A0A3Q0KSQ7_SCHMA Loading...

EF-hand domain-containing family member C2 AlphaSync

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 A0A3Q0KSQ7, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 768 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters PDB PAE Table

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	46	Very low	78.8	Confident	242 Å²	242	122.8 Å²	122.8	100%	1.192	69%	0.685	S	S	*	*				0	117.3	0	-72	-179.6	179.6	0	0	107.6	L3	M1-L3 PolarHBondContact O-N 3.41Å
2	A	73	Confident	79.2	Confident	103 Å²	103	121.3 Å²	121.3	85%	0.851	67%	0.674	S	S	*	*			trans	-73.2	123.4	175.1	0	0	0	0	0	108.4
3	L	80.7	Confident	79.4	Confident	77 Å²	77	127.5 Å²	127.5	40%	0.403	69%	0.69	S	S	.	*			trans	-67.3	132.9	174.3	-65.4	160.4	0	0	0	108.1	M1 F5 Y9 F11	M1-L3 PolarHBondContact O-N 3.41Å; L3-F5 PolarHBondContact O-N 3.12Å; L3-Y9 HydrophobicContact CB-CD1 4.26Å; L3-Y9 HydrophobicContact CD2-CD1 3.66Å; L3-Y9 HydrophobicContact CD2-CE1 4.21Å; L3-Y9 HydrophobicContact CG-CD1 4.46Å; L3-F11 HydrophobicContact CD1-CD2 4.15Å; L3-F11 HydrophobicContact CD1-CE2 3.58Å
4	P	80.1	Confident	79.8	Confident	90 Å²	90	124.1 Å²	124.1	58%	0.584	67%	0.671	S	S	*	*			trans	-73.5	32.3	-170.2	26.9	-34.3	0	0	0	115.9	L6	P4-L6 HydrophobicContact CB-CG 4.48Å; P4-L6 HydrophobicContact CG-CD1 3.92Å; P4-L6 HydrophobicContact CG-CG 4.06Å; P4-L6 PolarHBondContact O-N 2.91Å
5	F	82.2	Confident	80	Confident	169 Å²	169	125.2 Å²	125.2	74%	0.741	67%	0.674	S	S	*	*			trans	48.6	28.4	179.6	-67.9	-75.8	0	0	0	114.7	L3 N10	L3-F5 PolarHBondContact O-N 3.12Å; F5-N10 WeakPolarHBondContact CD1-OD1 3.21Å
6	L	85.5	Confident	80.4	Confident	88 Å²	88	122.1 Å²	122.1	46%	0.461	68%	0.681	S	S	.	*			trans	-66.3	152.5	173.2	-68.2	172.2	0	0	0	110.2	P4 G8 Y9	P4-L6 HydrophobicContact CB-CG 4.48Å; P4-L6 HydrophobicContact CG-CD1 3.92Å; P4-L6 HydrophobicContact CG-CG 4.06Å; P4-L6 PolarHBondContact O-N 2.91Å; L6-G8 PolarHBondContact O-N 2.95Å; L6-G8 VanDerWaalsContact O-N 3.12Å; L6-Y9 HydrophobicContact CB-CD2 3.92Å; L6-Y9 HydrophobicContact CB-CG 4.13Å; L6-Y9 WeakPolarHBondContact O-CB 3.42Å; L6-Y9 PolarHBondContact O-N 2.83Å
7	P	84.4	Confident	80.7	Confident	128 Å²	128	117.2 Å²	117.2	83%	0.831	65%	0.651	S	S	*	*	T	Hydrogen-bonded Turn	trans	-50.6	122	172.9	-26.6	35	0	0	0	111.1
8	G	83.3	Confident	81.2	Confident	74 Å²	74	119.2 Å²	119.2	76%	0.763	66%	0.66	S	S	*	*	T	Hydrogen-bonded Turn	trans	92.6	-11	-176.7	0	0	0	0	0	116.3	L6 N10	L6-G8 PolarHBondContact O-N 2.95Å; L6-G8 VanDerWaalsContact O-N 3.12Å; G8-N10 VanDerWaalsContact C-N 3.31Å; G8-N10 PolarHBondContact O-N 3.46Å
9	Y	84.4	Confident	81.6	Confident	119 Å²	119	119.9 Å²	119.9	47%	0.467	66%	0.656	S	S	.	*			trans	-93	20.3	-177.6	-78.1	-121.2	0	0	0	113.4	L3 L6	L3-Y9 HydrophobicContact CB-CD1 4.26Å; L3-Y9 HydrophobicContact CD2-CD1 3.66Å; L3-Y9 HydrophobicContact CD2-CE1 4.21Å; L3-Y9 HydrophobicContact CG-CD1 4.46Å; L6-Y9 HydrophobicContact CB-CD2 3.92Å; L6-Y9 HydrophobicContact CB-CG 4.13Å; L6-Y9 WeakPolarHBondContact O-CB 3.42Å; L6-Y9 PolarHBondContact O-N 2.83Å
10	N	82.9	Confident	81.9	Confident	95 Å²	95	119.3 Å²	119.3	51%	0.508	65%	0.646	S	S	.	*			trans	-114.3	128.3	-178.5	-66.1	-29.6	0	0	0	110.6	F5 G8	F5-N10 WeakPolarHBondContact CD1-OD1 3.21Å; G8-N10 VanDerWaalsContact C-N 3.31Å; G8-N10 PolarHBondContact O-N 3.46Å
11	F	84.9	Confident	82.3	Confident	166 Å²	166	120.2 Å²	120.2	73%	0.728	65%	0.646	S	S	*	*			trans	-104.3	147.6	176	-60.4	-74.9	0	0	0	111.7	L3 K13	L3-F11 HydrophobicContact CD1-CD2 4.15Å; L3-F11 HydrophobicContact CD1-CE2 3.58Å; F11-K13 PolarHBondContact O-N 3.2Å
12	N	83.6	Confident	84.4	Confident	105 Å²	105	116.3 Å²	116.3	56%	0.561	62%	0.622	S	S	*	*			trans	-71.5	110.2	174.7	-174.7	-0.1	0	0	0	110.4	N14 I15	N12-N14 PolarHBondContact O-N 3.04Å; N12-N14 WeakPolarHBondContact OD1-CB 3.48Å; N12-N14 PolarHBondContact OD1-N 3.25Å; N12-I15 HydrophobicContact CB-CD1 4.15Å; N12-I15 HydrophobicContact CB-CG1 4.16Å; N12-I15 WeakPolarHBondContact O-CG1 3.35Å
13	K	81.8	Confident	85.1	Confident	201 Å²	201	112.7 Å²	112.7	87%	0.874	59%	0.591	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.3	-11.3	179.6	-65.2	-177.6	179	179.9	0	114.1	F11	F11-K13 PolarHBondContact O-N 3.2Å
14	N	84	Confident	85.4	Confident	80 Å²	80	116.3 Å²	116.3	43%	0.428	61%	0.605	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.6	5.6	-171.7	-65.4	-19.4	0	0	0	114	N12 G16 K17 F20	N12-N14 PolarHBondContact O-N 3.04Å; N12-N14 WeakPolarHBondContact OD1-CB 3.48Å; N12-N14 PolarHBondContact OD1-N 3.25Å; N14-G16 PolarHBondContact O-N 3.36Å; N14-K17 PolarHBondContact O-N 3.25Å; N14-F20 HydrophobicContact CB-CE1 3.99Å
15	I	83.7	Confident	85.7	Confident	141 Å²	141	114.4 Å²	114.4	72%	0.723	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.8	118.1	178.6	-62.8	169.1	0	0	0	108.8	N12	N12-I15 HydrophobicContact CB-CD1 4.15Å; N12-I15 HydrophobicContact CB-CG1 4.16Å; N12-I15 WeakPolarHBondContact O-CG1 3.35Å
16	G	85.9	Confident	85.9	Confident	75 Å²	75	112.7 Å²	112.7	77%	0.773	59%	0.585	S	S	*	*	T	Hydrogen-bonded Turn	trans	94.8	3.6	179.4	0	0	0	0	0	116.1	N14	N14-G16 PolarHBondContact O-N 3.36Å
17	K	85.5	Confident	85.8	Confident	40 Å²	40	111.5 Å²	111.5	17%	0.174	58%	0.582	C	S	.	*			trans	-85.1	136	175.2	-172.9	165	-174	162.3	0	110.2	N14 K19 F20 I43 E46	N14-K17 PolarHBondContact O-N 3.25Å; K17-K19 VanDerWaalsContact CE-O 3.25Å; K17-K19 WeakPolarHBondContact CE-O 3.37Å; K17-F20 HydrophobicContact CB-CE1 3.78Å; K17-F20 HydrophobicContact CB-CE2 4.46Å; K17-F20 HydrophobicContact CB-CZ 3.65Å; K17-F20 HydrophobicContact CD-CD1 4.39Å; K17-F20 HydrophobicContact CD-CE1 4.04Å; K17-F20 HydrophobicContact CG-CD1 4.4Å; K17-F20 HydrophobicContact CG-CE1 3.91Å; K17-F20 HydrophobicContact CG-CZ 4.11Å; K17-F20 WeakPolarHBondContact O-CE2 3Å; K17-F20 WeakPolarHBondContact O-CZ 2.87Å; K17-I43 WeakPolarHBondContact CE-O 3.4Å; K17-I43 PolarHBondContact NZ-O 3.33Å; K17-E46 WeakPolarHBondContact CE-OE1 3.25Å; K17-E46 IonicContact NZ-OE1 3.25Å; K17-E46 PolarHBondContact NZ-OE1 3.23Å; K17-E46 IonicContact NZ-OE2 3.84Å; K17-E46 PolarHBondContact NZ-OE2 2.76Å
18	D	89	Confident	85.9	Confident	153 Å²	153	111.3 Å²	111.3	82%	0.818	57%	0.573	S	S	*	*			trans	-97.8	-40.4	178.3	-68.2	-24.9	0	0	0	112.7
19	K	88.8	Confident	85.7	Confident	132 Å²	132	115.7 Å²	115.7	57%	0.574	57%	0.571	S	S	*	*			trans	-94.6	105.3	-176.5	-68.1	-178.8	-179.5	175.9	0	109.9	K17 G44	K17-K19 VanDerWaalsContact CE-O 3.25Å; K17-K19 WeakPolarHBondContact CE-O 3.37Å; K19-G44 WeakPolarHBondContact O-CA 3.38Å
20	F	88.8	Confident	85.6	Confident	108 Å²	108	113.2 Å²	113.2	47%	0.474	58%	0.581	S	S	.	*			trans	-103	15.5	174.7	-63.3	-76.8	0	0	0	113.5	N14 K17 K22 I43	N14-F20 HydrophobicContact CB-CE1 3.99Å; K17-F20 HydrophobicContact CB-CE1 3.78Å; K17-F20 HydrophobicContact CB-CE2 4.46Å; K17-F20 HydrophobicContact CB-CZ 3.65Å; K17-F20 HydrophobicContact CD-CD1 4.39Å; K17-F20 HydrophobicContact CD-CE1 4.04Å; K17-F20 HydrophobicContact CG-CD1 4.4Å; K17-F20 HydrophobicContact CG-CE1 3.91Å; K17-F20 HydrophobicContact CG-CZ 4.11Å; K17-F20 WeakPolarHBondContact O-CE2 3Å; K17-F20 WeakPolarHBondContact O-CZ 2.87Å; F20-K22 PolarHBondContact O-N 3.28Å; F20-I43 HydrophobicContact CB-CG2 4.4Å; F20-I43 HydrophobicContact CD1-CG2 4.19Å
21	H	90.9	Very high	85.7	Confident	138 Å²	138	116.6 Å²	116.6	64%	0.639	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-56.3	129.3	179.4	-58.6	-61.3	0	0	0	110.7	I43 G44	H21-I43 WeakPolarHBondContact O-CA 3.42Å; H21-G44 PolarHBondContact O-N 3.01Å
22	K	88.4	Confident	85.7	Confident	160 Å²	160	116 Å²	116	70%	0.696	60%	0.599	S	S	*	*	B	Isolated β-bridge	trans	-103.3	123.3	177.6	-177.8	-176.5	178.6	-177.3	0	109	F20 I43	F20-K22 PolarHBondContact O-N 3.28Å; K22-I43 HydrophobicContact CB-CD1 3.99Å; K22-I43 HydrophobicContact CG-CD1 4.13Å
23	S	88.3	Confident	85.9	Confident	27 Å²	27	115.4 Å²	115.4	19%	0.189	61%	0.608	C	S	.	*	P	Polyproline II helix	trans	-66.6	144.1	172.5	-63.5	0	0	0	0	111.6	Y25 P41	S23-Y25 VanDerWaalsContact O-CD2 3.23Å; S23-Y25 WeakPolarHBondContact O-CD2 3.46Å; S23-Y25 PolarHBondContact O-N 2.79Å; S23-Y25 VanDerWaalsContact O-N 3.16Å; S23-P41 WeakPolarHBondContact CB-O 3.19Å; S23-P41 PolarHBondContact OG-O 2.74Å
24	H	87.8	Confident	85.9	Confident	153 Å²	153	112.5 Å²	112.5	71%	0.708	59%	0.593	S	S	*	*			trans	-79.3	95.8	175.7	-66.3	-170.4	0	0	0	109.5	K40	H24-K40 PolarHBondContact O-NZ 3.3Å
25	Y	86.4	Confident	85.8	Confident	50 Å²	50	114.4 Å²	114.4	20%	0.196	60%	0.601	C	S	.	*			trans	-84.9	-24.3	178.8	-73.9	-85.8	0	0	0	114	S23 M35 H36 G37 K40 P41 G42 L48	S23-Y25 VanDerWaalsContact O-CD2 3.23Å; S23-Y25 WeakPolarHBondContact O-CD2 3.46Å; S23-Y25 PolarHBondContact O-N 2.79Å; S23-Y25 VanDerWaalsContact O-N 3.16Å; Y25-M35 CarbonylContact O-C 3.53Å; Y25-M35 WeakPolarHBondContact O-CA 3.01Å; Y25-H36 CarbonylContact O-C 3.52Å; Y25-H36 PolarHBondContact O-N 3.16Å; Y25-G37 WeakPolarHBondContact CD1-O 3.38Å; Y25-G37 WeakPolarHBondContact CE1-O 3.06Å; Y25-K40 HydrophobicContact CE1-CB 4.08Å; Y25-K40 PolarHBondContact OH-O 2.87Å; Y25-P41 PolarHBondContact OH-O 2.85Å; Y25-G42 PolarHBondContact OH-N 2.97Å; Y25-L48 HydrophobicContact CE1-CD1 3.98Å; Y25-L48 WeakPolarHBondContact OH-CD1 3.23Å
26	L	85.8	Confident	85.2	Confident	134 Å²	134	112.6 Å²	112.6	70%	0.702	59%	0.589	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-110.7	127.6	-177.9	-59.8	174.2	0	0	0	108.5	M35	L26-M35 HydrophobicContact CD2-CB 4.3Å; L26-M35 HydrophobicContact CD2-CG 4.35Å
27	T	83.7	Confident	84.6	Confident	63 Å²	63	109.2 Å²	109.2	39%	0.387	55%	0.554	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-140.3	152.9	178.4	-173.2	0	0	0	0	110	Y34 H36	T27-Y34 PolarHBondContact N-O 2.73Å; T27-Y34 PolarHBondContact O-N 3.45Å; T27-Y34 VanDerWaalsContact O-O 3.09Å; T27-H36 HydrophobicContact CG2-CB 3.27Å
28	L	86.1	Confident	84.1	Confident	123 Å²	123	111.5 Å²	111.5	64%	0.644	57%	0.568	S	S	*	*	E	Extended strand (participates in β ladder)	trans	-87	127.5	166.2	-71.3	161.9	0	0	0	108.2	E32 A33	L28-E32 WeakPolarHBondContact CA-O 3.25Å; L28-A33 HydrophobicContact CD2-CB 4.3Å
29	K	78.7	Confident	83.6	Confident	167 Å²	167	107.3 Å²	107.3	73%	0.726	55%	0.546	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-116.8	104.9	170.2	-171.6	178.5	178.8	-177.4	0	107.3	N31 E32	K29-N31 PolarHBondContact O-N 2.92Å; K29-E32 PolarHBondContact N-O 3.37Å; K29-E32 PolarHBondContact O-N 2.77Å
30	G	82.1	Confident	83.4	Confident	66 Å²	66	103.6 Å²	103.6	68%	0.68	53%	0.529	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.8	-126.9	-160.8	0	0	0	0	0	109.6
31	N	85.2	Confident	83.3	Confident	167 Å²	167	100.5 Å²	100.5	89%	0.893	52%	0.52	S	S	*	.	T	Hydrogen-bonded Turn	trans	-102.7	4.3	177.8	-70	-10.6	0	0	0	113.7	K29	K29-N31 PolarHBondContact O-N 2.92Å
32	E	85.4	Confident	83.1	Confident	152 Å²	152	94.2 Å²	94.2	71%	0.71	49%	0.493	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.6	134.5	-178.9	-66.2	-178.5	170.5	0	0	111.1	L28 K29 Y34	L28-E32 WeakPolarHBondContact CA-O 3.25Å; K29-E32 PolarHBondContact N-O 3.37Å; K29-E32 PolarHBondContact O-N 2.77Å; E32-Y34 PolarHBondContact O-N 2.83Å
33	A	86.8	Confident	83	Confident	93 Å²	93	89.9 Å²	89.9	77%	0.769	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.1	119.1	172.6	0	0	0	0	0	109.4	L28	L28-A33 HydrophobicContact CD2-CB 4.3Å
34	Y	81.5	Confident	82.9	Confident	141 Å²	141	89.6 Å²	89.6	55%	0.553	48%	0.477	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-121.3	139.2	-177.6	-165.9	-93.3	0	0	0	110.2	T27 E32 H36	T27-Y34 PolarHBondContact N-O 2.73Å; T27-Y34 PolarHBondContact O-N 3.45Å; T27-Y34 VanDerWaalsContact O-O 3.09Å; E32-Y34 PolarHBondContact O-N 2.83Å; Y34-H36 HydrophobicContact CD1-CB 3.97Å; Y34-H36 PolarHBondContact O-N 3.16Å
35	M	82	Confident	82.9	Confident	120 Å²	120	84.8 Å²	84.8	59%	0.591	47%	0.469	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.3	98.2	168.3	-170.9	-177.8	-70	0	0	108.1	Y25 L26	Y25-M35 CarbonylContact O-C 3.53Å; Y25-M35 WeakPolarHBondContact O-CA 3.01Å; L26-M35 HydrophobicContact CD2-CB 4.3Å; L26-M35 HydrophobicContact CD2-CG 4.35Å
36	H	71.3	Confident	82.9	Confident	103 Å²	103	87.9 Å²	87.9	48%	0.477	49%	0.486	S	S	.	.			trans	-108	100.3	180	-171	58.1	0	0	0	110.6	Y25 T27 Y34 K40	Y25-H36 CarbonylContact O-C 3.52Å; Y25-H36 PolarHBondContact O-N 3.16Å; T27-H36 HydrophobicContact CG2-CB 3.27Å; Y34-H36 HydrophobicContact CD1-CB 3.97Å; Y34-H36 PolarHBondContact O-N 3.16Å; H36-K40 PolarHBondContact O-NZ 2.6Å
37	G	73.7	Confident	82.9	Confident	3 Å²	3	88.5 Å²	88.5	3%	0.031	48%	0.483	C	S	.	.			trans	149.6	37.3	170.6	0	0	0	0	0	115.8	Y25 D39 K40	Y25-G37 WeakPolarHBondContact CD1-O 3.38Å; Y25-G37 WeakPolarHBondContact CE1-O 3.06Å; G37-D39 WeakPolarHBondContact CA-OD1 3.07Å; G37-D39 PolarHBondContact O-N 3.3Å; G37-K40 WeakPolarHBondContact O-CB 3.45Å; G37-K40 PolarHBondContact O-N 2.73Å
38	D	75.1	Confident	83	Confident	88 Å²	88	89.2 Å²	89.2	47%	0.471	48%	0.484	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	-19.9	172.7	-66.6	-4.1	0	0	0	112.7	Q51 R52	D38-Q51 WeakPolarHBondContact O-CG 3.44Å; D38-R52 PolarHBondContact O-N 2.99Å
39	D	79.1	Confident	82.8	Confident	65 Å²	65	89.8 Å²	89.8	35%	0.348	50%	0.495	S	S	.	.	T	Hydrogen-bonded Turn	trans	-99	-3.4	177.4	62.8	-20.1	0	0	0	114.2	G37 Q51 R52 N54	G37-D39 WeakPolarHBondContact CA-OD1 3.07Å; G37-D39 PolarHBondContact O-N 3.3Å; D39-Q51 VanDerWaalsContact C-NE2 3.27Å; D39-Q51 PolarHBondContact O-NE2 3.46Å; D39-R52 VanDerWaalsContact CA-O 3.3Å; D39-R52 WeakPolarHBondContact CA-O 3.4Å; D39-R52 WeakPolarHBondContact CB-O 3.5Å; D39-N54 PolarHBondContact OD2-ND2 2.86Å
40	K	84.3	Confident	82.9	Confident	54 Å²	54	85.6 Å²	85.6	24%	0.235	50%	0.499	C	S	.	.	S	Bend	trans	-82.4	142	179	-66.8	-178.9	-173.5	163.2	0	111.1	H24 Y25 H36 G37 Q51	H24-K40 PolarHBondContact O-NZ 3.3Å; Y25-K40 HydrophobicContact CE1-CB 4.08Å; Y25-K40 PolarHBondContact OH-O 2.87Å; H36-K40 PolarHBondContact O-NZ 2.6Å; G37-K40 WeakPolarHBondContact O-CB 3.45Å; G37-K40 PolarHBondContact O-N 2.73Å; K40-Q51 VanDerWaalsContact C-NE2 3.27Å; K40-Q51 PolarHBondContact O-NE2 3.47Å
41	P	87.2	Confident	82.8	Confident	43 Å²	43	84.1 Å²	84.1	28%	0.279	47%	0.474	S	S	.	.			trans	-68.9	156	175.7	30.7	-35	0	0	0	110.9	S23 Y25 G45 E46	S23-P41 WeakPolarHBondContact CB-O 3.19Å; S23-P41 PolarHBondContact OG-O 2.74Å; Y25-P41 PolarHBondContact OH-O 2.85Å; P41-G45 WeakPolarHBondContact CB-O 3.3Å; P41-E46 CarbonylContact C-O 3.56Å; P41-E46 WeakPolarHBondContact CB-O 3.47Å
42	G	85.8	Confident	82.3	Confident	6 Å²	6	84.8 Å²	84.8	6%	0.062	46%	0.464	C	S	.	.			trans	-71.5	-130.8	175.9	0	0	0	0	0	112.3	Y25 E46	Y25-G42 PolarHBondContact OH-N 2.97Å; G42-E46 PolarHBondContact N-O 3.26Å
43	I	87.6	Confident	81.8	Confident	70 Å²	70	83.2 Å²	83.2	36%	0.359	46%	0.459	S	S	.	.	B	Isolated β-bridge	trans	-81.5	124.9	-178.2	-57.4	-59.4	0	0	0	110.2	K17 F20 H21 K22 G45	K17-I43 WeakPolarHBondContact CE-O 3.4Å; K17-I43 PolarHBondContact NZ-O 3.33Å; F20-I43 HydrophobicContact CB-CG2 4.4Å; F20-I43 HydrophobicContact CD1-CG2 4.19Å; H21-I43 WeakPolarHBondContact O-CA 3.42Å; K22-I43 HydrophobicContact CB-CD1 3.99Å; K22-I43 HydrophobicContact CG-CD1 4.13Å; I43-G45 VanDerWaalsContact C-N 3.34Å; I43-G45 PolarHBondContact O-N 2.87Å
44	G	86.3	Confident	81.6	Confident	20 Å²	20	83.9 Å²	83.9	21%	0.206	45%	0.45	C	S	.	.	T	Hydrogen-bonded Turn	trans	78.1	11.1	172.1	0	0	0	0	0	116.1	K19 H21	K19-G44 WeakPolarHBondContact O-CA 3.38Å; H21-G44 PolarHBondContact O-N 3.01Å
45	G	86.5	Confident	81.6	Confident	52 Å²	52	78.1 Å²	78.1	54%	0.536	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	93.9	-2.8	-176.3	0	0	0	0	0	114.3	P41 I43	P41-G45 WeakPolarHBondContact CB-O 3.3Å; I43-G45 VanDerWaalsContact C-N 3.34Å; I43-G45 PolarHBondContact O-N 2.87Å
46	E	86.2	Confident	81.7	Confident	116 Å²	116	76.1 Å²	76.1	54%	0.542	43%	0.428	S	S	.	.	P	Polyproline II helix	trans	-66.7	139.6	174.8	-74	167.5	-159.2	0	0	111.3	K17 P41 G42	K17-E46 WeakPolarHBondContact CE-OE1 3.25Å; K17-E46 IonicContact NZ-OE1 3.25Å; K17-E46 PolarHBondContact NZ-OE1 3.23Å; K17-E46 IonicContact NZ-OE2 3.84Å; K17-E46 PolarHBondContact NZ-OE2 2.76Å; P41-E46 CarbonylContact C-O 3.56Å; P41-E46 WeakPolarHBondContact CB-O 3.47Å; G42-E46 PolarHBondContact N-O 3.26Å
47	K	86	Confident	82.5	Confident	147 Å²	147	75.4 Å²	75.4	64%	0.639	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-70.3	137.1	177.9	-65.8	-177.6	-177.6	178.3	0	110.7	Q51 I53	K47-Q51 VanDerWaalsContact CB-OE1 3.31Å; K47-I53 HydrophobicContact CD-CD1 4.39Å
48	L	85.3	Confident	83.3	Confident	78 Å²	78	75.6 Å²	75.6	41%	0.408	43%	0.432	S	S	.	.	P	Polyproline II helix	trans	-71.1	145.6	171.7	-70.5	175.8	0	0	0	110.2	Y25 G50 Q51	Y25-L48 HydrophobicContact CE1-CD1 3.98Å; Y25-L48 WeakPolarHBondContact OH-CD1 3.23Å; L48-G50 PolarHBondContact O-N 3Å; L48-G50 VanDerWaalsContact O-N 3.16Å; L48-Q51 HydrophobicContact CB-CB 4.18Å; L48-Q51 VanDerWaalsContact O-CB 3.25Å; L48-Q51 WeakPolarHBondContact O-CB 3.34Å; L48-Q51 PolarHBondContact O-N 3.45Å
49	P	82.2	Confident	83.9	Confident	135 Å²	135	76.6 Å²	76.6	88%	0.877	44%	0.441	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	120.9	169.4	-22.1	32.6	0	0	0	110.2
50	G	80.5	Confident	84.4	Confident	79 Å²	79	76.1 Å²	76.1	81%	0.814	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	79.7	10.5	-177.2	0	0	0	0	0	115.6	L48 R52	L48-G50 PolarHBondContact O-N 3Å; L48-G50 VanDerWaalsContact O-N 3.16Å; G50-R52 PolarHBondContact O-N 2.85Å
51	Q	81.9	Confident	84.5	Confident	35 Å²	35	77.7 Å²	77.7	16%	0.164	45%	0.45	C	S	.	.	P	Polyproline II helix	trans	-54.9	127.7	175.9	-174.4	177.7	-15.6	0	0	111	D38 D39 K40 K47 L48 I53	D38-Q51 WeakPolarHBondContact O-CG 3.44Å; D39-Q51 VanDerWaalsContact C-NE2 3.27Å; D39-Q51 PolarHBondContact O-NE2 3.46Å; K40-Q51 VanDerWaalsContact C-NE2 3.27Å; K40-Q51 PolarHBondContact O-NE2 3.47Å; K47-Q51 VanDerWaalsContact CB-OE1 3.31Å; L48-Q51 HydrophobicContact CB-CB 4.18Å; L48-Q51 VanDerWaalsContact O-CB 3.25Å; L48-Q51 WeakPolarHBondContact O-CB 3.34Å; L48-Q51 PolarHBondContact O-N 3.45Å; Q51-I53 PolarHBondContact O-N 3Å
52	R	74	Confident	84.3	Confident	181 Å²	181	81.9 Å²	81.9	68%	0.683	48%	0.481	S	S	*	.	P	Polyproline II helix	trans	-73.1	120.2	175.7	-71.4	-176.9	173.9	-175.5	-1.9	108.4	D38 D39 G50	D38-R52 PolarHBondContact O-N 2.99Å; D39-R52 VanDerWaalsContact CA-O 3.3Å; D39-R52 WeakPolarHBondContact CA-O 3.4Å; D39-R52 WeakPolarHBondContact CB-O 3.5Å; G50-R52 PolarHBondContact O-N 2.85Å
53	I	75.6	Confident	83.8	Confident	118 Å²	118	84.7 Å²	84.7	61%	0.605	51%	0.51	S	S	*	.	P	Polyproline II helix	trans	-94.7	117.7	174.8	-59.5	171.5	0	0	0	106.4	K47 Q51	K47-I53 HydrophobicContact CD-CD1 4.39Å; Q51-I53 PolarHBondContact O-N 3Å
54	N	80.9	Confident	83.3	Confident	107 Å²	107	90.4 Å²	90.4	57%	0.572	54%	0.539	S	S	*	.	P	Polyproline II helix	trans	-58.5	143.8	172.2	-64.7	-27.2	0	0	0	109.2	D39	D39-N54 PolarHBondContact OD2-ND2 2.86Å
55	A	83	Confident	82.9	Confident	21 Å²	21	92.6 Å²	92.6	17%	0.174	56%	0.562	C	S	.	*	P	Polyproline II helix	trans	-55.1	128.7	178.4	0	0	0	0	0	110.8	H144 Y146	A55-H144 WeakPolarHBondContact CB-O 3.39Å; A55-Y146 HydrophobicContact CB-CD2 3.47Å; A55-Y146 VanDerWaalsContact CB-CD2 3.47Å; A55-Y146 HydrophobicContact CB-CE2 3.76Å
56	P	83.2	Confident	82.7	Confident	77 Å²	77	94.6 Å²	94.6	50%	0.5	57%	0.567	S	S	.	*	P	Polyproline II helix	trans	-61	148.8	-179.3	25.9	-33.7	0	0	0	111.2	R135 L145	P56-R135 PolarHBondContact O-NH2 3.42Å; P56-L145 HydrophobicContact CG-CD2 4.37Å
57	T	88.3	Confident	82.5	Confident	88 Å²	88	98.7 Å²	98.7	54%	0.54	59%	0.586	S	S	.	*	P	Polyproline II helix	trans	-86	167.8	167.1	52.9	0	0	0	0	110.2	V59 D111	T57-V59 PolarHBondContact O-N 2.9Å; T57-D111 VanDerWaalsContact CA-OD2 3.26Å; T57-D111 WeakPolarHBondContact CA-OD2 3.34Å; T57-D111 WeakPolarHBondContact CB-OD2 3.32Å
58	S	90.1	Very high	82.5	Confident	8 Å²	8	96.2 Å²	96.2	6%	0.056	58%	0.58	C	S	.	*	P	Polyproline II helix	trans	-54.5	128.8	175	-62.7	0	0	0	0	111.1	D111 T148 V149	S58-D111 WeakPolarHBondContact CB-OD1 3.26Å; S58-D111 PolarHBondContact N-OD2 3.34Å; S58-D111 VanDerWaalsContact OG-CG 3.25Å; S58-D111 PolarHBondContact OG-OD1 2.88Å; S58-D111 PolarHBondContact OG-OD2 3.04Å; S58-T148 WeakPolarHBondContact OG-CA 3.06Å; S58-V149 PolarHBondContact OG-N 3.31Å
59	V	88.1	Confident	82.7	Confident	109 Å²	109	95.5 Å²	95.5	66%	0.661	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-94	118.2	177.5	-177.9	0	0	0	0	108.6	T57 H150	T57-V59 PolarHBondContact O-N 2.9Å; V59-H150 PolarHBondContact O-NE2 2.82Å
60	Y	89.3	Confident	83	Confident	54 Å²	54	91.1 Å²	91.1	21%	0.212	56%	0.555	C	S	.	*	P	Polyproline II helix	trans	-100.7	145.1	176.4	-58.9	-73	0	0	0	110.3	F74 P108 V149 F177 L181	Y60-F74 HydrophobicContact CD1-CE2 4.49Å; Y60-F74 AromaticContact CD1-CZ 3.97Å; Y60-F74 HydrophobicContact CD1-CZ 3.97Å; Y60-F74 AromaticContact CD2-CE2 3.7Å; Y60-F74 HydrophobicContact CD2-CE2 3.7Å; Y60-F74 AromaticContact CD2-CZ 3.89Å; Y60-F74 HydrophobicContact CD2-CZ 3.89Å; Y60-F74 HydrophobicContact CE1-CE2 4.32Å; Y60-F74 HydrophobicContact CE1-CZ 4.04Å; Y60-F74 HydrophobicContact CE2-CD2 4.37Å; Y60-F74 AromaticContact CE2-CE2 3.5Å; Y60-F74 HydrophobicContact CE2-CE2 3.5Å; Y60-F74 VanDerWaalsContact CE2-CE2 3.5Å; Y60-F74 AromaticContact CE2-CZ 3.96Å; Y60-F74 HydrophobicContact CE2-CZ 3.96Å; Y60-F74 HydrophobicContact CG-CE2 4.2Å; Y60-F74 AromaticContact CG-CZ 3.89Å; Y60-F74 HydrophobicContact CG-CZ 3.89Å; Y60-F74 AromaticContact CZ-CE2 3.83Å; Y60-P108 WeakPolarHBondContact OH-CA 3.48Å; Y60-P108 WeakPolarHBondContact OH-CB 3.5Å; Y60-P108 PolarHBondContact OH-O 3.24Å; Y60-V149 HydrophobicContact CE1-CG1 4.03Å; Y60-F177 HydrophobicContact CE1-CZ 4.48Å; Y60-L181 HydrophobicContact CD1-CD2 3.9Å
61	P	87.1	Confident	83.5	Confident	88 Å²	88	95.5 Å²	95.5	57%	0.571	55%	0.547	S	S	*	.	P	Polyproline II helix	trans	-62.9	151.1	177.5	27.1	-34.1	0	0	0	111.1	G63 L181	P61-G63 PolarHBondContact O-N 2.69Å; P61-L181 HydrophobicContact CG-CD2 4.23Å
62	S	82.1	Confident	83.9	Confident	131 Å²	131	98 Å²	98	92%	0.916	56%	0.561	S	S	*	*			trans	-63	107.6	174.9	-57.5	0	0	0	0	109.9
63	G	76.5	Confident	84.6	Confident	65 Å²	65	91.3 Å²	91.3	67%	0.67	54%	0.544	S	S	*	.			trans	-75.8	168.1	178.1	0	0	0	0	0	113	P61 G65	P61-G63 PolarHBondContact O-N 2.69Å; G63-G65 PolarHBondContact O-N 3.46Å
64	I	76.4	Confident	85.4	Confident	190 Å²	190	87.3 Å²	87.3	97%	0.974	52%	0.523	S	S	*	.	S	Bend	trans	-82.2	94.2	170.9	-54.3	167.3	0	0	0	106.9
65	G	76.9	Confident	85.9	Confident	66 Å²	66	86.4 Å²	86.4	68%	0.68	52%	0.518	S	S	*	.	S	Bend	trans	165.9	179.1	-179.3	0	0	0	0	0	114.7	G63	G63-G65 PolarHBondContact O-N 3.46Å
66	S	82.5	Confident	86.3	Confident	93 Å²	93	94.3 Å²	94.3	65%	0.65	55%	0.548	S	S	*	.			trans	-66.7	149.2	170.2	54.6	0	0	0	0	110.7	L68	S66-L68 VanDerWaalsContact C-N 3.35Å; S66-L68 PolarHBondContact O-N 2.97Å
67	Q	82.2	Confident	86.8	Confident	203 Å²	203	93.5 Å²	93.5	95%	0.949	54%	0.538	S	S	*	.			trans	-72.2	91.1	174.4	-67.6	-176	-2.6	0	0	109.3
68	L	87.4	Confident	87.1	Confident	95 Å²	95	90.9 Å²	90.9	50%	0.497	53%	0.525	S	S	.	.			trans	-82.9	147	174.8	-62.5	175.1	0	0	0	110.6	S66 L72 A73	S66-L68 VanDerWaalsContact C-N 3.35Å; S66-L68 PolarHBondContact O-N 2.97Å; L68-L72 HydrophobicContact CD2-CD2 4.23Å; L68-A73 HydrophobicContact CB-CB 4.3Å
69	P	89	Confident	87.4	Confident	62 Å²	62	90.5 Å²	90.5	40%	0.403	52%	0.523	S	S	.	.			trans	-58.8	145.4	169	-22.4	33.4	0	0	0	111.9	W71 L72 A73	P69-W71 VanDerWaalsContact C-N 3.32Å; P69-W71 HydrophobicContact CB-CD2 4.49Å; P69-W71 HydrophobicContact CB-CG 4.37Å; P69-W71 HydrophobicContact CB-CZ2 4.42Å; P69-W71 VanDerWaalsContact CB-NE1 3.28Å; P69-W71 HydrophobicContact CG-CZ2 4.42Å; P69-W71 PolarHBondContact O-N 2.61Å; P69-L72 PolarHBondContact O-N 3.01Å; P69-A73 PolarHBondContact O-N 3.43Å
70	A	88.6	Confident	87.8	Confident	44 Å²	44	86.1 Å²	86.1	36%	0.364	50%	0.496	S	S	.	.	H	α-helix	trans	-56.5	-41.1	-176.3	0	0	0	0	0	113.7	L72 A73 F74	A70-L72 PolarHBondContact O-N 3.04Å; A70-A73 PolarHBondContact O-N 2.6Å; A70-F74 HydrophobicContact CB-CD2 4.28Å; A70-F74 WeakPolarHBondContact O-CD2 3.38Å; A70-F74 PolarHBondContact O-N 2.82Å
71	W	89.9	Confident	88.2	Confident	170 Å²	170	83.6 Å²	83.6	64%	0.644	49%	0.487	S	S	*	.	H	α-helix	trans	-63	-24.1	177.8	63.8	-98.2	0	0	0	113.9	P69	P69-W71 VanDerWaalsContact C-N 3.32Å; P69-W71 HydrophobicContact CB-CD2 4.49Å; P69-W71 HydrophobicContact CB-CG 4.37Å; P69-W71 HydrophobicContact CB-CZ2 4.42Å; P69-W71 VanDerWaalsContact CB-NE1 3.28Å; P69-W71 HydrophobicContact CG-CZ2 4.42Å; P69-W71 PolarHBondContact O-N 2.61Å
72	L	90.8	Very high	88.6	Confident	88 Å²	88	81.5 Å²	81.5	46%	0.461	47%	0.471	S	S	.	.	H	α-helix	trans	-92	-38.5	176.4	-173.3	64.7	0	0	0	111.2	L68 P69 A70	L68-L72 HydrophobicContact CD2-CD2 4.23Å; P69-L72 PolarHBondContact O-N 3.01Å; A70-L72 PolarHBondContact O-N 3.04Å
73	A	89.4	Confident	89.3	Confident	40 Å²	40	75.2 Å²	75.2	33%	0.331	43%	0.427	S	S	.	.	H	α-helix	trans	-68.1	-34.3	-179.4	0	0	0	0	0	112.9	L68 P69 A70	L68-A73 HydrophobicContact CB-CB 4.3Å; P69-A73 PolarHBondContact O-N 3.43Å; A70-A73 PolarHBondContact O-N 2.6Å
74	F	91.2	Very high	90.3	Very high	34 Å²	34	74 Å²	74	15%	0.149	40%	0.403	C	S	.	.	T	Hydrogen-bonded Turn	trans	-114.4	21.6	-175.8	-55	-61.5	0	0	0	113.5	Y60 A70 K76 Q77 P108 E109 F177	Y60-F74 HydrophobicContact CD1-CE2 4.49Å; Y60-F74 AromaticContact CD1-CZ 3.97Å; Y60-F74 HydrophobicContact CD1-CZ 3.97Å; Y60-F74 AromaticContact CD2-CE2 3.7Å; Y60-F74 HydrophobicContact CD2-CE2 3.7Å; Y60-F74 AromaticContact CD2-CZ 3.89Å; Y60-F74 HydrophobicContact CD2-CZ 3.89Å; Y60-F74 HydrophobicContact CE1-CE2 4.32Å; Y60-F74 HydrophobicContact CE1-CZ 4.04Å; Y60-F74 HydrophobicContact CE2-CD2 4.37Å; Y60-F74 AromaticContact CE2-CE2 3.5Å; Y60-F74 HydrophobicContact CE2-CE2 3.5Å; Y60-F74 VanDerWaalsContact CE2-CE2 3.5Å; Y60-F74 AromaticContact CE2-CZ 3.96Å; Y60-F74 HydrophobicContact CE2-CZ 3.96Å; Y60-F74 HydrophobicContact CG-CE2 4.2Å; Y60-F74 AromaticContact CG-CZ 3.89Å; Y60-F74 HydrophobicContact CG-CZ 3.89Å; Y60-F74 AromaticContact CZ-CE2 3.83Å; A70-F74 HydrophobicContact CB-CD2 4.28Å; A70-F74 WeakPolarHBondContact O-CD2 3.38Å; A70-F74 PolarHBondContact O-N 2.82Å; F74-K76 PolarHBondContact O-N 2.79Å; F74-Q77 WeakPolarHBondContact O-CB 3.36Å; F74-Q77 PolarHBondContact O-N 2.8Å; F74-P108 HydrophobicContact CB-CB 4.2Å; F74-P108 HydrophobicContact CB-CG 3.99Å; F74-P108 HydrophobicContact CD1-CB 4.4Å; F74-P108 HydrophobicContact CD1-CG 4.48Å; F74-P108 HydrophobicContact CD2-CB 4.24Å; F74-P108 HydrophobicContact CG-CB 4.04Å; F74-P108 HydrophobicContact CG-CG 4.24Å; F74-E109 HydrophobicContact CB-CB 4.34Å; F74-F177 HydrophobicContact CD1-CE2 4.23Å; F74-F177 HydrophobicContact CD1-CZ 4.3Å; F74-F177 HydrophobicContact CE1-CE2 4.14Å; F74-F177 HydrophobicContact CE1-CZ 4.02Å
75	D	91.4	Very high	91.1	Very high	89 Å²	89	65.3 Å²	65.3	48%	0.476	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-51.9	128.4	179.7	-179.1	34.7	0	0	0	111.1	Q77	D75-Q77 PolarHBondContact O-N 2.76Å
76	K	91.4	Very high	91.9	Very high	187 Å²	187	67.6 Å²	67.6	81%	0.813	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.9	15.5	-179.5	-62.9	169.9	-170.1	174.1	0	115.7	F74	F74-K76 PolarHBondContact O-N 2.79Å
77	Q	93.8	Very high	92.3	Very high	59 Å²	59	66.5 Å²	66.5	28%	0.276	34%	0.335	S	S	.	.			trans	-88.1	130.2	171.3	-61.9	179.4	22.5	0	0	108.9	F74 D75 P108 F173	F74-Q77 WeakPolarHBondContact O-CB 3.36Å; F74-Q77 PolarHBondContact O-N 2.8Å; D75-Q77 PolarHBondContact O-N 2.76Å; Q77-P108 HydrophobicContact CB-CG 4.32Å; Q77-P108 WeakPolarHBondContact O-CD 3.42Å; Q77-F173 HydrophobicContact CB-CE1 4.27Å; Q77-F173 HydrophobicContact CB-CZ 3.99Å; Q77-F173 HydrophobicContact CG-CZ 3.99Å
78	A	95	Very high	92.7	Very high	33 Å²	33	61.2 Å²	61.2	27%	0.273	32%	0.32	S	S	.	.			trans	-135	133.7	174.5	0	0	0	0	0	109.2	Y107 F173	A78-Y107 HydrophobicContact CB-CD1 4.05Å; A78-Y107 HydrophobicContact CB-CE1 3.84Å; A78-F173 WeakPolarHBondContact O-CD1 3.41Å
79	L	96.4	Very high	92.7	Very high	1 Å²	1	57.6 Å²	57.6	1%	0.005	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	112.3	174.8	-54	-175.5	0	0	0	108.1	F81 L105 F106 V149 F173 T174 F177	L79-F81 HydrophobicContact CB-CE2 3.84Å; L79-F81 HydrophobicContact CB-CZ 4.35Å; L79-L105 CarbonylContact O-C 3.56Å; L79-L105 WeakPolarHBondContact O-CA 3.45Å; L79-F106 HydrophobicContact CB-CB 4.21Å; L79-F106 HydrophobicContact CD1-CD1 3.89Å; L79-F106 HydrophobicContact CG-CD1 4.33Å; L79-F106 PolarHBondContact N-O 3.38Å; L79-F106 PolarHBondContact O-N 3Å; L79-V149 HydrophobicContact CD1-CG2 3.8Å; L79-F173 HydrophobicContact CD2-CD1 4.31Å; L79-F173 HydrophobicContact CD2-CE1 3.93Å; L79-T174 HydrophobicContact CB-CG2 3.84Å; L79-T174 HydrophobicContact CD2-CG2 4.31Å; L79-F177 HydrophobicContact CD1-CD1 3.71Å; L79-F177 HydrophobicContact CD1-CE1 3.83Å; L79-F177 HydrophobicContact CD2-CB 3.71Å; L79-F177 HydrophobicContact CD2-CD1 3.51Å; L79-F177 HydrophobicContact CD2-CD2 4.15Å; L79-F177 HydrophobicContact CD2-CE1 4.09Å; L79-F177 HydrophobicContact CD2-CG 3.53Å; L79-F177 HydrophobicContact CG-CD1 4.22Å; L79-F177 HydrophobicContact CG-CE1 4.46Å
80	S	96.8	Very high	92.5	Very high	16 Å²	16	61.8 Å²	61.8	11%	0.112	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.1	126.1	178.3	-177.4	0	0	0	0	111	D171 T174	S80-D171 PolarHBondContact O-N 3.48Å; S80-D171 VanDerWaalsContact O-N 3.1Å; S80-T174 PolarHBondContact N-OG1 3.21Å; S80-T174 PolarHBondContact O-OG1 3.29Å
81	F	97.2	Very high	92.4	Very high	1 Å²	1	68.8 Å²	68.8	0%	0.004	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	136.7	173.1	-58.4	-88.8	0	0	0	109.6	L79 K103 I104 F152 I167 S169 C170 T174 L178	L79-F81 HydrophobicContact CB-CE2 3.84Å; L79-F81 HydrophobicContact CB-CZ 4.35Å; F81-K103 CarbonylContact O-C 3.59Å; F81-K103 VanDerWaalsContact O-CA 3.27Å; F81-K103 WeakPolarHBondContact O-CA 3.42Å; F81-I104 HydrophobicContact CB-CB 4.32Å; F81-I104 PolarHBondContact N-O 3.24Å; F81-I104 PolarHBondContact O-N 3.2Å; F81-F152 HydrophobicContact CD2-CD1 4.47Å; F81-F152 HydrophobicContact CE1-CB 4.23Å; F81-F152 HydrophobicContact CE2-CB 3.89Å; F81-F152 HydrophobicContact CE2-CD1 4.33Å; F81-F152 HydrophobicContact CE2-CG 4.18Å; F81-F152 HydrophobicContact CZ-CB 3.64Å; F81-F152 HydrophobicContact CZ-CG 4.43Å; F81-I167 HydrophobicContact CB-CG2 3.92Å; F81-I167 HydrophobicContact CD1-CG2 3.88Å; F81-I167 HydrophobicContact CG-CG2 4.25Å; F81-S169 CarbonylContact C-O 3.54Å; F81-S169 WeakPolarHBondContact CA-O 3.4Å; F81-C170 HydrophobicContact CD1-CB 3.66Å; F81-C170 HydrophobicContact CE1-CB 4.05Å; F81-C170 HydrophobicContact CG-CB 4.49Å; F81-T174 HydrophobicContact CD1-CG2 4.15Å; F81-T174 HydrophobicContact CE1-CG2 3.54Å; F81-T174 HydrophobicContact CE2-CG2 3.96Å; F81-T174 HydrophobicContact CZ-CG2 3.43Å; F81-T174 VanDerWaalsContact CZ-CG2 3.43Å; F81-L178 HydrophobicContact CE1-CD1 3.71Å; F81-L178 HydrophobicContact CZ-CD1 3.84Å
82	D	96.9	Very high	92	Very high	44 Å²	44	67.2 Å²	67.2	24%	0.235	34%	0.341	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	130.6	168.8	-54.7	-54.2	0	0	0	108.6	K103 V168 S169	D82-K103 WeakPolarHBondContact OD1-CE 3.48Å; D82-V168 PolarHBondContact O-N 2.61Å; D82-S169 WeakPolarHBondContact CB-OG 3.38Å; D82-S169 PolarHBondContact N-O 2.97Å; D82-S169 PolarHBondContact O-N 3.16Å; D82-S169 PolarHBondContact OD2-OG 3.03Å
83	A	96.9	Very high	91.5	Very high	0 Å²	0	74.7 Å²	74.7	0%	0	36%	0.362	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	166.3	-177.8	0	0	0	0	0	110.8	C102 I104 F165 R166 I167	A83-C102 PolarHBondContact N-O 3.03Å; A83-C102 PolarHBondContact O-N 3.1Å; A83-C102 PolarHBondContact O-SG 3.5Å; A83-C102 VanDerWaalsContact O-SG 3.4Å; A83-I104 HydrophobicContact CB-CD1 3.66Å; A83-I104 HydrophobicContact CB-CG1 4Å; A83-F165 HydrophobicContact CB-CB 4.37Å; A83-R166 CarbonylContact C-O 3.57Å; A83-R166 WeakPolarHBondContact CA-O 3.43Å; A83-R166 WeakPolarHBondContact CB-O 3.27Å; A83-I167 HydrophobicContact CB-CG1 4.48Å
84	Y	95.8	Very high	91	Very high	40 Å²	40	78.8 Å²	78.8	16%	0.157	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.7	156.5	164.2	71.8	-82.2	0	0	0	109.7	I99 R100 F165 R166 V168 I191 P192	Y84-I99 HydrophobicContact CD2-CD1 3.93Å; Y84-I99 HydrophobicContact CD2-CG2 3.79Å; Y84-I99 HydrophobicContact CE2-CD1 4.04Å; Y84-I99 HydrophobicContact CG-CG2 4.01Å; Y84-R100 VanDerWaalsContact CA-O 3.27Å; Y84-R100 WeakPolarHBondContact CA-O 3.37Å; Y84-F165 CarbonylContact O-C 3.51Å; Y84-F165 WeakPolarHBondContact O-CA 3.35Å; Y84-R166 HydrophobicContact CD1-CB 4.05Å; Y84-R166 HydrophobicContact CD1-CG 4.41Å; Y84-R166 HydrophobicContact CE1-CB 3.58Å; Y84-R166 HydrophobicContact CE1-CG 3.6Å; Y84-R166 HydrophobicContact CE2-CB 4.4Å; Y84-R166 PolarHBondContact N-O 2.83Å; Y84-R166 PolarHBondContact O-N 3.15Å; Y84-V168 HydrophobicContact CD1-CG2 3.46Å; Y84-V168 VanDerWaalsContact CD1-CG2 3.46Å; Y84-V168 HydrophobicContact CE1-CG2 3.48Å; Y84-V168 VanDerWaalsContact CE1-CG2 3.48Å; Y84-I191 HydrophobicContact CD1-CB 4.49Å; Y84-I191 HydrophobicContact CD1-CG1 4.43Å; Y84-I191 HydrophobicContact CD1-CG2 3.99Å; Y84-I191 HydrophobicContact CG-CG2 3.99Å; Y84-P192 HydrophobicContact CE1-CG 4.12Å; Y84-P192 HydrophobicContact CE2-CG 3.89Å; Y84-P192 VanDerWaalsContact CZ-CD 3.41Å
85	F	94.6	Very high	90.7	Very high	6 Å²	6	77.3 Å²	77.3	3%	0.026	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	148.6	163.2	67.8	-81.2	0	0	0	109.1	E87 R100 I130 K163 T164 F165	F85-E87 HydrophobicContact CE2-CB 4.3Å; F85-R100 HydrophobicContact CD1-CB 3.88Å; F85-R100 HydrophobicContact CE1-CB 3.34Å; F85-R100 HydrophobicContact CE1-CG 4.34Å; F85-R100 HydrophobicContact CE2-CB 4.04Å; F85-R100 HydrophobicContact CE2-CG 4.35Å; F85-R100 HydrophobicContact CG-CB 4.45Å; F85-R100 HydrophobicContact CZ-CB 3.46Å; F85-R100 VanDerWaalsContact CZ-CB 3.46Å; F85-R100 VanDerWaalsContact CZ-CD 3.42Å; F85-R100 HydrophobicContact CZ-CG 3.97Å; F85-R100 PolarHBondContact N-O 3.06Å; F85-R100 VanDerWaalsContact N-O 3.12Å; F85-R100 PolarHBondContact O-N 2.67Å; F85-I130 HydrophobicContact CE1-CD1 3.57Å; F85-I130 HydrophobicContact CZ-CD1 4.19Å; F85-K163 HydrophobicContact CD2-CD 4.48Å; F85-K163 HydrophobicContact CE2-CD 4.29Å; F85-T164 VanDerWaalsContact CB-O 3.26Å; F85-T164 WeakPolarHBondContact CB-O 3.49Å; F85-F165 HydrophobicContact CB-CD1 3.82Å; F85-F165 HydrophobicContact CB-CE1 4.14Å; F85-F165 HydrophobicContact CB-CG 4.42Å; F85-F165 AromaticContact CD1-CD1 3.68Å; F85-F165 HydrophobicContact CD1-CD1 3.68Å; F85-F165 AromaticContact CD1-CE1 3.36Å; F85-F165 HydrophobicContact CD1-CE1 3.36Å; F85-F165 HydrophobicContact CD1-CZ 4.4Å; F85-F165 AromaticContact CE1-CE1 3.94Å; F85-F165 HydrophobicContact CE1-CE1 3.94Å; F85-F165 HydrophobicContact CG-CD1 4.08Å; F85-F165 AromaticContact CG-CE1 3.92Å; F85-F165 HydrophobicContact CG-CE1 3.92Å
86	Q	93.1	Very high	90.5	Very high	114 Å²	114	80.8 Å²	80.8	53%	0.533	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	124.9	176.2	-174.5	177.6	-44.1	0	0	108.8	Y97 R98 I99	Q86-Y97 HydrophobicContact CG-CD2 4.06Å; Q86-Y97 HydrophobicContact CG-CG 4.16Å; Q86-R98 WeakPolarHBondContact CA-O 3.17Å; Q86-I99 HydrophobicContact CB-CD1 4.16Å; Q86-I99 HydrophobicContact CG-CD1 4.15Å
87	E	90.4	Very high	90.5	Very high	71 Å²	71	75.8 Å²	75.8	33%	0.332	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107	125	174.3	-172.9	166.9	-163.7	0	0	108.2	F85 Y97 R98 R100	F85-E87 HydrophobicContact CE2-CB 4.3Å; E87-Y97 CarbonylContact O-C 3.56Å; E87-Y97 VanDerWaalsContact O-CA 3.27Å; E87-Y97 WeakPolarHBondContact O-CA 3.47Å; E87-R98 PolarHBondContact N-O 3.17Å; E87-R98 PolarHBondContact O-N 3.19Å; E87-R100 WeakPolarHBondContact OE2-CD 3.47Å; E87-R100 IonicContact OE2-NH1 3.89Å; E87-R100 PolarHBondContact OE2-NH1 3.41Å
88	S	90.4	Very high	90.3	Very high	91 Å²	91	75.4 Å²	75.4	64%	0.636	35%	0.354	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.5	131.4	176.4	54.3	0	0	0	0	110.2
89	V	87.9	Confident	90.2	Very high	20 Å²	20	74.2 Å²	74.2	12%	0.121	34%	0.344	C	S	.	.			trans	-117.6	113.8	177.5	-178.2	0	0	0	0	108.3	R92 E95 Q96 R98	V89-R92 HydrophobicContact CG1-CB 4.26Å; V89-E95 HydrophobicContact CB-CG 4.25Å; V89-E95 HydrophobicContact CG1-CG 4.03Å; V89-E95 HydrophobicContact CG2-CG 4.47Å; V89-Q96 PolarHBondContact N-O 3.01Å; V89-R98 HydrophobicContact CG2-CB 4.03Å
90	N	85.7	Confident	90.1	Very high	150 Å²	150	75.5 Å²	75.5	80%	0.802	35%	0.348	S	S	*	.			trans	-100.7	-15.3	-178.2	-63.4	-5.9	0	0	0	112.8
91	E	85.8	Confident	89.9	Confident	190 Å²	190	78.5 Å²	78.5	89%	0.888	36%	0.359	S	S	*	.	S	Bend	trans	-87.9	-19.1	-169.6	-62.1	178.8	172.7	0	0	113.6
92	R	80.7	Confident	89.8	Confident	138 Å²	138	78.7 Å²	78.7	52%	0.521	36%	0.36	S	S	.	.			trans	-113.4	146.6	-177.7	-73.7	-158.5	176.6	-156.5	-0.6	111.6	V89 E95	V89-R92 HydrophobicContact CG1-CB 4.26Å; R92-E95 HydrophobicContact CB-CG 4.15Å
93	R	81.1	Confident	89.8	Confident	244 Å²	244	81.1 Å²	81.1	92%	0.921	37%	0.369	S	S	*	.	S	Bend	trans	-84.1	-28.1	178.1	-169.3	179.5	179.3	-169.9	0.2	111.9
94	E	79.6	Confident	89.8	Confident	126 Å²	126	81.1 Å²	81.1	59%	0.589	37%	0.369	S	S	*	.	S	Bend	trans	-80.4	-24.6	-174.7	-53.8	85.6	-178.4	0	0	113.6
95	E	83.4	Confident	89.9	Confident	4 Å²	4	80.8 Å²	80.8	2%	0.019	37%	0.37	C	S	.	.			trans	-131.7	128.5	177.6	62.7	178.4	169.2	0	0	110	V89 R92 R98 P195 Y196	V89-E95 HydrophobicContact CB-CG 4.25Å; V89-E95 HydrophobicContact CG1-CG 4.03Å; V89-E95 HydrophobicContact CG2-CG 4.47Å; R92-E95 HydrophobicContact CB-CG 4.15Å; E95-R98 IonicContact OE1-CZ 3.24Å; E95-R98 IonicContact OE1-NE 2.94Å; E95-R98 IonicContact OE1-NH2 3.16Å; E95-R98 PolarHBondContact OE1-NH2 3.17Å; E95-R98 IonicContact OE2-NE 3.5Å; E95-R98 PolarHBondContact OE2-NE 2.87Å; E95-R98 IonicContact OE2-NH2 2.61Å; E95-P195 HydrophobicContact CB-CB 4.43Å; E95-Y196 VanDerWaalsContact OE2-CB 3.3Å; E95-Y196 WeakPolarHBondContact OE2-CB 3.3Å
96	Q	88.5	Confident	90	Very high	162 Å²	162	80.5 Å²	80.5	76%	0.757	37%	0.369	S	S	*	.	S	Bend	trans	-91.9	-21.1	171.3	-67.1	178.9	-6	0	0	111.8	V89	V89-Q96 PolarHBondContact N-O 3.01Å
97	Y	90.8	Very high	90.2	Very high	82 Å²	82	76.9 Å²	76.9	32%	0.322	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	154.7	-179.2	65.8	-90.1	0	0	0	109.4	Q86 E87 I99 P195	Q86-Y97 HydrophobicContact CG-CD2 4.06Å; Q86-Y97 HydrophobicContact CG-CG 4.16Å; E87-Y97 CarbonylContact O-C 3.56Å; E87-Y97 VanDerWaalsContact O-CA 3.27Å; E87-Y97 WeakPolarHBondContact O-CA 3.47Å; Y97-I99 HydrophobicContact CD2-CD1 3.76Å; Y97-I99 HydrophobicContact CD2-CG1 3.92Å; Y97-I99 HydrophobicContact CE2-CD1 3.84Å; Y97-I99 HydrophobicContact CE2-CG1 3.76Å; Y97-P195 HydrophobicContact CD2-CG 4.43Å; Y97-P195 HydrophobicContact CE1-CG 4.24Å; Y97-P195 HydrophobicContact CE2-CG 3.82Å
98	R	90.4	Very high	90.3	Very high	50 Å²	50	73.6 Å²	73.6	19%	0.189	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	135.3	175.1	-167.8	176.9	-65.4	152.7	1.7	109.9	Q86 E87 V89 E95 R100 M125 D194	Q86-R98 WeakPolarHBondContact CA-O 3.17Å; E87-R98 PolarHBondContact N-O 3.17Å; E87-R98 PolarHBondContact O-N 3.19Å; V89-R98 HydrophobicContact CG2-CB 4.03Å; E95-R98 IonicContact OE1-CZ 3.24Å; E95-R98 IonicContact OE1-NE 2.94Å; E95-R98 IonicContact OE1-NH2 3.16Å; E95-R98 PolarHBondContact OE1-NH2 3.17Å; E95-R98 IonicContact OE2-NE 3.5Å; E95-R98 PolarHBondContact OE2-NE 2.87Å; E95-R98 IonicContact OE2-NH2 2.61Å; R98-R100 HydrophobicContact CG-CG 4.41Å; R98-M125 WeakPolarHBondContact CD-SD 3.45Å; R98-M125 PolarHBondContact NH1-SD 2.59Å; R98-D194 WeakPolarHBondContact CG-OD1 3.14Å
99	I	92.4	Very high	90.5	Very high	9 Å²	9	71.4 Å²	71.4	5%	0.046	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	112.9	176.7	-58	-63.8	0	0	0	109	Y84 Q86 Y97 I191 P192 D194	Y84-I99 HydrophobicContact CD2-CD1 3.93Å; Y84-I99 HydrophobicContact CD2-CG2 3.79Å; Y84-I99 HydrophobicContact CE2-CD1 4.04Å; Y84-I99 HydrophobicContact CG-CG2 4.01Å; Q86-I99 HydrophobicContact CB-CD1 4.16Å; Q86-I99 HydrophobicContact CG-CD1 4.15Å; Y97-I99 HydrophobicContact CD2-CD1 3.76Å; Y97-I99 HydrophobicContact CD2-CG1 3.92Å; Y97-I99 HydrophobicContact CE2-CD1 3.84Å; Y97-I99 HydrophobicContact CE2-CG1 3.76Å; I99-I191 HydrophobicContact CG2-CG2 3.86Å; I99-P192 HydrophobicContact CD1-CB 4.28Å; I99-P192 HydrophobicContact CG1-CB 4.27Å; I99-P192 WeakPolarHBondContact CG2-O 3.41Å; I99-D194 HydrophobicContact CB-CB 4.06Å; I99-D194 PolarHBondContact N-OD1 3.27Å
