457-S459 PolarHBondContact O-N 3.41Å; D457-K480 IonicContact OD2-NZ 3.37Å; D457-K480 PolarHBondContact OD2-NZ 2.83Å; D457-R482 PolarHBondContact O-NE 3.27Å; D457-R482 PolarHBondContact O-NH2 2.93Å
458	D	79.3	Confident	81.5	Confident	39 Å²	39	40.2 Å²	40.2	21%	0.209	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	53.3	30.8	-170.1	-59.1	-16	0	0	0	114.3	K417 Y453 F454	K417-D458 VanDerWaalsContact CE-OD1 3.31Å; K417-D458 WeakPolarHBondContact CE-OD1 3.43Å; K417-D458 IonicContact NZ-OD1 3.2Å; K417-D458 PolarHBondContact NZ-OD1 2.96Å; K417-D458 IonicContact NZ-OD2 3.39Å; K417-D458 PolarHBondContact NZ-OD2 3.4Å; Y453-D458 HydrophobicContact CE2-CB 4.13Å; Y453-D458 WeakPolarHBondContact OH-CB 3.46Å; Y453-D458 PolarHBondContact OH-OD1 2.92Å; F454-D458 VanDerWaalsContact O-CA 3.31Å; F454-D458 WeakPolarHBondContact O-CA 3.34Å; F454-D458 PolarHBondContact O-N 3.06Å
459	S	81.8	Confident	80.9	Confident	6 Å²	6	47.3 Å²	47.3	4%	0.042	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	154.7	178.2	50.9	0	0	0	0	111.7	Y453 F454 D457 K480 S481	Y453-S459 WeakPolarHBondContact CA-O 3.3Å; Y453-S459 VanDerWaalsContact CD2-O 3.31Å; Y453-S459 WeakPolarHBondContact CD2-O 3.31Å; F454-S459 PolarHBondContact N-O 2.82Å; D457-S459 PolarHBondContact O-N 3.41Å; S459-K480 WeakPolarHBondContact OG-CE 3.35Å; S459-K480 WeakPolarHBondContact OG-CG 3.47Å; S459-S481 WeakPolarHBondContact CA-O 3.45Å
460	L	81.4	Confident	80.1	Confident	10 Å²	10	49.1 Å²	49.1	5%	0.052	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	141.9	178.2	-71.5	163	0	0	0	109.7	I451 T452 Y453 K480 S481 L483 M504 W511	I451-L460 HydrophobicContact CG2-CD2 4Å; T452-L460 WeakPolarHBondContact O-CA 2.95Å; Y453-L460 HydrophobicContact CD2-CD2 3.44Å; Y453-L460 VanDerWaalsContact CD2-CD2 3.44Å; Y453-L460 HydrophobicContact CD2-CG 3.75Å; Y453-L460 HydrophobicContact CE2-CD2 4.44Å; Y453-L460 HydrophobicContact CE2-CG 4.41Å; Y453-L460 HydrophobicContact CG-CD2 3.95Å; L460-K480 WeakPolarHBondContact O-CA 3.31Å; L460-S481 PolarHBondContact N-O 3.21Å; L460-S481 PolarHBondContact O-N 3.44Å; L460-L483 HydrophobicContact CD1-CB 4.28Å; L460-L483 HydrophobicContact CD1-CD1 3.34Å; L460-L483 HydrophobicContact CD1-CG 3.83Å; L460-M504 HydrophobicContact CD1-CE 3.7Å; L460-M504 HydrophobicContact CD2-CE 3.78Å; L460-M504 HydrophobicContact CD2-SD 4.38Å; L460-M504 HydrophobicContact CG-CE 4Å; L460-W511 HydrophobicContact CB-CZ3 4.12Å
461	S	84.8	Confident	79.4	Confident	19 Å²	19	52.5 Å²	52.5	13%	0.133	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	146.4	163.1	54.3	0	0	0	0	110.3	I451 T452 F454	I451-S461 WeakPolarHBondContact CA-O 3.16Å; T452-S461 PolarHBondContact N-O 3.27Å; T452-S461 PolarHBondContact O-N 3.26Å; T452-S461 PolarHBondContact OG1-O 3.4Å; T452-S461 PolarHBondContact OG1-OG 3.12Å; F454-S461 WeakPolarHBondContact CE2-OG 3.5Å
462	V	85.2	Confident	79	Confident	0 Å²	0	54.7 Å²	54.7	0%	0	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	121.3	-178.7	-175.4	0	0	0	0	108.1	F449 I451 F477 A478 W511 F517	F449-V462 HydrophobicContact CB-CG1 3.98Å; F449-V462 HydrophobicContact CD1-CG1 3.99Å; F449-V462 HydrophobicContact CG-CG1 4.29Å; I451-V462 HydrophobicContact CD1-CG1 4.12Å; I451-V462 HydrophobicContact CD1-CG2 3.9Å; I451-V462 HydrophobicContact CG1-CB 4.28Å; I451-V462 HydrophobicContact CG1-CG1 3.89Å; I451-V462 HydrophobicContact CG1-CG2 3.91Å; V462-F477 HydrophobicContact CB-CB 4.25Å; V462-F477 HydrophobicContact CB-CD1 4.3Å; V462-F477 HydrophobicContact CG1-CB 3.95Å; V462-F477 HydrophobicContact CG1-CD1 3.94Å; V462-F477 HydrophobicContact CG1-CG 4.27Å; V462-F477 PolarHBondContact O-N 3.5Å; V462-A478 HydrophobicContact CB-CB 3.91Å; V462-A478 HydrophobicContact CG2-CB 4.01Å; V462-A478 PolarHBondContact N-O 2.76Å; V462-A478 PolarHBondContact O-N 3.31Å; V462-W511 HydrophobicContact CG2-CE3 3.97Å; V462-W511 HydrophobicContact CG2-CH2 4.46Å; V462-W511 HydrophobicContact CG2-CZ3 3.88Å; V462-F517 HydrophobicContact CG1-CZ 4.49Å
463	F	84.7	Confident	78.2	Confident	80 Å²	80	58.9 Å²	58.9	35%	0.351	32%	0.318	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	134.2	179.9	-175.7	-99.9	0	0	0	109.8	F449 L450 L465 T474 I476	F449-F463 CarbonylContact C-O 3.57Å; F449-F463 WeakPolarHBondContact CA-O 3.28Å; L450-F463 HydrophobicContact CB-CB 4.35Å; L450-F463 PolarHBondContact N-O 3.46Å; L450-F463 PolarHBondContact O-N 3.24Å; F463-L465 HydrophobicContact CD1-CD2 4.23Å; F463-L465 HydrophobicContact CE1-CD2 4.39Å; F463-T474 HydrophobicContact CE1-CG2 4.47Å; F463-T474 HydrophobicContact CZ-CG2 4.29Å; F463-I476 HydrophobicContact CD2-CG1 4.01Å; F463-I476 HydrophobicContact CE2-CG1 4.31Å
464	E	86.3	Confident	77.5	Confident	17 Å²	17	61.1 Å²	61.1	8%	0.079	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	137.2	176.8	-167.3	164.5	-172.1	0	0	110.1	R447 F449 T474 K475	R447-E464 VanDerWaalsContact CD-OE1 3.28Å; R447-E464 WeakPolarHBondContact CD-OE1 3.49Å; R447-E464 IonicContact NE-OE1 2.76Å; R447-E464 IonicContact NH1-OE1 3.66Å; R447-E464 PolarHBondContact NH1-OE1 2.83Å; F449-E464 HydrophobicContact CD1-CB 4.14Å; F449-E464 HydrophobicContact CD1-CG 4.21Å; F449-E464 HydrophobicContact CE1-CB 4.16Å; F449-E464 HydrophobicContact CE1-CG 3.94Å; E464-T474 VanDerWaalsContact O-CG2 3.29Å; E464-T474 WeakPolarHBondContact O-CG2 3.41Å; E464-K475 PolarHBondContact N-O 3.37Å
465	L	82.2	Confident	76.9	Confident	52 Å²	52	66.1 Å²	66.1	27%	0.272	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-95	140.3	177.9	-67.6	178.3	0	0	0	111.3	V448 L450 F463	V448-L465 HydrophobicContact CG1-CD1 3.98Å; V448-L465 WeakPolarHBondContact O-CB 3.47Å; V448-L465 PolarHBondContact O-N 3.01Å; L450-L465 HydrophobicContact CB-CD1 4.37Å; L450-L465 HydrophobicContact CB-CD2 4.08Å; L450-L465 HydrophobicContact CB-CG 4.09Å; L450-L465 HydrophobicContact CD2-CD2 4.5Å; F463-L465 HydrophobicContact CD1-CD2 4.23Å; F463-L465 HydrophobicContact CE1-CD2 4.39Å
466	E	78.7	Confident	76.9	Confident	151 Å²	151	70.6 Å²	70.6	71%	0.706	38%	0.377	S	S	*	.	P	Polyproline II helix	trans	-65.6	135.3	177	-62.9	177.5	-168.6	0	0	111.8	T474	E466-T474 HydrophobicContact CB-CG2 4.31Å; E466-T474 HydrophobicContact CG-CG2 3.14Å; E466-T474 WeakPolarHBondContact CG-OG1 3.24Å; E466-T474 PolarHBondContact OE1-OG1 2.88Å
467	Q	75.3	Confident	76.9	Confident	78 Å²	78	73.2 Å²	73.2	36%	0.364	39%	0.386	S	S	.	.			trans	-122	127.2	169.2	-67.9	-179.2	-7.1	0	0	109	G446 V448 N469 S470	G446-Q467 PolarHBondContact O-NE2 3.33Å; G446-Q467 PolarHBondContact O-OE1 2.75Å; V448-Q467 VanDerWaalsContact CG2-NE2 3.31Å; Q467-N469 PolarHBondContact O-N 3.44Å; Q467-S470 WeakPolarHBondContact O-CB 3.11Å; Q467-S470 PolarHBondContact O-N 3.31Å; Q467-S470 PolarHBondContact O-OG 3.48Å
468	K	75.6	Confident	77	Confident	203 Å²	203	71.8 Å²	71.8	88%	0.883	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	137.3	172.7	-64.7	-175	178.5	-175.9	0	108.8	S470	K468-S470 VanDerWaalsContact C-N 3.29Å; K468-S470 PolarHBondContact O-N 3.05Å
469	N	70.1	Confident	77.1	Confident	173 Å²	173	76.1 Å²	76.1	93%	0.925	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	67.7	16.7	178.7	-47.3	-22.6	0	0	0	115.9	Q467	Q467-N469 PolarHBondContact O-N 3.44Å
470	S	67.1	Low	77.2	Confident	37 Å²	37	81 Å²	81	26%	0.259	42%	0.423	S	S	.	.			trans	-92.8	-10.3	179.5	65.5	0	0	0	0	115.3	Q467 K468 I472	Q467-S470 WeakPolarHBondContact O-CB 3.11Å; Q467-S470 PolarHBondContact O-N 3.31Å; Q467-S470 PolarHBondContact O-OG 3.48Å; K468-S470 VanDerWaalsContact C-N 3.29Å; K468-S470 PolarHBondContact O-N 3.05Å; S470-I472 WeakPolarHBondContact O-CG1 3.44Å; S470-I472 PolarHBondContact O-N 3.06Å
471	A	67.8	Low	77.1	Confident	106 Å²	106	83 Å²	83	88%	0.876	44%	0.437	S	S	*	.			trans	54.8	10.8	-177.1	0	0	0	0	0	116
472	I	72.8	Confident	76.7	Confident	53 Å²	53	87.8 Å²	87.8	27%	0.272	45%	0.453	S	S	.	.	P	Polyproline II helix	trans	-103.1	119.4	179.7	-63.8	154.6	0	0	0	108.7	R447 S470	R447-I472 HydrophobicContact CG-CD1 4.17Å; S470-I472 WeakPolarHBondContact O-CG1 3.44Å; S470-I472 PolarHBondContact O-N 3.06Å
473	C	65.8	Low	75.9	Confident	104 Å²	104	88.5 Å²	88.5	70%	0.703	46%	0.456	S	S	*	.	P	Polyproline II helix	trans	-72.5	137.6	175	-61.8	0	0	0	0	111.2	K475	C473-K475 PolarHBondContact O-N 3.3Å
474	T	65.5	Low	75	Confident	46 Å²	46	89.5 Å²	89.5	28%	0.282	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-62	126.5	176.5	14.9	0	0	0	0	112.8	F463 E464 E466	F463-T474 HydrophobicContact CE1-CG2 4.47Å; F463-T474 HydrophobicContact CZ-CG2 4.29Å; E464-T474 VanDerWaalsContact O-CG2 3.29Å; E464-T474 WeakPolarHBondContact O-CG2 3.41Å; E466-T474 HydrophobicContact CB-CG2 4.31Å; E466-T474 HydrophobicContact CG-CG2 3.14Å; E466-T474 WeakPolarHBondContact CG-OG1 3.24Å; E466-T474 PolarHBondContact OE1-OG1 2.88Å
475	K	72.6	Confident	73.8	Confident	152 Å²	152	90.8 Å²	90.8	66%	0.661	47%	0.468	S	S	*	.			trans	-141.1	159.3	169.9	-67.2	-174.4	-179.6	177	0	110.6	E464 C473 F477	E464-K475 PolarHBondContact N-O 3.37Å; C473-K475 PolarHBondContact O-N 3.3Å; K475-F477 PolarHBondContact O-N 2.74Å
476	I	79.1	Confident	72.3	Confident	103 Å²	103	91.1 Å²	91.1	53%	0.528	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-66.3	115.3	165.9	-60.5	167.4	0	0	0	106.7	F463 A478 L479	F463-I476 HydrophobicContact CD2-CG1 4.01Å; F463-I476 HydrophobicContact CE2-CG1 4.31Å; I476-A478 WeakPolarHBondContact CG2-O 3.45Å; I476-L479 HydrophobicContact CD1-CD2 4.27Å; I476-L479 HydrophobicContact CG2-CD2 4.09Å
477	F	81.3	Confident	70.7	Confident	68 Å²	68	88 Å²	88	30%	0.298	47%	0.473	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.2	-37.8	-179.3	-172.2	-92.3	0	0	0	111.1	M437 F449 V462 K475 Q515 F517	M437-F477 HydrophobicContact CE-CE1 4.02Å; M437-F477 HydrophobicContact CE-CE2 4.1Å; M437-F477 HydrophobicContact CE-CZ 3.48Å; M437-F477 VanDerWaalsContact CE-CZ 3.48Å; F449-F477 HydrophobicContact CD1-CB 4.29Å; F449-F477 HydrophobicContact CD1-CD2 4.42Å; F449-F477 HydrophobicContact CD1-CG 4.23Å; F449-F477 HydrophobicContact CE1-CB 4.29Å; F449-F477 AromaticContact CE1-CD2 3.64Å; F449-F477 HydrophobicContact CE1-CD2 3.64Å; F449-F477 HydrophobicContact CE1-CE2 4.08Å; F449-F477 AromaticContact CE1-CG 3.89Å; F449-F477 HydrophobicContact CE1-CG 3.89Å; F449-F477 HydrophobicContact CZ-CD2 4.42Å; F449-F477 HydrophobicContact CZ-CE2 4.44Å; V462-F477 HydrophobicContact CB-CB 4.25Å; V462-F477 HydrophobicContact CB-CD1 4.3Å; V462-F477 HydrophobicContact CG1-CB 3.95Å; V462-F477 HydrophobicContact CG1-CD1 3.94Å; V462-F477 HydrophobicContact CG1-CG 4.27Å; V462-F477 PolarHBondContact O-N 3.5Å; K475-F477 PolarHBondContact O-N 2.74Å; F477-Q515 VanDerWaalsContact CE1-OE1 3.26Å; F477-Q515 VanDerWaalsContact CZ-OE1 3.28Å; F477-F517 HydrophobicContact CD1-CZ 4.28Å; F477-F517 AromaticContact CE1-CZ 3.86Å; F477-F517 HydrophobicContact CE1-CZ 3.86Å
478	A	79.4	Confident	69.2	Low	10 Å²	10	88.3 Å²	88.3	8%	0.083	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.8	128.5	171.9	0	0	0	0	0	111.6	V462 I476 W511	V462-A478 HydrophobicContact CB-CB 3.91Å; V462-A478 HydrophobicContact CG2-CB 4.01Å; V462-A478 PolarHBondContact N-O 2.76Å; V462-A478 PolarHBondContact O-N 3.31Å; I476-A478 WeakPolarHBondContact CG2-O 3.45Å; A478-W511 HydrophobicContact CB-CH2 3.71Å; A478-W511 HydrophobicContact CB-CZ2 3.36Å; A478-W511 HydrophobicContact CB-CZ3 4.46Å
479	L	82.1	Confident	67.1	Low	131 Å²	131	83.4 Å²	83.4	69%	0.686	47%	0.467	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.8	155.7	174.9	-68.2	170.5	0	0	0	111.3	I476 S481	I476-L479 HydrophobicContact CD1-CD2 4.27Å; I476-L479 HydrophobicContact CG2-CD2 4.09Å; L479-S481 PolarHBondContact O-N 3.37Å; L479-S481 PolarHBondContact O-OG 3.16Å; L479-S481 VanDerWaalsContact O-OG 3.12Å
480	K	83.9	Confident	65.5	Low	108 Å²	108	83.4 Å²	83.4	47%	0.47	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-55.2	109.9	-180	-176.7	-176.4	175.3	-168.5	0	110.3	F454 D457 S459 L460	F454-K480 HydrophobicContact CD2-CD 4.09Å; F454-K480 HydrophobicContact CD2-CG 4.08Å; F454-K480 HydrophobicContact CE2-CD 3.99Å; F454-K480 HydrophobicContact CE2-CG 3.97Å; F454-K480 HydrophobicContact CZ-CD 4.49Å; D457-K480 IonicContact OD2-NZ 3.37Å; D457-K480 PolarHBondContact OD2-NZ 2.83Å; S459-K480 WeakPolarHBondContact OG-CE 3.35Å; S459-K480 WeakPolarHBondContact OG-CG 3.47Å; L460-K480 WeakPolarHBondContact O-CA 3.31Å
481	S	79.1	Confident	63.8	Low	51 Å²	51	88.2 Å²	88.2	36%	0.357	49%	0.488	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	163.1	-178.6	54.4	0	0	0	0	111.5	S459 L460 L479	S459-S481 WeakPolarHBondContact CA-O 3.45Å; L460-S481 PolarHBondContact N-O 3.21Å; L460-S481 PolarHBondContact O-N 3.44Å; L479-S481 PolarHBondContact O-N 3.37Å; L479-S481 PolarHBondContact O-OG 3.16Å; L479-S481 VanDerWaalsContact O-OG 3.12Å
482	R	75.5	Confident	61.9	Low	121 Å²	121	88.1 Å²	88.1	46%	0.457	48%	0.476	S	S	.	.	P	Polyproline II helix	trans	-89.1	131.3	173.2	-69.8	-175.5	171.8	-172.3	-0.6	109.5	D457 F498	D457-R482 PolarHBondContact O-NE 3.27Å; D457-R482 PolarHBondContact O-NH2 2.93Å; R482-F498 HydrophobicContact CB-CD1 3.64Å; R482-F498 HydrophobicContact CB-CE1 3.76Å; R482-F498 HydrophobicContact CB-CG 4.48Å
483	L	69.4	Low	60.4	Low	14 Å²	14	93.7 Å²	93.7	7%	0.073	50%	0.499	C	S	.	.	P	Polyproline II helix	trans	-90.9	129	178.1	-74.6	-176.5	0	0	0	111.7	L460 F498 M499 W511	L460-L483 HydrophobicContact CD1-CB 4.28Å; L460-L483 HydrophobicContact CD1-CD1 3.34Å; L460-L483 HydrophobicContact CD1-CG 3.83Å; L483-F498 WeakPolarHBondContact O-CA 3.46Å; L483-M499 HydrophobicContact CB-CB 4.47Å; L483-M499 HydrophobicContact CB-CG 4.26Å; L483-M499 PolarHBondContact O-N 3.38Å; L483-W511 HydrophobicContact CD1-CD2 4.22Å; L483-W511 HydrophobicContact CD1-CE3 3.32Å; L483-W511 HydrophobicContact CD1-CH2 4.3Å; L483-W511 HydrophobicContact CD1-CZ3 3.39Å; L483-W511 HydrophobicContact CD2-CD2 3.85Å; L483-W511 HydrophobicContact CD2-CE3 3.61Å; L483-W511 HydrophobicContact CD2-CH2 3.51Å; L483-W511 HydrophobicContact CD2-CZ2 3.77Å; L483-W511 HydrophobicContact CD2-CZ3 3.45Å; L483-W511 VanDerWaalsContact CD2-CZ3 3.45Å; L483-W511 HydrophobicContact CG-CE3 3.86Å; L483-W511 HydrophobicContact CG-CH2 3.96Å; L483-W511 HydrophobicContact CG-CZ3 3.53Å
484	K	65.7	Low	58.9	Low	101 Å²	101	92.6 Å²	92.6	44%	0.439	49%	0.492	S	S	.	.	B	Isolated β-bridge	trans	-85.1	136.5	169.2	-61.5	-173.6	-179.6	-167.7	0	109.5	E396 F498	E396-K484 IonicContact OE1-NZ 3.43Å; E396-K484 PolarHBondContact OE1-NZ 3.23Å; K484-F498 HydrophobicContact CD-CE1 4.47Å; K484-F498 HydrophobicContact CG-CD1 4Å; K484-F498 HydrophobicContact CG-CE1 3.65Å; K484-F498 HydrophobicContact CG-CZ 4.4Å
485	I	61	Low	57.6	Low	44 Å²	44	95.8 Å²	95.8	23%	0.226	51%	0.506	C	S	.	.	P	Polyproline II helix	trans	-71.2	126.5	175.6	-61.9	169.5	0	0	0	108.3	A487 I497 M499 E503	I485-A487 HydrophobicContact CG2-CB 4.1Å; I485-A487 PolarHBondContact O-N 3.16Å; I485-I497 HydrophobicContact CD1-CG2 4.05Å; I485-I497 PolarHBondContact N-O 2.96Å; I485-M499 HydrophobicContact CD1-SD 4.48Å; I485-M499 HydrophobicContact CG1-CG 3.78Å; I485-M499 HydrophobicContact CG1-SD 4.06Å; I485-E503 WeakPolarHBondContact CD1-OE2 3.45Å
486	P	51.1	Low	56.3	Low	60 Å²	60	90.4 Å²	90.4	39%	0.39	49%	0.487	S	S	.	.	S	Bend	trans	-75	-7	-175.9	26.6	-32	0	0	0	114.5	I488 V510 K513	P486-I488 PolarHBondContact O-N 3.03Å; P486-V510 HydrophobicContact CG-CG1 4.21Å; P486-K513 HydrophobicContact CB-CG 3.93Å
487	A	45.2	Very low	54.7	Low	84 Å²	84	90 Å²	90	69%	0.694	49%	0.485	S	S	*	.			trans	-95.2	36.2	-167.5	0	0	0	0	0	115	I485	I485-A487 HydrophobicContact CG2-CB 4.1Å; I485-A487 PolarHBondContact O-N 3.16Å
488	I	42.7	Very low	53.4	Low	86 Å²	86	89 Å²	89	44%	0.441	48%	0.481	S	S	.	.	S	Bend	trans	-125.4	106.2	163.9	-55.4	174.1	0	0	0	106.5	P486 L490 I497	P486-I488 PolarHBondContact O-N 3.03Å; I488-L490 PolarHBondContact O-N 3.17Å; I488-I497 HydrophobicContact CD1-CD1 3.96Å; I488-I497 HydrophobicContact CD1-CG1 4.23Å
489	S	31.6	Very low	52	Low	99 Å²	99	90.1 Å²	90.1	69%	0.692	49%	0.485	S	S	*	.			trans	-49.6	134.5	168.5	46	0	0	0	0	109.3	I491	S489-I491 PolarHBondContact O-N 3.12Å
490	L	37.2	Very low	50.5	Low	173 Å²	173	87.5 Å²	87.5	91%	0.906	47%	0.474	S	S	*	.	S	Bend	trans	-58.6	46.8	-175.5	-82.4	158.4	0	0	0	115.9	I488	I488-L490 PolarHBondContact O-N 3.17Å
491	I	31.6	Very low	49	Very low	139 Å²	139	84.6 Å²	84.6	71%	0.713	46%	0.462	S	S	*	.			trans	-138.4	126.5	174.3	-49.5	178.5	0	0	0	107.5	S489	S489-I491 PolarHBondContact O-N 3.12Å
492	V	28.3	Very low	47.6	Very low	103 Å²	103	86.8 Å²	86.8	62%	0.624	47%	0.469	S	S	*	.	S	Bend	trans	94.9	99.4	171.7	-164.8	0	0	0	0	116.6	S494	V492-S494 VanDerWaalsContact C-N 3.29Å; V492-S494 PolarHBondContact O-N 3.22Å; V492-S494 PolarHBondContact O-OG 3.46Å
493	F	40.3	Very low	46.4	Very low	171 Å²	171	86.2 Å²	86.2	75%	0.75	47%	0.472	S	S	*	.	S	Bend	trans	34	31.8	132.7	-59.3	-83.8	0	0	0	121.4
494	S	35.4	Very low	45.7	Very low	81 Å²	81	85.9 Å²	85.9	57%	0.566	47%	0.47	S	S	*	.			trans	-131.6	139.8	175.1	65.5	0	0	0	0	112.7	V492	V492-S494 VanDerWaalsContact C-N 3.29Å; V492-S494 PolarHBondContact O-N 3.22Å; V492-S494 PolarHBondContact O-OG 3.46Å
495	I	37	Very low	45	Very low	113 Å²	113	81.5 Å²	81.5	58%	0.579	45%	0.451	S	S	*	.			trans	-49.8	138.7	172.6	-62.3	165	0	0	0	109.6	I497	I495-I497 PolarHBondContact O-N 2.82Å; I495-I497 VanDerWaalsContact O-N 3.14Å
496	S	44.6	Very low	44.4	Very low	38 Å²	38	82 Å²	82	27%	0.266	46%	0.463	S	S	.	.			trans	-58.7	119.7	177.4	-68.1	0	0	0	0	110	E396 F498	E396-S496 VanDerWaalsContact OE1-CB 3.28Å; E396-S496 WeakPolarHBondContact OE1-CB 3.4Å; E396-S496 PolarHBondContact OE1-OG 3.33Å; E396-S496 VanDerWaalsContact OE2-CB 3.23Å; E396-S496 WeakPolarHBondContact OE2-CB 3.36Å; E396-S496 PolarHBondContact OE2-N 2.84Å; E396-S496 PolarHBondContact OE2-OG 3.49Å; S496-F498 WeakPolarHBondContact O-CD2 3.47Å; S496-F498 PolarHBondContact O-N 3.06Å
497	I	47.2	Very low	44.4	Very low	94 Å²	94	81.6 Å²	81.6	48%	0.482	47%	0.469	S	S	.	.			trans	-74.5	115	175.7	-55.1	179.7	0	0	0	108.2	I485 I488 I495	I485-I497 HydrophobicContact CD1-CG2 4.05Å; I485-I497 PolarHBondContact N-O 2.96Å; I488-I497 HydrophobicContact CD1-CD1 3.96Å; I488-I497 HydrophobicContact CD1-CG1 4.23Å; I495-I497 PolarHBondContact O-N 2.82Å; I495-I497 VanDerWaalsContact O-N 3.14Å
498	F	52.8	Low	44.8	Very low	49 Å²	49	81.8 Å²	81.8	22%	0.215	46%	0.458	C	S	.	.	B	Isolated β-bridge	trans	-79.2	147.6	172.5	-66.6	-79.5	0	0	0	110.4	R482 L483 K484 S496 V500	R482-F498 HydrophobicContact CB-CD1 3.64Å; R482-F498 HydrophobicContact CB-CE1 3.76Å; R482-F498 HydrophobicContact CB-CG 4.48Å; L483-F498 WeakPolarHBondContact O-CA 3.46Å; K484-F498 HydrophobicContact CD-CE1 4.47Å; K484-F498 HydrophobicContact CG-CD1 4Å; K484-F498 HydrophobicContact CG-CE1 3.65Å; K484-F498 HydrophobicContact CG-CZ 4.4Å; S496-F498 WeakPolarHBondContact O-CD2 3.47Å; S496-F498 PolarHBondContact O-N 3.06Å; F498-V500 WeakPolarHBondContact O-CG2 3.46Å; F498-V500 PolarHBondContact O-N 3.4Å