100	R	93	Very high	90.7	Very high	28 Å²	28	73.7 Å²	73.7	11%	0.106	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.5	109.9	177.8	-69.9	-174.1	70	170	9.9	110.1	Y84 F85 E87 R98 E117 M125 A126	Y84-R100 VanDerWaalsContact CA-O 3.27Å; Y84-R100 WeakPolarHBondContact CA-O 3.37Å; F85-R100 HydrophobicContact CD1-CB 3.88Å; F85-R100 HydrophobicContact CE1-CB 3.34Å; F85-R100 HydrophobicContact CE1-CG 4.34Å; F85-R100 HydrophobicContact CE2-CB 4.04Å; F85-R100 HydrophobicContact CE2-CG 4.35Å; F85-R100 HydrophobicContact CG-CB 4.45Å; F85-R100 HydrophobicContact CZ-CB 3.46Å; F85-R100 VanDerWaalsContact CZ-CB 3.46Å; F85-R100 VanDerWaalsContact CZ-CD 3.42Å; F85-R100 HydrophobicContact CZ-CG 3.97Å; F85-R100 PolarHBondContact N-O 3.06Å; F85-R100 VanDerWaalsContact N-O 3.12Å; F85-R100 PolarHBondContact O-N 2.67Å; E87-R100 WeakPolarHBondContact OE2-CD 3.47Å; E87-R100 IonicContact OE2-NH1 3.89Å; E87-R100 PolarHBondContact OE2-NH1 3.41Å; R98-R100 HydrophobicContact CG-CG 4.41Å; R100-E117 IonicContact CZ-OE1 3.73Å; R100-E117 IonicContact CZ-OE2 3.03Å; R100-E117 VanDerWaalsContact CZ-OE2 3.24Å; R100-E117 IonicContact NE-OE1 2.73Å; R100-E117 PolarHBondContact NE-OE1 2.92Å; R100-E117 IonicContact NE-OE2 3.4Å; R100-E117 PolarHBondContact NE-OE2 3.44Å; R100-E117 VanDerWaalsContact NE-OE2 3.16Å; R100-E117 IonicContact NH2-OE1 3.27Å; R100-E117 IonicContact NH2-OE2 2.89Å; R100-E117 PolarHBondContact NH2-OE2 2.87Å; R100-M125 HydrophobicContact CG-CE 4.37Å; R100-M125 HydrophobicContact CG-SD 4.49Å; R100-A126 PolarHBondContact NH2-O 2.72Å
101	K	94.2	Very high	91.1	Very high	79 Å²	79	66.8 Å²	66.8	34%	0.343	29%	0.29	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.7	134.7	177.1	-56.7	-171.9	178.5	179.9	0	108.8	E117 P118 I191	K101-E117 WeakPolarHBondContact O-CG 3.26Å; K101-P118 WeakPolarHBondContact O-CD 3.4Å; K101-I191 HydrophobicContact CD-CD1 4.32Å; K101-I191 HydrophobicContact CD-CG2 4.49Å; K101-I191 HydrophobicContact CG-CD1 4.32Å; K101-I191 HydrophobicContact CG-CG2 4.17Å
102	C	94.9	Very high	91.6	Very high	4 Å²	4	58.4 Å²	58.4	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.7	161.4	179.5	60.5	0	0	0	0	110.9	A83 V115 V116 I130 F165	A83-C102 PolarHBondContact N-O 3.03Å; A83-C102 PolarHBondContact O-N 3.1Å; A83-C102 PolarHBondContact O-SG 3.5Å; A83-C102 VanDerWaalsContact O-SG 3.4Å; C102-V115 HydrophobicContact CB-CG1 3.95Å; C102-V116 CarbonylContact C-O 3.58Å; C102-V116 WeakPolarHBondContact CA-O 3.49Å; C102-I130 HydrophobicContact CB-CD1 4.17Å; C102-F165 WeakPolarHBondContact SG-CD1 3.09Å
103	K	96.6	Very high	92.4	Very high	95 Å²	95	51.8 Å²	51.8	41%	0.413	23%	0.226	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	125.2	171.9	-67.4	-167.8	171.3	-164.4	0	108.3	F81 D82 V115 V116	F81-K103 CarbonylContact O-C 3.59Å; F81-K103 VanDerWaalsContact O-CA 3.27Å; F81-K103 WeakPolarHBondContact O-CA 3.42Å; D82-K103 WeakPolarHBondContact OD1-CE 3.48Å; K103-V115 WeakPolarHBondContact O-CA 3.36Å; K103-V116 PolarHBondContact N-O 3.31Å; K103-V116 PolarHBondContact O-N 2.93Å
104	I	97.1	Very high	93.1	Very high	0 Å²	0	42 Å²	42	0%	0	19%	0.191	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-95.9	119.3	172.8	-55.2	170.6	0	0	0	106.6	F81 A83 I113 V115 F152 F158 F165 I167	F81-I104 HydrophobicContact CB-CB 4.32Å; F81-I104 PolarHBondContact N-O 3.24Å; F81-I104 PolarHBondContact O-N 3.2Å; A83-I104 HydrophobicContact CB-CD1 3.66Å; A83-I104 HydrophobicContact CB-CG1 4Å; I104-I113 HydrophobicContact CG2-CG2 3.83Å; I104-V115 HydrophobicContact CG1-CG1 4.5Å; I104-V115 HydrophobicContact CG1-CG2 4.22Å; I104-V115 HydrophobicContact CG2-CG2 4.46Å; I104-F152 HydrophobicContact CG2-CE1 3.88Å; I104-F158 HydrophobicContact CD1-CB 4.13Å; I104-F158 HydrophobicContact CD1-CD1 3.64Å; I104-F158 HydrophobicContact CD1-CE1 4.45Å; I104-F158 HydrophobicContact CD1-CG 4.15Å; I104-F158 HydrophobicContact CG1-CD1 4.44Å; I104-F165 HydrophobicContact CD1-CB 3.94Å; I104-F165 HydrophobicContact CD1-CG 4.47Å; I104-I167 HydrophobicContact CD1-CD1 4.42Å; I104-I167 HydrophobicContact CD1-CG1 3.99Å
105	L	97.3	Very high	94	Very high	34 Å²	34	36 Å²	36	18%	0.178	16%	0.163	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.1	119.3	177.8	-55.7	175.6	0	0	0	108	L79 Y107 I113 Q114 V116	L79-L105 CarbonylContact O-C 3.56Å; L79-L105 WeakPolarHBondContact O-CA 3.45Å; L105-Y107 HydrophobicContact CB-CE2 3.93Å; L105-I113 CarbonylContact O-C 3.56Å; L105-I113 WeakPolarHBondContact O-CA 3.3Å; L105-Q114 HydrophobicContact CB-CB 4.31Å; L105-Q114 PolarHBondContact N-O 2.92Å; L105-Q114 PolarHBondContact O-N 3.36Å; L105-V116 HydrophobicContact CD1-CG2 4.37Å
106	F	96.8	Very high	94.6	Very high	0 Å²	0	37.6 Å²	37.6	0%	0	17%	0.173	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	128.2	173.5	177.5	-88.4	0	0	0	109.5	L79 P108 D111 I113 V149 F152	L79-F106 HydrophobicContact CB-CB 4.21Å; L79-F106 HydrophobicContact CD1-CD1 3.89Å; L79-F106 HydrophobicContact CG-CD1 4.33Å; L79-F106 PolarHBondContact N-O 3.38Å; L79-F106 PolarHBondContact O-N 3Å; F106-P108 HydrophobicContact CE1-CB 4.12Å; F106-P108 VanDerWaalsContact O-CD 3.25Å; F106-P108 WeakPolarHBondContact O-CD 3.22Å; F106-D111 HydrophobicContact CE2-CB 4.47Å; F106-D111 HydrophobicContact CZ-CB 4.33Å; F106-D111 WeakPolarHBondContact CZ-OD1 3.33Å; F106-I113 HydrophobicContact CD2-CD1 4.36Å; F106-I113 HydrophobicContact CD2-CG1 3.68Å; F106-I113 HydrophobicContact CE2-CG1 4.35Å; F106-V149 HydrophobicContact CD1-CG2 4.45Å; F106-V149 HydrophobicContact CE1-CB 3.77Å; F106-V149 HydrophobicContact CE1-CG2 4.01Å; F106-V149 HydrophobicContact CZ-CB 3.94Å; F106-F152 HydrophobicContact CD2-CD2 4.06Å; F106-F152 AromaticContact CD2-CE2 3.52Å; F106-F152 HydrophobicContact CD2-CE2 3.52Å; F106-F152 HydrophobicContact CD2-CZ 4.22Å; F106-F152 AromaticContact CE2-CE2 4Å; F106-F152 HydrophobicContact CE2-CE2 4Å; F106-F152 HydrophobicContact CG-CD2 4.48Å; F106-F152 HydrophobicContact CG-CE2 4.29Å
107	Y	96.8	Very high	94.9	Very high	37 Å²	37	30.1 Å²	30.1	15%	0.145	14%	0.138	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	100.5	-178.3	-62.7	-85.9	0	0	0	109.3	A78 L105 E109 D110 D111 T112 Q114 R133	A78-Y107 HydrophobicContact CB-CD1 4.05Å; A78-Y107 HydrophobicContact CB-CE1 3.84Å; L105-Y107 HydrophobicContact CB-CE2 3.93Å; Y107-E109 PolarHBondContact O-N 2.97Å; Y107-E109 VanDerWaalsContact O-N 3.16Å; Y107-D110 PolarHBondContact O-N 3Å; Y107-D111 WeakPolarHBondContact O-CA 3.32Å; Y107-D111 PolarHBondContact O-N 2.97Å; Y107-T112 WeakPolarHBondContact CD2-O 3.49Å; Y107-T112 PolarHBondContact N-O 3.05Å; Y107-T112 PolarHBondContact O-N 3.16Å; Y107-Q114 HydrophobicContact CE2-CB 3.89Å; Y107-Q114 PolarHBondContact OH-OE1 3.4Å; Y107-R133 HydrophobicContact CD2-CG 3.97Å; Y107-R133 HydrophobicContact CE2-CG 4.01Å
108	P	94	Very high	95.1	Very high	2 Å²	2	29 Å²	29	1%	0.013	14%	0.141	C	C	.	.	T	Hydrogen-bonded Turn	trans	-64.6	-15.5	-176.6	22.3	-33.2	0	0	0	114.9	Y60 F74 Q77 F106 D110 F177	Y60-P108 WeakPolarHBondContact OH-CA 3.48Å; Y60-P108 WeakPolarHBondContact OH-CB 3.5Å; Y60-P108 PolarHBondContact OH-O 3.24Å; F74-P108 HydrophobicContact CB-CB 4.2Å; F74-P108 HydrophobicContact CB-CG 3.99Å; F74-P108 HydrophobicContact CD1-CB 4.4Å; F74-P108 HydrophobicContact CD1-CG 4.48Å; F74-P108 HydrophobicContact CD2-CB 4.24Å; F74-P108 HydrophobicContact CG-CB 4.04Å; F74-P108 HydrophobicContact CG-CG 4.24Å; Q77-P108 HydrophobicContact CB-CG 4.32Å; Q77-P108 WeakPolarHBondContact O-CD 3.42Å; F106-P108 HydrophobicContact CE1-CB 4.12Å; F106-P108 VanDerWaalsContact O-CD 3.25Å; F106-P108 WeakPolarHBondContact O-CD 3.22Å; P108-D110 VanDerWaalsContact C-N 3.33Å; P108-D110 PolarHBondContact O-N 3.29Å; P108-F177 HydrophobicContact CB-CZ 4.35Å; P108-F177 HydrophobicContact CG-CZ 4.43Å
109	E	92.7	Very high	95.2	Very high	46 Å²	46	36.9 Å²	36.9	22%	0.215	17%	0.17	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65	-31.7	177.1	56.6	-178.9	-179.6	0	0	113.9	F74 Y107 R133	F74-E109 HydrophobicContact CB-CB 4.34Å; Y107-E109 PolarHBondContact O-N 2.97Å; Y107-E109 VanDerWaalsContact O-N 3.16Å; E109-R133 IonicContact OE1-CZ 2.69Å; E109-R133 IonicContact OE1-NH1 2.77Å; E109-R133 PolarHBondContact OE1-NH1 3.24Å; E109-R133 VanDerWaalsContact OE1-NH1 3.13Å; E109-R133 IonicContact OE1-NH2 2.81Å; E109-R133 PolarHBondContact OE1-NH2 2.94Å
110	D	93	Very high	95	Very high	67 Å²	67	39.7 Å²	39.7	36%	0.358	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-144	11.5	-173.4	64.7	-2.9	0	0	0	114.5	Y107 P108 T112 R133	Y107-D110 PolarHBondContact O-N 3Å; P108-D110 VanDerWaalsContact C-N 3.33Å; P108-D110 PolarHBondContact O-N 3.29Å; D110-T112 HydrophobicContact CB-CG2 4.27Å; D110-T112 VanDerWaalsContact CG-OG1 3.3Å; D110-T112 PolarHBondContact O-N 3.19Å; D110-T112 WeakPolarHBondContact OD1-CB 3.44Å; D110-T112 VanDerWaalsContact OD1-CG2 3.32Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.27Å; D110-T112 PolarHBondContact OD1-N 3.48Å; D110-T112 VanDerWaalsContact OD1-N 3.17Å; D110-T112 PolarHBondContact OD1-OG1 3.27Å; D110-T112 VanDerWaalsContact OD2-CG2 3.27Å; D110-T112 WeakPolarHBondContact OD2-CG2 3.32Å; D110-T112 PolarHBondContact OD2-OG1 2.97Å; D110-R133 IonicContact OD1-NH2 3.34Å; D110-R133 PolarHBondContact OD1-NH2 2.79Å; D110-R133 IonicContact OD2-CZ 2.82Å; D110-R133 IonicContact OD2-NE 2.84Å; D110-R133 IonicContact OD2-NH2 3.69Å; D110-R133 PolarHBondContact OD2-NH2 2.77Å
111	D	94.4	Very high	94.6	Very high	6 Å²	6	42.2 Å²	42.2	3%	0.032	21%	0.212	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.3	26.3	-176.1	-64.8	-30.8	0	0	0	113.9	T57 S58 F106 Y107	T57-D111 VanDerWaalsContact CA-OD2 3.26Å; T57-D111 WeakPolarHBondContact CA-OD2 3.34Å; T57-D111 WeakPolarHBondContact CB-OD2 3.32Å; S58-D111 WeakPolarHBondContact CB-OD1 3.26Å; S58-D111 PolarHBondContact N-OD2 3.34Å; S58-D111 VanDerWaalsContact OG-CG 3.25Å; S58-D111 PolarHBondContact OG-OD1 2.88Å; S58-D111 PolarHBondContact OG-OD2 3.04Å; F106-D111 HydrophobicContact CE2-CB 4.47Å; F106-D111 HydrophobicContact CZ-CB 4.33Å; F106-D111 WeakPolarHBondContact CZ-OD1 3.33Å; Y107-D111 WeakPolarHBondContact O-CA 3.32Å; Y107-D111 PolarHBondContact O-N 2.97Å
112	T	96.2	Very high	94.1	Very high	13 Å²	13	43.7 Å²	43.7	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	149.3	177.9	61.3	0	0	0	0	111.7	Y107 D110 R133 R135	Y107-T112 WeakPolarHBondContact CD2-O 3.49Å; Y107-T112 PolarHBondContact N-O 3.05Å; Y107-T112 PolarHBondContact O-N 3.16Å; D110-T112 HydrophobicContact CB-CG2 4.27Å; D110-T112 VanDerWaalsContact CG-OG1 3.3Å; D110-T112 PolarHBondContact O-N 3.19Å; D110-T112 WeakPolarHBondContact OD1-CB 3.44Å; D110-T112 VanDerWaalsContact OD1-CG2 3.32Å; D110-T112 WeakPolarHBondContact OD1-CG2 3.27Å; D110-T112 PolarHBondContact OD1-N 3.48Å; D110-T112 VanDerWaalsContact OD1-N 3.17Å; D110-T112 PolarHBondContact OD1-OG1 3.27Å; D110-T112 VanDerWaalsContact OD2-CG2 3.27Å; D110-T112 WeakPolarHBondContact OD2-CG2 3.32Å; D110-T112 PolarHBondContact OD2-OG1 2.97Å; T112-R133 VanDerWaalsContact OG1-CG 3.3Å; T112-R133 WeakPolarHBondContact OG1-CG 3.5Å; T112-R133 PolarHBondContact OG1-NE 2.81Å; T112-R133 PolarHBondContact OG1-NH2 3.08Å; T112-R135 HydrophobicContact CG2-CG 3.98Å
113	I	96.9	Very high	93.6	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138.4	-179.6	-62.4	148.3	0	0	0	108.6	I104 L105 F106 V115 R133 H134 I136 Y147 F152 F158	I104-I113 HydrophobicContact CG2-CG2 3.83Å; L105-I113 CarbonylContact O-C 3.56Å; L105-I113 WeakPolarHBondContact O-CA 3.3Å; F106-I113 HydrophobicContact CD2-CD1 4.36Å; F106-I113 HydrophobicContact CD2-CG1 3.68Å; F106-I113 HydrophobicContact CE2-CG1 4.35Å; I113-V115 HydrophobicContact CG2-CG2 4.4Å; I113-R133 WeakPolarHBondContact O-CA 3.39Å; I113-H134 PolarHBondContact N-O 2.83Å; I113-H134 PolarHBondContact O-N 3.11Å; I113-I136 HydrophobicContact CB-CD1 3.71Å; I113-I136 HydrophobicContact CB-CG1 4.27Å; I113-I136 HydrophobicContact CD1-CB 4.11Å; I113-I136 HydrophobicContact CD1-CD1 4.26Å; I113-I136 HydrophobicContact CD1-CG1 4.36Å; I113-I136 HydrophobicContact CG2-CD1 3.78Å; I113-Y147 HydrophobicContact CD1-CG 4.28Å; I113-F152 HydrophobicContact CD1-CE2 4.05Å; I113-F152 HydrophobicContact CD1-CZ 3.6Å; I113-F152 HydrophobicContact CG1-CE2 4.31Å; I113-F152 HydrophobicContact CG1-CZ 3.87Å; I113-F158 HydrophobicContact CD1-CE2 4.11Å; I113-F158 HydrophobicContact CD1-CZ 4.24Å; I113-F158 HydrophobicContact CG2-CE1 4.34Å; I113-F158 HydrophobicContact CG2-CZ 3.95Å
114	Q	97.2	Very high	93	Very high	38 Å²	38	44 Å²	44	18%	0.178	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	137.2	171.7	-172.7	-177.2	-1	0	0	108.9	L105 Y107 V116 T129 I131 R133	L105-Q114 HydrophobicContact CB-CB 4.31Å; L105-Q114 PolarHBondContact N-O 2.92Å; L105-Q114 PolarHBondContact O-N 3.36Å; Y107-Q114 HydrophobicContact CE2-CB 3.89Å; Y107-Q114 PolarHBondContact OH-OE1 3.4Å; Q114-V116 HydrophobicContact CG-CG2 3.83Å; Q114-T129 HydrophobicContact CG-CG2 4.22Å; Q114-I131 WeakPolarHBondContact CG-O 3.36Å; Q114-R133 HydrophobicContact CB-CB 4.15Å; Q114-R133 HydrophobicContact CG-CB 4.46Å
115	V	97.1	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	120.4	175	-175.8	0	0	0	0	108.8	C102 K103 I104 I113 I130 I131 F158 F165	C102-V115 HydrophobicContact CB-CG1 3.95Å; K103-V115 WeakPolarHBondContact O-CA 3.36Å; I104-V115 HydrophobicContact CG1-CG1 4.5Å; I104-V115 HydrophobicContact CG1-CG2 4.22Å; I104-V115 HydrophobicContact CG2-CG2 4.46Å; I113-V115 HydrophobicContact CG2-CG2 4.4Å; V115-I130 HydrophobicContact CB-CB 4.45Å; V115-I130 HydrophobicContact CG1-CB 4.28Å; V115-I130 HydrophobicContact CG1-CD1 4.18Å; V115-I130 PolarHBondContact O-N 2.82Å; V115-I131 HydrophobicContact CB-CB 3.96Å; V115-I131 HydrophobicContact CB-CD1 4.24Å; V115-I131 HydrophobicContact CB-CG1 4.07Å; V115-I131 HydrophobicContact CG2-CB 4.12Å; V115-I131 HydrophobicContact CG2-CD1 3.85Å; V115-I131 HydrophobicContact CG2-CG1 4.19Å; V115-I131 PolarHBondContact N-O 3.5Å; V115-I131 VanDerWaalsContact N-O 3.08Å; V115-I131 PolarHBondContact O-N 2.73Å; V115-I131 VanDerWaalsContact O-N 3.11Å; V115-F158 HydrophobicContact CG2-CE1 4.14Å; V115-F165 HydrophobicContact CG1-CD1 4.36Å; V115-F165 HydrophobicContact CG1-CE1 3.78Å; V115-F165 HydrophobicContact CG1-CZ 4.08Å
116	V	96.6	Very high	92.2	Very high	37 Å²	37	48.7 Å²	48.7	22%	0.224	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	127.3	-175.6	-175.4	0	0	0	0	110.1	C102 K103 L105 Q114	C102-V116 CarbonylContact C-O 3.58Å; C102-V116 WeakPolarHBondContact CA-O 3.49Å; K103-V116 PolarHBondContact N-O 3.31Å; K103-V116 PolarHBondContact O-N 2.93Å; L105-V116 HydrophobicContact CD1-CG2 4.37Å; Q114-V116 HydrophobicContact CG-CG2 3.83Å
117	E	95	Very high	92	Very high	5 Å²	5	50.8 Å²	50.8	2%	0.023	30%	0.298	C	S	.	.	P	Polyproline II helix	trans	-91.4	122.8	170.1	173.7	169.6	-159.1	0	0	110.4	R100 K101 Q127 G128 I130	R100-E117 IonicContact CZ-OE1 3.73Å; R100-E117 IonicContact CZ-OE2 3.03Å; R100-E117 VanDerWaalsContact CZ-OE2 3.24Å; R100-E117 IonicContact NE-OE1 2.73Å; R100-E117 PolarHBondContact NE-OE1 2.92Å; R100-E117 IonicContact NE-OE2 3.4Å; R100-E117 PolarHBondContact NE-OE2 3.44Å; R100-E117 VanDerWaalsContact NE-OE2 3.16Å; R100-E117 IonicContact NH2-OE1 3.27Å; R100-E117 IonicContact NH2-OE2 2.89Å; R100-E117 PolarHBondContact NH2-OE2 2.87Å; K101-E117 WeakPolarHBondContact O-CG 3.26Å; E117-Q127 HydrophobicContact CG-CG 4.41Å; E117-G128 PolarHBondContact N-O 2.85Å; E117-G128 WeakPolarHBondContact O-CA 3.39Å; E117-G128 PolarHBondContact O-N 3.21Å; E117-I130 HydrophobicContact CB-CD1 3.85Å; E117-I130 HydrophobicContact CB-CG1 4.11Å
118	P	93.7	Very high	91.8	Very high	59 Å²	59	49.7 Å²	49.7	38%	0.383	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-63.1	145.3	173	27.8	-33.7	0	0	0	110.7	K101 I120	K101-P118 WeakPolarHBondContact O-CD 3.4Å; P118-I120 PolarHBondContact O-N 2.81Å
119	R	92.7	Very high	91.8	Very high	216 Å²	216	53.6 Å²	53.6	82%	0.815	32%	0.322	S	S	*	.	P	Polyproline II helix	trans	-73.5	124.8	180	-67.1	-176.9	177	177.1	-0.6	110.8	Q127	R119-Q127 HydrophobicContact CG-CB 4.16Å
120	I	88.8	Confident	91.9	Very high	67 Å²	67	53.7 Å²	53.7	34%	0.344	32%	0.323	S	S	.	.			trans	-115.4	128.2	176.6	-58.1	171.7	0	0	0	107.4	P118 T123 Q127	P118-I120 PolarHBondContact O-N 2.81Å; I120-T123 HydrophobicContact CB-CG2 3.74Å; I120-T123 HydrophobicContact CG2-CG2 3.75Å; I120-T123 PolarHBondContact O-OG1 2.66Å; I120-Q127 PolarHBondContact O-NE2 3Å; I120-Q127 PolarHBondContact O-OE1 2.8Å
121	A	85.5	Confident	92	Very high	82 Å²	82	51 Å²	51	68%	0.678	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.3	148.9	178.5	0	0	0	0	0	111.4	T123	A121-T123 VanDerWaalsContact C-N 3.28Å; A121-T123 PolarHBondContact O-N 3.06Å
122	N	83.6	Confident	92.1	Very high	109 Å²	109	58.3 Å²	58.3	58%	0.583	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.5	18.3	168.4	-62.8	-35.1	0	0	0	117	Y196 R200	N122-Y196 PolarHBondContact O-OH 3.46Å; N122-R200 PolarHBondContact O-NH1 2.95Å
123	T	83.8	Confident	92.1	Very high	19 Å²	19	62.2 Å²	62.2	12%	0.117	35%	0.354	C	S	.	.			trans	-82.1	-27.1	176.1	59.5	0	0	0	0	113.9	I120 A121 M125 Q127	I120-T123 HydrophobicContact CB-CG2 3.74Å; I120-T123 HydrophobicContact CG2-CG2 3.75Å; I120-T123 PolarHBondContact O-OG1 2.66Å; A121-T123 VanDerWaalsContact C-N 3.28Å; A121-T123 PolarHBondContact O-N 3.06Å; T123-M125 HydrophobicContact CG2-CE 4.33Å; T123-M125 PolarHBondContact O-N 3.32Å; T123-M125 PolarHBondContact OG1-N 3.47Å; T123-Q127 PolarHBondContact OG1-NE2 3.14Å
124	G	84.6	Confident	92.1	Very high	86 Å²	86	64.5 Å²	64.5	89%	0.887	36%	0.364	S	S	*	.			trans	71.2	3.7	-176	0	0	0	0	0	115.2
125	M	87.4	Confident	91.9	Very high	39 Å²	39	66 Å²	66	19%	0.192	37%	0.368	C	S	.	.	S	Bend	trans	-95.6	152.9	179	-63.7	-177.7	-75.7	0	0	111.9	R98 R100 T123 Q127	R98-M125 WeakPolarHBondContact CD-SD 3.45Å; R98-M125 PolarHBondContact NH1-SD 2.59Å; R100-M125 HydrophobicContact CG-CE 4.37Å; R100-M125 HydrophobicContact CG-SD 4.49Å; T123-M125 HydrophobicContact CG2-CE 4.33Å; T123-M125 PolarHBondContact O-N 3.32Å; T123-M125 PolarHBondContact OG1-N 3.47Å; M125-Q127 PolarHBondContact O-N 3.13Å
126	A	90	Very high	91.8	Very high	94 Å²	94	66.1 Å²	66.1	78%	0.777	37%	0.369	S	S	*	.			trans	-66.6	114.9	165.5	0	0	0	0	0	109.5	R100	R100-A126 PolarHBondContact NH2-O 2.72Å
127	Q	91.2	Very high	91.7	Very high	44 Å²	44	66.3 Å²	66.3	21%	0.206	37%	0.372	C	S	.	.			trans	-113.3	161.5	-177.5	-69.5	170.5	-15.8	0	0	111.3	E117 R119 I120 T123 M125	E117-Q127 HydrophobicContact CG-CG 4.41Å; R119-Q127 HydrophobicContact CG-CB 4.16Å; I120-Q127 PolarHBondContact O-NE2 3Å; I120-Q127 PolarHBondContact O-OE1 2.8Å; T123-Q127 PolarHBondContact OG1-NE2 3.14Å; M125-Q127 PolarHBondContact O-N 3.13Å
128	G	93.4	Very high	91.6	Very high	15 Å²	15	68 Å²	68	16%	0.155	38%	0.379	C	S	.	.	S	Bend	trans	120.5	-140.3	-179.4	0	0	0	0	0	111	E117 I130	E117-G128 PolarHBondContact N-O 2.85Å; E117-G128 WeakPolarHBondContact O-CA 3.39Å; E117-G128 PolarHBondContact O-N 3.21Å; G128-I130 PolarHBondContact O-N 3.27Å; G128-I130 VanDerWaalsContact O-N 3.15Å
129	T	94.7	Very high	91.5	Very high	83 Å²	83	68.1 Å²	68.1	51%	0.509	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	112.3	-177.4	-50.2	0	0	0	0	111.1	Q114 I131	Q114-T129 HydrophobicContact CG-CG2 4.22Å; T129-I131 WeakPolarHBondContact CG2-O 3.43Å
130	I	93.7	Very high	91.4	Very high	48 Å²	48	63.4 Å²	63.4	25%	0.246	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.4	-45.9	175	-59.8	170.6	0	0	0	109.7	F85 C102 V115 E117 G128	F85-I130 HydrophobicContact CE1-CD1 3.57Å; F85-I130 HydrophobicContact CZ-CD1 4.19Å; C102-I130 HydrophobicContact CB-CD1 4.17Å; V115-I130 HydrophobicContact CB-CB 4.45Å; V115-I130 HydrophobicContact CG1-CB 4.28Å; V115-I130 HydrophobicContact CG1-CD1 4.18Å; V115-I130 PolarHBondContact O-N 2.82Å; E117-I130 HydrophobicContact CB-CD1 3.85Å; E117-I130 HydrophobicContact CB-CG1 4.11Å; G128-I130 PolarHBondContact O-N 3.27Å; G128-I130 VanDerWaalsContact O-N 3.15Å
131	I	95.4	Very high	91.4	Very high	12 Å²	12	65.3 Å²	65.3	6%	0.062	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126	119	179.5	-55.1	-179.7	0	0	0	107.8	Q114 V115 T129 H134 I136 A160 Y161 F165	Q114-I131 WeakPolarHBondContact CG-O 3.36Å; V115-I131 HydrophobicContact CB-CB 3.96Å; V115-I131 HydrophobicContact CB-CD1 4.24Å; V115-I131 HydrophobicContact CB-CG1 4.07Å; V115-I131 HydrophobicContact CG2-CB 4.12Å; V115-I131 HydrophobicContact CG2-CD1 3.85Å; V115-I131 HydrophobicContact CG2-CG1 4.19Å; V115-I131 PolarHBondContact N-O 3.5Å; V115-I131 VanDerWaalsContact N-O 3.08Å; V115-I131 PolarHBondContact O-N 2.73Å; V115-I131 VanDerWaalsContact O-N 3.11Å; T129-I131 WeakPolarHBondContact CG2-O 3.43Å; I131-H134 VanDerWaalsContact CG2-CE1 3.5Å; I131-H134 WeakPolarHBondContact CG2-CE1 3.41Å; I131-I136 HydrophobicContact CD1-CD1 4.43Å; I131-I136 HydrophobicContact CG2-CD1 3.92Å; I131-A160 HydrophobicContact CD1-CB 3.72Å; I131-Y161 HydrophobicContact CD1-CD2 4.08Å; I131-Y161 HydrophobicContact CG2-CD2 4.38Å; I131-Y161 HydrophobicContact CG2-CE2 4.12Å; I131-F165 HydrophobicContact CD1-CE2 4.12Å; I131-F165 HydrophobicContact CD1-CZ 4.2Å
132	K	96	Very high	91.6	Very high	158 Å²	158	64.9 Å²	64.9	69%	0.687	38%	0.378	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-61.3	154.6	174.8	65.5	179.1	-179.2	178.4	0	110.7	H134	K132-H134 PolarHBondContact O-CE1 3.47Å; K132-H134 PolarHBondContact O-N 2.94Å; K132-H134 PolarHBondContact O-ND1 2.96Å
133	R	96.8	Very high	91.8	Very high	96 Å²	96	65.8 Å²	65.8	36%	0.362	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.7	114.7	178.3	-176.8	178.7	168.6	177.5	-4.7	111.4	Y107 E109 D110 T112 I113 Q114	Y107-R133 HydrophobicContact CD2-CG 3.97Å; Y107-R133 HydrophobicContact CE2-CG 4.01Å; E109-R133 IonicContact OE1-CZ 2.69Å; E109-R133 IonicContact OE1-NH1 2.77Å; E109-R133 PolarHBondContact OE1-NH1 3.24Å; E109-R133 VanDerWaalsContact OE1-NH1 3.13Å; E109-R133 IonicContact OE1-NH2 2.81Å; E109-R133 PolarHBondContact OE1-NH2 2.94Å; D110-R133 IonicContact OD1-NH2 3.34Å; D110-R133 PolarHBondContact OD1-NH2 2.79Å; D110-R133 IonicContact OD2-CZ 2.82Å; D110-R133 IonicContact OD2-NE 2.84Å; D110-R133 IonicContact OD2-NH2 3.69Å; D110-R133 PolarHBondContact OD2-NH2 2.77Å; T112-R133 VanDerWaalsContact OG1-CG 3.3Å; T112-R133 WeakPolarHBondContact OG1-CG 3.5Å; T112-R133 PolarHBondContact OG1-NE 2.81Å; T112-R133 PolarHBondContact OG1-NH2 3.08Å; I113-R133 WeakPolarHBondContact O-CA 3.39Å; Q114-R133 HydrophobicContact CB-CB 4.15Å; Q114-R133 HydrophobicContact CG-CB 4.46Å
134	H	96	Very high	91.9	Very high	47 Å²	47	71.1 Å²	71.1	22%	0.218	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.5	172.3	170	63.9	-63.7	0	0	0	110.1	I113 I131 K132 Y161	I113-H134 PolarHBondContact N-O 2.83Å; I113-H134 PolarHBondContact O-N 3.11Å; I131-H134 VanDerWaalsContact CG2-CE1 3.5Å; I131-H134 WeakPolarHBondContact CG2-CE1 3.41Å; K132-H134 PolarHBondContact O-CE1 3.47Å; K132-H134 PolarHBondContact O-N 2.94Å; K132-H134 PolarHBondContact O-ND1 2.96Å; H134-Y161 AromaticContact CE1-CE2 3.74Å; H134-Y161 AromaticContact NE2-CE2 3.48Å; H134-Y161 WeakPolarHBondContact NE2-CE2 3.26Å; H134-Y161 AromaticContact NE2-CZ 3.43Å; H134-Y161 PolarHBondContact NE2-OH 2.86Å
135	R	94.7	Very high	92.3	Very high	71 Å²	71	69.1 Å²	69.1	27%	0.268	37%	0.37	S	S	.	.			trans	-75.2	130.7	174.7	-61.9	-176.4	69.8	-165.1	3.7	110	P56 T112 Y146	P56-R135 PolarHBondContact O-NH2 3.42Å; T112-R135 HydrophobicContact CG2-CG 3.98Å; R135-Y146 HydrophobicContact CB-CD1 3.7Å; R135-Y146 HydrophobicContact CB-CE1 4.08Å; R135-Y146 HydrophobicContact CB-CG 4.22Å
136	I	95	Very high	92.6	Very high	1 Å²	1	71.5 Å²	71.5	1%	0.005	38%	0.378	C	S	.	.			trans	-105.9	130.8	-176.8	-61.1	174.7	0	0	0	109.1	I113 I131 Y146 Y147 F158 A160 Y161	I113-I136 HydrophobicContact CB-CD1 3.71Å; I113-I136 HydrophobicContact CB-CG1 4.27Å; I113-I136 HydrophobicContact CD1-CB 4.11Å; I113-I136 HydrophobicContact CD1-CD1 4.26Å; I113-I136 HydrophobicContact CD1-CG1 4.36Å; I113-I136 HydrophobicContact CG2-CD1 3.78Å; I131-I136 HydrophobicContact CD1-CD1 4.43Å; I131-I136 HydrophobicContact CG2-CD1 3.92Å; I136-Y146 WeakPolarHBondContact O-CA 3.49Å; I136-Y147 HydrophobicContact CB-CD2 4.18Å; I136-Y147 HydrophobicContact CG2-CD2 3.96Å; I136-Y147 HydrophobicContact CG2-CE2 4.12Å; I136-Y147 WeakPolarHBondContact O-CD2 3.44Å; I136-Y147 PolarHBondContact O-N 2.92Å; I136-F158 HydrophobicContact CD1-CZ 3.83Å; I136-F158 HydrophobicContact CG2-CZ 4.45Å; I136-A160 HydrophobicContact CD1-CB 4.18Å; I136-A160 HydrophobicContact CG2-CB 3.8Å; I136-Y161 HydrophobicContact CG1-CE2 4.41Å
137	S	93.7	Very high	92.8	Very high	42 Å²	42	67.8 Å²	67.8	29%	0.294	34%	0.344	S	S	.	.	B	Isolated β-bridge	trans	-73.3	149.6	176.7	50.8	0	0	0	0	111.3	L145 Y147	S137-L145 CarbonylContact C-O 3.39Å; S137-L145 WeakPolarHBondContact CA-O 3.47Å; S137-Y147 WeakPolarHBondContact O-CE2 3.27Å
138	K	93	Very high	92.9	Very high	40 Å²	40	66.7 Å²	66.7	17%	0.174	34%	0.34	C	S	.	.	P	Polyproline II helix	trans	-70.6	155.6	174.8	-63.6	-168.1	-174.3	-162.1	0	110.1	N142 E143 L145 Y146 Y147 D151	K138-N142 HydrophobicContact CB-CB 4.05Å; K138-N142 HydrophobicContact CD-CB 4.47Å; K138-E143 WeakPolarHBondContact O-CA 3.44Å; K138-L145 HydrophobicContact CD-CB 4.13Å; K138-L145 HydrophobicContact CG-CB 4.36Å; K138-L145 PolarHBondContact N-O 3.09Å; K138-Y146 WeakPolarHBondContact CE-O 3.47Å; K138-Y147 HydrophobicContact CG-CD1 4.5Å; K138-Y147 HydrophobicContact CG-CD2 4.37Å; K138-Y147 HydrophobicContact CG-CE2 4.5Å; K138-Y147 HydrophobicContact CG-CG 4.39Å; K138-D151 WeakPolarHBondContact CE-OD2 3.38Å; K138-D151 IonicContact NZ-OD1 2.87Å; K138-D151 PolarHBondContact NZ-OD1 3.06Å; K138-D151 IonicContact NZ-OD2 2.79Å; K138-D151 PolarHBondContact NZ-OD2 3.14Å
139	P	91.7	Very high	92.9	Very high	61 Å²	61	66 Å²	66	40%	0.396	33%	0.333	S	S	.	.	P	Polyproline II helix	trans	-64.7	160.6	175.1	26.8	-35.4	0	0	0	112.2	N142 Y147 V159	P139-N142 PolarHBondContact O-N 3.04Å; P139-Y147 WeakPolarHBondContact CD-OH 3.35Å; P139-V159 HydrophobicContact CG-CB 4.37Å
140	V	90.5	Very high	92.8	Very high	118 Å²	118	66.8 Å²	66.8	72%	0.715	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.5	130.1	170.4	-179.1	0	0	0	0	108.7
141	P	88.9	Confident	92.7	Very high	107 Å²	107	67.1 Å²	67.1	70%	0.695	33%	0.333	S	S	*	.	T	Hydrogen-bonded Turn	cis	-90.3	-2.4	16.4	35	-36.3	0	0	0	116.5	E143	P141-E143 PolarHBondContact O-N 3.19Å
142	N	88.6	Confident	92.7	Very high	72 Å²	72	66.7 Å²	66.7	39%	0.385	33%	0.331	S	S	.	.			trans	-97.7	29.6	-170.5	-69.1	-27.4	0	0	0	113.9	K138 P139 H144 L145	K138-N142 HydrophobicContact CB-CB 4.05Å; K138-N142 HydrophobicContact CD-CB 4.47Å; P139-N142 PolarHBondContact O-N 3.04Å; N142-H144 PolarHBondContact O-N 3.43Å; N142-L145 HydrophobicContact CB-CD1 4.27Å; N142-L145 PolarHBondContact O-N 3.01Å
143	E	88.3	Confident	92.6	Very high	129 Å²	129	60.8 Å²	60.8	60%	0.603	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.9	-24.7	-174.7	-170.9	178	-178.5	0	0	114.1	K138 P141 L145	K138-E143 WeakPolarHBondContact O-CA 3.44Å; P141-E143 PolarHBondContact O-N 3.19Å; E143-L145 PolarHBondContact O-N 3.39Å
144	H	87	Confident	92.5	Very high	131 Å²	131	56.6 Å²	56.6	61%	0.606	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-8.7	175.4	62.9	-80.9	0	0	0	114	A55 N142	A55-H144 WeakPolarHBondContact CB-O 3.39Å; N142-H144 PolarHBondContact O-N 3.43Å
145	L	91.9	Very high	92.4	Very high	43 Å²	43	55.4 Å²	55.4	23%	0.225	29%	0.292	C	S	.	.	S	Bend	trans	-108.6	151.6	178.8	-57.1	177	0	0	0	110.7	P56 S137 K138 N142 E143	P56-L145 HydrophobicContact CG-CD2 4.37Å; S137-L145 CarbonylContact C-O 3.39Å; S137-L145 WeakPolarHBondContact CA-O 3.47Å; K138-L145 HydrophobicContact CD-CB 4.13Å; K138-L145 HydrophobicContact CG-CB 4.36Å; K138-L145 PolarHBondContact N-O 3.09Å; N142-L145 HydrophobicContact CB-CD1 4.27Å; N142-L145 PolarHBondContact O-N 3.01Å; E143-L145 PolarHBondContact O-N 3.39Å
146	Y	94.2	Very high	92.4	Very high	89 Å²	89	54.3 Å²	54.3	35%	0.349	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-98.3	157.2	170.5	-63.4	-81.6	0	0	0	110.8	A55 R135 I136 K138	A55-Y146 HydrophobicContact CB-CD2 3.47Å; A55-Y146 VanDerWaalsContact CB-CD2 3.47Å; A55-Y146 HydrophobicContact CB-CE2 3.76Å; R135-Y146 HydrophobicContact CB-CD1 3.7Å; R135-Y146 HydrophobicContact CB-CE1 4.08Å; R135-Y146 HydrophobicContact CB-CG 4.22Å; I136-Y146 WeakPolarHBondContact O-CA 3.49Å; K138-Y146 WeakPolarHBondContact CE-O 3.47Å
147	Y	94.6	Very high	92.4	Very high	16 Å²	16	59.9 Å²	59.9	6%	0.063	32%	0.32	C	S	.	.			trans	-60.6	140.4	167.8	-79.2	-82.1	0	0	0	111.1	I113 I136 S137 K138 P139 D151 F158 V159	I113-Y147 HydrophobicContact CD1-CG 4.28Å; I136-Y147 HydrophobicContact CB-CD2 4.18Å; I136-Y147 HydrophobicContact CG2-CD2 3.96Å; I136-Y147 HydrophobicContact CG2-CE2 4.12Å; I136-Y147 WeakPolarHBondContact O-CD2 3.44Å; I136-Y147 PolarHBondContact O-N 2.92Å; S137-Y147 WeakPolarHBondContact O-CE2 3.27Å; K138-Y147 HydrophobicContact CG-CD1 4.5Å; K138-Y147 HydrophobicContact CG-CD2 4.37Å; K138-Y147 HydrophobicContact CG-CE2 4.5Å; K138-Y147 HydrophobicContact CG-CG 4.39Å; P139-Y147 WeakPolarHBondContact CD-OH 3.35Å; Y147-D151 HydrophobicContact CD1-CB 3.66Å; Y147-D151 HydrophobicContact CE1-CB 4.28Å; Y147-F158 AromaticContact CD1-CD2 4Å; Y147-F158 HydrophobicContact CD1-CD2 4Å; Y147-F158 AromaticContact CD1-CE2 3.96Å; Y147-F158 HydrophobicContact CD1-CE2 3.96Å; Y147-F158 HydrophobicContact CD2-CD2 4.37Å; Y147-F158 AromaticContact CD2-CE2 3.63Å; Y147-F158 HydrophobicContact CD2-CE2 3.63Å; Y147-F158 AromaticContact CE1-CD2 3.71Å; Y147-F158 HydrophobicContact CE1-CD2 3.71Å; Y147-F158 AromaticContact CE1-CE2 3.95Å; Y147-F158 HydrophobicContact CE1-CE2 3.95Å; Y147-F158 HydrophobicContact CE2-CD2 4.08Å; Y147-F158 AromaticContact CE2-CE2 3.59Å; Y147-F158 HydrophobicContact CE2-CE2 3.59Å; Y147-F158 HydrophobicContact CE2-CZ 4.48Å; Y147-F158 HydrophobicContact CG-CD2 4.32Å; Y147-F158 AromaticContact CG-CE2 3.81Å; Y147-F158 HydrophobicContact CG-CE2 3.81Å; Y147-F158 AromaticContact CZ-CD2 3.73Å; Y147-F158 AromaticContact CZ-CE2 3.75Å; Y147-V159 VanDerWaalsContact CE2-O 3.26Å; Y147-V159 WeakPolarHBondContact CE2-O 3.32Å; Y147-V159 PolarHBondContact OH-N 2.85Å; Y147-V159 PolarHBondContact OH-O 3.05Å
148	T	93.5	Very high	92.4	Very high	21 Å²	21	58 Å²	58	13%	0.129	31%	0.306	C	S	.	.			trans	-121.1	168.3	178.7	62.7	0	0	0	0	109.9	S58 H150 D151 F152	S58-T148 WeakPolarHBondContact OG-CA 3.06Å; T148-H150 PolarHBondContact O-N 3.24Å; T148-H150 VanDerWaalsContact O-N 3.1Å; T148-D151 PolarHBondContact N-OD2 3.02Å; T148-D151 WeakPolarHBondContact O-CB 3.4Å; T148-D151 PolarHBondContact O-N 3.43Å; T148-D151 PolarHBondContact OG1-OD2 3.29Å; T148-F152 WeakPolarHBondContact O-CD2 3.45Å
149	V	92.8	Very high	92.5	Very high	2 Å²	2	58 Å²	58	1%	0.012	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-54.8	-31.7	178.8	69.7	0	0	0	0	113.2	S58 Y60 L79 F106 D151 F152 F177 L178 L181	S58-V149 PolarHBondContact OG-N 3.31Å; Y60-V149 HydrophobicContact CE1-CG1 4.03Å; L79-V149 HydrophobicContact CD1-CG2 3.8Å; F106-V149 HydrophobicContact CD1-CG2 4.45Å; F106-V149 HydrophobicContact CE1-CB 3.77Å; F106-V149 HydrophobicContact CE1-CG2 4.01Å; F106-V149 HydrophobicContact CZ-CB 3.94Å; V149-D151 VanDerWaalsContact C-N 3.26Å; V149-D151 PolarHBondContact O-N 3.07Å; V149-F152 PolarHBondContact O-N 3.27Å; V149-F177 HydrophobicContact CG2-CE1 4.32Å; V149-L178 HydrophobicContact CG2-CD2 4.3Å; V149-L181 HydrophobicContact CG1-CD1 4.13Å; V149-L181 HydrophobicContact CG2-CD1 3.77Å
150	H	92	Very high	92.6	Very high	98 Å²	98	55.2 Å²	55.2	45%	0.454	29%	0.291	S	S	.	.	G	3₁₀ helix	trans	-75.3	-13.8	-177.8	-61	-63.2	0	0	0	113.6	V59 T148 F152	V59-H150 PolarHBondContact O-NE2 2.82Å; T148-H150 PolarHBondContact O-N 3.24Å; T148-H150 VanDerWaalsContact O-N 3.1Å; H150-F152 VanDerWaalsContact C-N 3.29Å
151	D	92.7	Very high	92.7	Very high	55 Å²	55	56.8 Å²	56.8	29%	0.294	29%	0.285	S	S	.	.	G	3₁₀ helix	trans	-82.4	-7.1	178.2	-61.8	-64.2	0	0	0	112.7	K138 Y147 T148 V149	K138-D151 WeakPolarHBondContact CE-OD2 3.38Å; K138-D151 IonicContact NZ-OD1 2.87Å; K138-D151 PolarHBondContact NZ-OD1 3.06Å; K138-D151 IonicContact NZ-OD2 2.79Å; K138-D151 PolarHBondContact NZ-OD2 3.14Å; Y147-D151 HydrophobicContact CD1-CB 3.66Å; Y147-D151 HydrophobicContact CE1-CB 4.28Å; T148-D151 PolarHBondContact N-OD2 3.02Å; T148-D151 WeakPolarHBondContact O-CB 3.4Å; T148-D151 PolarHBondContact O-N 3.43Å; T148-D151 PolarHBondContact OG1-OD2 3.29Å; V149-D151 VanDerWaalsContact C-N 3.26Å; V149-D151 PolarHBondContact O-N 3.07Å
152	F	94.4	Very high	92.7	Very high	3 Å²	3	55.4 Å²	55.4	1%	0.013	29%	0.291	C	S	.	.			trans	-106.2	122.1	-178.5	-65.1	-85.1	0	0	0	111.8	F81 I104 F106 I113 T148 V149 H150 F158 I167	F81-F152 HydrophobicContact CD2-CD1 4.47Å; F81-F152 HydrophobicContact CE1-CB 4.23Å; F81-F152 HydrophobicContact CE2-CB 3.89Å; F81-F152 HydrophobicContact CE2-CD1 4.33Å; F81-F152 HydrophobicContact CE2-CG 4.18Å; F81-F152 HydrophobicContact CZ-CB 3.64Å; F81-F152 HydrophobicContact CZ-CG 4.43Å; I104-F152 HydrophobicContact CG2-CE1 3.88Å; F106-F152 HydrophobicContact CD2-CD2 4.06Å; F106-F152 AromaticContact CD2-CE2 3.52Å; F106-F152 HydrophobicContact CD2-CE2 3.52Å; F106-F152 HydrophobicContact CD2-CZ 4.22Å; F106-F152 AromaticContact CE2-CE2 4Å; F106-F152 HydrophobicContact CE2-CE2 4Å; F106-F152 HydrophobicContact CG-CD2 4.48Å; F106-F152 HydrophobicContact CG-CE2 4.29Å; I113-F152 HydrophobicContact CD1-CE2 4.05Å; I113-F152 HydrophobicContact CD1-CZ 3.6Å; I113-F152 HydrophobicContact CG1-CE2 4.31Å; I113-F152 HydrophobicContact CG1-CZ 3.87Å; T148-F152 WeakPolarHBondContact O-CD2 3.45Å; V149-F152 PolarHBondContact O-N 3.27Å; H150-F152 VanDerWaalsContact C-N 3.29Å; F152-F158 HydrophobicContact CE1-CB 4.4Å; F152-F158 AromaticContact CE1-CD2 3.53Å; F152-F158 HydrophobicContact CE1-CD2 3.53Å; F152-F158 AromaticContact CE1-CE2 3.88Å; F152-F158 HydrophobicContact CE1-CE2 3.88Å; F152-F158 AromaticContact CE1-CG 3.92Å; F152-F158 HydrophobicContact CE1-CG 3.92Å; F152-F158 AromaticContact CZ-CD2 3.79Å; F152-F158 HydrophobicContact CZ-CD2 3.79Å; F152-F158 AromaticContact CZ-CE2 3.72Å; F152-F158 HydrophobicContact CZ-CE2 3.72Å; F152-F158 HydrophobicContact CZ-CZ 4.45Å; F152-I167 HydrophobicContact CD1-CD1 3.82Å
153	N	94.8	Very high	92.9	Very high	34 Å²	34	55.5 Å²	55.5	18%	0.182	29%	0.287	C	S	.	.			trans	-146	165.1	169.3	-158.9	-5.3	0	0	0	110.8	T156 I167 T184 L185 G186	N153-T156 HydrophobicContact CB-CG2 3.9Å; N153-T156 PolarHBondContact N-OG1 2.84Å; N153-T156 PolarHBondContact O-OG1 3.02Å; N153-I167 WeakPolarHBondContact O-CB 3.27Å; N153-I167 VanDerWaalsContact O-CG2 3.32Å; N153-I167 WeakPolarHBondContact O-CG2 3.25Å; N153-T184 PolarHBondContact ND2-O 2.98Å; N153-L185 WeakPolarHBondContact OD1-CA 3.48Å; N153-G186 PolarHBondContact OD1-N 3.5Å
154	V	95	Very high	93.2	Very high	9 Å²	9	52.9 Å²	52.9	6%	0.055	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.1	131	171.8	178.2	0	0	0	0	109	V168 C170 L185 G186 K187	V154-V168 VanDerWaalsContact CG1-O 3.26Å; V154-V168 WeakPolarHBondContact CG1-O 3.37Å; V154-C170 HydrophobicContact CG2-CB 4.12Å; V154-L185 HydrophobicContact CG2-CD2 4.3Å; V154-G186 WeakPolarHBondContact O-CA 3.43Å; V154-K187 WeakPolarHBondContact CG1-O 3.4Å
155	G	93	Very high	93.7	Very high	21 Å²	21	46.7 Å²	46.7	22%	0.216	25%	0.252	C	S	.	.	T	Hydrogen-bonded Turn	trans	86.1	7.3	-176.5	0	0	0	0	0	114.7	R166 I167	G155-R166 PolarHBondContact O-NH1 2.86Å; G155-R166 VanDerWaalsContact O-NH1 3.14Å; G155-R166 PolarHBondContact O-NH2 2.8Å; G155-I167 WeakPolarHBondContact CA-O 3.39Å; G155-I167 PolarHBondContact N-O 2.86Å
156	T	94	Very high	93.9	Very high	48 Å²	48	47.4 Å²	47.4	29%	0.294	25%	0.252	S	S	.	.			trans	-103.7	161	175	60	0	0	0	0	112.1	N153 I167	N153-T156 HydrophobicContact CB-CG2 3.9Å; N153-T156 PolarHBondContact N-OG1 2.84Å; N153-T156 PolarHBondContact O-OG1 3.02Å; T156-I167 WeakPolarHBondContact O-CB 3.44Å; T156-I167 PolarHBondContact O-N 2.88Å
157	E	95.1	Very high	94	Very high	119 Å²	119	43.2 Å²	43.2	56%	0.556	24%	0.235	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-101.3	128.6	177	-70	170.6	-164.9	0	0	110.7	F165 R166	E157-F165 CarbonylContact C-O 3.58Å; E157-F165 WeakPolarHBondContact CA-O 3.49Å; E157-R166 IonicContact OE1-NH1 3.54Å; E157-R166 PolarHBondContact OE1-NH1 2.79Å
158	F	94.5	Very high	94.1	Very high	2 Å²	2	42.6 Å²	42.6	1%	0.009	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	119.5	174.6	168.1	-110.2	0	0	0	108.9	I104 I113 V115 I136 Y147 F152 A160 F165 I167	I104-F158 HydrophobicContact CD1-CB 4.13Å; I104-F158 HydrophobicContact CD1-CD1 3.64Å; I104-F158 HydrophobicContact CD1-CE1 4.45Å; I104-F158 HydrophobicContact CD1-CG 4.15Å; I104-F158 HydrophobicContact CG1-CD1 4.44Å; I113-F158 HydrophobicContact CD1-CE2 4.11Å; I113-F158 HydrophobicContact CD1-CZ 4.24Å; I113-F158 HydrophobicContact CG2-CE1 4.34Å; I113-F158 HydrophobicContact CG2-CZ 3.95Å; V115-F158 HydrophobicContact CG2-CE1 4.14Å; I136-F158 HydrophobicContact CD1-CZ 3.83Å; I136-F158 HydrophobicContact CG2-CZ 4.45Å; Y147-F158 AromaticContact CD1-CD2 4Å; Y147-F158 HydrophobicContact CD1-CD2 4Å; Y147-F158 AromaticContact CD1-CE2 3.96Å; Y147-F158 HydrophobicContact CD1-CE2 3.96Å; Y147-F158 HydrophobicContact CD2-CD2 4.37Å; Y147-F158 AromaticContact CD2-CE2 3.63Å; Y147-F158 HydrophobicContact CD2-CE2 3.63Å; Y147-F158 AromaticContact CE1-CD2 3.71Å; Y147-F158 HydrophobicContact CE1-CD2 3.71Å; Y147-F158 AromaticContact CE1-CE2 3.95Å; Y147-F158 HydrophobicContact CE1-CE2 3.95Å; Y147-F158 HydrophobicContact CE2-CD2 4.08Å; Y147-F158 AromaticContact CE2-CE2 3.59Å; Y147-F158 HydrophobicContact CE2-CE2 3.59Å; Y147-F158 HydrophobicContact CE2-CZ 4.48Å; Y147-F158 HydrophobicContact CG-CD2 4.32Å; Y147-F158 AromaticContact CG-CE2 3.81Å; Y147-F158 HydrophobicContact CG-CE2 3.81Å; Y147-F158 AromaticContact CZ-CD2 3.73Å; Y147-F158 AromaticContact CZ-CE2 3.75Å; F152-F158 HydrophobicContact CE1-CB 4.4Å; F152-F158 AromaticContact CE1-CD2 3.53Å; F152-F158 HydrophobicContact CE1-CD2 3.53Å; F152-F158 AromaticContact CE1-CE2 3.88Å; F152-F158 HydrophobicContact CE1-CE2 3.88Å; F152-F158 AromaticContact CE1-CG 3.92Å; F152-F158 HydrophobicContact CE1-CG 3.92Å; F152-F158 AromaticContact CZ-CD2 3.79Å; F152-F158 HydrophobicContact CZ-CD2 3.79Å; F152-F158 AromaticContact CZ-CE2 3.72Å; F152-F158 HydrophobicContact CZ-CE2 3.72Å; F152-F158 HydrophobicContact CZ-CZ 4.45Å; F158-A160 HydrophobicContact CD1-CB 4.47Å; F158-A160 HydrophobicContact CE1-CB 3.61Å; F158-A160 HydrophobicContact CE2-CB 4.46Å; F158-A160 HydrophobicContact CZ-CB 3.6Å; F158-F165 HydrophobicContact CB-CB 4.33Å; F158-F165 HydrophobicContact CD1-CB 4.11Å; F158-F165 AromaticContact CD1-CD2 3.6Å; F158-F165 HydrophobicContact CD1-CD2 3.6Å; F158-F165 HydrophobicContact CD1-CE2 4.4Å; F158-F165 HydrophobicContact CD1-CG 4.13Å; F158-F165 HydrophobicContact CE1-CD2 4.01Å; F158-F165 HydrophobicContact CE1-CE2 4.37Å; F158-F165 PolarHBondContact N-O 3.4Å; F158-F165 WeakPolarHBondContact O-CB 3.21Å; F158-F165 WeakPolarHBondContact O-CD2 3.26Å; F158-F165 PolarHBondContact O-N 2.94Å; F158-I167 HydrophobicContact CB-CD1 4.24Å
159	V	95	Very high	94.2	Very high	40 Å²	40	43.1 Å²	43.1	24%	0.242	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	116.3	-177.4	-174.4	0	0	0	0	110.2	P139 Y147 K163 T164	P139-V159 HydrophobicContact CG-CB 4.37Å; Y147-V159 VanDerWaalsContact CE2-O 3.26Å; Y147-V159 WeakPolarHBondContact CE2-O 3.32Å; Y147-V159 PolarHBondContact OH-N 2.85Å; Y147-V159 PolarHBondContact OH-O 3.05Å; V159-K163 WeakPolarHBondContact CA-O 3.46Å; V159-T164 HydrophobicContact CG1-CG2 4.33Å; V159-T164 HydrophobicContact CG2-CG2 3.83Å
160	A	93.2	Very high	94.3	Very high	2 Å²	2	44.4 Å²	44.4	2%	0.017	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.5	129.3	177.5	0	0	0	0	0	111	I131 I136 F158 G162 K163 F165	I131-A160 HydrophobicContact CD1-CB 3.72Å; I136-A160 HydrophobicContact CD1-CB 4.18Å; I136-A160 HydrophobicContact CG2-CB 3.8Å; F158-A160 HydrophobicContact CD1-CB 4.47Å; F158-A160 HydrophobicContact CE1-CB 3.61Å; F158-A160 HydrophobicContact CE2-CB 4.46Å; F158-A160 HydrophobicContact CZ-CB 3.6Å; A160-G162 VanDerWaalsContact C-N 3.25Å; A160-G162 PolarHBondContact O-N 2.89Å; A160-K163 PolarHBondContact N-O 2.85Å; A160-K163 PolarHBondContact O-N 3.12Å; A160-F165 HydrophobicContact CB-CE2 4.22Å
161	Y	92.6	Very high	94.4	Very high	151 Å²	151	44.1 Å²	44.1	59%	0.592	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	49.9	43.2	177	-59.4	-61.7	0	0	0	114	I131 H134 I136 K163	I131-Y161 HydrophobicContact CD1-CD2 4.08Å; I131-Y161 HydrophobicContact CG2-CD2 4.38Å; I131-Y161 HydrophobicContact CG2-CE2 4.12Å; H134-Y161 AromaticContact CE1-CE2 3.74Å; H134-Y161 AromaticContact NE2-CE2 3.48Å; H134-Y161 WeakPolarHBondContact NE2-CE2 3.26Å; H134-Y161 AromaticContact NE2-CZ 3.43Å; H134-Y161 PolarHBondContact NE2-OH 2.86Å; I136-Y161 HydrophobicContact CG1-CE2 4.41Å; Y161-K163 PolarHBondContact O-N 2.81Å
162	G	89.7	Confident	94.6	Very high	78 Å²	78	47.3 Å²	47.3	80%	0.804	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	76.9	-0.5	-179.5	0	0	0	0	0	115.2	A160	A160-G162 VanDerWaalsContact C-N 3.25Å; A160-G162 PolarHBondContact O-N 2.89Å