499	M	50.2	Low	45.6	Very low	32 Å²	32	78.6 Å²	78.6	16%	0.158	44%	0.44	C	S	.	.			trans	-53.4	105.4	176.2	-83.7	-85.4	-111.1	0	0	111.3	L483 I485 M504	L483-M499 HydrophobicContact CB-CB 4.47Å; L483-M499 HydrophobicContact CB-CG 4.26Å; L483-M499 PolarHBondContact O-N 3.38Å; I485-M499 HydrophobicContact CD1-SD 4.48Å; I485-M499 HydrophobicContact CG1-CG 3.78Å; I485-M499 HydrophobicContact CG1-SD 4.06Å; M499-M504 HydrophobicContact CB-CE 4.38Å
500	V	51.5	Low	46.7	Very low	76 Å²	76	76.5 Å²	76.5	46%	0.461	42%	0.423	S	S	.	.			trans	-82.5	144	176.7	179.8	0	0	0	0	109.8	F498 N502 E503	F498-V500 WeakPolarHBondContact O-CG2 3.46Å; F498-V500 PolarHBondContact O-N 3.4Å; V500-N502 PolarHBondContact O-N 3.34Å; V500-E503 PolarHBondContact O-N 3.39Å
501	K	51.6	Low	47.8	Very low	48 Å²	48	69.6 Å²	69.6	21%	0.209	39%	0.385	C	S	.	.	T	Hydrogen-bonded Turn	trans	-39	-25.8	177.4	-174.4	177.9	174.1	-179.7	0	116.5	Y453 L455 F537	Y453-K501 HydrophobicContact CE1-CB 4.09Å; Y453-K501 HydrophobicContact CE1-CG 4.08Å; L455-K501 HydrophobicContact CD2-CD 3.54Å; L455-K501 VanDerWaalsContact CD2-CE 3.41Å; L455-K501 HydrophobicContact CD2-CG 4.29Å; K501-F537 HydrophobicContact CD-CZ 4.48Å; K501-F537 HydrophobicContact CG-CE1 4.2Å
502	N	49.3	Very low	48.9	Very low	97 Å²	97	68.3 Å²	68.3	52%	0.519	38%	0.379	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77	-29.9	-177.7	-69.2	-3.2	0	0	0	113.4	V500	V500-N502 PolarHBondContact O-N 3.34Å
503	E	51	Low	50	Low	109 Å²	109	71.6 Å²	71.6	51%	0.509	39%	0.385	S	S	.	.	G	3₁₀ helix	trans	-83.6	-16	-177.9	-63	-169.6	162.6	0	0	113.2	I485 V500 N505 A506	I485-E503 WeakPolarHBondContact CD1-OE2 3.45Å; V500-E503 PolarHBondContact O-N 3.39Å; E503-N505 PolarHBondContact O-N 3.03Å; E503-A506 PolarHBondContact O-N 3.18Å
504	M	54.2	Low	50.8	Low	6 Å²	6	68.2 Å²	68.2	3%	0.03	38%	0.383	C	S	.	.	G	3₁₀ helix	trans	-67.4	-4.3	-179.4	-70.2	-173.3	177.5	0	0	115.3	Y453 L460 M499 W509	Y453-M504 HydrophobicContact CD1-SD 3.83Å; Y453-M504 HydrophobicContact CD2-CE 3.44Å; Y453-M504 VanDerWaalsContact CD2-CE 3.44Å; Y453-M504 HydrophobicContact CD2-SD 3.75Å; Y453-M504 HydrophobicContact CE1-CE 4.42Å; Y453-M504 HydrophobicContact CE1-SD 3.98Å; Y453-M504 HydrophobicContact CE2-CE 3.32Å; Y453-M504 HydrophobicContact CE2-SD 3.91Å; Y453-M504 HydrophobicContact CG-CE 4.02Å; Y453-M504 HydrophobicContact CG-SD 3.66Å; L460-M504 HydrophobicContact CD1-CE 3.7Å; L460-M504 HydrophobicContact CD2-CE 3.78Å; L460-M504 HydrophobicContact CD2-SD 4.38Å; L460-M504 HydrophobicContact CG-CE 4Å; M499-M504 HydrophobicContact CB-CE 4.38Å; M504-W509 PolarHBondContact O-NE1 3.49Å
505	N	52.1	Low	52.3	Low	9 Å²	9	67.3 Å²	67.3	5%	0.048	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-94.1	-13.7	-178.7	-73.2	-27	0	0	0	113.7	E503 K526 F537 I539	E503-N505 PolarHBondContact O-N 3.03Å; N505-K526 PolarHBondContact OD1-NZ 2.79Å; N505-F537 VanDerWaalsContact ND2-CD1 3.3Å; N505-F537 WeakPolarHBondContact ND2-CD1 3.32Å; N505-I539 HydrophobicContact CB-CB 4.34Å; N505-I539 HydrophobicContact CB-CD1 3.36Å; N505-I539 HydrophobicContact CB-CG1 4.39Å
506	A	48.2	Very low	53.8	Low	56 Å²	56	66.1 Å²	66.1	46%	0.463	36%	0.362	S	S	.	.	S	Bend	trans	-68	144.5	167.8	0	0	0	0	0	110.5	E503 L508	E503-A506 PolarHBondContact O-N 3.18Å; A506-L508 PolarHBondContact O-N 2.86Å
507	G	51.1	Low	55	Low	51 Å²	51	64.3 Å²	64.3	53%	0.526	35%	0.349	S	S	.	.	S	Bend	trans	-69.1	-1.6	-168.2	0	0	0	0	0	116.7	K519	G507-K519 PolarHBondContact O-N 2.8Å
508	L	53.9	Low	56	Low	87 Å²	87	64.8 Å²	64.8	46%	0.455	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	133.1	-175	-157.5	80.8	0	0	0	110.2	A506	A506-L508 PolarHBondContact O-N 2.86Å
509	W	59.4	Low	56.6	Low	19 Å²	19	63.7 Å²	63.7	7%	0.072	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	130.7	176.4	-63.8	-16.4	0	0	0	109.7	F433 A435 I451 M504 E516 F517	F433-W509 HydrophobicContact CB-CH2 3.23Å; F433-W509 HydrophobicContact CB-CZ2 4.02Å; F433-W509 HydrophobicContact CB-CZ3 3.97Å; F433-W509 HydrophobicContact CD1-CH2 4.11Å; F433-W509 HydrophobicContact CD1-CZ2 4.05Å; F433-W509 AromaticContact CD2-CH2 3.49Å; F433-W509 HydrophobicContact CD2-CH2 3.49Å; F433-W509 VanDerWaalsContact CD2-CH2 3.49Å; F433-W509 AromaticContact CD2-CZ2 3.77Å; F433-W509 HydrophobicContact CD2-CZ2 3.77Å; F433-W509 HydrophobicContact CE1-CZ2 4.42Å; F433-W509 HydrophobicContact CE2-CH2 4.31Å; F433-W509 HydrophobicContact CE2-CZ2 4.18Å; F433-W509 AromaticContact CG-CH2 3.35Å; F433-W509 HydrophobicContact CG-CH2 3.35Å; F433-W509 AromaticContact CG-CZ2 3.69Å; F433-W509 HydrophobicContact CG-CZ2 3.69Å; F433-W509 HydrophobicContact CG-CZ3 4.49Å; F433-W509 HydrophobicContact CZ-CZ2 4.48Å; A435-W509 HydrophobicContact CB-CE3 3.92Å; A435-W509 HydrophobicContact CB-CZ3 3.73Å; I451-W509 HydrophobicContact CB-CE3 4.3Å; I451-W509 HydrophobicContact CB-CH2 3.62Å; I451-W509 HydrophobicContact CB-CZ3 3.28Å; I451-W509 HydrophobicContact CD1-CE3 3.24Å; I451-W509 HydrophobicContact CD1-CH2 4.25Å; I451-W509 HydrophobicContact CD1-CZ3 3.1Å; I451-W509 HydrophobicContact CG1-CE3 4.15Å; I451-W509 HydrophobicContact CG1-CH2 4.33Å; I451-W509 HydrophobicContact CG1-CZ3 3.48Å; I451-W509 VanDerWaalsContact CG1-CZ3 3.48Å; I451-W509 HydrophobicContact CG2-CE3 4.36Å; I451-W509 HydrophobicContact CG2-CH2 3.64Å; I451-W509 HydrophobicContact CG2-CZ3 3.56Å; M504-W509 PolarHBondContact O-NE1 3.49Å; W509-E516 CarbonylContact O-C 3.55Å; W509-E516 WeakPolarHBondContact O-CA 3.17Å; W509-F517 HydrophobicContact CB-CB 4.12Å; W509-F517 HydrophobicContact CE3-CB 4.19Å; W509-F517 PolarHBondContact N-O 2.84Å; W509-F517 PolarHBondContact O-N 2.8Å
510	V	54.6	Low	56.8	Low	55 Å²	55	65.4 Å²	65.4	33%	0.333	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	119.4	176.6	-175.5	0	0	0	0	108.5	P486 E516	P486-V510 HydrophobicContact CG-CG1 4.21Å; V510-E516 HydrophobicContact CG2-CG 4.42Å
511	W	58.6	Low	57.1	Low	29 Å²	29	64.5 Å²	64.5	11%	0.11	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	120	173.3	-172.5	-85.3	0	0	0	108.7	L460 V462 A478 L483 Q515 F517	L460-W511 HydrophobicContact CB-CZ3 4.12Å; V462-W511 HydrophobicContact CG2-CE3 3.97Å; V462-W511 HydrophobicContact CG2-CH2 4.46Å; V462-W511 HydrophobicContact CG2-CZ3 3.88Å; A478-W511 HydrophobicContact CB-CH2 3.71Å; A478-W511 HydrophobicContact CB-CZ2 3.36Å; A478-W511 HydrophobicContact CB-CZ3 4.46Å; L483-W511 HydrophobicContact CD1-CD2 4.22Å; L483-W511 HydrophobicContact CD1-CE3 3.32Å; L483-W511 HydrophobicContact CD1-CH2 4.3Å; L483-W511 HydrophobicContact CD1-CZ3 3.39Å; L483-W511 HydrophobicContact CD2-CD2 3.85Å; L483-W511 HydrophobicContact CD2-CE3 3.61Å; L483-W511 HydrophobicContact CD2-CH2 3.51Å; L483-W511 HydrophobicContact CD2-CZ2 3.77Å; L483-W511 HydrophobicContact CD2-CZ3 3.45Å; L483-W511 VanDerWaalsContact CD2-CZ3 3.45Å; L483-W511 HydrophobicContact CG-CE3 3.86Å; L483-W511 HydrophobicContact CG-CH2 3.96Å; L483-W511 HydrophobicContact CG-CZ3 3.53Å; W511-Q515 PolarHBondContact N-O 3.22Å; W511-Q515 PolarHBondContact O-N 2.92Å; W511-F517 HydrophobicContact CB-CD2 4.15Å; W511-F517 HydrophobicContact CB-CE2 3.75Å; W511-F517 HydrophobicContact CG-CE2 4.35Å
512	N	54.8	Low	57.5	Low	111 Å²	111	62.7 Å²	62.7	59%	0.594	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	38	77.3	175.4	-77.7	-11.6	0	0	0	115.4	S514	N512-S514 PolarHBondContact O-N 2.87Å; N512-S514 PolarHBondContact O-OG 2.98Å
513	K	51.2	Low	58.1	Low	172 Å²	172	61.8 Å²	61.8	75%	0.748	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.1	-10.5	169	-72.1	-171.3	177.2	-176.7	0	119.1	P486	P486-K513 HydrophobicContact CB-CG 3.93Å
514	S	58.1	Low	58.3	Low	101 Å²	101	66.9 Å²	66.9	71%	0.706	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	-144.3	-4	-169.3	66.1	0	0	0	0	115.5	N512	N512-S514 PolarHBondContact O-N 2.87Å; N512-S514 PolarHBondContact O-OG 2.98Å
515	Q	66.9	Low	58.3	Low	62 Å²	62	70.9 Å²	70.9	29%	0.29	38%	0.376	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	117.2	179.6	-66.4	177.4	2.5	0	0	111.6	M437 F477 W511 F517	M437-Q515 HydrophobicContact CE-CG 4.48Å; F477-Q515 VanDerWaalsContact CE1-OE1 3.26Å; F477-Q515 VanDerWaalsContact CZ-OE1 3.28Å; W511-Q515 PolarHBondContact N-O 3.22Å; W511-Q515 PolarHBondContact O-N 2.92Å; Q515-F517 HydrophobicContact CB-CE2 4.37Å
516	E	68.6	Low	58.7	Low	87 Å²	87	70.7 Å²	70.7	41%	0.407	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.9	135.5	177.2	-63.4	-175.2	177.3	0	0	110.1	M437 M438 W509 V510	M437-E516 CarbonylContact C-O 3.56Å; M437-E516 WeakPolarHBondContact CA-O 3.11Å; M437-E516 WeakPolarHBondContact CG-O 3.37Å; M438-E516 HydrophobicContact CB-CB 4.06Å; M438-E516 PolarHBondContact N-O 3.12Å; W509-E516 CarbonylContact O-C 3.55Å; W509-E516 WeakPolarHBondContact O-CA 3.17Å; V510-E516 HydrophobicContact CG2-CG 4.42Å
517	F	69.5	Low	59.1	Low	1 Å²	1	69.7 Å²	69.7	0%	0.004	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.2	128	173.5	-64.4	-90.6	0	0	0	109.9	A435 R436 M437 F449 I451 V462 F477 W509 W511 Q515	A435-F517 HydrophobicContact CB-CB 4.18Å; R436-F517 CarbonylContact O-C 3.56Å; R436-F517 VanDerWaalsContact O-CA 3.31Å; R436-F517 WeakPolarHBondContact O-CA 3.36Å; M437-F517 HydrophobicContact CB-CD1 4.02Å; M437-F517 HydrophobicContact CB-CE1 3.98Å; M437-F517 HydrophobicContact CE-CE1 3.58Å; M437-F517 HydrophobicContact CE-CE2 4.36Å; M437-F517 HydrophobicContact CE-CZ 3.44Å; M437-F517 VanDerWaalsContact CE-CZ 3.44Å; M437-F517 HydrophobicContact CG-CD1 4.3Å; M437-F517 HydrophobicContact CG-CE1 4.12Å; F449-F517 HydrophobicContact CB-CE1 4.3Å; F449-F517 HydrophobicContact CD1-CE1 4.24Å; F449-F517 AromaticContact CD2-CD1 3.91Å; F449-F517 HydrophobicContact CD2-CD1 3.91Å; F449-F517 AromaticContact CD2-CE1 3.5Å; F449-F517 HydrophobicContact CD2-CE1 3.5Å; F449-F517 HydrophobicContact CE1-CE1 4.49Å; F449-F517 HydrophobicContact CE2-CD1 4.44Å; F449-F517 AromaticContact CE2-CE1 3.8Å; F449-F517 HydrophobicContact CE2-CE1 3.8Å; F449-F517 HydrophobicContact CG-CD1 4.32Å; F449-F517 AromaticContact CG-CE1 3.74Å; F449-F517 HydrophobicContact CG-CE1 3.74Å; F449-F517 HydrophobicContact CZ-CE1 4.28Å; I451-F517 HydrophobicContact CD1-CD1 4.47Å; I451-F517 HydrophobicContact CD1-CD2 4.47Å; I451-F517 HydrophobicContact CD1-CG 4.26Å; V462-F517 HydrophobicContact CG1-CZ 4.49Å; F477-F517 HydrophobicContact CD1-CZ 4.28Å; F477-F517 AromaticContact CE1-CZ 3.86Å; F477-F517 HydrophobicContact CE1-CZ 3.86Å; W509-F517 HydrophobicContact CB-CB 4.12Å; W509-F517 HydrophobicContact CE3-CB 4.19Å; W509-F517 PolarHBondContact N-O 2.84Å; W509-F517 PolarHBondContact O-N 2.8Å; W511-F517 HydrophobicContact CB-CD2 4.15Å; W511-F517 HydrophobicContact CB-CE2 3.75Å; W511-F517 HydrophobicContact CG-CE2 4.35Å; Q515-F517 HydrophobicContact CB-CE2 4.37Å
518	K	67.4	Low	59.3	Low	103 Å²	103	74.6 Å²	74.6	45%	0.448	37%	0.367	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	130	169.4	-177.8	171.8	-178	175.2	0	109.9	A435 R436 M438	A435-K518 CarbonylContact C-O 3.48Å; A435-K518 VanDerWaalsContact CA-O 3.28Å; A435-K518 WeakPolarHBondContact CA-O 3.47Å; R436-K518 PolarHBondContact N-O 3.37Å; R436-K518 PolarHBondContact O-N 2.65Å; M438-K518 HydrophobicContact CG-CB 3.58Å; M438-K518 HydrophobicContact SD-CB 3.54Å; M438-K518 VanDerWaalsContact SD-CB 3.54Å; M438-K518 HydrophobicContact SD-CD 3.74Å; M438-K518 HydrophobicContact SD-CG 4.28Å
519	K	65.8	Low	59.5	Low	26 Å²	26	72.9 Å²	72.9	11%	0.113	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.4	128.5	178.4	-179	176.2	166.4	-168.7	0	110.5	F433 G507	F433-K519 HydrophobicContact CD1-CD 4.44Å; G507-K519 PolarHBondContact O-N 2.8Å
520	C	55.2	Low	59.4	Low	68 Å²	68	72.1 Å²	72.1	46%	0.459	35%	0.354	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	-36.5	-179.1	-61.5	0	0	0	0	113.5	K434 R436	K434-C520 PolarHBondContact O-N 3.23Å; R436-C520 VanDerWaalsContact CG-SG 3.58Å
521	S	57.7	Low	59.2	Low	58 Å²	58	73.2 Å²	73.2	41%	0.406	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-164.5	149.2	-179.5	179.5	0	0	0	0	112.9	K434	K434-S521 PolarHBondContact N-O 3.37Å; K434-S521 PolarHBondContact O-N 2.81Å
522	A	60.1	Low	59	Low	9 Å²	9	76.7 Å²	76.7	7%	0.074	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	150.7	174.9	0	0	0	0	0	112.7	F433 K526 K527	F433-A522 HydrophobicContact CD1-CB 4.13Å; F433-A522 HydrophobicContact CE1-CB 4.24Å; A522-K526 HydrophobicContact CB-CD 3.95Å; A522-K527 HydrophobicContact CB-CD 4.48Å; A522-K527 WeakPolarHBondContact O-CD 3.25Å; A522-K527 WeakPolarHBondContact O-CE 3.38Å; A522-K527 PolarHBondContact O-NZ 3.14Å
523	N	62.3	Low	58.8	Low	79 Å²	79	76.8 Å²	76.8	42%	0.422	38%	0.383	S	S	.	.			trans	-72.3	154.7	-176.5	-150.3	4	0	0	0	114.2	R432 H525 K526 K527	R432-N523 HydrophobicContact CB-CB 4.42Å; R432-N523 PolarHBondContact O-N 3.05Å; N523-H525 PolarHBondContact O-N 2.6Å; N523-K526 PolarHBondContact O-N 3.46Å; N523-K526 VanDerWaalsContact O-N 3.15Å; N523-K527 PolarHBondContact O-N 3.18Å
524	R	53.9	Low	58.8	Low	215 Å²	215	70 Å²	70	81%	0.811	36%	0.36	S	S	*	.	H	α-helix	trans	-58.7	-40.5	-175.8	-168.9	177.1	-178.3	177	0.2	112.7	K526 K527 K528	R524-K526 PolarHBondContact O-N 3Å; R524-K527 PolarHBondContact O-N 3.14Å; R524-K528 PolarHBondContact O-N 3.47Å
525	H	55.7	Low	58.6	Low	90 Å²	90	74.2 Å²	74.2	42%	0.417	37%	0.368	S	S	.	.	H	α-helix	trans	-63.8	-37.5	176.4	-78.5	-55.8	0	0	0	114	N523 K529	N523-H525 PolarHBondContact O-N 2.6Å; H525-K529 WeakPolarHBondContact O-CB 3.44Å; H525-K529 WeakPolarHBondContact O-CG 3.47Å; H525-K529 PolarHBondContact O-N 3.12Å; H525-K529 VanDerWaalsContact O-N 3.07Å
526	K	59	Low	58.1	Low	6 Å²	6	77.6 Å²	77.6	3%	0.026	38%	0.382	C	S	.	.	H	α-helix	trans	-60.8	-50.4	172.6	178.9	-175.5	-175.4	-160.7	0	109.5	L431 F433 N505 A522 N523 R524 K528 K529 C530	L431-K526 HydrophobicContact CD2-CB 4.05Å; L431-K526 HydrophobicContact CD2-CG 3.97Å; F433-K526 HydrophobicContact CD1-CD 4.4Å; F433-K526 HydrophobicContact CE1-CD 3.39Å; F433-K526 HydrophobicContact CZ-CD 3.53Å; N505-K526 PolarHBondContact OD1-NZ 2.79Å; A522-K526 HydrophobicContact CB-CD 3.95Å; N523-K526 PolarHBondContact O-N 3.46Å; N523-K526 VanDerWaalsContact O-N 3.15Å; R524-K526 PolarHBondContact O-N 3Å; K526-K528 VanDerWaalsContact C-N 3.34Å; K526-K528 PolarHBondContact O-N 3.38Å; K526-K529 CarbonylContact O-C 3.56Å; K526-K529 PolarHBondContact O-N 2.93Å; K526-K529 VanDerWaalsContact O-N 3.1Å; K526-C530 PolarHBondContact O-N 3.24Å; K526-C530 PolarHBondContact O-SG 2.78Å; K526-C530 VanDerWaalsContact O-SG 3.39Å
527	K	56.8	Low	57.6	Low	35 Å²	35	73.9 Å²	73.9	15%	0.152	36%	0.364	C	S	.	.	H	α-helix	trans	-60.3	-41.6	-175	-76.8	147.1	152.8	179.3	0	112.1	A522 N523 R524 C530 S531 R601	A522-K527 HydrophobicContact CB-CD 4.48Å; A522-K527 WeakPolarHBondContact O-CD 3.25Å; A522-K527 WeakPolarHBondContact O-CE 3.38Å; A522-K527 PolarHBondContact O-NZ 3.14Å; N523-K527 PolarHBondContact O-N 3.18Å; R524-K527 PolarHBondContact O-N 3.14Å; K527-C530 PolarHBondContact O-N 2.8Å; K527-S531 PolarHBondContact O-N 3.12Å; K527-S531 VanDerWaalsContact O-N 3.11Å; K527-S531 PolarHBondContact O-OG 2.86Å; K527-R601 VanDerWaalsContact CB-NH1 3.27Å; K527-R601 VanDerWaalsContact CD-NH1 3.29Å
528	K	56.7	Low	57.1	Low	153 Å²	153	77.7 Å²	77.7	67%	0.665	39%	0.389	S	S	*	.	H	α-helix	trans	-65.6	-38.7	173.4	-165.9	175.6	-177.7	179.1	0	112.5	R524 K526 S531 V532	R524-K528 PolarHBondContact O-N 3.47Å; K526-K528 VanDerWaalsContact C-N 3.34Å; K526-K528 PolarHBondContact O-N 3.38Å; K528-S531 PolarHBondContact O-OG 3.5Å; K528-V532 WeakPolarHBondContact O-CG2 3.4Å; K528-V532 PolarHBondContact O-N 2.91Å
529	K	58.2	Low	56.7	Low	51 Å²	51	74.6 Å²	74.6	22%	0.222	38%	0.377	C	S	.	.	H	α-helix	trans	-71.9	-35.7	176.3	-77.1	178.6	178.6	169.1	0	113.2	S428 N429 H525 K526 F533	S428-K529 PolarHBondContact O-NZ 3.08Å; N429-K529 WeakPolarHBondContact OD1-CE 3.25Å; N429-K529 PolarHBondContact OD1-NZ 2.95Å; H525-K529 WeakPolarHBondContact O-CB 3.44Å; H525-K529 WeakPolarHBondContact O-CG 3.47Å; H525-K529 PolarHBondContact O-N 3.12Å; H525-K529 VanDerWaalsContact O-N 3.07Å; K526-K529 CarbonylContact O-C 3.56Å; K526-K529 PolarHBondContact O-N 2.93Å; K526-K529 VanDerWaalsContact O-N 3.1Å; K529-F533 PolarHBondContact O-N 3.38Å
530	C	55.6	Low	56.4	Low	4 Å²	4	73.8 Å²	73.8	3%	0.027	37%	0.374	C	S	.	.	H	α-helix	trans	-70.7	-32.9	176.2	-69.3	0	0	0	0	112.4	K526 K527 F533 A534 F537 T540	K526-C530 PolarHBondContact O-N 3.24Å; K526-C530 PolarHBondContact O-SG 2.78Å; K526-C530 VanDerWaalsContact O-SG 3.39Å; K527-C530 PolarHBondContact O-N 2.8Å; C530-F533 CarbonylContact O-C 3.59Å; C530-A534 PolarHBondContact O-N 3.1Å; C530-F537 HydrophobicContact CB-CD2 4.07Å; C530-F537 HydrophobicContact CB-CE2 4.33Å; C530-T540 HydrophobicContact CB-CG2 3.84Å; C530-T540 PolarHBondContact O-OG1 2.75Å
531	S	51.1	Low	57.1	Low	78 Å²	78	73.2 Å²	73.2	55%	0.545	37%	0.367	S	S	.	.	H	α-helix	trans	-71.8	-36.4	173.6	60.3	0	0	0	0	112.7	K527 K528	K527-S531 PolarHBondContact O-N 3.12Å; K527-S531 VanDerWaalsContact O-N 3.11Å; K527-S531 PolarHBondContact O-OG 2.86Å; K528-S531 PolarHBondContact O-OG 3.5Å
532	V	54	Low	57.5	Low	102 Å²	102	71.8 Å²	71.8	62%	0.618	36%	0.356	S	S	*	.	H	α-helix	trans	-72.1	-29.7	176.5	172.4	0	0	0	0	112.2	K528	K528-V532 WeakPolarHBondContact O-CG2 3.4Å; K528-V532 PolarHBondContact O-N 2.91Å
533	F	50.4	Low	57.8	Low	112 Å²	112	73.2 Å²	73.2	49%	0.491	37%	0.371	S	S	.	.	T	Hydrogen-bonded Turn	trans	-114.1	52.7	178.2	-72.5	-81.9	0	0	0	112	K529 C530 E535 K536 F537	K529-F533 PolarHBondContact O-N 3.38Å; C530-F533 CarbonylContact O-C 3.59Å; F533-E535 VanDerWaalsContact C-N 3.29Å; F533-E535 PolarHBondContact O-N 2.97Å; F533-K536 HydrophobicContact CD1-CD 4.42Å; F533-K536 PolarHBondContact O-N 3.24Å; F533-F537 WeakPolarHBondContact O-CD2 3.33Å
534	A	52.2	Low	58.2	Low	30 Å²	30	72 Å²	72	25%	0.248	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-61.7	-31.1	-174.4	0	0	0	0	0	113.9	C530 K536 F537	C530-A534 PolarHBondContact O-N 3.1Å; A534-K536 VanDerWaalsContact C-N 3.35Å; A534-K536 PolarHBondContact O-N 3.04Å; A534-F537 CarbonylContact O-C 3.58Å; A534-F537 PolarHBondContact O-N 3.17Å; A534-F537 VanDerWaalsContact O-O 3.07Å
535	E	53.4	Low	59	Low	189 Å²	189	61.8 Å²	61.8	88%	0.883	33%	0.328	S	S	*	.	G	3₁₀ helix	trans	-66.5	-33.2	178.8	-66.5	-178.6	165	0	0	113.4	F533 F537	F533-E535 VanDerWaalsContact C-N 3.29Å; F533-E535 PolarHBondContact O-N 2.97Å; E535-F537 VanDerWaalsContact C-N 3.28Å; E535-F537 PolarHBondContact O-N 3.4Å