163	K	92.7	Very high	94.7	Very high	74 Å²	74	51.2 Å²	51.2	32%	0.322	28%	0.279	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	130.7	174.7	-63.9	-173.6	176.7	-171.4	0	110.9	F85 V159 A160 Y161 F165	F85-K163 HydrophobicContact CD2-CD 4.48Å; F85-K163 HydrophobicContact CE2-CD 4.29Å; V159-K163 WeakPolarHBondContact CA-O 3.46Å; A160-K163 PolarHBondContact N-O 2.85Å; A160-K163 PolarHBondContact O-N 3.12Å; Y161-K163 PolarHBondContact O-N 2.81Å; K163-F165 HydrophobicContact CB-CD2 4.38Å; K163-F165 HydrophobicContact CB-CE2 3.65Å; K163-F165 HydrophobicContact CB-CZ 3.83Å; K163-F165 HydrophobicContact CD-CZ 4.18Å
164	T	95.5	Very high	94.7	Very high	75 Å²	75	49.7 Å²	49.7	46%	0.46	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.1	111.3	176.3	50.2	0	0	0	0	109.5	F85 V159	F85-T164 VanDerWaalsContact CB-O 3.26Å; F85-T164 WeakPolarHBondContact CB-O 3.49Å; V159-T164 HydrophobicContact CG1-CG2 4.33Å; V159-T164 HydrophobicContact CG2-CG2 3.83Å
165	F	96.6	Very high	94.7	Very high	0 Å²	0	49.8 Å²	49.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	119.3	177.9	-58.1	-88.8	0	0	0	109.7	A83 Y84 F85 C102 I104 V115 I131 E157 F158 A160 K163	A83-F165 HydrophobicContact CB-CB 4.37Å; Y84-F165 CarbonylContact O-C 3.51Å; Y84-F165 WeakPolarHBondContact O-CA 3.35Å; F85-F165 HydrophobicContact CB-CD1 3.82Å; F85-F165 HydrophobicContact CB-CE1 4.14Å; F85-F165 HydrophobicContact CB-CG 4.42Å; F85-F165 AromaticContact CD1-CD1 3.68Å; F85-F165 HydrophobicContact CD1-CD1 3.68Å; F85-F165 AromaticContact CD1-CE1 3.36Å; F85-F165 HydrophobicContact CD1-CE1 3.36Å; F85-F165 HydrophobicContact CD1-CZ 4.4Å; F85-F165 AromaticContact CE1-CE1 3.94Å; F85-F165 HydrophobicContact CE1-CE1 3.94Å; F85-F165 HydrophobicContact CG-CD1 4.08Å; F85-F165 AromaticContact CG-CE1 3.92Å; F85-F165 HydrophobicContact CG-CE1 3.92Å; C102-F165 WeakPolarHBondContact SG-CD1 3.09Å; I104-F165 HydrophobicContact CD1-CB 3.94Å; I104-F165 HydrophobicContact CD1-CG 4.47Å; V115-F165 HydrophobicContact CG1-CD1 4.36Å; V115-F165 HydrophobicContact CG1-CE1 3.78Å; V115-F165 HydrophobicContact CG1-CZ 4.08Å; I131-F165 HydrophobicContact CD1-CE2 4.12Å; I131-F165 HydrophobicContact CD1-CZ 4.2Å; E157-F165 CarbonylContact C-O 3.58Å; E157-F165 WeakPolarHBondContact CA-O 3.49Å; F158-F165 HydrophobicContact CB-CB 4.33Å; F158-F165 HydrophobicContact CD1-CB 4.11Å; F158-F165 AromaticContact CD1-CD2 3.6Å; F158-F165 HydrophobicContact CD1-CD2 3.6Å; F158-F165 HydrophobicContact CD1-CE2 4.4Å; F158-F165 HydrophobicContact CD1-CG 4.13Å; F158-F165 HydrophobicContact CE1-CD2 4.01Å; F158-F165 HydrophobicContact CE1-CE2 4.37Å; F158-F165 PolarHBondContact N-O 3.4Å; F158-F165 WeakPolarHBondContact O-CB 3.21Å; F158-F165 WeakPolarHBondContact O-CD2 3.26Å; F158-F165 PolarHBondContact O-N 2.94Å; A160-F165 HydrophobicContact CB-CE2 4.22Å; K163-F165 HydrophobicContact CB-CD2 4.38Å; K163-F165 HydrophobicContact CB-CE2 3.65Å; K163-F165 HydrophobicContact CB-CZ 3.83Å; K163-F165 HydrophobicContact CD-CZ 4.18Å
166	R	96.5	Very high	94.8	Very high	59 Å²	59	52.3 Å²	52.3	22%	0.223	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	119.7	173.1	-179	67.2	174	-170.9	7.9	109.1	A83 Y84 G155 E157 V168 E189	A83-R166 CarbonylContact C-O 3.57Å; A83-R166 WeakPolarHBondContact CA-O 3.43Å; A83-R166 WeakPolarHBondContact CB-O 3.27Å; Y84-R166 HydrophobicContact CD1-CB 4.05Å; Y84-R166 HydrophobicContact CD1-CG 4.41Å; Y84-R166 HydrophobicContact CE1-CB 3.58Å; Y84-R166 HydrophobicContact CE1-CG 3.6Å; Y84-R166 HydrophobicContact CE2-CB 4.4Å; Y84-R166 PolarHBondContact N-O 2.83Å; Y84-R166 PolarHBondContact O-N 3.15Å; G155-R166 PolarHBondContact O-NH1 2.86Å; G155-R166 VanDerWaalsContact O-NH1 3.14Å; G155-R166 PolarHBondContact O-NH2 2.8Å; E157-R166 IonicContact OE1-NH1 3.54Å; E157-R166 PolarHBondContact OE1-NH1 2.79Å; R166-V168 HydrophobicContact CG-CG2 4.22Å; R166-E189 IonicContact CZ-OE1 2.66Å; R166-E189 IonicContact CZ-OE2 3.06Å; R166-E189 IonicContact NE-OE1 3.67Å; R166-E189 IonicContact NE-OE2 3.69Å; R166-E189 PolarHBondContact NE-OE2 3.28Å; R166-E189 IonicContact NH2-OE1 3.13Å; R166-E189 PolarHBondContact NH2-OE1 3.01Å; R166-E189 IonicContact NH2-OE2 3.8Å; R166-E189 PolarHBondContact NH2-OE2 3.06Å
167	I	97	Very high	94.8	Very high	1 Å²	1	51.2 Å²	51.2	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83	122.8	176.2	-59.5	170.8	0	0	0	109	F81 A83 I104 F152 N153 G155 T156 F158	F81-I167 HydrophobicContact CB-CG2 3.92Å; F81-I167 HydrophobicContact CD1-CG2 3.88Å; F81-I167 HydrophobicContact CG-CG2 4.25Å; A83-I167 HydrophobicContact CB-CG1 4.48Å; I104-I167 HydrophobicContact CD1-CD1 4.42Å; I104-I167 HydrophobicContact CD1-CG1 3.99Å; F152-I167 HydrophobicContact CD1-CD1 3.82Å; N153-I167 WeakPolarHBondContact O-CB 3.27Å; N153-I167 VanDerWaalsContact O-CG2 3.32Å; N153-I167 WeakPolarHBondContact O-CG2 3.25Å; G155-I167 WeakPolarHBondContact CA-O 3.39Å; G155-I167 PolarHBondContact N-O 2.86Å; T156-I167 WeakPolarHBondContact O-CB 3.44Å; T156-I167 PolarHBondContact O-N 2.88Å; F158-I167 HydrophobicContact CB-CD1 4.24Å
168	V	96.2	Very high	94.8	Very high	2 Å²	2	45.5 Å²	45.5	1%	0.012	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	-40.2	-168.1	173.1	0	0	0	0	112.1	D82 Y84 V154 R166 P188 E189 I191	D82-V168 PolarHBondContact O-N 2.61Å; Y84-V168 HydrophobicContact CD1-CG2 3.46Å; Y84-V168 VanDerWaalsContact CD1-CG2 3.46Å; Y84-V168 HydrophobicContact CE1-CG2 3.48Å; Y84-V168 VanDerWaalsContact CE1-CG2 3.48Å; V154-V168 VanDerWaalsContact CG1-O 3.26Å; V154-V168 WeakPolarHBondContact CG1-O 3.37Å; R166-V168 HydrophobicContact CG-CG2 4.22Å; V168-P188 WeakPolarHBondContact O-CA 3.38Å; V168-E189 HydrophobicContact CG1-CB 3.87Å; V168-E189 WeakPolarHBondContact CG1-O 3.36Å; V168-E189 PolarHBondContact O-N 3.25Å; V168-I191 HydrophobicContact CB-CG1 4.16Å; V168-I191 HydrophobicContact CG1-CG1 3.86Å; V168-I191 HydrophobicContact CG2-CG1 4.17Å
169	S	95.8	Very high	94.7	Very high	33 Å²	33	53.4 Å²	53.4	23%	0.231	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.9	171.2	176.4	52.6	0	0	0	0	110.6	F81 D82	F81-S169 CarbonylContact C-O 3.54Å; F81-S169 WeakPolarHBondContact CA-O 3.4Å; D82-S169 WeakPolarHBondContact CB-OG 3.38Å; D82-S169 PolarHBondContact N-O 2.97Å; D82-S169 PolarHBondContact O-N 3.16Å; D82-S169 PolarHBondContact OD2-OG 3.03Å
170	C	94.6	Very high	94.6	Very high	28 Å²	28	60.2 Å²	60.2	19%	0.189	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	156	172.8	65.2	0	0	0	0	109.6	F81 V154 T174	F81-C170 HydrophobicContact CD1-CB 3.66Å; F81-C170 HydrophobicContact CE1-CB 4.05Å; F81-C170 HydrophobicContact CG-CB 4.49Å; V154-C170 HydrophobicContact CG2-CB 4.12Å; C170-T174 HydrophobicContact CB-CG2 3.89Å
171	D	94.6	Very high	94.5	Very high	93 Å²	93	61.7 Å²	61.7	50%	0.497	31%	0.308	S	S	.	.			trans	-68.6	160	175.5	-170.7	17.4	0	0	0	111.1	S80 F173 T174 S175	S80-D171 PolarHBondContact O-N 3.48Å; S80-D171 VanDerWaalsContact O-N 3.1Å; D171-F173 VanDerWaalsContact C-N 3.25Å; D171-F173 PolarHBondContact O-N 3.5Å; D171-T174 WeakPolarHBondContact O-CB 3.42Å; D171-T174 PolarHBondContact O-N 3.18Å; D171-T174 VanDerWaalsContact O-N 3.1Å; D171-S175 PolarHBondContact O-N 3.35Å
172	Q	95.9	Very high	94.4	Very high	121 Å²	121	57.5 Å²	57.5	57%	0.565	31%	0.31	S	S	*	.	H	α-helix	trans	-59.5	-35.1	-178	-171.9	59.4	46.2	0	0	112.6	S175 N176	Q172-S175 PolarHBondContact NE2-OG 3.43Å; Q172-S175 PolarHBondContact O-OG 2.94Å; Q172-N176 PolarHBondContact NE2-OD1 2.93Å; Q172-N176 VanDerWaalsContact O-CG 3.23Å; Q172-N176 PolarHBondContact O-N 3.1Å; Q172-N176 PolarHBondContact O-ND2 2.87Å
173	F	96.2	Very high	94.5	Very high	86 Å²	86	55.2 Å²	55.2	38%	0.377	28%	0.281	S	S	.	.	H	α-helix	trans	-64	-48.2	174.5	174.5	-101.4	0	0	0	111.4	Q77 A78 L79 D171 S175 N176 F177	Q77-F173 HydrophobicContact CB-CE1 4.27Å; Q77-F173 HydrophobicContact CB-CZ 3.99Å; Q77-F173 HydrophobicContact CG-CZ 3.99Å; A78-F173 WeakPolarHBondContact O-CD1 3.41Å; L79-F173 HydrophobicContact CD2-CD1 4.31Å; L79-F173 HydrophobicContact CD2-CE1 3.93Å; D171-F173 VanDerWaalsContact C-N 3.25Å; D171-F173 PolarHBondContact O-N 3.5Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 2.91Å; F173-N176 PolarHBondContact O-N 3.1Å; F173-F177 HydrophobicContact CZ-CD2 4.35Å; F173-F177 WeakPolarHBondContact O-CB 3.26Å; F173-F177 PolarHBondContact O-N 3.39Å
174	T	95.6	Very high	94.6	Very high	1 Å²	1	57.5 Å²	57.5	1%	0.006	30%	0.301	C	S	.	.	H	α-helix	trans	-60	-43.3	178.7	-50.1	0	0	0	0	111.7	L79 S80 F81 C170 D171 N176 F177 L178	L79-T174 HydrophobicContact CB-CG2 3.84Å; L79-T174 HydrophobicContact CD2-CG2 4.31Å; S80-T174 PolarHBondContact N-OG1 3.21Å; S80-T174 PolarHBondContact O-OG1 3.29Å; F81-T174 HydrophobicContact CD1-CG2 4.15Å; F81-T174 HydrophobicContact CE1-CG2 3.54Å; F81-T174 HydrophobicContact CE2-CG2 3.96Å; F81-T174 HydrophobicContact CZ-CG2 3.43Å; F81-T174 VanDerWaalsContact CZ-CG2 3.43Å; C170-T174 HydrophobicContact CB-CG2 3.89Å; D171-T174 WeakPolarHBondContact O-CB 3.42Å; D171-T174 PolarHBondContact O-N 3.18Å; D171-T174 VanDerWaalsContact O-N 3.1Å; T174-N176 VanDerWaalsContact C-N 3.33Å; T174-N176 PolarHBondContact O-N 2.74Å; T174-F177 PolarHBondContact O-N 2.94Å; T174-L178 HydrophobicContact CG2-CD1 4.09Å; T174-L178 HydrophobicContact CG2-CG 4.37Å; T174-L178 WeakPolarHBondContact O-CB 3.42Å; T174-L178 WeakPolarHBondContact O-CG 3.4Å; T174-L178 PolarHBondContact O-N 2.96Å
175	S	94.4	Very high	94.4	Very high	11 Å²	11	55.9 Å²	55.9	8%	0.077	29%	0.29	C	S	.	.	H	α-helix	trans	-62	-42.6	180	76.7	0	0	0	0	111.5	D171 Q172 F173 R179	D171-S175 PolarHBondContact O-N 3.35Å; Q172-S175 PolarHBondContact NE2-OG 3.43Å; Q172-S175 PolarHBondContact O-OG 2.94Å; F173-S175 VanDerWaalsContact C-N 3.33Å; F173-S175 PolarHBondContact O-N 2.91Å; S175-R179 WeakPolarHBondContact O-CB 3.35Å; S175-R179 VanDerWaalsContact O-CG 3.26Å; S175-R179 WeakPolarHBondContact O-CG 3.33Å; S175-R179 PolarHBondContact O-N 2.83Å; S175-R179 VanDerWaalsContact O-N 3.09Å
176	N	95.7	Very high	94.2	Very high	74 Å²	74	57.3 Å²	57.3	40%	0.396	30%	0.304	S	S	.	.	H	α-helix	trans	-66.2	-41.5	175.8	-70	-18.8	0	0	0	111.9	Q172 F173 T174 K180	Q172-N176 PolarHBondContact NE2-OD1 2.93Å; Q172-N176 VanDerWaalsContact O-CG 3.23Å; Q172-N176 PolarHBondContact O-N 3.1Å; Q172-N176 PolarHBondContact O-ND2 2.87Å; F173-N176 PolarHBondContact O-N 3.1Å; T174-N176 VanDerWaalsContact C-N 3.33Å; T174-N176 PolarHBondContact O-N 2.74Å; N176-K180 WeakPolarHBondContact O-CG 3.34Å; N176-K180 PolarHBondContact O-N 2.83Å
177	F	94.6	Very high	94	Very high	25 Å²	25	63.3 Å²	63.3	11%	0.11	33%	0.332	C	S	.	.	H	α-helix	trans	-64.1	-47.8	179.4	-171.3	-86.5	0	0	0	111.9	Y60 F74 L79 P108 V149 F173 T174 K180 L181	Y60-F177 HydrophobicContact CE1-CZ 4.48Å; F74-F177 HydrophobicContact CD1-CE2 4.23Å; F74-F177 HydrophobicContact CD1-CZ 4.3Å; F74-F177 HydrophobicContact CE1-CE2 4.14Å; F74-F177 HydrophobicContact CE1-CZ 4.02Å; L79-F177 HydrophobicContact CD1-CD1 3.71Å; L79-F177 HydrophobicContact CD1-CE1 3.83Å; L79-F177 HydrophobicContact CD2-CB 3.71Å; L79-F177 HydrophobicContact CD2-CD1 3.51Å; L79-F177 HydrophobicContact CD2-CD2 4.15Å; L79-F177 HydrophobicContact CD2-CE1 4.09Å; L79-F177 HydrophobicContact CD2-CG 3.53Å; L79-F177 HydrophobicContact CG-CD1 4.22Å; L79-F177 HydrophobicContact CG-CE1 4.46Å; P108-F177 HydrophobicContact CB-CZ 4.35Å; P108-F177 HydrophobicContact CG-CZ 4.43Å; V149-F177 HydrophobicContact CG2-CE1 4.32Å; F173-F177 HydrophobicContact CZ-CD2 4.35Å; F173-F177 WeakPolarHBondContact O-CB 3.26Å; F173-F177 PolarHBondContact O-N 3.39Å; T174-F177 PolarHBondContact O-N 2.94Å; F177-K180 WeakPolarHBondContact O-CB 2.88Å; F177-K180 PolarHBondContact O-N 2.73Å; F177-L181 HydrophobicContact CD1-CD1 3.84Å; F177-L181 HydrophobicContact CD1-CG 4.32Å; F177-L181 HydrophobicContact CE1-CD1 3.48Å; F177-L181 VanDerWaalsContact CE1-CD1 3.48Å; F177-L181 HydrophobicContact CE1-CG 4.13Å; F177-L181 HydrophobicContact CZ-CD1 4.44Å; F177-L181 PolarHBondContact O-N 2.74Å
178	L	93.9	Very high	93.8	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-64.8	-40.5	178.4	-73.1	179.7	0	0	0	112.4	F81 V149 T174 K180 L181 G182 V183 L185	F81-L178 HydrophobicContact CE1-CD1 3.71Å; F81-L178 HydrophobicContact CZ-CD1 3.84Å; V149-L178 HydrophobicContact CG2-CD2 4.3Å; T174-L178 HydrophobicContact CG2-CD1 4.09Å; T174-L178 HydrophobicContact CG2-CG 4.37Å; T174-L178 WeakPolarHBondContact O-CB 3.42Å; T174-L178 WeakPolarHBondContact O-CG 3.4Å; T174-L178 PolarHBondContact O-N 2.96Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 3.31Å; L178-L181 PolarHBondContact O-N 3Å; L178-L181 VanDerWaalsContact O-N 3.14Å; L178-G182 PolarHBondContact O-N 3.41Å; L178-V183 HydrophobicContact CB-CB 4.26Å; L178-V183 HydrophobicContact CD2-CG2 4.47Å; L178-V183 PolarHBondContact O-N 2.63Å; L178-L185 HydrophobicContact CB-CD2 4.04Å; L178-L185 HydrophobicContact CD1-CD2 3.58Å; L178-L185 HydrophobicContact CG-CD2 4.48Å
179	R	93.4	Very high	93.7	Very high	168 Å²	168	72 Å²	72	63%	0.634	38%	0.381	S	S	*	.	H	α-helix	trans	-60.8	-39.7	173.1	-75.5	178.3	-174.5	-163	3.4	112.1	S175 L181 G182 L185	S175-R179 WeakPolarHBondContact O-CB 3.35Å; S175-R179 VanDerWaalsContact O-CG 3.26Å; S175-R179 WeakPolarHBondContact O-CG 3.33Å; S175-R179 PolarHBondContact O-N 2.83Å; S175-R179 VanDerWaalsContact O-N 3.09Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.33Å; R179-G182 PolarHBondContact O-N 3.21Å; R179-L185 HydrophobicContact CG-CD1 4.13Å
180	K	91.9	Very high	93.6	Very high	182 Å²	182	75.3 Å²	75.3	79%	0.791	40%	0.404	S	S	*	.	H	α-helix	trans	-64.7	-32.5	174.9	-77.4	179.6	-179.9	-176.6	0	112.8	N176 F177 L178 G182	N176-K180 WeakPolarHBondContact O-CG 3.34Å; N176-K180 PolarHBondContact O-N 2.83Å; F177-K180 WeakPolarHBondContact O-CB 2.88Å; F177-K180 PolarHBondContact O-N 2.73Å; L178-K180 VanDerWaalsContact C-N 3.31Å; L178-K180 PolarHBondContact O-N 3.31Å; K180-G182 PolarHBondContact O-N 3.24Å
181	L	91.4	Very high	93.5	Very high	34 Å²	34	76.1 Å²	76.1	18%	0.178	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.6	-9	172.4	-69.8	178.4	0	0	0	113.6	Y60 P61 V149 F177 L178 R179 V183	Y60-L181 HydrophobicContact CD1-CD2 3.9Å; P61-L181 HydrophobicContact CG-CD2 4.23Å; V149-L181 HydrophobicContact CG1-CD1 4.13Å; V149-L181 HydrophobicContact CG2-CD1 3.77Å; F177-L181 HydrophobicContact CD1-CD1 3.84Å; F177-L181 HydrophobicContact CD1-CG 4.32Å; F177-L181 HydrophobicContact CE1-CD1 3.48Å; F177-L181 VanDerWaalsContact CE1-CD1 3.48Å; F177-L181 HydrophobicContact CE1-CG 4.13Å; F177-L181 HydrophobicContact CZ-CD1 4.44Å; F177-L181 PolarHBondContact O-N 2.74Å; L178-L181 PolarHBondContact O-N 3Å; L178-L181 VanDerWaalsContact O-N 3.14Å; R179-L181 VanDerWaalsContact C-N 3.3Å; R179-L181 PolarHBondContact O-N 3.33Å; L181-V183 HydrophobicContact CB-CG2 4.48Å
182	G	91.1	Very high	93.4	Very high	62 Å²	62	73.9 Å²	73.9	64%	0.639	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	90.9	10.2	-178	0	0	0	0	0	114.2	L178 R179 K180	L178-G182 PolarHBondContact O-N 3.41Å; R179-G182 PolarHBondContact O-N 3.21Å; K180-G182 PolarHBondContact O-N 3.24Å
183	V	91.6	Very high	93.2	Very high	30 Å²	30	73.4 Å²	73.4	18%	0.182	40%	0.398	C	S	.	.			trans	-82.3	124	177.6	-178.3	0	0	0	0	109.9	L178 L181 L185	L178-V183 HydrophobicContact CB-CB 4.26Å; L178-V183 HydrophobicContact CD2-CG2 4.47Å; L178-V183 PolarHBondContact O-N 2.63Å; L181-V183 HydrophobicContact CB-CG2 4.48Å; V183-L185 PolarHBondContact O-N 3.46Å
184	T	93.4	Very high	92.9	Very high	122 Å²	122	69.8 Å²	69.8	75%	0.748	38%	0.382	S	S	*	.			trans	-78.1	113	170.1	52.7	0	0	0	0	109.7	N153	N153-T184 PolarHBondContact ND2-O 2.98Å
185	L	92.6	Very high	92.6	Very high	42 Å²	42	70.6 Å²	70.6	22%	0.22	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-65.4	137.6	179.1	-67.6	165.8	0	0	0	111.4	N153 V154 L178 R179 V183	N153-L185 WeakPolarHBondContact OD1-CA 3.48Å; V154-L185 HydrophobicContact CG2-CD2 4.3Å; L178-L185 HydrophobicContact CB-CD2 4.04Å; L178-L185 HydrophobicContact CD1-CD2 3.58Å; L178-L185 HydrophobicContact CG-CD2 4.48Å; R179-L185 HydrophobicContact CG-CD1 4.13Å; V183-L185 PolarHBondContact O-N 3.46Å
186	G	91.7	Very high	92.3	Very high	29 Å²	29	72.3 Å²	72.3	30%	0.299	39%	0.393	S	S	.	.	P	Polyproline II helix	trans	-64.5	168	167.6	0	0	0	0	0	112.6	N153 V154	N153-G186 PolarHBondContact OD1-N 3.5Å; V154-G186 WeakPolarHBondContact O-CA 3.43Å
187	K	93.1	Very high	91.8	Very high	186 Å²	186	70.8 Å²	70.8	81%	0.809	39%	0.388	S	S	*	.	P	Polyproline II helix	trans	-72.3	134	175.1	-67.5	-178.7	-179.3	178.3	0	109.2	V154 E189	V154-K187 WeakPolarHBondContact CG1-O 3.4Å; K187-E189 PolarHBondContact O-N 3.22Å
188	P	93.4	Very high	91.6	Very high	104 Å²	104	73.7 Å²	73.7	68%	0.675	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-61.3	132.5	175.9	26	-33.1	0	0	0	110.2	V168	V168-P188 WeakPolarHBondContact O-CA 3.38Å
189	E	93.6	Very high	91.2	Very high	81 Å²	81	79.2 Å²	79.2	38%	0.379	43%	0.43	S	S	.	.	P	Polyproline II helix	trans	-96.1	171.8	175.7	-69	174.1	179.7	0	0	109.3	R166 V168 K187	R166-E189 IonicContact CZ-OE1 2.66Å; R166-E189 IonicContact CZ-OE2 3.06Å; R166-E189 IonicContact NE-OE1 3.67Å; R166-E189 IonicContact NE-OE2 3.69Å; R166-E189 PolarHBondContact NE-OE2 3.28Å; R166-E189 IonicContact NH2-OE1 3.13Å; R166-E189 PolarHBondContact NH2-OE1 3.01Å; R166-E189 IonicContact NH2-OE2 3.8Å; R166-E189 PolarHBondContact NH2-OE2 3.06Å; V168-E189 HydrophobicContact CG1-CB 3.87Å; V168-E189 WeakPolarHBondContact CG1-O 3.36Å; V168-E189 PolarHBondContact O-N 3.25Å; K187-E189 PolarHBondContact O-N 3.22Å
190	S	93.3	Very high	90.9	Very high	102 Å²	102	76.2 Å²	76.2	71%	0.713	42%	0.418	S	S	*	.	P	Polyproline II helix	trans	-98.7	140.1	167	54.1	0	0	0	0	109.7	P192	S190-P192 WeakPolarHBondContact O-CD 3.41Å
191	I	93.2	Very high	90.7	Very high	46 Å²	46	73.6 Å²	73.6	24%	0.236	41%	0.407	C	S	.	.	P	Polyproline II helix	trans	-67.6	127.1	170.9	-58	176.7	0	0	0	107.9	Y84 I99 K101 V168	Y84-I191 HydrophobicContact CD1-CB 4.49Å; Y84-I191 HydrophobicContact CD1-CG1 4.43Å; Y84-I191 HydrophobicContact CD1-CG2 3.99Å; Y84-I191 HydrophobicContact CG-CG2 3.99Å; I99-I191 HydrophobicContact CG2-CG2 3.86Å; K101-I191 HydrophobicContact CD-CD1 4.32Å; K101-I191 HydrophobicContact CD-CG2 4.49Å; K101-I191 HydrophobicContact CG-CD1 4.32Å; K101-I191 HydrophobicContact CG-CG2 4.17Å; V168-I191 HydrophobicContact CB-CG1 4.16Å; V168-I191 HydrophobicContact CG1-CG1 3.86Å; V168-I191 HydrophobicContact CG2-CG1 4.17Å
192	P	92.7	Very high	90.5	Very high	45 Å²	45	74.3 Å²	74.3	29%	0.292	42%	0.418	S	S	.	.	P	Polyproline II helix	trans	-56.1	143.2	174.8	-24.2	34	0	0	0	111.3	Y84 I99 S190	Y84-P192 HydrophobicContact CE1-CG 4.12Å; Y84-P192 HydrophobicContact CE2-CG 3.89Å; Y84-P192 VanDerWaalsContact CZ-CD 3.41Å; I99-P192 HydrophobicContact CD1-CB 4.28Å; I99-P192 HydrophobicContact CG1-CB 4.27Å; I99-P192 WeakPolarHBondContact CG2-O 3.41Å; S190-P192 WeakPolarHBondContact O-CD 3.41Å
193	D	90.4	Very high	90.2	Very high	111 Å²	111	77.8 Å²	77.8	59%	0.594	42%	0.415	S	S	*	.	P	Polyproline II helix	trans	-69.3	138.7	176.3	-71.7	-40.5	0	0	0	110.6	P195 I198	D193-P195 WeakPolarHBondContact O-CD 3.48Å; D193-I198 HydrophobicContact CB-CD1 3.36Å; D193-I198 HydrophobicContact CB-CG1 3.94Å
194	D	89.6	Confident	89.8	Confident	10 Å²	10	80.2 Å²	80.2	5%	0.053	43%	0.43	C	S	.	.	P	Polyproline II helix	trans	-78.1	118.5	176.5	175.1	54	0	0	0	109.6	R98 I99 Y196 S197 I198	R98-D194 WeakPolarHBondContact CG-OD1 3.14Å; I99-D194 HydrophobicContact CB-CB 4.06Å; I99-D194 PolarHBondContact N-OD1 3.27Å; D194-Y196 VanDerWaalsContact C-N 3.26Å; D194-Y196 PolarHBondContact O-N 3.32Å; D194-S197 PolarHBondContact O-N 3.27Å; D194-S197 WeakPolarHBondContact OD2-CB 3.33Å; D194-S197 PolarHBondContact OD2-N 3.25Å; D194-S197 PolarHBondContact OD2-OG 2.98Å; D194-I198 PolarHBondContact O-N 3.49Å
195	P	89.1	Confident	89.4	Confident	19 Å²	19	80.1 Å²	80.1	12%	0.123	42%	0.422	C	S	.	.	H	α-helix	trans	-54.7	-42.3	-176.8	-27.1	34.9	0	0	0	112.7	E95 Y97 D193 S197 I198 H199	E95-P195 HydrophobicContact CB-CB 4.43Å; Y97-P195 HydrophobicContact CD2-CG 4.43Å; Y97-P195 HydrophobicContact CE1-CG 4.24Å; Y97-P195 HydrophobicContact CE2-CG 3.82Å; D193-P195 WeakPolarHBondContact O-CD 3.48Å; P195-S197 PolarHBondContact O-N 3.06Å; P195-I198 PolarHBondContact O-N 3.18Å; P195-H199 PolarHBondContact O-CD2 3.21Å; P195-H199 PolarHBondContact O-N 2.78Å
196	Y	88	Confident	89	Confident	46 Å²	46	81.9 Å²	81.9	18%	0.18	44%	0.437	C	S	.	.	H	α-helix	trans	-59.9	-47.7	176.6	172.9	-92.4	0	0	0	112.3	E95 N122 D194 I198 H199 R200	E95-Y196 VanDerWaalsContact OE2-CB 3.3Å; E95-Y196 WeakPolarHBondContact OE2-CB 3.3Å; N122-Y196 PolarHBondContact O-OH 3.46Å; D194-Y196 VanDerWaalsContact C-N 3.26Å; D194-Y196 PolarHBondContact O-N 3.32Å; Y196-I198 VanDerWaalsContact C-N 3.33Å; Y196-I198 PolarHBondContact O-N 3.06Å; Y196-H199 PolarHBondContact O-N 2.86Å; Y196-R200 WeakPolarHBondContact O-CB 3.44Å; Y196-R200 PolarHBondContact O-N 2.83Å; Y196-R200 PolarHBondContact OH-NH1 3.35Å
197	S	86.9	Confident	88.6	Confident	43 Å²	43	86.4 Å²	86.4	30%	0.301	45%	0.452	S	S	.	.	H	α-helix	trans	-62.8	-39.2	178.5	-62.8	0	0	0	0	112.2	D194 P195 R200 K201	D194-S197 PolarHBondContact O-N 3.27Å; D194-S197 WeakPolarHBondContact OD2-CB 3.33Å; D194-S197 PolarHBondContact OD2-N 3.25Å; D194-S197 PolarHBondContact OD2-OG 2.98Å; P195-S197 PolarHBondContact O-N 3.06Å; S197-R200 PolarHBondContact O-N 2.89Å; S197-K201 VanDerWaalsContact O-CB 3.23Å; S197-K201 WeakPolarHBondContact O-CB 3.23Å; S197-K201 PolarHBondContact O-N 3.48Å
198	I	88.8	Confident	87.9	Confident	85 Å²	85	84.8 Å²	84.8	44%	0.436	45%	0.447	S	S	.	.	H	α-helix	trans	-61.7	-52	174.3	-66.8	164	0	0	0	110.2	D193 D194 P195 Y196 R200 K201 A202	D193-I198 HydrophobicContact CB-CD1 3.36Å; D193-I198 HydrophobicContact CB-CG1 3.94Å; D194-I198 PolarHBondContact O-N 3.49Å; P195-I198 PolarHBondContact O-N 3.18Å; Y196-I198 VanDerWaalsContact C-N 3.33Å; Y196-I198 PolarHBondContact O-N 3.06Å; I198-R200 VanDerWaalsContact C-N 3.28Å; I198-R200 PolarHBondContact O-N 2.97Å; I198-K201 PolarHBondContact O-N 3.32Å; I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 2.91Å
199	H	86.9	Confident	87.7	Confident	116 Å²	116	85.9 Å²	85.9	54%	0.537	46%	0.455	S	S	.	.	H	α-helix	trans	-59.3	-41	-179.8	-78.4	-62	0	0	0	112.1	P195 Y196 F203	P195-H199 PolarHBondContact O-CD2 3.21Å; P195-H199 PolarHBondContact O-N 2.78Å; Y196-H199 PolarHBondContact O-N 2.86Å; H199-F203 WeakPolarHBondContact O-CB 3.34Å; H199-F203 PolarHBondContact O-N 3.06Å
200	R	86.3	Confident	87.3	Confident	105 Å²	105	88.9 Å²	88.9	40%	0.396	47%	0.472	S	S	.	.	H	α-helix	trans	-70.8	-37.9	178.9	-169.3	152.2	-170.5	162.9	1.1	112.7	N122 Y196 S197 I198 F203 T204	N122-R200 PolarHBondContact O-NH1 2.95Å; Y196-R200 WeakPolarHBondContact O-CB 3.44Å; Y196-R200 PolarHBondContact O-N 2.83Å; Y196-R200 PolarHBondContact OH-NH1 3.35Å; S197-R200 PolarHBondContact O-N 2.89Å; I198-R200 VanDerWaalsContact C-N 3.28Å; I198-R200 PolarHBondContact O-N 2.97Å; R200-F203 PolarHBondContact O-N 2.82Å; R200-T204 PolarHBondContact O-N 3.24Å; R200-T204 PolarHBondContact O-OG1 3.34Å
201	K	87.6	Confident	86.7	Confident	128 Å²	128	95.1 Å²	95.1	56%	0.557	48%	0.48	S	S	*	.	H	α-helix	trans	-65.3	-47.2	173.9	-175.9	175	170	-177.2	0	110.8	S197 I198 F203 T204 E205	S197-K201 VanDerWaalsContact O-CB 3.23Å; S197-K201 WeakPolarHBondContact O-CB 3.23Å; S197-K201 PolarHBondContact O-N 3.48Å; I198-K201 PolarHBondContact O-N 3.32Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 3.47Å; K201-T204 CarbonylContact O-C 3.52Å; K201-T204 WeakPolarHBondContact O-CA 2.83Å; K201-T204 WeakPolarHBondContact O-CB 3.43Å; K201-T204 PolarHBondContact O-N 3.46Å; K201-E205 WeakPolarHBondContact CE-OE1 3.49Å; K201-E205 HydrophobicContact CG-CG 4.34Å; K201-E205 IonicContact NZ-OE1 3.74Å; K201-E205 WeakPolarHBondContact O-CB 3.5Å; K201-E205 WeakPolarHBondContact O-CG 3.29Å; K201-E205 PolarHBondContact O-N 2.81Å
202	A	87.7	Confident	86.2	Confident	49 Å²	49	98.4 Å²	98.4	41%	0.405	51%	0.505	S	S	.	.	H	α-helix	trans	-58.5	-40.1	175.1	0	0	0	0	0	112.1	I198 T204 E205 S206	I198-A202 WeakPolarHBondContact O-CB 3.38Å; I198-A202 PolarHBondContact O-N 2.91Å; A202-T204 VanDerWaalsContact C-N 3.34Å; A202-T204 PolarHBondContact O-N 2.86Å; A202-E205 PolarHBondContact O-N 3.48Å; A202-S206 VanDerWaalsContact O-CB 3.29Å; A202-S206 WeakPolarHBondContact O-CB 3.5Å; A202-S206 PolarHBondContact O-N 3.03Å
203	F	85	Confident	85.7	Confident	134 Å²	134	103.6 Å²	103.6	59%	0.588	52%	0.52	S	S	*	.	H	α-helix	trans	-62.3	-41.3	173.7	-175.2	-96.8	0	0	0	112	H199 R200 K201 S206 M207	H199-F203 WeakPolarHBondContact O-CB 3.34Å; H199-F203 PolarHBondContact O-N 3.06Å; R200-F203 PolarHBondContact O-N 2.82Å; K201-F203 VanDerWaalsContact C-N 3.3Å; K201-F203 PolarHBondContact O-N 3.47Å; F203-S206 PolarHBondContact O-N 3.21Å; F203-S206 PolarHBondContact O-OG 3.44Å; F203-M207 HydrophobicContact CD1-CE 3.96Å; F203-M207 HydrophobicContact CE1-CE 3.5Å; F203-M207 VanDerWaalsContact CE1-CE 3.5Å; F203-M207 HydrophobicContact CZ-CE 4.3Å
204	T	83.4	Confident	85.3	Confident	81 Å²	81	102.9 Å²	102.9	50%	0.497	51%	0.513	S	S	.	.	H	α-helix	trans	-69	-41.5	177.7	-49.7	0	0	0	0	111.3	R200 K201 A202 S206 M207	R200-T204 PolarHBondContact O-N 3.24Å; R200-T204 PolarHBondContact O-OG1 3.34Å; K201-T204 CarbonylContact O-C 3.52Å; K201-T204 WeakPolarHBondContact O-CA 2.83Å; K201-T204 WeakPolarHBondContact O-CB 3.43Å; K201-T204 PolarHBondContact O-N 3.46Å; A202-T204 VanDerWaalsContact C-N 3.34Å; A202-T204 PolarHBondContact O-N 2.86Å; T204-S206 VanDerWaalsContact C-N 3.3Å; T204-S206 PolarHBondContact O-N 2.65Å; T204-M207 VanDerWaalsContact O-CB 3.29Å; T204-M207 WeakPolarHBondContact O-CB 3.29Å; T204-M207 WeakPolarHBondContact O-CG 3.47Å; T204-M207 PolarHBondContact O-N 3.4Å
205	E	83.5	Confident	84.9	Confident	121 Å²	121	111.8 Å²	111.8	57%	0.565	55%	0.546	S	S	*	.	H	α-helix	trans	-71	-24.8	177.2	-70.9	177.1	168.2	0	0	112.9	K201 A202 M207	K201-E205 WeakPolarHBondContact CE-OE1 3.49Å; K201-E205 HydrophobicContact CG-CG 4.34Å; K201-E205 IonicContact NZ-OE1 3.74Å; K201-E205 WeakPolarHBondContact O-CB 3.5Å; K201-E205 WeakPolarHBondContact O-CG 3.29Å; K201-E205 PolarHBondContact O-N 2.81Å; A202-E205 PolarHBondContact O-N 3.48Å; E205-M207 PolarHBondContact O-N 3.26Å
206	S	83.9	Confident	84.5	Confident	78 Å²	78	114 Å²	114	55%	0.545	56%	0.555	S	S	.	*	T	Hydrogen-bonded Turn	trans	-67.5	-14.2	172.5	78	0	0	0	0	113.2	A202 F203 T204 Q208	A202-S206 VanDerWaalsContact O-CB 3.29Å; A202-S206 WeakPolarHBondContact O-CB 3.5Å; A202-S206 PolarHBondContact O-N 3.03Å; F203-S206 PolarHBondContact O-N 3.21Å; F203-S206 PolarHBondContact O-OG 3.44Å; T204-S206 VanDerWaalsContact C-N 3.3Å; T204-S206 PolarHBondContact O-N 2.65Å; S206-Q208 PolarHBondContact O-N 2.84Å
207	M	83.3	Confident	84.2	Confident	125 Å²	125	115 Å²	115	62%	0.616	56%	0.564	S	S	*	*			trans	-74.4	70.1	173.2	-57.9	-175.2	178.2	0	0	110.5	F203 T204 E205	F203-M207 HydrophobicContact CD1-CE 3.96Å; F203-M207 HydrophobicContact CE1-CE 3.5Å; F203-M207 VanDerWaalsContact CE1-CE 3.5Å; F203-M207 HydrophobicContact CZ-CE 4.3Å; T204-M207 VanDerWaalsContact O-CB 3.29Å; T204-M207 WeakPolarHBondContact O-CB 3.29Å; T204-M207 WeakPolarHBondContact O-CG 3.47Å; T204-M207 PolarHBondContact O-N 3.4Å; E205-M207 PolarHBondContact O-N 3.26Å
208	Q	80.3	Confident	84.2	Confident	151 Å²	151	119.5 Å²	119.5	71%	0.706	58%	0.578	S	S	*	*			trans	-81.1	127.2	174.4	-65.9	-172	-3.1	0	0	110.4	S206 L210	S206-Q208 PolarHBondContact O-N 2.84Å; Q208-L210 VanDerWaalsContact C-N 3.27Å; Q208-L210 PolarHBondContact O-N 3.24Å
209	P	87.3	Confident	84.3	Confident	128 Å²	128	120.4 Å²	120.4	83%	0.831	58%	0.583	S	S	*	*	S	Bend	trans	-74	-21.1	179.2	29.2	-34.3	0	0	0	112.5
210	L	86	Confident	84.6	Confident	143 Å²	143	123.3 Å²	123.3	75%	0.749	59%	0.589	S	S	*	*	P	Polyproline II helix	trans	-92.6	134.6	-178.1	-60.7	177.8	0	0	0	110.3	Q208	Q208-L210 VanDerWaalsContact C-N 3.27Å; Q208-L210 PolarHBondContact O-N 3.24Å
211	R	81.4	Confident	84.9	Confident	233 Å²	233	121.4 Å²	121.4	88%	0.879	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-98	126.7	169.2	-62	-179.2	-169	155.9	3.5	108.1	Y213	R211-Y213 PolarHBondContact O-N 3.01Å
212	P	81.8	Confident	85.1	Confident	116 Å²	116	119.9 Å²	119.9	75%	0.753	58%	0.578	S	S	*	*	P	Polyproline II helix	trans	-62.1	129.6	176.3	26	-32.8	0	0	0	109.4
213	Y	82.7	Confident	85.5	Confident	153 Å²	153	123.1 Å²	123.1	60%	0.6	59%	0.588	S	S	*	*			trans	-131	119.3	176.1	-179.3	-100.3	0	0	0	109.6	R211 R300 L317	R211-Y213 PolarHBondContact O-N 3.01Å; Y213-R300 PolarHBondContact OH-NH1 2.73Å; Y213-R300 PolarHBondContact OH-NH2 2.65Å; Y213-R300 VanDerWaalsContact OH-NH2 3.12Å; Y213-L317 HydrophobicContact CD2-CD1 4.25Å; Y213-L317 HydrophobicContact CE2-CD1 3.96Å
214	E	81	Confident	85.9	Confident	96 Å²	96	121 Å²	121	45%	0.449	58%	0.583	S	S	.	*			trans	-86.2	115.2	177.5	-175.2	177.2	-148.3	0	0	110.5	M216 R300 K321	E214-M216 HydrophobicContact CG-CE 4.44Å; E214-M216 PolarHBondContact O-N 3.44Å; E214-M216 WeakPolarHBondContact OE2-CE 3.36Å; E214-R300 PolarHBondContact O-NH2 3.11Å; E214-K321 IonicContact OE1-NZ 3.96Å; E214-K321 PolarHBondContact OE1-NZ 2.91Å; E214-K321 WeakPolarHBondContact OE2-CE 3.13Å; E214-K321 IonicContact OE2-NZ 3.61Å; E214-K321 PolarHBondContact OE2-NZ 2.74Å
215	R	81.2	Confident	86.3	Confident	197 Å²	197	119.8 Å²	119.8	74%	0.743	57%	0.571	S	S	*	*			trans	-79	103.9	174.8	-174.8	179.2	172.3	159.3	-2.4	109.4	D217	R215-D217 HydrophobicContact CG-CB 4.12Å; R215-D217 IonicContact CZ-OD2 3.26Å; R215-D217 IonicContact NE-OD2 3.37Å; R215-D217 PolarHBondContact NE-OD2 3.41Å; R215-D217 IonicContact NH2-OD2 2.66Å; R215-D217 PolarHBondContact NH2-OD2 3.31Å; R215-D217 PolarHBondContact O-N 3.22Å
216	M	80.8	Confident	86.8	Confident	67 Å²	67	117.4 Å²	117.4	33%	0.33	56%	0.563	S	S	.	*			trans	-88.6	86.1	169.4	-65.4	174.2	-167.9	0	0	108.9	E214 D299 R300	E214-M216 HydrophobicContact CG-CE 4.44Å; E214-M216 PolarHBondContact O-N 3.44Å; E214-M216 WeakPolarHBondContact OE2-CE 3.36Å; M216-D299 WeakPolarHBondContact CE-O 3.27Å; M216-D299 HydrophobicContact SD-CB 4.2Å; M216-R300 HydrophobicContact CE-CG 3.42Å; M216-R300 VanDerWaalsContact CE-CG 3.42Å; M216-R300 HydrophobicContact SD-CG 3.67Å; M216-R300 PolarHBondContact SD-NE 3.45Å
217	D	82.7	Confident	87.2	Confident	66 Å²	66	124 Å²	124	35%	0.353	58%	0.576	S	S	.	*			trans	-102	100.8	-180	-165.5	-13.7	0	0	0	110.5	R215 L219	R215-D217 HydrophobicContact CG-CB 4.12Å; R215-D217 IonicContact CZ-OD2 3.26Å; R215-D217 IonicContact NE-OD2 3.37Å; R215-D217 PolarHBondContact NE-OD2 3.41Å; R215-D217 IonicContact NH2-OD2 2.66Å; R215-D217 PolarHBondContact NH2-OD2 3.31Å; R215-D217 PolarHBondContact O-N 3.22Å; D217-L219 VanDerWaalsContact C-N 3.33Å; D217-L219 VanDerWaalsContact OD1-CB 3.24Å; D217-L219 WeakPolarHBondContact OD1-CB 3.38Å; D217-L219 PolarHBondContact OD1-N 3.21Å
218	K	86.7	Confident	87.8	Confident	138 Å²	138	121.5 Å²	121.5	60%	0.6	56%	0.562	S	S	*	*			trans	-84.3	-11.7	174.5	-59.6	-178.9	-174.8	174.2	0	112	F222 D299	K218-F222 PolarHBondContact O-N 3.14Å; K218-D299 IonicContact NZ-OD2 3.77Å; K218-D299 PolarHBondContact NZ-OD2 3.01Å
219	L	91.9	Very high	88.6	Confident	103 Å²	103	116.1 Å²	116.1	54%	0.539	54%	0.54	S	S	.	.	H	α-helix	trans	-74.7	-40	-172.8	-179.1	63.1	0	0	0	111.7	D217 Q221 F222 L223	D217-L219 VanDerWaalsContact C-N 3.33Å; D217-L219 VanDerWaalsContact OD1-CB 3.24Å; D217-L219 WeakPolarHBondContact OD1-CB 3.38Å; D217-L219 PolarHBondContact OD1-N 3.21Å; L219-Q221 PolarHBondContact O-N 2.82Å; L219-F222 HydrophobicContact CD1-CD1 4.29Å; L219-F222 WeakPolarHBondContact O-CB 3.1Å; L219-F222 PolarHBondContact O-N 3.35Å; L219-L223 HydrophobicContact CD1-CD1 4.29Å; L219-L223 HydrophobicContact CD1-CG 4.15Å; L219-L223 HydrophobicContact CD2-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 3.97Å; L219-L223 HydrophobicContact CG-CG 4.26Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.91Å
220	R	91.8	Very high	89	Confident	178 Å²	178	110 Å²	110	67%	0.672	50%	0.5	S	S	*	.	H	α-helix	trans	-59.3	-50.7	-179.4	-179.2	178.5	176.3	175.8	1.7	112.1	F222 L223 D224	R220-F222 VanDerWaalsContact C-N 3.26Å; R220-F222 PolarHBondContact O-N 2.81Å; R220-L223 PolarHBondContact O-N 3.44Å; R220-L223 VanDerWaalsContact O-N 3.13Å; R220-D224 WeakPolarHBondContact CG-OD2 3.44Å; R220-D224 IonicContact NE-OD2 3.12Å; R220-D224 PolarHBondContact O-N 2.61Å
221	Q	92.1	Very high	89.6	Confident	64 Å²	64	108.1 Å²	108.1	30%	0.299	48%	0.483	S	S	.	.	H	α-helix	trans	-60.9	-39.1	179.4	-174.2	174.9	3.1	0	0	111.6	L219 H225 L255 A256 D258	L219-Q221 PolarHBondContact O-N 2.82Å; Q221-H225 WeakPolarHBondContact O-CB 3.39Å; Q221-H225 PolarHBondContact O-N 2.78Å; Q221-H225 VanDerWaalsContact O-N 3.13Å; Q221-L255 WeakPolarHBondContact CG-O 3.4Å; Q221-L255 PolarHBondContact NE2-O 2.89Å; Q221-A256 WeakPolarHBondContact CG-O 3.39Å; Q221-D258 PolarHBondContact NE2-OD1 2.85Å; Q221-D258 VanDerWaalsContact NE2-OD1 3.16Å; Q221-D258 PolarHBondContact NE2-OD2 2.82Å
222	F	93.6	Very high	90.2	Very high	97 Å²	97	97.1 Å²	97.1	43%	0.425	44%	0.441	S	S	.	.	H	α-helix	trans	-60.9	-47.2	173	173.8	-100.7	0	0	0	112.1	K218 L219 R220 D226 A256	K218-F222 PolarHBondContact O-N 3.14Å; L219-F222 HydrophobicContact CD1-CD1 4.29Å; L219-F222 WeakPolarHBondContact O-CB 3.1Å; L219-F222 PolarHBondContact O-N 3.35Å; R220-F222 VanDerWaalsContact C-N 3.26Å; R220-F222 PolarHBondContact O-N 2.81Å; F222-D226 HydrophobicContact CE2-CB 4.35Å; F222-D226 HydrophobicContact CZ-CB 4.48Å; F222-D226 WeakPolarHBondContact O-CA 3.39Å; F222-D226 VanDerWaalsContact O-CB 3.3Å; F222-D226 WeakPolarHBondContact O-CB 3.33Å; F222-D226 PolarHBondContact O-N 2.7Å; F222-A256 HydrophobicContact CD2-CB 4.29Å
223	L	94.4	Very high	90.9	Very high	117 Å²	117	93.7 Å²	93.7	61%	0.613	42%	0.415	S	S	*	.	H	α-helix	trans	-66.6	-38.9	-179.2	-69.5	174.9	0	0	0	113.1	L219 R220	L219-L223 HydrophobicContact CD1-CD1 4.29Å; L219-L223 HydrophobicContact CD1-CG 4.15Å; L219-L223 HydrophobicContact CD2-CD1 4.49Å; L219-L223 HydrophobicContact CG-CD1 3.97Å; L219-L223 HydrophobicContact CG-CG 4.26Å; L219-L223 WeakPolarHBondContact O-CG 3.35Å; L219-L223 PolarHBondContact O-N 2.91Å; R220-L223 PolarHBondContact O-N 3.44Å; R220-L223 VanDerWaalsContact O-N 3.13Å
224	D	93.4	Very high	91.4	Very high	89 Å²	89	86.4 Å²	86.4	48%	0.476	39%	0.386	S	S	.	.	H	α-helix	trans	-74.4	-27.3	-177.5	-68.8	-20.1	0	0	0	112.3	R220	R220-D224 WeakPolarHBondContact CG-OD2 3.44Å; R220-D224 IonicContact NE-OD2 3.12Å; R220-D224 PolarHBondContact O-N 2.61Å
225	H	93.6	Very high	91.9	Very high	55 Å²	55	83.2 Å²	83.2	26%	0.255	37%	0.372	S	S	.	.	H	α-helix	trans	-133.8	21.7	-169	-60.8	-32.5	0	0	0	114.6	Q221 R227 H228 L255	Q221-H225 WeakPolarHBondContact O-CB 3.39Å; Q221-H225 PolarHBondContact O-N 2.78Å; Q221-H225 VanDerWaalsContact O-N 3.13Å; H225-R227 PolarHBondContact O-N 3.32Å; H225-H228 AromaticContact ND1-ND1 3.86Å; H225-H228 PolarHBondContact O-N 3.09Å; H225-L255 HydrophobicContact CB-CB 3.62Å
226	D	92.7	Very high	92.5	Very high	72 Å²	72	75.1 Å²	75.1	39%	0.385	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	136.4	173.9	-172.4	29.1	0	0	0	110	F222 H228	F222-D226 HydrophobicContact CE2-CB 4.35Å; F222-D226 HydrophobicContact CZ-CB 4.48Å; F222-D226 WeakPolarHBondContact O-CA 3.39Å; F222-D226 VanDerWaalsContact O-CB 3.3Å; F222-D226 WeakPolarHBondContact O-CB 3.33Å; F222-D226 PolarHBondContact O-N 2.7Å; D226-H228 PolarHBondContact O-N 3.14Å
227	R	92.7	Very high	92.8	Very high	216 Å²	216	76.4 Å²	76.4	82%	0.815	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.3	0.7	-178.2	-50.8	175.6	-175.8	-165.9	-4.7	116.5	H225 V229	H225-R227 PolarHBondContact O-N 3.32Å; R227-V229 PolarHBondContact O-N 2.99Å
228	H	95.6	Very high	93.2	Very high	73 Å²	73	74.9 Å²	74.9	34%	0.338	34%	0.341	S	S	.	.			trans	-79.5	119	171.7	-64.1	164.1	0	0	0	110.6	H225 D226 L255 F356	H225-H228 AromaticContact ND1-ND1 3.86Å; H225-H228 PolarHBondContact O-N 3.09Å; D226-H228 PolarHBondContact O-N 3.14Å; H228-L255 HydrophobicContact CB-CB 4.23Å; H228-L255 HydrophobicContact CB-CD1 3.77Å; H228-L255 HydrophobicContact CB-CG 4.33Å; H228-L255 PolarHBondContact O-N 3.36Å; H228-L255 VanDerWaalsContact O-N 3.13Å; H228-F356 HydrophobicContact CB-CE1 4.04Å; H228-F356 HydrophobicContact CB-CZ 3.76Å; H228-F356 AromaticContact CD2-CZ 3.58Å; H228-F356 AromaticContact CG-CZ 3.65Å
229	V	96.8	Very high	93.1	Very high	38 Å²	38	71.7 Å²	71.7	23%	0.23	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129	124.7	-179.1	-173.8	0	0	0	0	108.5	R227 N252 Y253 F254 F356	R227-V229 PolarHBondContact O-N 2.99Å; V229-N252 HydrophobicContact CG1-CB 3.83Å; V229-Y253 CarbonylContact C-O 3.6Å; V229-Y253 WeakPolarHBondContact CA-O 3.3Å; V229-F254 HydrophobicContact CG1-CD1 4.34Å; V229-F254 HydrophobicContact CG1-CE1 4.29Å; V229-F254 HydrophobicContact CG2-CD1 3.52Å; V229-F254 HydrophobicContact CG2-CE1 3.66Å; V229-F254 HydrophobicContact CG2-CG 4.42Å; V229-F356 WeakPolarHBondContact O-CD1 3.32Å
230	L	96.9	Very high	92.8	Very high	0 Å²	0	76.1 Å²	76.1	0%	0	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	124	170.7	-49.7	177.4	0	0	0	108.2	F232 Y253 L255 D332 F356 T357 Y360 Y361	L230-F232 HydrophobicContact CB-CE2 3.75Å; L230-F232 HydrophobicContact CB-CZ 4.34Å; L230-Y253 HydrophobicContact CD1-CD1 4.16Å; L230-Y253 PolarHBondContact N-O 3.05Å; L230-Y253 PolarHBondContact O-N 2.66Å; L230-L255 HydrophobicContact CD1-CD2 3.89Å; L230-L255 HydrophobicContact CD2-CD1 4.35Å; L230-L255 HydrophobicContact CG-CD1 4.5Å; L230-L255 HydrophobicContact CG-CD2 4.13Å; L230-L255 HydrophobicContact CG-CG 4.23Å; L230-D332 HydrophobicContact CD1-CB 3.95Å; L230-F356 HydrophobicContact CD2-CD1 4.33Å; L230-F356 HydrophobicContact CD2-CE1 4.11Å; L230-T357 WeakPolarHBondContact CA-OG1 3.41Å; L230-T357 HydrophobicContact CB-CG2 4.04Å; L230-T357 HydrophobicContact CD2-CG2 4.2Å; L230-Y360 HydrophobicContact CD1-CD1 3.87Å; L230-Y360 HydrophobicContact CD1-CE1 3.92Å; L230-Y360 HydrophobicContact CD2-CD1 3.68Å; L230-Y360 HydrophobicContact CD2-CD2 4.5Å; L230-Y360 HydrophobicContact CD2-CE1 4.36Å; L230-Y360 HydrophobicContact CD2-CG 3.74Å; L230-Y360 HydrophobicContact CG-CD1 4.41Å; L230-Y361 HydrophobicContact CD1-CE2 4.11Å
231	R	96.9	Very high	92.7	Very high	102 Å²	102	70.3 Å²	70.3	39%	0.385	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.5	124.1	-176.8	-180	172.7	51.8	169.6	-1.8	110.3	I250 L251 C353 D354 T357	R231-I250 HydrophobicContact CG-CG2 3.73Å; R231-L251 WeakPolarHBondContact CA-O 3.34Å; R231-C353 WeakPolarHBondContact O-CA 3.33Å; R231-C353 WeakPolarHBondContact O-CB 3.19Å; R231-D354 IonicContact CZ-OD2 2.67Å; R231-D354 IonicContact NE-OD2 3.56Å; R231-D354 PolarHBondContact NE-OD2 2.83Å; R231-D354 IonicContact NH2-OD2 3.42Å; R231-D354 PolarHBondContact NH2-OD2 2.99Å; R231-D354 PolarHBondContact O-N 3.4Å; R231-T357 PolarHBondContact N-OG1 2.77Å
232	F	96	Very high	92.5	Very high	2 Å²	2	74.4 Å²	74.4	1%	0.009	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	137	-179.7	-63.2	-83.8	0	0	0	110.5	L230 L251 L335 I350 C353 T357 Y361	L230-F232 HydrophobicContact CB-CE2 3.75Å; L230-F232 HydrophobicContact CB-CZ 4.34Å; F232-L251 HydrophobicContact CB-CB 4.31Å; F232-L251 HydrophobicContact CD2-CD2 4.01Å; F232-L251 PolarHBondContact N-O 2.93Å; F232-L251 PolarHBondContact O-N 3.04Å; F232-L335 HydrophobicContact CE1-CB 4.44Å; F232-L335 WeakPolarHBondContact CE1-O 3.5Å; F232-L335 HydrophobicContact CE2-CB 3.8Å; F232-L335 HydrophobicContact CE2-CD1 4.09Å; F232-L335 HydrophobicContact CZ-CB 3.73Å; F232-L335 VanDerWaalsContact CZ-O 3.24Å; F232-L335 WeakPolarHBondContact CZ-O 3.21Å; F232-I350 HydrophobicContact CB-CG2 4.06Å; F232-I350 HydrophobicContact CD1-CD1 4.1Å; F232-I350 HydrophobicContact CD1-CG2 3.66Å; F232-I350 HydrophobicContact CG-CD1 4.31Å; F232-I350 HydrophobicContact CG-CG2 4.25Å; F232-C353 HydrophobicContact CD1-CB 3.71Å; F232-C353 HydrophobicContact CE1-CB 4.05Å; F232-T357 HydrophobicContact CD1-CG2 4.48Å; F232-T357 HydrophobicContact CE1-CG2 3.75Å; F232-T357 HydrophobicContact CE2-CG2 4.26Å; F232-T357 HydrophobicContact CZ-CG2 3.64Å; F232-Y361 HydrophobicContact CE1-CE2 4.27Å; F232-Y361 AromaticContact CZ-CE2 3.73Å; F232-Y361 HydrophobicContact CZ-CE2 3.73Å
233	F	94.7	Very high	92.1	Very high	44 Å²	44	79.8 Å²	79.8	19%	0.193	38%	0.38	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	122.1	170.4	-55.9	-73.6	0	0	0	108.7	I250 Y351 D352	F233-I250 HydrophobicContact CD1-CG1 4.21Å; F233-I250 HydrophobicContact CE1-CG1 4.36Å; F233-Y351 HydrophobicContact CB-CD1 4.22Å; F233-Y351 HydrophobicContact CB-CE1 3.54Å; F233-Y351 HydrophobicContact CB-CE2 3.98Å; F233-Y351 VanDerWaalsContact CB-CZ 3.4Å; F233-Y351 WeakPolarHBondContact CB-OH 3.44Å; F233-Y351 WeakPolarHBondContact O-CD1 3.18Å; F233-Y351 PolarHBondContact O-N 2.9Å; F233-D352 HydrophobicContact CB-CB 4.34Å; F233-D352 HydrophobicContact CD2-CB 3.96Å; F233-D352 PolarHBondContact N-O 2.75Å