536	K	55.8	Low	59.8	Low	134 Å²	134	58.4 Å²	58.4	58%	0.583	31%	0.312	S	S	*	.	G	3₁₀ helix	trans	-81.2	-8.6	179.5	-69.1	-179.2	-179.9	172.7	0	112.7	F533 A534	F533-K536 HydrophobicContact CD1-CD 4.42Å; F533-K536 PolarHBondContact O-N 3.24Å; A534-K536 VanDerWaalsContact C-N 3.35Å; A534-K536 PolarHBondContact O-N 3.04Å
537	F	58.4	Low	60.4	Low	8 Å²	8	61.8 Å²	61.8	4%	0.035	34%	0.337	C	S	.	.			trans	-132.7	94.1	-175.6	-67.1	-65.9	0	0	0	110.9	K501 N505 C530 F533 A534 E535 I539 T540 N541	K501-F537 HydrophobicContact CD-CZ 4.48Å; K501-F537 HydrophobicContact CG-CE1 4.2Å; N505-F537 VanDerWaalsContact ND2-CD1 3.3Å; N505-F537 WeakPolarHBondContact ND2-CD1 3.32Å; C530-F537 HydrophobicContact CB-CD2 4.07Å; C530-F537 HydrophobicContact CB-CE2 4.33Å; F533-F537 WeakPolarHBondContact O-CD2 3.33Å; A534-F537 CarbonylContact O-C 3.58Å; A534-F537 PolarHBondContact O-N 3.17Å; A534-F537 VanDerWaalsContact O-O 3.07Å; E535-F537 VanDerWaalsContact C-N 3.28Å; E535-F537 PolarHBondContact O-N 3.4Å; F537-I539 VanDerWaalsContact C-N 3.26Å; F537-I539 PolarHBondContact O-N 3.33Å; F537-I539 VanDerWaalsContact O-N 3.17Å; F537-T540 WeakPolarHBondContact CB-OG1 3.48Å; F537-T540 PolarHBondContact O-N 3.2Å; F537-T540 PolarHBondContact O-OG1 2.75Å; F537-N541 PolarHBondContact O-N 2.85Å
538	P	58.8	Low	61.1	Low	82 Å²	82	63.7 Å²	63.7	53%	0.532	35%	0.345	S	S	.	.	G	3₁₀ helix	trans	-55.7	-39	-176.1	-26.1	33.4	0	0	0	113.4	T540 N541 T544	P538-T540 PolarHBondContact O-N 3.37Å; P538-T540 VanDerWaalsContact O-N 3.16Å; P538-N541 WeakPolarHBondContact O-CB 3.49Å; P538-N541 PolarHBondContact O-N 3.27Å; P538-N541 VanDerWaalsContact O-N 3.12Å; P538-T544 PolarHBondContact O-OG1 3.3Å
539	I	59.6	Low	61.8	Low	38 Å²	38	57 Å²	57	20%	0.195	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-71.2	-8.7	-177.3	-67.3	159.3	0	0	0	113.3	N505 F537 H594 E595	N505-I539 HydrophobicContact CB-CB 4.34Å; N505-I539 HydrophobicContact CB-CD1 3.36Å; N505-I539 HydrophobicContact CB-CG1 4.39Å; F537-I539 VanDerWaalsContact C-N 3.26Å; F537-I539 PolarHBondContact O-N 3.33Å; F537-I539 VanDerWaalsContact O-N 3.17Å; I539-H594 HydrophobicContact CG2-CB 4.09Å; I539-E595 HydrophobicContact CG2-CG 4.2Å
540	T	60	Low	62.4	Low	8 Å²	8	61 Å²	61	5%	0.049	33%	0.331	C	S	.	.	G	3₁₀ helix	trans	-110.5	-1.3	173.8	48.2	0	0	0	0	113.7	C530 F537 P538 V542 H594 V598	C530-T540 HydrophobicContact CB-CG2 3.84Å; C530-T540 PolarHBondContact O-OG1 2.75Å; F537-T540 WeakPolarHBondContact CB-OG1 3.48Å; F537-T540 PolarHBondContact O-N 3.2Å; F537-T540 PolarHBondContact O-OG1 2.75Å; P538-T540 PolarHBondContact O-N 3.37Å; P538-T540 VanDerWaalsContact O-N 3.16Å; T540-V542 PolarHBondContact O-N 2.88Å; T540-H594 VanDerWaalsContact CG2-CE1 3.44Å; T540-H594 WeakPolarHBondContact CG2-CE1 3.28Å; T540-V598 HydrophobicContact CG2-CG2 4.11Å
541	N	68.9	Low	63	Low	56 Å²	56	65.5 Å²	65.5	30%	0.299	36%	0.362	S	S	.	.			trans	-76.9	109.1	179.2	-174.1	-16.2	0	0	0	110	F537 P538 G543 T544 I545	F537-N541 PolarHBondContact O-N 2.85Å; P538-N541 WeakPolarHBondContact O-CB 3.49Å; P538-N541 PolarHBondContact O-N 3.27Å; P538-N541 VanDerWaalsContact O-N 3.12Å; N541-G543 PolarHBondContact O-N 3.28Å; N541-G543 PolarHBondContact OD1-N 3.3Å; N541-T544 HydrophobicContact CB-CG2 4.17Å; N541-T544 PolarHBondContact O-N 3.21Å; N541-T544 VanDerWaalsContact O-N 3.16Å; N541-T544 PolarHBondContact O-OG1 2.8Å; N541-I545 WeakPolarHBondContact O-CG1 3.2Å; N541-I545 PolarHBondContact O-N 2.81Å
542	V	65.9	Low	63.9	Low	28 Å²	28	63 Å²	63	17%	0.17	34%	0.342	C	S	.	.	H	α-helix	trans	-62.3	-28.5	-178.1	-170.3	0	0	0	0	112	T540 I545 F546 V598 L599 R602	T540-V542 PolarHBondContact O-N 2.88Å; V542-I545 PolarHBondContact O-N 3.18Å; V542-F546 HydrophobicContact CG1-CD2 3.65Å; V542-F546 HydrophobicContact CG1-CE2 3.36Å; V542-F546 HydrophobicContact CG1-CG 4.46Å; V542-F546 HydrophobicContact CG1-CZ 3.92Å; V542-F546 WeakPolarHBondContact O-CB 3.28Å; V542-F546 VanDerWaalsContact O-CD2 3.25Å; V542-F546 WeakPolarHBondContact O-CD2 3.38Å; V542-F546 WeakPolarHBondContact O-CG 3.3Å; V542-F546 PolarHBondContact O-N 3.24Å; V542-V598 HydrophobicContact CG2-CG1 4.07Å; V542-L599 HydrophobicContact CG1-CD2 4.46Å; V542-R602 VanDerWaalsContact CG1-NH1 3.3Å
543	G	68.1	Low	64.3	Low	39 Å²	39	61 Å²	61	40%	0.402	33%	0.333	S	S	.	.	H	α-helix	trans	-62.8	-46.4	174.5	0	0	0	0	0	112.6	N541 I545 F546 S547	N541-G543 PolarHBondContact O-N 3.28Å; N541-G543 PolarHBondContact OD1-N 3.3Å; G543-I545 VanDerWaalsContact C-N 3.32Å; G543-I545 PolarHBondContact O-N 2.84Å; G543-F546 PolarHBondContact O-N 3.1Å; G543-S547 PolarHBondContact O-N 3.22Å; G543-S547 PolarHBondContact O-OG 2.89Å; G543-S547 VanDerWaalsContact O-OG 3.06Å
544	T	69.6	Low	65	Low	54 Å²	54	62.9 Å²	62.9	33%	0.331	34%	0.343	S	S	.	.	H	α-helix	trans	-66.2	-35	176.7	63.5	0	0	0	0	112.5	P538 N541 S547 K548	P538-T544 PolarHBondContact O-OG1 3.3Å; N541-T544 HydrophobicContact CB-CG2 4.17Å; N541-T544 PolarHBondContact O-N 3.21Å; N541-T544 VanDerWaalsContact O-N 3.16Å; N541-T544 PolarHBondContact O-OG1 2.8Å; T544-S547 PolarHBondContact O-N 3.1Å; T544-K548 WeakPolarHBondContact O-CG 3.37Å; T544-K548 PolarHBondContact O-N 3.32Å
545	I	71.5	Confident	65.5	Low	0 Å²	0	67.5 Å²	67.5	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-66.9	-43.1	175.7	-62.3	170	0	0	0	110	N541 V542 G543 K548 L549 L591 E595 V598 L599	N541-I545 WeakPolarHBondContact O-CG1 3.2Å; N541-I545 PolarHBondContact O-N 2.81Å; V542-I545 PolarHBondContact O-N 3.18Å; G543-I545 VanDerWaalsContact C-N 3.32Å; G543-I545 PolarHBondContact O-N 2.84Å; I545-K548 PolarHBondContact O-N 3.11Å; I545-L549 HydrophobicContact CG2-CD1 4.3Å; I545-L549 WeakPolarHBondContact O-CG 3.47Å; I545-L549 PolarHBondContact O-N 3.5Å; I545-L591 HydrophobicContact CG2-CD2 4.01Å; I545-E595 HydrophobicContact CD1-CB 3.78Å; I545-E595 HydrophobicContact CD1-CG 3.8Å; I545-E595 HydrophobicContact CG1-CB 3.93Å; I545-E595 HydrophobicContact CG1-CG 3.77Å; I545-E595 HydrophobicContact CG2-CB 4.43Å; I545-V598 HydrophobicContact CD1-CB 4.4Å; I545-V598 HydrophobicContact CD1-CG1 4.29Å; I545-L599 HydrophobicContact CG2-CD1 3.56Å; I545-L599 HydrophobicContact CG2-CD2 3.85Å; I545-L599 HydrophobicContact CG2-CG 3.76Å
546	F	70.9	Confident	66	Low	19 Å²	19	62.1 Å²	62.1	8%	0.083	34%	0.337	C	S	.	.	H	α-helix	trans	-65.8	-36.7	173.8	-75.8	-45.3	0	0	0	112.6	V542 G543 K548 L549 R550 L599 F603 E735 I736	V542-F546 HydrophobicContact CG1-CD2 3.65Å; V542-F546 HydrophobicContact CG1-CE2 3.36Å; V542-F546 HydrophobicContact CG1-CG 4.46Å; V542-F546 HydrophobicContact CG1-CZ 3.92Å; V542-F546 WeakPolarHBondContact O-CB 3.28Å; V542-F546 VanDerWaalsContact O-CD2 3.25Å; V542-F546 WeakPolarHBondContact O-CD2 3.38Å; V542-F546 WeakPolarHBondContact O-CG 3.3Å; V542-F546 PolarHBondContact O-N 3.24Å; G543-F546 PolarHBondContact O-N 3.1Å; F546-K548 VanDerWaalsContact C-N 3.34Å; F546-K548 PolarHBondContact O-N 3.07Å; F546-L549 HydrophobicContact CD1-CD1 4.38Å; F546-L549 CarbonylContact O-C 3.56Å; F546-L549 PolarHBondContact O-N 3.23Å; F546-R550 WeakPolarHBondContact O-CB 3.42Å; F546-R550 VanDerWaalsContact O-CG 3.25Å; F546-R550 WeakPolarHBondContact O-CG 3.46Å; F546-R550 PolarHBondContact O-N 3.46Å; F546-L599 HydrophobicContact CE1-CD2 4.17Å; F546-F603 HydrophobicContact CZ-CE2 4.47Å; F546-F603 HydrophobicContact CZ-CZ 4.14Å; F546-E735 HydrophobicContact CZ-CB 4.42Å; F546-I736 HydrophobicContact CD1-CD1 4.34Å; F546-I736 HydrophobicContact CD1-CG1 3.76Å; F546-I736 HydrophobicContact CE1-CD1 4.07Å; F546-I736 HydrophobicContact CE1-CG1 3.55Å
547	S	72.3	Confident	66.4	Low	78 Å²	78	57.4 Å²	57.4	55%	0.545	32%	0.317	S	S	.	.	H	α-helix	trans	-60.4	-42.9	172.8	-58.7	0	0	0	0	111.9	G543 T544 R550 S551	G543-S547 PolarHBondContact O-N 3.22Å; G543-S547 PolarHBondContact O-OG 2.89Å; G543-S547 VanDerWaalsContact O-OG 3.06Å; T544-S547 PolarHBondContact O-N 3.1Å; S547-R550 PolarHBondContact O-N 3.39Å; S547-S551 PolarHBondContact O-N 2.79Å; S547-S551 VanDerWaalsContact O-N 3.14Å; S547-S551 PolarHBondContact O-OG 2.69Å
548	K	72.8	Confident	66.7	Low	74 Å²	74	61.2 Å²	61.2	32%	0.322	34%	0.338	S	S	.	.	H	α-helix	trans	-65.8	-34.9	174.5	-69.8	176.7	-179	-178.3	0	113.2	T544 I545 F546 S551 L591 E595	T544-K548 WeakPolarHBondContact O-CG 3.37Å; T544-K548 PolarHBondContact O-N 3.32Å; I545-K548 PolarHBondContact O-N 3.11Å; F546-K548 VanDerWaalsContact C-N 3.34Å; F546-K548 PolarHBondContact O-N 3.07Å; K548-S551 PolarHBondContact O-OG 3.35Å; K548-L591 HydrophobicContact CB-CD2 4.01Å; K548-L591 HydrophobicContact CD-CD2 3.85Å; K548-E595 IonicContact NZ-OE1 2.78Å; K548-E595 PolarHBondContact NZ-OE1 3.04Å; K548-E595 IonicContact NZ-OE2 3.18Å; K548-E595 PolarHBondContact NZ-OE2 3.24Å
549	L	70.6	Confident	67	Low	13 Å²	13	62.9 Å²	62.9	7%	0.068	34%	0.339	C	S	.	.	H	α-helix	trans	-75	-28.5	174.7	-75.5	174.2	0	0	0	112.8	I545 F546 I552 L591 L599 I736	I545-L549 HydrophobicContact CG2-CD1 4.3Å; I545-L549 WeakPolarHBondContact O-CG 3.47Å; I545-L549 PolarHBondContact O-N 3.5Å; F546-L549 HydrophobicContact CD1-CD1 4.38Å; F546-L549 CarbonylContact O-C 3.56Å; F546-L549 PolarHBondContact O-N 3.23Å; L549-I552 HydrophobicContact CD2-CD1 3.89Å; L549-I552 WeakPolarHBondContact O-CD1 3.29Å; L549-I552 WeakPolarHBondContact O-CG1 3.26Å; L549-L591 HydrophobicContact CD1-CD1 4.48Å; L549-L591 HydrophobicContact CD2-CD1 3.5Å; L549-L591 VanDerWaalsContact CD2-CD1 3.5Å; L549-L591 HydrophobicContact CG-CD1 3.91Å; L549-L599 HydrophobicContact CD1-CD1 3.7Å; L549-L599 HydrophobicContact CD1-CD2 4.46Å; L549-I736 HydrophobicContact CD1-CD1 4.01Å
550	R	70.1	Confident	67.3	Low	136 Å²	136	61.7 Å²	61.7	51%	0.513	33%	0.333	S	S	.	.	H	α-helix	trans	-77.5	-22.9	176	-75	176.4	-169.7	-173.4	3.4	112.9	F546 S547 I552	F546-R550 WeakPolarHBondContact O-CB 3.42Å; F546-R550 VanDerWaalsContact O-CG 3.25Å; F546-R550 WeakPolarHBondContact O-CG 3.46Å; F546-R550 PolarHBondContact O-N 3.46Å; S547-R550 PolarHBondContact O-N 3.39Å; R550-I552 PolarHBondContact O-N 3.15Å; R550-I552 VanDerWaalsContact O-N 3.14Å
551	S	68.3	Low	67.5	Low	98 Å²	98	66.9 Å²	66.9	69%	0.685	35%	0.352	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.1	12.9	174.8	54.3	0	0	0	0	114.8	S547 K548	S547-S551 PolarHBondContact O-N 2.79Å; S547-S551 VanDerWaalsContact O-N 3.14Å; S547-S551 PolarHBondContact O-OG 2.69Å; K548-S551 PolarHBondContact O-OG 3.35Å
552	I	70.4	Confident	67.3	Low	24 Å²	24	66.6 Å²	66.6	12%	0.123	36%	0.357	C	S	.	.	S	Bend	trans	-87	139.9	179.6	-59.3	171.3	0	0	0	110.3	L549 R550 K556 Q557 C589	L549-I552 HydrophobicContact CD2-CD1 3.89Å; L549-I552 WeakPolarHBondContact O-CD1 3.29Å; L549-I552 WeakPolarHBondContact O-CG1 3.26Å; R550-I552 PolarHBondContact O-N 3.15Å; R550-I552 VanDerWaalsContact O-N 3.14Å; I552-K556 HydrophobicContact CG2-CB 3.5Å; I552-K556 VanDerWaalsContact CG2-CB 3.5Å; I552-K556 HydrophobicContact CG2-CD 4.15Å; I552-K556 HydrophobicContact CG2-CG 4.46Å; I552-Q557 HydrophobicContact CG2-CG 4.34Å; I552-Q557 PolarHBondContact O-NE2 3.49Å; I552-C589 HydrophobicContact CD1-CB 4.27Å; I552-C589 WeakPolarHBondContact CD1-SG 3.17Å; I552-C589 HydrophobicContact CG1-CB 4.35Å; I552-C589 VanDerWaalsContact CG1-SG 3.51Å
553	S	61.4	Low	67.2	Low	61 Å²	61	70.3 Å²	70.3	43%	0.427	37%	0.371	S	S	.	.			trans	-63	148.7	176.4	76.4	0	0	0	0	112.9	D555 K556 Q557	S553-D555 PolarHBondContact O-N 3.35Å; S553-K556 PolarHBondContact O-N 3.42Å; S553-K556 VanDerWaalsContact O-N 3.11Å; S553-Q557 WeakPolarHBondContact O-CG 3.41Å; S553-Q557 PolarHBondContact O-N 3.45Å
554	E	65.1	Low	66.9	Low	151 Å²	151	69.4 Å²	69.4	71%	0.706	36%	0.357	S	S	*	.	H	α-helix	trans	-55.9	-33.5	-177.6	-68.8	-177	165.4	0	0	113.2	K556 Q557 N558	E554-K556 PolarHBondContact O-N 3.24Å; E554-Q557 WeakPolarHBondContact O-CB 3.48Å; E554-Q557 PolarHBondContact O-N 3.17Å; E554-Q557 VanDerWaalsContact O-N 3.17Å; E554-N558 PolarHBondContact O-N 3.34Å; E554-N558 PolarHBondContact O-ND2 3.17Å
555	D	63.4	Low	66.5	Low	128 Å²	128	70.5 Å²	70.5	68%	0.684	37%	0.367	S	S	*	.	H	α-helix	trans	-60.7	-43.4	177.3	-58.3	-38.8	0	0	0	112.7	S553 Q557 N558 E559	S553-D555 PolarHBondContact O-N 3.35Å; D555-Q557 VanDerWaalsContact C-N 3.34Å; D555-N558 PolarHBondContact O-N 3.23Å; D555-E559 PolarHBondContact O-N 3.06Å; D555-E559 VanDerWaalsContact O-N 3.12Å
556	K	64	Low	65.9	Low	76 Å²	76	78.2 Å²	78.2	33%	0.33	40%	0.403	S	S	.	.	H	α-helix	trans	-74.3	-26.4	177.3	-71.4	-177.8	176.1	-173.8	0	112	I552 S553 E554 N558 E559 V560 L587	I552-K556 HydrophobicContact CG2-CB 3.5Å; I552-K556 VanDerWaalsContact CG2-CB 3.5Å; I552-K556 HydrophobicContact CG2-CD 4.15Å; I552-K556 HydrophobicContact CG2-CG 4.46Å; S553-K556 PolarHBondContact O-N 3.42Å; S553-K556 VanDerWaalsContact O-N 3.11Å; E554-K556 PolarHBondContact O-N 3.24Å; K556-N558 VanDerWaalsContact C-N 3.33Å; K556-E559 PolarHBondContact O-N 3.25Å; K556-V560 WeakPolarHBondContact O-CG2 3.43Å; K556-V560 PolarHBondContact O-N 3.23Å; K556-L587 PolarHBondContact NZ-O 3.09Å
557	Q	63.4	Low	65.1	Low	35 Å²	35	80.9 Å²	80.9	16%	0.164	42%	0.418	C	S	.	.	H	α-helix	trans	-67.7	-36.7	173	-59.8	178.8	14	0	0	111.2	I552 S553 E554 D555 V560 R561 F737	I552-Q557 HydrophobicContact CG2-CG 4.34Å; I552-Q557 PolarHBondContact O-NE2 3.49Å; S553-Q557 WeakPolarHBondContact O-CG 3.41Å; S553-Q557 PolarHBondContact O-N 3.45Å; E554-Q557 WeakPolarHBondContact O-CB 3.48Å; E554-Q557 PolarHBondContact O-N 3.17Å; E554-Q557 VanDerWaalsContact O-N 3.17Å; D555-Q557 VanDerWaalsContact C-N 3.34Å; Q557-V560 PolarHBondContact O-N 3.36Å; Q557-R561 WeakPolarHBondContact O-CG 3.2Å; Q557-R561 PolarHBondContact O-N 3.14Å; Q557-R561 VanDerWaalsContact O-N 3.09Å; Q557-F737 HydrophobicContact CB-CE1 3.9Å; Q557-F737 HydrophobicContact CB-CZ 4.14Å; Q557-F737 VanDerWaalsContact CD-CE1 3.43Å; Q557-F737 HydrophobicContact CG-CE1 3.58Å; Q557-F737 HydrophobicContact CG-CZ 4.04Å
558	N	65.4	Low	64.2	Low	88 Å²	88	79.6 Å²	79.6	47%	0.471	41%	0.407	S	S	.	.	H	α-helix	trans	-69.3	-36.9	173.9	-68.2	-28.5	0	0	0	111.9	E554 D555 K556 R561 A562	E554-N558 PolarHBondContact O-N 3.34Å; E554-N558 PolarHBondContact O-ND2 3.17Å; D555-N558 PolarHBondContact O-N 3.23Å; K556-N558 VanDerWaalsContact C-N 3.33Å; N558-R561 PolarHBondContact O-N 3.44Å; N558-A562 WeakPolarHBondContact O-CB 3.19Å; N558-A562 PolarHBondContact O-N 3.11Å
559	E	66.1	Low	63.1	Low	116 Å²	116	80.5 Å²	80.5	54%	0.542	42%	0.42	S	S	.	.	H	α-helix	trans	-61.6	-42.4	172	-164.7	176.3	-171.9	0	0	111.8	D555 K556 R561 A562 F563	D555-E559 PolarHBondContact O-N 3.06Å; D555-E559 VanDerWaalsContact O-N 3.12Å; K556-E559 PolarHBondContact O-N 3.25Å; E559-R561 PolarHBondContact O-N 3.02Å; E559-A562 PolarHBondContact O-N 3.37Å; E559-F563 WeakPolarHBondContact O-CB 3.33Å; E559-F563 PolarHBondContact O-N 3.32Å
560	V	64.4	Low	62.1	Low	14 Å²	14	86.9 Å²	86.9	9%	0.085	46%	0.459	C	S	.	.	H	α-helix	trans	-61.1	-43.1	173.2	173.2	0	0	0	0	111.8	K556 Q557 L564 L583 L587	K556-V560 WeakPolarHBondContact O-CG2 3.43Å; K556-V560 PolarHBondContact O-N 3.23Å; Q557-V560 PolarHBondContact O-N 3.36Å; V560-L564 HydrophobicContact CG1-CD1 3.89Å; V560-L564 HydrophobicContact CG1-CG 4.44Å; V560-L564 WeakPolarHBondContact O-CB 3.4Å; V560-L564 WeakPolarHBondContact O-CG 3.2Å; V560-L564 PolarHBondContact O-N 2.99Å; V560-L583 HydrophobicContact CG1-CD2 4.38Å; V560-L583 HydrophobicContact CG2-CD2 4.27Å; V560-L587 HydrophobicContact CG2-CD1 3.5Å; V560-L587 VanDerWaalsContact CG2-CD1 3.5Å; V560-L587 HydrophobicContact CG2-CD2 3.37Å; V560-L587 HydrophobicContact CG2-CG 4.03Å
561	R	65.4	Low	61.2	Low	117 Å²	117	88.1 Å²	88.1	44%	0.442	48%	0.476	S	S	.	.	H	α-helix	trans	-64.6	-42.2	177	-71.7	175.7	-177.1	171.9	1.4	111.9	Q557 N558 E559 L564 S565	Q557-R561 WeakPolarHBondContact O-CG 3.2Å; Q557-R561 PolarHBondContact O-N 3.14Å; Q557-R561 VanDerWaalsContact O-N 3.09Å; N558-R561 PolarHBondContact O-N 3.44Å; E559-R561 PolarHBondContact O-N 3.02Å; R561-L564 PolarHBondContact O-N 2.55Å; R561-S565 PolarHBondContact O-N 2.93Å; R561-S565 PolarHBondContact O-OG 3.19Å
562	A	64.6	Low	60.4	Low	49 Å²	49	87.5 Å²	87.5	41%	0.405	47%	0.471	S	S	.	.	H	α-helix	trans	-69.2	-34.7	178.9	0	0	0	0	0	113.1	N558 E559 S565 H566	N558-A562 WeakPolarHBondContact O-CB 3.19Å; N558-A562 PolarHBondContact O-N 3.11Å; E559-A562 PolarHBondContact O-N 3.37Å; A562-S565 PolarHBondContact O-OG 3.42Å; A562-H566 PolarHBondContact O-N 3.39Å; A562-H566 PolarHBondContact O-ND1 2.96Å; A562-H566 VanDerWaalsContact O-ND1 3.07Å
563	F	62.6	Low	59.8	Low	106 Å²	106	87.5 Å²	87.5	47%	0.465	48%	0.476	S	S	.	.	H	α-helix	trans	-74.7	-33.4	176.8	-145.6	-85.7	0	0	0	112.1	E559 N567 L583	E559-F563 WeakPolarHBondContact O-CB 3.33Å; E559-F563 PolarHBondContact O-N 3.32Å; F563-N567 WeakPolarHBondContact CD1-ND2 3.36Å; F563-N567 WeakPolarHBondContact CE1-ND2 3.13Å; F563-N567 PolarHBondContact O-N 3.07Å; F563-N567 PolarHBondContact O-ND2 3.46Å; F563-L583 HydrophobicContact CB-CD1 4.11Å; F563-L583 HydrophobicContact CD1-CD1 3.72Å; F563-L583 HydrophobicContact CD1-CG 4.35Å; F563-L583 HydrophobicContact CG-CD1 4.24Å
564	L	62.1	Low	59.8	Low	20 Å²	20	87.2 Å²	87.2	11%	0.105	47%	0.468	C	S	.	.	H	α-helix	trans	-70.3	-35.4	173.1	-73	173.9	0	0	0	112.1	V560 R561 T568 V575 L583 C729 V733	V560-L564 HydrophobicContact CG1-CD1 3.89Å; V560-L564 HydrophobicContact CG1-CG 4.44Å; V560-L564 WeakPolarHBondContact O-CB 3.4Å; V560-L564 WeakPolarHBondContact O-CG 3.2Å; V560-L564 PolarHBondContact O-N 2.99Å; R561-L564 PolarHBondContact O-N 2.55Å; L564-T568 VanDerWaalsContact O-CG2 3.25Å; L564-T568 WeakPolarHBondContact O-CG2 3.47Å; L564-T568 PolarHBondContact O-OG1 3.37Å; L564-V575 HydrophobicContact CD2-CG2 4.38Å; L564-L583 HydrophobicContact CD2-CD1 4.26Å; L564-L583 HydrophobicContact CG-CD1 4.44Å; L564-C729 HydrophobicContact CD1-CB 4.42Å; L564-C729 HydrophobicContact CD2-CB 3.55Å; L564-V733 HydrophobicContact CD1-CG2 3.32Å
565	S	61.4	Low	59.9	Low	77 Å²	77	80.6 Å²	80.6	54%	0.538	44%	0.437	S	S	.	.	H	α-helix	trans	-71.1	-30.4	174.6	65	0	0	0	0	113.3	R561 A562 T568	R561-S565 PolarHBondContact O-N 2.93Å; R561-S565 PolarHBondContact O-OG 3.19Å; A562-S565 PolarHBondContact O-OG 3.42Å; S565-T568 PolarHBondContact O-OG1 3.2Å
566	H	59.2	Low	60.2	Low	163 Å²	163	77 Å²	77	76%	0.755	42%	0.422	S	S	*	.	H	α-helix	trans	-77.9	-30.1	179	-89.9	80.9	0	0	0	114.2	A562	A562-H566 PolarHBondContact O-N 3.39Å; A562-H566 PolarHBondContact O-ND1 2.96Å; A562-H566 VanDerWaalsContact O-ND1 3.07Å
567	N	54.5	Low	60.5	Low	75 Å²	75	75.3 Å²	75.3	40%	0.401	42%	0.415	S	S	.	.	H	α-helix	trans	-100.6	2.6	-175.2	-71	-69.7	0	0	0	114.6	F563 P569	F563-N567 WeakPolarHBondContact CD1-ND2 3.36Å; F563-N567 WeakPolarHBondContact CE1-ND2 3.13Å; F563-N567 PolarHBondContact O-N 3.07Å; F563-N567 PolarHBondContact O-ND2 3.46Å; N567-P569 WeakPolarHBondContact O-CD 3.4Å