234	C	93.9	Very high	91.6	Very high	0 Å²	0	75.1 Å²	75.1	0%	0	36%	0.361	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	144.7	-173.8	-59.9	0	0	0	0	110.1	M249 F348 S349	C234-M249 HydrophobicContact CB-CB 4.13Å; C234-M249 PolarHBondContact N-O 3.42Å; C234-M249 PolarHBondContact O-N 3.2Å; C234-F348 HydrophobicContact CB-CB 4.35Å; C234-F348 HydrophobicContact CB-CD1 3.83Å; C234-S349 CarbonylContact C-O 3.54Å; C234-S349 VanDerWaalsContact CA-O 3.24Å; C234-S349 WeakPolarHBondContact CA-O 3.46Å
235	L	92	Very high	91.3	Very high	29 Å²	29	73.2 Å²	73.2	15%	0.152	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	127.2	170.5	-178.1	67.5	0	0	0	108.8	P246 S349 Y351 L377	L235-P246 HydrophobicContact CD1-CB 4.32Å; L235-S349 PolarHBondContact N-O 2.8Å; L235-S349 PolarHBondContact O-N 2.82Å; L235-Y351 HydrophobicContact CB-CD1 4.23Å; L235-L377 HydrophobicContact CD1-CD1 3.52Å; L235-L377 HydrophobicContact CD1-CG 4.37Å
236	W	92.6	Very high	91.1	Very high	28 Å²	28	72.3 Å²	72.3	11%	0.106	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.6	108.4	165.3	174.7	26.4	0	0	0	108.5	D238 P246 R247 M249 F278 R346 F348	W236-D238 HydrophobicContact CZ2-CB 3.86Å; W236-P246 WeakPolarHBondContact O-CA 3.33Å; W236-R247 HydrophobicContact CE3-CB 4.45Å; W236-R247 HydrophobicContact CE3-CG 4.48Å; W236-R247 PolarHBondContact N-O 2.8Å; W236-R247 PolarHBondContact O-N 3.02Å; W236-M249 HydrophobicContact CE3-CE 3.77Å; W236-M249 HydrophobicContact CZ3-CE 4.36Å; W236-F278 HydrophobicContact CE3-CZ 4.29Å; W236-F278 HydrophobicContact CZ3-CE2 4.23Å; W236-F278 AromaticContact CZ3-CZ 3.99Å; W236-F278 HydrophobicContact CZ3-CZ 3.99Å; W236-R346 HydrophobicContact CD2-CB 4.46Å; W236-R346 HydrophobicContact CH2-CG 4.4Å; W236-R346 HydrophobicContact CZ2-CG 3.99Å; W236-F348 HydrophobicContact CB-CD2 3.89Å; W236-F348 HydrophobicContact CB-CE2 3.68Å; W236-F348 HydrophobicContact CB-CG 4.44Å; W236-F348 HydrophobicContact CB-CZ 4.1Å; W236-F348 HydrophobicContact CD2-CE2 4.03Å; W236-F348 HydrophobicContact CE3-CE2 4.27Å; W236-F348 HydrophobicContact CE3-CZ 4.47Å; W236-F348 HydrophobicContact CG-CD2 4.11Å; W236-F348 AromaticContact CG-CE2 3.75Å; W236-F348 HydrophobicContact CG-CE2 3.75Å; W236-F348 HydrophobicContact CG-CZ 4.48Å
237	D	88.9	Confident	90.9	Very high	94 Å²	94	71.1 Å²	71.1	50%	0.503	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.1	104.6	176	-167	-6.8	0	0	0	109.5	T239	D237-T239 VanDerWaalsContact OD1-CB 3.32Å; D237-T239 WeakPolarHBondContact OD1-CB 3.13Å; D237-T239 WeakPolarHBondContact OD1-CG2 3.47Å; D237-T239 PolarHBondContact OD1-N 2.88Å; D237-T239 PolarHBondContact OD1-OG1 2.94Å
238	D	89.4	Confident	90.8	Very high	33 Å²	33	64.1 Å²	64.1	18%	0.176	32%	0.316	C	S	.	.			trans	-106	15.7	176.6	-164.8	27.4	0	0	0	111.6	W236 E240 S241 G244	W236-D238 HydrophobicContact CZ2-CB 3.86Å; D238-E240 PolarHBondContact O-N 2.98Å; D238-S241 WeakPolarHBondContact O-CB 3.12Å; D238-S241 PolarHBondContact O-N 3.15Å; D238-S241 WeakPolarHBondContact OD1-CB 3.39Å; D238-S241 PolarHBondContact OD1-OG 3.02Å; D238-G244 CarbonylContact O-C 3.56Å; D238-G244 VanDerWaalsContact O-CA 3.24Å; D238-G244 WeakPolarHBondContact O-CA 3.45Å
239	T	86	Confident	90.7	Very high	71 Å²	71	60.7 Å²	60.7	44%	0.436	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.3	-17.2	-175.4	51.9	0	0	0	0	114.6	D237 S241 P246	D237-T239 VanDerWaalsContact OD1-CB 3.32Å; D237-T239 WeakPolarHBondContact OD1-CB 3.13Å; D237-T239 WeakPolarHBondContact OD1-CG2 3.47Å; D237-T239 PolarHBondContact OD1-N 2.88Å; D237-T239 PolarHBondContact OD1-OG1 2.94Å; T239-S241 VanDerWaalsContact C-N 3.3Å; T239-P246 HydrophobicContact CG2-CG 4.27Å
240	E	85.6	Confident	90.7	Very high	196 Å²	196	60.5 Å²	60.5	92%	0.916	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.2	-24.4	174	-63.4	-176.2	175.2	0	0	112.9	D238	D238-E240 PolarHBondContact O-N 2.98Å
241	S	89.4	Confident	90.6	Very high	57 Å²	57	60.5 Å²	60.5	40%	0.399	30%	0.298	S	S	.	.	S	Bend	trans	-76.3	147.1	176.1	-66.8	0	0	0	0	110.9	D238 T239 Y243 G244	D238-S241 WeakPolarHBondContact O-CB 3.12Å; D238-S241 PolarHBondContact O-N 3.15Å; D238-S241 WeakPolarHBondContact OD1-CB 3.39Å; D238-S241 PolarHBondContact OD1-OG 3.02Å; T239-S241 VanDerWaalsContact C-N 3.3Å; S241-Y243 PolarHBondContact O-N 3.35Å; S241-G244 PolarHBondContact O-N 2.92Å
242	L	86.8	Confident	90.7	Very high	149 Å²	149	56.7 Å²	56.7	78%	0.78	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-34.7	-172.4	-177.1	64.6	0	0	0	115.2
243	Y	85.6	Confident	90.7	Very high	210 Å²	210	56.6 Å²	56.6	82%	0.824	29%	0.285	S	S	*	.	T	Hydrogen-bonded Turn	trans	-126.7	21.9	177	-53.8	-68.5	0	0	0	111.2	S241	S241-Y243 PolarHBondContact O-N 3.35Å
244	G	84.9	Confident	90.9	Very high	19 Å²	19	56.1 Å²	56.1	20%	0.196	28%	0.282	C	S	.	.			trans	-79.3	141	-176.5	0	0	0	0	0	111	D238 S241	D238-G244 CarbonylContact O-C 3.56Å; D238-G244 VanDerWaalsContact O-CA 3.24Å; D238-G244 WeakPolarHBondContact O-CA 3.45Å; S241-G244 PolarHBondContact O-N 2.92Å
245	D	86.3	Confident	91	Very high	50 Å²	50	56.2 Å²	56.2	27%	0.267	28%	0.283	S	S	.	.			trans	-123.9	151.5	-179.9	56.3	-13.3	0	0	0	109.3	R247 R272	D245-R247 WeakPolarHBondContact O-CG 3.12Å; D245-R247 PolarHBondContact O-N 3Å; D245-R247 IonicContact OD1-CZ 2.76Å; D245-R247 IonicContact OD1-NE 3.28Å; D245-R247 PolarHBondContact OD1-NE 2.83Å; D245-R247 IonicContact OD1-NH2 3.92Å; D245-R272 IonicContact OD1-CZ 2.67Å; D245-R272 IonicContact OD1-NH2 3.13Å; D245-R272 PolarHBondContact OD1-NH2 3.49Å; D245-R272 IonicContact OD2-CZ 3.37Å; D245-R272 VanDerWaalsContact OD2-CZ 3.31Å; D245-R272 IonicContact OD2-NE 2.88Å; D245-R272 PolarHBondContact OD2-NE 3.34Å; D245-R272 IonicContact OD2-NH2 3.44Å; D245-R272 PolarHBondContact OD2-NH2 2.91Å
246	P	88.4	Confident	91.1	Very high	35 Å²	35	55.5 Å²	55.5	23%	0.227	28%	0.281	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.9	124.3	170.8	26.8	-32	0	0	0	109.9	L235 W236 T239 L377	L235-P246 HydrophobicContact CD1-CB 4.32Å; W236-P246 WeakPolarHBondContact O-CA 3.33Å; T239-P246 HydrophobicContact CG2-CG 4.27Å; P246-L377 HydrophobicContact CB-CD1 4.29Å; P246-L377 HydrophobicContact CB-CD2 3.39Å; P246-L377 HydrophobicContact CB-CG 4.15Å; P246-L377 HydrophobicContact CG-CD2 3.06Å; P246-L377 HydrophobicContact CG-CG 4.28Å
247	R	89.6	Confident	91.1	Very high	48 Å²	48	57 Å²	57	18%	0.181	29%	0.291	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.9	130.9	-174.7	-57.2	-178.9	-163.9	-170.9	4.4	111.8	W236 D245 M249 R272	W236-R247 HydrophobicContact CE3-CB 4.45Å; W236-R247 HydrophobicContact CE3-CG 4.48Å; W236-R247 PolarHBondContact N-O 2.8Å; W236-R247 PolarHBondContact O-N 3.02Å; D245-R247 WeakPolarHBondContact O-CG 3.12Å; D245-R247 PolarHBondContact O-N 3Å; D245-R247 IonicContact OD1-CZ 2.76Å; D245-R247 IonicContact OD1-NE 3.28Å; D245-R247 PolarHBondContact OD1-NE 2.83Å; D245-R247 IonicContact OD1-NH2 3.92Å; R247-M249 HydrophobicContact CB-CE 3.67Å; R247-M249 HydrophobicContact CG-CE 4.45Å; R247-R272 VanDerWaalsContact CZ-CZ 3.42Å; R247-R272 VanDerWaalsContact NE-CZ 3.32Å; R247-R272 VanDerWaalsContact NE-NH1 3.13Å
248	E	91.2	Very high	91.4	Very high	68 Å²	68	54 Å²	54	32%	0.318	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87	129	175.6	-65.7	-175.6	168.9	0	0	110.5	I265 L377	E248-I265 HydrophobicContact CB-CB 4.09Å; E248-I265 HydrophobicContact CB-CD1 4.31Å; E248-I265 PolarHBondContact O-N 2.97Å; E248-L377 HydrophobicContact CG-CD1 4.05Å
249	M	93.2	Very high	91.7	Very high	1 Å²	1	53.1 Å²	53.1	1%	0.005	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.3	143	-171.9	-59.9	-70.9	-174.5	0	0	110	C234 W236 R247 I262 R263 E264 F278 F348	C234-M249 HydrophobicContact CB-CB 4.13Å; C234-M249 PolarHBondContact N-O 3.42Å; C234-M249 PolarHBondContact O-N 3.2Å; W236-M249 HydrophobicContact CE3-CE 3.77Å; W236-M249 HydrophobicContact CZ3-CE 4.36Å; R247-M249 HydrophobicContact CB-CE 3.67Å; R247-M249 HydrophobicContact CG-CE 4.45Å; M249-I262 HydrophobicContact CB-CG2 4.27Å; M249-I262 HydrophobicContact SD-CG2 4.49Å; M249-R263 CarbonylContact C-O 3.17Å; M249-R263 WeakPolarHBondContact CA-O 3.13Å; M249-E264 HydrophobicContact CE-CB 4.26Å; M249-E264 HydrophobicContact CE-CG 3.88Å; M249-E264 HydrophobicContact SD-CB 3.66Å; M249-E264 HydrophobicContact SD-CG 3.77Å; M249-F278 HydrophobicContact CE-CD2 3.9Å; M249-F278 HydrophobicContact CE-CE2 3.78Å; M249-F278 HydrophobicContact CE-CG 4.37Å; M249-F278 HydrophobicContact CE-CZ 4.13Å; M249-F278 HydrophobicContact SD-CD2 4.33Å; M249-F278 HydrophobicContact SD-CG 4.3Å; M249-F348 HydrophobicContact CB-CD1 4.08Å; M249-F348 HydrophobicContact CB-CE1 3.54Å; M249-F348 HydrophobicContact CB-CZ 4.4Å; M249-F348 HydrophobicContact CE-CZ 4.24Å; M249-F348 HydrophobicContact CG-CD1 4.23Å; M249-F348 HydrophobicContact CG-CE1 3.41Å; M249-F348 VanDerWaalsContact CG-CE1 3.41Å; M249-F348 HydrophobicContact CG-CZ 3.78Å; M249-F348 HydrophobicContact SD-CE1 4.28Å; M249-F348 HydrophobicContact SD-CZ 4.32Å
250	I	95.4	Very high	92.2	Very high	35 Å²	35	49.8 Å²	49.8	18%	0.179	25%	0.25	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.6	172.2	-59.5	173.3	0	0	0	107.6	R231 F233 N252 I262 R263 I265	R231-I250 HydrophobicContact CG-CG2 3.73Å; F233-I250 HydrophobicContact CD1-CG1 4.21Å; F233-I250 HydrophobicContact CE1-CG1 4.36Å; I250-N252 WeakPolarHBondContact CG2-OD1 3.48Å; I250-I262 CarbonylContact O-C 3.52Å; I250-I262 WeakPolarHBondContact O-CA 3.47Å; I250-R263 HydrophobicContact CB-CB 4.49Å; I250-R263 PolarHBondContact N-O 2.85Å; I250-R263 PolarHBondContact O-N 2.95Å; I250-I265 HydrophobicContact CD1-CD1 3.78Å; I250-I265 HydrophobicContact CD1-CG1 3.67Å; I250-I265 HydrophobicContact CG1-CD1 3.67Å; I250-I265 HydrophobicContact CG1-CG1 3.73Å
251	L	96.6	Very high	92.8	Very high	0 Å²	0	41.6 Å²	41.6	0%	0	21%	0.212	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	117.9	173.8	-173.9	159.8	0	0	0	109	R231 F232 I260 I262 L335 I341	R231-L251 WeakPolarHBondContact CA-O 3.34Å; F232-L251 HydrophobicContact CB-CB 4.31Å; F232-L251 HydrophobicContact CD2-CD2 4.01Å; F232-L251 PolarHBondContact N-O 2.93Å; F232-L251 PolarHBondContact O-N 3.04Å; L251-I260 HydrophobicContact CD1-CG2 4.1Å; L251-I260 HydrophobicContact CD2-CG1 4.33Å; L251-I260 HydrophobicContact CD2-CG2 3.88Å; L251-I260 HydrophobicContact CG-CG2 3.68Å; L251-I262 HydrophobicContact CD1-CD1 4.49Å; L251-I262 HydrophobicContact CG-CG1 4.24Å; L251-L335 HydrophobicContact CD2-CD1 4.32Å; L251-I341 HydrophobicContact CD1-CD1 3.57Å
252	N	97.1	Very high	93.1	Very high	22 Å²	22	38.9 Å²	38.9	12%	0.118	19%	0.193	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.1	175.1	-65.2	-29.7	0	0	0	109.2	V229 I250 F254 I260 E261	V229-N252 HydrophobicContact CG1-CB 3.83Å; I250-N252 WeakPolarHBondContact CG2-OD1 3.48Å; N252-F254 HydrophobicContact CB-CE2 4.12Å; N252-F254 HydrophobicContact CB-CZ 4.34Å; N252-I260 CarbonylContact O-C 3.59Å; N252-I260 VanDerWaalsContact O-CA 3.3Å; N252-I260 WeakPolarHBondContact O-CA 3.48Å; N252-E261 HydrophobicContact CB-CB 4.39Å; N252-E261 PolarHBondContact N-O 2.8Å; N252-E261 PolarHBondContact O-N 3.33Å
253	Y	97.5	Very high	93.5	Very high	0 Å²	0	37.2 Å²	37.2	0%	0	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	117.8	174	-176.3	-83.5	0	0	0	109.8	V229 L230 L255 D258 T259 I260 K331 D332 L335	V229-Y253 CarbonylContact C-O 3.6Å; V229-Y253 WeakPolarHBondContact CA-O 3.3Å; L230-Y253 HydrophobicContact CD1-CD1 4.16Å; L230-Y253 PolarHBondContact N-O 3.05Å; L230-Y253 PolarHBondContact O-N 2.66Å; Y253-L255 HydrophobicContact CD1-CD2 3.9Å; Y253-L255 HydrophobicContact CE1-CD2 3.75Å; Y253-D258 WeakPolarHBondContact OH-CA 3.43Å; Y253-D258 VanDerWaalsContact OH-CB 3.23Å; Y253-D258 WeakPolarHBondContact OH-CB 3.16Å; Y253-D258 PolarHBondContact OH-OD1 2.91Å; Y253-T259 WeakPolarHBondContact CA-O 3.41Å; Y253-I260 HydrophobicContact CD2-CD1 3.88Å; Y253-I260 HydrophobicContact CD2-CG1 3.46Å; Y253-I260 VanDerWaalsContact CD2-CG1 3.46Å; Y253-I260 HydrophobicContact CE2-CD1 4.32Å; Y253-I260 HydrophobicContact CE2-CG1 4.17Å; Y253-I260 HydrophobicContact CG-CG1 4.37Å; Y253-K331 WeakPolarHBondContact OH-CA 3.45Å; Y253-D332 HydrophobicContact CD1-CB 4.32Å; Y253-D332 HydrophobicContact CE1-CB 3.83Å; Y253-D332 PolarHBondContact OH-N 2.84Å; Y253-L335 HydrophobicContact CD2-CD1 3.4Å; Y253-L335 VanDerWaalsContact CD2-CD1 3.4Å; Y253-L335 HydrophobicContact CE2-CD1 4.08Å; Y253-L335 HydrophobicContact CG-CD1 3.85Å
254	F	97.4	Very high	93.9	Very high	34 Å²	34	29 Å²	29	15%	0.149	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91	114.3	-178.3	-62.8	-92.1	0	0	0	110.4	V229 N252 A256 D257 D258 T259 E261 R281	V229-F254 HydrophobicContact CG1-CD1 4.34Å; V229-F254 HydrophobicContact CG1-CE1 4.29Å; V229-F254 HydrophobicContact CG2-CD1 3.52Å; V229-F254 HydrophobicContact CG2-CE1 3.66Å; V229-F254 HydrophobicContact CG2-CG 4.42Å; N252-F254 HydrophobicContact CB-CE2 4.12Å; N252-F254 HydrophobicContact CB-CZ 4.34Å; F254-A256 PolarHBondContact O-N 3.33Å; F254-D257 WeakPolarHBondContact CB-OD1 3.32Å; F254-D257 PolarHBondContact O-N 3.25Å; F254-D258 WeakPolarHBondContact O-CA 3.43Å; F254-D258 PolarHBondContact O-N 3.44Å; F254-T259 PolarHBondContact N-O 3.12Å; F254-E261 HydrophobicContact CE2-CB 3.77Å; F254-E261 WeakPolarHBondContact CZ-OE2 3.24Å; F254-R281 HydrophobicContact CD2-CG 4.05Å; F254-R281 HydrophobicContact CE2-CG 4.07Å
255	L	95.9	Very high	94.2	Very high	2 Å²	2	31 Å²	31	1%	0.01	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-22.6	-177.4	-70.4	-176.2	0	0	0	113.5	Q221 H225 H228 L230 Y253 D257 D332 Y360	Q221-L255 WeakPolarHBondContact CG-O 3.4Å; Q221-L255 PolarHBondContact NE2-O 2.89Å; H225-L255 HydrophobicContact CB-CB 3.62Å; H228-L255 HydrophobicContact CB-CB 4.23Å; H228-L255 HydrophobicContact CB-CD1 3.77Å; H228-L255 HydrophobicContact CB-CG 4.33Å; H228-L255 PolarHBondContact O-N 3.36Å; H228-L255 VanDerWaalsContact O-N 3.13Å; L230-L255 HydrophobicContact CD1-CD2 3.89Å; L230-L255 HydrophobicContact CD2-CD1 4.35Å; L230-L255 HydrophobicContact CG-CD1 4.5Å; L230-L255 HydrophobicContact CG-CD2 4.13Å; L230-L255 HydrophobicContact CG-CG 4.23Å; Y253-L255 HydrophobicContact CD1-CD2 3.9Å; Y253-L255 HydrophobicContact CE1-CD2 3.75Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 2.63Å; L255-D332 HydrophobicContact CD2-CB 4.35Å; L255-Y360 HydrophobicContact CD1-CD2 3.79Å; L255-Y360 HydrophobicContact CD1-CE1 4.33Å; L255-Y360 HydrophobicContact CD1-CE2 3.31Å; L255-Y360 HydrophobicContact CD1-CG 4.46Å; L255-Y360 HydrophobicContact CD2-CE1 4.11Å; L255-Y360 HydrophobicContact CD2-CE2 4.32Å; L255-Y360 WeakPolarHBondContact CD2-OH 3.33Å; L255-Y360 HydrophobicContact CG-CE2 4.49Å
256	A	94.7	Very high	94.3	Very high	14 Å²	14	31.2 Å²	31.2	12%	0.116	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.2	-27.8	-178.8	0	0	0	0	0	113.8	Q221 F222 F254	Q221-A256 WeakPolarHBondContact CG-O 3.39Å; F222-A256 HydrophobicContact CD2-CB 4.29Å; F254-A256 PolarHBondContact O-N 3.33Å
257	D	93.7	Very high	94.2	Very high	59 Å²	59	33.5 Å²	33.5	32%	0.316	17%	0.166	S	C	.	.	T	Hydrogen-bonded Turn	trans	-145	8.6	-175.4	66.7	-10.5	0	0	0	115.1	F254 L255 T259 R281	F254-D257 WeakPolarHBondContact CB-OD1 3.32Å; F254-D257 PolarHBondContact O-N 3.25Å; L255-D257 VanDerWaalsContact C-N 3.31Å; L255-D257 PolarHBondContact O-N 2.63Å; D257-T259 VanDerWaalsContact C-N 3.31Å; D257-T259 HydrophobicContact CB-CG2 4.39Å; D257-T259 VanDerWaalsContact CG-OG1 3.26Å; D257-T259 PolarHBondContact O-N 3.36Å; D257-T259 PolarHBondContact OD1-N 3.46Å; D257-T259 PolarHBondContact OD1-OG1 3.47Å; D257-T259 WeakPolarHBondContact OD2-CG2 3.47Å; D257-T259 PolarHBondContact OD2-OG1 2.69Å; D257-R281 IonicContact OD1-CZ 2.84Å; D257-R281 IonicContact OD1-NE 3.68Å; D257-R281 IonicContact OD1-NH2 3.42Å; D257-R281 PolarHBondContact OD1-NH2 2.93Å; D257-R281 IonicContact OD2-CZ 3.28Å; D257-R281 IonicContact OD2-NE 2.67Å; D257-R281 PolarHBondContact OD2-NE 3.19Å; D257-R281 IonicContact OD2-NH2 2.93Å; D257-R281 PolarHBondContact OD2-NH2 2.82Å
258	D	94.6	Very high	94	Very high	32 Å²	32	35.7 Å²	35.7	17%	0.171	20%	0.195	C	C	.	.	T	Hydrogen-bonded Turn	trans	55.4	42.3	180	-62.2	-39.1	0	0	0	113.4	Q221 Y253 F254	Q221-D258 PolarHBondContact NE2-OD1 2.85Å; Q221-D258 VanDerWaalsContact NE2-OD1 3.16Å; Q221-D258 PolarHBondContact NE2-OD2 2.82Å; Y253-D258 WeakPolarHBondContact OH-CA 3.43Å; Y253-D258 VanDerWaalsContact OH-CB 3.23Å; Y253-D258 WeakPolarHBondContact OH-CB 3.16Å; Y253-D258 PolarHBondContact OH-OD1 2.91Å; F254-D258 WeakPolarHBondContact O-CA 3.43Å; F254-D258 PolarHBondContact O-N 3.44Å
259	T	96.3	Very high	93.6	Very high	13 Å²	13	40.6 Å²	40.6	8%	0.08	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	152.2	177.9	59.3	0	0	0	0	111.8	Y253 F254 D257 R281 K283	Y253-T259 WeakPolarHBondContact CA-O 3.41Å; F254-T259 PolarHBondContact N-O 3.12Å; D257-T259 VanDerWaalsContact C-N 3.31Å; D257-T259 HydrophobicContact CB-CG2 4.39Å; D257-T259 VanDerWaalsContact CG-OG1 3.26Å; D257-T259 PolarHBondContact O-N 3.36Å; D257-T259 PolarHBondContact OD1-N 3.46Å; D257-T259 PolarHBondContact OD1-OG1 3.47Å; D257-T259 WeakPolarHBondContact OD2-CG2 3.47Å; D257-T259 PolarHBondContact OD2-OG1 2.69Å; T259-R281 HydrophobicContact CG2-CG 4.5Å; T259-R281 WeakPolarHBondContact OG1-CG 3.38Å; T259-R281 PolarHBondContact OG1-NE 3.46Å; T259-K283 HydrophobicContact CG2-CG 4.08Å
260	I	96.8	Very high	93.1	Very high	1 Å²	1	42.6 Å²	42.6	1%	0.005	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.7	179.4	-68.7	164.3	0	0	0	109.3	L251 N252 Y253 I262 R281 Q282 L284 L335	L251-I260 HydrophobicContact CD1-CG2 4.1Å; L251-I260 HydrophobicContact CD2-CG1 4.33Å; L251-I260 HydrophobicContact CD2-CG2 3.88Å; L251-I260 HydrophobicContact CG-CG2 3.68Å; N252-I260 CarbonylContact O-C 3.59Å; N252-I260 VanDerWaalsContact O-CA 3.3Å; N252-I260 WeakPolarHBondContact O-CA 3.48Å; Y253-I260 HydrophobicContact CD2-CD1 3.88Å; Y253-I260 HydrophobicContact CD2-CG1 3.46Å; Y253-I260 VanDerWaalsContact CD2-CG1 3.46Å; Y253-I260 HydrophobicContact CE2-CD1 4.32Å; Y253-I260 HydrophobicContact CE2-CG1 4.17Å; Y253-I260 HydrophobicContact CG-CG1 4.37Å; I260-I262 HydrophobicContact CG2-CD1 4.36Å; I260-I262 HydrophobicContact CG2-CG1 3.89Å; I260-R281 WeakPolarHBondContact O-CA 3.43Å; I260-Q282 PolarHBondContact N-O 2.71Å; I260-Q282 PolarHBondContact O-N 2.64Å; I260-L284 HydrophobicContact CB-CB 4.32Å; I260-L284 HydrophobicContact CD1-CB 3.74Å; I260-L284 HydrophobicContact CD1-CD2 4.08Å; I260-L335 HydrophobicContact CD1-CD1 4.38Å
261	E	96.3	Very high	92.7	Very high	24 Å²	24	44.8 Å²	44.8	11%	0.112	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	139.3	165.8	-176.5	-169.8	168.6	0	0	108.3	N252 F254 R263 C277 L279 R281	N252-E261 HydrophobicContact CB-CB 4.39Å; N252-E261 PolarHBondContact N-O 2.8Å; N252-E261 PolarHBondContact O-N 3.33Å; F254-E261 HydrophobicContact CE2-CB 3.77Å; F254-E261 WeakPolarHBondContact CZ-OE2 3.24Å; E261-R263 IonicContact OE1-CZ 3.62Å; E261-R263 VanDerWaalsContact OE1-CZ 3.25Å; E261-R263 IonicContact OE1-NE 3.85Å; E261-R263 PolarHBondContact OE1-NE 2.8Å; E261-R263 IonicContact OE1-NH2 2.71Å; E261-R263 PolarHBondContact OE1-NH2 2.98Å; E261-R263 IonicContact OE2-NH2 2.62Å; E261-C277 VanDerWaalsContact CG-SG 3.58Å; E261-L279 WeakPolarHBondContact CA-O 3.47Å; E261-R281 HydrophobicContact CB-CB 4.22Å
262	I	96.8	Very high	92.2	Very high	0 Å²	0	47.9 Å²	47.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	131.9	177	-56.1	175.5	0	0	0	108.9	M249 I250 L251 I260 C277 F278 L279 V343 F348	M249-I262 HydrophobicContact CB-CG2 4.27Å; M249-I262 HydrophobicContact SD-CG2 4.49Å; I250-I262 CarbonylContact O-C 3.52Å; I250-I262 WeakPolarHBondContact O-CA 3.47Å; L251-I262 HydrophobicContact CD1-CD1 4.49Å; L251-I262 HydrophobicContact CG-CG1 4.24Å; I260-I262 HydrophobicContact CG2-CD1 4.36Å; I260-I262 HydrophobicContact CG2-CG1 3.89Å; I262-C277 PolarHBondContact O-SG 3.33Å; I262-F278 HydrophobicContact CB-CB 4.49Å; I262-F278 HydrophobicContact CB-CD1 4.39Å; I262-F278 HydrophobicContact CG2-CB 4.18Å; I262-F278 HydrophobicContact CG2-CD1 3.98Å; I262-F278 HydrophobicContact CG2-CG 4.44Å; I262-F278 WeakPolarHBondContact O-CA 3.24Å; I262-F278 WeakPolarHBondContact O-CB 3.47Å; I262-F278 PolarHBondContact O-N 2.84Å; I262-L279 HydrophobicContact CB-CB 3.84Å; I262-L279 HydrophobicContact CD1-CB 4.22Å; I262-L279 HydrophobicContact CD1-CD2 4Å; I262-L279 HydrophobicContact CG1-CB 4.14Å; I262-L279 HydrophobicContact CG1-CD2 4.4Å; I262-L279 PolarHBondContact N-O 2.97Å; I262-L279 PolarHBondContact O-N 2.67Å; I262-V343 HydrophobicContact CD1-CB 4.35Å; I262-V343 HydrophobicContact CD1-CG1 3.59Å; I262-V343 HydrophobicContact CD1-CG2 3.76Å; I262-F348 HydrophobicContact CD1-CE1 4.36Å; I262-F348 HydrophobicContact CG2-CE1 3.9Å
263	R	95.1	Very high	91.8	Very high	115 Å²	115	53.5 Å²	53.5	43%	0.434	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.5	174.1	-62.1	-171	179.2	-176	-0.5	110	M249 I250 E261	M249-R263 CarbonylContact C-O 3.17Å; M249-R263 WeakPolarHBondContact CA-O 3.13Å; I250-R263 HydrophobicContact CB-CB 4.49Å; I250-R263 PolarHBondContact N-O 2.85Å; I250-R263 PolarHBondContact O-N 2.95Å; E261-R263 IonicContact OE1-CZ 3.62Å; E261-R263 VanDerWaalsContact OE1-CZ 3.25Å; E261-R263 IonicContact OE1-NE 3.85Å; E261-R263 PolarHBondContact OE1-NE 2.8Å; E261-R263 IonicContact OE1-NH2 2.71Å; E261-R263 PolarHBondContact OE1-NH2 2.98Å; E261-R263 IonicContact OE2-NH2 2.62Å
264	E	93.4	Very high	91.3	Very high	38 Å²	38	58.2 Å²	58.2	18%	0.178	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	135	174.4	-172.8	168.3	173.8	0	0	109	M249 I266 R272	M249-E264 HydrophobicContact CE-CB 4.26Å; M249-E264 HydrophobicContact CE-CG 3.88Å; M249-E264 HydrophobicContact SD-CB 3.66Å; M249-E264 HydrophobicContact SD-CG 3.77Å; E264-I266 HydrophobicContact CB-CG1 4.31Å; E264-I266 HydrophobicContact CG-CG1 4Å; E264-I266 PolarHBondContact O-N 3.3Å; E264-R272 IonicContact OE1-CZ 2.61Å; E264-R272 IonicContact OE1-NE 2.66Å; E264-R272 IonicContact OE1-NH1 2.7Å; E264-R272 PolarHBondContact OE1-NH1 2.66Å
265	I	91.2	Very high	90.7	Very high	61 Å²	61	60.6 Å²	60.6	31%	0.313	37%	0.366	S	S	.	.			trans	-86.1	103.4	167.9	-60.3	173.2	0	0	0	106	E248 I250 P267	E248-I265 HydrophobicContact CB-CB 4.09Å; E248-I265 HydrophobicContact CB-CD1 4.31Å; E248-I265 PolarHBondContact O-N 2.97Å; I250-I265 HydrophobicContact CD1-CD1 3.78Å; I250-I265 HydrophobicContact CD1-CG1 3.67Å; I250-I265 HydrophobicContact CG1-CD1 3.67Å; I250-I265 HydrophobicContact CG1-CG1 3.73Å; I265-P267 WeakPolarHBondContact O-CD 3.24Å
266	I	89.2	Confident	90.3	Very high	53 Å²	53	65.8 Å²	65.8	27%	0.272	40%	0.4	S	S	.	.			trans	-89	113.7	-179	-60.8	171.8	0	0	0	108.1	E264 S270 R272 D273	E264-I266 HydrophobicContact CB-CG1 4.31Å; E264-I266 HydrophobicContact CG-CG1 4Å; E264-I266 PolarHBondContact O-N 3.3Å; I266-S270 WeakPolarHBondContact CG2-OG 3.23Å; I266-R272 HydrophobicContact CG2-CB 4.14Å; I266-D273 VanDerWaalsContact CD1-O 3.24Å; I266-D273 WeakPolarHBondContact CD1-O 3.49Å
267	P	85.7	Confident	90.1	Very high	83 Å²	83	66.7 Å²	66.7	54%	0.539	41%	0.405	S	S	.	.			trans	-69.1	154.2	175.9	22.4	-22.4	0	0	0	110.3	I265 N269 S270	I265-P267 WeakPolarHBondContact O-CD 3.24Å; P267-N269 PolarHBondContact O-N 2.66Å; P267-S270 VanDerWaalsContact O-CB 3.32Å; P267-S270 WeakPolarHBondContact O-CB 3.43Å; P267-S270 PolarHBondContact O-N 2.9Å; P267-S270 PolarHBondContact O-OG 3.32Å; P267-S270 VanDerWaalsContact O-OG 3.09Å
268	A	84.7	Confident	90.2	Very high	94 Å²	94	66.1 Å²	66.1	78%	0.777	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	137.7	176.2	0	0	0	0	0	110.4	S270	A268-S270 PolarHBondContact O-N 3.25Å
269	N	83.5	Confident	90.2	Very high	171 Å²	171	65.5 Å²	65.5	91%	0.914	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	59	25.6	-179.4	-55	-33.1	0	0	0	115.6	P267 G271	P267-N269 PolarHBondContact O-N 2.66Å; N269-G271 PolarHBondContact O-N 2.86Å
270	S	83.7	Confident	90.1	Very high	44 Å²	44	74 Å²	74	31%	0.308	43%	0.427	S	S	.	.			trans	-68.9	-13.2	176.2	58.7	0	0	0	0	115.1	I266 P267 A268 R272	I266-S270 WeakPolarHBondContact CG2-OG 3.23Å; P267-S270 VanDerWaalsContact O-CB 3.32Å; P267-S270 WeakPolarHBondContact O-CB 3.43Å; P267-S270 PolarHBondContact O-N 2.9Å; P267-S270 PolarHBondContact O-OG 3.32Å; P267-S270 VanDerWaalsContact O-OG 3.09Å; A268-S270 PolarHBondContact O-N 3.25Å; S270-R272 PolarHBondContact O-N 3.42Å; S270-R272 PolarHBondContact OG-N 2.9Å
271	G	86.2	Confident	90.1	Very high	80 Å²	80	79.1 Å²	79.1	83%	0.825	45%	0.446	S	S	*	.	S	Bend	trans	75.8	7.6	-173.4	0	0	0	0	0	114.4	N269	N269-G271 PolarHBondContact O-N 2.86Å
272	R	86.3	Confident	90	Very high	66 Å²	66	80.1 Å²	80.1	25%	0.249	45%	0.451	C	S	.	.			trans	-96.5	142.6	178.2	-63.8	164.8	172.5	-76.8	-27.6	111	D245 R247 E264 I266 S270	D245-R272 IonicContact OD1-CZ 2.67Å; D245-R272 IonicContact OD1-NH2 3.13Å; D245-R272 PolarHBondContact OD1-NH2 3.49Å; D245-R272 IonicContact OD2-CZ 3.37Å; D245-R272 VanDerWaalsContact OD2-CZ 3.31Å; D245-R272 IonicContact OD2-NE 2.88Å; D245-R272 PolarHBondContact OD2-NE 3.34Å; D245-R272 IonicContact OD2-NH2 3.44Å; D245-R272 PolarHBondContact OD2-NH2 2.91Å; R247-R272 VanDerWaalsContact CZ-CZ 3.42Å; R247-R272 VanDerWaalsContact NE-CZ 3.32Å; R247-R272 VanDerWaalsContact NE-NH1 3.13Å; E264-R272 IonicContact OE1-CZ 2.61Å; E264-R272 IonicContact OE1-NE 2.66Å; E264-R272 IonicContact OE1-NH1 2.7Å; E264-R272 PolarHBondContact OE1-NH1 2.66Å; I266-R272 HydrophobicContact CG2-CB 4.14Å; S270-R272 PolarHBondContact O-N 3.42Å; S270-R272 PolarHBondContact OG-N 2.9Å
273	D	88.2	Confident	89.8	Confident	140 Å²	140	84.8 Å²	84.8	75%	0.749	47%	0.471	S	S	*	.			trans	-67.3	140.6	172.9	-69.9	-24.4	0	0	0	111	I266 V275	I266-D273 VanDerWaalsContact CD1-O 3.24Å; I266-D273 WeakPolarHBondContact CD1-O 3.49Å; D273-V275 VanDerWaalsContact C-N 3.29Å; D273-V275 HydrophobicContact CB-CG2 4.44Å; D273-V275 PolarHBondContact O-N 2.9Å
274	A	86.6	Confident	89.8	Confident	98 Å²	98	79.3 Å²	79.3	81%	0.81	45%	0.451	S	S	*	.			trans	-72.3	81.8	177.8	0	0	0	0	0	111.1
275	V	86.8	Confident	89.7	Confident	84 Å²	84	78.2 Å²	78.2	51%	0.509	45%	0.447	S	S	.	.			trans	-85.3	125.8	175.9	-172.5	0	0	0	0	109.1	D273 C277	D273-V275 VanDerWaalsContact C-N 3.29Å; D273-V275 HydrophobicContact CB-CG2 4.44Å; D273-V275 PolarHBondContact O-N 2.9Å; V275-C277 WeakPolarHBondContact CG1-O 3.3Å; V275-C277 PolarHBondContact O-N 3.16Å
276	P	87.1	Confident	89.7	Confident	111 Å²	111	80.4 Å²	80.4	72%	0.721	45%	0.451	S	S	*	.	S	Bend	trans	-66.1	-23.1	-175.1	25.6	-35.1	0	0	0	113.6
277	C	90.8	Very high	89.6	Confident	34 Å²	34	81.5 Å²	81.5	23%	0.23	46%	0.46	C	S	.	.			trans	-150.3	126.1	-174.2	-163	0	0	0	0	110.4	E261 I262 V275 L279	E261-C277 VanDerWaalsContact CG-SG 3.58Å; I262-C277 PolarHBondContact O-SG 3.33Å; V275-C277 WeakPolarHBondContact CG1-O 3.3Å; V275-C277 PolarHBondContact O-N 3.16Å; C277-L279 PolarHBondContact SG-O 2.98Å
278	F	93.9	Very high	89.5	Confident	47 Å²	47	81.8 Å²	81.8	21%	0.206	46%	0.46	C	S	.	.	S	Bend	trans	-77	-40.8	175	-176.9	-95.2	0	0	0	110.9	W236 M249 I262 F348	W236-F278 HydrophobicContact CE3-CZ 4.29Å; W236-F278 HydrophobicContact CZ3-CE2 4.23Å; W236-F278 AromaticContact CZ3-CZ 3.99Å; W236-F278 HydrophobicContact CZ3-CZ 3.99Å; M249-F278 HydrophobicContact CE-CD2 3.9Å; M249-F278 HydrophobicContact CE-CE2 3.78Å; M249-F278 HydrophobicContact CE-CG 4.37Å; M249-F278 HydrophobicContact CE-CZ 4.13Å; M249-F278 HydrophobicContact SD-CD2 4.33Å; M249-F278 HydrophobicContact SD-CG 4.3Å; I262-F278 HydrophobicContact CB-CB 4.49Å; I262-F278 HydrophobicContact CB-CD1 4.39Å; I262-F278 HydrophobicContact CG2-CB 4.18Å; I262-F278 HydrophobicContact CG2-CD1 3.98Å; I262-F278 HydrophobicContact CG2-CG 4.44Å; I262-F278 WeakPolarHBondContact O-CA 3.24Å; I262-F278 WeakPolarHBondContact O-CB 3.47Å; I262-F278 PolarHBondContact O-N 2.84Å; F278-F348 HydrophobicContact CD1-CZ 4.41Å; F278-F348 AromaticContact CE1-CZ 3.86Å; F278-F348 HydrophobicContact CE1-CZ 3.86Å; F278-F348 HydrophobicContact CZ-CZ 4.39Å
279	L	94.9	Very high	89.2	Confident	19 Å²	19	81.5 Å²	81.5	10%	0.099	45%	0.449	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137	114.8	173.5	-166.4	77.1	0	0	0	109.6	E261 I262 C277 Q282 L284 V343 Y344	E261-L279 WeakPolarHBondContact CA-O 3.47Å; I262-L279 HydrophobicContact CB-CB 3.84Å; I262-L279 HydrophobicContact CD1-CB 4.22Å; I262-L279 HydrophobicContact CD1-CD2 4Å; I262-L279 HydrophobicContact CG1-CB 4.14Å; I262-L279 HydrophobicContact CG1-CD2 4.4Å; I262-L279 PolarHBondContact N-O 2.97Å; I262-L279 PolarHBondContact O-N 2.67Å; C277-L279 PolarHBondContact SG-O 2.98Å; L279-Q282 HydrophobicContact CD2-CG 4.5Å; L279-L284 HydrophobicContact CD2-CD1 3.74Å; L279-V343 HydrophobicContact CD2-CG1 4.28Å; L279-Y344 HydrophobicContact CD1-CD2 4.02Å; L279-Y344 HydrophobicContact CD1-CE2 3.87Å; L279-Y344 HydrophobicContact CD2-CD2 4.47Å; L279-Y344 HydrophobicContact CD2-CE2 4.14Å
280	R	95.3	Very high	89.2	Confident	190 Å²	190	78.8 Å²	78.8	72%	0.717	44%	0.441	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-54.7	150	175.6	72	178.6	-176.5	174.7	-0.2	111	Q282	R280-Q282 WeakPolarHBondContact O-CG 3.49Å; R280-Q282 PolarHBondContact O-N 3.23Å; R280-Q282 VanDerWaalsContact O-N 3.07Å
281	R	95.9	Very high	89.3	Confident	109 Å²	109	84.5 Å²	84.5	41%	0.411	47%	0.466	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-51.2	113.6	176.3	-172.6	175.6	175.7	-179.7	2.1	111.2	F254 D257 T259 I260 E261	F254-R281 HydrophobicContact CD2-CG 4.05Å; F254-R281 HydrophobicContact CE2-CG 4.07Å; D257-R281 IonicContact OD1-CZ 2.84Å; D257-R281 IonicContact OD1-NE 3.68Å; D257-R281 IonicContact OD1-NH2 3.42Å; D257-R281 PolarHBondContact OD1-NH2 2.93Å; D257-R281 IonicContact OD2-CZ 3.28Å; D257-R281 IonicContact OD2-NE 2.67Å; D257-R281 PolarHBondContact OD2-NE 3.19Å; D257-R281 IonicContact OD2-NH2 2.93Å; D257-R281 PolarHBondContact OD2-NH2 2.82Å; T259-R281 HydrophobicContact CG2-CG 4.5Å; T259-R281 WeakPolarHBondContact OG1-CG 3.38Å; T259-R281 PolarHBondContact OG1-NE 3.46Å; I260-R281 WeakPolarHBondContact O-CA 3.43Å; E261-R281 HydrophobicContact CB-CB 4.22Å
282	Q	94.2	Very high	89.4	Confident	45 Å²	45	83.9 Å²	83.9	21%	0.21	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.1	168.2	177.7	66.9	-170	-19	0	0	110.9	I260 L279 R280 L284	I260-Q282 PolarHBondContact N-O 2.71Å; I260-Q282 PolarHBondContact O-N 2.64Å; L279-Q282 HydrophobicContact CD2-CG 4.5Å; R280-Q282 WeakPolarHBondContact O-CG 3.49Å; R280-Q282 PolarHBondContact O-N 3.23Å; R280-Q282 VanDerWaalsContact O-N 3.07Å; Q282-L284 PolarHBondContact O-N 2.87Å
283	K	93	Very high	89.6	Confident	98 Å²	98	87.2 Å²	87.2	43%	0.426	47%	0.47	S	S	.	.	P	Polyproline II helix	trans	-74.7	118.2	171.7	-64.2	-170.4	171.4	-174.5	0	109.7	T259 P285 F329	T259-K283 HydrophobicContact CG2-CG 4.08Å; K283-P285 WeakPolarHBondContact O-CD 3.49Å; K283-F329 HydrophobicContact CB-CB 4.36Å; K283-F329 HydrophobicContact CB-CD1 3.46Å; K283-F329 VanDerWaalsContact CB-CD1 3.46Å; K283-F329 HydrophobicContact CB-CD2 4.39Å; K283-F329 HydrophobicContact CB-CE1 3.75Å; K283-F329 HydrophobicContact CB-CG 3.82Å; K283-F329 HydrophobicContact CB-CZ 4.33Å; K283-F329 HydrophobicContact CD-CD2 4.19Å; K283-F329 HydrophobicContact CD-CE2 4.39Å; K283-F329 HydrophobicContact CD-CG 4.34Å
284	L	94.2	Very high	89.7	Confident	1 Å²	1	86.8 Å²	86.8	1%	0.005	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-81.2	119.9	-177.7	-172.3	70.2	0	0	0	110.1	I260 L279 Q282 F329 Y330 I341 V343 Y344	I260-L284 HydrophobicContact CB-CB 4.32Å; I260-L284 HydrophobicContact CD1-CB 3.74Å; I260-L284 HydrophobicContact CD1-CD2 4.08Å; L279-L284 HydrophobicContact CD2-CD1 3.74Å; Q282-L284 PolarHBondContact O-N 2.87Å; L284-F329 CarbonylContact O-C 3.4Å; L284-F329 WeakPolarHBondContact O-CA 3.38Å; L284-Y330 HydrophobicContact CB-CD2 4.08Å; L284-Y330 HydrophobicContact CD2-CD2 3.61Å; L284-Y330 HydrophobicContact CD2-CE2 3.95Å; L284-Y330 HydrophobicContact CG-CD2 3.78Å; L284-Y330 HydrophobicContact CG-CE2 4.22Å; L284-Y330 PolarHBondContact O-N 3.13Å; L284-I341 HydrophobicContact CD2-CG2 3.81Å; L284-V343 HydrophobicContact CD1-CG1 4.17Å; L284-V343 HydrophobicContact CD2-CG2 4.12Å; L284-Y344 HydrophobicContact CD1-CD2 4.05Å; L284-Y344 HydrophobicContact CD1-CE2 3.81Å
285	P	92.5	Very high	89.7	Confident	14 Å²	14	85.2 Å²	85.2	9%	0.091	47%	0.468	C	S	.	.	B	Isolated β-bridge	trans	-74.1	143.4	177.8	31.2	-34.6	0	0	0	110.8	K283 T287 N328 F329 Y344	K283-P285 WeakPolarHBondContact O-CD 3.49Å; P285-T287 VanDerWaalsContact C-N 3.34Å; P285-N328 WeakPolarHBondContact CA-O 3.49Å; P285-F329 HydrophobicContact CB-CD1 4.34Å; P285-F329 HydrophobicContact CB-CE1 4.36Å; P285-Y344 HydrophobicContact CG-CE1 3.84Å
286	R	90.6	Very high	89.7	Confident	107 Å²	107	84.1 Å²	84.1	40%	0.404	46%	0.461	S	S	.	.	S	Bend	trans	-68.4	-35.6	177.3	-65.8	-176.2	-177.8	-161.2	-0.5	112.6	N328 F329 Y330 D334	R286-N328 PolarHBondContact N-O 3.45Å; R286-F329 PolarHBondContact NE-O 3.39Å; R286-F329 VanDerWaalsContact NE-O 3.14Å; R286-Y330 HydrophobicContact CB-CE2 4.31Å; R286-Y330 HydrophobicContact CG-CD1 4.08Å; R286-Y330 HydrophobicContact CG-CD2 4.12Å; R286-Y330 HydrophobicContact CG-CE1 4.09Å; R286-Y330 HydrophobicContact CG-CE2 4.16Å; R286-Y330 HydrophobicContact CG-CG 4.1Å; R286-D334 IonicContact CZ-OD1 3.03Å; R286-D334 IonicContact CZ-OD2 3.58Å; R286-D334 VanDerWaalsContact CZ-OD2 3.26Å; R286-D334 IonicContact NE-OD2 3.65Å; R286-D334 PolarHBondContact NE-OD2 3.13Å; R286-D334 IonicContact NH1-OD1 3.48Å; R286-D334 IonicContact NH2-OD1 3.5Å; R286-D334 PolarHBondContact NH2-OD1 2.78Å; R286-D334 IonicContact NH2-OD2 3.63Å; R286-D334 PolarHBondContact NH2-OD2 3.41Å
287	T	86.9	Confident	89.7	Confident	76 Å²	76	83.4 Å²	83.4	47%	0.466	46%	0.455	S	S	.	.	S	Bend	trans	-118.3	143	-179.1	51.5	0	0	0	0	109.8	P285 T289	P285-T287 VanDerWaalsContact C-N 3.34Å; T287-T289 PolarHBondContact O-N 2.84Å
288	V	83.9	Confident	89.5	Confident	89 Å²	89	85.1 Å²	85.1	54%	0.539	46%	0.464	S	S	.	.			trans	-68.8	104.4	174.7	-174.7	0	0	0	0	108.7
289	T	79.2	Confident	88.9	Confident	88 Å²	88	88.3 Å²	88.3	54%	0.54	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-94.4	145.3	177.1	52.4	0	0	0	0	110.7	T287	T287-T289 PolarHBondContact O-N 2.84Å
290	P	83.4	Confident	88.5	Confident	114 Å²	114	91.2 Å²	91.2	74%	0.74	49%	0.493	S	S	*	.	P	Polyproline II helix	trans	-61.1	154.6	170.9	28	-34.4	0	0	0	110.6	P292	P290-P292 WeakPolarHBondContact O-CD 3.48Å
291	I	86.6	Confident	88.1	Confident	164 Å²	164	83.2 Å²	83.2	84%	0.841	47%	0.465	S	S	*	.	P	Polyproline II helix	trans	-62	122.2	177.3	-61.5	167.8	0	0	0	108.3
292	P	87	Confident	87.7	Confident	68 Å²	68	81.8 Å²	81.8	44%	0.442	47%	0.465	S	S	.	.	P	Polyproline II helix	trans	-72.3	152.3	-178.8	28.2	-32.5	0	0	0	111.3	P290 V296 V297	P290-P292 WeakPolarHBondContact O-CD 3.48Å; P292-V296 HydrophobicContact CB-CB 4.29Å; P292-V296 HydrophobicContact CB-CG1 4.37Å; P292-V297 HydrophobicContact CB-CG2 3.83Å; P292-V297 HydrophobicContact CG-CG2 3.41Å; P292-V297 VanDerWaalsContact CG-CG2 3.41Å
293	L	90.2	Very high	87.5	Confident	135 Å²	135	85.4 Å²	85.4	71%	0.707	49%	0.486	S	S	*	.	P	Polyproline II helix	trans	-64.3	148.9	173.6	-64.9	171.1	0	0	0	110.6	G295 V296	L293-G295 PolarHBondContact O-N 3.07Å; L293-V296 HydrophobicContact CB-CG2 3.91Å; L293-V296 WeakPolarHBondContact O-CB 3.37Å; L293-V296 WeakPolarHBondContact O-CG2 3.35Å; L293-V296 PolarHBondContact O-N 2.98Å; L293-V296 VanDerWaalsContact O-N 3.14Å
294	P	90.2	Very high	87.2	Confident	131 Å²	131	85.2 Å²	85.2	85%	0.851	49%	0.489	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.3	133	174.3	-25.6	34.4	0	0	0	111.6
295	G	86.7	Confident	86.9	Confident	65 Å²	65	88.2 Å²	88.2	67%	0.67	51%	0.508	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.5	-8.5	-179.3	0	0	0	0	0	115.7	L293	L293-G295 PolarHBondContact O-N 3.07Å
296	V	87.3	Confident	86.4	Confident	61 Å²	61	93.8 Å²	93.8	37%	0.37	53%	0.531	S	S	.	.	S	Bend	trans	-75.5	-36.4	174.5	176	0	0	0	0	111.9	P292 L293 T298	P292-V296 HydrophobicContact CB-CB 4.29Å; P292-V296 HydrophobicContact CB-CG1 4.37Å; L293-V296 HydrophobicContact CB-CG2 3.91Å; L293-V296 WeakPolarHBondContact O-CB 3.37Å; L293-V296 WeakPolarHBondContact O-CG2 3.35Å; L293-V296 PolarHBondContact O-N 2.98Å; L293-V296 VanDerWaalsContact O-N 3.14Å; V296-T298 PolarHBondContact O-N 3.09Å
297	V	86.3	Confident	85.9	Confident	97 Å²	97	91.7 Å²	91.7	59%	0.588	54%	0.542	S	S	*	.			trans	-93.6	97.6	-179.3	-175.1	0	0	0	0	109.3	P292	P292-V297 HydrophobicContact CB-CG2 3.83Å; P292-V297 HydrophobicContact CG-CG2 3.41Å; P292-V297 VanDerWaalsContact CG-CG2 3.41Å
298	T	86.7	Confident	85.4	Confident	69 Å²	69	93.9 Å²	93.9	42%	0.423	55%	0.547	S	S	.	.			trans	-134.5	143.9	173	63.3	0	0	0	0	110.3	V296 R300	V296-T298 PolarHBondContact O-N 3.09Å; T298-R300 WeakPolarHBondContact CB-O 3.32Å; T298-R300 PolarHBondContact O-N 3.04Å; T298-R300 PolarHBondContact OG1-O 3.17Å
299	D	83	Confident	84.6	Confident	114 Å²	114	93.6 Å²	93.6	61%	0.61	55%	0.547	S	S	*	.	S	Bend	trans	-61.2	-35.4	175.3	-78.6	3.4	0	0	0	110.7	M216 K218	M216-D299 WeakPolarHBondContact CE-O 3.27Å; M216-D299 HydrophobicContact SD-CB 4.2Å; K218-D299 IonicContact NZ-OD2 3.77Å; K218-D299 PolarHBondContact NZ-OD2 3.01Å
300	R	84.9	Confident	84.2	Confident	81 Å²	81	97.6 Å²	97.6	31%	0.306	56%	0.559	S	S	.	*	S	Bend	trans	-127.8	137.5	179.8	-69.9	177	178	-165.6	-8.8	110.5	Y213 E214 M216 T298 L317	Y213-R300 PolarHBondContact OH-NH1 2.73Å; Y213-R300 PolarHBondContact OH-NH2 2.65Å; Y213-R300 VanDerWaalsContact OH-NH2 3.12Å; E214-R300 PolarHBondContact O-NH2 3.11Å; M216-R300 HydrophobicContact CE-CG 3.42Å; M216-R300 VanDerWaalsContact CE-CG 3.42Å; M216-R300 HydrophobicContact SD-CG 3.67Å; M216-R300 PolarHBondContact SD-NE 3.45Å; T298-R300 WeakPolarHBondContact CB-O 3.32Å; T298-R300 PolarHBondContact O-N 3.04Å; T298-R300 PolarHBondContact OG1-O 3.17Å; R300-L317 HydrophobicContact CB-CD2 4.12Å; R300-L317 HydrophobicContact CG-CD2 4.4Å
301	T	88.1	Confident	83.7	Confident	21 Å²	21	103 Å²	103	13%	0.129	57%	0.565	C	S	.	*			trans	-82.3	136.7	166.3	48.8	0	0	0	0	109.3	D318 K321 A324	T301-D318 PolarHBondContact O-N 2.89Å; T301-D318 PolarHBondContact OG1-O 2.97Å; T301-K321 HydrophobicContact CG2-CB 4.44Å; T301-K321 WeakPolarHBondContact OG1-CA 3.47Å; T301-A324 HydrophobicContact CG2-CB 4.23Å
302	L	88	Confident	82.9	Confident	79 Å²	79	97.7 Å²	97.7	41%	0.414	55%	0.551	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-110.9	137.1	-178.8	-58.9	-176.2	0	0	0	109.4	Y315 V316 L317	L302-Y315 HydrophobicContact CD1-CD1 3.56Å; L302-Y315 HydrophobicContact CD1-CE1 4.14Å; L302-Y315 HydrophobicContact CD1-CG 3.87Å; L302-Y315 HydrophobicContact CD2-CG 4.41Å; L302-V316 CarbonylContact C-O 3.52Å; L302-V316 WeakPolarHBondContact CA-O 3.11Å; L302-L317 HydrophobicContact CD2-CD2 3.59Å
303	L	88.9	Confident	82.2	Confident	122 Å²	122	95.3 Å²	95.3	64%	0.639	54%	0.539	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80	-46.8	172.7	-175.6	67.9	0	0	0	110.5	V316 D318	L303-V316 HydrophobicContact CB-CB 4.29Å; L303-V316 HydrophobicContact CB-CG1 4.05Å; L303-V316 HydrophobicContact CD2-CG1 4.05Å; L303-V316 PolarHBondContact N-O 2.8Å; L303-D318 HydrophobicContact CB-CB 4.16Å
304	N	88	Confident	81.8	Confident	94 Å²	94	95.7 Å²	95.7	50%	0.503	54%	0.536	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-160.6	168.1	178.7	-154.4	-2.6	0	0	0	111.9	V316	N304-V316 PolarHBondContact O-N 3.07Å
305	V	86.6	Confident	81.6	Confident	64 Å²	64	96 Å²	96	39%	0.388	52%	0.522	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.5	129.8	174.2	-170.3	0	0	0	0	109.2	Y315	V305-Y315 HydrophobicContact CB-CD1 4.31Å; V305-Y315 HydrophobicContact CB-CE1 4.44Å; V305-Y315 HydrophobicContact CG1-CD1 3.91Å; V305-Y315 HydrophobicContact CG1-CE1 3.76Å; V305-Y315 HydrophobicContact CG2-CD1 3.86Å; V305-Y315 HydrophobicContact CG2-CE1 3.93Å
306	F	83.1	Confident	81.6	Confident	131 Å²	131	95.1 Å²	95.1	58%	0.575	50%	0.503	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.4	130.8	172.9	-78.3	-63.9	0	0	0	111.1	G313 H314 V316	F306-G313 CarbonylContact O-C 3.54Å; F306-G313 WeakPolarHBondContact O-CA 3.27Å; F306-H314 PolarHBondContact N-O 3.23Å; F306-H314 PolarHBondContact O-N 3.43Å; F306-V316 HydrophobicContact CD2-CG2 3.44Å; F306-V316 VanDerWaalsContact CD2-CG2 3.44Å; F306-V316 HydrophobicContact CE2-CG2 3.41Å; F306-V316 VanDerWaalsContact CE2-CG2 3.41Å
307	G	78.6	Confident	81.6	Confident	63 Å²	63	95.6 Å²	95.6	65%	0.649	50%	0.503	S	S	*	.	S	Bend	trans	79.9	168.9	178.6	0	0	0	0	0	113.7
308	H	76.1	Confident	81.7	Confident	122 Å²	122	92.1 Å²	92.1	57%	0.565	48%	0.481	S	S	*	.			trans	-76.3	131.7	179.3	-159	27.5	0	0	0	109.5	Q310 R311 G313	H308-Q310 PolarHBondContact O-N 3.34Å; H308-R311 PolarHBondContact O-N 3.16Å; H308-G313 PolarHBondContact O-N 3Å
309	P	68.2	Low	81.5	Confident	82 Å²	82	93.4 Å²	93.4	53%	0.532	49%	0.493	S	S	.	.	G	3₁₀ helix	trans	-54.9	-32	-173.8	-25.4	33.2	0	0	0	113.5	R311	P309-R311 VanDerWaalsContact C-N 3.33Å; P309-R311 PolarHBondContact O-N 3.03Å
310	Q	71.2	Confident	81.7	Confident	172 Å²	172	94.1 Å²	94.1	80%	0.804	50%	0.496	S	S	*	.	G	3₁₀ helix	trans	-77.2	-12.4	-179.3	-64.5	-178.7	-6.8	0	0	114.4	H308	H308-Q310 PolarHBondContact O-N 3.34Å
311	R	73	Confident	81.6	Confident	227 Å²	227	94.8 Å²	94.8	86%	0.857	50%	0.502	S	S	*	.	G	3₁₀ helix	trans	-114.9	32.7	-180	-68.2	-166.7	-176.9	-173	2.1	112.9	H308 P309	H308-R311 PolarHBondContact O-N 3.16Å; P309-R311 VanDerWaalsContact C-N 3.33Å; P309-R311 PolarHBondContact O-N 3.03Å
312	G	69.4	Low	81.4	Confident	54 Å²	54	100.1 Å²	100.1	56%	0.557	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	76	43.4	-179.1	0	0	0	0	0	112.8	H314	G312-H314 PolarHBondContact O-N 3.42Å
313	G	72.3	Confident	81.1	Confident	17 Å²	17	99.5 Å²	99.5	18%	0.175	54%	0.542	C	S	.	.	P	Polyproline II helix	trans	-56.6	138	173.2	0	0	0	0	0	111.6	F306 H308	F306-G313 CarbonylContact O-C 3.54Å; F306-G313 WeakPolarHBondContact O-CA 3.27Å; H308-G313 PolarHBondContact O-N 3Å
314	H	80.6	Confident	80.8	Confident	143 Å²	143	95.9 Å²	95.9	66%	0.662	53%	0.529	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100	137.5	178.5	-66.3	-63.2	0	0	0	110.3	F306 G312	F306-H314 PolarHBondContact N-O 3.23Å; F306-H314 PolarHBondContact O-N 3.43Å; G312-H314 PolarHBondContact O-N 3.42Å
315	Y	86.3	Confident	80.3	Confident	138 Å²	138	94.2 Å²	94.2	54%	0.541	52%	0.524	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	135.4	174.6	-59.1	-61.8	0	0	0	110.6	L302 V305	L302-Y315 HydrophobicContact CD1-CD1 3.56Å; L302-Y315 HydrophobicContact CD1-CE1 4.14Å; L302-Y315 HydrophobicContact CD1-CG 3.87Å; L302-Y315 HydrophobicContact CD2-CG 4.41Å; V305-Y315 HydrophobicContact CB-CD1 4.31Å; V305-Y315 HydrophobicContact CB-CE1 4.44Å; V305-Y315 HydrophobicContact CG1-CD1 3.91Å; V305-Y315 HydrophobicContact CG1-CE1 3.76Å; V305-Y315 HydrophobicContact CG2-CD1 3.86Å; V305-Y315 HydrophobicContact CG2-CE1 3.93Å
316	V	87.1	Confident	79.9	Confident	47 Å²	47	100.2 Å²	100.2	29%	0.285	54%	0.544	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.9	121.1	169.2	-173.4	0	0	0	0	107.6	L302 L303 N304 F306	L302-V316 CarbonylContact C-O 3.52Å; L302-V316 WeakPolarHBondContact CA-O 3.11Å; L303-V316 HydrophobicContact CB-CB 4.29Å; L303-V316 HydrophobicContact CB-CG1 4.05Å; L303-V316 HydrophobicContact CD2-CG1 4.05Å; L303-V316 PolarHBondContact N-O 2.8Å; N304-V316 PolarHBondContact O-N 3.07Å; F306-V316 HydrophobicContact CD2-CG2 3.44Å; F306-V316 VanDerWaalsContact CD2-CG2 3.44Å; F306-V316 HydrophobicContact CE2-CG2 3.41Å; F306-V316 VanDerWaalsContact CE2-CG2 3.41Å
317	L	87.5	Confident	79.4	Confident	70 Å²	70	99.9 Å²	99.9	37%	0.366	55%	0.549	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.2	139.1	178.4	-58.5	-177.9	0	0	0	110.4	Y213 R300 L302	Y213-L317 HydrophobicContact CD2-CD1 4.25Å; Y213-L317 HydrophobicContact CE2-CD1 3.96Å; R300-L317 HydrophobicContact CB-CD2 4.12Å; R300-L317 HydrophobicContact CG-CD2 4.4Å; L302-L317 HydrophobicContact CD2-CD2 3.59Å
318	D	87.5	Confident	79.8	Confident	24 Å²	24	101.1 Å²	101.1	13%	0.128	54%	0.54	C	S	.	.	P	Polyproline II helix	trans	-86.5	123.6	170.2	175.7	28.2	0	0	0	109.7	T301 L303 L320 K321 L322	T301-D318 PolarHBondContact O-N 2.89Å; T301-D318 PolarHBondContact OG1-O 2.97Å; L303-D318 HydrophobicContact CB-CB 4.16Å; D318-L320 PolarHBondContact OD1-N 3.49Å; D318-K321 PolarHBondContact OD2-N 3.32Å; D318-L322 PolarHBondContact OD2-N 3.11Å
319	S	84.4	Confident	80.6	Confident	97 Å²	97	98.7 Å²	98.7	68%	0.678	53%	0.528	S	S	*	.	S	Bend	trans	-77.5	-20.3	177.9	53.1	0	0	0	0	113.3
320	L	85.5	Confident	81.8	Confident	128 Å²	128	96.1 Å²	96.1	67%	0.67	51%	0.508	S	S	*	.	S	Bend	trans	-83.2	-16.9	-175.7	-63.8	176.6	0	0	0	113.3	D318 L322	D318-L320 PolarHBondContact OD1-N 3.49Å; L320-L322 HydrophobicContact CB-CD1 4.07Å; L320-L322 HydrophobicContact CB-CG 4.01Å; L320-L322 HydrophobicContact CD1-CD1 3.98Å; L320-L322 PolarHBondContact O-N 3.47Å
321	K	84.4	Confident	82.9	Confident	96 Å²	96	93.1 Å²	93.1	42%	0.417	49%	0.493	S	S	.	.			trans	52.1	38.9	-177.6	-60.7	-176.8	177.1	-174.1	0	112.8	E214 T301 D318 G323 A324	E214-K321 IonicContact OE1-NZ 3.96Å; E214-K321 PolarHBondContact OE1-NZ 2.91Å; E214-K321 WeakPolarHBondContact OE2-CE 3.13Å; E214-K321 IonicContact OE2-NZ 3.61Å; E214-K321 PolarHBondContact OE2-NZ 2.74Å; T301-K321 HydrophobicContact CG2-CB 4.44Å; T301-K321 WeakPolarHBondContact OG1-CA 3.47Å; D318-K321 PolarHBondContact OD2-N 3.32Å; K321-G323 PolarHBondContact O-N 2.84Å; K321-A324 HydrophobicContact CB-CB 4.02Å; K321-A324 WeakPolarHBondContact O-CB 3.37Å; K321-A324 PolarHBondContact O-N 2.93Å; K321-A324 VanDerWaalsContact O-N 3.11Å
322	L	83.3	Confident	83.9	Confident	132 Å²	132	82.7 Å²	82.7	69%	0.691	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.3	123.1	-179.5	-80	159.2	0	0	0	109.9	D318 L320 A324	D318-L322 PolarHBondContact OD2-N 3.11Å; L320-L322 HydrophobicContact CB-CD1 4.07Å; L320-L322 HydrophobicContact CB-CG 4.01Å; L320-L322 HydrophobicContact CD1-CD1 3.98Å; L320-L322 PolarHBondContact O-N 3.47Å; L322-A324 VanDerWaalsContact C-N 3.33Å
323	G	81.8	Confident	85	Confident	67 Å²	67	84 Å²	84	69%	0.691	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.3	3.7	-180	0	0	0	0	0	115.5	K321	K321-G323 PolarHBondContact O-N 2.84Å
324	A	81	Confident	85.9	Confident	46 Å²	46	85.4 Å²	85.4	38%	0.38	45%	0.451	S	S	.	.	P	Polyproline II helix	trans	-62.3	128.1	174.9	0	0	0	0	0	110.7	T301 K321 L322	T301-A324 HydrophobicContact CG2-CB 4.23Å; K321-A324 HydrophobicContact CB-CB 4.02Å; K321-A324 WeakPolarHBondContact O-CB 3.37Å; K321-A324 PolarHBondContact O-N 2.93Å; K321-A324 VanDerWaalsContact O-N 3.11Å; L322-A324 VanDerWaalsContact C-N 3.33Å
325	P	78.1	Confident	86.5	Confident	59 Å²	59	78.6 Å²	78.6	38%	0.383	42%	0.42	S	S	.	.	P	Polyproline II helix	trans	-65.3	148	178.1	26.8	-33.2	0	0	0	110.9	D327	P325-D327 PolarHBondContact O-N 2.87Å
326	K	78.8	Confident	86.8	Confident	189 Å²	189	75.7 Å²	75.7	82%	0.822	41%	0.413	S	S	*	.	P	Polyproline II helix	trans	-76.6	120.1	172.9	-67.5	-176.5	179.6	-179.4	0	109.4	N328	K326-N328 PolarHBondContact O-N 2.8Å
327	D	71.8	Confident	87	Confident	125 Å²	125	74.9 Å²	74.9	67%	0.668	41%	0.407	S	S	*	.			trans	-69	93.1	178.2	-78.3	-15.1	0	0	0	111.7	P325 F329	P325-D327 PolarHBondContact O-N 2.87Å; D327-F329 HydrophobicContact CB-CD2 4.19Å; D327-F329 HydrophobicContact CB-CE2 4.33Å
328	N	87.2	Confident	87.1	Confident	88 Å²	88	73.5 Å²	73.5	47%	0.471	41%	0.409	S	S	.	.			trans	-110.6	64.6	176.5	-80.8	-5.7	0	0	0	111.2	P285 R286 K326	P285-N328 WeakPolarHBondContact CA-O 3.49Å; R286-N328 PolarHBondContact N-O 3.45Å; K326-N328 PolarHBondContact O-N 2.8Å
329	F	92.4	Very high	87.3	Confident	71 Å²	71	73.7 Å²	73.7	31%	0.311	41%	0.414	S	S	.	.	B	Isolated β-bridge	trans	-101.9	154.4	178.4	-60.1	-73	0	0	0	111.9	K283 L284 P285 R286 D327	K283-F329 HydrophobicContact CB-CB 4.36Å; K283-F329 HydrophobicContact CB-CD1 3.46Å; K283-F329 VanDerWaalsContact CB-CD1 3.46Å; K283-F329 HydrophobicContact CB-CD2 4.39Å; K283-F329 HydrophobicContact CB-CE1 3.75Å; K283-F329 HydrophobicContact CB-CG 3.82Å; K283-F329 HydrophobicContact CB-CZ 4.33Å; K283-F329 HydrophobicContact CD-CD2 4.19Å; K283-F329 HydrophobicContact CD-CE2 4.39Å; K283-F329 HydrophobicContact CD-CG 4.34Å; L284-F329 CarbonylContact O-C 3.4Å; L284-F329 WeakPolarHBondContact O-CA 3.38Å; P285-F329 HydrophobicContact CB-CD1 4.34Å; P285-F329 HydrophobicContact CB-CE1 4.36Å; R286-F329 PolarHBondContact NE-O 3.39Å; R286-F329 VanDerWaalsContact NE-O 3.14Å; D327-F329 HydrophobicContact CB-CD2 4.19Å; D327-F329 HydrophobicContact CB-CE2 4.33Å
330	Y	94.4	Very high	87.6	Confident	28 Å²	28	73.3 Å²	73.3	11%	0.11	40%	0.404	C	S	.	.			trans	-67.9	139.1	168.3	-75	-77	0	0	0	110.3	L284 R286 D334 I341 N342	L284-Y330 HydrophobicContact CB-CD2 4.08Å; L284-Y330 HydrophobicContact CD2-CD2 3.61Å; L284-Y330 HydrophobicContact CD2-CE2 3.95Å; L284-Y330 HydrophobicContact CG-CD2 3.78Å; L284-Y330 HydrophobicContact CG-CE2 4.22Å; L284-Y330 PolarHBondContact O-N 3.13Å; R286-Y330 HydrophobicContact CB-CE2 4.31Å; R286-Y330 HydrophobicContact CG-CD1 4.08Å; R286-Y330 HydrophobicContact CG-CD2 4.12Å; R286-Y330 HydrophobicContact CG-CE1 4.09Å; R286-Y330 HydrophobicContact CG-CE2 4.16Å; R286-Y330 HydrophobicContact CG-CG 4.1Å; Y330-D334 WeakPolarHBondContact CA-OD2 3.42Å; Y330-D334 HydrophobicContact CD1-CB 3.83Å; Y330-I341 HydrophobicContact CD2-CG2 4.22Å; Y330-I341 HydrophobicContact CE1-CG2 4.19Å; Y330-I341 HydrophobicContact CE2-CG2 3.73Å; Y330-N342 PolarHBondContact OH-N 3.48Å; Y330-N342 VanDerWaalsContact OH-N 3.09Å
331	K	94.1	Very high	88	Confident	110 Å²	110	67.3 Å²	67.3	48%	0.478	37%	0.373	S	S	.	.			trans	-119.1	172.3	172.5	-64.3	-167.3	176.7	-167	0	110.1	Y253 N333 D334 L335	Y253-K331 WeakPolarHBondContact OH-CA 3.45Å; K331-N333 VanDerWaalsContact C-N 3.26Å; K331-N333 PolarHBondContact O-N 3.29Å; K331-D334 PolarHBondContact N-OD2 3.49Å; K331-D334 WeakPolarHBondContact O-CB 3.21Å; K331-D334 PolarHBondContact O-N 3.4Å; K331-L335 WeakPolarHBondContact O-CG 3.35Å
332	D	93.7	Very high	88.5	Confident	7 Å²	7	65.2 Å²	65.2	4%	0.037	37%	0.367	C	S	.	.	G	3₁₀ helix	trans	-53.6	-42	173.9	64.1	-50.6	0	0	0	111.8	L230 Y253 L255 D334 L335 Y360 Y361 K364 Y365	L230-D332 HydrophobicContact CD1-CB 3.95Å; Y253-D332 HydrophobicContact CD1-CB 4.32Å; Y253-D332 HydrophobicContact CE1-CB 3.83Å; Y253-D332 PolarHBondContact OH-N 2.84Å; L255-D332 HydrophobicContact CD2-CB 4.35Å; D332-D334 PolarHBondContact O-N 3.29Å; D332-L335 PolarHBondContact O-N 3.13Å; D332-Y360 HydrophobicContact CB-CE1 4.45Å; D332-Y360 PolarHBondContact OD2-OH 3.4Å; D332-Y361 PolarHBondContact O-OH 3.32Å; D332-K364 IonicContact OD1-NZ 3.8Å; D332-K364 IonicContact OD2-NZ 2.74Å; D332-K364 PolarHBondContact OD2-NZ 3.3Å; D332-Y365 WeakPolarHBondContact OD2-CE2 3.18Å; D332-Y365 PolarHBondContact OD2-OH 3.4Å
333	N	92.8	Very high	89	Confident	83 Å²	83	59 Å²	59	44%	0.444	33%	0.334	S	S	.	.	G	3₁₀ helix	trans	-55.1	-24.9	177.4	-50.6	55.8	0	0	0	114.8	K331 Y365	K331-N333 VanDerWaalsContact C-N 3.26Å; K331-N333 PolarHBondContact O-N 3.29Å; N333-Y365 VanDerWaalsContact ND2-CE1 3.33Å; N333-Y365 WeakPolarHBondContact ND2-CE1 3.47Å; N333-Y365 PolarHBondContact ND2-OH 3.37Å; N333-Y365 PolarHBondContact OD1-OH 3.11Å
334	D	92	Very high	89.5	Confident	46 Å²	46	60.4 Å²	60.4	25%	0.246	32%	0.319	C	S	.	.	G	3₁₀ helix	trans	-88.1	-13.1	-177.6	-52.8	-50.7	0	0	0	112.9	R286 Y330 K331 D332	R286-D334 IonicContact CZ-OD1 3.03Å; R286-D334 IonicContact CZ-OD2 3.58Å; R286-D334 VanDerWaalsContact CZ-OD2 3.26Å; R286-D334 IonicContact NE-OD2 3.65Å; R286-D334 PolarHBondContact NE-OD2 3.13Å; R286-D334 IonicContact NH1-OD1 3.48Å; R286-D334 IonicContact NH2-OD1 3.5Å; R286-D334 PolarHBondContact NH2-OD1 2.78Å; R286-D334 IonicContact NH2-OD2 3.63Å; R286-D334 PolarHBondContact NH2-OD2 3.41Å; Y330-D334 WeakPolarHBondContact CA-OD2 3.42Å; Y330-D334 HydrophobicContact CD1-CB 3.83Å; K331-D334 PolarHBondContact N-OD2 3.49Å; K331-D334 WeakPolarHBondContact O-CB 3.21Å; K331-D334 PolarHBondContact O-N 3.4Å; D332-D334 PolarHBondContact O-N 3.29Å
335	L	93.5	Very high	90	Very high	0 Å²	0	60.8 Å²	60.8	0%	0	33%	0.328	C	S	.	.			trans	-103.3	89.1	-169.5	-57.9	173.6	0	0	0	110.8	F232 L251 Y253 I260 K331 D332 I341 I350 Y361	F232-L335 HydrophobicContact CE1-CB 4.44Å; F232-L335 WeakPolarHBondContact CE1-O 3.5Å; F232-L335 HydrophobicContact CE2-CB 3.8Å; F232-L335 HydrophobicContact CE2-CD1 4.09Å; F232-L335 HydrophobicContact CZ-CB 3.73Å; F232-L335 VanDerWaalsContact CZ-O 3.24Å; F232-L335 WeakPolarHBondContact CZ-O 3.21Å; L251-L335 HydrophobicContact CD2-CD1 4.32Å; Y253-L335 HydrophobicContact CD2-CD1 3.4Å; Y253-L335 VanDerWaalsContact CD2-CD1 3.4Å; Y253-L335 HydrophobicContact CE2-CD1 4.08Å; Y253-L335 HydrophobicContact CG-CD1 3.85Å; I260-L335 HydrophobicContact CD1-CD1 4.38Å; K331-L335 WeakPolarHBondContact O-CG 3.35Å; D332-L335 PolarHBondContact O-N 3.13Å; L335-I341 HydrophobicContact CD2-CD1 3.53Å; L335-I341 HydrophobicContact CD2-CG1 3.94Å; L335-I350 HydrophobicContact CB-CD1 4.33Å; L335-I350 HydrophobicContact CD2-CD1 4.47Å; L335-Y361 VanDerWaalsContact O-CZ 3.28Å; L335-Y361 PolarHBondContact O-OH 2.91Å
336	I	92.1	Very high	90.6	Very high	76 Å²	76	62.7 Å²	62.7	39%	0.39	33%	0.327	S	S	.	.			trans	-123.6	149.8	-177.3	-55.3	170.3	0	0	0	109.8	G338 A339 I350	I336-G338 PolarHBondContact O-N 2.92Å; I336-A339 WeakPolarHBondContact O-CB 3.35Å; I336-A339 PolarHBondContact O-N 3.49Å; I336-I350 WeakPolarHBondContact O-CD1 3.48Å
337	I	91.5	Very high	91.3	Very high	31 Å²	31	60.2 Å²	60.2	16%	0.159	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.4	131.7	173.7	-59.1	-179.5	0	0	0	109.9	A339 F370 V373	I337-A339 VanDerWaalsContact C-N 3.33Å; I337-F370 HydrophobicContact CD1-CB 3.8Å; I337-F370 HydrophobicContact CD1-CD1 3.87Å; I337-F370 HydrophobicContact CD1-CG 4.35Å; I337-V373 HydrophobicContact CG2-CG2 4.32Å
338	G	88.8	Confident	92.3	Very high	40 Å²	40	54.3 Å²	54.3	41%	0.412	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	86.9	-9.3	-175.7	0	0	0	0	0	114.9	I336 I350	I336-G338 PolarHBondContact O-N 2.92Å; G338-I350 WeakPolarHBondContact CA-O 3.24Å; G338-I350 PolarHBondContact N-O 2.63Å
339	A	91.1	Very high	92.6	Very high	29 Å²	29	51.9 Å²	51.9	24%	0.24	28%	0.275	C	S	.	.	P	Polyproline II helix	trans	-71.7	146.8	176.2	0	0	0	0	0	111.7	I336 I337 I350	I336-A339 WeakPolarHBondContact O-CB 3.35Å; I336-A339 PolarHBondContact O-N 3.49Å; I337-A339 VanDerWaalsContact C-N 3.33Å; A339-I350 PolarHBondContact O-N 3.33Å
340	N	92.3	Very high	92.7	Very high	88 Å²	88	48.5 Å²	48.5	47%	0.471	26%	0.26	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.5	117.4	173.7	-68.1	-38.9	0	0	0	109.8	K347 F348 S349	N340-K347 HydrophobicContact CB-CG 4.26Å; N340-K347 VanDerWaalsContact CG-CE 3.49Å; N340-K347 VanDerWaalsContact ND2-CE 3.33Å; N340-K347 WeakPolarHBondContact ND2-CE 3.5Å; N340-F348 CarbonylContact C-O 3.57Å; N340-F348 VanDerWaalsContact CA-O 3.3Å; N340-F348 WeakPolarHBondContact CA-O 3.37Å; N340-S349 PolarHBondContact OD1-OG 3.2Å
341	I	93.5	Very high	92.6	Very high	2 Å²	2	49.3 Å²	49.3	1%	0.01	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	136.9	178.3	-57.3	157.2	0	0	0	109.3	L251 L284 Y330 L335 V343 F348 I350	L251-I341 HydrophobicContact CD1-CD1 3.57Å; L284-I341 HydrophobicContact CD2-CG2 3.81Å; Y330-I341 HydrophobicContact CD2-CG2 4.22Å; Y330-I341 HydrophobicContact CE1-CG2 4.19Å; Y330-I341 HydrophobicContact CE2-CG2 3.73Å; L335-I341 HydrophobicContact CD2-CD1 3.53Å; L335-I341 HydrophobicContact CD2-CG1 3.94Å; I341-V343 HydrophobicContact CG2-CG2 4.03Å; I341-F348 HydrophobicContact CB-CB 4.47Å; I341-F348 PolarHBondContact N-O 2.89Å; I341-F348 PolarHBondContact O-N 2.87Å; I341-I350 HydrophobicContact CD1-CD1 3.62Å; I341-I350 HydrophobicContact CD1-CG1 3.67Å; I341-I350 HydrophobicContact CG1-CD1 4.29Å; I341-I350 HydrophobicContact CG1-CG1 4.4Å
342	N	93.8	Very high	92.6	Very high	53 Å²	53	45.9 Å²	45.9	28%	0.283	25%	0.25	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.8	109.3	168.9	-173.4	2.9	0	0	0	110.9	Y330 G345	Y330-N342 PolarHBondContact OH-N 3.48Å; Y330-N342 VanDerWaalsContact OH-N 3.09Å; N342-G345 WeakPolarHBondContact OD1-CA 3.4Å; N342-G345 PolarHBondContact OD1-N 3.43Å
343	V	94.6	Very high	92.6	Very high	0 Å²	0	45.8 Å²	45.8	0%	0	25%	0.25	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.5	89.8	176.1	-175.5	0	0	0	0	109	I262 L279 L284 I341 G345 R346 F348	I262-V343 HydrophobicContact CD1-CB 4.35Å; I262-V343 HydrophobicContact CD1-CG1 3.59Å; I262-V343 HydrophobicContact CD1-CG2 3.76Å; L279-V343 HydrophobicContact CD2-CG1 4.28Å; L284-V343 HydrophobicContact CD1-CG1 4.17Å; L284-V343 HydrophobicContact CD2-CG2 4.12Å; I341-V343 HydrophobicContact CG2-CG2 4.03Å; V343-G345 PolarHBondContact O-N 2.76Å; V343-G345 VanDerWaalsContact O-N 3.15Å; V343-R346 PolarHBondContact N-O 2.84Å; V343-R346 WeakPolarHBondContact O-CB 3.46Å; V343-R346 PolarHBondContact O-N 2.79Å; V343-F348 HydrophobicContact CB-CD2 4.14Å; V343-F348 HydrophobicContact CB-CE2 4.18Å; V343-F348 HydrophobicContact CG2-CB 4.27Å; V343-F348 HydrophobicContact CG2-CD1 4.07Å; V343-F348 HydrophobicContact CG2-CD2 3.89Å; V343-F348 HydrophobicContact CG2-CE1 4.39Å; V343-F348 HydrophobicContact CG2-CE2 4.26Å; V343-F348 HydrophobicContact CG2-CG 3.82Å
344	Y	92.7	Very high	92.6	Very high	97 Å²	97	43.1 Å²	43.1	38%	0.38	24%	0.236	S	C	.	.	T	Hydrogen-bonded Turn	trans	49.5	39.1	-179.8	-67.7	-77.5	0	0	0	114.3	L279 L284 P285	L279-Y344 HydrophobicContact CD1-CD2 4.02Å; L279-Y344 HydrophobicContact CD1-CE2 3.87Å; L279-Y344 HydrophobicContact CD2-CD2 4.47Å; L279-Y344 HydrophobicContact CD2-CE2 4.14Å; L284-Y344 HydrophobicContact CD1-CD2 4.05Å; L284-Y344 HydrophobicContact CD1-CE2 3.81Å; P285-Y344 HydrophobicContact CG-CE1 3.84Å
345	G	89.9	Confident	92.8	Very high	55 Å²	55	46.4 Å²	46.4	57%	0.567	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	104	-15.7	-178.7	0	0	0	0	0	114.3	N342 V343	N342-G345 WeakPolarHBondContact OD1-CA 3.4Å; N342-G345 PolarHBondContact OD1-N 3.43Å; V343-G345 PolarHBondContact O-N 2.76Å; V343-G345 VanDerWaalsContact O-N 3.15Å
346	R	92.5	Very high	92.9	Very high	99 Å²	99	50 Å²	50	37%	0.374	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	127.4	-179.8	-58.4	148	-176.2	162.6	-0.3	110	W236 V343 F348	W236-R346 HydrophobicContact CD2-CB 4.46Å; W236-R346 HydrophobicContact CH2-CG 4.4Å; W236-R346 HydrophobicContact CZ2-CG 3.99Å; V343-R346 PolarHBondContact N-O 2.84Å; V343-R346 WeakPolarHBondContact O-CB 3.46Å; V343-R346 PolarHBondContact O-N 2.79Å; R346-F348 HydrophobicContact CB-CD2 4Å; R346-F348 HydrophobicContact CB-CE2 3.67Å; R346-F348 PolarHBondContact O-N 2.85Å
347	K	92.4	Very high	93	Very high	137 Å²	137	46.3 Å²	46.3	60%	0.596	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-88.1	106.3	-178.8	-171.3	-178.9	177.7	-173.3	0	110.2	N340	N340-K347 HydrophobicContact CB-CG 4.26Å; N340-K347 VanDerWaalsContact CG-CE 3.49Å; N340-K347 VanDerWaalsContact ND2-CE 3.33Å; N340-K347 WeakPolarHBondContact ND2-CE 3.5Å
348	F	94	Very high	93.1	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	131.7	178.2	-80.7	-138.3	0	0	0	108.9	C234 W236 M249 I262 F278 N340 I341 V343 R346	C234-F348 HydrophobicContact CB-CB 4.35Å; C234-F348 HydrophobicContact CB-CD1 3.83Å; W236-F348 HydrophobicContact CB-CD2 3.89Å; W236-F348 HydrophobicContact CB-CE2 3.68Å; W236-F348 HydrophobicContact CB-CG 4.44Å; W236-F348 HydrophobicContact CB-CZ 4.1Å; W236-F348 HydrophobicContact CD2-CE2 4.03Å; W236-F348 HydrophobicContact CE3-CE2 4.27Å; W236-F348 HydrophobicContact CE3-CZ 4.47Å; W236-F348 HydrophobicContact CG-CD2 4.11Å; W236-F348 AromaticContact CG-CE2 3.75Å; W236-F348 HydrophobicContact CG-CE2 3.75Å; W236-F348 HydrophobicContact CG-CZ 4.48Å; M249-F348 HydrophobicContact CB-CD1 4.08Å; M249-F348 HydrophobicContact CB-CE1 3.54Å; M249-F348 HydrophobicContact CB-CZ 4.4Å; M249-F348 HydrophobicContact CE-CZ 4.24Å; M249-F348 HydrophobicContact CG-CD1 4.23Å; M249-F348 HydrophobicContact CG-CE1 3.41Å; M249-F348 VanDerWaalsContact CG-CE1 3.41Å; M249-F348 HydrophobicContact CG-CZ 3.78Å; M249-F348 HydrophobicContact SD-CE1 4.28Å; M249-F348 HydrophobicContact SD-CZ 4.32Å; I262-F348 HydrophobicContact CD1-CE1 4.36Å; I262-F348 HydrophobicContact CG2-CE1 3.9Å; F278-F348 HydrophobicContact CD1-CZ 4.41Å; F278-F348 AromaticContact CE1-CZ 3.86Å; F278-F348 HydrophobicContact CE1-CZ 3.86Å; F278-F348 HydrophobicContact CZ-CZ 4.39Å; N340-F348 CarbonylContact C-O 3.57Å; N340-F348 VanDerWaalsContact CA-O 3.3Å; N340-F348 WeakPolarHBondContact CA-O 3.37Å; I341-F348 HydrophobicContact CB-CB 4.47Å; I341-F348 PolarHBondContact N-O 2.89Å; I341-F348 PolarHBondContact O-N 2.87Å; V343-F348 HydrophobicContact CB-CD2 4.14Å; V343-F348 HydrophobicContact CB-CE2 4.18Å; V343-F348 HydrophobicContact CG2-CB 4.27Å; V343-F348 HydrophobicContact CG2-CD1 4.07Å; V343-F348 HydrophobicContact CG2-CD2 3.89Å; V343-F348 HydrophobicContact CG2-CE1 4.39Å; V343-F348 HydrophobicContact CG2-CE2 4.26Å; V343-F348 HydrophobicContact CG2-CG 3.82Å; R346-F348 HydrophobicContact CB-CD2 4Å; R346-F348 HydrophobicContact CB-CE2 3.67Å; R346-F348 PolarHBondContact O-N 2.85Å
349	S	92.9	Very high	93.4	Very high	38 Å²	38	49.6 Å²	49.6	27%	0.266	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.1	120.5	174.1	-168.4	0	0	0	0	109.8	C234 L235 N340 Y351	C234-S349 CarbonylContact C-O 3.54Å; C234-S349 VanDerWaalsContact CA-O 3.24Å; C234-S349 WeakPolarHBondContact CA-O 3.46Å; L235-S349 PolarHBondContact N-O 2.8Å; L235-S349 PolarHBondContact O-N 2.82Å; N340-S349 PolarHBondContact OD1-OG 3.2Å; S349-Y351 PolarHBondContact O-N 3.29Å
350	I	94.8	Very high	93.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	119.4	173.8	-57	178.4	0	0	0	108.1	F232 L335 I336 G338 A339 I341	F232-I350 HydrophobicContact CB-CG2 4.06Å; F232-I350 HydrophobicContact CD1-CD1 4.1Å; F232-I350 HydrophobicContact CD1-CG2 3.66Å; F232-I350 HydrophobicContact CG-CD1 4.31Å; F232-I350 HydrophobicContact CG-CG2 4.25Å; L335-I350 HydrophobicContact CB-CD1 4.33Å; L335-I350 HydrophobicContact CD2-CD1 4.47Å; I336-I350 WeakPolarHBondContact O-CD1 3.48Å; G338-I350 WeakPolarHBondContact CA-O 3.24Å; G338-I350 PolarHBondContact N-O 2.63Å; A339-I350 PolarHBondContact O-N 3.33Å; I341-I350 HydrophobicContact CD1-CD1 3.62Å; I341-I350 HydrophobicContact CD1-CG1 3.67Å; I341-I350 HydrophobicContact CG1-CD1 4.29Å; I341-I350 HydrophobicContact CG1-CG1 4.4Å
351	Y	92	Very high	93.8	Very high	45 Å²	45	45.6 Å²	45.6	18%	0.176	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	-24.9	-178.2	75.1	-96.6	0	0	0	113.8	F233 L235 S349 P372 V373	F233-Y351 HydrophobicContact CB-CD1 4.22Å; F233-Y351 HydrophobicContact CB-CE1 3.54Å; F233-Y351 HydrophobicContact CB-CE2 3.98Å; F233-Y351 VanDerWaalsContact CB-CZ 3.4Å; F233-Y351 WeakPolarHBondContact CB-OH 3.44Å; F233-Y351 WeakPolarHBondContact O-CD1 3.18Å; F233-Y351 PolarHBondContact O-N 2.9Å; L235-Y351 HydrophobicContact CB-CD1 4.23Å; S349-Y351 PolarHBondContact O-N 3.29Å; Y351-P372 WeakPolarHBondContact O-CA 3.3Å; Y351-V373 WeakPolarHBondContact CB-O 3.49Å; Y351-V373 PolarHBondContact O-N 3Å
352	D	93.3	Very high	93.9	Very high	38 Å²	38	51 Å²	51	20%	0.203	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.4	164.9	178.1	-165.6	13.3	0	0	0	110.9	F233 K358 P372	F233-D352 HydrophobicContact CB-CB 4.34Å; F233-D352 HydrophobicContact CD2-CB 3.96Å; F233-D352 PolarHBondContact N-O 2.75Å; D352-K358 IonicContact OD1-NZ 3.6Å; D352-P372 HydrophobicContact CB-CB 4.33Å
353	C	93.5	Very high	93.9	Very high	4 Å²	4	54.8 Å²	54.8	3%	0.027	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.4	164.3	173.2	70.1	0	0	0	0	111.2	R231 F232 T357 K358	R231-C353 WeakPolarHBondContact O-CA 3.33Å; R231-C353 WeakPolarHBondContact O-CB 3.19Å; F232-C353 HydrophobicContact CD1-CB 3.71Å; F232-C353 HydrophobicContact CE1-CB 4.05Å; C353-T357 HydrophobicContact CB-CG2 3.93Å; C353-K358 WeakPolarHBondContact O-CE 3.24Å; C353-K358 PolarHBondContact O-NZ 2.84Å; C353-K358 VanDerWaalsContact SG-CG 3.54Å
354	D	94.3	Very high	93.9	Very high	28 Å²	28	59.6 Å²	59.6	15%	0.15	28%	0.282	C	S	.	.			trans	-82.3	169.2	179.6	71	0.1	0	0	0	114	R231 F356 T357 K358	R231-D354 IonicContact CZ-OD2 2.67Å; R231-D354 IonicContact NE-OD2 3.56Å; R231-D354 PolarHBondContact NE-OD2 2.83Å; R231-D354 IonicContact NH2-OD2 3.42Å; R231-D354 PolarHBondContact NH2-OD2 2.99Å; R231-D354 PolarHBondContact O-N 3.4Å; D354-F356 VanDerWaalsContact C-N 3.34Å; D354-F356 PolarHBondContact O-N 2.95Å; D354-T357 WeakPolarHBondContact O-CB 3.48Å; D354-T357 PolarHBondContact O-N 2.89Å; D354-T357 VanDerWaalsContact OD1-CB 3.25Å; D354-T357 WeakPolarHBondContact OD1-CB 3.36Å; D354-T357 PolarHBondContact OD1-N 3.49Å; D354-T357 VanDerWaalsContact OD1-N 3.11Å; D354-T357 PolarHBondContact OD1-OG1 3.19Å; D354-K358 WeakPolarHBondContact O-CG 3.32Å; D354-K358 PolarHBondContact O-N 3.29Å; D354-K358 VanDerWaalsContact O-N 3.11Å
355	E	94.6	Very high	94	Very high	114 Å²	114	58.6 Å²	58.6	53%	0.533	28%	0.278	S	S	.	.	H	α-helix	trans	-64.4	-37.3	-172.6	-166.4	59.2	-152	0	0	112.9	T357 K358 E359 R362	E355-T357 VanDerWaalsContact C-N 3.3Å; E355-T357 PolarHBondContact O-N 2.84Å; E355-K358 WeakPolarHBondContact O-CB 3.47Å; E355-K358 PolarHBondContact O-N 3.42Å; E355-E359 PolarHBondContact O-N 3.31Å; E355-R362 IonicContact OE1-NH1 3.39Å
356	F	95.7	Very high	94.1	Very high	75 Å²	75	58.4 Å²	58.4	33%	0.329	28%	0.276	S	S	.	.	H	α-helix	trans	-60.1	-42.7	175.5	177.7	-99.3	0	0	0	111.4	H228 V229 L230 D354 K358 E359 Y360	H228-F356 HydrophobicContact CB-CE1 4.04Å; H228-F356 HydrophobicContact CB-CZ 3.76Å; H228-F356 AromaticContact CD2-CZ 3.58Å; H228-F356 AromaticContact CG-CZ 3.65Å; V229-F356 WeakPolarHBondContact O-CD1 3.32Å; L230-F356 HydrophobicContact CD2-CD1 4.33Å; L230-F356 HydrophobicContact CD2-CE1 4.11Å; D354-F356 VanDerWaalsContact C-N 3.34Å; D354-F356 PolarHBondContact O-N 2.95Å; F356-K358 VanDerWaalsContact C-N 3.35Å; F356-K358 PolarHBondContact O-N 3.42Å; F356-E359 PolarHBondContact O-N 2.99Å; F356-Y360 PolarHBondContact O-N 3.02Å
357	T	95.3	Very high	94	Very high	0 Å²	0	56 Å²	56	0%	0	27%	0.27	C	S	.	.	H	α-helix	trans	-61.6	-44.5	176.1	-56.8	0	0	0	0	110.8	L230 R231 F232 C353 D354 E355 E359 Y360 Y361	L230-T357 WeakPolarHBondContact CA-OG1 3.41Å; L230-T357 HydrophobicContact CB-CG2 4.04Å; L230-T357 HydrophobicContact CD2-CG2 4.2Å; R231-T357 PolarHBondContact N-OG1 2.77Å; F232-T357 HydrophobicContact CD1-CG2 4.48Å; F232-T357 HydrophobicContact CE1-CG2 3.75Å; F232-T357 HydrophobicContact CE2-CG2 4.26Å; F232-T357 HydrophobicContact CZ-CG2 3.64Å; C353-T357 HydrophobicContact CB-CG2 3.93Å; D354-T357 WeakPolarHBondContact O-CB 3.48Å; D354-T357 PolarHBondContact O-N 2.89Å; D354-T357 VanDerWaalsContact OD1-CB 3.25Å; D354-T357 WeakPolarHBondContact OD1-CB 3.36Å; D354-T357 PolarHBondContact OD1-N 3.49Å; D354-T357 VanDerWaalsContact OD1-N 3.11Å; D354-T357 PolarHBondContact OD1-OG1 3.19Å; E355-T357 VanDerWaalsContact C-N 3.3Å; E355-T357 PolarHBondContact O-N 2.84Å; T357-E359 PolarHBondContact O-N 3.22Å; T357-Y360 PolarHBondContact O-N 3.28Å; T357-Y361 HydrophobicContact CG2-CD2 3.76Å; T357-Y361 HydrophobicContact CG2-CE2 3.58Å; T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.98Å
358	K	94.1	Very high	93.9	Very high	32 Å²	32	57.4 Å²	57.4	14%	0.139	28%	0.279	C	S	.	.	H	α-helix	trans	-59.3	-45.3	177.7	-63.9	174.4	-173.7	170.8	0	111.8	D352 C353 D354 E355 F356 Y361 R362 F370	D352-K358 IonicContact OD1-NZ 3.6Å; C353-K358 WeakPolarHBondContact O-CE 3.24Å; C353-K358 PolarHBondContact O-NZ 2.84Å; C353-K358 VanDerWaalsContact SG-CG 3.54Å; D354-K358 WeakPolarHBondContact O-CG 3.32Å; D354-K358 PolarHBondContact O-N 3.29Å; D354-K358 VanDerWaalsContact O-N 3.11Å; E355-K358 WeakPolarHBondContact O-CB 3.47Å; E355-K358 PolarHBondContact O-N 3.42Å; F356-K358 VanDerWaalsContact C-N 3.35Å; F356-K358 PolarHBondContact O-N 3.42Å; K358-Y361 PolarHBondContact O-N 3.43Å; K358-R362 VanDerWaalsContact O-CG 3.3Å; K358-R362 WeakPolarHBondContact O-CG 3.44Å; K358-R362 PolarHBondContact O-N 3.11Å; K358-F370 HydrophobicContact CB-CD1 4.35Å; K358-F370 HydrophobicContact CB-CD2 4.04Å; K358-F370 HydrophobicContact CB-CE1 4.26Å; K358-F370 HydrophobicContact CB-CE2 3.97Å; K358-F370 HydrophobicContact CB-CG 4.24Å; K358-F370 HydrophobicContact CB-CZ 4.07Å; K358-F370 HydrophobicContact CD-CB 3.99Å; K358-F370 HydrophobicContact CD-CD2 4.35Å; K358-F370 HydrophobicContact CD-CG 4.07Å; K358-F370 HydrophobicContact CG-CB 4.13Å; K358-F370 HydrophobicContact CG-CD1 3.78Å; K358-F370 HydrophobicContact CG-CD2 3.99Å; K358-F370 HydrophobicContact CG-CE1 4.14Å; K358-F370 HydrophobicContact CG-CE2 4.34Å; K358-F370 HydrophobicContact CG-CG 3.7Å; K358-F370 HydrophobicContact CG-CZ 4.4Å; K358-F370 WeakPolarHBondContact O-CZ 3.4Å
359	E	94.8	Very high	93.6	Very high	107 Å²	107	62.8 Å²	62.8	50%	0.5	31%	0.308	S	S	.	.	H	α-helix	trans	-63.2	-43.2	177.3	-173	172.8	-165.3	0	0	112.3	E355 F356 T357 Y361 R362 I363	E355-E359 PolarHBondContact O-N 3.31Å; F356-E359 PolarHBondContact O-N 2.99Å; T357-E359 PolarHBondContact O-N 3.22Å; E359-Y361 PolarHBondContact O-N 3.37Å; E359-R362 WeakPolarHBondContact O-CB 3.3Å; E359-R362 PolarHBondContact O-N 3.17Å; E359-I363 HydrophobicContact CG-CD1 3.87Å; E359-I363 WeakPolarHBondContact O-CG1 3.4Å; E359-I363 PolarHBondContact O-N 3.48Å
360	Y	95.3	Very high	93.4	Very high	28 Å²	28	62.1 Å²	62.1	11%	0.11	30%	0.3	C	S	.	.	H	α-helix	trans	-58	-47.3	176	-179.5	-99.2	0	0	0	112.4	L230 L255 D332 F356 T357 R362 I363 K364 Y365	L230-Y360 HydrophobicContact CD1-CD1 3.87Å; L230-Y360 HydrophobicContact CD1-CE1 3.92Å; L230-Y360 HydrophobicContact CD2-CD1 3.68Å; L230-Y360 HydrophobicContact CD2-CD2 4.5Å; L230-Y360 HydrophobicContact CD2-CE1 4.36Å; L230-Y360 HydrophobicContact CD2-CG 3.74Å; L230-Y360 HydrophobicContact CG-CD1 4.41Å; L255-Y360 HydrophobicContact CD1-CD2 3.79Å; L255-Y360 HydrophobicContact CD1-CE1 4.33Å; L255-Y360 HydrophobicContact CD1-CE2 3.31Å; L255-Y360 HydrophobicContact CD1-CG 4.46Å; L255-Y360 HydrophobicContact CD2-CE1 4.11Å; L255-Y360 HydrophobicContact CD2-CE2 4.32Å; L255-Y360 WeakPolarHBondContact CD2-OH 3.33Å; L255-Y360 HydrophobicContact CG-CE2 4.49Å; D332-Y360 HydrophobicContact CB-CE1 4.45Å; D332-Y360 PolarHBondContact OD2-OH 3.4Å; F356-Y360 PolarHBondContact O-N 3.02Å; T357-Y360 PolarHBondContact O-N 3.28Å; Y360-R362 VanDerWaalsContact C-N 3.35Å; Y360-R362 PolarHBondContact O-N 2.98Å; Y360-I363 PolarHBondContact O-N 3.39Å; Y360-K364 HydrophobicContact CE1-CB 4.46Å; Y360-K364 HydrophobicContact CE1-CD 3.72Å; Y360-K364 HydrophobicContact CE2-CD 4.15Å; Y360-K364 VanDerWaalsContact CZ-CD 3.4Å; Y360-K364 WeakPolarHBondContact O-CB 3.3Å; Y360-K364 PolarHBondContact O-N 3.18Å; Y360-K364 WeakPolarHBondContact OH-CD 3.44Å; Y360-K364 PolarHBondContact OH-NZ 3.01Å; Y360-Y365 HydrophobicContact CE1-CE2 4.39Å
361	Y	95.6	Very high	93.1	Very high	5 Å²	5	66.6 Å²	66.6	2%	0.02	33%	0.328	C	S	.	.	H	α-helix	trans	-67.5	-33.1	178	-81.1	-78.4	0	0	0	112.9	L230 F232 D332 L335 T357 K358 E359 Y365 G366 I367	L230-Y361 HydrophobicContact CD1-CE2 4.11Å; F232-Y361 HydrophobicContact CE1-CE2 4.27Å; F232-Y361 AromaticContact CZ-CE2 3.73Å; F232-Y361 HydrophobicContact CZ-CE2 3.73Å; D332-Y361 PolarHBondContact O-OH 3.32Å; L335-Y361 VanDerWaalsContact O-CZ 3.28Å; L335-Y361 PolarHBondContact O-OH 2.91Å; T357-Y361 HydrophobicContact CG2-CD2 3.76Å; T357-Y361 HydrophobicContact CG2-CE2 3.58Å; T357-Y361 WeakPolarHBondContact O-CD2 3.27Å; T357-Y361 PolarHBondContact O-N 2.98Å; K358-Y361 PolarHBondContact O-N 3.43Å; E359-Y361 PolarHBondContact O-N 3.37Å; Y361-Y365 AromaticContact CD1-CD2 3.35Å; Y361-Y365 HydrophobicContact CD1-CD2 3.35Å; Y361-Y365 AromaticContact CD1-CE2 3.9Å; Y361-Y365 HydrophobicContact CD1-CE2 3.9Å; Y361-Y365 HydrophobicContact CD1-CG 4.29Å; Y361-Y365 AromaticContact CE1-CD2 3.68Å; Y361-Y365 HydrophobicContact CE1-CD2 3.68Å; Y361-Y365 AromaticContact CE1-CE2 3.73Å; Y361-Y365 HydrophobicContact CE1-CE2 3.73Å; Y361-Y365 HydrophobicContact CG-CD2 4.34Å; Y361-Y365 CarbonylContact O-C 3.53Å; Y361-Y365 WeakPolarHBondContact O-CA 3.48Å; Y361-Y365 PolarHBondContact O-N 2.57Å; Y361-G366 PolarHBondContact O-N 2.96Å; Y361-I367 HydrophobicContact CD1-CD1 3.95Å; Y361-I367 PolarHBondContact O-N 2.89Å
362	R	95.2	Very high	92.8	Very high	115 Å²	115	68.1 Å²	68.1	43%	0.434	34%	0.343	S	S	.	.	H	α-helix	trans	-61.8	-46.4	172.2	-75.4	171.3	-178.6	159.8	4.2	111.4	E355 K358 E359 Y360 G366 I367 F370	E355-R362 IonicContact OE1-NH1 3.39Å; K358-R362 VanDerWaalsContact O-CG 3.3Å; K358-R362 WeakPolarHBondContact O-CG 3.44Å; K358-R362 PolarHBondContact O-N 3.11Å; E359-R362 WeakPolarHBondContact O-CB 3.3Å; E359-R362 PolarHBondContact O-N 3.17Å; Y360-R362 VanDerWaalsContact C-N 3.35Å; Y360-R362 PolarHBondContact O-N 2.98Å; R362-G366 VanDerWaalsContact O-CA 3.27Å; R362-G366 WeakPolarHBondContact O-CA 3.43Å; R362-G366 PolarHBondContact O-N 3.03Å; R362-G366 VanDerWaalsContact O-N 3.16Å; R362-I367 WeakPolarHBondContact CG-O 3.46Å; R362-F370 HydrophobicContact CG-CE2 3.9Å; R362-F370 HydrophobicContact CG-CZ 4.28Å
363	I	94.5	Very high	92.3	Very high	134 Å²	134	69.8 Å²	69.8	69%	0.687	35%	0.354	S	S	*	.	H	α-helix	trans	-74.6	-46.4	-176.2	-64.7	170.1	0	0	0	111.7	E359 Y360	E359-I363 HydrophobicContact CG-CD1 3.87Å; E359-I363 WeakPolarHBondContact O-CG1 3.4Å; E359-I363 PolarHBondContact O-N 3.48Å; Y360-I363 PolarHBondContact O-N 3.39Å
364	K	94.4	Very high	91	Very high	100 Å²	100	79.3 Å²	79.3	44%	0.435	40%	0.395	S	S	.	.	H	α-helix	trans	-81.5	-40.1	-173.4	-173	172.7	178.5	-172.1	0	113.5	D332 Y360	D332-K364 IonicContact OD1-NZ 3.8Å; D332-K364 IonicContact OD2-NZ 2.74Å; D332-K364 PolarHBondContact OD2-NZ 3.3Å; Y360-K364 HydrophobicContact CE1-CB 4.46Å; Y360-K364 HydrophobicContact CE1-CD 3.72Å; Y360-K364 HydrophobicContact CE2-CD 4.15Å; Y360-K364 VanDerWaalsContact CZ-CD 3.4Å; Y360-K364 WeakPolarHBondContact O-CB 3.3Å; Y360-K364 PolarHBondContact O-N 3.18Å; Y360-K364 WeakPolarHBondContact OH-CD 3.44Å; Y360-K364 PolarHBondContact OH-NZ 3.01Å
365	Y	94.6	Very high	89.4	Confident	76 Å²	76	79.6 Å²	79.6	30%	0.298	40%	0.399	S	S	.	.	H	α-helix	trans	-117.8	-12.3	-172.3	-60.9	-70.9	0	0	0	114.4	D332 N333 Y360 Y361	D332-Y365 WeakPolarHBondContact OD2-CE2 3.18Å; D332-Y365 PolarHBondContact OD2-OH 3.4Å; N333-Y365 VanDerWaalsContact ND2-CE1 3.33Å; N333-Y365 WeakPolarHBondContact ND2-CE1 3.47Å; N333-Y365 PolarHBondContact ND2-OH 3.37Å; N333-Y365 PolarHBondContact OD1-OH 3.11Å; Y360-Y365 HydrophobicContact CE1-CE2 4.39Å; Y361-Y365 AromaticContact CD1-CD2 3.35Å; Y361-Y365 HydrophobicContact CD1-CD2 3.35Å; Y361-Y365 AromaticContact CD1-CE2 3.9Å; Y361-Y365 HydrophobicContact CD1-CE2 3.9Å; Y361-Y365 HydrophobicContact CD1-CG 4.29Å; Y361-Y365 AromaticContact CE1-CD2 3.68Å; Y361-Y365 HydrophobicContact CE1-CD2 3.68Å; Y361-Y365 AromaticContact CE1-CE2 3.73Å; Y361-Y365 HydrophobicContact CE1-CE2 3.73Å; Y361-Y365 HydrophobicContact CG-CD2 4.34Å; Y361-Y365 CarbonylContact O-C 3.53Å; Y361-Y365 WeakPolarHBondContact O-CA 3.48Å; Y361-Y365 PolarHBondContact O-N 2.57Å
366	G	92.4	Very high	87.6	Confident	51 Å²	51	82 Å²	82	53%	0.526	41%	0.408	S	S	.	.			trans	76	18.8	-178.8	0	0	0	0	0	114.9	Y361 R362	Y361-G366 PolarHBondContact O-N 2.96Å; R362-G366 VanDerWaalsContact O-CA 3.27Å; R362-G366 WeakPolarHBondContact O-CA 3.43Å; R362-G366 PolarHBondContact O-N 3.03Å; R362-G366 VanDerWaalsContact O-N 3.16Å
367	I	91.1	Very high	85.8	Confident	48 Å²	48	80 Å²	80	25%	0.246	40%	0.401	C	S	.	.			trans	-78.7	126.4	179.7	-56.6	176	0	0	0	109.5	Y361 R362 F370	Y361-I367 HydrophobicContact CD1-CD1 3.95Å; Y361-I367 PolarHBondContact O-N 2.89Å; R362-I367 WeakPolarHBondContact CG-O 3.46Å; I367-F370 HydrophobicContact CB-CZ 4.26Å; I367-F370 HydrophobicContact CG2-CE1 4.19Å; I367-F370 HydrophobicContact CG2-CZ 4.08Å; I367-F370 VanDerWaalsContact O-CE2 3.27Å; I367-F370 WeakPolarHBondContact O-CE2 3.38Å; I367-F370 WeakPolarHBondContact O-CZ 3.25Å
368	Q	88.7	Confident	83.7	Confident	167 Å²	167	87.7 Å²	87.7	78%	0.78	44%	0.437	S	S	*	.			trans	-107.1	-29.3	-179	-65	-174.9	-2.5	0	0	113.9	F370	Q368-F370 VanDerWaalsContact O-CD2 3.27Å; Q368-F370 WeakPolarHBondContact O-CD2 3.35Å
369	D	87.8	Confident	81.6	Confident	114 Å²	114	92.6 Å²	92.6	61%	0.61	47%	0.465	S	S	*	.			trans	-87	123.6	-176.5	-169.5	6.1	0	0	0	111.3	T371	D369-T371 WeakPolarHBondContact OD1-CG2 3.46Å; D369-T371 PolarHBondContact OD1-N 3.45Å
370	F	89.2	Confident	79.6	Confident	24 Å²	24	94.9 Å²	94.9	11%	0.105	47%	0.47	C	S	.	.			trans	-137.8	40.8	-179.6	-59.3	-81	0	0	0	111.2	I337 K358 R362 I367 Q368 P372	I337-F370 HydrophobicContact CD1-CB 3.8Å; I337-F370 HydrophobicContact CD1-CD1 3.87Å; I337-F370 HydrophobicContact CD1-CG 4.35Å; K358-F370 HydrophobicContact CB-CD1 4.35Å; K358-F370 HydrophobicContact CB-CD2 4.04Å; K358-F370 HydrophobicContact CB-CE1 4.26Å; K358-F370 HydrophobicContact CB-CE2 3.97Å; K358-F370 HydrophobicContact CB-CG 4.24Å; K358-F370 HydrophobicContact CB-CZ 4.07Å; K358-F370 HydrophobicContact CD-CB 3.99Å; K358-F370 HydrophobicContact CD-CD2 4.35Å; K358-F370 HydrophobicContact CD-CG 4.07Å; K358-F370 HydrophobicContact CG-CB 4.13Å; K358-F370 HydrophobicContact CG-CD1 3.78Å; K358-F370 HydrophobicContact CG-CD2 3.99Å; K358-F370 HydrophobicContact CG-CE1 4.14Å; K358-F370 HydrophobicContact CG-CE2 4.34Å; K358-F370 HydrophobicContact CG-CG 3.7Å; K358-F370 HydrophobicContact CG-CZ 4.4Å; K358-F370 WeakPolarHBondContact O-CZ 3.4Å; R362-F370 HydrophobicContact CG-CE2 3.9Å; R362-F370 HydrophobicContact CG-CZ 4.28Å; I367-F370 HydrophobicContact CB-CZ 4.26Å; I367-F370 HydrophobicContact CG2-CE1 4.19Å; I367-F370 HydrophobicContact CG2-CZ 4.08Å; I367-F370 VanDerWaalsContact O-CE2 3.27Å; I367-F370 WeakPolarHBondContact O-CE2 3.38Å; I367-F370 WeakPolarHBondContact O-CZ 3.25Å; Q368-F370 VanDerWaalsContact O-CD2 3.27Å; Q368-F370 WeakPolarHBondContact O-CD2 3.35Å; F370-P372 VanDerWaalsContact O-CD 3.3Å; F370-P372 WeakPolarHBondContact O-CD 3.48Å
371	T	88.7	Confident	77.5	Confident	94 Å²	94	100.3 Å²	100.3	58%	0.577	50%	0.499	S	S	*	.			trans	-61.7	121.6	176.6	51.1	0	0	0	0	111.7	D369	D369-T371 WeakPolarHBondContact OD1-CG2 3.46Å; D369-T371 PolarHBondContact OD1-N 3.45Å
372	P	86.7	Confident	75.4	Confident	77 Å²	77	104 Å²	104	50%	0.5	53%	0.531	S	S	.	.			trans	-66.5	136.8	177.8	-20.8	33	0	0	0	112.1	Y351 D352 F370 K374	Y351-P372 WeakPolarHBondContact O-CA 3.3Å; D352-P372 HydrophobicContact CB-CB 4.33Å; F370-P372 VanDerWaalsContact O-CD 3.3Å; F370-P372 WeakPolarHBondContact O-CD 3.48Å; P372-K374 PolarHBondContact O-N 3.4Å
373	V	81.5	Confident	73.3	Confident	72 Å²	72	103.8 Å²	103.8	44%	0.436	54%	0.543	S	S	.	.			trans	-83.7	112.4	175.4	-176.1	0	0	0	0	108.4	I337 Y351 S375	I337-V373 HydrophobicContact CG2-CG2 4.32Å; Y351-V373 WeakPolarHBondContact CB-O 3.49Å; Y351-V373 PolarHBondContact O-N 3Å; V373-S375 PolarHBondContact O-N 3.2Å
374	K	66.8	Low	71.7	Confident	204 Å²	204	104.1 Å²	104.1	89%	0.887	55%	0.55	S	S	*	*			trans	-63	126.2	-178.7	-70.1	-176.4	178.4	-178.5	0	111.2	P372	P372-K374 PolarHBondContact O-N 3.4Å
375	S	59.8	Low	70.2	Confident	34 Å²	34	107.6 Å²	107.6	24%	0.238	57%	0.566	C	S	.	*			trans	-75.8	140.9	173.8	67.7	0	0	0	0	110.7	V373 L377	V373-S375 PolarHBondContact O-N 3.2Å; S375-L377 PolarHBondContact O-N 2.88Å; S375-L377 VanDerWaalsContact O-N 3.11Å
376	K	58.3	Low	69.1	Low	166 Å²	166	114.8 Å²	114.8	72%	0.722	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-71.3	4.2	174.8	-65.3	-178.1	179	178.2	0	113.5	Q378	K376-Q378 VanDerWaalsContact C-N 3.34Å; K376-Q378 PolarHBondContact O-N 2.97Å
377	L	57.2	Low	68.4	Low	32 Å²	32	120.5 Å²	120.5	17%	0.168	61%	0.605	C	S	.	*	G	3₁₀ helix	trans	-69.9	-27.8	-171.8	-83.5	175.4	0	0	0	114.6	L235 P246 E248 S375 D379 Y380	L235-L377 HydrophobicContact CD1-CD1 3.52Å; L235-L377 HydrophobicContact CD1-CG 4.37Å; P246-L377 HydrophobicContact CB-CD1 4.29Å; P246-L377 HydrophobicContact CB-CD2 3.39Å; P246-L377 HydrophobicContact CB-CG 4.15Å; P246-L377 HydrophobicContact CG-CD2 3.06Å; P246-L377 HydrophobicContact CG-CG 4.28Å; E248-L377 HydrophobicContact CG-CD1 4.05Å; S375-L377 PolarHBondContact O-N 2.88Å; S375-L377 VanDerWaalsContact O-N 3.11Å; L377-D379 PolarHBondContact O-N 3.02Å; L377-Y380 HydrophobicContact CD2-CD2 4.05Å; L377-Y380 HydrophobicContact CD2-CE2 3.81Å; L377-Y380 WeakPolarHBondContact O-CD2 3.12Å; L377-Y380 PolarHBondContact O-N 2.91Å
378	Q	51	Low	68	Low	161 Å²	161	120.7 Å²	120.7	75%	0.752	61%	0.606	S	S	*	*	G	3₁₀ helix	trans	-69.7	-16.5	-174.6	-70.2	-178.6	-16	0	0	113	K376 Y380	K376-Q378 VanDerWaalsContact C-N 3.34Å; K376-Q378 PolarHBondContact O-N 2.97Å; Q378-Y380 VanDerWaalsContact C-N 3.27Å; Q378-Y380 PolarHBondContact O-N 3.27Å
379	D	50.2	Low	67.9	Low	136 Å²	136	116.3 Å²	116.3	73%	0.727	59%	0.592	S	S	*	*	G	3₁₀ helix	trans	-74.7	-15.2	-175.9	-63.6	-20	0	0	0	113	L377	L377-D379 PolarHBondContact O-N 3.02Å
380	Y	51.7	Low	67.8	Low	154 Å²	154	114.4 Å²	114.4	60%	0.604	59%	0.586	S	S	*	*	G	3₁₀ helix	trans	-86.8	-10.3	-175.1	-48.2	-63	0	0	0	115	L377 Q378 A382	L377-Y380 HydrophobicContact CD2-CD2 4.05Å; L377-Y380 HydrophobicContact CD2-CE2 3.81Å; L377-Y380 WeakPolarHBondContact O-CD2 3.12Å; L377-Y380 PolarHBondContact O-N 2.91Å; Q378-Y380 VanDerWaalsContact C-N 3.27Å; Q378-Y380 PolarHBondContact O-N 3.27Å; Y380-A382 PolarHBondContact O-N 3.09Å