568	T	53.1	Low	60.9	Low	51 Å²	51	79.6 Å²	79.6	31%	0.313	44%	0.435	S	S	.	.			trans	-86.3	115.3	172.8	46	0	0	0	0	110.6	L564 S565 V570	L564-T568 VanDerWaalsContact O-CG2 3.25Å; L564-T568 WeakPolarHBondContact O-CG2 3.47Å; L564-T568 PolarHBondContact O-OG1 3.37Å; S565-T568 PolarHBondContact O-OG1 3.2Å; T568-V570 PolarHBondContact O-N 2.76Å
569	P	48.8	Very low	61.1	Low	92 Å²	92	77.9 Å²	77.9	60%	0.597	43%	0.43	S	S	*	.			trans	-60.5	135.1	161.3	25.3	-30.3	0	0	0	108.4	N567 N571	N567-P569 WeakPolarHBondContact O-CD 3.4Å; P569-N571 PolarHBondContact O-N 2.77Å; P569-N571 VanDerWaalsContact O-N 3.12Å
570	V	50.1	Low	61.4	Low	147 Å²	147	72.7 Å²	72.7	89%	0.891	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-48.8	119.1	-173	178.4	0	0	0	0	110.1	T568	T568-V570 PolarHBondContact O-N 2.76Å
571	N	51	Low	61.8	Low	162 Å²	162	76.3 Å²	76.3	87%	0.866	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.6	17.7	167.9	-125.1	11.1	0	0	0	121.3	P569	P569-N571 PolarHBondContact O-N 2.77Å; P569-N571 VanDerWaalsContact O-N 3.12Å
572	C	52.6	Low	62.2	Low	86 Å²	86	75.7 Å²	75.7	58%	0.581	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.4	-11.7	172.9	-90.5	0	0	0	0	117.1	F574	C572-F574 HydrophobicContact CB-CD2 4.12Å; C572-F574 WeakPolarHBondContact O-CD2 3.46Å; C572-F574 WeakPolarHBondContact O-CE2 3.23Å; C572-F574 PolarHBondContact O-N 3.24Å
573	G	57.2	Low	62.6	Low	23 Å²	23	74.6 Å²	74.6	24%	0.237	41%	0.411	C	S	.	.			trans	63.2	11.1	170.8	0	0	0	0	0	117	C729	G573-C729 PolarHBondContact O-N 3.12Å
574	F	62	Low	62.9	Low	55 Å²	55	70 Å²	70	24%	0.241	39%	0.391	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	138.2	-178.8	-64.2	-70.7	0	0	0	112.6	C572 E605 N726 I727 N728	C572-F574 HydrophobicContact CB-CD2 4.12Å; C572-F574 WeakPolarHBondContact O-CD2 3.46Å; C572-F574 WeakPolarHBondContact O-CE2 3.23Å; C572-F574 PolarHBondContact O-N 3.24Å; F574-E605 HydrophobicContact CE1-CB 4.39Å; F574-N726 HydrophobicContact CB-CB 3.79Å; F574-N726 HydrophobicContact CD1-CB 3.74Å; F574-N726 HydrophobicContact CG-CB 3.8Å; F574-I727 CarbonylContact C-O 3.59Å; F574-I727 VanDerWaalsContact CA-O 3.28Å; F574-I727 WeakPolarHBondContact CA-O 3.32Å; F574-N728 HydrophobicContact CD1-CB 4.15Å; F574-N728 HydrophobicContact CE1-CB 3.89Å
575	V	67.3	Low	63.4	Low	12 Å²	12	72.6 Å²	72.6	7%	0.073	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	147.8	176.6	-177.7	0	0	0	0	110.7	L564 F580 I727 C729	L564-V575 HydrophobicContact CD2-CG2 4.38Å; V575-F580 HydrophobicContact CG1-CB 4.48Å; V575-I727 PolarHBondContact N-O 2.96Å; V575-I727 PolarHBondContact O-N 3.37Å; V575-C729 HydrophobicContact CG2-CB 4.2Å; V575-C729 VanDerWaalsContact CG2-SG 3.56Å
576	S	69.1	Low	63.7	Low	53 Å²	53	71.6 Å²	71.6	37%	0.371	41%	0.406	S	S	.	.			trans	-69.2	149.8	176	88.5	0	0	0	0	112.3	E578 S579 F580	S576-E578 VanDerWaalsContact C-N 3.3Å; S576-E578 PolarHBondContact O-N 3.48Å; S576-S579 PolarHBondContact O-N 3.05Å; S576-S579 PolarHBondContact OG-N 3.27Å; S576-S579 PolarHBondContact OG-OG 3.43Å; S576-F580 WeakPolarHBondContact O-CB 3.41Å; S576-F580 PolarHBondContact O-N 3.03Å
577	F	69.5	Low	64.1	Low	40 Å²	40	64.7 Å²	64.7	18%	0.175	37%	0.374	C	S	.	.	H	α-helix	trans	-61.6	-34.5	-178.6	175.9	-100.2	0	0	0	113.9	R581 L597 A600 L724 I727	F577-R581 VanDerWaalsContact O-CB 3.31Å; F577-R581 WeakPolarHBondContact O-CB 3.31Å; F577-R581 PolarHBondContact O-N 3.39Å; F577-L597 HydrophobicContact CZ-CD1 4.42Å; F577-A600 HydrophobicContact CD2-CB 3.68Å; F577-A600 HydrophobicContact CE2-CB 3.64Å; F577-L724 HydrophobicContact CB-CB 4.02Å; F577-L724 WeakPolarHBondContact CB-O 3.47Å; F577-L724 HydrophobicContact CD2-CD1 3.92Å; F577-L724 HydrophobicContact CE2-CD1 4.16Å; F577-L724 HydrophobicContact CG-CB 4.32Å; F577-L724 HydrophobicContact CG-CD1 4.24Å; F577-I727 HydrophobicContact CB-CD1 4.19Å; F577-I727 HydrophobicContact CD2-CD1 4.07Å
578	E	71.7	Confident	64.5	Low	125 Å²	125	67.8 Å²	67.8	58%	0.584	39%	0.391	S	S	*	.	H	α-helix	trans	-70.3	-46.8	-179.5	-65.1	-176.1	165.7	0	0	110.5	S576 F580 R581 D582	S576-E578 VanDerWaalsContact C-N 3.3Å; S576-E578 PolarHBondContact O-N 3.48Å; E578-F580 VanDerWaalsContact C-N 3.32Å; E578-F580 PolarHBondContact O-N 3.37Å; E578-R581 PolarHBondContact O-N 3.35Å; E578-D582 PolarHBondContact O-N 2.88Å
579	S	70.9	Confident	65	Low	53 Å²	53	66.6 Å²	66.6	37%	0.371	38%	0.384	S	S	.	.	H	α-helix	trans	-61.2	-39	174.3	-48.9	0	0	0	0	112.5	S576 L583	S576-S579 PolarHBondContact O-N 3.05Å; S576-S579 PolarHBondContact OG-N 3.27Å; S576-S579 PolarHBondContact OG-OG 3.43Å; S579-L583 WeakPolarHBondContact O-CB 3.33Å; S579-L583 PolarHBondContact O-N 2.92Å; S579-L583 VanDerWaalsContact O-N 3.15Å
580	F	71.8	Confident	65.8	Low	6 Å²	6	65.1 Å²	65.1	3%	0.026	39%	0.386	C	S	.	.	H	α-helix	trans	-68	-39.5	176.1	178.8	-101.1	0	0	0	112.7	V575 S576 E578 V584 V596 L599 A600 I727 L732	V575-F580 HydrophobicContact CG1-CB 4.48Å; S576-F580 WeakPolarHBondContact O-CB 3.41Å; S576-F580 PolarHBondContact O-N 3.03Å; E578-F580 VanDerWaalsContact C-N 3.32Å; E578-F580 PolarHBondContact O-N 3.37Å; F580-V584 HydrophobicContact CD1-CG2 4.47Å; F580-V584 HydrophobicContact CD2-CG2 4.33Å; F580-V584 HydrophobicContact CE1-CG2 4.05Å; F580-V584 HydrophobicContact CE2-CG2 3.89Å; F580-V584 HydrophobicContact CZ-CG2 3.75Å; F580-V584 WeakPolarHBondContact O-CG2 3.39Å; F580-V584 PolarHBondContact O-N 2.96Å; F580-V596 HydrophobicContact CD1-CG1 4.41Å; F580-V596 HydrophobicContact CE1-CG1 4.15Å; F580-L599 HydrophobicContact CZ-CB 4.49Å; F580-A600 HydrophobicContact CD1-CB 4.04Å; F580-A600 HydrophobicContact CE1-CB 3.92Å; F580-I727 HydrophobicContact CB-CD1 3.76Å; F580-I727 HydrophobicContact CD1-CD1 3.73Å; F580-I727 HydrophobicContact CG-CD1 3.77Å; F580-L732 HydrophobicContact CE2-CD1 3.74Å; F580-L732 HydrophobicContact CZ-CD1 3.65Å
581	R	72.7	Confident	66.7	Low	90 Å²	90	59 Å²	59	34%	0.34	35%	0.348	S	S	.	.	H	α-helix	trans	-63.4	-46.5	177.3	176.7	-176.8	174.6	-132.6	1.3	111	F577 E578 L583 V584 M585 E593	F577-R581 VanDerWaalsContact O-CB 3.31Å; F577-R581 WeakPolarHBondContact O-CB 3.31Å; F577-R581 PolarHBondContact O-N 3.39Å; E578-R581 PolarHBondContact O-N 3.35Å; R581-L583 VanDerWaalsContact C-N 3.32Å; R581-L583 PolarHBondContact O-N 2.89Å; R581-V584 PolarHBondContact O-N 2.61Å; R581-M585 HydrophobicContact CG-CG 4.28Å; R581-M585 WeakPolarHBondContact O-CB 3.48Å; R581-M585 WeakPolarHBondContact O-CG 3.42Å; R581-M585 PolarHBondContact O-N 3.41Å; R581-E593 IonicContact CZ-OE1 2.99Å; R581-E593 IonicContact NH2-OE1 3.68Å; R581-E593 PolarHBondContact NH2-OE1 3.15Å
582	D	74.9	Confident	67.6	Low	104 Å²	104	54.2 Å²	54.2	56%	0.556	33%	0.325	S	S	*	.	H	α-helix	trans	-67.2	-37.4	-177.4	-65.4	-17.8	0	0	0	111	E578 G586	E578-D582 PolarHBondContact O-N 2.88Å; D582-G586 PolarHBondContact O-N 2.89Å
583	L	72.3	Confident	68.3	Low	26 Å²	26	54.8 Å²	54.8	14%	0.136	32%	0.319	C	S	.	.	H	α-helix	trans	-58.9	-55.5	172.2	-173.6	161.7	0	0	0	111.4	V560 F563 L564 S579 R581 M585 G586 L587	V560-L583 HydrophobicContact CG1-CD2 4.38Å; V560-L583 HydrophobicContact CG2-CD2 4.27Å; F563-L583 HydrophobicContact CB-CD1 4.11Å; F563-L583 HydrophobicContact CD1-CD1 3.72Å; F563-L583 HydrophobicContact CD1-CG 4.35Å; F563-L583 HydrophobicContact CG-CD1 4.24Å; L564-L583 HydrophobicContact CD2-CD1 4.26Å; L564-L583 HydrophobicContact CG-CD1 4.44Å; S579-L583 WeakPolarHBondContact O-CB 3.33Å; S579-L583 PolarHBondContact O-N 2.92Å; S579-L583 VanDerWaalsContact O-N 3.15Å; R581-L583 VanDerWaalsContact C-N 3.32Å; R581-L583 PolarHBondContact O-N 2.89Å; L583-M585 VanDerWaalsContact C-N 3.32Å; L583-M585 PolarHBondContact O-N 3.12Å; L583-G586 PolarHBondContact O-N 3.25Å; L583-L587 HydrophobicContact CD2-CD1 4.02Å; L583-L587 WeakPolarHBondContact O-CG 3.38Å; L583-L587 PolarHBondContact O-N 3.47Å
584	V	69.3	Low	68.8	Low	10 Å²	10	55.2 Å²	55.2	6%	0.061	32%	0.315	C	S	.	.	H	α-helix	trans	-68.2	-32.9	-174.9	178.7	0	0	0	0	112	F580 R581 L591 V596	F580-V584 HydrophobicContact CD1-CG2 4.47Å; F580-V584 HydrophobicContact CD2-CG2 4.33Å; F580-V584 HydrophobicContact CE1-CG2 4.05Å; F580-V584 HydrophobicContact CE2-CG2 3.89Å; F580-V584 HydrophobicContact CZ-CG2 3.75Å; F580-V584 WeakPolarHBondContact O-CG2 3.39Å; F580-V584 PolarHBondContact O-N 2.96Å; R581-V584 PolarHBondContact O-N 2.61Å; V584-L591 HydrophobicContact CG1-CD1 3.72Å; V584-V596 HydrophobicContact CB-CG1 4.11Å; V584-V596 HydrophobicContact CB-CG2 4.31Å; V584-V596 HydrophobicContact CG1-CG1 4.21Å; V584-V596 HydrophobicContact CG1-CG2 3.65Å
585	M	71.3	Confident	69.3	Low	75 Å²	75	52.7 Å²	52.7	37%	0.369	30%	0.304	S	S	.	.	H	α-helix	trans	-71.7	-33.3	174.3	-69.2	-62.8	-58.7	0	0	112.3	R581 L583 L587 V596	R581-M585 HydrophobicContact CG-CG 4.28Å; R581-M585 WeakPolarHBondContact O-CB 3.48Å; R581-M585 WeakPolarHBondContact O-CG 3.42Å; R581-M585 PolarHBondContact O-N 3.41Å; L583-M585 VanDerWaalsContact C-N 3.32Å; L583-M585 PolarHBondContact O-N 3.12Å; M585-L587 VanDerWaalsContact C-N 3.28Å; M585-L587 PolarHBondContact O-N 3.4Å; M585-V596 HydrophobicContact SD-CG2 4.25Å
586	G	68.8	Low	69.5	Low	56 Å²	56	52.2 Å²	52.2	58%	0.577	30%	0.301	S	S	*	.	H	α-helix	trans	-67.3	-22.2	178	0	0	0	0	0	114.7	D582 L583 N588	D582-G586 PolarHBondContact O-N 2.89Å; L583-G586 PolarHBondContact O-N 3.25Å; G586-N588 PolarHBondContact O-N 3.36Å
587	L	67.6	Low	69.5	Low	18 Å²	18	51.6 Å²	51.6	9%	0.094	29%	0.293	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.8	-10.6	-178.3	-62.5	168.4	0	0	0	114.2	K556 V560 L583 M585 C589	K556-L587 PolarHBondContact NZ-O 3.09Å; V560-L587 HydrophobicContact CG2-CD1 3.5Å; V560-L587 VanDerWaalsContact CG2-CD1 3.5Å; V560-L587 HydrophobicContact CG2-CD2 3.37Å; V560-L587 HydrophobicContact CG2-CG 4.03Å; L583-L587 HydrophobicContact CD2-CD1 4.02Å; L583-L587 WeakPolarHBondContact O-CG 3.38Å; L583-L587 PolarHBondContact O-N 3.47Å; M585-L587 VanDerWaalsContact C-N 3.28Å; M585-L587 PolarHBondContact O-N 3.4Å; L587-C589 VanDerWaalsContact C-N 3.3Å; L587-C589 WeakPolarHBondContact CB-SG 3.47Å; L587-C589 PolarHBondContact O-N 3.01Å
588	N	63.2	Low	69.5	Low	139 Å²	139	51.1 Å²	51.1	74%	0.743	29%	0.293	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.6	35.8	-178.3	-75.3	-21.7	0	0	0	114.3	G586 G590	G586-N588 PolarHBondContact O-N 3.36Å; N588-G590 PolarHBondContact O-N 3.43Å
589	C	62	Low	69.5	Low	26 Å²	26	45.2 Å²	45.2	18%	0.176	27%	0.266	C	S	.	.			trans	-81.6	14.7	-174.7	-49.9	0	0	0	0	115.1	I552 L587 L591	I552-C589 HydrophobicContact CD1-CB 4.27Å; I552-C589 WeakPolarHBondContact CD1-SG 3.17Å; I552-C589 HydrophobicContact CG1-CB 4.35Å; I552-C589 VanDerWaalsContact CG1-SG 3.51Å; L587-C589 VanDerWaalsContact C-N 3.3Å; L587-C589 WeakPolarHBondContact CB-SG 3.47Å; L587-C589 PolarHBondContact O-N 3.01Å; C589-L591 HydrophobicContact CB-CD1 4.31Å; C589-L591 HydrophobicContact CB-CG 4.14Å; C589-L591 PolarHBondContact O-N 3.4Å; C589-L591 VanDerWaalsContact O-N 3.12Å
590	G	66.3	Low	69.5	Low	62 Å²	62	42.7 Å²	42.7	64%	0.639	25%	0.248	S	C	*	.			trans	61.1	19.8	-174.9	0	0	0	0	0	114.2	N588	N588-G590 PolarHBondContact O-N 3.43Å
591	L	69.8	Low	69.2	Low	17 Å²	17	47.1 Å²	47.1	9%	0.089	27%	0.265	C	S	.	.			trans	-79.2	138.2	176.6	-70.9	176.3	0	0	0	110.9	I545 K548 L549 V584 C589 E595 V596	I545-L591 HydrophobicContact CG2-CD2 4.01Å; K548-L591 HydrophobicContact CB-CD2 4.01Å; K548-L591 HydrophobicContact CD-CD2 3.85Å; L549-L591 HydrophobicContact CD1-CD1 4.48Å; L549-L591 HydrophobicContact CD2-CD1 3.5Å; L549-L591 VanDerWaalsContact CD2-CD1 3.5Å; L549-L591 HydrophobicContact CG-CD1 3.91Å; V584-L591 HydrophobicContact CG1-CD1 3.72Å; C589-L591 HydrophobicContact CB-CD1 4.31Å; C589-L591 HydrophobicContact CB-CG 4.14Å; C589-L591 PolarHBondContact O-N 3.4Å; C589-L591 VanDerWaalsContact O-N 3.12Å; L591-E595 WeakPolarHBondContact CA-OE2 3.38Å; L591-E595 HydrophobicContact CD2-CB 4.17Å; L591-V596 HydrophobicContact CB-CG2 4.38Å
592	T	69.1	Low	69.1	Low	62 Å²	62	48.8 Å²	48.8	38%	0.38	27%	0.271	S	S	.	.			trans	-84	152.9	174.1	63	0	0	0	0	110.9	H594 E595 V596	T592-H594 PolarHBondContact O-N 3.5Å; T592-E595 PolarHBondContact N-OE2 3.39Å; T592-E595 WeakPolarHBondContact O-CB 3.33Å; T592-E595 PolarHBondContact O-N 3.12Å; T592-E595 WeakPolarHBondContact OG1-CG 3.43Å; T592-E595 PolarHBondContact OG1-N 3.49Å; T592-E595 PolarHBondContact OG1-OE2 3.47Å; T592-E595 VanDerWaalsContact OG1-OE2 3.12Å; T592-V596 PolarHBondContact O-N 3.07Å
593	E	67.5	Low	68.7	Low	98 Å²	98	44.4 Å²	44.4	46%	0.458	25%	0.247	S	C	.	.	H	α-helix	trans	-53.7	-28.1	176.9	-64.3	-169.2	136.8	0	0	113.1	R581 L597	R581-E593 IonicContact CZ-OE1 2.99Å; R581-E593 IonicContact NH2-OE1 3.68Å; R581-E593 PolarHBondContact NH2-OE1 3.15Å; E593-L597 WeakPolarHBondContact O-CB 3.41Å; E593-L597 PolarHBondContact O-N 3.32Å
594	H	68.5	Low	68.4	Low	32 Å²	32	44.3 Å²	44.3	15%	0.148	25%	0.249	C	C	.	.	H	α-helix	trans	-71.9	-38.8	177.1	-167.5	-75.8	0	0	0	112.7	I539 T540 T592 L597 V598	I539-H594 HydrophobicContact CG2-CB 4.09Å; T540-H594 VanDerWaalsContact CG2-CE1 3.44Å; T540-H594 WeakPolarHBondContact CG2-CE1 3.28Å; T592-H594 PolarHBondContact O-N 3.5Å; H594-L597 PolarHBondContact O-N 3.33Å; H594-V598 WeakPolarHBondContact O-CG2 3.4Å; H594-V598 PolarHBondContact O-N 3.04Å; H594-V598 VanDerWaalsContact O-N 3.1Å
595	E	71.3	Confident	67.7	Low	2 Å²	2	49 Å²	49	1%	0.009	27%	0.27	C	S	.	.	H	α-helix	trans	-66.8	-41.1	178	-70.2	166.5	148.7	0	0	110.6	I539 I545 K548 L591 T592 L597 V598 L599	I539-E595 HydrophobicContact CG2-CG 4.2Å; I545-E595 HydrophobicContact CD1-CB 3.78Å; I545-E595 HydrophobicContact CD1-CG 3.8Å; I545-E595 HydrophobicContact CG1-CB 3.93Å; I545-E595 HydrophobicContact CG1-CG 3.77Å; I545-E595 HydrophobicContact CG2-CB 4.43Å; K548-E595 IonicContact NZ-OE1 2.78Å; K548-E595 PolarHBondContact NZ-OE1 3.04Å; K548-E595 IonicContact NZ-OE2 3.18Å; K548-E595 PolarHBondContact NZ-OE2 3.24Å; L591-E595 WeakPolarHBondContact CA-OE2 3.38Å; L591-E595 HydrophobicContact CD2-CB 4.17Å; T592-E595 PolarHBondContact N-OE2 3.39Å; T592-E595 WeakPolarHBondContact O-CB 3.33Å; T592-E595 PolarHBondContact O-N 3.12Å; T592-E595 WeakPolarHBondContact OG1-CG 3.43Å; T592-E595 PolarHBondContact OG1-N 3.49Å; T592-E595 PolarHBondContact OG1-OE2 3.47Å; T592-E595 VanDerWaalsContact OG1-OE2 3.12Å; E595-L597 VanDerWaalsContact C-N 3.31Å; E595-L597 PolarHBondContact O-N 3.04Å; E595-V598 PolarHBondContact O-N 3.22Å; E595-L599 PolarHBondContact O-N 2.92Å
596	V	71.3	Confident	66.9	Low	2 Å²	2	52.9 Å²	52.9	1%	0.012	29%	0.287	C	S	.	.	H	α-helix	trans	-60.6	-41	174.7	-176.6	0	0	0	0	111.6	F580 V584 M585 L591 T592 V598 L599 A600	F580-V596 HydrophobicContact CD1-CG1 4.41Å; F580-V596 HydrophobicContact CE1-CG1 4.15Å; V584-V596 HydrophobicContact CB-CG1 4.11Å; V584-V596 HydrophobicContact CB-CG2 4.31Å; V584-V596 HydrophobicContact CG1-CG1 4.21Å; V584-V596 HydrophobicContact CG1-CG2 3.65Å; M585-V596 HydrophobicContact SD-CG2 4.25Å; L591-V596 HydrophobicContact CB-CG2 4.38Å; T592-V596 PolarHBondContact O-N 3.07Å; V596-V598 VanDerWaalsContact C-N 3.33Å; V596-V598 PolarHBondContact O-N 3.43Å; V596-L599 PolarHBondContact O-N 2.86Å; V596-A600 WeakPolarHBondContact O-CB 3.31Å; V596-A600 PolarHBondContact O-N 2.68Å
597	L	69.8	Low	65.8	Low	41 Å²	41	55.4 Å²	55.4	22%	0.215	29%	0.293	C	S	.	.	H	α-helix	trans	-69.5	-30.2	178.3	-169.2	147	0	0	0	112.8	F577 E593 H594 E595 R601	F577-L597 HydrophobicContact CZ-CD1 4.42Å; E593-L597 WeakPolarHBondContact O-CB 3.41Å; E593-L597 PolarHBondContact O-N 3.32Å; H594-L597 PolarHBondContact O-N 3.33Å; E595-L597 VanDerWaalsContact C-N 3.31Å; E595-L597 PolarHBondContact O-N 3.04Å; L597-R601 VanDerWaalsContact CD2-NE 3.29Å; L597-R601 WeakPolarHBondContact O-CD 3.39Å; L597-R601 VanDerWaalsContact O-CG 3.31Å; L597-R601 WeakPolarHBondContact O-CG 3.41Å; L597-R601 PolarHBondContact O-N 3.27Å
598	V	69.8	Low	64.6	Low	29 Å²	29	59 Å²	59	18%	0.176	33%	0.325	C	S	.	.	H	α-helix	trans	-69.5	-44.3	173.6	170.5	0	0	0	0	110.4	T540 V542 I545 H594 E595 V596 R601 R602	T540-V598 HydrophobicContact CG2-CG2 4.11Å; V542-V598 HydrophobicContact CG2-CG1 4.07Å; I545-V598 HydrophobicContact CD1-CB 4.4Å; I545-V598 HydrophobicContact CD1-CG1 4.29Å; H594-V598 WeakPolarHBondContact O-CG2 3.4Å; H594-V598 PolarHBondContact O-N 3.04Å; H594-V598 VanDerWaalsContact O-N 3.1Å; E595-V598 PolarHBondContact O-N 3.22Å; V596-V598 VanDerWaalsContact C-N 3.33Å; V596-V598 PolarHBondContact O-N 3.43Å; V598-R601 PolarHBondContact O-N 3.39Å; V598-R602 PolarHBondContact O-N 3.36Å
599	L	71.1	Confident	63.9	Low	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.32	C	S	.	.	H	α-helix	trans	-59.7	-52.4	175	-71.2	169.5	0	0	0	111.6	V542 I545 F546 L549 F580 E595 V596 R601 R602 F603	V542-L599 HydrophobicContact CG1-CD2 4.46Å; I545-L599 HydrophobicContact CG2-CD1 3.56Å; I545-L599 HydrophobicContact CG2-CD2 3.85Å; I545-L599 HydrophobicContact CG2-CG 3.76Å; F546-L599 HydrophobicContact CE1-CD2 4.17Å; L549-L599 HydrophobicContact CD1-CD1 3.7Å; L549-L599 HydrophobicContact CD1-CD2 4.46Å; F580-L599 HydrophobicContact CZ-CB 4.49Å; E595-L599 PolarHBondContact O-N 2.92Å; V596-L599 PolarHBondContact O-N 2.86Å; L599-R601 PolarHBondContact O-N 3.33Å; L599-R602 PolarHBondContact O-N 3.43Å; L599-F603 HydrophobicContact CD2-CE2 4.48Å; L599-F603 VanDerWaalsContact O-CD2 3.23Å; L599-F603 WeakPolarHBondContact O-CD2 3.11Å; L599-F603 PolarHBondContact O-N 3.43Å
600	A	70.3	Confident	63.2	Low	0 Å²	0	65.8 Å²	65.8	0%	0	36%	0.355	C	S	.	.	H	α-helix	trans	-55.2	-29.9	-178.6	0	0	0	0	0	113.5	F577 F580 V596 S604 I727	F577-A600 HydrophobicContact CD2-CB 3.68Å; F577-A600 HydrophobicContact CE2-CB 3.64Å; F580-A600 HydrophobicContact CD1-CB 4.04Å; F580-A600 HydrophobicContact CE1-CB 3.92Å; V596-A600 WeakPolarHBondContact O-CB 3.31Å; V596-A600 PolarHBondContact O-N 2.68Å; A600-S604 PolarHBondContact O-N 2.63Å; A600-I727 HydrophobicContact CB-CD1 3.76Å
601	R	67.4	Low	62.7	Low	100 Å²	100	66.9 Å²	66.9	38%	0.377	34%	0.343	S	S	.	.	H	α-helix	trans	-81.1	-35.1	179	-75.3	171.5	174.5	-141	-12	114.1	K527 L597 V598 L599 F603 S604 L724	K527-R601 VanDerWaalsContact CB-NH1 3.27Å; K527-R601 VanDerWaalsContact CD-NH1 3.29Å; L597-R601 VanDerWaalsContact CD2-NE 3.29Å; L597-R601 WeakPolarHBondContact O-CD 3.39Å; L597-R601 VanDerWaalsContact O-CG 3.31Å; L597-R601 WeakPolarHBondContact O-CG 3.41Å; L597-R601 PolarHBondContact O-N 3.27Å; V598-R601 PolarHBondContact O-N 3.39Å; L599-R601 PolarHBondContact O-N 3.33Å; R601-F603 PolarHBondContact O-N 2.69Å; R601-S604 PolarHBondContact O-N 2.94Å; R601-L724 HydrophobicContact CG-CD2 4.2Å
602	R	69.7	Low	62.5	Low	124 Å²	124	71.3 Å²	71.3	47%	0.468	37%	0.367	S	S	.	.	H	α-helix	trans	-60.6	-33.5	176.9	-178.8	174.2	171.8	157.9	-0.3	110.7	V542 V598 L599 E735	V542-R602 VanDerWaalsContact CG1-NH1 3.3Å; V598-R602 PolarHBondContact O-N 3.36Å; L599-R602 PolarHBondContact O-N 3.43Å; R602-E735 IonicContact CZ-OE1 3.59Å; R602-E735 IonicContact CZ-OE2 3.91Å; R602-E735 IonicContact NE-OE1 2.7Å; R602-E735 IonicContact NE-OE2 3.8Å; R602-E735 PolarHBondContact NE-OE2 2.92Å; R602-E735 IonicContact NH2-OE1 2.69Å; R602-E735 PolarHBondContact NH2-OE1 3.42Å; R602-E735 IonicContact NH2-OE2 2.77Å; R602-E735 PolarHBondContact NH2-OE2 2.93Å
603	F	66.9	Low	62.6	Low	13 Å²	13	70.5 Å²	70.5	6%	0.057	36%	0.362	C	S	.	.	T	Hydrogen-bonded Turn	trans	-104.9	16	-176.1	-57.7	-74	0	0	0	114.1	F546 L599 R601 I727 N728 L732 E735	F546-F603 HydrophobicContact CZ-CE2 4.47Å; F546-F603 HydrophobicContact CZ-CZ 4.14Å; L599-F603 HydrophobicContact CD2-CE2 4.48Å; L599-F603 VanDerWaalsContact O-CD2 3.23Å; L599-F603 WeakPolarHBondContact O-CD2 3.11Å; L599-F603 PolarHBondContact O-N 3.43Å; R601-F603 PolarHBondContact O-N 2.69Å; F603-I727 HydrophobicContact CB-CG2 3.99Å; F603-N728 PolarHBondContact O-N 2.7Å; F603-L732 HydrophobicContact CD1-CB 4.21Å; F603-L732 HydrophobicContact CD2-CB 4.02Å; F603-L732 HydrophobicContact CD2-CD1 3.67Å; F603-L732 HydrophobicContact CD2-CG 4.23Å; F603-L732 HydrophobicContact CE1-CB 4.14Å; F603-L732 HydrophobicContact CE2-CB 3.96Å; F603-L732 HydrophobicContact CE2-CD1 3.7Å; F603-L732 HydrophobicContact CE2-CG 3.96Å; F603-L732 HydrophobicContact CG-CB 4.14Å; F603-L732 HydrophobicContact CG-CD1 4.48Å; F603-L732 HydrophobicContact CZ-CB 4Å; F603-L732 HydrophobicContact CZ-CG 4.3Å; F603-E735 WeakPolarHBondContact CE1-OE2 3.33Å; F603-E735 WeakPolarHBondContact CZ-OE2 3.44Å
604	S	65.4	Low	62.8	Low	24 Å²	24	70.7 Å²	70.7	17%	0.168	37%	0.37	C	S	.	.	B	Isolated β-bridge	trans	-89.5	111.4	173.9	-179.8	0	0	0	0	109.4	A600 R601	A600-S604 PolarHBondContact O-N 2.63Å; R601-S604 PolarHBondContact O-N 2.94Å
605	E	55.4	Low	63.1	Low	108 Å²	108	72.6 Å²	72.6	51%	0.505	38%	0.381	S	S	.	.			trans	-95.7	137.3	172.4	-78	174.1	160.8	0	0	110.7	F574 N728	F574-E605 HydrophobicContact CE1-CB 4.39Å; E605-N728 PolarHBondContact OE2-ND2 3.49Å
606	H	53.3	Low	63.3	Low	157 Å²	157	72.7 Å²	72.7	73%	0.727	38%	0.382	S	S	*	.			trans	-105.7	104.9	173.8	-62.9	-55.4	0	0	0	108.7	A608	H606-A608 PolarHBondContact O-N 3.25Å
607	P	45.7	Very low	63.7	Low	109 Å²	109	73.7 Å²	73.7	71%	0.708	39%	0.387	S	S	*	.	P	Polyproline II helix	trans	-73.1	122.4	165.8	28.1	-29.2	0	0	0	108.6
608	A	42	Very low	64.2	Low	92 Å²	92	72.1 Å²	72.1	76%	0.76	38%	0.379	S	S	*	.	P	Polyproline II helix	trans	-70.8	128.5	168.2	0	0	0	0	0	108.6	H606	H606-A608 PolarHBondContact O-N 3.25Å
609	P	50.4	Low	64.7	Low	100 Å²	100	70.8 Å²	70.8	65%	0.649	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-68.7	134.9	173.6	28.9	-31.4	0	0	0	109.1	E611	P609-E611 PolarHBondContact O-N 3.45Å
610	K	46.2	Very low	65.2	Low	209 Å²	209	70.7 Å²	70.7	91%	0.909	37%	0.371	S	S	*	.			trans	-68.1	115.8	167	-72.1	-178.6	174.6	-174.2	0	107.5
611	E	56.1	Low	65.9	Low	84 Å²	84	71 Å²	71	39%	0.393	37%	0.372	S	S	.	.			trans	-94.9	143.7	-178.7	-71.1	174.2	165.9	0	0	110.1	P609 V613 M616 Y711	P609-E611 PolarHBondContact O-N 3.45Å; E611-V613 PolarHBondContact O-N 2.96Å; E611-M616 HydrophobicContact CB-CE 3.82Å; E611-M616 WeakPolarHBondContact O-CE 3.45Å; E611-Y711 WeakPolarHBondContact OE2-CE1 3.15Å; E611-Y711 PolarHBondContact OE2-OH 3.17Å
612	D	66.1	Low	66.6	Low	110 Å²	110	69.6 Å²	69.6	59%	0.588	37%	0.37	S	S	*	.			trans	-68.9	121.7	-178.7	-70.7	-37.2	0	0	0	111.4	T614 L615 M616	D612-T614 PolarHBondContact O-N 3.07Å; D612-T614 VanDerWaalsContact O-N 3.17Å; D612-L615 HydrophobicContact CB-CB 4.45Å; D612-L615 HydrophobicContact CB-CD1 4.16Å; D612-L615 HydrophobicContact CB-CG 4.42Å; D612-L615 PolarHBondContact O-N 3.22Å; D612-M616 PolarHBondContact O-N 3.03Å
613	V	69.8	Low	67.2	Low	46 Å²	46	64.4 Å²	64.4	28%	0.279	35%	0.35	S	S	.	.	H	α-helix	trans	-55.8	-34.4	-178.1	-172.4	0	0	0	0	113	E611 M616 L617 E677	E611-V613 PolarHBondContact O-N 2.96Å; V613-M616 HydrophobicContact CG2-CE 4.47Å; V613-M616 PolarHBondContact O-N 3.47Å; V613-L617 HydrophobicContact CG1-CD1 4.27Å; V613-L617 WeakPolarHBondContact O-CG 3.33Å; V613-L617 PolarHBondContact O-N 2.88Å; V613-E677 HydrophobicContact CG1-CB 4.3Å; V613-E677 HydrophobicContact CG2-CB 4.06Å; V613-E677 HydrophobicContact CG2-CG 3.78Å; V613-E677 WeakPolarHBondContact CG2-OE2 3.35Å
614	T	72.6	Confident	67.9	Low	102 Å²	102	63.8 Å²	63.8	63%	0.626	35%	0.347	S	S	*	.	H	α-helix	trans	-66.4	-37.8	178.7	52.8	0	0	0	0	112.3	D612 S618	D612-T614 PolarHBondContact O-N 3.07Å; D612-T614 VanDerWaalsContact O-N 3.17Å; T614-S618 WeakPolarHBondContact O-CB 3.1Å; T614-S618 PolarHBondContact O-N 3.05Å; T614-S618 VanDerWaalsContact O-N 3.12Å; T614-S618 PolarHBondContact O-OG 2.98Å
615	L	75.7	Confident	68.6	Low	72 Å²	72	67.1 Å²	67.1	38%	0.377	36%	0.356	S	S	.	.	H	α-helix	trans	-70.5	-41.2	175.4	-76.3	170	0	0	0	110.8	D612 L617 S618 V619	D612-L615 HydrophobicContact CB-CB 4.45Å; D612-L615 HydrophobicContact CB-CD1 4.16Å; D612-L615 HydrophobicContact CB-CG 4.42Å; D612-L615 PolarHBondContact O-N 3.22Å; L615-L617 PolarHBondContact O-N 2.89Å; L615-S618 WeakPolarHBondContact CA-OG 3.19Å; L615-S618 PolarHBondContact O-N 3.33Å; L615-S618 PolarHBondContact O-OG 3.38Å; L615-V619 WeakPolarHBondContact O-CG2 3.49Å; L615-V619 PolarHBondContact O-N 2.98Å
616	M	74.4	Confident	69.9	Low	4 Å²	4	69.6 Å²	69.6	2%	0.02	36%	0.361	C	S	.	.	H	α-helix	trans	-60.6	-44.5	176.6	-66.5	-169.4	-110	0	0	112.5	E611 D612 V613 S618 V619 A620 A673 L674 E677	E611-M616 HydrophobicContact CB-CE 3.82Å; E611-M616 WeakPolarHBondContact O-CE 3.45Å; D612-M616 PolarHBondContact O-N 3.03Å; V613-M616 HydrophobicContact CG2-CE 4.47Å; V613-M616 PolarHBondContact O-N 3.47Å; M616-S618 VanDerWaalsContact C-N 3.34Å; M616-S618 PolarHBondContact O-N 3.27Å; M616-V619 PolarHBondContact O-N 3.37Å; M616-A620 WeakPolarHBondContact O-CB 3.37Å; M616-A620 PolarHBondContact O-N 3.49Å; M616-A673 HydrophobicContact SD-CB 3.79Å; M616-L674 HydrophobicContact CB-CD2 3.54Å; M616-L674 HydrophobicContact CB-CG 4.1Å; M616-L674 HydrophobicContact SD-CD2 4.47Å; M616-E677 HydrophobicContact CE-CG 4.12Å
617	L	80.4	Confident	71.2	Confident	23 Å²	23	66.2 Å²	66.2	12%	0.12	35%	0.348	C	S	.	.	H	α-helix	trans	-63	-41.1	176.2	-73.1	169.1	0	0	0	111.9	V613 L615 V619 A620 Q621 L674 Y678	V613-L617 HydrophobicContact CG1-CD1 4.27Å; V613-L617 WeakPolarHBondContact O-CG 3.33Å; V613-L617 PolarHBondContact O-N 2.88Å; L615-L617 PolarHBondContact O-N 2.89Å; L617-V619 VanDerWaalsContact C-N 3.33Å; L617-V619 PolarHBondContact O-N 3.41Å; L617-A620 PolarHBondContact O-N 3.04Å; L617-Q621 WeakPolarHBondContact O-CG 3.45Å; L617-Q621 PolarHBondContact O-N 3.23Å; L617-L674 HydrophobicContact CD2-CD1 4.46Å; L617-L674 HydrophobicContact CD2-CD2 3.86Å; L617-L674 HydrophobicContact CG-CD2 3.96Å; L617-Y678 WeakPolarHBondContact CD1-OH 3.35Å; L617-Y678 HydrophobicContact CD2-CE2 4.15Å
618	S	79.7	Confident	72.7	Confident	7 Å²	7	71 Å²	71	5%	0.049	35%	0.352	C	S	.	.	H	α-helix	trans	-62.8	-39.9	178.3	72.8	0	0	0	0	112.4	T614 L615 M616 H622 V703	T614-S618 WeakPolarHBondContact O-CB 3.1Å; T614-S618 PolarHBondContact O-N 3.05Å; T614-S618 VanDerWaalsContact O-N 3.12Å; T614-S618 PolarHBondContact O-OG 2.98Å; L615-S618 WeakPolarHBondContact CA-OG 3.19Å; L615-S618 PolarHBondContact O-N 3.33Å; L615-S618 PolarHBondContact O-OG 3.38Å; M616-S618 VanDerWaalsContact C-N 3.34Å; M616-S618 PolarHBondContact O-N 3.27Å; S618-H622 PolarHBondContact O-N 2.89Å; S618-H622 VanDerWaalsContact O-N 3.1Å; S618-V703 VanDerWaalsContact C-CG2 3.43Å; S618-V703 WeakPolarHBondContact O-CG2 3.5Å; S618-V703 WeakPolarHBondContact OG-CG2 3.07Å
619	V	80.3	Confident	74.5	Confident	1 Å²	1	67.7 Å²	67.7	1%	0.006	32%	0.321	C	S	.	.	H	α-helix	trans	-68.4	-42.7	175.7	175.2	0	0	0	0	110.6	L615 M616 L617 H622 Y623 L670 V703 Y711	L615-V619 WeakPolarHBondContact O-CG2 3.49Å; L615-V619 PolarHBondContact O-N 2.98Å; M616-V619 PolarHBondContact O-N 3.37Å; L617-V619 VanDerWaalsContact C-N 3.33Å; L617-V619 PolarHBondContact O-N 3.41Å; V619-H622 WeakPolarHBondContact O-CB 3.28Å; V619-H622 PolarHBondContact O-N 2.94Å; V619-Y623 HydrophobicContact CG1-CD2 3.93Å; V619-Y623 HydrophobicContact CG1-CE2 3.57Å; V619-Y623 WeakPolarHBondContact O-CD2 3.39Å; V619-Y623 PolarHBondContact O-N 3.44Å; V619-Y623 VanDerWaalsContact O-N 3.17Å; V619-L670 HydrophobicContact CB-CD1 3.94Å; V619-L670 HydrophobicContact CG1-CD1 3.51Å; V619-V703 HydrophobicContact CG2-CG1 3.85Å; V619-V703 HydrophobicContact CG2-CG2 4.45Å; V619-Y711 HydrophobicContact CG1-CD2 4.27Å; V619-Y711 HydrophobicContact CG2-CD2 4.35Å; V619-Y711 HydrophobicContact CG2-CE2 4.34Å
620	A	81.3	Confident	75.5	Confident	0 Å²	0	68.9 Å²	68.9	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-59.8	-48	176	0	0	0	0	0	112.3	M616 L617 H622 Y623 L624 I666 L670 L674 L693	M616-A620 WeakPolarHBondContact O-CB 3.37Å; M616-A620 PolarHBondContact O-N 3.49Å; L617-A620 PolarHBondContact O-N 3.04Å; A620-H622 VanDerWaalsContact C-N 3.28Å; A620-H622 PolarHBondContact O-N 3.34Å; A620-Y623 PolarHBondContact O-N 2.95Å; A620-L624 WeakPolarHBondContact O-CG 3.47Å; A620-L624 PolarHBondContact O-N 2.66Å; A620-I666 HydrophobicContact CB-CD1 4.16Å; A620-L670 HydrophobicContact CB-CD2 3.77Å; A620-L674 HydrophobicContact CB-CD1 3.8Å; A620-L693 HydrophobicContact CB-CD2 3.97Å
621	Q	84.3	Confident	77.2	Confident	7 Å²	7	63.4 Å²	63.4	3%	0.033	30%	0.298	C	S	.	.	H	α-helix	trans	-62.6	-35.4	177.6	-71.5	-168.8	6	0	0	112.1	L617 L624 R625 G692 W695 H698 A700	L617-Q621 WeakPolarHBondContact O-CG 3.45Å; L617-Q621 PolarHBondContact O-N 3.23Å; Q621-L624 PolarHBondContact O-N 3.12Å; Q621-R625 WeakPolarHBondContact O-CB 3.41Å; Q621-R625 WeakPolarHBondContact O-CG 3.31Å; Q621-R625 PolarHBondContact O-N 3.43Å; Q621-G692 PolarHBondContact NE2-O 3.31Å; Q621-W695 HydrophobicContact CB-CB 4.12Å; Q621-W695 HydrophobicContact CG-CB 4.01Å; Q621-H698 PolarHBondContact NE2-O 3.32Å; Q621-A700 VanDerWaalsContact OE1-CB 3.26Å
622	H	83.2	Confident	78.4	Confident	70 Å²	70	59.7 Å²	59.7	32%	0.324	28%	0.281	S	S	.	.	H	α-helix	trans	-61	-44.2	173.9	175.8	-89.5	0	0	0	112.1	S618 V619 A620 R625 R626	S618-H622 PolarHBondContact O-N 2.89Å; S618-H622 VanDerWaalsContact O-N 3.1Å; V619-H622 WeakPolarHBondContact O-CB 3.28Å; V619-H622 PolarHBondContact O-N 2.94Å; A620-H622 VanDerWaalsContact C-N 3.28Å; A620-H622 PolarHBondContact O-N 3.34Å; H622-R625 PolarHBondContact O-N 3.22Å; H622-R626 WeakPolarHBondContact O-CB 3.5Å; H622-R626 PolarHBondContact O-N 2.99Å
623	Y	81.3	Confident	79.1	Confident	14 Å²	14	60.6 Å²	60.6	6%	0.055	29%	0.286	C	S	.	.	H	α-helix	trans	-64.8	-40.3	176.4	-79	-70	0	0	0	113	V619 A620 R626 N627 P665 P667 E712	V619-Y623 HydrophobicContact CG1-CD2 3.93Å; V619-Y623 HydrophobicContact CG1-CE2 3.57Å; V619-Y623 WeakPolarHBondContact O-CD2 3.39Å; V619-Y623 PolarHBondContact O-N 3.44Å; V619-Y623 VanDerWaalsContact O-N 3.17Å; A620-Y623 PolarHBondContact O-N 2.95Å; Y623-R626 PolarHBondContact O-N 3.47Å; Y623-N627 WeakPolarHBondContact O-CB 3.3Å; Y623-N627 PolarHBondContact O-N 3.26Å; Y623-N627 VanDerWaalsContact O-N 3.11Å; Y623-N627 PolarHBondContact O-ND2 3.44Å; Y623-N627 VanDerWaalsContact O-ND2 3.11Å; Y623-P665 WeakPolarHBondContact CB-O 3.35Å; Y623-P667 HydrophobicContact CD2-CG 4.44Å; Y623-P667 HydrophobicContact CE2-CG 3.97Å; Y623-E712 WeakPolarHBondContact OH-CG 3.19Å; Y623-E712 PolarHBondContact OH-OE1 3.21Å
624	L	82.7	Confident	79.6	Confident	0 Å²	0	63.4 Å²	63.4	0%	0	30%	0.298	C	S	.	.	H	α-helix	trans	-65	-40.6	176.7	-67.3	173	0	0	0	112	A620 Q621 N627 R628 F629 Y632 L664 P665 I666 L693	A620-L624 WeakPolarHBondContact O-CG 3.47Å; A620-L624 PolarHBondContact O-N 2.66Å; Q621-L624 PolarHBondContact O-N 3.12Å; L624-N627 CarbonylContact O-C 3.6Å; L624-N627 PolarHBondContact O-N 3.22Å; L624-R628 PolarHBondContact O-N 3.48Å; L624-F629 HydrophobicContact CD2-CB 3.92Å; L624-F629 HydrophobicContact CD2-CD1 4.03Å; L624-F629 HydrophobicContact CD2-CG 4.09Å; L624-F629 PolarHBondContact O-N 2.83Å; L624-Y632 HydrophobicContact CD1-CE1 4.26Å; L624-L664 HydrophobicContact CD2-CD2 3.88Å; L624-P665 HydrophobicContact CD2-CG 3.97Å; L624-I666 HydrophobicContact CD1-CD1 4.12Å; L624-I666 HydrophobicContact CD2-CD1 4.1Å; L624-I666 HydrophobicContact CD2-CG1 4.07Å; L624-I666 HydrophobicContact CG-CD1 4.11Å; L624-I666 HydrophobicContact CG-CG1 4.18Å; L624-L693 HydrophobicContact CD1-CB 4.06Å; L624-L693 HydrophobicContact CD1-CD2 4.1Å
625	R	80.6	Confident	80.2	Confident	95 Å²	95	58.6 Å²	58.6	36%	0.358	27%	0.269	S	S	.	.	H	α-helix	trans	-63.9	-47.1	173.5	-76.5	176.2	-177.1	171.7	4.3	112.2	Q621 H622 N627 R628 W695 P699	Q621-R625 WeakPolarHBondContact O-CB 3.41Å; Q621-R625 WeakPolarHBondContact O-CG 3.31Å; Q621-R625 PolarHBondContact O-N 3.43Å; H622-R625 PolarHBondContact O-N 3.22Å; R625-N627 PolarHBondContact O-N 3.46Å; R625-R628 PolarHBondContact O-N 3.05Å; R625-R628 VanDerWaalsContact O-N 3.16Å; R625-W695 HydrophobicContact CG-CB 4.49Å; R625-W695 HydrophobicContact CG-CD2 3.39Å; R625-W695 HydrophobicContact CG-CE3 3.72Å; R625-W695 HydrophobicContact CG-CG 3.76Å; R625-W695 HydrophobicContact CG-CH2 4.21Å; R625-W695 HydrophobicContact CG-CZ2 3.96Å; R625-W695 HydrophobicContact CG-CZ3 4.1Å; R625-P699 VanDerWaalsContact NH2-CB 3.33Å
626	R	81.9	Confident	80.5	Confident	160 Å²	160	56.8 Å²	56.8	60%	0.604	26%	0.262	S	S	*	.	H	α-helix	trans	-58	-37.1	179.4	-179.9	176.9	169.5	-176	-2.7	111.7	H622 Y623	H622-R626 WeakPolarHBondContact O-CB 3.5Å; H622-R626 PolarHBondContact O-N 2.99Å; Y623-R626 PolarHBondContact O-N 3.47Å
627	N	79.9	Confident	80.9	Confident	85 Å²	85	59.1 Å²	59.1	46%	0.455	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.3	7.6	-177.8	-64.2	-45.4	0	0	0	113.9	Y623 L624 R625 F629 P665	Y623-N627 WeakPolarHBondContact O-CB 3.3Å; Y623-N627 PolarHBondContact O-N 3.26Å; Y623-N627 VanDerWaalsContact O-N 3.11Å; Y623-N627 PolarHBondContact O-ND2 3.44Å; Y623-N627 VanDerWaalsContact O-ND2 3.11Å; L624-N627 CarbonylContact O-C 3.6Å; L624-N627 PolarHBondContact O-N 3.22Å; R625-N627 PolarHBondContact O-N 3.46Å; N627-F629 VanDerWaalsContact C-N 3.34Å; N627-F629 PolarHBondContact O-N 2.91Å; N627-P665 HydrophobicContact CB-CB 3.88Å; N627-P665 HydrophobicContact CB-CG 3.67Å; N627-P665 WeakPolarHBondContact ND2-CB 3.45Å
628	R	77.6	Confident	81.1	Confident	210 Å²	210	64 Å²	64	79%	0.792	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.8	45.1	177	-56.3	-175.7	-177.6	-178.2	-0.5	114.1	L624 R625 E630	L624-R628 PolarHBondContact O-N 3.48Å; R625-R628 PolarHBondContact O-N 3.05Å; R625-R628 VanDerWaalsContact O-N 3.16Å; R628-E630 PolarHBondContact O-N 3.15Å
629	F	79.8	Confident	81.4	Confident	22 Å²	22	63.7 Å²	63.7	10%	0.096	30%	0.297	C	S	.	.			trans	-80.9	119.1	176.9	-171.4	-93	0	0	0	110.4	L624 N627 D631 Y632 L664 P665	L624-F629 HydrophobicContact CD2-CB 3.92Å; L624-F629 HydrophobicContact CD2-CD1 4.03Å; L624-F629 HydrophobicContact CD2-CG 4.09Å; L624-F629 PolarHBondContact O-N 2.83Å; N627-F629 VanDerWaalsContact C-N 3.34Å; N627-F629 PolarHBondContact O-N 2.91Å; F629-D631 HydrophobicContact CE2-CB 4.49Å; F629-D631 HydrophobicContact CZ-CB 4.15Å; F629-Y632 AromaticContact CD1-CE1 3.91Å; F629-Y632 HydrophobicContact CD1-CE1 3.91Å; F629-Y632 HydrophobicContact CD1-CE2 4.33Å; F629-Y632 AromaticContact CD1-CZ 3.77Å; F629-Y632 HydrophobicContact CE1-CD1 4.34Å; F629-Y632 HydrophobicContact CE1-CE1 4.13Å; F629-Y632 WeakPolarHBondContact O-CE2 3.38Å; F629-Y632 PolarHBondContact O-OH 2.97Å; F629-L664 HydrophobicContact CD1-CD2 4Å; F629-L664 HydrophobicContact CE1-CD2 3.6Å; F629-L664 HydrophobicContact CE2-CD2 4.28Å; F629-L664 HydrophobicContact CZ-CD2 3.75Å; F629-P665 HydrophobicContact CB-CG 4.34Å
630	E	72.5	Confident	81.6	Confident	126 Å²	126	67.2 Å²	67.2	59%	0.589	32%	0.318	S	S	*	.			trans	-124.4	-6.7	-173.6	-67.4	178.4	-173.9	0	0	113.9	R628 Y632	R628-E630 PolarHBondContact O-N 3.15Å; E630-Y632 PolarHBondContact O-N 3.42Å
631	D	80.6	Confident	81.8	Confident	93 Å²	93	73.3 Å²	73.3	50%	0.497	35%	0.347	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	38.9	-172.4	-66.5	-35.9	0	0	0	114.5	F629 N633 L634 L635	F629-D631 HydrophobicContact CE2-CB 4.49Å; F629-D631 HydrophobicContact CZ-CB 4.15Å; D631-N633 VanDerWaalsContact C-N 3.31Å; D631-N633 PolarHBondContact O-N 2.97Å; D631-L634 HydrophobicContact CB-CB 4.43Å; D631-L634 PolarHBondContact O-N 3.09Å; D631-L635 WeakPolarHBondContact O-CB 3.33Å; D631-L635 PolarHBondContact O-N 3.42Å
632	Y	81.4	Confident	81.6	Confident	7 Å²	7	74.7 Å²	74.7	3%	0.027	36%	0.357	C	S	.	.	H	α-helix	trans	-66	-32.6	-178.5	-58.1	-79.4	0	0	0	112.8	L624 F629 E630 L635 S636 L693 N694 W695	L624-Y632 HydrophobicContact CD1-CE1 4.26Å; F629-Y632 AromaticContact CD1-CE1 3.91Å; F629-Y632 HydrophobicContact CD1-CE1 3.91Å; F629-Y632 HydrophobicContact CD1-CE2 4.33Å; F629-Y632 AromaticContact CD1-CZ 3.77Å; F629-Y632 HydrophobicContact CE1-CD1 4.34Å; F629-Y632 HydrophobicContact CE1-CE1 4.13Å; F629-Y632 WeakPolarHBondContact O-CE2 3.38Å; F629-Y632 PolarHBondContact O-OH 2.97Å; E630-Y632 PolarHBondContact O-N 3.42Å; Y632-L635 PolarHBondContact O-N 3.23Å; Y632-S636 WeakPolarHBondContact O-CB 3.34Å; Y632-S636 PolarHBondContact O-N 3.22Å; Y632-S636 PolarHBondContact O-OG 3.18Å; Y632-L693 HydrophobicContact CE1-CB 4.42Å; Y632-N694 HydrophobicContact CD1-CB 4.32Å; Y632-N694 HydrophobicContact CG-CB 4.39Å; Y632-W695 AromaticContact CZ-CD1 3.95Å; Y632-W695 PolarHBondContact OH-NE1 3.44Å
633	N	80.8	Confident	81.6	Confident	129 Å²	129	71.8 Å²	71.8	69%	0.69	34%	0.344	S	S	*	.	H	α-helix	trans	-69	-35.3	177.7	-68.4	-27.2	0	0	0	112.4	D631 S636 A637	D631-N633 VanDerWaalsContact C-N 3.31Å; D631-N633 PolarHBondContact O-N 2.97Å; N633-S636 PolarHBondContact O-OG 3.3Å; N633-A637 VanDerWaalsContact O-CB 3.29Å; N633-A637 WeakPolarHBondContact O-CB 3.36Å; N633-A637 PolarHBondContact O-N 3.33Å; N633-A637 VanDerWaalsContact O-N 3.07Å
634	L	81.1	Confident	81.5	Confident	105 Å²	105	82.3 Å²	82.3	55%	0.55	38%	0.383	S	S	.	.	H	α-helix	trans	-76.8	-36	177.4	-165.3	67.6	0	0	0	110.7	D631 R638 F662	D631-L634 HydrophobicContact CB-CB 4.43Å; D631-L634 PolarHBondContact O-N 3.09Å; L634-R638 PolarHBondContact O-N 2.95Å; L634-F662 HydrophobicContact CB-CE1 4.15Å; L634-F662 HydrophobicContact CD2-CE1 3.88Å; L634-F662 HydrophobicContact CD2-CZ 4.37Å; L634-F662 HydrophobicContact CG-CE1 3.88Å; L634-F662 HydrophobicContact CG-CZ 4.06Å