381	I	53.2	Low	67.7	Low	142 Å²	142	114.8 Å²	114.8	73%	0.728	59%	0.587	S	S	*	*			trans	-84.2	68.4	175.4	-48.6	178.1	0	0	0	108.8	T383	I381-T383 VanDerWaalsContact C-N 3.35Å; I381-T383 PolarHBondContact O-N 3.29Å
382	A	49.8	Very low	67.6	Low	84 Å²	84	115 Å²	115	69%	0.694	58%	0.584	S	S	*	*			trans	-69.8	96	167.2	0	0	0	0	0	108	Y380 V384	Y380-A382 PolarHBondContact O-N 3.09Å; A382-V384 PolarHBondContact O-N 3.42Å
383	T	52.5	Low	67.5	Low	110 Å²	110	113.2 Å²	113.2	68%	0.675	58%	0.58	S	S	*	*			trans	-58.5	112.2	170.4	46.8	0	0	0	0	108.3	I381 K385	I381-T383 VanDerWaalsContact C-N 3.35Å; I381-T383 PolarHBondContact O-N 3.29Å; T383-K385 PolarHBondContact O-N 3.45Å
384	V	60.1	Low	67.8	Low	140 Å²	140	119.6 Å²	119.6	85%	0.848	60%	0.597	S	S	*	*			trans	-62.6	104.4	177.4	-179.2	0	0	0	0	107.4	A382 R386	A382-V384 PolarHBondContact O-N 3.42Å; V384-R386 PolarHBondContact O-N 3.31Å
385	K	63.8	Low	68.7	Low	174 Å²	174	113.1 Å²	113.1	76%	0.757	59%	0.587	S	S	*	*	P	Polyproline II helix	trans	-71.2	126	175.4	-66.9	-177.7	-177.7	176.6	0	107.6	T383 E387	T383-K385 PolarHBondContact O-N 3.45Å; K385-E387 PolarHBondContact O-N 3.33Å
386	R	70.2	Confident	70	Confident	227 Å²	227	115.3 Å²	115.3	86%	0.857	60%	0.599	S	S	*	*	P	Polyproline II helix	trans	-67.8	116.9	174.2	-67.5	-178.3	179	176	-0.8	108.4	V384	V384-R386 PolarHBondContact O-N 3.31Å
387	E	77.7	Confident	71.3	Confident	171 Å²	171	108.2 Å²	108.2	80%	0.799	57%	0.569	S	S	*	*	P	Polyproline II helix	trans	-86.4	133.9	174.4	-62.9	-176.4	171.8	0	0	109.4	K385	K385-E387 PolarHBondContact O-N 3.33Å
388	I	83.4	Confident	72.8	Confident	52 Å²	52	110.3 Å²	110.3	27%	0.267	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-83.8	124.8	175.3	-58	174.1	0	0	0	107	C404	I388-C404 HydrophobicContact CG2-CB 4.37Å
389	P	86.3	Confident	74.6	Confident	74 Å²	74	105.8 Å²	105.8	48%	0.481	56%	0.559	S	S	.	*	P	Polyproline II helix	trans	-65.8	156.6	177	28.7	-35.1	0	0	0	111	Y391	P389-Y391 PolarHBondContact O-N 3.43Å
390	P	86.5	Confident	76.4	Confident	74 Å²	74	100.4 Å²	100.4	48%	0.481	53%	0.532	S	S	.	.	P	Polyproline II helix	trans	-62	138.6	178.5	25.2	-31.8	0	0	0	110.6	D493 N494	P390-D493 WeakPolarHBondContact CA-O 3.35Å; P390-N494 WeakPolarHBondContact CB-OD1 3.37Å; P390-N494 VanDerWaalsContact CD-OD1 3.24Å; P390-N494 WeakPolarHBondContact CD-OD1 3.18Å
391	Y	86	Confident	78.1	Confident	33 Å²	33	94.6 Å²	94.6	13%	0.129	51%	0.511	C	S	.	.	P	Polyproline II helix	trans	-64.8	135.1	178.6	176.1	-124.6	0	0	0	111	P389 G393 W394 G395 D397 S400 F492 L497	P389-Y391 PolarHBondContact O-N 3.43Å; Y391-G393 VanDerWaalsContact CE1-CA 3.48Å; Y391-W394 WeakPolarHBondContact CE2-O 3.48Å; Y391-W394 VanDerWaalsContact OH-C 3.25Å; Y391-W394 PolarHBondContact OH-N 3.23Å; Y391-W394 PolarHBondContact OH-O 3.47Å; Y391-G395 PolarHBondContact OH-O 3.21Å; Y391-D397 HydrophobicContact CD1-CB 4.24Å; Y391-D397 HydrophobicContact CD2-CB 4.46Å; Y391-D397 HydrophobicContact CE1-CB 4.17Å; Y391-D397 HydrophobicContact CE2-CB 4.44Å; Y391-D397 HydrophobicContact CG-CB 4.38Å; Y391-S400 WeakPolarHBondContact CE2-OG 3.24Å; Y391-F492 VanDerWaalsContact O-CD1 3.22Å; Y391-F492 WeakPolarHBondContact O-CD1 3.4Å; Y391-L497 HydrophobicContact CD1-CD1 4.3Å; Y391-L497 HydrophobicContact CE1-CD1 4.4Å
392	N	87.5	Confident	79.8	Confident	98 Å²	98	88.4 Å²	88.4	52%	0.524	48%	0.481	S	S	.	.			trans	-89.8	-4.2	-172.2	66.9	-2.4	0	0	0	114.6	W394	N392-W394 PolarHBondContact OD1-N 3.34Å; N392-W394 VanDerWaalsContact OD1-N 3.12Å
393	G	85.1	Confident	81.6	Confident	40 Å²	40	88.8 Å²	88.8	41%	0.412	47%	0.472	S	S	.	.	S	Bend	trans	84.5	1.2	179.3	0	0	0	0	0	116	Y391	Y391-G393 VanDerWaalsContact CE1-CA 3.48Å
394	W	87.3	Confident	83.3	Confident	206 Å²	206	86.1 Å²	86.1	78%	0.78	46%	0.457	S	S	*	.	S	Bend	trans	-98.9	140.4	175.8	-65.9	89	0	0	0	110.8	Y391 N392 S400	Y391-W394 WeakPolarHBondContact CE2-O 3.48Å; Y391-W394 VanDerWaalsContact OH-C 3.25Å; Y391-W394 PolarHBondContact OH-N 3.23Å; Y391-W394 PolarHBondContact OH-O 3.47Å; N392-W394 PolarHBondContact OD1-N 3.34Å; N392-W394 VanDerWaalsContact OD1-N 3.12Å; W394-S400 PolarHBondContact O-OG 3.12Å
395	G	86.2	Confident	84.5	Confident	67 Å²	67	86.9 Å²	86.9	69%	0.691	45%	0.446	S	S	*	.	S	Bend	trans	72.4	-157.4	-177.1	0	0	0	0	0	113.5	Y391	Y391-G395 PolarHBondContact OH-O 3.21Å
396	T	86.5	Confident	85.5	Confident	80 Å²	80	80.4 Å²	80.4	49%	0.491	42%	0.423	S	S	.	.			trans	-94.6	151.2	167	63.6	0	0	0	0	109.4	D399 S400	T396-D399 PolarHBondContact O-N 3.38Å; T396-D399 WeakPolarHBondContact OG1-CB 3.22Å; T396-D399 PolarHBondContact OG1-N 3.21Å; T396-S400 VanDerWaalsContact O-CB 3.29Å; T396-S400 WeakPolarHBondContact O-CB 3.43Å; T396-S400 PolarHBondContact O-N 2.75Å; T396-S400 PolarHBondContact O-OG 3.49Å
397	D	86.2	Confident	86.3	Confident	17 Å²	17	78.3 Å²	78.3	9%	0.091	43%	0.428	C	S	.	.	H	α-helix	trans	-66.5	-40.6	178.2	64	-45.5	0	0	0	111.2	Y391 D399 S400 L401 L497 Y499	Y391-D397 HydrophobicContact CD1-CB 4.24Å; Y391-D397 HydrophobicContact CD2-CB 4.46Å; Y391-D397 HydrophobicContact CE1-CB 4.17Å; Y391-D397 HydrophobicContact CE2-CB 4.44Å; Y391-D397 HydrophobicContact CG-CB 4.38Å; D397-D399 PolarHBondContact O-N 3.12Å; D397-S400 PolarHBondContact O-N 3.34Å; D397-L401 WeakPolarHBondContact O-CB 3.49Å; D397-L401 PolarHBondContact O-N 3.48Å; D397-L497 HydrophobicContact CB-CD1 3.96Å; D397-L497 HydrophobicContact CB-CG 4.49Å; D397-L497 WeakPolarHBondContact OD2-CB 3.44Å; D397-Y499 PolarHBondContact OD1-OH 3.21Å
398	E	87.1	Confident	86.9	Confident	76 Å²	76	76.9 Å²	76.9	36%	0.355	42%	0.424	S	S	.	.	H	α-helix	trans	-57.8	-44.9	175.7	-66.1	179.4	178.4	0	0	112.3	P412 K483	E398-P412 HydrophobicContact CB-CB 4.4Å; E398-K483 IonicContact OE1-NZ 2.74Å; E398-K483 PolarHBondContact OE1-NZ 3.45Å; E398-K483 IonicContact OE2-NZ 3.88Å; E398-K483 PolarHBondContact OE2-NZ 3.32Å
399	D	89.3	Confident	87.1	Confident	67 Å²	67	77.6 Å²	77.6	36%	0.358	43%	0.432	S	S	.	.	H	α-helix	trans	-70.5	-40.1	177.1	-172.6	58.3	0	0	0	111.8	T396 D397 L401 A402 P412	T396-D399 PolarHBondContact O-N 3.38Å; T396-D399 WeakPolarHBondContact OG1-CB 3.22Å; T396-D399 PolarHBondContact OG1-N 3.21Å; D397-D399 PolarHBondContact O-N 3.12Å; D399-L401 VanDerWaalsContact C-N 3.29Å; D399-L401 PolarHBondContact O-N 2.89Å; D399-A402 VanDerWaalsContact O-CB 3.28Å; D399-A402 WeakPolarHBondContact O-CB 3.32Å; D399-A402 PolarHBondContact O-N 2.88Å; D399-A402 VanDerWaalsContact O-N 3.17Å; D399-P412 HydrophobicContact CB-CG 4.47Å
400	S	89.2	Confident	87.2	Confident	22 Å²	22	81.4 Å²	81.4	15%	0.154	44%	0.441	C	S	.	.	H	α-helix	trans	-66.2	-33	178.1	-61.6	0	0	0	0	112.6	Y391 W394 T396 D397 A402 N403	Y391-S400 WeakPolarHBondContact CE2-OG 3.24Å; W394-S400 PolarHBondContact O-OG 3.12Å; T396-S400 VanDerWaalsContact O-CB 3.29Å; T396-S400 WeakPolarHBondContact O-CB 3.43Å; T396-S400 PolarHBondContact O-N 2.75Å; T396-S400 PolarHBondContact O-OG 3.49Å; D397-S400 PolarHBondContact O-N 3.34Å; S400-A402 VanDerWaalsContact C-N 3.26Å; S400-A402 PolarHBondContact O-N 3.46Å; S400-N403 VanDerWaalsContact O-CB 3.31Å; S400-N403 WeakPolarHBondContact O-CB 3.04Å; S400-N403 PolarHBondContact O-N 3.05Å; S400-N403 VanDerWaalsContact O-N 3.16Å; S400-N403 PolarHBondContact O-ND2 3.37Å
401	L	87.3	Confident	87.4	Confident	32 Å²	32	81.7 Å²	81.7	17%	0.168	45%	0.449	C	S	.	.	H	α-helix	trans	-67.5	-28.9	177.5	-153.7	160.4	0	0	0	111.1	D397 D399 N403 C404 Y405 P496	D397-L401 WeakPolarHBondContact O-CB 3.49Å; D397-L401 PolarHBondContact O-N 3.48Å; D399-L401 VanDerWaalsContact C-N 3.29Å; D399-L401 PolarHBondContact O-N 2.89Å; L401-N403 PolarHBondContact O-N 3.33Å; L401-C404 WeakPolarHBondContact O-CA 3.46Å; L401-C404 WeakPolarHBondContact O-CB 3.49Å; L401-C404 PolarHBondContact O-N 3.14Å; L401-Y405 HydrophobicContact CD2-CD1 4.23Å; L401-Y405 HydrophobicContact CD2-CD2 3.56Å; L401-Y405 HydrophobicContact CD2-CE1 3.71Å; L401-Y405 HydrophobicContact CD2-CE2 2.96Å; L401-Y405 HydrophobicContact CD2-CG 4.17Å; L401-Y405 VanDerWaalsContact CD2-OH 3.26Å; L401-Y405 WeakPolarHBondContact CD2-OH 3.1Å; L401-Y405 HydrophobicContact CG-CE2 4.44Å; L401-Y405 PolarHBondContact O-N 2.62Å; L401-P496 HydrophobicContact CD1-CB 4.4Å
402	A	87.3	Confident	87.4	Confident	12 Å²	12	82 Å²	82	10%	0.099	46%	0.455	C	S	.	.	H	α-helix	trans	-59.9	-34.2	172.3	0	0	0	0	0	112.5	D399 S400 C404 Y405 S406 K410	D399-A402 VanDerWaalsContact O-CB 3.28Å; D399-A402 WeakPolarHBondContact O-CB 3.32Å; D399-A402 PolarHBondContact O-N 2.88Å; D399-A402 VanDerWaalsContact O-N 3.17Å; S400-A402 VanDerWaalsContact C-N 3.26Å; S400-A402 PolarHBondContact O-N 3.46Å; A402-C404 PolarHBondContact O-N 2.85Å; A402-Y405 PolarHBondContact O-N 2.79Å; A402-S406 PolarHBondContact O-N 3.03Å; A402-S406 VanDerWaalsContact O-N 3.11Å; A402-K410 VanDerWaalsContact CB-O 3.29Å; A402-K410 WeakPolarHBondContact CB-O 3.49Å
403	N	89	Confident	87.1	Confident	92 Å²	92	85 Å²	85	49%	0.492	47%	0.471	S	S	.	.	H	α-helix	trans	-65	-26.4	173.4	-60.3	-59.3	0	0	0	112.6	S400 L401 P409	S400-N403 VanDerWaalsContact O-CB 3.31Å; S400-N403 WeakPolarHBondContact O-CB 3.04Å; S400-N403 PolarHBondContact O-N 3.05Å; S400-N403 VanDerWaalsContact O-N 3.16Å; S400-N403 PolarHBondContact O-ND2 3.37Å; L401-N403 PolarHBondContact O-N 3.33Å; N403-P409 WeakPolarHBondContact OD1-CB 3.25Å
404	C	86.9	Confident	87	Confident	55 Å²	55	90 Å²	90	37%	0.372	48%	0.484	S	S	.	.	H	α-helix	trans	-81.1	-26.5	177.4	-57.3	0	0	0	0	112	I388 L401 A402	I388-C404 HydrophobicContact CG2-CB 4.37Å; L401-C404 WeakPolarHBondContact O-CA 3.46Å; L401-C404 WeakPolarHBondContact O-CB 3.49Å; L401-C404 PolarHBondContact O-N 3.14Å; A402-C404 PolarHBondContact O-N 2.85Å
405	Y	86.1	Confident	87	Confident	156 Å²	156	85.3 Å²	85.3	61%	0.612	47%	0.474	S	S	*	.	H	α-helix	trans	-85.4	-37.5	-179.9	-70.7	-34	0	0	0	113.9	L401 A402	L401-Y405 HydrophobicContact CD2-CD1 4.23Å; L401-Y405 HydrophobicContact CD2-CD2 3.56Å; L401-Y405 HydrophobicContact CD2-CE1 3.71Å; L401-Y405 HydrophobicContact CD2-CE2 2.96Å; L401-Y405 HydrophobicContact CD2-CG 4.17Å; L401-Y405 VanDerWaalsContact CD2-OH 3.26Å; L401-Y405 WeakPolarHBondContact CD2-OH 3.1Å; L401-Y405 HydrophobicContact CG-CE2 4.44Å; L401-Y405 PolarHBondContact O-N 2.62Å; A402-Y405 PolarHBondContact O-N 2.79Å
406	S	85.6	Confident	87	Confident	38 Å²	38	88.8 Å²	88.8	27%	0.266	47%	0.47	S	S	.	.			trans	-145	144	179	53.8	0	0	0	0	112.5	A402 I408	A402-S406 PolarHBondContact O-N 3.03Å; A402-S406 VanDerWaalsContact O-N 3.11Å; S406-I408 PolarHBondContact O-N 3.44Å; S406-I408 PolarHBondContact OG-O 2.85Å
407	L	86	Confident	87	Confident	183 Å²	183	91.7 Å²	91.7	96%	0.958	48%	0.476	S	S	*	.	S	Bend	trans	-58.3	-33.6	177.6	-72.4	168.9	0	0	0	113.1
408	I	90.5	Very high	87.3	Confident	140 Å²	140	93.2 Å²	93.2	72%	0.718	48%	0.482	S	S	*	.	S	Bend	trans	-97.8	109.8	169.6	-60	173.9	0	0	0	105.9	S406 K410	S406-I408 PolarHBondContact O-N 3.44Å; S406-I408 PolarHBondContact OG-O 2.85Å; I408-K410 PolarHBondContact O-N 2.79Å
409	P	87.6	Confident	87.3	Confident	68 Å²	68	93.7 Å²	93.7	44%	0.442	48%	0.483	S	S	.	.	P	Polyproline II helix	trans	-62.6	134.7	-180	23.3	-30.8	0	0	0	109.6	N403	N403-P409 WeakPolarHBondContact OD1-CB 3.25Å
410	K	88.7	Confident	87.2	Confident	154 Å²	154	95.5 Å²	95.5	67%	0.67	49%	0.491	S	S	*	.	P	Polyproline II helix	trans	-101.1	139.2	170.5	-64.4	-179.2	-178.3	179.2	0	107.3	A402 I408	A402-K410 VanDerWaalsContact CB-O 3.29Å; A402-K410 WeakPolarHBondContact CB-O 3.49Å; I408-K410 PolarHBondContact O-N 2.79Å
411	A	89.4	Confident	87.2	Confident	79 Å²	79	99.4 Å²	99.4	65%	0.653	51%	0.507	S	S	*	.	P	Polyproline II helix	trans	-52.8	138.4	174.5	0	0	0	0	0	109.9	N413	A411-N413 PolarHBondContact O-N 3.49Å
412	P	85.8	Confident	87.3	Confident	40 Å²	40	99.6 Å²	99.6	26%	0.26	51%	0.507	S	S	.	.	P	Polyproline II helix	trans	-59.3	125.6	179.8	22.2	-31.4	0	0	0	109.8	E398 D399 H414	E398-P412 HydrophobicContact CB-CB 4.4Å; D399-P412 HydrophobicContact CB-CG 4.47Å; P412-H414 PolarHBondContact O-N 2.93Å; P412-H414 VanDerWaalsContact O-N 3.15Å
413	N	82	Confident	87.1	Confident	161 Å²	161	102.3 Å²	102.3	86%	0.861	52%	0.52	S	S	*	.			trans	-75.6	106.3	179.4	-71.6	-18.5	0	0	0	109.3	A411	A411-N413 PolarHBondContact O-N 3.49Å
414	H	82.7	Confident	86.9	Confident	145 Å²	145	106.4 Å²	106.4	67%	0.671	53%	0.529	S	S	*	.			trans	-63.1	149.9	168.5	-61.7	-65	0	0	0	110.5	P412 F416	P412-H414 PolarHBondContact O-N 2.93Å; P412-H414 VanDerWaalsContact O-N 3.15Å; H414-F416 PolarHBondContact O-N 3.42Å
415	N	87.2	Confident	86.6	Confident	107 Å²	107	109.2 Å²	109.2	57%	0.572	54%	0.537	S	S	*	.			trans	-73.5	80.1	179.1	-167.5	-11.6	0	0	0	110.2	K417 K418 F419	N415-K417 PolarHBondContact O-N 3.17Å; N415-K418 HydrophobicContact CB-CB 3.99Å; N415-K418 WeakPolarHBondContact O-CB 3.26Å; N415-K418 PolarHBondContact O-N 2.86Å; N415-F419 PolarHBondContact O-N 3.43Å
416	F	86.1	Confident	86.2	Confident	140 Å²	140	104.7 Å²	104.7	61%	0.614	54%	0.537	S	S	*	.	H	α-helix	trans	-58.3	-35.2	-172.2	-171.7	-100.3	0	0	0	112.7	H414 F419 M420	H414-F416 PolarHBondContact O-N 3.42Å; F416-F419 PolarHBondContact O-N 3.27Å; F416-M420 HydrophobicContact CD1-CG 3.86Å; F416-M420 HydrophobicContact CE1-CG 3.45Å; F416-M420 VanDerWaalsContact CE1-CG 3.45Å; F416-M420 HydrophobicContact CE1-SD 4Å; F416-M420 HydrophobicContact CE2-CG 4.29Å; F416-M420 HydrophobicContact CE2-SD 4.27Å; F416-M420 HydrophobicContact CG-CG 4.44Å; F416-M420 HydrophobicContact CZ-CG 3.69Å; F416-M420 HydrophobicContact CZ-SD 3.66Å; F416-M420 VanDerWaalsContact O-CG 3.31Å; F416-M420 WeakPolarHBondContact O-CG 3.37Å; F416-M420 PolarHBondContact O-N 3.22Å
417	K	87.5	Confident	85.9	Confident	141 Å²	141	111.4 Å²	111.4	61%	0.613	57%	0.569	S	S	*	*	H	α-helix	trans	-61.8	-48.6	175.3	-176.4	178.3	176.5	-179.4	0	111.3	N415 F419 M420 E421	N415-K417 PolarHBondContact O-N 3.17Å; K417-F419 VanDerWaalsContact C-N 3.31Å; K417-F419 PolarHBondContact O-N 3.19Å; K417-M420 PolarHBondContact O-N 3.29Å; K417-E421 WeakPolarHBondContact CE-OE1 3.46Å; K417-E421 IonicContact NZ-OE1 3.89Å; K417-E421 WeakPolarHBondContact O-CB 3.33Å; K417-E421 WeakPolarHBondContact O-CG 3.21Å; K417-E421 PolarHBondContact O-N 2.93Å
418	K	91	Very high	85.5	Confident	50 Å²	50	107.1 Å²	107.1	22%	0.217	54%	0.544	C	S	.	.	H	α-helix	trans	-61.9	-41	177.2	-177.1	175.8	172.4	167.1	0	111.5	N415 L422 L456 D459	N415-K418 HydrophobicContact CB-CB 3.99Å; N415-K418 WeakPolarHBondContact O-CB 3.26Å; N415-K418 PolarHBondContact O-N 2.86Å; K418-L422 HydrophobicContact CG-CD1 3.83Å; K418-L422 WeakPolarHBondContact O-CB 3.31Å; K418-L422 PolarHBondContact O-N 3.43Å; K418-L422 VanDerWaalsContact O-N 3.08Å; K418-L456 WeakPolarHBondContact CE-O 3.42Å; K418-D459 IonicContact NZ-OD1 3.44Å; K418-D459 PolarHBondContact NZ-OD1 3.26Å; K418-D459 IonicContact NZ-OD2 2.65Å; K418-D459 PolarHBondContact NZ-OD2 3.37Å
419	F	88.1	Confident	85.1	Confident	86 Å²	86	102 Å²	102	38%	0.377	52%	0.521	S	S	.	.	H	α-helix	trans	-58.8	-54.3	174	176.5	-99.9	0	0	0	111	N415 F416 K417 E421 L422 D423	N415-F419 PolarHBondContact O-N 3.43Å; F416-F419 PolarHBondContact O-N 3.27Å; K417-F419 VanDerWaalsContact C-N 3.31Å; K417-F419 PolarHBondContact O-N 3.19Å; F419-E421 PolarHBondContact O-N 3.23Å; F419-L422 PolarHBondContact O-N 3.16Å; F419-D423 WeakPolarHBondContact O-CB 3.29Å; F419-D423 PolarHBondContact O-N 3.26Å
420	M	86.9	Confident	85.2	Confident	105 Å²	105	99.4 Å²	99.4	52%	0.517	50%	0.503	S	S	.	.	H	α-helix	trans	-63.3	-36.6	-177.5	-69.2	-64.8	-65.7	0	0	114.1	F416 K417 Q425	F416-M420 HydrophobicContact CD1-CG 3.86Å; F416-M420 HydrophobicContact CE1-CG 3.45Å; F416-M420 VanDerWaalsContact CE1-CG 3.45Å; F416-M420 HydrophobicContact CE1-SD 4Å; F416-M420 HydrophobicContact CE2-CG 4.29Å; F416-M420 HydrophobicContact CE2-SD 4.27Å; F416-M420 HydrophobicContact CG-CG 4.44Å; F416-M420 HydrophobicContact CZ-CG 3.69Å; F416-M420 HydrophobicContact CZ-SD 3.66Å; F416-M420 VanDerWaalsContact O-CG 3.31Å; F416-M420 WeakPolarHBondContact O-CG 3.37Å; F416-M420 PolarHBondContact O-N 3.22Å; K417-M420 PolarHBondContact O-N 3.29Å; M420-Q425 PolarHBondContact O-NE2 2.78Å
421	E	89.1	Confident	85.4	Confident	104 Å²	104	93.3 Å²	93.3	49%	0.486	48%	0.477	S	S	.	.	H	α-helix	trans	-76.4	-33.9	-178.6	-73.8	175.2	176.2	0	0	113	K417 F419	K417-E421 WeakPolarHBondContact CE-OE1 3.46Å; K417-E421 IonicContact NZ-OE1 3.89Å; K417-E421 WeakPolarHBondContact O-CB 3.33Å; K417-E421 WeakPolarHBondContact O-CG 3.21Å; K417-E421 PolarHBondContact O-N 2.93Å; F419-E421 PolarHBondContact O-N 3.23Å
422	L	89	Confident	85.7	Confident	35 Å²	35	89.5 Å²	89.5	18%	0.183	45%	0.446	C	S	.	.	H	α-helix	trans	-113.2	10.1	-173.1	-57.8	172.2	0	0	0	112.8	K418 F419 H430 L456	K418-L422 HydrophobicContact CG-CD1 3.83Å; K418-L422 WeakPolarHBondContact O-CB 3.31Å; K418-L422 PolarHBondContact O-N 3.43Å; K418-L422 VanDerWaalsContact O-N 3.08Å; F419-L422 PolarHBondContact O-N 3.16Å; L422-H430 HydrophobicContact CB-CB 4.39Å; L422-H430 WeakPolarHBondContact O-CB 3.43Å; L422-L456 HydrophobicContact CB-CB 4.21Å; L422-L456 HydrophobicContact CD1-CB 4.04Å; L422-L456 WeakPolarHBondContact CD1-O 3.28Å
423	D	84.5	Confident	86.1	Confident	70 Å²	70	92.5 Å²	92.5	37%	0.374	45%	0.452	S	S	.	.	S	Bend	trans	-76.3	158.9	166.1	-167.3	29.5	0	0	0	110.2	F419 Q425 H430	F419-D423 WeakPolarHBondContact O-CB 3.29Å; F419-D423 PolarHBondContact O-N 3.26Å; D423-Q425 PolarHBondContact O-N 3.11Å; D423-Q425 VanDerWaalsContact O-N 3.11Å; D423-H430 PolarHBondContact O-CD2 2.98Å
424	R	84.4	Confident	86.8	Confident	177 Å²	177	84.9 Å²	84.9	67%	0.668	41%	0.411	S	S	*	.			trans	-58.2	117.1	-172.4	179.2	179.6	176.8	178.8	0	111.8	G426 E428	R424-G426 PolarHBondContact NE-O 3.44Å; R424-E428 WeakPolarHBondContact CA-O 3.36Å
425	Q	79.8	Confident	87.3	Confident	115 Å²	115	79.3 Å²	79.3	54%	0.537	39%	0.391	S	S	.	.	B	Isolated β-bridge	trans	-110.3	98	174.6	-67.3	-179.5	17.7	0	0	110.1	M420 D423 L427 E428	M420-Q425 PolarHBondContact O-NE2 2.78Å; D423-Q425 PolarHBondContact O-N 3.11Å; D423-Q425 VanDerWaalsContact O-N 3.11Å; Q425-L427 PolarHBondContact O-N 3Å; Q425-L427 VanDerWaalsContact O-N 3.15Å; Q425-E428 PolarHBondContact N-O 2.97Å; Q425-E428 PolarHBondContact O-N 3.45Å
426	G	79.1	Confident	87.5	Confident	61 Å²	61	74.3 Å²	74.3	63%	0.629	36%	0.364	S	S	*	.	T	Hydrogen-bonded Turn	trans	64	-112.2	179.6	0	0	0	0	0	113.2	R424	R424-G426 PolarHBondContact NE-O 3.44Å
427	L	78.2	Confident	87.8	Confident	179 Å²	179	73 Å²	73	94%	0.937	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-17.5	176.9	-69.8	166.4	0	0	0	112.7	Q425 S429	Q425-L427 PolarHBondContact O-N 3Å; Q425-L427 VanDerWaalsContact O-N 3.15Å; L427-S429 PolarHBondContact O-N 3.38Å
428	E	78.9	Confident	88	Confident	92 Å²	92	66.7 Å²	66.7	43%	0.43	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-82.5	116.1	175.9	-63.9	-160.8	172	0	0	110.2	R424 Q425 H430	R424-E428 WeakPolarHBondContact CA-O 3.36Å; Q425-E428 PolarHBondContact N-O 2.97Å; Q425-E428 PolarHBondContact O-N 3.45Å; E428-H430 IonicContact OE2-CE1 3.86Å; E428-H430 PolarHBondContact OE2-CE1 3.43Å; E428-H430 IonicContact OE2-NE2 3.66Å
429	S	81.1	Confident	88	Confident	32 Å²	32	67 Å²	67	22%	0.224	33%	0.332	C	S	.	.			trans	-91.8	-20.4	-175.6	63.8	0	0	0	0	114.6	L427 I431	L427-S429 PolarHBondContact O-N 3.38Å; S429-I431 WeakPolarHBondContact O-CG1 3.28Å; S429-I431 PolarHBondContact O-N 3.25Å
430	H	89.9	Confident	88	Confident	15 Å²	15	64.4 Å²	64.4	7%	0.069	33%	0.325	C	S	.	.			trans	51.4	33.5	-172.7	-57.5	-57.8	0	0	0	113.8	L422 D423 E428 L456 Y526 Y530	L422-H430 HydrophobicContact CB-CB 4.39Å; L422-H430 WeakPolarHBondContact O-CB 3.43Å; D423-H430 PolarHBondContact O-CD2 2.98Å; E428-H430 IonicContact OE2-CE1 3.86Å; E428-H430 PolarHBondContact OE2-CE1 3.43Å; E428-H430 IonicContact OE2-NE2 3.66Å; H430-L456 HydrophobicContact CB-CB 4.48Å; H430-L456 HydrophobicContact CB-CD1 4.34Å; H430-L456 WeakPolarHBondContact O-CB 3.46Å; H430-L456 VanDerWaalsContact O-CG 3.25Å; H430-L456 WeakPolarHBondContact O-CG 3.3Å; H430-L456 PolarHBondContact O-N 3.31Å; H430-Y526 VanDerWaalsContact CA-OH 3.3Å; H430-Y526 WeakPolarHBondContact CA-OH 3.31Å; H430-Y526 PolarHBondContact N-OH 2.84Å; H430-Y526 PolarHBondContact ND1-OH 2.62Å; H430-Y530 AromaticContact ND1-CE2 3.9Å
431	I	93.6	Very high	88	Confident	25 Å²	25	62.8 Å²	62.8	13%	0.128	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	121.6	173.3	-57.6	168.4	0	0	0	107.9	S429 R433 C454 Y455 Y526	S429-I431 WeakPolarHBondContact O-CG1 3.28Å; S429-I431 PolarHBondContact O-N 3.25Å; I431-R433 HydrophobicContact CG2-CG 4Å; I431-C454 WeakPolarHBondContact CA-O 3.13Å; I431-Y455 HydrophobicContact CD1-CD1 3.85Å; I431-Y455 HydrophobicContact CD1-CE1 3.44Å; I431-Y455 VanDerWaalsContact CD1-CE1 3.44Å; I431-Y455 HydrophobicContact CG1-CD1 3.69Å; I431-Y455 HydrophobicContact CG1-CE1 3.81Å; I431-Y455 HydrophobicContact CG1-CG 4.48Å; I431-Y455 HydrophobicContact CG2-CE1 4.48Å; I431-Y526 WeakPolarHBondContact O-CE1 3.27Å
432	L	94.5	Very high	88	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	111.9	173.8	-57.5	-171.3	0	0	0	108.9	F434 S453 C454 L456 T527 Y530 M531 F538	L432-F434 HydrophobicContact CB-CE2 3.74Å; L432-F434 HydrophobicContact CB-CZ 4.18Å; L432-S453 WeakPolarHBondContact O-CA 3.26Å; L432-C454 HydrophobicContact CB-CB 4.34Å; L432-C454 PolarHBondContact N-O 2.67Å; L432-C454 PolarHBondContact O-N 3.44Å; L432-L456 HydrophobicContact CD1-CD1 4.31Å; L432-L456 HydrophobicContact CD1-CD2 3.76Å; L432-L456 HydrophobicContact CD1-CG 4.37Å; L432-L456 HydrophobicContact CD2-CD1 4.07Å; L432-L456 HydrophobicContact CG-CD1 3.95Å; L432-L456 HydrophobicContact CG-CD2 3.94Å; L432-L456 HydrophobicContact CG-CG 4.02Å; L432-T527 HydrophobicContact CB-CG2 3.88Å; L432-T527 HydrophobicContact CD2-CG2 4.05Å; L432-T527 HydrophobicContact CG-CG2 4.39Å; L432-Y530 HydrophobicContact CD1-CD1 4.32Å; L432-Y530 HydrophobicContact CD2-CD1 3.55Å; L432-Y530 HydrophobicContact CD2-CE1 4.24Å; L432-Y530 HydrophobicContact CD2-CG 3.82Å; L432-Y530 HydrophobicContact CG-CD1 4.48Å; L432-M531 HydrophobicContact CD1-CE 4.18Å; L432-F538 HydrophobicContact CD1-CE1 4.15Å; L432-F538 HydrophobicContact CD1-CZ 3.8Å
433	R	95.3	Very high	87.8	Confident	102 Å²	102	69.1 Å²	69.1	39%	0.385	36%	0.364	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.4	133.5	179.5	-63.4	-178.3	-174.8	149	2.9	110.8	I431 I452 D524 T527	I431-R433 HydrophobicContact CG2-CG 4Å; R433-I452 WeakPolarHBondContact CA-O 3.35Å; R433-D524 HydrophobicContact CB-CB 4.42Å; R433-D524 WeakPolarHBondContact CB-OD2 3.33Å; R433-D524 WeakPolarHBondContact CD-OD2 3.38Å; R433-D524 PolarHBondContact O-N 3.14Å; R433-T527 PolarHBondContact N-OG1 2.71Å; R433-T527 PolarHBondContact O-OG1 2.86Å
434	F	95.1	Very high	87.8	Confident	1 Å²	1	71.5 Å²	71.5	0%	0.004	38%	0.375	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	141	177	-55.5	-93.6	0	0	0	109.5	L432 V451 I452 L505 L520 E522 A523 T527 M531	L432-F434 HydrophobicContact CB-CE2 3.74Å; L432-F434 HydrophobicContact CB-CZ 4.18Å; F434-V451 CarbonylContact O-C 3.57Å; F434-V451 WeakPolarHBondContact O-CA 3.27Å; F434-I452 PolarHBondContact N-O 2.93Å; F434-I452 PolarHBondContact O-N 3.19Å; F434-L505 HydrophobicContact CD2-CB 4.46Å; F434-L505 HydrophobicContact CD2-CD2 3.97Å; F434-L505 HydrophobicContact CE1-CB 4.5Å; F434-L505 HydrophobicContact CE2-CB 3.75Å; F434-L505 HydrophobicContact CE2-CD2 3.8Å; F434-L505 HydrophobicContact CE2-CG 4.44Å; F434-L505 HydrophobicContact CZ-CB 3.74Å; F434-L520 HydrophobicContact CB-CD1 4.31Å; F434-L520 HydrophobicContact CB-CD2 3.94Å; F434-L520 HydrophobicContact CD1-CD1 3.98Å; F434-L520 HydrophobicContact CD2-CD1 4.41Å; F434-L520 HydrophobicContact CE1-CD1 4.38Å; F434-L520 HydrophobicContact CG-CD1 3.98Å; F434-L520 HydrophobicContact CG-CD2 4.47Å; F434-E522 CarbonylContact C-O 3.5Å; F434-E522 VanDerWaalsContact CA-O 3.3Å; F434-E522 WeakPolarHBondContact CA-O 3.45Å; F434-A523 HydrophobicContact CD1-CB 3.66Å; F434-A523 HydrophobicContact CE1-CB 3.99Å; F434-T527 HydrophobicContact CD1-CG2 4.39Å; F434-T527 HydrophobicContact CE1-CG2 3.76Å; F434-T527 HydrophobicContact CE2-CG2 4.19Å; F434-T527 HydrophobicContact CZ-CG2 3.67Å; F434-M531 HydrophobicContact CE1-CE 3.62Å; F434-M531 HydrophobicContact CZ-CE 3.3Å
435	A	93.6	Very high	87.9	Confident	29 Å²	29	64 Å²	64	24%	0.24	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	136	159.8	0	0	0	0	0	108	F450 L520 T521 E522	A435-F450 CarbonylContact C-O 3.57Å; A435-F450 WeakPolarHBondContact CA-O 3.28Å; A435-L520 CarbonylContact O-C 3.58Å; A435-T521 PolarHBondContact O-N 3.36Å; A435-T521 PolarHBondContact O-OG1 3.23Å; A435-E522 HydrophobicContact CB-CB 4.13Å; A435-E522 PolarHBondContact N-O 2.8Å; A435-E522 PolarHBondContact O-N 2.94Å
436	G	92.1	Very high	87.9	Confident	1 Å²	1	65.7 Å²	65.7	1%	0.01	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.8	157.9	175.1	0	0	0	0	0	111.6	F450 E519	G436-F450 PolarHBondContact N-O 3.09Å; G436-F450 PolarHBondContact O-N 2.84Å; G436-E519 CarbonylContact C-O 3.4Å; G436-E519 WeakPolarHBondContact CA-O 3.48Å
437	R	91.9	Very high	88.1	Confident	112 Å²	112	69 Å²	69	42%	0.423	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	151.9	171.5	67.6	178.9	-179	174.1	-3.8	110.2	F518 E519 T521	R437-F518 WeakPolarHBondContact O-CA 3.22Å; R437-E519 HydrophobicContact CG-CB 4.18Å; R437-E519 IonicContact CZ-OE2 3.63Å; R437-E519 PolarHBondContact N-O 2.98Å; R437-E519 IonicContact NE-OE2 3.33Å; R437-E519 PolarHBondContact NE-OE2 2.72Å; R437-E519 IonicContact NH2-OE1 3.38Å; R437-E519 IonicContact NH2-OE2 2.81Å; R437-E519 PolarHBondContact NH2-OE2 3.21Å; R437-E519 PolarHBondContact O-N 3.33Å; R437-T521 HydrophobicContact CB-CG2 4.36Å; R437-T521 HydrophobicContact CG-CG2 3.82Å
438	L	92.2	Very high	88.7	Confident	10 Å²	10	62 Å²	62	5%	0.052	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	122.9	-179.9	-163.5	153	0	0	0	110.1	S440 D445 F450 F478 F516 F518	L438-S440 PolarHBondContact O-N 3.03Å; L438-D445 HydrophobicContact CD2-CB 4.16Å; L438-F450 HydrophobicContact CB-CD2 4.44Å; L438-F450 HydrophobicContact CB-CE2 3.74Å; L438-F450 HydrophobicContact CB-CZ 4.45Å; L438-F450 HydrophobicContact CD1-CE2 4.25Å; L438-F450 HydrophobicContact CD1-CZ 4.15Å; L438-F478 HydrophobicContact CD1-CZ 4.41Å; L438-F516 HydrophobicContact CD1-CD1 4.08Å; L438-F518 HydrophobicContact CB-CD1 4.4Å; L438-F518 HydrophobicContact CB-CE1 4.13Å; L438-F518 HydrophobicContact CD1-CE1 4.14Å; L438-F518 HydrophobicContact CD1-CZ 3.96Å; L438-F518 HydrophobicContact CG-CE1 4.3Å; L438-F518 HydrophobicContact CG-CZ 4.45Å
439	L	91.2	Very high	89.2	Confident	56 Å²	56	63.9 Å²	63.9	29%	0.293	32%	0.323	S	S	.	.			trans	-87.1	85.8	175.4	-63.9	-177	0	0	0	109.7	K510 L517 E519	L439-K510 HydrophobicContact CD1-CD 3.98Å; L439-K510 HydrophobicContact CD1-CG 4.07Å; L439-L517 HydrophobicContact CB-CB 4.17Å; L439-L517 HydrophobicContact CB-CD2 3.94Å; L439-L517 HydrophobicContact CB-CG 4.13Å; L439-L517 WeakPolarHBondContact CB-O 3.21Å; L439-L517 HydrophobicContact CD1-CD2 3.77Å; L439-L517 HydrophobicContact CD1-CG 4.05Å; L439-L517 HydrophobicContact CG-CD2 4.49Å; L439-L517 PolarHBondContact N-O 3.45Å; L439-E519 HydrophobicContact CD1-CB 3.97Å; L439-E519 HydrophobicContact CD2-CB 4.25Å; L439-E519 HydrophobicContact CG-CB 4.03Å
440	S	87.9	Confident	89.8	Confident	32 Å²	32	62.4 Å²	62.4	22%	0.224	31%	0.312	C	S	.	.			trans	-116.4	149.5	177	166.4	0	0	0	0	111.3	L438 R442 D445	L438-S440 PolarHBondContact O-N 3.03Å; S440-R442 PolarHBondContact O-N 3.32Å; S440-R442 WeakPolarHBondContact OG-CB 3.27Å; S440-R442 PolarHBondContact OG-N 3.46Å; S440-D445 PolarHBondContact OG-OD2 3.36Å; S440-D445 VanDerWaalsContact OG-OD2 3.12Å
441	G	86.6	Confident	90.1	Very high	71 Å²	71	64 Å²	64	73%	0.732	32%	0.323	S	S	*	.	S	Bend	trans	-65.3	-19.3	170.6	0	0	0	0	0	112.8
442	R	88.3	Confident	90.2	Very high	179 Å²	179	62.8 Å²	62.8	68%	0.675	32%	0.317	S	S	*	.	S	Bend	trans	-78.3	125.1	179	-62.1	179.6	179.3	178.5	0.5	110	S440 I444 D445	S440-R442 PolarHBondContact O-N 3.32Å; S440-R442 WeakPolarHBondContact OG-CB 3.27Å; S440-R442 PolarHBondContact OG-N 3.46Å; R442-I444 PolarHBondContact O-N 2.92Å; R442-D445 WeakPolarHBondContact CB-OD2 3.45Å; R442-D445 PolarHBondContact O-N 3.35Å
443	P	85.1	Confident	90.2	Very high	93 Å²	93	63.3 Å²	63.3	60%	0.604	32%	0.32	S	S	*	.	G	3₁₀ helix	trans	-62.8	-31.2	-176.5	22.4	-31.3	0	0	0	113	D445 R446	P443-D445 VanDerWaalsContact C-N 3.28Å; P443-D445 PolarHBondContact O-N 2.87Å; P443-R446 PolarHBondContact O-N 2.75Å
444	I	84.8	Confident	90.2	Very high	119 Å²	119	58.5 Å²	58.5	61%	0.61	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-66.3	-29.9	-178.7	-57	166.7	0	0	0	111.9	R442 F473	R442-I444 PolarHBondContact O-N 2.92Å; I444-F473 HydrophobicContact CG2-CE2 3.54Å; I444-F473 HydrophobicContact CG2-CZ 3.56Å
445	D	86.3	Confident	90.2	Very high	20 Å²	20	60.9 Å²	60.9	11%	0.107	31%	0.312	C	S	.	.	G	3₁₀ helix	trans	-80.4	-17.3	-178.3	-70.3	-40.6	0	0	0	113	L438 S440 R442 P443 D447 R448	L438-D445 HydrophobicContact CD2-CB 4.16Å; S440-D445 PolarHBondContact OG-OD2 3.36Å; S440-D445 VanDerWaalsContact OG-OD2 3.12Å; R442-D445 WeakPolarHBondContact CB-OD2 3.45Å; R442-D445 PolarHBondContact O-N 3.35Å; P443-D445 VanDerWaalsContact C-N 3.28Å; P443-D445 PolarHBondContact O-N 2.87Å; D445-D447 VanDerWaalsContact C-N 3.27Å; D445-D447 PolarHBondContact O-N 3.09Å; D445-R448 WeakPolarHBondContact O-CB 3.43Å; D445-R448 PolarHBondContact O-N 3.17Å; D445-R448 IonicContact OD1-NH1 2.71Å; D445-R448 PolarHBondContact OD1-NH1 3.32Å; D445-R448 VanDerWaalsContact OD1-NH1 3.12Å
446	R	80.6	Confident	90.2	Very high	151 Å²	151	59.8 Å²	59.8	57%	0.57	30%	0.302	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-30	-172	-68.8	-175.9	-177.4	176	2.1	113.6	P443	P443-R446 PolarHBondContact O-N 2.75Å
447	D	83.1	Confident	90.2	Very high	130 Å²	130	60.3 Å²	60.3	70%	0.695	31%	0.306	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.5	-4	-176.3	-61.9	-22.8	0	0	0	112.4	D445 Q449	D445-D447 VanDerWaalsContact C-N 3.27Å; D445-D447 PolarHBondContact O-N 3.09Å; D447-Q449 PolarHBondContact O-N 3.49Å
448	R	90.4	Very high	90.1	Very high	32 Å²	32	57.8 Å²	57.8	12%	0.121	30%	0.3	C	S	.	.			trans	-75.5	125.4	179.5	-63.5	174.2	67.8	-170	-0.9	110.4	D445 F450 E465 F473	D445-R448 WeakPolarHBondContact O-CB 3.43Å; D445-R448 PolarHBondContact O-N 3.17Å; D445-R448 IonicContact OD1-NH1 2.71Å; D445-R448 PolarHBondContact OD1-NH1 3.32Å; D445-R448 VanDerWaalsContact OD1-NH1 3.12Å; R448-F450 HydrophobicContact CB-CE2 3.58Å; R448-F450 HydrophobicContact CB-CZ 3.97Å; R448-E465 IonicContact CZ-OE1 3.21Å; R448-E465 IonicContact CZ-OE2 2.73Å; R448-E465 IonicContact NE-OE1 3.17Å; R448-E465 PolarHBondContact NE-OE1 2.93Å; R448-E465 IonicContact NE-OE2 3.31Å; R448-E465 IonicContact NH2-OE1 2.93Å; R448-E465 PolarHBondContact NH2-OE1 2.67Å; R448-E465 IonicContact NH2-OE2 3.59Å; R448-E465 PolarHBondContact NH2-OE2 2.8Å; R448-F473 HydrophobicContact CG-CD2 4.14Å; R448-F473 HydrophobicContact CG-CE2 4.09Å
449	Q	90.3	Very high	90.2	Very high	131 Å²	131	59.1 Å²	59.1	61%	0.612	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.6	142.5	177.1	-65.1	-171.6	-19	0	0	110.2	D447 P466	D447-Q449 PolarHBondContact O-N 3.49Å; Q449-P466 WeakPolarHBondContact O-CD 3.32Å
450	F	94	Very high	90.3	Very high	1 Å²	1	57 Å²	57	0%	0.004	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	146.4	-178.1	-61	-95.7	0	0	0	109.5	A435 G436 L438 R448 I463 F464 E465 F478 F518	A435-F450 CarbonylContact C-O 3.57Å; A435-F450 WeakPolarHBondContact CA-O 3.28Å; G436-F450 PolarHBondContact N-O 3.09Å; G436-F450 PolarHBondContact O-N 2.84Å; L438-F450 HydrophobicContact CB-CD2 4.44Å; L438-F450 HydrophobicContact CB-CE2 3.74Å; L438-F450 HydrophobicContact CB-CZ 4.45Å; L438-F450 HydrophobicContact CD1-CE2 4.25Å; L438-F450 HydrophobicContact CD1-CZ 4.15Å; R448-F450 HydrophobicContact CB-CE2 3.58Å; R448-F450 HydrophobicContact CB-CZ 3.97Å; F450-I463 HydrophobicContact CB-CG2 3.88Å; F450-I463 HydrophobicContact CD1-CG2 3.9Å; F450-I463 HydrophobicContact CG-CG2 4.24Å; F450-F464 CarbonylContact C-O 3.53Å; F450-E465 HydrophobicContact CD1-CB 3.82Å; F450-E465 HydrophobicContact CD1-CG 4.3Å; F450-E465 HydrophobicContact CE1-CB 3.86Å; F450-E465 HydrophobicContact CE1-CG 4.1Å; F450-F478 HydrophobicContact CD1-CB 4.26Å; F450-F478 HydrophobicContact CD1-CD2 4.36Å; F450-F478 HydrophobicContact CD1-CG 4.21Å; F450-F478 HydrophobicContact CE1-CB 4.25Å; F450-F478 AromaticContact CE1-CD2 3.57Å; F450-F478 HydrophobicContact CE1-CD2 3.57Å; F450-F478 HydrophobicContact CE1-CE2 4.02Å; F450-F478 AromaticContact CE1-CG 3.88Å; F450-F478 HydrophobicContact CE1-CG 3.88Å; F450-F478 HydrophobicContact CZ-CD2 4.38Å; F450-F478 HydrophobicContact CZ-CE2 4.41Å; F450-F518 HydrophobicContact CB-CE1 4.13Å; F450-F518 HydrophobicContact CD1-CE1 4.09Å; F450-F518 HydrophobicContact CD2-CD1 4.23Å; F450-F518 AromaticContact CD2-CE1 3.55Å; F450-F518 HydrophobicContact CD2-CE1 3.55Å; F450-F518 HydrophobicContact CE1-CE1 4.4Å; F450-F518 AromaticContact CE2-CE1 3.9Å; F450-F518 HydrophobicContact CE2-CE1 3.9Å; F450-F518 HydrophobicContact CG-CD1 4.45Å; F450-F518 AromaticContact CG-CE1 3.65Å; F450-F518 HydrophobicContact CG-CE1 3.65Å; F450-F518 HydrophobicContact CG-CZ 4.5Å; F450-F518 HydrophobicContact CZ-CE1 4.3Å
451	V	94.7	Very high	90.7	Very high	48 Å²	48	55.5 Å²	55.5	29%	0.291	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	112.3	169.8	-178.6	0	0	0	0	107.4	F434 I463 F464	F434-V451 CarbonylContact O-C 3.57Å; F434-V451 WeakPolarHBondContact O-CA 3.27Å; V451-I463 WeakPolarHBondContact O-CA 3.46Å; V451-F464 PolarHBondContact N-O 3.28Å; V451-F464 PolarHBondContact O-N 3.37Å
452	I	95.7	Very high	91.1	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	114.4	179.4	-63	161.6	0	0	0	107.1	R433 F434 I461 I463 L505 F513 F518 L520	R433-I452 WeakPolarHBondContact CA-O 3.35Å; F434-I452 PolarHBondContact N-O 2.93Å; F434-I452 PolarHBondContact O-N 3.19Å; I452-I461 HydrophobicContact CG2-CG2 3.77Å; I452-I463 HydrophobicContact CG1-CG1 4.17Å; I452-I463 HydrophobicContact CG1-CG2 4.07Å; I452-L505 HydrophobicContact CG2-CD2 4.13Å; I452-F513 HydrophobicContact CD1-CE2 4.21Å; I452-F513 HydrophobicContact CG2-CE2 4.01Å; I452-F518 HydrophobicContact CD1-CB 4.11Å; I452-F518 HydrophobicContact CD1-CD1 4.18Å; I452-F518 HydrophobicContact CD1-CG 4.21Å; I452-L520 HydrophobicContact CB-CD2 4.37Å; I452-L520 HydrophobicContact CD1-CD2 3.31Å; I452-L520 HydrophobicContact CG1-CD2 4.41Å
453	S	95.7	Very high	91.5	Very high	11 Å²	11	44.1 Å²	44.1	8%	0.077	22%	0.223	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	118.5	-180	-60.6	0	0	0	0	109.8	L432 I461 S462	L432-S453 WeakPolarHBondContact O-CA 3.26Å; S453-I461 CarbonylContact O-C 3.46Å; S453-I461 WeakPolarHBondContact O-CA 3.32Å; S453-S462 PolarHBondContact N-O 3.37Å; S453-S462 PolarHBondContact O-N 2.8Å
454	C	95.4	Very high	92	Very high	1 Å²	1	44.1 Å²	44.1	1%	0.007	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	120.9	173.1	-179.6	0	0	0	0	109.7	I431 L432 T460 I461 L505	I431-C454 WeakPolarHBondContact CA-O 3.13Å; L432-C454 HydrophobicContact CB-CB 4.34Å; L432-C454 PolarHBondContact N-O 2.67Å; L432-C454 PolarHBondContact O-N 3.44Å; C454-T460 WeakPolarHBondContact CA-O 3.42Å; C454-I461 HydrophobicContact CB-CG1 4.46Å; C454-L505 HydrophobicContact CB-CD2 3.94Å
455	Y	94.7	Very high	92.4	Very high	51 Å²	51	39.3 Å²	39.3	20%	0.2	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	115.8	-179.7	-64.9	-98.4	0	0	0	109.4	I431 S457 D458 D459 T460 S462 R481	I431-Y455 HydrophobicContact CD1-CD1 3.85Å; I431-Y455 HydrophobicContact CD1-CE1 3.44Å; I431-Y455 VanDerWaalsContact CD1-CE1 3.44Å; I431-Y455 HydrophobicContact CG1-CD1 3.69Å; I431-Y455 HydrophobicContact CG1-CE1 3.81Å; I431-Y455 HydrophobicContact CG1-CG 4.48Å; I431-Y455 HydrophobicContact CG2-CE1 4.48Å; Y455-S457 VanDerWaalsContact C-N 3.28Å; Y455-S457 PolarHBondContact O-N 2.76Å; Y455-D458 WeakPolarHBondContact CB-OD1 3.35Å; Y455-D459 WeakPolarHBondContact O-CA 3.3Å; Y455-D459 PolarHBondContact O-N 3.48Å; Y455-T460 PolarHBondContact N-O 2.82Å; Y455-S462 WeakPolarHBondContact CE2-OG 3.26Å; Y455-R481 VanDerWaalsContact CD1-CZ 3.44Å; Y455-R481 HydrophobicContact CD2-CG 3.97Å; Y455-R481 HydrophobicContact CE2-CG 4.03Å
456	L	93.5	Very high	92.6	Very high	7 Å²	7	41 Å²	41	4%	0.037	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.3	-18.1	-173.5	-64.5	178.3	0	0	0	113.9	K418 L422 H430 L432 P502 Y530	K418-L456 WeakPolarHBondContact CE-O 3.42Å; L422-L456 HydrophobicContact CB-CB 4.21Å; L422-L456 HydrophobicContact CD1-CB 4.04Å; L422-L456 WeakPolarHBondContact CD1-O 3.28Å; H430-L456 HydrophobicContact CB-CB 4.48Å; H430-L456 HydrophobicContact CB-CD1 4.34Å; H430-L456 WeakPolarHBondContact O-CB 3.46Å; H430-L456 VanDerWaalsContact O-CG 3.25Å; H430-L456 WeakPolarHBondContact O-CG 3.3Å; H430-L456 PolarHBondContact O-N 3.31Å; L432-L456 HydrophobicContact CD1-CD1 4.31Å; L432-L456 HydrophobicContact CD1-CD2 3.76Å; L432-L456 HydrophobicContact CD1-CG 4.37Å; L432-L456 HydrophobicContact CD2-CD1 4.07Å; L432-L456 HydrophobicContact CG-CD1 3.95Å; L432-L456 HydrophobicContact CG-CD2 3.94Å; L432-L456 HydrophobicContact CG-CG 4.02Å; L456-P502 HydrophobicContact CD2-CB 3.54Å; L456-P502 HydrophobicContact CD2-CG 3.58Å; L456-Y530 HydrophobicContact CD1-CD1 4.13Å; L456-Y530 HydrophobicContact CD1-CE1 3.38Å; L456-Y530 HydrophobicContact CD1-CE2 3.97Å; L456-Y530 WeakPolarHBondContact CD1-OH 3.41Å
457	S	91.9	Very high	92.9	Very high	12 Å²	12	41.7 Å²	41.7	8%	0.084	21%	0.21	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71	-33.6	-178.8	52.4	0	0	0	0	113.6	Y455 R481	Y455-S457 VanDerWaalsContact C-N 3.28Å; Y455-S457 PolarHBondContact O-N 2.76Å; S457-R481 PolarHBondContact OG-NH2 3.37Å
458	D	90.7	Very high	93	Very high	58 Å²	58	41.1 Å²	41.1	31%	0.31	20%	0.204	S	C	.	.	T	Hydrogen-bonded Turn	trans	-134.4	7	-174.9	63.2	-5.8	0	0	0	114.8	Y455 T460 R481 K483	Y455-D458 WeakPolarHBondContact CB-OD1 3.35Å; D458-T460 HydrophobicContact CB-CG2 4.34Å; D458-T460 VanDerWaalsContact CG-CG2 3.48Å; D458-T460 VanDerWaalsContact CG-OG1 3.26Å; D458-T460 PolarHBondContact O-N 2.77Å; D458-T460 PolarHBondContact OD1-N 2.91Å; D458-T460 PolarHBondContact OD1-OG1 2.98Å; D458-T460 WeakPolarHBondContact OD2-CG2 3.47Å; D458-T460 PolarHBondContact OD2-OG1 3.28Å; D458-R481 IonicContact OD1-CZ 3.96Å; D458-R481 IonicContact OD1-NE 2.92Å; D458-R481 IonicContact OD1-NH2 3.45Å; D458-R481 PolarHBondContact OD1-NH2 3.22Å; D458-R481 IonicContact OD2-CZ 2.66Å; D458-R481 IonicContact OD2-NE 3.66Å; D458-R481 PolarHBondContact OD2-NE 3.36Å; D458-R481 IonicContact OD2-NH2 2.81Å; D458-R481 PolarHBondContact OD2-NH2 3.25Å; D458-K483 WeakPolarHBondContact O-CE 3.38Å
459	D	92.9	Very high	92.7	Very high	38 Å²	38	48.8 Å²	48.8	20%	0.203	24%	0.238	C	C	.	.	T	Hydrogen-bonded Turn	trans	59.5	26.1	-178.9	-58.5	-41.9	0	0	0	114.2	K418 Y455 P502	K418-D459 IonicContact NZ-OD1 3.44Å; K418-D459 PolarHBondContact NZ-OD1 3.26Å; K418-D459 IonicContact NZ-OD2 2.65Å; K418-D459 PolarHBondContact NZ-OD2 3.37Å; Y455-D459 WeakPolarHBondContact O-CA 3.3Å; Y455-D459 PolarHBondContact O-N 3.48Å; D459-P502 WeakPolarHBondContact OD1-CD 3.23Å; D459-P502 WeakPolarHBondContact OD1-CG 3.49Å
460	T	94.4	Very high	92.3	Very high	12 Å²	12	50.8 Å²	50.8	7%	0.074	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.9	154.1	176.4	57.4	0	0	0	0	111.5	C454 Y455 D458 R481 S482 K483	C454-T460 WeakPolarHBondContact CA-O 3.42Å; Y455-T460 PolarHBondContact N-O 2.82Å; D458-T460 HydrophobicContact CB-CG2 4.34Å; D458-T460 VanDerWaalsContact CG-CG2 3.48Å; D458-T460 VanDerWaalsContact CG-OG1 3.26Å; D458-T460 PolarHBondContact O-N 2.77Å; D458-T460 PolarHBondContact OD1-N 2.91Å; D458-T460 PolarHBondContact OD1-OG1 2.98Å; D458-T460 WeakPolarHBondContact OD2-CG2 3.47Å; D458-T460 PolarHBondContact OD2-OG1 3.28Å; T460-R481 HydrophobicContact CG2-CG 4.29Å; T460-R481 WeakPolarHBondContact OG1-CG 3.44Å; T460-R481 PolarHBondContact OG1-NE 3.12Å; T460-S482 WeakPolarHBondContact CA-O 3.49Å; T460-K483 HydrophobicContact CG2-CG 4.08Å
461	I	95.9	Very high	91.8	Very high	1 Å²	1	52.8 Å²	52.8	1%	0.005	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	136	179.2	-59.8	171.5	0	0	0	107.8	I452 S453 C454 I463 L479 R481 S482 I484 L505 F513	I452-I461 HydrophobicContact CG2-CG2 3.77Å; S453-I461 CarbonylContact O-C 3.46Å; S453-I461 WeakPolarHBondContact O-CA 3.32Å; C454-I461 HydrophobicContact CB-CG1 4.46Å; I461-I463 HydrophobicContact CG2-CG1 4.31Å; I461-L479 WeakPolarHBondContact O-CD2 3.49Å; I461-R481 WeakPolarHBondContact O-CA 3.1Å; I461-S482 PolarHBondContact N-O 3.25Å; I461-S482 PolarHBondContact O-N 3.38Å; I461-S482 VanDerWaalsContact O-N 3.1Å; I461-I484 HydrophobicContact CB-CD1 3.82Å; I461-I484 HydrophobicContact CB-CG1 4.34Å; I461-I484 HydrophobicContact CD1-CD1 4.15Å; I461-I484 HydrophobicContact CG2-CD1 3.96Å; I461-L505 HydrophobicContact CD1-CD1 4.2Å; I461-F513 HydrophobicContact CD1-CE1 3.96Å; I461-F513 HydrophobicContact CD1-CZ 3.91Å; I461-F513 HydrophobicContact CG2-CE2 4.39Å; I461-F513 HydrophobicContact CG2-CZ 4.45Å
462	S	96	Very high	91.3	Very high	11 Å²	11	54.4 Å²	54.4	8%	0.077	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	148	165.7	71.8	0	0	0	0	109.7	S453 Y455 L479	S453-S462 PolarHBondContact N-O 3.37Å; S453-S462 PolarHBondContact O-N 2.8Å; Y455-S462 WeakPolarHBondContact CE2-OG 3.26Å; S462-L479 WeakPolarHBondContact CA-O 3.29Å
463	I	96	Very high	90.8	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	127	-179.2	-50.8	176.9	0	0	0	107.7	F450 V451 I452 I461 F478 L479 F513 F518	F450-I463 HydrophobicContact CB-CG2 3.88Å; F450-I463 HydrophobicContact CD1-CG2 3.9Å; F450-I463 HydrophobicContact CG-CG2 4.24Å; V451-I463 WeakPolarHBondContact O-CA 3.46Å; I452-I463 HydrophobicContact CG1-CG1 4.17Å; I452-I463 HydrophobicContact CG1-CG2 4.07Å; I461-I463 HydrophobicContact CG2-CG1 4.31Å; I463-F478 HydrophobicContact CB-CB 4.17Å; I463-F478 HydrophobicContact CB-CD1 4.21Å; I463-F478 HydrophobicContact CD1-CD1 4.38Å; I463-F478 HydrophobicContact CG2-CB 3.98Å; I463-F478 HydrophobicContact CG2-CD1 4.03Å; I463-F478 HydrophobicContact CG2-CG 4.31Å; I463-F478 WeakPolarHBondContact O-CA 3.43Å; I463-F478 WeakPolarHBondContact O-CB 3.45Å; I463-F478 PolarHBondContact O-N 2.92Å; I463-L479 HydrophobicContact CB-CB 3.9Å; I463-L479 HydrophobicContact CD1-CB 4.01Å; I463-L479 HydrophobicContact CD1-CD1 4.46Å; I463-L479 HydrophobicContact CG1-CB 3.93Å; I463-L479 HydrophobicContact CG1-CD2 4.36Å; I463-L479 PolarHBondContact N-O 2.89Å; I463-L479 PolarHBondContact O-N 2.89Å; I463-F513 HydrophobicContact CD1-CB 4.31Å; I463-F513 HydrophobicContact CD1-CD2 3.55Å; I463-F513 HydrophobicContact CD1-CE2 4.24Å; I463-F513 HydrophobicContact CD1-CG 4.32Å; I463-F518 HydrophobicContact CD1-CD2 4.44Å; I463-F518 HydrophobicContact CD1-CE2 3.95Å; I463-F518 HydrophobicContact CD1-CZ 4.25Å; I463-F518 HydrophobicContact CG2-CE1 4.5Å; I463-F518 HydrophobicContact CG2-CZ 4.38Å
464	F	94.7	Very high	90.2	Very high	93 Å²	93	66.3 Å²	66.3	41%	0.408	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.7	128.9	-179	-178.5	-93.7	0	0	0	110.3	F450 V451 P466 G476	F450-F464 CarbonylContact C-O 3.53Å; V451-F464 PolarHBondContact N-O 3.28Å; V451-F464 PolarHBondContact O-N 3.37Å; F464-P466 WeakPolarHBondContact O-CD 3.39Å; F464-G476 CarbonylContact C-O 3.52Å; F464-G476 WeakPolarHBondContact CA-O 3.23Å; F464-G476 VanDerWaalsContact CD2-C 3.43Å; F464-G476 WeakPolarHBondContact CD2-O 3.36Å; F464-G476 VanDerWaalsContact CE2-C 3.49Å
465	E	94	Very high	89.8	Confident	18 Å²	18	66.8 Å²	66.8	8%	0.084	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.1	112.6	173.9	-175.8	170.2	-163.9	0	0	109.3	R448 F450 G475 G476	R448-E465 IonicContact CZ-OE1 3.21Å; R448-E465 IonicContact CZ-OE2 2.73Å; R448-E465 IonicContact NE-OE1 3.17Å; R448-E465 PolarHBondContact NE-OE1 2.93Å; R448-E465 IonicContact NE-OE2 3.31Å; R448-E465 IonicContact NH2-OE1 2.93Å; R448-E465 PolarHBondContact NH2-OE1 2.67Å; R448-E465 IonicContact NH2-OE2 3.59Å; R448-E465 PolarHBondContact NH2-OE2 2.8Å; F450-E465 HydrophobicContact CD1-CB 3.82Å; F450-E465 HydrophobicContact CD1-CG 4.3Å; F450-E465 HydrophobicContact CE1-CB 3.86Å; F450-E465 HydrophobicContact CE1-CG 4.1Å; E465-G475 CarbonylContact O-C 3.56Å; E465-G475 WeakPolarHBondContact O-CA 3.42Å; E465-G476 PolarHBondContact N-O 3.24Å; E465-G476 PolarHBondContact O-N 3.43Å
466	P	90	Very high	89.6	Confident	56 Å²	56	65.5 Å²	65.5	36%	0.364	35%	0.354	S	S	.	.			trans	-61.4	141.9	174.3	26.3	-33.8	0	0	0	111.1	Q449 F464 Q468	Q449-P466 WeakPolarHBondContact O-CD 3.32Å; F464-P466 WeakPolarHBondContact O-CD 3.39Å; P466-Q468 PolarHBondContact O-N 3.32Å
467	Q	88.1	Confident	89.6	Confident	164 Å²	164	70.3 Å²	70.3	77%	0.766	38%	0.379	S	S	*	.			trans	-68	118.7	178.3	-68	-178.2	-12.8	0	0	110.6
468	Q	84.1	Confident	89.6	Confident	118 Å²	118	72.9 Å²	72.9	55%	0.551	39%	0.389	S	S	*	.			trans	-105.3	129.8	176.1	-171.8	177	3.8	0	0	110.4	P466 N470 S471	P466-Q468 PolarHBondContact O-N 3.32Å; Q468-N470 PolarHBondContact O-N 3.39Å; Q468-S471 PolarHBondContact O-OG 3.33Å
469	K	83.4	Confident	89.7	Confident	193 Å²	193	71 Å²	71	84%	0.839	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63	134.3	177.2	-68.1	-176.4	-179.6	177.5	0	110	S471	K469-S471 PolarHBondContact O-N 3.48Å
470	N	83.2	Confident	89.8	Confident	174 Å²	174	76.2 Å²	76.2	93%	0.93	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	60.2	21.2	175.7	-53	-26.9	0	0	0	115.6	Q468	Q468-N470 PolarHBondContact O-N 3.39Å
471	S	83.1	Confident	89.8	Confident	42 Å²	42	80.6 Å²	80.6	29%	0.294	42%	0.417	S	S	.	.	S	Bend	trans	-79.5	-21.6	177.4	67.8	0	0	0	0	113.9	Q468 K469 F473	Q468-S471 PolarHBondContact O-OG 3.33Å; K469-S471 PolarHBondContact O-N 3.48Å; S471-F473 VanDerWaalsContact C-N 3.28Å; S471-F473 PolarHBondContact OG-N 2.87Å; S471-F473 PolarHBondContact OG-O 3.04Å
472	G	84.1	Confident	89.7	Confident	83 Å²	83	82.8 Å²	82.8	86%	0.856	43%	0.433	S	S	*	.	S	Bend	trans	84.3	-7.6	-172.5	0	0	0	0	0	114.6
473	F	85	Confident	89.5	Confident	67 Å²	67	85.9 Å²	85.9	29%	0.294	45%	0.445	S	S	.	.	S	Bend	trans	-103.3	133.7	174.8	-65	-81.1	0	0	0	111.2	I444 R448 S471 G475	I444-F473 HydrophobicContact CG2-CE2 3.54Å; I444-F473 HydrophobicContact CG2-CZ 3.56Å; R448-F473 HydrophobicContact CG-CD2 4.14Å; R448-F473 HydrophobicContact CG-CE2 4.09Å; S471-F473 VanDerWaalsContact C-N 3.28Å; S471-F473 PolarHBondContact OG-N 2.87Å; S471-F473 PolarHBondContact OG-O 3.04Å; F473-G475 PolarHBondContact O-N 3.45Å; F473-G475 VanDerWaalsContact O-N 3.13Å
474	Q	83.3	Confident	89.3	Confident	194 Å²	194	86 Å²	86	91%	0.907	45%	0.445	S	S	*	.			trans	-75.5	98	166.6	-69.2	-178.2	-8.5	0	0	107.8
475	G	86.4	Confident	89.1	Confident	11 Å²	11	85.1 Å²	85.1	11%	0.113	44%	0.442	C	S	.	.			trans	-59.3	157.7	171.9	0	0	0	0	0	111.6	E465 F473	E465-G475 CarbonylContact O-C 3.56Å; E465-G475 WeakPolarHBondContact O-CA 3.42Å; F473-G475 PolarHBondContact O-N 3.45Å; F473-G475 VanDerWaalsContact O-N 3.13Å
476	G	91.2	Very high	89	Confident	23 Å²	23	86.7 Å²	86.7	24%	0.237	45%	0.448	C	S	.	.	E	Extended strand (participates in β ladder)	trans	160.6	-161.8	-175.8	0	0	0	0	0	112.4	F464 E465 F478	F464-G476 CarbonylContact C-O 3.52Å; F464-G476 WeakPolarHBondContact CA-O 3.23Å; F464-G476 VanDerWaalsContact CD2-C 3.43Å; F464-G476 WeakPolarHBondContact CD2-O 3.36Å; F464-G476 VanDerWaalsContact CE2-C 3.49Å; E465-G476 PolarHBondContact N-O 3.24Å; E465-G476 PolarHBondContact O-N 3.43Å; G476-F478 PolarHBondContact O-N 3Å
477	L	92.5	Very high	88.9	Confident	108 Å²	108	87.6 Å²	87.6	57%	0.565	45%	0.454	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.5	114.5	175.8	-172.2	69.9	0	0	0	109.8	E480	L477-E480 HydrophobicContact CD2-CB 3.95Å; L477-E480 HydrophobicContact CD2-CG 4.21Å
478	F	92.8	Very high	88.5	Confident	66 Å²	66	87.1 Å²	87.1	29%	0.289	46%	0.457	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	-41.5	177.8	-174.5	-91.4	0	0	0	111.5	L438 F450 I463 G476 F516 F518	L438-F478 HydrophobicContact CD1-CZ 4.41Å; F450-F478 HydrophobicContact CD1-CB 4.26Å; F450-F478 HydrophobicContact CD1-CD2 4.36Å; F450-F478 HydrophobicContact CD1-CG 4.21Å; F450-F478 HydrophobicContact CE1-CB 4.25Å; F450-F478 AromaticContact CE1-CD2 3.57Å; F450-F478 HydrophobicContact CE1-CD2 3.57Å; F450-F478 HydrophobicContact CE1-CE2 4.02Å; F450-F478 AromaticContact CE1-CG 3.88Å; F450-F478 HydrophobicContact CE1-CG 3.88Å; F450-F478 HydrophobicContact CZ-CD2 4.38Å; F450-F478 HydrophobicContact CZ-CE2 4.41Å; I463-F478 HydrophobicContact CB-CB 4.17Å; I463-F478 HydrophobicContact CB-CD1 4.21Å; I463-F478 HydrophobicContact CD1-CD1 4.38Å; I463-F478 HydrophobicContact CG2-CB 3.98Å; I463-F478 HydrophobicContact CG2-CD1 4.03Å; I463-F478 HydrophobicContact CG2-CG 4.31Å; I463-F478 WeakPolarHBondContact O-CA 3.43Å; I463-F478 WeakPolarHBondContact O-CB 3.45Å; I463-F478 PolarHBondContact O-N 2.92Å; G476-F478 PolarHBondContact O-N 3Å; F478-F516 HydrophobicContact CE1-CD2 4.19Å; F478-F516 HydrophobicContact CE1-CG 4.4Å; F478-F516 HydrophobicContact CZ-CD1 4.31Å; F478-F516 HydrophobicContact CZ-CD2 4.16Å; F478-F516 HydrophobicContact CZ-CE1 4.4Å; F478-F516 HydrophobicContact CZ-CE2 4.25Å; F478-F516 HydrophobicContact CZ-CG 4.18Å; F478-F516 HydrophobicContact CZ-CZ 4.37Å; F478-F518 HydrophobicContact CD1-CZ 4.09Å; F478-F518 HydrophobicContact CE1-CE2 4.1Å; F478-F518 AromaticContact CE1-CZ 3.68Å; F478-F518 HydrophobicContact CE1-CZ 3.68Å; F478-F518 HydrophobicContact CZ-CZ 4.19Å
479	L	93.7	Very high	88.1	Confident	20 Å²	20	82.9 Å²	82.9	11%	0.105	44%	0.44	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	122.4	175.7	-176.8	139.8	0	0	0	109.5	I461 S462 I463 I484 N514	I461-L479 WeakPolarHBondContact O-CD2 3.49Å; S462-L479 WeakPolarHBondContact CA-O 3.29Å; I463-L479 HydrophobicContact CB-CB 3.9Å; I463-L479 HydrophobicContact CD1-CB 4.01Å; I463-L479 HydrophobicContact CD1-CD1 4.46Å; I463-L479 HydrophobicContact CG1-CB 3.93Å; I463-L479 HydrophobicContact CG1-CD2 4.36Å; I463-L479 PolarHBondContact N-O 2.89Å; I463-L479 PolarHBondContact O-N 2.89Å; L479-I484 HydrophobicContact CD1-CD1 4.09Å; L479-I484 HydrophobicContact CD2-CD1 3.9Å; L479-I484 HydrophobicContact CD2-CG1 4.38Å; L479-N514 WeakPolarHBondContact CD1-ND2 3.29Å
480	E	94.2	Very high	87.8	Confident	147 Å²	147	81 Å²	81	69%	0.687	43%	0.432	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.2	151.2	175.1	-169.9	172.3	-171.7	0	0	111.1	L477 S482	L477-E480 HydrophobicContact CD2-CB 3.95Å; L477-E480 HydrophobicContact CD2-CG 4.21Å; E480-S482 PolarHBondContact O-N 3.19Å; E480-S482 PolarHBondContact O-OG 2.97Å
481	R	94.2	Very high	87.5	Confident	103 Å²	103	77 Å²	77	39%	0.389	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-50.6	107.2	-177.1	-174.9	177.5	175.9	174.6	3.3	111	Y455 S457 D458 T460 I461	Y455-R481 VanDerWaalsContact CD1-CZ 3.44Å; Y455-R481 HydrophobicContact CD2-CG 3.97Å; Y455-R481 HydrophobicContact CE2-CG 4.03Å; S457-R481 PolarHBondContact OG-NH2 3.37Å; D458-R481 IonicContact OD1-CZ 3.96Å; D458-R481 IonicContact OD1-NE 2.92Å; D458-R481 IonicContact OD1-NH2 3.45Å; D458-R481 PolarHBondContact OD1-NH2 3.22Å; D458-R481 IonicContact OD2-CZ 2.66Å; D458-R481 IonicContact OD2-NE 3.66Å; D458-R481 PolarHBondContact OD2-NE 3.36Å; D458-R481 IonicContact OD2-NH2 2.81Å; D458-R481 PolarHBondContact OD2-NH2 3.25Å; T460-R481 HydrophobicContact CG2-CG 4.29Å; T460-R481 WeakPolarHBondContact OG1-CG 3.44Å; T460-R481 PolarHBondContact OG1-NE 3.12Å; I461-R481 WeakPolarHBondContact O-CA 3.1Å
482	S	93.3	Very high	87.3	Confident	48 Å²	48	82 Å²	82	34%	0.336	43%	0.426	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.5	160	-178.3	55	0	0	0	0	111.6	T460 I461 E480	T460-S482 WeakPolarHBondContact CA-O 3.49Å; I461-S482 PolarHBondContact N-O 3.25Å; I461-S482 PolarHBondContact O-N 3.38Å; I461-S482 VanDerWaalsContact O-N 3.1Å; E480-S482 PolarHBondContact O-N 3.19Å; E480-S482 PolarHBondContact O-OG 2.97Å
483	K	91.9	Very high	87	Confident	75 Å²	75	80.8 Å²	80.8	33%	0.326	40%	0.401	S	S	.	.			trans	-78.1	130.3	170	-69.5	-179.9	177.5	169	0	108.8	E398 D458 T460 Y499	E398-K483 IonicContact OE1-NZ 2.74Å; E398-K483 PolarHBondContact OE1-NZ 3.45Å; E398-K483 IonicContact OE2-NZ 3.88Å; E398-K483 PolarHBondContact OE2-NZ 3.32Å; D458-K483 WeakPolarHBondContact O-CE 3.38Å; T460-K483 HydrophobicContact CG2-CG 4.08Å; K483-Y499 HydrophobicContact CB-CD1 3.59Å; K483-Y499 HydrophobicContact CB-CE1 3.95Å; K483-Y499 HydrophobicContact CB-CG 4.21Å
484	I	92.9	Very high	86.6	Confident	2 Å²	2	81.6 Å²	81.6	1%	0.01	41%	0.408	C	S	.	.			trans	-104.2	130.9	-177.8	-53.6	178.5	0	0	0	109.6	I461 L479 Y499 Y500 F513	I461-I484 HydrophobicContact CB-CD1 3.82Å; I461-I484 HydrophobicContact CB-CG1 4.34Å; I461-I484 HydrophobicContact CD1-CD1 4.15Å; I461-I484 HydrophobicContact CG2-CD1 3.96Å; L479-I484 HydrophobicContact CD1-CD1 4.09Å; L479-I484 HydrophobicContact CD2-CD1 3.9Å; L479-I484 HydrophobicContact CD2-CG1 4.38Å; I484-Y499 CarbonylContact O-C 3.58Å; I484-Y499 WeakPolarHBondContact O-CA 3.38Å; I484-Y500 HydrophobicContact CB-CD2 4.07Å; I484-Y500 HydrophobicContact CG2-CD2 3.92Å; I484-Y500 HydrophobicContact CG2-CE2 4.23Å; I484-Y500 PolarHBondContact O-N 3.22Å; I484-F513 HydrophobicContact CB-CD1 4.38Å; I484-F513 HydrophobicContact CD1-CB 4.02Å; I484-F513 HydrophobicContact CD1-CD1 3.73Å; I484-F513 HydrophobicContact CD1-CD2 4.28Å; I484-F513 HydrophobicContact CD1-CE1 4.19Å; I484-F513 HydrophobicContact CD1-CG 3.76Å; I484-F513 HydrophobicContact CG2-CB 4.3Å; I484-F513 HydrophobicContact CG2-CD1 3.86Å; I484-F513 HydrophobicContact CG2-CG 4.44Å
485	K	90.5	Very high	86.4	Confident	76 Å²	76	79.6 Å²	79.6	33%	0.33	40%	0.396	S	S	.	.	B	Isolated β-bridge	trans	-77.5	144.9	-179.1	-60.9	174.1	-173	-177.6	0	110.5	L497 Y499	K485-L497 HydrophobicContact CD-CD1 4.13Å; K485-Y499 HydrophobicContact CD-CE1 4.45Å; K485-Y499 HydrophobicContact CG-CD1 3.91Å; K485-Y499 HydrophobicContact CG-CE1 3.49Å; K485-Y499 VanDerWaalsContact CG-CE1 3.49Å
486	K	91.8	Very high	86	Confident	50 Å²	50	83.2 Å²	83.2	22%	0.217	42%	0.418	C	S	.	.			trans	-72.7	143.9	170.2	-67.3	-170.7	178.4	-169.9	0	110.1	D488 S489 E498 Y500 D504	K486-D488 PolarHBondContact O-N 3.35Å; K486-S489 PolarHBondContact O-N 2.92Å; K486-S489 PolarHBondContact O-OG 2.79Å; K486-E498 HydrophobicContact CD-CB 4.47Å; K486-E498 PolarHBondContact N-O 3.43Å; K486-Y500 HydrophobicContact CG-CD1 4.3Å; K486-Y500 HydrophobicContact CG-CD2 4.3Å; K486-Y500 HydrophobicContact CG-CE1 4.25Å; K486-Y500 HydrophobicContact CG-CE2 4.26Å; K486-Y500 HydrophobicContact CG-CG 4.33Å; K486-D504 WeakPolarHBondContact CE-OD2 3.45Å; K486-D504 IonicContact NZ-OD1 2.91Å; K486-D504 PolarHBondContact NZ-OD1 3.47Å; K486-D504 IonicContact NZ-OD2 3.23Å; K486-D504 PolarHBondContact NZ-OD2 3.29Å
487	P	86.5	Confident	85.7	Confident	76 Å²	76	82.9 Å²	82.9	49%	0.494	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.3	-26.4	-175.5	25.3	-35.2	0	0	0	113.5	S489 Y500 D512	P487-S489 VanDerWaalsContact C-N 3.25Å; P487-S489 PolarHBondContact O-N 3.48Å; P487-Y500 WeakPolarHBondContact CD-OH 3.46Å; P487-D512 HydrophobicContact CG-CB 4.18Å
488	D	80	Confident	85.5	Confident	153 Å²	153	83.9 Å²	83.9	82%	0.818	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.6	-11.4	-178.1	-60.4	-30.9	0	0	0	113.7	K486 K490	K486-D488 PolarHBondContact O-N 3.35Å; D488-K490 PolarHBondContact O-N 3.33Å
489	S	76.8	Confident	85.4	Confident	29 Å²	29	82.9 Å²	82.9	20%	0.203	41%	0.407	C	S	.	.			trans	-79.1	114.9	-177.1	63.6	0	0	0	0	111.8	K486 P487 L491	K486-S489 PolarHBondContact O-N 2.92Å; K486-S489 PolarHBondContact O-OG 2.79Å; P487-S489 VanDerWaalsContact C-N 3.25Å; P487-S489 PolarHBondContact O-N 3.48Å; S489-L491 PolarHBondContact O-N 3.45Å
490	K	77.1	Confident	85.4	Confident	154 Å²	154	82.9 Å²	82.9	67%	0.67	41%	0.406	S	S	*	.			trans	-72.4	126.6	174.9	-70.3	-179.2	-175.7	177.1	0	109.9	D488 F492 D493	D488-K490 PolarHBondContact O-N 3.33Å; K490-F492 VanDerWaalsContact C-N 3.31Å; K490-F492 PolarHBondContact O-N 3.43Å; K490-D493 HydrophobicContact CB-CB 3.97Å
491	L	75.5	Confident	85.4	Confident	89 Å²	89	81.9 Å²	81.9	47%	0.466	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	-60.4	-36	-178.2	-81	154.2	0	0	0	114	S489	S489-L491 PolarHBondContact O-N 3.45Å
492	F	80.1	Confident	85.3	Confident	147 Å²	147	77.6 Å²	77.6	65%	0.645	39%	0.385	S	S	*	.	T	Hydrogen-bonded Turn	trans	-114.5	57.2	-174.8	-56	-77.4	0	0	0	110.9	Y391 K490	Y391-F492 VanDerWaalsContact O-CD1 3.22Å; Y391-F492 WeakPolarHBondContact O-CD1 3.4Å; K490-F492 VanDerWaalsContact C-N 3.31Å; K490-F492 PolarHBondContact O-N 3.43Å
493	D	77.3	Confident	85.3	Confident	59 Å²	59	78 Å²	78	32%	0.316	39%	0.385	S	S	.	.	S	Bend	trans	-118.8	161.2	177	-155.6	-15	0	0	0	110.1	P390 K490 K495	P390-D493 WeakPolarHBondContact CA-O 3.35Å; K490-D493 HydrophobicContact CB-CB 3.97Å; D493-K495 PolarHBondContact O-N 2.95Å
494	N	77.2	Confident	85.4	Confident	83 Å²	83	76.3 Å²	76.3	44%	0.444	38%	0.38	S	S	.	.	S	Bend	trans	-76.4	-5	178.1	-65	-1	0	0	0	112	P390	P390-N494 WeakPolarHBondContact CB-OD1 3.37Å; P390-N494 VanDerWaalsContact CD-OD1 3.24Å; P390-N494 WeakPolarHBondContact CD-OD1 3.18Å
495	K	78.3	Confident	85.5	Confident	153 Å²	153	76.2 Å²	76.2	67%	0.665	38%	0.379	S	S	*	.	S	Bend	trans	-95.1	142.7	179.1	-66.4	179.7	-178	176.4	0	110.3	D493	D493-K495 PolarHBondContact O-N 2.95Å
496	P	78.5	Confident	85.7	Confident	86 Å²	86	75.8 Å²	75.8	56%	0.558	38%	0.376	S	S	*	.	P	Polyproline II helix	trans	-61.2	149.5	175.3	27	-34.1	0	0	0	110.9	L401	L401-P496 HydrophobicContact CD1-CB 4.4Å
497	L	84.8	Confident	85.8	Confident	16 Å²	16	74.2 Å²	74.2	8%	0.084	37%	0.371	C	S	.	.	P	Polyproline II helix	trans	-68.4	141.1	179.4	-64.4	170	0	0	0	110.5	Y391 D397 K485 Y499	Y391-L497 HydrophobicContact CD1-CD1 4.3Å; Y391-L497 HydrophobicContact CE1-CD1 4.4Å; D397-L497 HydrophobicContact CB-CD1 3.96Å; D397-L497 HydrophobicContact CB-CG 4.49Å; D397-L497 WeakPolarHBondContact OD2-CB 3.44Å; K485-L497 HydrophobicContact CD-CD1 4.13Å; L497-Y499 HydrophobicContact CB-CE2 4.13Å
498	E	88.4	Confident	86.1	Confident	129 Å²	129	71.7 Å²	71.7	60%	0.603	36%	0.358	S	S	*	.	P	Polyproline II helix	trans	-97	127.1	177.4	-66.9	-171.1	-174	0	0	110.8	K486	K486-E498 HydrophobicContact CD-CB 4.47Å; K486-E498 PolarHBondContact N-O 3.43Å
499	Y	91.2	Very high	86.7	Confident	46 Å²	46	64.4 Å²	64.4	18%	0.18	32%	0.319	C	S	.	.	B	Isolated β-bridge	trans	-105.4	153.1	179.3	-64.2	-85.5	0	0	0	111.4	D397 K483 I484 K485 L497	D397-Y499 PolarHBondContact OD1-OH 3.21Å; K483-Y499 HydrophobicContact CB-CD1 3.59Å; K483-Y499 HydrophobicContact CB-CE1 3.95Å; K483-Y499 HydrophobicContact CB-CG 4.21Å; I484-Y499 CarbonylContact O-C 3.58Å; I484-Y499 WeakPolarHBondContact O-CA 3.38Å; K485-Y499 HydrophobicContact CD-CE1 4.45Å; K485-Y499 HydrophobicContact CG-CD1 3.91Å; K485-Y499 HydrophobicContact CG-CE1 3.49Å; K485-Y499 VanDerWaalsContact CG-CE1 3.49Å; L497-Y499 HydrophobicContact CB-CE2 4.13Å
500	Y	93.9	Very high	87.6	Confident	20 Å²	20	69.5 Å²	69.5	8%	0.078	34%	0.338	C	S	.	.			trans	-61.7	135.8	170.8	-79.2	-75.2	0	0	0	110.9	I484 K486 P487 D504 L511 D512 F513	I484-Y500 HydrophobicContact CB-CD2 4.07Å; I484-Y500 HydrophobicContact CG2-CD2 3.92Å; I484-Y500 HydrophobicContact CG2-CE2 4.23Å; I484-Y500 PolarHBondContact O-N 3.22Å; K486-Y500 HydrophobicContact CG-CD1 4.3Å; K486-Y500 HydrophobicContact CG-CD2 4.3Å; K486-Y500 HydrophobicContact CG-CE1 4.25Å; K486-Y500 HydrophobicContact CG-CE2 4.26Å; K486-Y500 HydrophobicContact CG-CG 4.33Å; P487-Y500 WeakPolarHBondContact CD-OH 3.46Å; Y500-D504 HydrophobicContact CD1-CB 4.01Å; Y500-L511 HydrophobicContact CD1-CD2 4.2Å; Y500-L511 HydrophobicContact CE1-CB 4.49Å; Y500-L511 HydrophobicContact CE1-CD2 3.74Å; Y500-D512 VanDerWaalsContact CE2-O 3.25Å; Y500-D512 WeakPolarHBondContact CE2-O 3.38Å; Y500-D512 PolarHBondContact OH-N 2.9Å; Y500-D512 VanDerWaalsContact OH-N 3.14Å; Y500-D512 PolarHBondContact OH-O 3.26Å; Y500-F513 HydrophobicContact CD1-CE1 4.4Å; Y500-F513 AromaticContact CD2-CD1 3.97Å; Y500-F513 HydrophobicContact CD2-CD1 3.97Å; Y500-F513 AromaticContact CD2-CE1 3.83Å; Y500-F513 HydrophobicContact CD2-CE1 3.83Å; Y500-F513 AromaticContact CE2-CD1 3.87Å; Y500-F513 HydrophobicContact CE2-CD1 3.87Å; Y500-F513 HydrophobicContact CE2-CE1 4.01Å; Y500-F513 HydrophobicContact CG-CE1 4.03Å
501	K	92.7	Very high	88.4	Confident	126 Å²	126	62.6 Å²	62.6	55%	0.548	31%	0.308	S	S	.	.			trans	-110	158.9	177.6	-66.7	-179.6	-177.4	176.3	0	110.4	T503 D504 L505	K501-T503 PolarHBondContact O-N 3.46Å; K501-D504 PolarHBondContact N-OD2 2.88Å; K501-D504 WeakPolarHBondContact O-CB 3.27Å; K501-D504 PolarHBondContact O-N 2.88Å; K501-L505 WeakPolarHBondContact O-CD1 3.05Å
502	P	93.2	Very high	89.3	Confident	13 Å²	13	60.7 Å²	60.7	8%	0.084	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-51.3	-33.6	175.3	-27.7	33.8	0	0	0	113.8	L456 D459 D504 L505 F538	L456-P502 HydrophobicContact CD2-CB 3.54Å; L456-P502 HydrophobicContact CD2-CG 3.58Å; D459-P502 WeakPolarHBondContact OD1-CD 3.23Å; D459-P502 WeakPolarHBondContact OD1-CG 3.49Å; P502-D504 PolarHBondContact O-N 3.47Å; P502-L505 PolarHBondContact O-N 3.23Å; P502-L505 VanDerWaalsContact O-N 3.14Å; P502-F538 HydrophobicContact CB-CE1 4.44Å; P502-F538 HydrophobicContact CB-CZ 4.35Å; P502-F538 WeakPolarHBondContact O-CE1 3.32Å
503	T	93.6	Very high	89.9	Confident	57 Å²	57	53.7 Å²	53.7	35%	0.35	27%	0.268	S	S	.	.	G	3₁₀ helix	trans	-66.1	-22.2	177.9	54	0	0	0	0	114.3	K501 L505	K501-T503 PolarHBondContact O-N 3.46Å; T503-L505 VanDerWaalsContact C-N 3.28Å
504	D	93.3	Very high	90.5	Very high	39 Å²	39	55.4 Å²	55.4	21%	0.209	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-77.3	-18.6	176.6	-60.2	-40.6	0	0	0	111.2	K486 Y500 K501 P502	K486-D504 WeakPolarHBondContact CE-OD2 3.45Å; K486-D504 IonicContact NZ-OD1 2.91Å; K486-D504 PolarHBondContact NZ-OD1 3.47Å; K486-D504 IonicContact NZ-OD2 3.23Å; K486-D504 PolarHBondContact NZ-OD2 3.29Å; Y500-D504 HydrophobicContact CD1-CB 4.01Å; K501-D504 PolarHBondContact N-OD2 2.88Å; K501-D504 WeakPolarHBondContact O-CB 3.27Å; K501-D504 PolarHBondContact O-N 2.88Å; P502-D504 PolarHBondContact O-N 3.47Å
505	L	94.8	Very high	91.1	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	29%	0.293	C	S	.	.			trans	-93	109	-179.3	-67.4	87	0	0	0	110.5	F434 I452 C454 I461 K501 P502 T503 L511 L520 M531	F434-L505 HydrophobicContact CD2-CB 4.46Å; F434-L505 HydrophobicContact CD2-CD2 3.97Å; F434-L505 HydrophobicContact CE1-CB 4.5Å; F434-L505 HydrophobicContact CE2-CB 3.75Å; F434-L505 HydrophobicContact CE2-CD2 3.8Å; F434-L505 HydrophobicContact CE2-CG 4.44Å; F434-L505 HydrophobicContact CZ-CB 3.74Å; I452-L505 HydrophobicContact CG2-CD2 4.13Å; C454-L505 HydrophobicContact CB-CD2 3.94Å; I461-L505 HydrophobicContact CD1-CD1 4.2Å; K501-L505 WeakPolarHBondContact O-CD1 3.05Å; P502-L505 PolarHBondContact O-N 3.23Å; P502-L505 VanDerWaalsContact O-N 3.14Å; T503-L505 VanDerWaalsContact C-N 3.28Å; L505-L511 HydrophobicContact CD2-CD1 4.43Å; L505-L511 HydrophobicContact CG-CD1 3.82Å; L505-L520 HydrophobicContact CB-CD1 3.86Å; L505-L520 HydrophobicContact CD2-CD1 4.31Å; L505-L520 HydrophobicContact CG-CD1 4.2Å; L505-M531 WeakPolarHBondContact O-CE 3.34Å
506	Y	94.5	Very high	91.7	Very high	66 Å²	66	54.2 Å²	54.2	26%	0.259	28%	0.282	S	S	.	.			trans	-142	159.3	170.9	57.9	-87.7	0	0	0	109.7	G508 A509 Q540 T597 H599	Y506-G508 PolarHBondContact O-N 3.01Å; Y506-A509 HydrophobicContact CD1-CB 3.95Å; Y506-A509 HydrophobicContact CD2-CB 4.07Å; Y506-A509 HydrophobicContact CE1-CB 3.78Å; Y506-A509 HydrophobicContact CE2-CB 3.91Å; Y506-A509 HydrophobicContact CG-CB 4.09Å; Y506-A509 WeakPolarHBondContact O-CB 3.36Å; Y506-A509 PolarHBondContact O-N 3.19Å; Y506-Q540 VanDerWaalsContact CD1-NE2 3.34Å; Y506-Q540 HydrophobicContact CD2-CG 4.32Å; Y506-Q540 HydrophobicContact CG-CG 4.18Å; Y506-T597 HydrophobicContact CE2-CG2 4.27Å; Y506-H599 HydrophobicContact CD2-CB 4.33Å
507	V	93.9	Very high	92.5	Very high	18 Å²	18	53.3 Å²	53.3	11%	0.109	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	122.1	-179.3	178.2	0	0	0	0	109.8	T521 A523 L528 T598 H599	V507-T521 WeakPolarHBondContact CG1-O 3.48Å; V507-A523 HydrophobicContact CG2-CB 3.7Å; V507-L528 HydrophobicContact CG2-CD2 4.5Å; V507-T598 PolarHBondContact O-OG1 2.83Å; V507-H599 HydrophobicContact CB-CB 3.98Å; V507-H599 PolarHBondContact N-ND1 3Å; V507-H599 WeakPolarHBondContact O-CB 3.47Å; V507-H599 PolarHBondContact O-N 2.94Å; V507-H599 VanDerWaalsContact O-N 3.08Å
508	G	92.5	Very high	93	Very high	22 Å²	22	52.6 Å²	52.6	23%	0.227	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	98.9	-8.2	-173	0	0	0	0	0	114.9	Y506 K510 L520 T598	Y506-G508 PolarHBondContact O-N 3.01Å; G508-K510 PolarHBondContact O-N 3.15Å; G508-L520 WeakPolarHBondContact CA-O 3.46Å; G508-L520 PolarHBondContact N-O 2.95Å; G508-T598 WeakPolarHBondContact CA-OG1 3.44Å; G508-T598 PolarHBondContact N-OG1 3.42Å
509	A	94.2	Very high	93.3	Very high	1 Å²	1	48.2 Å²	48.2	1%	0.008	25%	0.248	C	C	.	.			trans	-65.5	134.6	178	0	0	0	0	0	110.5	Y506 L511 E519 L520	Y506-A509 HydrophobicContact CD1-CB 3.95Å; Y506-A509 HydrophobicContact CD2-CB 4.07Å; Y506-A509 HydrophobicContact CE1-CB 3.78Å; Y506-A509 HydrophobicContact CE2-CB 3.91Å; Y506-A509 HydrophobicContact CG-CB 4.09Å; Y506-A509 WeakPolarHBondContact O-CB 3.36Å; Y506-A509 PolarHBondContact O-N 3.19Å; A509-L511 HydrophobicContact CB-CD1 4.46Å; A509-L511 HydrophobicContact CB-CD2 4.17Å; A509-L511 HydrophobicContact CB-CG 4.15Å; A509-E519 WeakPolarHBondContact O-CA 3.46Å; A509-L520 HydrophobicContact CB-CD1 4.33Å; A509-L520 PolarHBondContact O-N 3.07Å
510	K	94.9	Very high	93.4	Very high	136 Å²	136	46 Å²	46	59%	0.591	24%	0.239	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-100.3	112.5	171	-64.1	179.3	-177.3	175.8	0	108.5	L439 G508 L517 F518 E519	L439-K510 HydrophobicContact CD1-CD 3.98Å; L439-K510 HydrophobicContact CD1-CG 4.07Å; G508-K510 PolarHBondContact O-N 3.15Å; K510-L517 HydrophobicContact CB-CD1 4.46Å; K510-F518 CarbonylContact C-O 3.54Å; K510-F518 VanDerWaalsContact CA-O 3.3Å; K510-F518 WeakPolarHBondContact CA-O 3.12Å; K510-E519 HydrophobicContact CG-CB 4.48Å; K510-E519 HydrophobicContact CG-CG 4.44Å
511	L	94	Very high	93.4	Very high	9 Å²	9	47.7 Å²	47.7	5%	0.047	25%	0.252	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.2	-170.9	-56.7	174.3	0	0	0	109.5	Y500 L505 A509 F513 L517 F518 L520	Y500-L511 HydrophobicContact CD1-CD2 4.2Å; Y500-L511 HydrophobicContact CE1-CB 4.49Å; Y500-L511 HydrophobicContact CE1-CD2 3.74Å; L505-L511 HydrophobicContact CD2-CD1 4.43Å; L505-L511 HydrophobicContact CG-CD1 3.82Å; A509-L511 HydrophobicContact CB-CD1 4.46Å; A509-L511 HydrophobicContact CB-CD2 4.17Å; A509-L511 HydrophobicContact CB-CG 4.15Å; L511-F513 HydrophobicContact CB-CD1 4.17Å; L511-F513 HydrophobicContact CB-CE1 3.67Å; L511-F513 HydrophobicContact CB-CE2 4.21Å; L511-F513 HydrophobicContact CB-CZ 3.71Å; L511-F513 HydrophobicContact CD1-CE1 4.05Å; L511-F513 HydrophobicContact CD1-CE2 4.26Å; L511-F513 HydrophobicContact CD1-CZ 3.5Å; L511-F513 VanDerWaalsContact CD1-CZ 3.5Å; L511-F513 HydrophobicContact CG-CE1 4.42Å; L511-F513 HydrophobicContact CG-CZ 4.23Å; L511-L517 CarbonylContact O-C 3.53Å; L511-L517 WeakPolarHBondContact O-CA 3.47Å; L511-F518 PolarHBondContact N-O 2.79Å; L511-F518 PolarHBondContact O-N 3.18Å; L511-L520 HydrophobicContact CD1-CD1 3.8Å; L511-L520 HydrophobicContact CD1-CD2 4.43Å; L511-L520 HydrophobicContact CD1-CG 4.07Å
512	D	94.1	Very high	93.3	Very high	48 Å²	48	47.3 Å²	47.3	26%	0.257	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.1	100.3	177.6	-172.4	-16.6	0	0	0	109.2	P487 Y500 S515 F516 L517	P487-D512 HydrophobicContact CG-CB 4.18Å; Y500-D512 VanDerWaalsContact CE2-O 3.25Å; Y500-D512 WeakPolarHBondContact CE2-O 3.38Å; Y500-D512 PolarHBondContact OH-N 2.9Å; Y500-D512 VanDerWaalsContact OH-N 3.14Å; Y500-D512 PolarHBondContact OH-O 3.26Å; D512-S515 WeakPolarHBondContact OD1-CA 3.14Å; D512-S515 PolarHBondContact OD1-N 2.71Å; D512-F516 PolarHBondContact OD1-N 3.28Å; D512-L517 HydrophobicContact CB-CD1 4.23Å
513	F	93.5	Very high	93.2	Very high	1 Å²	1	47.3 Å²	47.3	0%	0.004	25%	0.253	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	101.7	178.5	-64	-26.9	0	0	0	110	I452 I461 I463 I484 Y500 L511 S515 F516 F518	I452-F513 HydrophobicContact CD1-CE2 4.21Å; I452-F513 HydrophobicContact CG2-CE2 4.01Å; I461-F513 HydrophobicContact CD1-CE1 3.96Å; I461-F513 HydrophobicContact CD1-CZ 3.91Å; I461-F513 HydrophobicContact CG2-CE2 4.39Å; I461-F513 HydrophobicContact CG2-CZ 4.45Å; I463-F513 HydrophobicContact CD1-CB 4.31Å; I463-F513 HydrophobicContact CD1-CD2 3.55Å; I463-F513 HydrophobicContact CD1-CE2 4.24Å; I463-F513 HydrophobicContact CD1-CG 4.32Å; I484-F513 HydrophobicContact CB-CD1 4.38Å; I484-F513 HydrophobicContact CD1-CB 4.02Å; I484-F513 HydrophobicContact CD1-CD1 3.73Å; I484-F513 HydrophobicContact CD1-CD2 4.28Å; I484-F513 HydrophobicContact CD1-CE1 4.19Å; I484-F513 HydrophobicContact CD1-CG 3.76Å; I484-F513 HydrophobicContact CG2-CB 4.3Å; I484-F513 HydrophobicContact CG2-CD1 3.86Å; I484-F513 HydrophobicContact CG2-CG 4.44Å; Y500-F513 HydrophobicContact CD1-CE1 4.4Å; Y500-F513 AromaticContact CD2-CD1 3.97Å; Y500-F513 HydrophobicContact CD2-CD1 3.97Å; Y500-F513 AromaticContact CD2-CE1 3.83Å; Y500-F513 HydrophobicContact CD2-CE1 3.83Å; Y500-F513 AromaticContact CE2-CD1 3.87Å; Y500-F513 HydrophobicContact CE2-CD1 3.87Å; Y500-F513 HydrophobicContact CE2-CE1 4.01Å; Y500-F513 HydrophobicContact CG-CE1 4.03Å; L511-F513 HydrophobicContact CB-CD1 4.17Å; L511-F513 HydrophobicContact CB-CE1 3.67Å; L511-F513 HydrophobicContact CB-CE2 4.21Å; L511-F513 HydrophobicContact CB-CZ 3.71Å; L511-F513 HydrophobicContact CD1-CE1 4.05Å; L511-F513 HydrophobicContact CD1-CE2 4.26Å; L511-F513 HydrophobicContact CD1-CZ 3.5Å; L511-F513 VanDerWaalsContact CD1-CZ 3.5Å; L511-F513 HydrophobicContact CG-CE1 4.42Å; L511-F513 HydrophobicContact CG-CZ 4.23Å; F513-S515 VanDerWaalsContact C-N 3.34Å; F513-S515 PolarHBondContact O-N 3.08Å; F513-F516 PolarHBondContact N-O 3.16Å; F513-F516 WeakPolarHBondContact O-CB 3.47Å; F513-F516 PolarHBondContact O-N 3.35Å; F513-F518 HydrophobicContact CB-CD2 4.11Å; F513-F518 HydrophobicContact CB-CE2 4.3Å; F513-F518 HydrophobicContact CD2-CB 4.47Å; F513-F518 AromaticContact CD2-CD2 3.7Å; F513-F518 HydrophobicContact CD2-CD2 3.7Å; F513-F518 HydrophobicContact CD2-CE2 4.31Å; F513-F518 HydrophobicContact CD2-CG 4.33Å; F513-F518 HydrophobicContact CG-CD2 4.29Å
514	N	89.4	Confident	93.1	Very high	94 Å²	94	48.1 Å²	48.1	50%	0.503	26%	0.255	S	S	.	.	T	Hydrogen-bonded Turn	trans	52.4	46.7	179.5	-61.8	-23.9	0	0	0	113.2	L479 F516	L479-N514 WeakPolarHBondContact CD1-ND2 3.29Å; N514-F516 VanDerWaalsContact C-N 3.28Å; N514-F516 PolarHBondContact O-N 3.39Å
515	S	89	Confident	92.8	Very high	113 Å²	113	49.5 Å²	49.5	79%	0.79	26%	0.263	S	S	*	.	T	Hydrogen-bonded Turn	trans	75.2	2.8	-176	-46.9	0	0	0	0	115.7	D512 F513	D512-S515 WeakPolarHBondContact OD1-CA 3.14Å; D512-S515 PolarHBondContact OD1-N 2.71Å; F513-S515 VanDerWaalsContact C-N 3.34Å; F513-S515 PolarHBondContact O-N 3.08Å
516	F	92.6	Very high	92.6	Very high	99 Å²	99	53 Å²	53	43%	0.434	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	113	170.7	-62	-77.5	0	0	0	109.7	L438 F478 D512 F513 N514 F518	L438-F516 HydrophobicContact CD1-CD1 4.08Å; F478-F516 HydrophobicContact CE1-CD2 4.19Å; F478-F516 HydrophobicContact CE1-CG 4.4Å; F478-F516 HydrophobicContact CZ-CD1 4.31Å; F478-F516 HydrophobicContact CZ-CD2 4.16Å; F478-F516 HydrophobicContact CZ-CE1 4.4Å; F478-F516 HydrophobicContact CZ-CE2 4.25Å; F478-F516 HydrophobicContact CZ-CG 4.18Å; F478-F516 HydrophobicContact CZ-CZ 4.37Å; D512-F516 PolarHBondContact OD1-N 3.28Å; F513-F516 PolarHBondContact N-O 3.16Å; F513-F516 WeakPolarHBondContact O-CB 3.47Å; F513-F516 PolarHBondContact O-N 3.35Å; N514-F516 VanDerWaalsContact C-N 3.28Å; N514-F516 PolarHBondContact O-N 3.39Å; F516-F518 HydrophobicContact CB-CD2 4.16Å; F516-F518 HydrophobicContact CB-CE2 3.56Å; F516-F518 HydrophobicContact CB-CZ 4.3Å; F516-F518 VanDerWaalsContact O-CD2 3.3Å; F516-F518 WeakPolarHBondContact O-CD2 3.19Å; F516-F518 PolarHBondContact O-N 3.25Å
517	L	94.1	Very high	92.5	Very high	67 Å²	67	50 Å²	50	35%	0.351	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	114	178.6	-168.2	70.1	0	0	0	109.8	L439 K510 L511 D512	L439-L517 HydrophobicContact CB-CB 4.17Å; L439-L517 HydrophobicContact CB-CD2 3.94Å; L439-L517 HydrophobicContact CB-CG 4.13Å; L439-L517 WeakPolarHBondContact CB-O 3.21Å; L439-L517 HydrophobicContact CD1-CD2 3.77Å; L439-L517 HydrophobicContact CD1-CG 4.05Å; L439-L517 HydrophobicContact CG-CD2 4.49Å; L439-L517 PolarHBondContact N-O 3.45Å; K510-L517 HydrophobicContact CB-CD1 4.46Å; L511-L517 CarbonylContact O-C 3.53Å; L511-L517 WeakPolarHBondContact O-CA 3.47Å; D512-L517 HydrophobicContact CB-CD1 4.23Å
518	F	94.6	Very high	92.4	Very high	0 Å²	0	50.5 Å²	50.5	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.1	140.3	175	-72.8	-87.4	0	0	0	110.7	R437 L438 F450 I452 I463 F478 K510 L511 F513 F516	R437-F518 WeakPolarHBondContact O-CA 3.22Å; L438-F518 HydrophobicContact CB-CD1 4.4Å; L438-F518 HydrophobicContact CB-CE1 4.13Å; L438-F518 HydrophobicContact CD1-CE1 4.14Å; L438-F518 HydrophobicContact CD1-CZ 3.96Å; L438-F518 HydrophobicContact CG-CE1 4.3Å; L438-F518 HydrophobicContact CG-CZ 4.45Å; F450-F518 HydrophobicContact CB-CE1 4.13Å; F450-F518 HydrophobicContact CD1-CE1 4.09Å; F450-F518 HydrophobicContact CD2-CD1 4.23Å; F450-F518 AromaticContact CD2-CE1 3.55Å; F450-F518 HydrophobicContact CD2-CE1 3.55Å; F450-F518 HydrophobicContact CE1-CE1 4.4Å; F450-F518 AromaticContact CE2-CE1 3.9Å; F450-F518 HydrophobicContact CE2-CE1 3.9Å; F450-F518 HydrophobicContact CG-CD1 4.45Å; F450-F518 AromaticContact CG-CE1 3.65Å; F450-F518 HydrophobicContact CG-CE1 3.65Å; F450-F518 HydrophobicContact CG-CZ 4.5Å; F450-F518 HydrophobicContact CZ-CE1 4.3Å; I452-F518 HydrophobicContact CD1-CB 4.11Å; I452-F518 HydrophobicContact CD1-CD1 4.18Å; I452-F518 HydrophobicContact CD1-CG 4.21Å; I463-F518 HydrophobicContact CD1-CD2 4.44Å; I463-F518 HydrophobicContact CD1-CE2 3.95Å; I463-F518 HydrophobicContact CD1-CZ 4.25Å; I463-F518 HydrophobicContact CG2-CE1 4.5Å; I463-F518 HydrophobicContact CG2-CZ 4.38Å; F478-F518 HydrophobicContact CD1-CZ 4.09Å; F478-F518 HydrophobicContact CE1-CE2 4.1Å; F478-F518 AromaticContact CE1-CZ 3.68Å; F478-F518 HydrophobicContact CE1-CZ 3.68Å; F478-F518 HydrophobicContact CZ-CZ 4.19Å; K510-F518 CarbonylContact C-O 3.54Å; K510-F518 VanDerWaalsContact CA-O 3.3Å; K510-F518 WeakPolarHBondContact CA-O 3.12Å; L511-F518 PolarHBondContact N-O 2.79Å; L511-F518 PolarHBondContact O-N 3.18Å; F513-F518 HydrophobicContact CB-CD2 4.11Å; F513-F518 HydrophobicContact CB-CE2 4.3Å; F513-F518 HydrophobicContact CD2-CB 4.47Å; F513-F518 AromaticContact CD2-CD2 3.7Å; F513-F518 HydrophobicContact CD2-CD2 3.7Å; F513-F518 HydrophobicContact CD2-CE2 4.31Å; F513-F518 HydrophobicContact CD2-CG 4.33Å; F513-F518 HydrophobicContact CG-CD2 4.29Å; F516-F518 HydrophobicContact CB-CD2 4.16Å; F516-F518 HydrophobicContact CB-CE2 3.56Å; F516-F518 HydrophobicContact CB-CZ 4.3Å; F516-F518 VanDerWaalsContact O-CD2 3.3Å; F516-F518 WeakPolarHBondContact O-CD2 3.19Å; F516-F518 PolarHBondContact O-N 3.25Å
519	E	94.8	Very high	92.3	Very high	37 Å²	37	53 Å²	53	17%	0.173	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	123.2	165.7	-179	177.7	-151.8	0	0	108.9	G436 R437 L439 A509 K510 T521	G436-E519 CarbonylContact C-O 3.4Å; G436-E519 WeakPolarHBondContact CA-O 3.48Å; R437-E519 HydrophobicContact CG-CB 4.18Å; R437-E519 IonicContact CZ-OE2 3.63Å; R437-E519 PolarHBondContact N-O 2.98Å; R437-E519 IonicContact NE-OE2 3.33Å; R437-E519 PolarHBondContact NE-OE2 2.72Å; R437-E519 IonicContact NH2-OE1 3.38Å; R437-E519 IonicContact NH2-OE2 2.81Å; R437-E519 PolarHBondContact NH2-OE2 3.21Å; R437-E519 PolarHBondContact O-N 3.33Å; L439-E519 HydrophobicContact CD1-CB 3.97Å; L439-E519 HydrophobicContact CD2-CB 4.25Å; L439-E519 HydrophobicContact CG-CB 4.03Å; A509-E519 WeakPolarHBondContact O-CA 3.46Å; K510-E519 HydrophobicContact CG-CB 4.48Å; K510-E519 HydrophobicContact CG-CG 4.44Å; E519-T521 PolarHBondContact O-N 3.29Å
520	L	95	Very high	92.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.3	112.8	174.3	-58	-171.6	0	0	0	109	F434 A435 I452 L505 G508 A509 L511	F434-L520 HydrophobicContact CB-CD1 4.31Å; F434-L520 HydrophobicContact CB-CD2 3.94Å; F434-L520 HydrophobicContact CD1-CD1 3.98Å; F434-L520 HydrophobicContact CD2-CD1 4.41Å; F434-L520 HydrophobicContact CE1-CD1 4.38Å; F434-L520 HydrophobicContact CG-CD1 3.98Å; F434-L520 HydrophobicContact CG-CD2 4.47Å; A435-L520 CarbonylContact O-C 3.58Å; I452-L520 HydrophobicContact CB-CD2 4.37Å; I452-L520 HydrophobicContact CD1-CD2 3.31Å; I452-L520 HydrophobicContact CG1-CD2 4.41Å; L505-L520 HydrophobicContact CB-CD1 3.86Å; L505-L520 HydrophobicContact CD2-CD1 4.31Å; L505-L520 HydrophobicContact CG-CD1 4.2Å; G508-L520 WeakPolarHBondContact CA-O 3.46Å; G508-L520 PolarHBondContact N-O 2.95Å; A509-L520 HydrophobicContact CB-CD1 4.33Å; A509-L520 PolarHBondContact O-N 3.07Å; L511-L520 HydrophobicContact CD1-CD1 3.8Å; L511-L520 HydrophobicContact CD1-CD2 4.43Å; L511-L520 HydrophobicContact CD1-CG 4.07Å
521	T	92.2	Very high	92.2	Very high	56 Å²	56	47.3 Å²	47.3	34%	0.344	25%	0.25	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	-40.4	-173.6	53.1	0	0	0	0	112.9	A435 R437 V507 E519	A435-T521 PolarHBondContact O-N 3.36Å; A435-T521 PolarHBondContact O-OG1 3.23Å; R437-T521 HydrophobicContact CB-CG2 4.36Å; R437-T521 HydrophobicContact CG-CG2 3.82Å; V507-T521 WeakPolarHBondContact CG1-O 3.48Å; E519-T521 PolarHBondContact O-N 3.29Å
522	E	91.4	Very high	92.2	Very high	117 Å²	117	51.3 Å²	51.3	55%	0.547	27%	0.267	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.1	166	-178.2	-61.3	-175	169	0	0	109.9	F434 A435	F434-E522 CarbonylContact C-O 3.5Å; F434-E522 VanDerWaalsContact CA-O 3.3Å; F434-E522 WeakPolarHBondContact CA-O 3.45Å; A435-E522 HydrophobicContact CB-CB 4.13Å; A435-E522 PolarHBondContact N-O 2.8Å; A435-E522 PolarHBondContact O-N 2.94Å
523	A	91.8	Very high	92.1	Very high	14 Å²	14	56.6 Å²	56.6	12%	0.116	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.4	145.8	174.7	0	0	0	0	0	109.6	F434 V507 T527 L528	F434-A523 HydrophobicContact CD1-CB 3.66Å; F434-A523 HydrophobicContact CE1-CB 3.99Å; V507-A523 HydrophobicContact CG2-CB 3.7Å; A523-T527 HydrophobicContact CB-CG2 3.93Å; A523-L528 HydrophobicContact CB-CD2 3.86Å; A523-L528 HydrophobicContact CB-CG 3.91Å
524	D	89.6	Confident	92	Very high	74 Å²	74	59.6 Å²	59.6	40%	0.396	30%	0.301	S	S	.	.			trans	-62.3	154.2	177.9	-68.8	3.1	0	0	0	110.6	R433 Y526 T527 L528	R433-D524 HydrophobicContact CB-CB 4.42Å; R433-D524 WeakPolarHBondContact CB-OD2 3.33Å; R433-D524 WeakPolarHBondContact CD-OD2 3.38Å; R433-D524 PolarHBondContact O-N 3.14Å; D524-Y526 PolarHBondContact O-N 3.32Å; D524-T527 WeakPolarHBondContact O-CA 3.21Å; D524-T527 VanDerWaalsContact O-CB 3.31Å; D524-T527 WeakPolarHBondContact O-CB 3.45Å; D524-T527 PolarHBondContact O-N 2.87Å; D524-L528 PolarHBondContact O-N 3.04Å
525	D	87.8	Confident	92.1	Very high	68 Å²	68	58.8 Å²	58.8	36%	0.364	29%	0.293	S	S	.	.	H	α-helix	trans	-57.1	-37	-178.9	-77.8	-42.9	0	0	0	112.7	L528 D529 R606 S743	D525-L528 PolarHBondContact O-N 3.1Å; D525-D529 WeakPolarHBondContact O-CB 3.46Å; D525-D529 VanDerWaalsContact O-CG 3.27Å; D525-D529 PolarHBondContact O-N 3.28Å; D525-R606 IonicContact OD1-CZ 2.97Å; D525-R606 IonicContact OD1-NH1 3.52Å; D525-R606 PolarHBondContact OD1-NH1 2.89Å; D525-R606 IonicContact OD1-NH2 2.8Å; D525-R606 PolarHBondContact OD1-NH2 3.32Å; D525-S743 VanDerWaalsContact OD2-CB 3.29Å; D525-S743 WeakPolarHBondContact OD2-CB 3.46Å; D525-S743 PolarHBondContact OD2-OG 2.7Å
526	Y	90.1	Very high	92.3	Very high	74 Å²	74	59 Å²	59	29%	0.29	29%	0.29	S	S	.	.	H	α-helix	trans	-59.8	-45.2	173.3	174.3	-99.5	0	0	0	112.1	H430 I431 D524 D529 Y530	H430-Y526 VanDerWaalsContact CA-OH 3.3Å; H430-Y526 WeakPolarHBondContact CA-OH 3.31Å; H430-Y526 PolarHBondContact N-OH 2.84Å; H430-Y526 PolarHBondContact ND1-OH 2.62Å; I431-Y526 WeakPolarHBondContact O-CE1 3.27Å; D524-Y526 PolarHBondContact O-N 3.32Å; Y526-D529 PolarHBondContact O-N 2.96Å; Y526-Y530 VanDerWaalsContact O-CB 3.27Å; Y526-Y530 WeakPolarHBondContact O-CB 3.4Å; Y526-Y530 PolarHBondContact O-N 2.95Å
527	T	92.3	Very high	92.2	Very high	1 Å²	1	59.5 Å²	59.5	1%	0.006	29%	0.294	C	S	.	.	H	α-helix	trans	-61.8	-46.9	179.7	-56.9	0	0	0	0	110.7	L432 R433 F434 A523 D524 Y530 M531	L432-T527 HydrophobicContact CB-CG2 3.88Å; L432-T527 HydrophobicContact CD2-CG2 4.05Å; L432-T527 HydrophobicContact CG-CG2 4.39Å; R433-T527 PolarHBondContact N-OG1 2.71Å; R433-T527 PolarHBondContact O-OG1 2.86Å; F434-T527 HydrophobicContact CD1-CG2 4.39Å; F434-T527 HydrophobicContact CE1-CG2 3.76Å; F434-T527 HydrophobicContact CE2-CG2 4.19Å; F434-T527 HydrophobicContact CZ-CG2 3.67Å; A523-T527 HydrophobicContact CB-CG2 3.93Å; D524-T527 WeakPolarHBondContact O-CA 3.21Å; D524-T527 VanDerWaalsContact O-CB 3.31Å; D524-T527 WeakPolarHBondContact O-CB 3.45Å; D524-T527 PolarHBondContact O-N 2.87Å; T527-Y530 PolarHBondContact O-N 3.15Å; T527-M531 HydrophobicContact CG2-CE 4.09Å; T527-M531 HydrophobicContact CG2-SD 4.32Å; T527-M531 VanDerWaalsContact O-CG 3.3Å; T527-M531 WeakPolarHBondContact O-CG 3.31Å; T527-M531 PolarHBondContact O-N 3.23Å