635	L	83.9	Confident	81.2	Confident	0 Å²	0	90.6 Å²	90.6	0%	0	42%	0.422	C	S	.	.	H	α-helix	trans	-63.1	-48.1	173.4	-174	72.4	0	0	0	111.3	D631 Y632 R638 F639 I658 F662 L664 V690	D631-L635 WeakPolarHBondContact O-CB 3.33Å; D631-L635 PolarHBondContact O-N 3.42Å; Y632-L635 PolarHBondContact O-N 3.23Å; L635-R638 PolarHBondContact O-N 2.93Å; L635-F639 HydrophobicContact CD1-CE2 3.82Å; L635-F639 HydrophobicContact CD1-CZ 4.28Å; L635-F639 HydrophobicContact CD2-CE2 4.05Å; L635-F639 HydrophobicContact CG-CD2 4.06Å; L635-F639 HydrophobicContact CG-CE2 3.57Å; L635-F639 HydrophobicContact CG-CZ 4.48Å; L635-F639 WeakPolarHBondContact O-CD2 3.25Å; L635-F639 PolarHBondContact O-N 3.24Å; L635-I658 HydrophobicContact CD1-CG2 4.21Å; L635-F662 HydrophobicContact CD1-CB 3.93Å; L635-F662 HydrophobicContact CD1-CD1 4.23Å; L635-F662 HydrophobicContact CD1-CD2 3.71Å; L635-F662 HydrophobicContact CD1-CE2 4.28Å; L635-F662 HydrophobicContact CD1-CG 3.68Å; L635-L664 HydrophobicContact CD2-CD1 4.48Å; L635-V690 HydrophobicContact CD2-CG2 4.13Å
636	S	83.2	Confident	81	Confident	34 Å²	34	95 Å²	95	24%	0.238	44%	0.444	C	S	.	.	H	α-helix	trans	-64	-41.9	176.8	66.3	0	0	0	0	111.9	Y632 N633 R638 F639 V640	Y632-S636 WeakPolarHBondContact O-CB 3.34Å; Y632-S636 PolarHBondContact O-N 3.22Å; Y632-S636 PolarHBondContact O-OG 3.18Å; N633-S636 PolarHBondContact O-OG 3.3Å; S636-R638 VanDerWaalsContact C-N 3.27Å; S636-R638 PolarHBondContact O-N 3.02Å; S636-F639 PolarHBondContact O-N 3.02Å; S636-V640 WeakPolarHBondContact O-CG2 3.37Å; S636-V640 PolarHBondContact O-N 2.89Å
637	A	83.3	Confident	80.7	Confident	54 Å²	54	90 Å²	90	45%	0.446	43%	0.434	S	S	.	.	H	α-helix	trans	-60.5	-35.7	174	0	0	0	0	0	112.4	N633 H641	N633-A637 VanDerWaalsContact O-CB 3.29Å; N633-A637 WeakPolarHBondContact O-CB 3.36Å; N633-A637 PolarHBondContact O-N 3.33Å; N633-A637 VanDerWaalsContact O-N 3.07Å; A637-H641 WeakPolarHBondContact O-CB 3.21Å; A637-H641 PolarHBondContact O-N 3.3Å
638	R	84.8	Confident	80.6	Confident	125 Å²	125	92 Å²	92	47%	0.472	44%	0.44	S	S	.	.	H	α-helix	trans	-68.7	-41.7	175.7	-167.2	72.9	179.6	144.5	1.7	111.9	L634 L635 S636 H641 S642 I658 F662	L634-R638 PolarHBondContact O-N 2.95Å; L635-R638 PolarHBondContact O-N 2.93Å; S636-R638 VanDerWaalsContact C-N 3.27Å; S636-R638 PolarHBondContact O-N 3.02Å; R638-H641 PolarHBondContact NH1-CD2 3.41Å; R638-H641 PolarHBondContact O-N 3.4Å; R638-S642 PolarHBondContact O-N 3.21Å; R638-S642 PolarHBondContact O-OG 2.76Å; R638-S642 VanDerWaalsContact O-OG 3.08Å; R638-I658 HydrophobicContact CB-CG2 4.39Å; R638-I658 HydrophobicContact CG-CG2 4.09Å; R638-F662 HydrophobicContact CB-CE2 3.67Å; R638-F662 HydrophobicContact CB-CZ 3.98Å; R638-F662 HydrophobicContact CG-CE2 3.82Å; R638-F662 HydrophobicContact CG-CZ 4.47Å
639	F	85.3	Confident	80.8	Confident	0 Å²	0	87.8 Å²	87.8	0%	0	42%	0.424	C	S	.	.	H	α-helix	trans	-62.3	-44.6	175.7	-73.3	-58.3	0	0	0	112	L635 S636 H641 S642 D643 L650 V655 I658 Y686 V690	L635-F639 HydrophobicContact CD1-CE2 3.82Å; L635-F639 HydrophobicContact CD1-CZ 4.28Å; L635-F639 HydrophobicContact CD2-CE2 4.05Å; L635-F639 HydrophobicContact CG-CD2 4.06Å; L635-F639 HydrophobicContact CG-CE2 3.57Å; L635-F639 HydrophobicContact CG-CZ 4.48Å; L635-F639 WeakPolarHBondContact O-CD2 3.25Å; L635-F639 PolarHBondContact O-N 3.24Å; S636-F639 PolarHBondContact O-N 3.02Å; F639-H641 VanDerWaalsContact C-N 3.29Å; F639-H641 PolarHBondContact O-N 3.09Å; F639-S642 WeakPolarHBondContact CA-OG 2.85Å; F639-S642 PolarHBondContact O-N 3.08Å; F639-S642 PolarHBondContact O-OG 2.99Å; F639-D643 PolarHBondContact O-N 3.18Å; F639-L650 HydrophobicContact CB-CD1 4.22Å; F639-L650 HydrophobicContact CD1-CD1 3.73Å; F639-L650 HydrophobicContact CG-CD1 4.45Å; F639-V655 HydrophobicContact CE1-CB 4.29Å; F639-V655 HydrophobicContact CE1-CG1 3.92Å; F639-V655 HydrophobicContact CE1-CG2 4.28Å; F639-V655 HydrophobicContact CZ-CG1 4.07Å; F639-I658 HydrophobicContact CD1-CB 4.28Å; F639-I658 HydrophobicContact CD1-CD1 3.52Å; F639-I658 HydrophobicContact CD1-CG1 4.5Å; F639-I658 HydrophobicContact CD1-CG2 3.98Å; F639-I658 HydrophobicContact CE1-CB 3.63Å; F639-I658 HydrophobicContact CE1-CD1 3.65Å; F639-I658 HydrophobicContact CE1-CG1 4.24Å; F639-I658 HydrophobicContact CE1-CG2 3.51Å; F639-I658 HydrophobicContact CE2-CG2 4.3Å; F639-I658 HydrophobicContact CZ-CB 4.12Å; F639-I658 HydrophobicContact CZ-CG2 3.7Å; F639-Y686 HydrophobicContact CB-CD2 3.42Å; F639-Y686 VanDerWaalsContact CB-CD2 3.42Å; F639-Y686 HydrophobicContact CB-CE2 3.81Å; F639-Y686 HydrophobicContact CB-CG 3.89Å; F639-Y686 HydrophobicContact CG-CD2 4.08Å; F639-Y686 HydrophobicContact CG-CG 4.25Å; F639-V690 HydrophobicContact CD2-CG2 3.7Å; F639-V690 HydrophobicContact CE2-CG2 3.61Å
640	V	85.1	Confident	81	Confident	76 Å²	76	87.1 Å²	87.1	46%	0.461	42%	0.422	S	S	.	.	H	α-helix	trans	-61.9	-36.6	175	173.5	0	0	0	0	111.6	S636 D643 Y686	S636-V640 WeakPolarHBondContact O-CG2 3.37Å; S636-V640 PolarHBondContact O-N 2.89Å; V640-D643 PolarHBondContact O-N 3.26Å; V640-Y686 HydrophobicContact CG2-CE2 4.17Å
641	H	84.7	Confident	81.6	Confident	128 Å²	128	84.1 Å²	84.1	59%	0.593	41%	0.413	S	S	*	.	H	α-helix	trans	-69.7	-35	176.3	-178.3	83.8	0	0	0	113.2	A637 R638 F639	A637-H641 WeakPolarHBondContact O-CB 3.21Å; A637-H641 PolarHBondContact O-N 3.3Å; R638-H641 PolarHBondContact NH1-CD2 3.41Å; R638-H641 PolarHBondContact O-N 3.4Å; F639-H641 VanDerWaalsContact C-N 3.29Å; F639-H641 PolarHBondContact O-N 3.09Å
642	S	79.8	Confident	81.6	Confident	35 Å²	35	82.1 Å²	82.1	25%	0.245	41%	0.41	C	S	.	.	H	α-helix	trans	-72.1	-30	174.3	41.7	0	0	0	0	112.7	R638 F639 R644 L650 I658	R638-S642 PolarHBondContact O-N 3.21Å; R638-S642 PolarHBondContact O-OG 2.76Å; R638-S642 VanDerWaalsContact O-OG 3.08Å; F639-S642 WeakPolarHBondContact CA-OG 2.85Å; F639-S642 PolarHBondContact O-N 3.08Å; F639-S642 PolarHBondContact O-OG 2.99Å; S642-R644 VanDerWaalsContact C-N 3.34Å; S642-R644 PolarHBondContact O-N 3.29Å; S642-L650 WeakPolarHBondContact OG-CD1 3.44Å; S642-I658 WeakPolarHBondContact OG-CD1 3.31Å
643	D	83.8	Confident	81.6	Confident	10 Å²	10	89.3 Å²	89.3	5%	0.053	44%	0.443	C	S	.	.			trans	-79.7	79.2	176.2	-174.2	10.4	0	0	0	111.9	F639 V640 Q645 K646 S647 E648 L650 Y686	F639-D643 PolarHBondContact O-N 3.18Å; V640-D643 PolarHBondContact O-N 3.26Å; D643-Q645 PolarHBondContact O-N 2.89Å; D643-Q645 PolarHBondContact OD1-N 2.99Å; D643-K646 PolarHBondContact O-N 3.04Å; D643-K646 PolarHBondContact OD1-N 2.98Å; D643-K646 VanDerWaalsContact OD1-N 3.07Å; D643-K646 WeakPolarHBondContact OD2-CA 3.29Å; D643-S647 PolarHBondContact OD1-N 3.44Å; D643-S647 PolarHBondContact OD1-OG 3.44Å; D643-S647 VanDerWaalsContact OD1-OG 3.14Å; D643-S647 PolarHBondContact OD2-N 3Å; D643-E648 PolarHBondContact OD2-N 3.14Å; D643-L650 HydrophobicContact CB-CD2 4.01Å; D643-L650 HydrophobicContact CB-CG 4.38Å; D643-Y686 HydrophobicContact CB-CE1 4.07Å; D643-Y686 PolarHBondContact OD2-OH 3.34Å
644	R	78.4	Confident	81.7	Confident	234 Å²	234	87.6 Å²	87.6	88%	0.883	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.2	-22	177.3	-66.5	-176.7	179.1	-178.6	0.7	113.4	S642	S642-R644 VanDerWaalsContact C-N 3.34Å; S642-R644 PolarHBondContact O-N 3.29Å
645	Q	77	Confident	81.7	Confident	175 Å²	175	82.6 Å²	82.6	82%	0.818	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-4.8	-176.3	-61.8	-153	2.1	0	0	113.3	D643 S647	D643-Q645 PolarHBondContact O-N 2.89Å; D643-Q645 PolarHBondContact OD1-N 2.99Å; Q645-S647 PolarHBondContact O-N 2.96Å
646	K	75.9	Confident	81.7	Confident	186 Å²	186	86.1 Å²	86.1	81%	0.809	42%	0.419	S	S	*	.			trans	50.5	41.4	-173.5	-61.1	-176.7	177.4	-177.4	0	111.8	D643 E648	D643-K646 PolarHBondContact O-N 3.04Å; D643-K646 PolarHBondContact OD1-N 2.98Å; D643-K646 VanDerWaalsContact OD1-N 3.07Å; D643-K646 WeakPolarHBondContact OD2-CA 3.29Å; K646-E648 VanDerWaalsContact C-N 3.28Å
647	S	75.7	Confident	81.8	Confident	57 Å²	57	89.4 Å²	89.4	40%	0.399	43%	0.433	S	S	.	.			trans	-85.3	-5.3	-179.7	61.6	0	0	0	0	112.9	D643 Q645 R649	D643-S647 PolarHBondContact OD1-N 3.44Å; D643-S647 PolarHBondContact OD1-OG 3.44Å; D643-S647 VanDerWaalsContact OD1-OG 3.14Å; D643-S647 PolarHBondContact OD2-N 3Å; Q645-S647 PolarHBondContact O-N 2.96Å; S647-R649 PolarHBondContact O-N 3.15Å; S647-R649 PolarHBondContact OG-O 3.5Å; S647-R649 VanDerWaalsContact OG-O 3.13Å
648	E	78.8	Confident	81.8	Confident	126 Å²	126	87.7 Å²	87.7	59%	0.589	42%	0.416	S	S	*	.	S	Bend	trans	59.4	11.9	-176.3	-60.9	178.5	174.9	0	0	113.2	D643 K646 Y686	D643-E648 PolarHBondContact OD2-N 3.14Å; K646-E648 VanDerWaalsContact C-N 3.28Å; E648-Y686 WeakPolarHBondContact O-CD1 3.41Å; E648-Y686 WeakPolarHBondContact O-CE1 3.43Å
649	R	81.3	Confident	81.7	Confident	122 Å²	122	81.8 Å²	81.8	46%	0.46	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.4	145.2	-178.7	-65.2	-168.4	174.9	93.3	0.9	111.4	S647 I684	S647-R649 PolarHBondContact O-N 3.15Å; S647-R649 PolarHBondContact OG-O 3.5Å; S647-R649 VanDerWaalsContact OG-O 3.13Å; R649-I684 VanDerWaalsContact CA-O 3.31Å; R649-I684 WeakPolarHBondContact CA-O 3.34Å
650	L	83.5	Confident	81.5	Confident	7 Å²	7	86.4 Å²	86.4	4%	0.037	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	150	179.1	-73.7	170.1	0	0	0	111.4	F639 S642 D643 V655 I684 Y686	F639-L650 HydrophobicContact CB-CD1 4.22Å; F639-L650 HydrophobicContact CD1-CD1 3.73Å; F639-L650 HydrophobicContact CG-CD1 4.45Å; S642-L650 WeakPolarHBondContact OG-CD1 3.44Å; D643-L650 HydrophobicContact CB-CD2 4.01Å; D643-L650 HydrophobicContact CB-CG 4.38Å; L650-V655 HydrophobicContact CB-CG2 3.6Å; L650-I684 PolarHBondContact N-O 3.17Å; L650-I684 PolarHBondContact O-N 3.45Å; L650-Y686 HydrophobicContact CB-CD1 4.22Å; L650-Y686 HydrophobicContact CD1-CD1 3.68Å; L650-Y686 HydrophobicContact CD1-CE1 4.08Å; L650-Y686 HydrophobicContact CD1-CG 4.19Å; L650-Y686 HydrophobicContact CG-CD1 3.71Å; L650-Y686 HydrophobicContact CG-CE1 4.01Å
651	P	85.6	Confident	81.4	Confident	64 Å²	64	86.6 Å²	86.6	42%	0.416	42%	0.424	S	S	.	.			trans	-66.7	146.4	176.3	27.3	-32.4	0	0	0	111.3	E653 E654 V655	P651-E653 PolarHBondContact O-N 3.06Å; P651-E653 VanDerWaalsContact O-N 3.15Å; P651-E654 HydrophobicContact CG-CB 3.97Å; P651-E654 HydrophobicContact CG-CG 3.73Å; P651-E654 PolarHBondContact O-N 3.3Å; P651-V655 PolarHBondContact O-N 3.29Å; P651-V655 VanDerWaalsContact O-N 3.09Å
652	A	79.6	Confident	81.2	Confident	51 Å²	51	82.7 Å²	82.7	42%	0.421	41%	0.406	S	S	.	.	H	α-helix	trans	-57.5	-33.9	-172.3	0	0	0	0	0	114.3	R656 I684	A652-R656 VanDerWaalsContact O-CB 3.3Å; A652-R656 WeakPolarHBondContact O-CB 3.43Å; A652-R656 PolarHBondContact O-N 2.73Å; A652-I684 HydrophobicContact CB-CD1 3.64Å; A652-I684 HydrophobicContact CB-CG1 4.22Å
653	E	82.4	Confident	81.1	Confident	157 Å²	157	88.2 Å²	88.2	73%	0.734	43%	0.429	S	S	*	.	H	α-helix	trans	-67.5	-41.2	177.7	-63	-172	170.8	0	0	112.2	P651 R656 N657	P651-E653 PolarHBondContact O-N 3.06Å; P651-E653 VanDerWaalsContact O-N 3.15Å; E653-R656 PolarHBondContact O-N 3.28Å; E653-N657 WeakPolarHBondContact O-CB 3.45Å; E653-N657 PolarHBondContact O-N 3.44Å; E653-N657 PolarHBondContact O-ND2 3.03Å
654	E	82.4	Confident	81	Confident	93 Å²	93	88.6 Å²	88.6	44%	0.435	43%	0.431	S	S	.	.	H	α-helix	trans	-69	-42.1	177.7	-70.2	-176.8	179.1	0	0	110.9	P651 R656 N657 I658	P651-E654 HydrophobicContact CG-CB 3.97Å; P651-E654 HydrophobicContact CG-CG 3.73Å; P651-E654 PolarHBondContact O-N 3.3Å; E654-R656 VanDerWaalsContact C-N 3.32Å; E654-R656 PolarHBondContact O-N 2.67Å; E654-N657 PolarHBondContact O-N 2.98Å; E654-I658 VanDerWaalsContact O-CG1 3.31Å; E654-I658 WeakPolarHBondContact O-CG1 3.31Å; E654-I658 PolarHBondContact O-N 3.1Å
655	V	82.4	Confident	81	Confident	0 Å²	0	79.3 Å²	79.3	0%	0	40%	0.401	C	S	.	.	H	α-helix	trans	-59.7	-45.3	175.4	178.4	0	0	0	0	110.8	F639 L650 P651 N657 I658 C659 L675 I684 F689	F639-V655 HydrophobicContact CE1-CB 4.29Å; F639-V655 HydrophobicContact CE1-CG1 3.92Å; F639-V655 HydrophobicContact CE1-CG2 4.28Å; F639-V655 HydrophobicContact CZ-CG1 4.07Å; L650-V655 HydrophobicContact CB-CG2 3.6Å; P651-V655 PolarHBondContact O-N 3.29Å; P651-V655 VanDerWaalsContact O-N 3.09Å; V655-N657 VanDerWaalsContact C-N 3.34Å; V655-N657 PolarHBondContact O-N 2.94Å; V655-I658 PolarHBondContact O-N 2.83Å; V655-C659 WeakPolarHBondContact O-CB 3.22Å; V655-C659 PolarHBondContact O-N 3.32Å; V655-C659 PolarHBondContact O-SG 2.89Å; V655-L675 HydrophobicContact CB-CD2 4.44Å; V655-L675 HydrophobicContact CG1-CD2 3.57Å; V655-I684 HydrophobicContact CB-CD1 4.4Å; V655-I684 HydrophobicContact CG2-CB 4.26Å; V655-F689 HydrophobicContact CG1-CE1 4.48Å
656	R	82.4	Confident	81.2	Confident	75 Å²	75	71.8 Å²	71.8	28%	0.283	37%	0.366	S	S	.	.	H	α-helix	trans	-60.1	-42.5	175.7	-175.4	-179.4	-178.1	167.4	3.7	112.3	A652 E653 E654 C659 K660 E668 E672 L675	A652-R656 VanDerWaalsContact O-CB 3.3Å; A652-R656 WeakPolarHBondContact O-CB 3.43Å; A652-R656 PolarHBondContact O-N 2.73Å; E653-R656 PolarHBondContact O-N 3.28Å; E654-R656 VanDerWaalsContact C-N 3.32Å; E654-R656 PolarHBondContact O-N 2.67Å; R656-C659 PolarHBondContact O-N 3Å; R656-K660 HydrophobicContact CG-CD 4.48Å; R656-K660 WeakPolarHBondContact O-CG 3.4Å; R656-K660 PolarHBondContact O-N 3.22Å; R656-E668 IonicContact CZ-OE1 2.63Å; R656-E668 IonicContact NE-OE1 2.8Å; R656-E668 IonicContact NH2-OE1 2.94Å; R656-E668 PolarHBondContact NH2-OE1 3.2Å; R656-E672 IonicContact CZ-OE1 3.8Å; R656-E672 IonicContact NE-OE1 3.74Å; R656-E672 IonicContact NH1-OE1 2.73Å; R656-E672 PolarHBondContact NH1-OE1 3.34Å; R656-E672 IonicContact NH2-OE1 3.99Å; R656-E672 PolarHBondContact NH2-OE1 3Å; R656-L675 HydrophobicContact CB-CD1 4.33Å
657	N	85.3	Confident	81.4	Confident	102 Å²	102	64.6 Å²	64.6	55%	0.545	34%	0.339	S	S	.	.	H	α-helix	trans	-65.8	-39.9	179.5	-72.3	-21.5	0	0	0	111.8	E653 E654 V655 K660 A661	E653-N657 WeakPolarHBondContact O-CB 3.45Å; E653-N657 PolarHBondContact O-N 3.44Å; E653-N657 PolarHBondContact O-ND2 3.03Å; E654-N657 PolarHBondContact O-N 2.98Å; V655-N657 VanDerWaalsContact C-N 3.34Å; V655-N657 PolarHBondContact O-N 2.94Å; N657-K660 PolarHBondContact O-N 3.06Å; N657-A661 WeakPolarHBondContact O-CB 3.45Å; N657-A661 PolarHBondContact O-N 3.47Å
658	I	83.9	Confident	81.2	Confident	18 Å²	18	66.4 Å²	66.4	9%	0.092	34%	0.341	C	S	.	.	H	α-helix	trans	-66	-46.4	175.8	-65.3	164.9	0	0	0	110.3	L635 R638 F639 S642 E654 V655 K660 A661 F662	L635-I658 HydrophobicContact CD1-CG2 4.21Å; R638-I658 HydrophobicContact CB-CG2 4.39Å; R638-I658 HydrophobicContact CG-CG2 4.09Å; F639-I658 HydrophobicContact CD1-CB 4.28Å; F639-I658 HydrophobicContact CD1-CD1 3.52Å; F639-I658 HydrophobicContact CD1-CG1 4.5Å; F639-I658 HydrophobicContact CD1-CG2 3.98Å; F639-I658 HydrophobicContact CE1-CB 3.63Å; F639-I658 HydrophobicContact CE1-CD1 3.65Å; F639-I658 HydrophobicContact CE1-CG1 4.24Å; F639-I658 HydrophobicContact CE1-CG2 3.51Å; F639-I658 HydrophobicContact CE2-CG2 4.3Å; F639-I658 HydrophobicContact CZ-CB 4.12Å; F639-I658 HydrophobicContact CZ-CG2 3.7Å; S642-I658 WeakPolarHBondContact OG-CD1 3.31Å; E654-I658 VanDerWaalsContact O-CG1 3.31Å; E654-I658 WeakPolarHBondContact O-CG1 3.31Å; E654-I658 PolarHBondContact O-N 3.1Å; V655-I658 PolarHBondContact O-N 2.83Å; I658-K660 VanDerWaalsContact C-N 3.27Å; I658-K660 PolarHBondContact O-N 3.14Å; I658-A661 WeakPolarHBondContact O-CB 3.21Å; I658-A661 PolarHBondContact O-N 2.81Å; I658-A661 VanDerWaalsContact O-N 3.09Å; I658-F662 HydrophobicContact CG2-CD2 4.09Å; I658-F662 HydrophobicContact CG2-CE2 4.32Å; I658-F662 PolarHBondContact O-N 2.79Å
659	C	83.1	Confident	80.9	Confident	2 Å²	2	63.4 Å²	63.4	1%	0.014	33%	0.334	C	S	.	.	H	α-helix	trans	-56.7	-39.5	175.5	-73.3	0	0	0	0	112.9	V655 R656 M663 L664 L671	V655-C659 WeakPolarHBondContact O-CB 3.22Å; V655-C659 PolarHBondContact O-N 3.32Å; V655-C659 PolarHBondContact O-SG 2.89Å; R656-C659 PolarHBondContact O-N 3Å; C659-M663 PolarHBondContact O-N 3.23Å; C659-L664 HydrophobicContact CB-CD1 3.68Å; C659-L664 PolarHBondContact O-N 3.13Å; C659-L664 VanDerWaalsContact SG-CD1 3.56Å; C659-L671 HydrophobicContact CB-CD1 4.19Å; C659-L671 HydrophobicContact CB-CD2 4.45Å
660	K	81.7	Confident	80.8	Confident	96 Å²	96	57.6 Å²	57.6	42%	0.417	31%	0.312	S	S	.	.	H	α-helix	trans	-70.7	-39.7	174.3	-75.6	-178.2	175.6	-172.7	0	112.7	R656 N657 I658 F662 M663 E668	R656-K660 HydrophobicContact CG-CD 4.48Å; R656-K660 WeakPolarHBondContact O-CG 3.4Å; R656-K660 PolarHBondContact O-N 3.22Å; N657-K660 PolarHBondContact O-N 3.06Å; I658-K660 VanDerWaalsContact C-N 3.27Å; I658-K660 PolarHBondContact O-N 3.14Å; K660-F662 VanDerWaalsContact C-N 3.27Å; K660-F662 PolarHBondContact O-N 2.83Å; K660-M663 PolarHBondContact O-N 3.07Å; K660-E668 WeakPolarHBondContact CE-OE1 3.1Å; K660-E668 IonicContact NZ-OE1 3.99Å; K660-E668 PolarHBondContact NZ-OE1 3.34Å
661	A	82.8	Confident	80.6	Confident	80 Å²	80	57.9 Å²	57.9	66%	0.661	31%	0.313	S	S	*	.	H	α-helix	trans	-62.9	-36	178.7	0	0	0	0	0	112	N657 I658 M663	N657-A661 WeakPolarHBondContact O-CB 3.45Å; N657-A661 PolarHBondContact O-N 3.47Å; I658-A661 WeakPolarHBondContact O-CB 3.21Å; I658-A661 PolarHBondContact O-N 2.81Å; I658-A661 VanDerWaalsContact O-N 3.09Å; A661-M663 VanDerWaalsContact C-N 3.27Å
662	F	78.6	Confident	80.2	Confident	47 Å²	47	58.7 Å²	58.7	21%	0.206	31%	0.312	C	S	.	.	T	Hydrogen-bonded Turn	trans	-82	-1	174	-85	-92.6	0	0	0	114.2	L634 L635 R638 I658 K660 L664	L634-F662 HydrophobicContact CB-CE1 4.15Å; L634-F662 HydrophobicContact CD2-CE1 3.88Å; L634-F662 HydrophobicContact CD2-CZ 4.37Å; L634-F662 HydrophobicContact CG-CE1 3.88Å; L634-F662 HydrophobicContact CG-CZ 4.06Å; L635-F662 HydrophobicContact CD1-CB 3.93Å; L635-F662 HydrophobicContact CD1-CD1 4.23Å; L635-F662 HydrophobicContact CD1-CD2 3.71Å; L635-F662 HydrophobicContact CD1-CE2 4.28Å; L635-F662 HydrophobicContact CD1-CG 3.68Å; R638-F662 HydrophobicContact CB-CE2 3.67Å; R638-F662 HydrophobicContact CB-CZ 3.98Å; R638-F662 HydrophobicContact CG-CE2 3.82Å; R638-F662 HydrophobicContact CG-CZ 4.47Å; I658-F662 HydrophobicContact CG2-CD2 4.09Å; I658-F662 HydrophobicContact CG2-CE2 4.32Å; I658-F662 PolarHBondContact O-N 2.79Å; K660-F662 VanDerWaalsContact C-N 3.27Å; K660-F662 PolarHBondContact O-N 2.83Å; F662-L664 VanDerWaalsContact C-N 3.32Å; F662-L664 PolarHBondContact O-N 3.3Å
663	M	79.3	Confident	80	Confident	151 Å²	151	57.5 Å²	57.5	74%	0.744	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	46.9	179.2	-63.3	-69.3	-66.6	0	0	112.8	C659 K660 A661 P665	C659-M663 PolarHBondContact O-N 3.23Å; K660-M663 PolarHBondContact O-N 3.07Å; A661-M663 VanDerWaalsContact C-N 3.27Å; M663-P665 WeakPolarHBondContact O-CD 3.31Å; M663-P665 VanDerWaalsContact O-N 3.17Å
664	L	80.9	Confident	79.8	Confident	17 Å²	17	50.1 Å²	50.1	9%	0.089	27%	0.267	C	S	.	.			trans	-55.3	122.6	177.5	-81.9	166.6	0	0	0	109.9	L624 F629 L635 C659 F662 I666 L671	L624-L664 HydrophobicContact CD2-CD2 3.88Å; F629-L664 HydrophobicContact CD1-CD2 4Å; F629-L664 HydrophobicContact CE1-CD2 3.6Å; F629-L664 HydrophobicContact CE2-CD2 4.28Å; F629-L664 HydrophobicContact CZ-CD2 3.75Å; L635-L664 HydrophobicContact CD2-CD1 4.48Å; C659-L664 HydrophobicContact CB-CD1 3.68Å; C659-L664 PolarHBondContact O-N 3.13Å; C659-L664 VanDerWaalsContact SG-CD1 3.56Å; F662-L664 VanDerWaalsContact C-N 3.32Å; F662-L664 PolarHBondContact O-N 3.3Å; L664-I666 PolarHBondContact O-N 3.33Å; L664-L671 HydrophobicContact CD1-CD1 4.44Å
665	P	78.9	Confident	79.8	Confident	39 Å²	39	46.2 Å²	46.2	25%	0.253	25%	0.249	S	C	.	.			trans	-83.1	55.4	-172.2	35.4	-38.9	0	0	0	111.5	Y623 L624 N627 F629 M663	Y623-P665 WeakPolarHBondContact CB-O 3.35Å; L624-P665 HydrophobicContact CD2-CG 3.97Å; N627-P665 HydrophobicContact CB-CB 3.88Å; N627-P665 HydrophobicContact CB-CG 3.67Å; N627-P665 WeakPolarHBondContact ND2-CB 3.45Å; F629-P665 HydrophobicContact CB-CG 4.34Å; M663-P665 WeakPolarHBondContact O-CD 3.31Å; M663-P665 VanDerWaalsContact O-N 3.17Å
666	I	81	Confident	79.7	Confident	17 Å²	17	50.7 Å²	50.7	9%	0.087	28%	0.277	C	S	.	.	S	Bend	trans	-119.1	138.3	178.5	-58.1	170.8	0	0	0	108.2	A620 L624 L664 E668 L670 L671 L693	A620-I666 HydrophobicContact CB-CD1 4.16Å; L624-I666 HydrophobicContact CD1-CD1 4.12Å; L624-I666 HydrophobicContact CD2-CD1 4.1Å; L624-I666 HydrophobicContact CD2-CG1 4.07Å; L624-I666 HydrophobicContact CG-CD1 4.11Å; L624-I666 HydrophobicContact CG-CG1 4.18Å; L664-I666 PolarHBondContact O-N 3.33Å; I666-E668 PolarHBondContact O-N 3.19Å; I666-L670 HydrophobicContact CG2-CB 4.33Å; I666-L670 HydrophobicContact CG2-CD2 3.46Å; I666-L670 VanDerWaalsContact CG2-CD2 3.46Å; I666-L670 HydrophobicContact CG2-CG 4.49Å; I666-L671 HydrophobicContact CG2-CB 4.41Å; I666-L693 HydrophobicContact CD1-CD2 3.94Å
667	P	79.4	Confident	79.4	Confident	36 Å²	36	51.9 Å²	51.9	23%	0.234	29%	0.285	C	S	.	.			trans	-56.2	135.9	174.6	-24	33.5	0	0	0	112.5	Y623 S669 L670 L671	Y623-P667 HydrophobicContact CD2-CG 4.44Å; Y623-P667 HydrophobicContact CE2-CG 3.97Å; P667-S669 VanDerWaalsContact C-N 3.28Å; P667-S669 PolarHBondContact O-N 2.98Å; P667-L670 HydrophobicContact CB-CB 4.39Å; P667-L670 PolarHBondContact O-N 3.44Å; P667-L671 PolarHBondContact O-N 3.35Å
668	E	72.4	Confident	78.9	Confident	95 Å²	95	49.6 Å²	49.6	44%	0.444	27%	0.27	S	S	.	.	H	α-helix	trans	-60.7	-34.3	-173.1	-171.8	167.3	-155.3	0	0	113.1	R656 K660 I666 L670 L671 E672	R656-E668 IonicContact CZ-OE1 2.63Å; R656-E668 IonicContact NE-OE1 2.8Å; R656-E668 IonicContact NH2-OE1 2.94Å; R656-E668 PolarHBondContact NH2-OE1 3.2Å; K660-E668 WeakPolarHBondContact CE-OE1 3.1Å; K660-E668 IonicContact NZ-OE1 3.99Å; K660-E668 PolarHBondContact NZ-OE1 3.34Å; I666-E668 PolarHBondContact O-N 3.19Å; E668-L670 VanDerWaalsContact C-N 3.34Å; E668-L670 PolarHBondContact O-N 3.06Å; E668-L671 PolarHBondContact O-N 2.95Å; E668-E672 WeakPolarHBondContact O-CB 3.37Å; E668-E672 WeakPolarHBondContact O-CG 3.34Å; E668-E672 PolarHBondContact O-N 3.37Å
669	S	72.8	Confident	78.5	Confident	63 Å²	63	51 Å²	51	44%	0.441	28%	0.284	S	S	.	.	H	α-helix	trans	-65.7	-35.3	175.3	52	0	0	0	0	113.1	P667 A673	P667-S669 VanDerWaalsContact C-N 3.28Å; P667-S669 PolarHBondContact O-N 2.98Å; S669-A673 WeakPolarHBondContact O-CB 3.39Å; S669-A673 PolarHBondContact O-N 2.99Å; S669-A673 VanDerWaalsContact O-N 3.15Å
670	L	78.8	Confident	77.9	Confident	0 Å²	0	56.8 Å²	56.8	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-78.4	-35.9	178.4	-172.2	143	0	0	0	111.1	V619 A620 I666 P667 E668 A673 L674 Y711	V619-L670 HydrophobicContact CB-CD1 3.94Å; V619-L670 HydrophobicContact CG1-CD1 3.51Å; A620-L670 HydrophobicContact CB-CD2 3.77Å; I666-L670 HydrophobicContact CG2-CB 4.33Å; I666-L670 HydrophobicContact CG2-CD2 3.46Å; I666-L670 VanDerWaalsContact CG2-CD2 3.46Å; I666-L670 HydrophobicContact CG2-CG 4.49Å; P667-L670 HydrophobicContact CB-CB 4.39Å; P667-L670 PolarHBondContact O-N 3.44Å; E668-L670 VanDerWaalsContact C-N 3.34Å; E668-L670 PolarHBondContact O-N 3.06Å; L670-A673 PolarHBondContact O-N 3.07Å; L670-L674 HydrophobicContact CD2-CD1 3.65Å; L670-L674 HydrophobicContact CD2-CG 4.3Å; L670-L674 WeakPolarHBondContact O-CB 3.38Å; L670-L674 WeakPolarHBondContact O-CG 3.44Å; L670-L674 PolarHBondContact O-N 3.4Å; L670-Y711 HydrophobicContact CB-CD1 4.48Å; L670-Y711 HydrophobicContact CD1-CD1 3.84Å; L670-Y711 HydrophobicContact CD1-CD2 4.09Å; L670-Y711 HydrophobicContact CD1-CE1 4.17Å; L670-Y711 HydrophobicContact CD1-CE2 4.4Å; L670-Y711 HydrophobicContact CD1-CG 3.79Å
671	L	79.4	Confident	77.1	Confident	12 Å²	12	56.9 Å²	56.9	6%	0.063	34%	0.343	C	S	.	.	H	α-helix	trans	-64.6	-42.9	172.4	-173.1	117	0	0	0	111.4	C659 L664 I666 P667 E668 L674 L675	C659-L671 HydrophobicContact CB-CD1 4.19Å; C659-L671 HydrophobicContact CB-CD2 4.45Å; L664-L671 HydrophobicContact CD1-CD1 4.44Å; I666-L671 HydrophobicContact CG2-CB 4.41Å; P667-L671 PolarHBondContact O-N 3.35Å; E668-L671 PolarHBondContact O-N 2.95Å; L671-L674 PolarHBondContact O-N 3.12Å; L671-L675 HydrophobicContact CD2-CD1 3.76Å; L671-L675 HydrophobicContact CG-CD1 4.16Å; L671-L675 WeakPolarHBondContact O-CB 3.4Å; L671-L675 WeakPolarHBondContact O-CG 3.36Å; L671-L675 PolarHBondContact O-N 3.39Å
672	E	76.8	Confident	76.2	Confident	82 Å²	82	56.1 Å²	56.1	38%	0.383	34%	0.343	S	S	.	.	H	α-helix	trans	-62.8	-44.6	175.7	-76.9	-178.9	165.4	0	0	111.9	R656 E668 L675 T676	R656-E672 IonicContact CZ-OE1 3.8Å; R656-E672 IonicContact NE-OE1 3.74Å; R656-E672 IonicContact NH1-OE1 2.73Å; R656-E672 PolarHBondContact NH1-OE1 3.34Å; R656-E672 IonicContact NH2-OE1 3.99Å; R656-E672 PolarHBondContact NH2-OE1 3Å; E668-E672 WeakPolarHBondContact O-CB 3.37Å; E668-E672 WeakPolarHBondContact O-CG 3.34Å; E668-E672 PolarHBondContact O-N 3.37Å; E672-L675 PolarHBondContact O-N 3.02Å; E672-T676 PolarHBondContact O-N 3.13Å; E672-T676 PolarHBondContact O-OG1 3.36Å
673	A	75.5	Confident	76.2	Confident	26 Å²	26	54.9 Å²	54.9	22%	0.215	34%	0.344	C	S	.	.	H	α-helix	trans	-63.7	-40	177.4	0	0	0	0	0	112.6	M616 S669 L670 T676 E677	M616-A673 HydrophobicContact SD-CB 3.79Å; S669-A673 WeakPolarHBondContact O-CB 3.39Å; S669-A673 PolarHBondContact O-N 2.99Å; S669-A673 VanDerWaalsContact O-N 3.15Å; L670-A673 PolarHBondContact O-N 3.07Å; A673-T676 WeakPolarHBondContact CA-OG1 3.42Å; A673-T676 PolarHBondContact O-N 3.39Å; A673-T676 PolarHBondContact O-OG1 3.42Å; A673-E677 WeakPolarHBondContact O-CG 3.29Å; A673-E677 PolarHBondContact O-N 3.29Å
674	L	78.4	Confident	76.3	Confident	1 Å²	1	47.8 Å²	47.8	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-65.1	-44.5	173.4	-77.6	174.8	0	0	0	111.8	M616 L617 A620 L670 L671 T676 E677 Y678 F689	M616-L674 HydrophobicContact CB-CD2 3.54Å; M616-L674 HydrophobicContact CB-CG 4.1Å; M616-L674 HydrophobicContact SD-CD2 4.47Å; L617-L674 HydrophobicContact CD2-CD1 4.46Å; L617-L674 HydrophobicContact CD2-CD2 3.86Å; L617-L674 HydrophobicContact CG-CD2 3.96Å; A620-L674 HydrophobicContact CB-CD1 3.8Å; L670-L674 HydrophobicContact CD2-CD1 3.65Å; L670-L674 HydrophobicContact CD2-CG 4.3Å; L670-L674 WeakPolarHBondContact O-CB 3.38Å; L670-L674 WeakPolarHBondContact O-CG 3.44Å; L670-L674 PolarHBondContact O-N 3.4Å; L671-L674 PolarHBondContact O-N 3.12Å; L674-T676 PolarHBondContact O-N 3.2Å; L674-E677 PolarHBondContact O-N 3.04Å; L674-E677 VanDerWaalsContact O-N 3.13Å; L674-Y678 WeakPolarHBondContact O-CD2 3.16Å; L674-Y678 PolarHBondContact O-N 3.29Å; L674-F689 HydrophobicContact CB-CE2 4.33Å
675	L	81.4	Confident	76.5	Confident	12 Å²	12	49.9 Å²	49.9	6%	0.063	32%	0.32	C	S	.	.	H	α-helix	trans	-63.3	-30.1	179.5	-70.7	171.9	0	0	0	112.6	V655 R656 L671 E672 A679 I684 F689	V655-L675 HydrophobicContact CB-CD2 4.44Å; V655-L675 HydrophobicContact CG1-CD2 3.57Å; R656-L675 HydrophobicContact CB-CD1 4.33Å; L671-L675 HydrophobicContact CD2-CD1 3.76Å; L671-L675 HydrophobicContact CG-CD1 4.16Å; L671-L675 WeakPolarHBondContact O-CB 3.4Å; L671-L675 WeakPolarHBondContact O-CG 3.36Å; L671-L675 PolarHBondContact O-N 3.39Å; E672-L675 PolarHBondContact O-N 3.02Å; L675-A679 VanDerWaalsContact O-CB 3.31Å; L675-A679 WeakPolarHBondContact O-CB 3.48Å; L675-A679 PolarHBondContact O-N 3Å; L675-I684 HydrophobicContact CB-CD1 3.93Å; L675-I684 HydrophobicContact CD2-CD1 3.65Å; L675-I684 HydrophobicContact CD2-CG2 4.49Å; L675-I684 HydrophobicContact CG-CD1 4.31Å; L675-F689 HydrophobicContact CD2-CD2 4.26Å; L675-F689 HydrophobicContact CD2-CE1 4.2Å; L675-F689 HydrophobicContact CD2-CE2 3.78Å; L675-F689 HydrophobicContact CD2-CZ 3.74Å; L675-F689 HydrophobicContact CG-CE2 4.39Å; L675-F689 HydrophobicContact CG-CZ 4.42Å
676	T	80.3	Confident	76.6	Confident	93 Å²	93	48.4 Å²	48.4	57%	0.571	31%	0.309	S	S	*	.	H	α-helix	trans	-71.3	-29.9	175.2	47	0	0	0	0	113.6	E672 A673 L674	E672-T676 PolarHBondContact O-N 3.13Å; E672-T676 PolarHBondContact O-OG1 3.36Å; A673-T676 WeakPolarHBondContact CA-OG1 3.42Å; A673-T676 PolarHBondContact O-N 3.39Å; A673-T676 PolarHBondContact O-OG1 3.42Å; L674-T676 PolarHBondContact O-N 3.2Å
677	E	76.4	Confident	76.6	Confident	100 Å²	100	51.6 Å²	51.6	47%	0.467	32%	0.324	S	S	.	.	H	α-helix	trans	-79.8	-30.6	178.9	-67.2	-67	146.7	0	0	112.3	V613 M616 A673 L674 A679	V613-E677 HydrophobicContact CG1-CB 4.3Å; V613-E677 HydrophobicContact CG2-CB 4.06Å; V613-E677 HydrophobicContact CG2-CG 3.78Å; V613-E677 WeakPolarHBondContact CG2-OE2 3.35Å; M616-E677 HydrophobicContact CE-CG 4.12Å; A673-E677 WeakPolarHBondContact O-CG 3.29Å; A673-E677 PolarHBondContact O-N 3.29Å; L674-E677 PolarHBondContact O-N 3.04Å; L674-E677 VanDerWaalsContact O-N 3.13Å; E677-A679 VanDerWaalsContact C-N 3.27Å
678	Y	74.5	Confident	76.7	Confident	54 Å²	54	51 Å²	51	21%	0.212	33%	0.325	C	S	.	.	S	Bend	trans	-86.7	5.4	173.5	-74.9	-90	0	0	0	113.3	L617 L674 F689	L617-Y678 WeakPolarHBondContact CD1-OH 3.35Å; L617-Y678 HydrophobicContact CD2-CE2 4.15Å; L674-Y678 WeakPolarHBondContact O-CD2 3.16Å; L674-Y678 PolarHBondContact O-N 3.29Å; Y678-F689 HydrophobicContact CD2-CD2 4.08Å; Y678-F689 HydrophobicContact CE2-CD2 4.49Å; Y678-F689 HydrophobicContact CG-CD2 4.32Å
679	A	76.8	Confident	77.2	Confident	47 Å²	47	46.6 Å²	46.6	39%	0.388	30%	0.304	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95	101.9	179	0	0	0	0	0	111.1	L675 E677 I684	L675-A679 VanDerWaalsContact O-CB 3.31Å; L675-A679 WeakPolarHBondContact O-CB 3.48Å; L675-A679 PolarHBondContact O-N 3Å; E677-A679 VanDerWaalsContact C-N 3.27Å; A679-I684 HydrophobicContact CB-CG1 4.15Å
680	D	69.1	Low	77.8	Confident	124 Å²	124	44.2 Å²	44.2	66%	0.663	29%	0.287	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.8	160.7	165.1	-74.6	-36.5	0	0	0	110.5	G682 G683	D680-G682 PolarHBondContact O-N 2.98Å; D680-G683 PolarHBondContact O-N 3.07Å
681	G	64.5	Low	78	Confident	98 Å²	98	45.9 Å²	45.9	100%	1.01	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.4	4.3	-167.8	0	0	0	0	0	118.6
682	G	63.9	Low	78	Confident	65 Å²	65	46 Å²	46	67%	0.67	30%	0.304	S	S	*	.	T	Hydrogen-bonded Turn	trans	-118.7	8	171.8	0	0	0	0	0	115.8	D680	D680-G682 PolarHBondContact O-N 2.98Å
683	G	79.6	Confident	78.3	Confident	21 Å²	21	42.1 Å²	42.1	22%	0.216	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.5	172.7	-178.3	0	0	0	0	0	113.2	D680	D680-G683 PolarHBondContact O-N 3.07Å
684	I	82.4	Confident	78.7	Confident	1 Å²	1	41.3 Å²	41.3	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	127.8	-178.3	-57.5	-173.9	0	0	0	109.6	R649 L650 A652 V655 L675 A679 Y686	R649-I684 VanDerWaalsContact CA-O 3.31Å; R649-I684 WeakPolarHBondContact CA-O 3.34Å; L650-I684 PolarHBondContact N-O 3.17Å; L650-I684 PolarHBondContact O-N 3.45Å; A652-I684 HydrophobicContact CB-CD1 3.64Å; A652-I684 HydrophobicContact CB-CG1 4.22Å; V655-I684 HydrophobicContact CB-CD1 4.4Å; V655-I684 HydrophobicContact CG2-CB 4.26Å; L675-I684 HydrophobicContact CB-CD1 3.93Å; L675-I684 HydrophobicContact CD2-CD1 3.65Å; L675-I684 HydrophobicContact CD2-CG2 4.49Å; L675-I684 HydrophobicContact CG-CD1 4.31Å; A679-I684 HydrophobicContact CB-CG1 4.15Å; I684-Y686 PolarHBondContact O-N 3.17Å; I684-Y686 VanDerWaalsContact O-N 3.1Å
685	D	83.8	Confident	78.7	Confident	62 Å²	62	44 Å²	44	33%	0.332	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70	99.5	167.4	178.3	-1.2	0	0	0	109.4	H687 G688 F689	D685-H687 PolarHBondContact OD1-N 3.06Å; D685-H687 VanDerWaalsContact OD1-N 3.07Å; D685-G688 PolarHBondContact OD1-N 3.28Å; D685-F689 VanDerWaalsContact O-CB 3.27Å; D685-F689 WeakPolarHBondContact O-CB 3.37Å; D685-F689 PolarHBondContact O-N 3.37Å
686	Y	82	Confident	78.5	Confident	7 Å²	7	48.2 Å²	48.2	3%	0.027	31%	0.311	C	S	.	.	H	α-helix	trans	-77.1	-23.2	-176.2	66.5	-100.7	0	0	0	112.3	F639 V640 D643 E648 L650 I684 V690	F639-Y686 HydrophobicContact CB-CD2 3.42Å; F639-Y686 VanDerWaalsContact CB-CD2 3.42Å; F639-Y686 HydrophobicContact CB-CE2 3.81Å; F639-Y686 HydrophobicContact CB-CG 3.89Å; F639-Y686 HydrophobicContact CG-CD2 4.08Å; F639-Y686 HydrophobicContact CG-CG 4.25Å; V640-Y686 HydrophobicContact CG2-CE2 4.17Å; D643-Y686 HydrophobicContact CB-CE1 4.07Å; D643-Y686 PolarHBondContact OD2-OH 3.34Å; E648-Y686 WeakPolarHBondContact O-CD1 3.41Å; E648-Y686 WeakPolarHBondContact O-CE1 3.43Å; L650-Y686 HydrophobicContact CB-CD1 4.22Å; L650-Y686 HydrophobicContact CD1-CD1 3.68Å; L650-Y686 HydrophobicContact CD1-CE1 4.08Å; L650-Y686 HydrophobicContact CD1-CG 4.19Å; L650-Y686 HydrophobicContact CG-CD1 3.71Å; L650-Y686 HydrophobicContact CG-CE1 4.01Å; I684-Y686 PolarHBondContact O-N 3.17Å; I684-Y686 VanDerWaalsContact O-N 3.1Å; Y686-V690 WeakPolarHBondContact O-CB 3.27Å; Y686-V690 VanDerWaalsContact O-CG2 3.23Å; Y686-V690 WeakPolarHBondContact O-CG2 3.17Å; Y686-V690 PolarHBondContact O-N 3.31Å
687	H	81.1	Confident	78.2	Confident	85 Å²	85	49.9 Å²	49.9	39%	0.394	31%	0.312	S	S	.	.	H	α-helix	trans	-72	-46.6	175.1	-84.9	-72.1	0	0	0	110.3	D685 V690 A691	D685-H687 PolarHBondContact OD1-N 3.06Å; D685-H687 VanDerWaalsContact OD1-N 3.07Å; H687-V690 PolarHBondContact O-N 3Å; H687-A691 VanDerWaalsContact O-CB 3.26Å; H687-A691 WeakPolarHBondContact O-CB 3.45Å; H687-A691 PolarHBondContact O-N 3.49Å
688	G	80.9	Confident	78.3	Confident	24 Å²	24	50.3 Å²	50.3	25%	0.247	31%	0.313	C	S	.	.	H	α-helix	trans	-62.2	-40.1	173.2	0	0	0	0	0	112.9	D685 G692	D685-G688 PolarHBondContact OD1-N 3.28Å; G688-G692 PolarHBondContact O-N 3.37Å
689	F	83.6	Confident	78.4	Confident	2 Å²	2	52 Å²	52	1%	0.009	33%	0.331	C	S	.	.	H	α-helix	trans	-64.6	-47.3	176.9	178.6	-106	0	0	0	112.8	V655 L674 L675 Y678 D685 G692 L693	V655-F689 HydrophobicContact CG1-CE1 4.48Å; L674-F689 HydrophobicContact CB-CE2 4.33Å; L675-F689 HydrophobicContact CD2-CD2 4.26Å; L675-F689 HydrophobicContact CD2-CE1 4.2Å; L675-F689 HydrophobicContact CD2-CE2 3.78Å; L675-F689 HydrophobicContact CD2-CZ 3.74Å; L675-F689 HydrophobicContact CG-CE2 4.39Å; L675-F689 HydrophobicContact CG-CZ 4.42Å; Y678-F689 HydrophobicContact CD2-CD2 4.08Å; Y678-F689 HydrophobicContact CE2-CD2 4.49Å; Y678-F689 HydrophobicContact CG-CD2 4.32Å; D685-F689 VanDerWaalsContact O-CB 3.27Å; D685-F689 WeakPolarHBondContact O-CB 3.37Å; D685-F689 PolarHBondContact O-N 3.37Å; F689-G692 PolarHBondContact O-N 3.28Å; F689-L693 HydrophobicContact CD1-CD1 4.12Å; F689-L693 HydrophobicContact CE1-CD1 3.54Å; F689-L693 HydrophobicContact CE2-CD1 4.18Å; F689-L693 HydrophobicContact CZ-CD1 3.58Å; F689-L693 HydrophobicContact CZ-CG 4.43Å; F689-L693 WeakPolarHBondContact O-CG 3.46Å; F689-L693 PolarHBondContact O-N 3.12Å; F689-L693 VanDerWaalsContact O-N 3.12Å
690	V	84.9	Confident	78.3	Confident	13 Å²	13	50.9 Å²	50.9	8%	0.079	32%	0.322	C	S	.	.	H	α-helix	trans	-67.1	-38.9	177.9	174.4	0	0	0	0	111.1	L635 F639 Y686 H687 G692 L693 N694	L635-V690 HydrophobicContact CD2-CG2 4.13Å; F639-V690 HydrophobicContact CD2-CG2 3.7Å; F639-V690 HydrophobicContact CE2-CG2 3.61Å; Y686-V690 WeakPolarHBondContact O-CB 3.27Å; Y686-V690 VanDerWaalsContact O-CG2 3.23Å; Y686-V690 WeakPolarHBondContact O-CG2 3.17Å; Y686-V690 PolarHBondContact O-N 3.31Å; H687-V690 PolarHBondContact O-N 3Å; V690-G692 VanDerWaalsContact C-N 3.33Å; V690-G692 PolarHBondContact O-N 3.43Å; V690-L693 PolarHBondContact O-N 3.11Å; V690-N694 WeakPolarHBondContact O-CB 3.23Å; V690-N694 PolarHBondContact O-N 2.89Å
691	A	82.6	Confident	78.4	Confident	35 Å²	35	50 Å²	50	29%	0.289	32%	0.323	S	S	.	.	H	α-helix	trans	-61.5	-40.2	174.3	0	0	0	0	0	112.1	H687 L693 N694	H687-A691 VanDerWaalsContact O-CB 3.26Å; H687-A691 WeakPolarHBondContact O-CB 3.45Å; H687-A691 PolarHBondContact O-N 3.49Å; A691-L693 VanDerWaalsContact C-N 3.33Å; A691-L693 PolarHBondContact O-N 3.36Å; A691-N694 PolarHBondContact O-N 3.11Å
692	G	80.1	Confident	78.4	Confident	14 Å²	14	50.3 Å²	50.3	14%	0.144	32%	0.316	C	S	.	.	H	α-helix	trans	-66.5	-30.6	175.7	0	0	0	0	0	114	Q621 G688 F689 V690	Q621-G692 PolarHBondContact NE2-O 3.31Å; G688-G692 PolarHBondContact O-N 3.37Å; F689-G692 PolarHBondContact O-N 3.28Å; V690-G692 VanDerWaalsContact C-N 3.33Å; V690-G692 PolarHBondContact O-N 3.43Å
693	L	82.1	Confident	78.6	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	29%	0.293	C	S	.	.	H	α-helix	trans	-82.5	-23.6	174.6	-67.8	178	0	0	0	113.2	A620 L624 Y632 I666 F689 V690 A691 W695	A620-L693 HydrophobicContact CB-CD2 3.97Å; L624-L693 HydrophobicContact CD1-CB 4.06Å; L624-L693 HydrophobicContact CD1-CD2 4.1Å; Y632-L693 HydrophobicContact CE1-CB 4.42Å; I666-L693 HydrophobicContact CD1-CD2 3.94Å; F689-L693 HydrophobicContact CD1-CD1 4.12Å; F689-L693 HydrophobicContact CE1-CD1 3.54Å; F689-L693 HydrophobicContact CE2-CD1 4.18Å; F689-L693 HydrophobicContact CZ-CD1 3.58Å; F689-L693 HydrophobicContact CZ-CG 4.43Å; F689-L693 WeakPolarHBondContact O-CG 3.46Å; F689-L693 PolarHBondContact O-N 3.12Å; F689-L693 VanDerWaalsContact O-N 3.12Å; V690-L693 PolarHBondContact O-N 3.11Å; A691-L693 VanDerWaalsContact C-N 3.33Å; A691-L693 PolarHBondContact O-N 3.36Å; L693-W695 PolarHBondContact O-N 3.16Å
694	N	83.7	Confident	78	Confident	9 Å²	9	54.1 Å²	54.1	5%	0.048	31%	0.314	C	S	.	.			trans	-73.3	89.4	-177.9	-170.4	0.2	0	0	0	111.5	Y632 V690 A691 L696 E697 H698	Y632-N694 HydrophobicContact CD1-CB 4.32Å; Y632-N694 HydrophobicContact CG-CB 4.39Å; V690-N694 WeakPolarHBondContact O-CB 3.23Å; V690-N694 PolarHBondContact O-N 2.89Å; A691-N694 PolarHBondContact O-N 3.11Å; N694-L696 PolarHBondContact O-N 3.36Å; N694-L696 WeakPolarHBondContact OD1-CB 3.38Å; N694-L696 PolarHBondContact OD1-N 3.03Å; N694-E697 VanDerWaalsContact ND2-CD 3.27Å; N694-E697 WeakPolarHBondContact ND2-CG 3.43Å; N694-E697 PolarHBondContact ND2-OE2 2.87Å; N694-E697 PolarHBondContact O-N 3.47Å; N694-H698 PolarHBondContact O-N 3.27Å
695	W	78.8	Confident	76.9	Confident	58 Å²	58	59 Å²	59	22%	0.22	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	-71.1	-11.8	-179.7	70.3	-89.6	0	0	0	114.4	Q621 R625 Y632 L693	Q621-W695 HydrophobicContact CB-CB 4.12Å; Q621-W695 HydrophobicContact CG-CB 4.01Å; R625-W695 HydrophobicContact CG-CB 4.49Å; R625-W695 HydrophobicContact CG-CD2 3.39Å; R625-W695 HydrophobicContact CG-CE3 3.72Å; R625-W695 HydrophobicContact CG-CG 3.76Å; R625-W695 HydrophobicContact CG-CH2 4.21Å; R625-W695 HydrophobicContact CG-CZ2 3.96Å; R625-W695 HydrophobicContact CG-CZ3 4.1Å; Y632-W695 AromaticContact CZ-CD1 3.95Å; Y632-W695 PolarHBondContact OH-NE1 3.44Å; L693-W695 PolarHBondContact O-N 3.16Å
696	L	77.2	Confident	75.8	Confident	100 Å²	100	61.7 Å²	61.7	52%	0.524	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-40.9	177.3	-69.6	166.3	0	0	0	111.5	N694	N694-L696 PolarHBondContact O-N 3.36Å; N694-L696 WeakPolarHBondContact OD1-CB 3.38Å; N694-L696 PolarHBondContact OD1-N 3.03Å
697	E	74.6	Confident	74.8	Confident	128 Å²	128	63.4 Å²	63.4	60%	0.598	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.4	-33	-179.8	-66.7	-179.5	162.3	0	0	111.9	N694	N694-E697 VanDerWaalsContact ND2-CD 3.27Å; N694-E697 WeakPolarHBondContact ND2-CG 3.43Å; N694-E697 PolarHBondContact ND2-OE2 2.87Å; N694-E697 PolarHBondContact O-N 3.47Å
698	H	77.4	Confident	73.9	Confident	108 Å²	108	60.2 Å²	60.2	50%	0.5	35%	0.354	S	S	.	.	S	Bend	trans	-134.5	79.1	-177.5	-60.3	-39.4	0	0	0	112.5	Q621 N694 A700	Q621-H698 PolarHBondContact NE2-O 3.32Å; N694-H698 PolarHBondContact O-N 3.27Å; H698-A700 PolarHBondContact O-N 3.05Å
699	P	77.1	Confident	72.8	Confident	91 Å²	91	63.2 Å²	63.2	59%	0.591	36%	0.364	S	S	*	.	P	Polyproline II helix	trans	-72.7	125.3	-179.4	28.6	-34	0	0	0	112.5	R625	R625-P699 VanDerWaalsContact NH2-CB 3.33Å
700	A	74	Confident	71.7	Confident	23 Å²	23	69.6 Å²	69.6	19%	0.19	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-78.8	158.7	172.2	0	0	0	0	0	112.2	Q621 H698	Q621-A700 VanDerWaalsContact OE1-CB 3.26Å; H698-A700 PolarHBondContact O-N 3.05Å
701	P	72.7	Confident	70.3	Confident	104 Å²	104	70.6 Å²	70.6	68%	0.675	39%	0.394	S	S	*	.	P	Polyproline II helix	trans	-61.1	153.8	177.6	22.4	-32	0	0	0	113.1
702	A	63.6	Low	68.5	Low	105 Å²	105	73.2 Å²	73.2	87%	0.868	40%	0.401	S	S	*	.	P	Polyproline II helix	trans	-69	138.4	-175.8	0	0	0	0	0	112.6
703	V	68.3	Low	66.6	Low	30 Å²	30	76.6 Å²	76.6	18%	0.182	42%	0.418	C	S	.	.	P	Polyproline II helix	trans	-97	140.2	-174.7	-168.1	0	0	0	0	111.5	S618 V619 D707 I708	S618-V703 VanDerWaalsContact C-CG2 3.43Å; S618-V703 WeakPolarHBondContact O-CG2 3.5Å; S618-V703 WeakPolarHBondContact OG-CG2 3.07Å; V619-V703 HydrophobicContact CG2-CG1 3.85Å; V619-V703 HydrophobicContact CG2-CG2 4.45Å; V703-D707 HydrophobicContact CG1-CB 4.03Å; V703-I708 HydrophobicContact CG1-CG1 4.06Å
704	M	66.8	Low	64.3	Low	136 Å²	136	80.9 Å²	80.9	67%	0.67	45%	0.448	S	S	*	.	P	Polyproline II helix	trans	-77.4	150	173.9	-60.8	-64.2	-87.3	0	0	111.5	D706 D707	M704-D706 VanDerWaalsContact C-N 3.27Å; M704-D706 PolarHBondContact O-N 2.89Å; M704-D707 PolarHBondContact O-N 3.31Å
705	T	59.4	Low	61.9	Low	105 Å²	105	84.6 Å²	84.6	64%	0.644	48%	0.48	S	S	*	.	H	α-helix	trans	-61.4	-30.8	-175.4	42.2	0	0	0	0	113.8	D707 I708 L709	T705-D707 PolarHBondContact O-N 3.39Å; T705-I708 PolarHBondContact O-N 3.5Å; T705-L709 PolarHBondContact O-N 3.01Å
706	D	60.3	Low	59.8	Low	117 Å²	117	91.9 Å²	91.9	63%	0.626	51%	0.508	S	S	*	.	H	α-helix	trans	-69.4	-29.4	178.6	-69.4	-23	0	0	0	113.6	M704	M704-D706 VanDerWaalsContact C-N 3.27Å; M704-D706 PolarHBondContact O-N 2.89Å
707	D	62.7	Low	57.7	Low	43 Å²	43	97 Å²	97	23%	0.23	53%	0.526	C	S	.	.	H	α-helix	trans	-80.3	-24.4	179.3	-67.9	-41.6	0	0	0	112.3	V703 M704 T705 K710 Y711	V703-D707 HydrophobicContact CG1-CB 4.03Å; M704-D707 PolarHBondContact O-N 3.31Å; T705-D707 PolarHBondContact O-N 3.39Å; D707-K710 IonicContact OD1-NZ 2.72Å; D707-K710 PolarHBondContact OD1-NZ 2.8Å; D707-Y711 WeakPolarHBondContact O-CD2 3.41Å
708	I	60.6	Low	55.6	Low	19 Å²	19	97.2 Å²	97.2	10%	0.097	53%	0.531	C	S	.	.	H	α-helix	trans	-69.6	-40.1	171.9	-58.5	170.3	0	0	0	110.3	V703 T705 K710 Y711 E712	V703-I708 HydrophobicContact CG1-CG1 4.06Å; T705-I708 PolarHBondContact O-N 3.5Å; I708-K710 VanDerWaalsContact C-N 3.32Å; I708-K710 PolarHBondContact O-N 3.35Å; I708-Y711 PolarHBondContact O-N 3.04Å; I708-E712 PolarHBondContact O-N 3.04Å
709	L	58.6	Low	53.4	Low	86 Å²	86	94 Å²	94	45%	0.45	53%	0.527	S	S	.	.	H	α-helix	trans	-67.1	-28.7	-179.5	-70.3	171.6	0	0	0	113	T705 Y711 E712 V713	T705-L709 PolarHBondContact O-N 3.01Å; L709-Y711 VanDerWaalsContact C-N 3.27Å; L709-Y711 PolarHBondContact O-N 3.21Å; L709-E712 PolarHBondContact O-N 3.36Å; L709-V713 VanDerWaalsContact O-CB 3.31Å; L709-V713 WeakPolarHBondContact O-CB 3.42Å; L709-V713 VanDerWaalsContact O-CG2 3.22Å; L709-V713 WeakPolarHBondContact O-CG2 3.41Å; L709-V713 PolarHBondContact O-N 3.49Å
710	K	60.3	Low	51.6	Low	136 Å²	136	93.6 Å²	93.6	59%	0.591	54%	0.539	S	S	*	.	H	α-helix	trans	-59.2	-37.5	174.8	-75.6	175	-174.6	156.2	0	112.7	D707 I708 S714	D707-K710 IonicContact OD1-NZ 2.72Å; D707-K710 PolarHBondContact OD1-NZ 2.8Å; I708-K710 VanDerWaalsContact C-N 3.32Å; I708-K710 PolarHBondContact O-N 3.35Å; K710-S714 PolarHBondContact O-OG 3.18Å
711	Y	54.9	Low	49.8	Very low	34 Å²	34	101.9 Å²	101.9	13%	0.133	57%	0.566	C	S	.	*	H	α-helix	trans	-90.6	-18	179.8	-64.3	-79.4	0	0	0	113.7	E611 V619 L670 D707 I708 L709	E611-Y711 WeakPolarHBondContact OE2-CE1 3.15Å; E611-Y711 PolarHBondContact OE2-OH 3.17Å; V619-Y711 HydrophobicContact CG1-CD2 4.27Å; V619-Y711 HydrophobicContact CG2-CD2 4.35Å; V619-Y711 HydrophobicContact CG2-CE2 4.34Å; L670-Y711 HydrophobicContact CB-CD1 4.48Å; L670-Y711 HydrophobicContact CD1-CD1 3.84Å; L670-Y711 HydrophobicContact CD1-CD2 4.09Å; L670-Y711 HydrophobicContact CD1-CE1 4.17Å; L670-Y711 HydrophobicContact CD1-CE2 4.4Å; L670-Y711 HydrophobicContact CD1-CG 3.79Å; D707-Y711 WeakPolarHBondContact O-CD2 3.41Å; I708-Y711 PolarHBondContact O-N 3.04Å; L709-Y711 VanDerWaalsContact C-N 3.27Å; L709-Y711 PolarHBondContact O-N 3.21Å
712	E	45.5	Very low	48.1	Very low	91 Å²	91	99.5 Å²	99.5	43%	0.425	55%	0.552	S	S	.	*	H	α-helix	trans	-81.9	-34.7	171.6	-73.4	-169.5	153.1	0	0	113.2	Y623 I708 L709	Y623-E712 WeakPolarHBondContact OH-CG 3.19Å; Y623-E712 PolarHBondContact OH-OE1 3.21Å; I708-E712 PolarHBondContact O-N 3.04Å; L709-E712 PolarHBondContact O-N 3.36Å
713	V	39.7	Very low	47.1	Very low	85 Å²	85	96.8 Å²	96.8	52%	0.515	53%	0.529	S	S	.	.	H	α-helix	trans	-87.8	-15.1	-168.2	176.4	0	0	0	0	113.8	L709 A715 R716	L709-V713 VanDerWaalsContact O-CB 3.31Å; L709-V713 WeakPolarHBondContact O-CB 3.42Å; L709-V713 VanDerWaalsContact O-CG2 3.22Å; L709-V713 WeakPolarHBondContact O-CG2 3.41Å; L709-V713 PolarHBondContact O-N 3.49Å; V713-A715 PolarHBondContact O-N 3.24Å; V713-R716 PolarHBondContact O-N 3.44Å
714	S	34.8	Very low	46.3	Very low	90 Å²	90	96.6 Å²	96.6	63%	0.629	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.5	-7.1	178.5	16.9	0	0	0	0	114.2	K710	K710-S714 PolarHBondContact O-OG 3.18Å
715	A	33.6	Very low	45.6	Very low	88 Å²	88	97.3 Å²	97.3	73%	0.727	53%	0.527	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.7	-15.6	176.3	0	0	0	0	0	115.4	V713	V713-A715 PolarHBondContact O-N 3.24Å
716	R	33.2	Very low	45.6	Very low	210 Å²	210	95.9 Å²	95.9	79%	0.792	52%	0.515	S	S	*	.	S	Bend	trans	-145.5	112.8	-174.2	-68	-174.3	-178.7	174.4	2.1	112.4	V713	V713-R716 PolarHBondContact O-N 3.44Å
717	F	33.3	Very low	45.7	Very low	208 Å²	208	90.3 Å²	90.3	91%	0.912	49%	0.485	S	S	*	.			trans	72.9	98.2	174.2	-72.3	-95.4	0	0	0	116.3
718	D	30.8	Very low	45.9	Very low	133 Å²	133	89.2 Å²	89.2	71%	0.711	48%	0.479	S	S	*	.			trans	-117.5	133.4	148.9	-155.3	-3.3	0	0	0	110.3	S722	D718-S722 PolarHBondContact OD1-OG 2.65Å
719	G	31.2	Very low	45.9	Very low	39 Å²	39	88.5 Å²	88.5	40%	0.402	48%	0.476	S	S	.	.			trans	-65.8	136	-167.5	0	0	0	0	0	113	R721 S722	G719-R721 PolarHBondContact O-N 3.04Å; G719-S722 WeakPolarHBondContact CA-OG 3.36Å; G719-S722 PolarHBondContact N-OG 3.5Å; G719-S722 PolarHBondContact O-N 3.35Å; G719-S722 VanDerWaalsContact O-N 3.12Å; G719-S722 PolarHBondContact O-OG 3.24Å
720	G	38.7	Very low	46	Very low	83 Å²	83	87.1 Å²	87.1	86%	0.856	47%	0.473	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	18.3	-177.9	0	0	0	0	0	117.1
721	R	36.7	Very low	46	Very low	198 Å²	198	82.7 Å²	82.7	75%	0.747	46%	0.459	S	S	*	.	T	Hydrogen-bonded Turn	trans	-130.3	-27.3	167	-83.5	-173.4	176	-176	-3.1	112.5	G719 A723	G719-R721 PolarHBondContact O-N 3.04Å; R721-A723 VanDerWaalsContact C-N 3.32Å; R721-A723 PolarHBondContact O-N 3.43Å
722	S	37	Very low	46.4	Very low	54 Å²	54	81.7 Å²	81.7	38%	0.378	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-15.4	-179.8	40.8	0	0	0	0	114.2	D718 G719 K725	D718-S722 PolarHBondContact OD1-OG 2.65Å; G719-S722 WeakPolarHBondContact CA-OG 3.36Å; G719-S722 PolarHBondContact N-OG 3.5Å; G719-S722 PolarHBondContact O-N 3.35Å; G719-S722 VanDerWaalsContact O-N 3.12Å; G719-S722 PolarHBondContact O-OG 3.24Å; S722-K725 VanDerWaalsContact O-CE 3.29Å; S722-K725 WeakPolarHBondContact O-CE 3.49Å; S722-K725 WeakPolarHBondContact O-CG 3.13Å
723	A	43.8	Very low	47.3	Very low	48 Å²	48	79.1 Å²	79.1	40%	0.397	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.5	-3.9	-175.6	0	0	0	0	0	115.8	R721	R721-A723 VanDerWaalsContact C-N 3.32Å; R721-A723 PolarHBondContact O-N 3.43Å
724	L	50.5	Low	48.4	Very low	26 Å²	26	81.9 Å²	81.9	14%	0.136	45%	0.452	C	S	.	.			trans	-110.6	62.6	177.1	-71.1	166.6	0	0	0	109.5	F577 R601	F577-L724 HydrophobicContact CB-CB 4.02Å; F577-L724 WeakPolarHBondContact CB-O 3.47Å; F577-L724 HydrophobicContact CD2-CD1 3.92Å; F577-L724 HydrophobicContact CE2-CD1 4.16Å; F577-L724 HydrophobicContact CG-CB 4.32Å; F577-L724 HydrophobicContact CG-CD1 4.24Å; R601-L724 HydrophobicContact CG-CD2 4.2Å
725	K	52.8	Low	49.8	Very low	151 Å²	151	81.2 Å²	81.2	66%	0.657	44%	0.439	S	S	*	.			trans	-79.5	-37.5	-176.6	-73.8	-179.5	178.7	178.6	0	112.2	S722	S722-K725 VanDerWaalsContact O-CE 3.29Å; S722-K725 WeakPolarHBondContact O-CE 3.49Å; S722-K725 WeakPolarHBondContact O-CG 3.13Å
726	N	59	Low	51.1	Low	75 Å²	75	77.7 Å²	77.7	40%	0.401	41%	0.408	S	S	.	.			trans	-133.1	115	-168.8	-67.3	2.4	0	0	0	111	F574	F574-N726 HydrophobicContact CB-CB 3.79Å; F574-N726 HydrophobicContact CD1-CB 3.74Å; F574-N726 HydrophobicContact CG-CB 3.8Å
727	I	63	Low	52.4	Low	0 Å²	0	70 Å²	70	0%	0	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.6	125.9	175	-58.8	169	0	0	0	108.9	F574 V575 F577 F580 A600 F603 C729	F574-I727 CarbonylContact C-O 3.59Å; F574-I727 VanDerWaalsContact CA-O 3.28Å; F574-I727 WeakPolarHBondContact CA-O 3.32Å; V575-I727 PolarHBondContact N-O 2.96Å; V575-I727 PolarHBondContact O-N 3.37Å; F577-I727 HydrophobicContact CB-CD1 4.19Å; F577-I727 HydrophobicContact CD2-CD1 4.07Å; F580-I727 HydrophobicContact CB-CD1 3.76Å; F580-I727 HydrophobicContact CD1-CD1 3.73Å; F580-I727 HydrophobicContact CG-CD1 3.77Å; A600-I727 HydrophobicContact CB-CD1 3.76Å; F603-I727 HydrophobicContact CB-CG2 3.99Å; I727-C729 PolarHBondContact O-N 2.95Å
728	N	65.8	Low	53.3	Low	19 Å²	19	64.3 Å²	64.3	10%	0.102	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	89.5	177.7	-170.1	-20.9	0	0	0	110.4	F574 F603 E605 S730 S731	F574-N728 HydrophobicContact CD1-CB 4.15Å; F574-N728 HydrophobicContact CE1-CB 3.89Å; F603-N728 PolarHBondContact O-N 2.7Å; E605-N728 PolarHBondContact OE2-ND2 3.49Å; N728-S730 PolarHBondContact O-N 3.45Å; N728-S730 PolarHBondContact OD1-N 2.85Å; N728-S730 PolarHBondContact OD1-OG 2.9Å; N728-S731 PolarHBondContact ND2-OG 3.24Å; N728-S731 PolarHBondContact OD1-N 3.46Å
729	C	60.1	Low	53.7	Low	5 Å²	5	66.4 Å²	66.4	3%	0.034	37%	0.369	C	S	.	.	H	α-helix	trans	-71.1	-20.6	-179.2	-69.6	0	0	0	0	112.8	L564 G573 V575 I727 L732 V733	L564-C729 HydrophobicContact CD1-CB 4.42Å; L564-C729 HydrophobicContact CD2-CB 3.55Å; G573-C729 PolarHBondContact O-N 3.12Å; V575-C729 HydrophobicContact CG2-CB 4.2Å; V575-C729 VanDerWaalsContact CG2-SG 3.56Å; I727-C729 PolarHBondContact O-N 2.95Å; C729-L732 PolarHBondContact O-N 3.1Å; C729-V733 WeakPolarHBondContact O-CG2 3.26Å; C729-V733 PolarHBondContact O-N 2.93Å
730	S	60.5	Low	53.8	Low	56 Å²	56	69 Å²	69	39%	0.392	38%	0.381	S	S	.	.	H	α-helix	trans	-67.8	-38.7	178.7	77.6	0	0	0	0	112.4	N728 K734	N728-S730 PolarHBondContact O-N 3.45Å; N728-S730 PolarHBondContact OD1-N 2.85Å; N728-S730 PolarHBondContact OD1-OG 2.9Å; S730-K734 WeakPolarHBondContact O-CG 3.41Å; S730-K734 PolarHBondContact O-N 3.47Å; S730-K734 VanDerWaalsContact O-N 3.12Å
731	S	60.3	Low	53.6	Low	43 Å²	43	70.5 Å²	70.5	30%	0.301	38%	0.375	S	S	.	.	H	α-helix	trans	-69.1	-33.8	174.3	-64.7	0	0	0	0	112.3	N728 K734 E735	N728-S731 PolarHBondContact ND2-OG 3.24Å; N728-S731 PolarHBondContact OD1-N 3.46Å; S731-K734 PolarHBondContact O-N 2.94Å; S731-E735 PolarHBondContact O-N 2.97Å
732	L	64.8	Low	53.3	Low	14 Å²	14	68.9 Å²	68.9	7%	0.073	38%	0.382	C	S	.	.	H	α-helix	trans	-67.5	-43.4	176.1	179.9	148.2	0	0	0	111.9	F580 F603 C729 E735 I736	F580-L732 HydrophobicContact CE2-CD1 3.74Å; F580-L732 HydrophobicContact CZ-CD1 3.65Å; F603-L732 HydrophobicContact CD1-CB 4.21Å; F603-L732 HydrophobicContact CD2-CB 4.02Å; F603-L732 HydrophobicContact CD2-CD1 3.67Å; F603-L732 HydrophobicContact CD2-CG 4.23Å; F603-L732 HydrophobicContact CE1-CB 4.14Å; F603-L732 HydrophobicContact CE2-CB 3.96Å; F603-L732 HydrophobicContact CE2-CD1 3.7Å; F603-L732 HydrophobicContact CE2-CG 3.96Å; F603-L732 HydrophobicContact CG-CB 4.14Å; F603-L732 HydrophobicContact CG-CD1 4.48Å; F603-L732 HydrophobicContact CZ-CB 4Å; F603-L732 HydrophobicContact CZ-CG 4.3Å; C729-L732 PolarHBondContact O-N 3.1Å; L732-E735 PolarHBondContact O-N 2.93Å; L732-I736 HydrophobicContact CD2-CD1 3.48Å; L732-I736 VanDerWaalsContact CD2-CD1 3.48Å; L732-I736 HydrophobicContact CG-CD1 3.75Å; L732-I736 WeakPolarHBondContact O-CB 3.44Å; L732-I736 WeakPolarHBondContact O-CG1 3.4Å; L732-I736 PolarHBondContact O-N 3.19Å; L732-I736 VanDerWaalsContact O-N 3.07Å
733	V	63.5	Low	53.1	Low	37 Å²	37	75.8 Å²	75.8	22%	0.224	41%	0.405	C	S	.	.	H	α-helix	trans	-65.9	-39.2	176.4	173.4	0	0	0	0	111.1	L564 C729 F737	L564-V733 HydrophobicContact CD1-CG2 3.32Å; C729-V733 WeakPolarHBondContact O-CG2 3.26Å; C729-V733 PolarHBondContact O-N 2.93Å; V733-F737 HydrophobicContact CB-CD2 4.43Å; V733-F737 HydrophobicContact CG1-CD2 3.89Å; V733-F737 WeakPolarHBondContact O-CB 3.41Å; V733-F737 WeakPolarHBondContact O-CD2 3.45Å; V733-F737 PolarHBondContact O-N 2.92Å
734	K	63.6	Low	52.6	Low	143 Å²	143	77.1 Å²	77.1	62%	0.622	42%	0.423	S	S	*	.	H	α-helix	trans	-60.9	-52.3	173.9	-75	178.1	-178.5	179.2	0	111.4	S730 S731 I736 S738	S730-K734 WeakPolarHBondContact O-CG 3.41Å; S730-K734 PolarHBondContact O-N 3.47Å; S730-K734 VanDerWaalsContact O-N 3.12Å; S731-K734 PolarHBondContact O-N 2.94Å; K734-I736 VanDerWaalsContact C-N 3.3Å; K734-I736 PolarHBondContact O-N 2.96Å; K734-S738 WeakPolarHBondContact O-CB 3.47Å; K734-S738 PolarHBondContact O-N 3.44Å; K734-S738 VanDerWaalsContact O-N 3.14Å; K734-S738 PolarHBondContact O-OG 3.3Å
735	E	63.7	Low	51.8	Low	75 Å²	75	85.2 Å²	85.2	35%	0.35	46%	0.461	S	S	.	.	H	α-helix	trans	-65.2	-28.8	-178.9	-84.4	-167	159.4	0	0	113.9	F546 R602 F603 S731 L732	F546-E735 HydrophobicContact CZ-CB 4.42Å; R602-E735 IonicContact CZ-OE1 3.59Å; R602-E735 IonicContact CZ-OE2 3.91Å; R602-E735 IonicContact NE-OE1 2.7Å; R602-E735 IonicContact NE-OE2 3.8Å; R602-E735 PolarHBondContact NE-OE2 2.92Å; R602-E735 IonicContact NH2-OE1 2.69Å; R602-E735 PolarHBondContact NH2-OE1 3.42Å; R602-E735 IonicContact NH2-OE2 2.77Å; R602-E735 PolarHBondContact NH2-OE2 2.93Å; F603-E735 WeakPolarHBondContact CE1-OE2 3.33Å; F603-E735 WeakPolarHBondContact CZ-OE2 3.44Å; S731-E735 PolarHBondContact O-N 2.97Å; L732-E735 PolarHBondContact O-N 2.93Å
736	I	61.5	Low	50.9	Low	15 Å²	15	86.5 Å²	86.5	8%	0.077	50%	0.499	C	S	.	.	H	α-helix	trans	-84.1	-40.2	-178.2	-65.1	171.9	0	0	0	112.1	F546 L549 L732 K734	F546-I736 HydrophobicContact CD1-CD1 4.34Å; F546-I736 HydrophobicContact CD1-CG1 3.76Å; F546-I736 HydrophobicContact CE1-CD1 4.07Å; F546-I736 HydrophobicContact CE1-CG1 3.55Å; L549-I736 HydrophobicContact CD1-CD1 4.01Å; L732-I736 HydrophobicContact CD2-CD1 3.48Å; L732-I736 VanDerWaalsContact CD2-CD1 3.48Å; L732-I736 HydrophobicContact CG-CD1 3.75Å; L732-I736 WeakPolarHBondContact O-CB 3.44Å; L732-I736 WeakPolarHBondContact O-CG1 3.4Å; L732-I736 PolarHBondContact O-N 3.19Å; L732-I736 VanDerWaalsContact O-N 3.07Å; K734-I736 VanDerWaalsContact C-N 3.3Å; K734-I736 PolarHBondContact O-N 2.96Å
737	F	60.7	Low	50.5	Low	49 Å²	49	87.1 Å²	87.1	22%	0.215	50%	0.504	C	S	.	.	H	α-helix	trans	-116.4	1.1	-165.6	-58.4	-69.4	0	0	0	115.9	Q557 V733	Q557-F737 HydrophobicContact CB-CE1 3.9Å; Q557-F737 HydrophobicContact CB-CZ 4.14Å; Q557-F737 VanDerWaalsContact CD-CE1 3.43Å; Q557-F737 HydrophobicContact CG-CE1 3.58Å; Q557-F737 HydrophobicContact CG-CZ 4.04Å; V733-F737 HydrophobicContact CB-CD2 4.43Å; V733-F737 HydrophobicContact CG1-CD2 3.89Å; V733-F737 WeakPolarHBondContact O-CB 3.41Å; V733-F737 WeakPolarHBondContact O-CD2 3.45Å; V733-F737 PolarHBondContact O-N 2.92Å
738	S	51	Low	49.9	Very low	87 Å²	87	91.7 Å²	91.7	61%	0.608	53%	0.531	S	S	*	.			trans	-91.8	2	-178.9	65.1	0	0	0	0	116	K734 S740	K734-S738 WeakPolarHBondContact O-CB 3.47Å; K734-S738 PolarHBondContact O-N 3.44Å; K734-S738 VanDerWaalsContact O-N 3.14Å; K734-S738 PolarHBondContact O-OG 3.3Å; S738-S740 PolarHBondContact O-N 2.97Å
739	F	40.3	Very low	49	Very low	178 Å²	178	95.7 Å²	95.7	78%	0.781	56%	0.555	S	S	*	*			trans	-95.5	91.3	171.4	-105.8	-88.6	0	0	0	110.5
740	S	33.2	Very low	48.4	Very low	92 Å²	92	101.1 Å²	101.1	64%	0.643	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-68.8	136.7	159.3	-176.1	0	0	0	0	108.6	S738 N742	S738-S740 PolarHBondContact O-N 2.97Å; S740-N742 PolarHBondContact O-N 3.48Å
741	P	34.1	Very low	47.6	Very low	115 Å²	115	103.9 Å²	103.9	75%	0.747	60%	0.597	S	S	*	*	P	Polyproline II helix	trans	-66	120.5	170.6	27.8	-29.9	0	0	0	108.1	K743	P741-K743 PolarHBondContact O-N 3.26Å; P741-K743 VanDerWaalsContact O-N 3.12Å
742	N	30.3	Very low	46.8	Very low	164 Å²	164	107.9 Å²	107.9	88%	0.877	62%	0.617	S	S	*	*	P	Polyproline II helix	trans	-57.4	120.7	172.9	-89.8	-8.4	0	0	0	109.3	S740	S740-N742 PolarHBondContact O-N 3.48Å
743	K	33.4	Very low	45.5	Very low	200 Å²	200	114.6 Å²	114.6	87%	0.87	66%	0.656	S	S	*	*	P	Polyproline II helix	trans	-54.1	145.4	158.3	-78.2	175.4	171.6	177.3	0	108.9	P741	P741-K743 PolarHBondContact O-N 3.26Å; P741-K743 VanDerWaalsContact O-N 3.12Å
744	G	33	Very low	44.1	Very low	76 Å²	76	120.6 Å²	120.6	78%	0.784	69%	0.689	S	S	*	*	P	Polyproline II helix	trans	-57.3	153.9	-170.1	0	0	0	0	0	116
745	E	33.9	Very low	42.5	Very low	196 Å²	196	118.8 Å²	118.8	92%	0.916	70%	0.695	S	S	*	*			trans	-129.1	145.3	150.1	-73.1	-175.4	159.8	0	0	106.9
746	A	34.6	Very low	40.5	Very low	178 Å²	178	122.7 Å²	122.7	100%	1.471	73%	0.726	S	S	*	*			trans	-62.8	0	-166.2	0	0	0	0	0	115.2

Retrieved 746 of 746 residues in 1139.1 ms (Link to these results)

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