528	L	92.1	Very high	92.2	Very high	30 Å²	30	56.4 Å²	56.4	16%	0.157	28%	0.278	C	S	.	.	H	α-helix	trans	-64.6	-43	179.5	-66.6	173.7	0	0	0	111.6	V507 A523 D524 D525 M531 K532 R606	V507-L528 HydrophobicContact CG2-CD2 4.5Å; A523-L528 HydrophobicContact CB-CD2 3.86Å; A523-L528 HydrophobicContact CB-CG 3.91Å; D524-L528 PolarHBondContact O-N 3.04Å; D525-L528 PolarHBondContact O-N 3.1Å; L528-M531 PolarHBondContact O-N 2.97Å; L528-K532 WeakPolarHBondContact O-CB 3.38Å; L528-K532 PolarHBondContact O-N 3.32Å; L528-R606 VanDerWaalsContact CD1-NH1 3.27Å
529	D	91.2	Very high	92.1	Very high	74 Å²	74	63.2 Å²	63.2	40%	0.396	31%	0.307	S	S	.	.	H	α-helix	trans	-67.8	-36.8	177.3	-72.6	-2.7	0	0	0	111.6	D525 Y526 K532 K533 R606	D525-D529 WeakPolarHBondContact O-CB 3.46Å; D525-D529 VanDerWaalsContact O-CG 3.27Å; D525-D529 PolarHBondContact O-N 3.28Å; Y526-D529 PolarHBondContact O-N 2.96Å; D529-K532 PolarHBondContact O-N 3.29Å; D529-K533 WeakPolarHBondContact O-CG 3.3Å; D529-K533 PolarHBondContact O-N 3.07Å; D529-R606 IonicContact OD1-CZ 3.56Å; D529-R606 IonicContact OD1-NH2 3.57Å; D529-R606 PolarHBondContact OD1-NH2 2.95Å
530	Y	92.6	Very high	92	Very high	17 Å²	17	63.3 Å²	63.3	7%	0.067	31%	0.307	C	S	.	.	H	α-helix	trans	-62.7	-49.4	173	-174.4	-87.2	0	0	0	111.2	H430 L432 L456 Y526 T527 K532 K533 H534 F538	H430-Y530 AromaticContact ND1-CE2 3.9Å; L432-Y530 HydrophobicContact CD1-CD1 4.32Å; L432-Y530 HydrophobicContact CD2-CD1 3.55Å; L432-Y530 HydrophobicContact CD2-CE1 4.24Å; L432-Y530 HydrophobicContact CD2-CG 3.82Å; L432-Y530 HydrophobicContact CG-CD1 4.48Å; L456-Y530 HydrophobicContact CD1-CD1 4.13Å; L456-Y530 HydrophobicContact CD1-CE1 3.38Å; L456-Y530 HydrophobicContact CD1-CE2 3.97Å; L456-Y530 WeakPolarHBondContact CD1-OH 3.41Å; Y526-Y530 VanDerWaalsContact O-CB 3.27Å; Y526-Y530 WeakPolarHBondContact O-CB 3.4Å; Y526-Y530 PolarHBondContact O-N 2.95Å; T527-Y530 PolarHBondContact O-N 3.15Å; Y530-K532 VanDerWaalsContact C-N 3.29Å; Y530-K532 PolarHBondContact O-N 3.25Å; Y530-K533 PolarHBondContact O-N 2.94Å; Y530-K533 VanDerWaalsContact O-N 3.17Å; Y530-H534 AromaticContact CD1-CD2 3.77Å; Y530-H534 AromaticContact CD2-CD2 3.77Å; Y530-H534 HydrophobicContact CE1-CB 4.39Å; Y530-H534 AromaticContact CE1-CD2 3.45Å; Y530-H534 VanDerWaalsContact CE1-CD2 3.45Å; Y530-H534 WeakPolarHBondContact CE1-CD2 3.32Å; Y530-H534 AromaticContact CE2-CD2 3.44Å; Y530-H534 VanDerWaalsContact CE2-CD2 3.44Å; Y530-H534 WeakPolarHBondContact CE2-CD2 3.25Å; Y530-H534 AromaticContact CE2-NE2 3.38Å; Y530-H534 WeakPolarHBondContact CE2-NE2 3.24Å; Y530-H534 AromaticContact CG-CD2 3.92Å; Y530-H534 AromaticContact CZ-CD2 3.25Å; Y530-H534 AromaticContact CZ-NE2 3.46Å; Y530-H534 PolarHBondContact O-CD2 3.23Å; Y530-H534 VanDerWaalsContact O-CD2 3.29Å; Y530-H534 PolarHBondContact O-N 3.26Å; Y530-F538 HydrophobicContact CD1-CE2 4.12Å; Y530-F538 AromaticContact CE1-CE2 3.9Å; Y530-F538 HydrophobicContact CE1-CE2 3.9Å; Y530-F538 HydrophobicContact CE1-CZ 4.38Å
531	M	94.3	Very high	91.9	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-60.3	-39.7	177.6	-72.2	-179.2	166.9	0	0	112.3	L432 F434 L505 T527 L528 H534 K535 F538 A541 H599	L432-M531 HydrophobicContact CD1-CE 4.18Å; F434-M531 HydrophobicContact CE1-CE 3.62Å; F434-M531 HydrophobicContact CZ-CE 3.3Å; L505-M531 WeakPolarHBondContact O-CE 3.34Å; T527-M531 HydrophobicContact CG2-CE 4.09Å; T527-M531 HydrophobicContact CG2-SD 4.32Å; T527-M531 VanDerWaalsContact O-CG 3.3Å; T527-M531 WeakPolarHBondContact O-CG 3.31Å; T527-M531 PolarHBondContact O-N 3.23Å; L528-M531 PolarHBondContact O-N 2.97Å; M531-H534 CarbonylContact O-C 3.59Å; M531-H534 PolarHBondContact O-N 3.28Å; M531-K535 WeakPolarHBondContact O-CA 3.41Å; M531-K535 PolarHBondContact O-N 2.96Å; M531-K535 VanDerWaalsContact O-N 3.09Å; M531-F538 HydrophobicContact CB-CB 4.05Å; M531-F538 HydrophobicContact CB-CD2 4.16Å; M531-F538 HydrophobicContact CB-CG 4.04Å; M531-F538 HydrophobicContact CE-CD1 3.85Å; M531-F538 HydrophobicContact CE-CE1 3.89Å; M531-F538 HydrophobicContact CG-CB 4.2Å; M531-F538 HydrophobicContact CG-CD1 3.89Å; M531-F538 HydrophobicContact CG-CD2 3.96Å; M531-F538 HydrophobicContact CG-CE1 4.23Å; M531-F538 HydrophobicContact CG-CE2 4.32Å; M531-F538 HydrophobicContact CG-CG 3.74Å; M531-F538 HydrophobicContact CG-CZ 4.45Å; M531-F538 HydrophobicContact SD-CD1 4.32Å; M531-A541 HydrophobicContact CB-CB 3.77Å; M531-H599 PolarHBondContact SD-CE1 3.44Å
532	K	92.7	Very high	91.9	Very high	94 Å²	94	61.7 Å²	61.7	41%	0.409	30%	0.297	S	S	.	.	H	α-helix	trans	-64.2	-42.2	175.1	-174.2	178.7	179.4	179.1	0	112.2	L528 D529 Y530 H534	L528-K532 WeakPolarHBondContact O-CB 3.38Å; L528-K532 PolarHBondContact O-N 3.32Å; D529-K532 PolarHBondContact O-N 3.29Å; Y530-K532 VanDerWaalsContact C-N 3.29Å; Y530-K532 PolarHBondContact O-N 3.25Å; K532-H534 VanDerWaalsContact C-N 3.32Å
533	K	92.6	Very high	91.9	Very high	158 Å²	158	56.8 Å²	56.8	69%	0.687	28%	0.276	S	S	*	.	H	α-helix	trans	-63.7	-38.4	174.3	-75.2	176.2	-179.9	179.4	0	111.4	D529 Y530	D529-K533 WeakPolarHBondContact O-CG 3.3Å; D529-K533 PolarHBondContact O-N 3.07Å; Y530-K533 PolarHBondContact O-N 2.94Å; Y530-K533 VanDerWaalsContact O-N 3.17Å
534	H	92.6	Very high	91.8	Very high	65 Å²	65	61.8 Å²	61.8	30%	0.301	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-100.3	39.6	179.7	-64.1	-78.6	0	0	0	113.1	Y530 M531 K532 T536 Q537 F538	Y530-H534 AromaticContact CD1-CD2 3.77Å; Y530-H534 AromaticContact CD2-CD2 3.77Å; Y530-H534 HydrophobicContact CE1-CB 4.39Å; Y530-H534 AromaticContact CE1-CD2 3.45Å; Y530-H534 VanDerWaalsContact CE1-CD2 3.45Å; Y530-H534 WeakPolarHBondContact CE1-CD2 3.32Å; Y530-H534 AromaticContact CE2-CD2 3.44Å; Y530-H534 VanDerWaalsContact CE2-CD2 3.44Å; Y530-H534 WeakPolarHBondContact CE2-CD2 3.25Å; Y530-H534 AromaticContact CE2-NE2 3.38Å; Y530-H534 WeakPolarHBondContact CE2-NE2 3.24Å; Y530-H534 AromaticContact CG-CD2 3.92Å; Y530-H534 AromaticContact CZ-CD2 3.25Å; Y530-H534 AromaticContact CZ-NE2 3.46Å; Y530-H534 PolarHBondContact O-CD2 3.23Å; Y530-H534 VanDerWaalsContact O-CD2 3.29Å; Y530-H534 PolarHBondContact O-N 3.26Å; M531-H534 CarbonylContact O-C 3.59Å; M531-H534 PolarHBondContact O-N 3.28Å; K532-H534 VanDerWaalsContact C-N 3.32Å; H534-T536 PolarHBondContact O-N 3.36Å; H534-Q537 PolarHBondContact O-N 2.85Å; H534-F538 HydrophobicContact CB-CD2 3.91Å; H534-F538 HydrophobicContact CB-CE2 4.02Å; H534-F538 WeakPolarHBondContact O-CD2 3.3Å; H534-F538 PolarHBondContact O-N 3.39Å; H534-F538 VanDerWaalsContact O-N 3.1Å
535	K	91.7	Very high	91.9	Very high	76 Å²	76	62.5 Å²	62.5	33%	0.33	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.3	-22.5	-176.4	62.9	178	-171.3	160.4	0	115.6	M531 F538 D542	M531-K535 WeakPolarHBondContact O-CA 3.41Å; M531-K535 PolarHBondContact O-N 2.96Å; M531-K535 VanDerWaalsContact O-N 3.09Å; K535-F538 CarbonylContact O-C 3.4Å; K535-D542 HydrophobicContact CB-CB 3.94Å; K535-D542 HydrophobicContact CD-CB 4.48Å; K535-D542 IonicContact NZ-OD1 3.94Å
536	T	92	Very high	92.1	Very high	119 Å²	119	59.3 Å²	59.3	73%	0.73	28%	0.283	S	S	*	.	T	Hydrogen-bonded Turn	trans	-69.9	-33.2	174.8	52.4	0	0	0	0	112.8	H534	H534-T536 PolarHBondContact O-N 3.36Å
537	Q	91.6	Very high	92	Very high	108 Å²	108	56.7 Å²	56.7	51%	0.505	27%	0.274	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.7	-42.6	175.6	-63.4	179.3	-2.3	0	0	110.6	H534	H534-Q537 PolarHBondContact O-N 2.85Å
538	F	93.7	Very high	91.8	Very high	3 Å²	3	60.6 Å²	60.6	1%	0.013	30%	0.295	C	S	.	.			trans	-103	83.2	-178.7	-56	-81.4	0	0	0	110.4	L432 P502 Y530 M531 H534 K535 Q540 A541	L432-F538 HydrophobicContact CD1-CE1 4.15Å; L432-F538 HydrophobicContact CD1-CZ 3.8Å; P502-F538 HydrophobicContact CB-CE1 4.44Å; P502-F538 HydrophobicContact CB-CZ 4.35Å; P502-F538 WeakPolarHBondContact O-CE1 3.32Å; Y530-F538 HydrophobicContact CD1-CE2 4.12Å; Y530-F538 AromaticContact CE1-CE2 3.9Å; Y530-F538 HydrophobicContact CE1-CE2 3.9Å; Y530-F538 HydrophobicContact CE1-CZ 4.38Å; M531-F538 HydrophobicContact CB-CB 4.05Å; M531-F538 HydrophobicContact CB-CD2 4.16Å; M531-F538 HydrophobicContact CB-CG 4.04Å; M531-F538 HydrophobicContact CE-CD1 3.85Å; M531-F538 HydrophobicContact CE-CE1 3.89Å; M531-F538 HydrophobicContact CG-CB 4.2Å; M531-F538 HydrophobicContact CG-CD1 3.89Å; M531-F538 HydrophobicContact CG-CD2 3.96Å; M531-F538 HydrophobicContact CG-CE1 4.23Å; M531-F538 HydrophobicContact CG-CE2 4.32Å; M531-F538 HydrophobicContact CG-CG 3.74Å; M531-F538 HydrophobicContact CG-CZ 4.45Å; M531-F538 HydrophobicContact SD-CD1 4.32Å; H534-F538 HydrophobicContact CB-CD2 3.91Å; H534-F538 HydrophobicContact CB-CE2 4.02Å; H534-F538 WeakPolarHBondContact O-CD2 3.3Å; H534-F538 PolarHBondContact O-N 3.39Å; H534-F538 VanDerWaalsContact O-N 3.1Å; K535-F538 CarbonylContact O-C 3.4Å; F538-Q540 PolarHBondContact O-N 3.3Å; F538-Q540 VanDerWaalsContact O-N 3.16Å; F538-A541 HydrophobicContact CB-CB 4.2Å; F538-A541 WeakPolarHBondContact O-CB 3.44Å; F538-A541 PolarHBondContact O-N 3.16Å
539	K	92.1	Very high	91.6	Very high	142 Å²	142	62.6 Å²	62.6	62%	0.617	30%	0.302	S	S	*	.	G	3₁₀ helix	trans	-57.7	-32.8	-175.6	-63.1	-177	-179.1	-180	0	113.1	A541 D542 L545	K539-A541 PolarHBondContact O-N 2.84Å; K539-D542 PolarHBondContact O-N 3.21Å; K539-L545 HydrophobicContact CB-CD1 4.47Å
540	Q	91.9	Very high	91.4	Very high	39 Å²	39	59.1 Å²	59.1	18%	0.182	28%	0.284	C	S	.	.	G	3₁₀ helix	trans	-65.6	-19.3	178.3	-61.3	85.5	-21.4	0	0	112.6	Y506 F538 I546 H599 E600 T603	Y506-Q540 VanDerWaalsContact CD1-NE2 3.34Å; Y506-Q540 HydrophobicContact CD2-CG 4.32Å; Y506-Q540 HydrophobicContact CG-CG 4.18Å; F538-Q540 PolarHBondContact O-N 3.3Å; F538-Q540 VanDerWaalsContact O-N 3.16Å; Q540-I546 WeakPolarHBondContact O-CD1 3.27Å; Q540-H599 HydrophobicContact CB-CB 4.2Å; Q540-H599 PolarHBondContact O-CD2 2.88Å; Q540-E600 HydrophobicContact CB-CG 4.24Å; Q540-T603 PolarHBondContact O-OG1 3.19Å
541	A	93.4	Very high	91	Very high	3 Å²	3	60.5 Å²	60.5	3%	0.025	29%	0.292	C	S	.	.	G	3₁₀ helix	trans	-97.2	0.8	178.4	0	0	0	0	0	113.2	M531 F538 K539 C543 T603	M531-A541 HydrophobicContact CB-CB 3.77Å; F538-A541 HydrophobicContact CB-CB 4.2Å; F538-A541 WeakPolarHBondContact O-CB 3.44Å; F538-A541 PolarHBondContact O-N 3.16Å; K539-A541 PolarHBondContact O-N 2.84Å; A541-C543 PolarHBondContact O-N 3.49Å; A541-T603 WeakPolarHBondContact O-CG2 3.27Å
542	D	93.4	Very high	90.5	Very high	19 Å²	19	66 Å²	66	10%	0.102	33%	0.325	C	S	.	.			trans	-87.3	100.2	177.5	-165.2	-15.6	0	0	0	111.6	K535 K539 Q544 L545 I546	K535-D542 HydrophobicContact CB-CB 3.94Å; K535-D542 HydrophobicContact CD-CB 4.48Å; K535-D542 IonicContact NZ-OD1 3.94Å; K539-D542 PolarHBondContact O-N 3.21Å; D542-Q544 PolarHBondContact O-N 2.97Å; D542-Q544 VanDerWaalsContact O-N 3.16Å; D542-Q544 PolarHBondContact OD1-N 3.49Å; D542-L545 HydrophobicContact CB-CB 4.03Å; D542-L545 HydrophobicContact CB-CD1 3.91Å; D542-L545 HydrophobicContact CB-CG 3.99Å; D542-L545 PolarHBondContact O-N 3.32Å; D542-L545 VanDerWaalsContact O-N 3.15Å; D542-I546 VanDerWaalsContact O-CG1 3.27Å; D542-I546 WeakPolarHBondContact O-CG1 3.36Å; D542-I546 PolarHBondContact O-N 3.41Å
543	C	90.6	Very high	90	Very high	15 Å²	15	63.3 Å²	63.3	10%	0.101	32%	0.315	C	S	.	.	H	α-helix	trans	-52.6	-37.3	177.3	-167.3	0	0	0	0	112.6	A541 I546 L547 H607	A541-C543 PolarHBondContact O-N 3.49Å; C543-I546 PolarHBondContact O-N 3.5Å; C543-L547 WeakPolarHBondContact O-CB 3.44Å; C543-L547 VanDerWaalsContact O-CG 3.27Å; C543-L547 WeakPolarHBondContact O-CG 3.4Å; C543-L547 PolarHBondContact O-N 3.34Å; C543-H607 VanDerWaalsContact SG-CG 3.52Å
544	Q	90.5	Very high	89.3	Confident	119 Å²	119	56.8 Å²	56.8	56%	0.556	29%	0.287	S	S	*	.	H	α-helix	trans	-71.3	-39.6	-178.2	-69	176.4	-31.7	0	0	112	D542 I546 L547 N548	D542-Q544 PolarHBondContact O-N 2.97Å; D542-Q544 VanDerWaalsContact O-N 3.16Å; D542-Q544 PolarHBondContact OD1-N 3.49Å; Q544-I546 VanDerWaalsContact C-N 3.31Å; Q544-L547 PolarHBondContact O-N 2.98Å; Q544-N548 WeakPolarHBondContact O-CB 3.41Å; Q544-N548 PolarHBondContact O-N 3.39Å; Q544-N548 PolarHBondContact O-ND2 3.03Å
545	L	91	Very high	88.3	Confident	88 Å²	88	58.7 Å²	58.7	46%	0.461	30%	0.3	S	S	.	.	H	α-helix	trans	-65.2	-38.9	174.9	-70.8	178.7	0	0	0	111.1	K539 D542 N548 K549	K539-L545 HydrophobicContact CB-CD1 4.47Å; D542-L545 HydrophobicContact CB-CB 4.03Å; D542-L545 HydrophobicContact CB-CD1 3.91Å; D542-L545 HydrophobicContact CB-CG 3.99Å; D542-L545 PolarHBondContact O-N 3.32Å; D542-L545 VanDerWaalsContact O-N 3.15Å; L545-N548 PolarHBondContact O-N 3.42Å; L545-K549 WeakPolarHBondContact O-CB 3.48Å; L545-K549 PolarHBondContact O-N 3.24Å
546	I	90.8	Very high	87.2	Confident	1 Å²	1	61.6 Å²	61.6	1%	0.005	32%	0.319	C	S	.	.	H	α-helix	trans	-65.4	-47.8	176.9	-59.1	162.2	0	0	0	110.6	Q540 D542 C543 Q544 N548 K549 L550 L596 E600 T603 L604	Q540-I546 WeakPolarHBondContact O-CD1 3.27Å; D542-I546 VanDerWaalsContact O-CG1 3.27Å; D542-I546 WeakPolarHBondContact O-CG1 3.36Å; D542-I546 PolarHBondContact O-N 3.41Å; C543-I546 PolarHBondContact O-N 3.5Å; Q544-I546 VanDerWaalsContact C-N 3.31Å; I546-N548 VanDerWaalsContact C-N 3.34Å; I546-N548 PolarHBondContact O-N 2.87Å; I546-K549 WeakPolarHBondContact O-CB 3.48Å; I546-K549 PolarHBondContact O-N 3.39Å; I546-L550 HydrophobicContact CG2-CD1 4.48Å; I546-L550 WeakPolarHBondContact O-CG 3.5Å; I546-L550 PolarHBondContact O-N 3.37Å; I546-L596 HydrophobicContact CG2-CD1 3.59Å; I546-L596 HydrophobicContact CG2-CD2 4.2Å; I546-E600 HydrophobicContact CD1-CB 3.82Å; I546-E600 HydrophobicContact CD1-CG 3.93Å; I546-E600 HydrophobicContact CG1-CB 4.02Å; I546-E600 HydrophobicContact CG1-CG 3.82Å; I546-E600 HydrophobicContact CG2-CB 4.35Å; I546-T603 HydrophobicContact CD1-CG2 4.09Å; I546-L604 HydrophobicContact CB-CD2 4.44Å; I546-L604 HydrophobicContact CG2-CD1 3.58Å; I546-L604 HydrophobicContact CG2-CD2 4Å; I546-L604 HydrophobicContact CG2-CG 3.76Å
547	L	89	Confident	86.1	Confident	20 Å²	20	64.2 Å²	64.2	11%	0.105	32%	0.323	C	S	.	.	H	α-helix	trans	-60.7	-44	176.6	-72.7	170.4	0	0	0	111.2	C543 Q544 K549 L550 I551 L604 Y608 L753 L757	C543-L547 WeakPolarHBondContact O-CB 3.44Å; C543-L547 VanDerWaalsContact O-CG 3.27Å; C543-L547 WeakPolarHBondContact O-CG 3.4Å; C543-L547 PolarHBondContact O-N 3.34Å; Q544-L547 PolarHBondContact O-N 2.98Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 2.96Å; L547-L550 PolarHBondContact O-N 3Å; L547-I551 WeakPolarHBondContact O-CB 3.3Å; L547-I551 WeakPolarHBondContact O-CD1 3.13Å; L547-I551 WeakPolarHBondContact O-CG1 3.2Å; L547-I551 PolarHBondContact O-N 2.72Å; L547-L604 HydrophobicContact CD2-CD2 4.07Å; L547-L604 HydrophobicContact CG-CD2 4.27Å; L547-Y608 WeakPolarHBondContact CD1-OH 3.48Å; L547-Y608 HydrophobicContact CD2-CE2 4.37Å; L547-L753 HydrophobicContact CD2-CD1 4.38Å; L547-L757 HydrophobicContact CD2-CD2 3.79Å; L547-L757 HydrophobicContact CD2-CG 4.18Å
548	N	88.3	Confident	85.3	Confident	82 Å²	82	61.6 Å²	61.6	44%	0.439	31%	0.311	S	S	.	.	H	α-helix	trans	-62	-40.6	176.5	-73.8	-24.6	0	0	0	111.9	Q544 L545 I546 L550 I551 T552	Q544-N548 WeakPolarHBondContact O-CB 3.41Å; Q544-N548 PolarHBondContact O-N 3.39Å; Q544-N548 PolarHBondContact O-ND2 3.03Å; L545-N548 PolarHBondContact O-N 3.42Å; I546-N548 VanDerWaalsContact C-N 3.34Å; I546-N548 PolarHBondContact O-N 2.87Å; N548-L550 VanDerWaalsContact C-N 3.33Å; N548-L550 PolarHBondContact O-N 3.16Å; N548-I551 PolarHBondContact O-N 2.94Å; N548-T552 WeakPolarHBondContact O-CG2 3.38Å; N548-T552 PolarHBondContact O-N 3.22Å; N548-T552 PolarHBondContact O-OG1 2.84Å; N548-T552 VanDerWaalsContact O-OG1 3.09Å
549	K	87.5	Confident	84.5	Confident	72 Å²	72	62.7 Å²	62.7	31%	0.313	32%	0.316	S	S	.	.	H	α-helix	trans	-60.6	-42.6	174.3	-176.3	178.4	172.3	-169.8	0	110.9	L545 I546 L547 T552 I553 L596 E600	L545-K549 WeakPolarHBondContact O-CB 3.48Å; L545-K549 PolarHBondContact O-N 3.24Å; I546-K549 WeakPolarHBondContact O-CB 3.48Å; I546-K549 PolarHBondContact O-N 3.39Å; L547-K549 VanDerWaalsContact C-N 3.32Å; L547-K549 PolarHBondContact O-N 2.96Å; K549-T552 WeakPolarHBondContact CA-OG1 3.3Å; K549-T552 PolarHBondContact O-OG1 3.36Å; K549-I553 HydrophobicContact CG-CD1 4.38Å; K549-I553 WeakPolarHBondContact O-CD1 3.4Å; K549-I553 VanDerWaalsContact O-CG1 3.27Å; K549-I553 WeakPolarHBondContact O-CG1 3.44Å; K549-I553 PolarHBondContact O-N 3.26Å; K549-L596 HydrophobicContact CD-CD2 3.81Å; K549-L596 HydrophobicContact CG-CD2 4.46Å; K549-E600 IonicContact NZ-OE1 2.78Å; K549-E600 PolarHBondContact NZ-OE1 3.02Å; K549-E600 IonicContact NZ-OE2 3.65Å; K549-E600 PolarHBondContact NZ-OE2 3.17Å
550	L	86.4	Confident	83.8	Confident	2 Å²	2	61 Å²	61	1%	0.01	31%	0.314	C	S	.	.	H	α-helix	trans	-66.2	-45.7	174.6	-69.4	177.5	0	0	0	112.1	I546 L547 N548 T552 I553 L554 I586 T590 L596 L604 L757	I546-L550 HydrophobicContact CG2-CD1 4.48Å; I546-L550 WeakPolarHBondContact O-CG 3.5Å; I546-L550 PolarHBondContact O-N 3.37Å; L547-L550 PolarHBondContact O-N 3Å; N548-L550 VanDerWaalsContact C-N 3.33Å; N548-L550 PolarHBondContact O-N 3.16Å; L550-T552 VanDerWaalsContact C-N 3.27Å; L550-T552 PolarHBondContact O-N 3.03Å; L550-I553 PolarHBondContact O-N 3.37Å; L550-L554 WeakPolarHBondContact O-CG 3.43Å; L550-L554 PolarHBondContact O-N 2.91Å; L550-I586 HydrophobicContact CD2-CG2 4.11Å; L550-T590 HydrophobicContact CD2-CG2 3.35Å; L550-L596 HydrophobicContact CD1-CD1 4.1Å; L550-L596 HydrophobicContact CD2-CD1 3.95Å; L550-L596 HydrophobicContact CD2-CD2 4.47Å; L550-L596 HydrophobicContact CD2-CG 4.25Å; L550-L596 HydrophobicContact CG-CD1 4.16Å; L550-L604 HydrophobicContact CD1-CD1 3.87Å; L550-L757 HydrophobicContact CB-CD2 3.61Å; L550-L757 HydrophobicContact CD1-CD2 3.82Å; L550-L757 HydrophobicContact CG-CD2 4.37Å
551	I	84.4	Confident	83.4	Confident	45 Å²	45	65.6 Å²	65.6	23%	0.231	34%	0.335	C	S	.	.	H	α-helix	trans	-59	-38	177.7	-68.8	158.2	0	0	0	111.3	L547 N548 I553 L554 L757	L547-I551 WeakPolarHBondContact O-CB 3.3Å; L547-I551 WeakPolarHBondContact O-CD1 3.13Å; L547-I551 WeakPolarHBondContact O-CG1 3.2Å; L547-I551 PolarHBondContact O-N 2.72Å; N548-I551 PolarHBondContact O-N 2.94Å; I551-I553 PolarHBondContact O-N 3.1Å; I551-L554 PolarHBondContact O-N 3Å; I551-L757 WeakPolarHBondContact CG1-O 3.33Å
552	T	84.3	Confident	82.9	Confident	115 Å²	115	65.7 Å²	65.7	71%	0.706	34%	0.335	S	S	*	.	H	α-helix	trans	-68.7	-22.1	177.5	45.5	0	0	0	0	113.9	N548 K549 L550	N548-T552 WeakPolarHBondContact O-CG2 3.38Å; N548-T552 PolarHBondContact O-N 3.22Å; N548-T552 PolarHBondContact O-OG1 2.84Å; N548-T552 VanDerWaalsContact O-OG1 3.09Å; K549-T552 WeakPolarHBondContact CA-OG1 3.3Å; K549-T552 PolarHBondContact O-OG1 3.36Å; L550-T552 VanDerWaalsContact C-N 3.27Å; L550-T552 PolarHBondContact O-N 3.03Å
553	I	82.6	Confident	82.4	Confident	38 Å²	38	66.7 Å²	66.7	20%	0.195	34%	0.34	C	S	.	.	H	α-helix	trans	-91.4	-30.4	179.4	-60.9	159.1	0	0	0	110.5	K549 L550 I551 N555 T590 N594	K549-I553 HydrophobicContact CG-CD1 4.38Å; K549-I553 WeakPolarHBondContact O-CD1 3.4Å; K549-I553 VanDerWaalsContact O-CG1 3.27Å; K549-I553 WeakPolarHBondContact O-CG1 3.44Å; K549-I553 PolarHBondContact O-N 3.26Å; L550-I553 PolarHBondContact O-N 3.37Å; I551-I553 PolarHBondContact O-N 3.1Å; I553-N555 PolarHBondContact O-N 3.29Å; I553-T590 HydrophobicContact CD1-CG2 3.94Å; I553-N594 HydrophobicContact CD1-CB 3.5Å; I553-N594 VanDerWaalsContact CD1-CB 3.5Å; I553-N594 HydrophobicContact CG1-CB 4.29Å
554	L	78.4	Confident	82.1	Confident	21 Å²	21	72.5 Å²	72.5	11%	0.11	36%	0.364	C	S	.	.			trans	-68.7	120.5	-179.2	-77.8	167.7	0	0	0	111.9	L550 I551 I562 L589 L757	L550-L554 WeakPolarHBondContact O-CG 3.43Å; L550-L554 PolarHBondContact O-N 2.91Å; I551-L554 PolarHBondContact O-N 3Å; L554-I562 HydrophobicContact CD2-CD1 3.48Å; L554-I562 VanDerWaalsContact CD2-CD1 3.48Å; L554-L589 HydrophobicContact CD2-CD1 4.05Å; L554-L589 HydrophobicContact CD2-CD2 3.78Å; L554-L589 HydrophobicContact CD2-CG 4.35Å; L554-L757 HydrophobicContact CD1-CB 4.15Å; L554-L757 HydrophobicContact CD1-CD2 4.08Å
555	N	70.6	Confident	82	Confident	106 Å²	106	68.9 Å²	68.9	57%	0.567	35%	0.345	S	S	*	.			trans	-90.2	147	167.9	-70.6	-29.7	0	0	0	110	I553 E557 Q558	I553-N555 PolarHBondContact O-N 3.29Å; N555-E557 PolarHBondContact O-N 3.47Å; N555-Q558 PolarHBondContact O-N 2.79Å
556	N	67.9	Low	81.6	Confident	136 Å²	136	64.7 Å²	64.7	73%	0.727	32%	0.323	S	S	*	.	G	3₁₀ helix	trans	-53.2	-26.8	-180	-77.9	-29.7	0	0	0	114	Q558 H559	N556-Q558 VanDerWaalsContact C-N 3.3Å; N556-Q558 PolarHBondContact O-N 2.86Å; N556-H559 PolarHBondContact O-CD2 3.09Å
557	E	68.7	Low	81.3	Confident	175 Å²	175	68.1 Å²	68.1	82%	0.818	34%	0.344	S	S	*	.	G	3₁₀ helix	trans	-69.4	-25	-179.6	-62.8	-175.6	164.1	0	0	113.4	N555 H559	N555-E557 PolarHBondContact O-N 3.47Å; E557-H559 VanDerWaalsContact C-N 3.3Å; E557-H559 PolarHBondContact O-N 2.78Å
558	Q	75.1	Confident	81.3	Confident	53 Å²	53	73 Å²	73	25%	0.248	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-83.5	-6.8	-176.4	-66	177.9	-40	0	0	113.1	N555 N556 D560 E561 I562	N555-Q558 PolarHBondContact O-N 2.79Å; N556-Q558 VanDerWaalsContact C-N 3.3Å; N556-Q558 PolarHBondContact O-N 2.86Å; Q558-D560 VanDerWaalsContact C-N 3.34Å; Q558-D560 PolarHBondContact O-N 3.23Å; Q558-E561 PolarHBondContact O-N 3.23Å; Q558-I562 HydrophobicContact CB-CD1 4.34Å; Q558-I562 WeakPolarHBondContact O-CD1 3.5Å; Q558-I562 VanDerWaalsContact O-CG1 3.23Å; Q558-I562 WeakPolarHBondContact O-CG1 3.37Å; Q558-I562 PolarHBondContact O-N 2.73Å
559	H	77.4	Confident	81.3	Confident	25 Å²	25	72.9 Å²	72.9	12%	0.116	37%	0.367	C	S	.	.	H	α-helix	trans	-59.3	-44.8	-174.8	-70.6	-157.9	0	0	0	111.7	N556 E557 I562 I563 L758	N556-H559 PolarHBondContact O-CD2 3.09Å; E557-H559 VanDerWaalsContact C-N 3.3Å; E557-H559 PolarHBondContact O-N 2.78Å; H559-I562 PolarHBondContact O-N 2.88Å; H559-I563 WeakPolarHBondContact O-CD1 3.49Å; H559-I563 VanDerWaalsContact O-CG1 3.29Å; H559-I563 WeakPolarHBondContact O-CG1 3.47Å; H559-I563 PolarHBondContact O-N 3.29Å; H559-L758 HydrophobicContact CB-CD1 4.11Å; H559-L758 HydrophobicContact CB-CD2 4.31Å; H559-L758 VanDerWaalsContact CD2-CD2 3.43Å; H559-L758 WeakPolarHBondContact CD2-CD2 3.47Å
560	D	78.2	Confident	81.3	Confident	108 Å²	108	69.8 Å²	69.8	58%	0.578	35%	0.354	S	S	*	.	H	α-helix	trans	-71	-34.1	-179	-72.4	-8.3	0	0	0	112.2	Q558 K564	Q558-D560 VanDerWaalsContact C-N 3.34Å; Q558-D560 PolarHBondContact O-N 3.23Å; D560-K564 WeakPolarHBondContact O-CB 3.33Å; D560-K564 VanDerWaalsContact O-CG 3.26Å; D560-K564 WeakPolarHBondContact O-CG 3.38Å; D560-K564 PolarHBondContact O-N 3.43Å
561	E	82.2	Confident	81.2	Confident	134 Å²	134	75 Å²	75	63%	0.626	39%	0.388	S	S	*	.	H	α-helix	trans	-66.7	-40	176.8	-64.8	-172.7	161.3	0	0	111.4	Q558 K564 Y565	Q558-E561 PolarHBondContact O-N 3.23Å; E561-K564 PolarHBondContact O-N 3.42Å; E561-Y565 WeakPolarHBondContact O-CB 3.49Å; E561-Y565 PolarHBondContact O-N 2.82Å
562	I	82.8	Confident	81.1	Confident	6 Å²	6	79 Å²	79	3%	0.031	41%	0.41	C	S	.	.	H	α-helix	trans	-62.3	-48.3	176.7	-68.4	161	0	0	0	110.9	L554 Q558 H559 Y565 A566 L589 I754 L758	L554-I562 HydrophobicContact CD2-CD1 3.48Å; L554-I562 VanDerWaalsContact CD2-CD1 3.48Å; Q558-I562 HydrophobicContact CB-CD1 4.34Å; Q558-I562 WeakPolarHBondContact O-CD1 3.5Å; Q558-I562 VanDerWaalsContact O-CG1 3.23Å; Q558-I562 WeakPolarHBondContact O-CG1 3.37Å; Q558-I562 PolarHBondContact O-N 2.73Å; H559-I562 PolarHBondContact O-N 2.88Å; I562-Y565 PolarHBondContact O-N 3.27Å; I562-A566 WeakPolarHBondContact O-CB 3.5Å; I562-A566 PolarHBondContact O-N 2.67Å; I562-L589 HydrophobicContact CD1-CD1 4.09Å; I562-L589 HydrophobicContact CD1-CD2 3.64Å; I562-L589 HydrophobicContact CD1-CG 4.49Å; I562-L589 HydrophobicContact CG1-CD1 4.23Å; I562-L589 HydrophobicContact CG1-CD2 3.59Å; I562-L589 HydrophobicContact CG1-CG 4.41Å; I562-I754 HydrophobicContact CG2-CD1 3.91Å; I562-I754 HydrophobicContact CG2-CG1 3.91Å; I562-I754 HydrophobicContact CG2-CG2 4.32Å; I562-L758 HydrophobicContact CD1-CD2 4.44Å
563	I	83	Confident	81.1	Confident	39 Å²	39	78.7 Å²	78.7	20%	0.2	40%	0.404	C	S	.	.	H	α-helix	trans	-63.6	-44.9	-179.4	-63.2	163.4	0	0	0	109.6	H559 Y565 A566 V567 I754 L758 L762 F763	H559-I563 WeakPolarHBondContact O-CD1 3.49Å; H559-I563 VanDerWaalsContact O-CG1 3.29Å; H559-I563 WeakPolarHBondContact O-CG1 3.47Å; H559-I563 PolarHBondContact O-N 3.29Å; I563-Y565 PolarHBondContact O-N 2.87Å; I563-A566 PolarHBondContact O-N 2.8Å; I563-V567 HydrophobicContact CG2-CG2 4.35Å; I563-V567 VanDerWaalsContact O-CG2 3.31Å; I563-V567 WeakPolarHBondContact O-CG2 3.25Å; I563-V567 PolarHBondContact O-N 3.13Å; I563-I754 HydrophobicContact CG1-CG2 4.28Å; I563-L758 HydrophobicContact CD1-CD1 4.28Å; I563-L758 HydrophobicContact CG1-CD1 4.39Å; I563-L762 HydrophobicContact CD1-CD1 3.87Å; I563-F763 HydrophobicContact CG2-CE1 4.43Å; I563-F763 HydrophobicContact CG2-CZ 4.28Å
564	K	85.6	Confident	81.2	Confident	137 Å²	137	80.2 Å²	80.2	60%	0.596	42%	0.415	S	S	*	.	H	α-helix	trans	-60.5	-44.6	176.1	-76	173.5	-174.3	171.8	0	112.3	D560 E561 N568	D560-K564 WeakPolarHBondContact O-CB 3.33Å; D560-K564 VanDerWaalsContact O-CG 3.26Å; D560-K564 WeakPolarHBondContact O-CG 3.38Å; D560-K564 PolarHBondContact O-N 3.43Å; E561-K564 PolarHBondContact O-N 3.42Å; K564-N568 VanDerWaalsContact O-CB 3.27Å; K564-N568 WeakPolarHBondContact O-CB 3.36Å; K564-N568 PolarHBondContact O-N 3.24Å; K564-N568 PolarHBondContact O-ND2 2.8Å
565	Y	86.8	Confident	81.5	Confident	44 Å²	44	79.5 Å²	79.5	17%	0.173	41%	0.413	C	S	.	.	H	α-helix	trans	-60.7	-47.4	176.9	-179.7	-85.3	0	0	0	110.7	E561 I562 I563 N568 Q569 N584 L585	E561-Y565 WeakPolarHBondContact O-CB 3.49Å; E561-Y565 PolarHBondContact O-N 2.82Å; I562-Y565 PolarHBondContact O-N 3.27Å; I563-Y565 PolarHBondContact O-N 2.87Å; Y565-N568 PolarHBondContact O-N 3Å; Y565-Q569 HydrophobicContact CD1-CG 4.01Å; Y565-Q569 HydrophobicContact CE1-CG 3.62Å; Y565-Q569 HydrophobicContact CE2-CG 4.4Å; Y565-Q569 VanDerWaalsContact O-CG 3.3Å; Y565-Q569 WeakPolarHBondContact O-CG 3.44Å; Y565-Q569 PolarHBondContact O-N 2.93Å; Y565-Q569 VanDerWaalsContact O-N 3.07Å; Y565-N584 WeakPolarHBondContact OH-CB 3.44Å; Y565-L585 HydrophobicContact CD1-CB 4.13Å; Y565-L585 HydrophobicContact CD1-CD1 3.82Å; Y565-L585 HydrophobicContact CD1-CG 4.11Å; Y565-L585 HydrophobicContact CE1-CB 3.75Å; Y565-L585 HydrophobicContact CE1-CD1 4.17Å; Y565-L585 HydrophobicContact CE1-CG 4.26Å
566	A	83.4	Confident	82.3	Confident	0 Å²	0	75.3 Å²	75.3	0%	0	39%	0.391	C	S	.	.	H	α-helix	trans	-63.9	-44.1	-177.4	0	0	0	0	0	112.8	I562 I563 Q569 D570 Y750 I754	I562-A566 WeakPolarHBondContact O-CB 3.5Å; I562-A566 PolarHBondContact O-N 2.67Å; I563-A566 PolarHBondContact O-N 2.8Å; A566-Q569 PolarHBondContact O-N 2.87Å; A566-D570 PolarHBondContact O-N 2.63Å; A566-Y750 HydrophobicContact CB-CD2 3.58Å; A566-Y750 HydrophobicContact CB-CE2 3.86Å; A566-Y750 HydrophobicContact CB-CG 4.19Å; A566-I754 HydrophobicContact CB-CD1 3.42Å; A566-I754 VanDerWaalsContact CB-CD1 3.42Å
567	V	85	Confident	83.3	Confident	72 Å²	72	69 Å²	69	44%	0.436	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-40.5	175.6	174.4	0	0	0	0	111.1	I563 Q569 D570	I563-V567 HydrophobicContact CG2-CG2 4.35Å; I563-V567 VanDerWaalsContact O-CG2 3.31Å; I563-V567 WeakPolarHBondContact O-CG2 3.25Å; I563-V567 PolarHBondContact O-N 3.13Å; V567-Q569 PolarHBondContact O-N 2.81Å; V567-D570 CarbonylContact O-C 3.37Å; V567-D570 PolarHBondContact O-N 2.77Å; V567-D570 VanDerWaalsContact O-N 3.16Å
568	N	88.6	Confident	84.2	Confident	123 Å²	123	61.3 Å²	61.3	66%	0.658	33%	0.325	S	S	*	.	H	α-helix	trans	-65.5	-26.3	177.5	-73.5	-16.6	0	0	0	113.4	K564 Y565	K564-N568 VanDerWaalsContact O-CB 3.27Å; K564-N568 WeakPolarHBondContact O-CB 3.36Å; K564-N568 PolarHBondContact O-N 3.24Å; K564-N568 PolarHBondContact O-ND2 2.8Å; Y565-N568 PolarHBondContact O-N 3Å
569	Q	88.4	Confident	84.8	Confident	79 Å²	79	62.1 Å²	62.1	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-85.9	-8.7	177	-64.7	-60.1	-38.6	0	0	113.5	Y565 A566 V567 P571	Y565-Q569 HydrophobicContact CD1-CG 4.01Å; Y565-Q569 HydrophobicContact CE1-CG 3.62Å; Y565-Q569 HydrophobicContact CE2-CG 4.4Å; Y565-Q569 VanDerWaalsContact O-CG 3.3Å; Y565-Q569 WeakPolarHBondContact O-CG 3.44Å; Y565-Q569 PolarHBondContact O-N 2.93Å; Y565-Q569 VanDerWaalsContact O-N 3.07Å; A566-Q569 PolarHBondContact O-N 2.87Å; V567-Q569 PolarHBondContact O-N 2.81Å; Q569-P571 VanDerWaalsContact C-CD 3.44Å; Q569-P571 WeakPolarHBondContact O-CD 3.08Å
570	D	86.6	Confident	85.3	Confident	7 Å²	7	66 Å²	66	4%	0.037	35%	0.35	C	S	.	.			trans	-125.1	68.7	179.1	-177.8	32.2	0	0	0	110.9	A566 V567 D572 D573 T574 G575 T576 Y750	A566-D570 PolarHBondContact O-N 2.63Å; V567-D570 CarbonylContact O-C 3.37Å; V567-D570 PolarHBondContact O-N 2.77Å; V567-D570 VanDerWaalsContact O-N 3.16Å; D570-D572 PolarHBondContact O-N 2.82Å; D570-D572 VanDerWaalsContact O-N 3.14Å; D570-D573 PolarHBondContact O-N 3.3Å; D570-D573 WeakPolarHBondContact OD2-CA 3.5Å; D570-T574 VanDerWaalsContact CG-N 3.33Å; D570-T574 PolarHBondContact OD1-N 3.34Å; D570-T574 PolarHBondContact OD1-OG1 3.21Å; D570-T574 PolarHBondContact OD2-N 3.03Å; D570-G575 WeakPolarHBondContact OD2-CA 3.35Å; D570-G575 PolarHBondContact OD2-N 2.91Å; D570-T576 PolarHBondContact OD2-N 3.05Å; D570-Y750 HydrophobicContact CB-CE1 3.61Å; D570-Y750 WeakPolarHBondContact OD2-CE1 3.22Å; D570-Y750 PolarHBondContact OD2-OH 3.28Å
571	P	84.2	Confident	85.8	Confident	112 Å²	112	64 Å²	64	73%	0.727	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.5	-176.4	24.8	-34	0	0	0	113.7	Q569 D573	Q569-P571 VanDerWaalsContact C-CD 3.44Å; Q569-P571 WeakPolarHBondContact O-CD 3.08Å; P571-D573 VanDerWaalsContact C-N 3.34Å
572	D	84.1	Confident	86.2	Confident	130 Å²	130	57.6 Å²	57.6	70%	0.695	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.4	1.8	179.5	-61.9	-30.1	0	0	0	112.7	D570 T574	D570-D572 PolarHBondContact O-N 2.82Å; D570-D572 VanDerWaalsContact O-N 3.14Å; D572-T574 HydrophobicContact CB-CG2 3.84Å; D572-T574 PolarHBondContact O-N 2.86Å
573	D	83.2	Confident	86.4	Confident	108 Å²	108	59 Å²	59	58%	0.578	31%	0.314	S	S	*	.			trans	48	39.1	-174.9	-166.3	22.1	0	0	0	113.7	D570 P571 G575 K751	D570-D573 PolarHBondContact O-N 3.3Å; D570-D573 WeakPolarHBondContact OD2-CA 3.5Å; P571-D573 VanDerWaalsContact C-N 3.34Å; D573-G575 PolarHBondContact O-N 2.81Å; D573-K751 IonicContact OD1-NZ 2.6Å; D573-K751 PolarHBondContact OD1-NZ 3.01Å
574	T	84.6	Confident	86.7	Confident	69 Å²	69	61 Å²	61	42%	0.423	33%	0.325	S	S	.	.			trans	-69	-14.4	177.8	63.6	0	0	0	0	112.9	D570 D572 T576	D570-T574 VanDerWaalsContact CG-N 3.33Å; D570-T574 PolarHBondContact OD1-N 3.34Å; D570-T574 PolarHBondContact OD1-OG1 3.21Å; D570-T574 PolarHBondContact OD2-N 3.03Å; D572-T574 HydrophobicContact CB-CG2 3.84Å; D572-T574 PolarHBondContact O-N 2.86Å; T574-T576 PolarHBondContact O-N 3.14Å; T574-T576 PolarHBondContact OG1-N 3.16Å; T574-T576 PolarHBondContact OG1-O 3.3Å; T574-T576 PolarHBondContact OG1-OG1 3.33Å
575	G	84.4	Confident	86.8	Confident	6 Å²	6	54.7 Å²	54.7	6%	0.062	30%	0.298	C	S	.	.	S	Bend	trans	73.7	10.6	-168.7	0	0	0	0	0	113.7	D570 D573 Y750	D570-G575 WeakPolarHBondContact OD2-CA 3.35Å; D570-G575 PolarHBondContact OD2-N 2.91Å; D573-G575 PolarHBondContact O-N 2.81Å; G575-Y750 VanDerWaalsContact C-CD1 3.49Å; G575-Y750 WeakPolarHBondContact O-CD1 3.4Å; G575-Y750 WeakPolarHBondContact O-CE1 3.33Å; G575-Y750 PolarHBondContact O-N 2.78Å
576	T	88.5	Confident	86.8	Confident	19 Å²	19	52.6 Å²	52.6	12%	0.117	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	145.5	-175.7	71.3	0	0	0	0	113.8	D570 T574 V610 R747 I748 Y750	D570-T576 PolarHBondContact OD2-N 3.05Å; T574-T576 PolarHBondContact O-N 3.14Å; T574-T576 PolarHBondContact OG1-N 3.16Å; T574-T576 PolarHBondContact OG1-O 3.3Å; T574-T576 PolarHBondContact OG1-OG1 3.33Å; T576-V610 HydrophobicContact CG2-CG2 3.68Å; T576-R747 PolarHBondContact O-NH1 3.05Å; T576-R747 VanDerWaalsContact O-NH1 3.14Å; T576-R747 PolarHBondContact OG1-NH1 2.91Å; T576-R747 VanDerWaalsContact OG1-NH1 3.15Å; T576-I748 WeakPolarHBondContact CA-O 3.49Å; T576-I748 WeakPolarHBondContact CB-O 3.04Å; T576-Y750 VanDerWaalsContact N-CE1 3.27Å
577	F	88.3	Confident	87	Confident	3 Å²	3	55.9 Å²	55.9	1%	0.013	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	167.6	171.4	68.5	-14.3	0	0	0	111	Q581 M582 L585 I748 Y750 L753	F577-Q581 HydrophobicContact CB-CB 4.13Å; F577-Q581 HydrophobicContact CD2-CB 3.5Å; F577-Q581 VanDerWaalsContact CD2-CB 3.5Å; F577-Q581 HydrophobicContact CE2-CB 4.14Å; F577-Q581 HydrophobicContact CG-CB 4Å; F577-M582 HydrophobicContact CE1-CB 3.86Å; F577-M582 HydrophobicContact CE1-CG 4.25Å; F577-M582 HydrophobicContact CE2-CB 4.26Å; F577-M582 HydrophobicContact CZ-CB 3.6Å; F577-M582 HydrophobicContact CZ-CG 3.93Å; F577-L585 HydrophobicContact CE2-CB 4.38Å; F577-L585 HydrophobicContact CE2-CD1 3.79Å; F577-L585 HydrophobicContact CZ-CD1 4.17Å; F577-I748 HydrophobicContact CD1-CB 3.93Å; F577-I748 HydrophobicContact CD1-CG2 4.42Å; F577-I748 HydrophobicContact CE1-CB 3.85Å; F577-I748 HydrophobicContact CE1-CG2 3.87Å; F577-I748 PolarHBondContact N-O 3.12Å; F577-I748 VanDerWaalsContact N-O 3.1Å; F577-I748 PolarHBondContact O-N 3.06Å; F577-Y750 HydrophobicContact CB-CD1 4.32Å; F577-Y750 HydrophobicContact CD1-CD1 4.19Å; F577-Y750 HydrophobicContact CD1-CG 4.43Å; F577-Y750 VanDerWaalsContact CE1-CB 3.47Å; F577-Y750 HydrophobicContact CG-CD1 4.21Å; F577-L753 HydrophobicContact CZ-CD2 4.47Å
578	G	87.5	Confident	86.9	Confident	14 Å²	14	58.6 Å²	58.6	14%	0.144	32%	0.315	C	S	.	.			trans	-79.7	171.4	-179.3	0	0	0	0	0	114.2	Q581 M582 E746	G578-Q581 VanDerWaalsContact N-OE1 3.15Å; G578-Q581 PolarHBondContact O-N 2.84Å; G578-Q581 PolarHBondContact O-OE1 3.26Å; G578-Q581 VanDerWaalsContact O-OE1 3.14Å; G578-M582 PolarHBondContact O-N 3.39Å; G578-E746 WeakPolarHBondContact CA-O 2.8Å
579	F	87.4	Confident	86.5	Confident	69 Å²	69	53.8 Å²	53.8	30%	0.303	29%	0.289	S	S	.	.	H	α-helix	trans	-63.1	-42.3	-177.2	-179.3	-121.3	0	0	0	113.5	Q581 M582 I583 A605 I748	F579-Q581 VanDerWaalsContact C-N 3.29Å; F579-Q581 PolarHBondContact O-N 3.29Å; F579-M582 HydrophobicContact CD2-CE 3.84Å; F579-M582 HydrophobicContact CE2-CE 3.69Å; F579-M582 WeakPolarHBondContact O-CB 3.42Å; F579-M582 PolarHBondContact O-N 3.01Å; F579-M582 VanDerWaalsContact O-N 3.16Å; F579-I583 HydrophobicContact CD1-CD1 3.74Å; F579-I583 HydrophobicContact CD2-CD1 4.48Å; F579-I583 HydrophobicContact CE1-CD1 3.35Å; F579-I583 HydrophobicContact CE1-CG1 4.3Å; F579-I583 HydrophobicContact CE2-CD1 4.14Å; F579-I583 HydrophobicContact CE2-CG1 4.23Å; F579-I583 HydrophobicContact CG-CD1 4.32Å; F579-I583 HydrophobicContact CZ-CD1 3.59Å; F579-I583 HydrophobicContact CZ-CG1 4.11Å; F579-I583 PolarHBondContact O-N 3.06Å; F579-A605 HydrophobicContact CD2-CB 3.38Å; F579-A605 HydrophobicContact CE2-CB 3.36Å; F579-I748 HydrophobicContact CB-CD1 4.32Å; F579-I748 HydrophobicContact CD2-CD1 4.02Å
580	D	88.5	Confident	86	Confident	108 Å²	108	50.5 Å²	50.5	58%	0.578	27%	0.274	S	S	*	.	H	α-helix	trans	-65.2	-35.5	178.7	-65	-39.7	0	0	0	111.5	M582 I583 N584	D580-M582 VanDerWaalsContact C-N 3.33Å; D580-M582 PolarHBondContact O-N 3.36Å; D580-I583 PolarHBondContact O-N 3.32Å; D580-N584 WeakPolarHBondContact O-CB 3.21Å; D580-N584 VanDerWaalsContact O-CG 3.24Å; D580-N584 PolarHBondContact O-N 3.48Å; D580-N584 PolarHBondContact O-ND2 3.1Å
581	Q	89.3	Confident	85.6	Confident	65 Å²	65	51.9 Å²	51.9	30%	0.304	29%	0.291	S	S	.	.	H	α-helix	trans	-64.1	-38.7	174.5	-65.1	81.5	-1.9	0	0	111.5	F577 G578 F579 N584 L585	F577-Q581 HydrophobicContact CB-CB 4.13Å; F577-Q581 HydrophobicContact CD2-CB 3.5Å; F577-Q581 VanDerWaalsContact CD2-CB 3.5Å; F577-Q581 HydrophobicContact CE2-CB 4.14Å; F577-Q581 HydrophobicContact CG-CB 4Å; G578-Q581 VanDerWaalsContact N-OE1 3.15Å; G578-Q581 PolarHBondContact O-N 2.84Å; G578-Q581 PolarHBondContact O-OE1 3.26Å; G578-Q581 VanDerWaalsContact O-OE1 3.14Å; F579-Q581 VanDerWaalsContact C-N 3.29Å; F579-Q581 PolarHBondContact O-N 3.29Å; Q581-N584 PolarHBondContact O-N 3.49Å; Q581-L585 WeakPolarHBondContact O-CB 3.46Å; Q581-L585 PolarHBondContact O-N 2.98Å
582	M	89.4	Confident	85.2	Confident	0 Å²	0	56.3 Å²	56.3	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-66	-44.5	174	-172.4	-161.5	69.4	0	0	111.8	F577 G578 F579 D580 N584 L585 I586 L601 L604 A605 I748 L753	F577-M582 HydrophobicContact CE1-CB 3.86Å; F577-M582 HydrophobicContact CE1-CG 4.25Å; F577-M582 HydrophobicContact CE2-CB 4.26Å; F577-M582 HydrophobicContact CZ-CB 3.6Å; F577-M582 HydrophobicContact CZ-CG 3.93Å; G578-M582 PolarHBondContact O-N 3.39Å; F579-M582 HydrophobicContact CD2-CE 3.84Å; F579-M582 HydrophobicContact CE2-CE 3.69Å; F579-M582 WeakPolarHBondContact O-CB 3.42Å; F579-M582 PolarHBondContact O-N 3.01Å; F579-M582 VanDerWaalsContact O-N 3.16Å; D580-M582 VanDerWaalsContact C-N 3.33Å; D580-M582 PolarHBondContact O-N 3.36Å; M582-N584 VanDerWaalsContact C-N 3.3Å; M582-N584 PolarHBondContact O-N 3.14Å; M582-L585 PolarHBondContact O-N 3.19Å; M582-I586 HydrophobicContact CE-CD1 4.12Å; M582-I586 HydrophobicContact CG-CD1 3.83Å; M582-I586 HydrophobicContact CG-CG1 4.41Å; M582-I586 WeakPolarHBondContact O-CG1 3.21Å; M582-I586 PolarHBondContact O-N 3.02Å; M582-I586 HydrophobicContact SD-CD1 4.13Å; M582-L601 WeakPolarHBondContact CE-O 3.41Å; M582-L604 HydrophobicContact CE-CB 4.45Å; M582-L604 HydrophobicContact SD-CB 4.33Å; M582-A605 HydrophobicContact CE-CB 3.77Å; M582-A605 HydrophobicContact SD-CB 4.26Å; M582-I748 HydrophobicContact CB-CD1 3.78Å; M582-I748 HydrophobicContact CE-CD1 4.15Å; M582-I748 HydrophobicContact CG-CD1 4.19Å; M582-I748 HydrophobicContact SD-CD1 3.57Å; M582-I748 VanDerWaalsContact SD-CD1 3.57Å; M582-I748 HydrophobicContact SD-CG2 4.29Å; M582-L753 HydrophobicContact CG-CD2 4.08Å; M582-L753 HydrophobicContact SD-CD2 4.35Å
583	I	88.6	Confident	84.7	Confident	35 Å²	35	59 Å²	59	18%	0.179	31%	0.307	C	S	.	.	H	α-helix	trans	-58.4	-46.3	176.5	-69.4	168	0	0	0	110.1	F579 D580 I586 N587 L601	F579-I583 HydrophobicContact CD1-CD1 3.74Å; F579-I583 HydrophobicContact CD2-CD1 4.48Å; F579-I583 HydrophobicContact CE1-CD1 3.35Å; F579-I583 HydrophobicContact CE1-CG1 4.3Å; F579-I583 HydrophobicContact CE2-CD1 4.14Å; F579-I583 HydrophobicContact CE2-CG1 4.23Å; F579-I583 HydrophobicContact CG-CD1 4.32Å; F579-I583 HydrophobicContact CZ-CD1 3.59Å; F579-I583 HydrophobicContact CZ-CG1 4.11Å; F579-I583 PolarHBondContact O-N 3.06Å; D580-I583 PolarHBondContact O-N 3.32Å; I583-I586 PolarHBondContact O-N 3.48Å; I583-N587 VanDerWaalsContact CG2-ND2 3.27Å; I583-N587 WeakPolarHBondContact CG2-ND2 3.45Å; I583-N587 VanDerWaalsContact O-CB 3.28Å; I583-N587 WeakPolarHBondContact O-CB 3.35Å; I583-N587 PolarHBondContact O-N 3.41Å; I583-N587 PolarHBondContact O-ND2 2.94Å; I583-L601 HydrophobicContact CG1-CD1 4.35Å; I583-L601 HydrophobicContact CG2-CD1 4.43Å
584	N	88.7	Confident	84.4	Confident	82 Å²	82	57.4 Å²	57.4	44%	0.439	30%	0.298	S	S	.	.	H	α-helix	trans	-63.1	-43.2	178.9	-70.8	-25.1	0	0	0	112	Y565 D580 Q581 M582 N587 Q588	Y565-N584 WeakPolarHBondContact OH-CB 3.44Å; D580-N584 WeakPolarHBondContact O-CB 3.21Å; D580-N584 VanDerWaalsContact O-CG 3.24Å; D580-N584 PolarHBondContact O-N 3.48Å; D580-N584 PolarHBondContact O-ND2 3.1Å; Q581-N584 PolarHBondContact O-N 3.49Å; M582-N584 VanDerWaalsContact C-N 3.3Å; M582-N584 PolarHBondContact O-N 3.14Å; N584-N587 PolarHBondContact O-N 2.82Å; N584-Q588 WeakPolarHBondContact O-CB 3.47Å; N584-Q588 VanDerWaalsContact O-CG 3.28Å; N584-Q588 WeakPolarHBondContact O-CG 3.19Å; N584-Q588 PolarHBondContact O-N 3.36Å
585	L	87.6	Confident	84.2	Confident	4 Å²	4	56.4 Å²	56.4	2%	0.021	30%	0.297	C	S	.	.	H	α-helix	trans	-56.9	-52.7	174.1	-175.7	158	0	0	0	110.6	Y565 F577 Q581 M582 N587 Q588 L589	Y565-L585 HydrophobicContact CD1-CB 4.13Å; Y565-L585 HydrophobicContact CD1-CD1 3.82Å; Y565-L585 HydrophobicContact CD1-CG 4.11Å; Y565-L585 HydrophobicContact CE1-CB 3.75Å; Y565-L585 HydrophobicContact CE1-CD1 4.17Å; Y565-L585 HydrophobicContact CE1-CG 4.26Å; F577-L585 HydrophobicContact CE2-CB 4.38Å; F577-L585 HydrophobicContact CE2-CD1 3.79Å; F577-L585 HydrophobicContact CZ-CD1 4.17Å; Q581-L585 WeakPolarHBondContact O-CB 3.46Å; Q581-L585 PolarHBondContact O-N 2.98Å; M582-L585 PolarHBondContact O-N 3.19Å; L585-N587 PolarHBondContact O-N 2.6Å; L585-Q588 PolarHBondContact O-N 3.32Å; L585-L589 HydrophobicContact CD2-CD1 3.51Å; L585-L589 HydrophobicContact CD2-CG 4.28Å; L585-L589 WeakPolarHBondContact O-CG 3.22Å; L585-L589 PolarHBondContact O-N 3.47Å; L585-L589 VanDerWaalsContact O-N 3.09Å
586	I	87.4	Confident	84.4	Confident	0 Å²	0	56.6 Å²	56.6	0%	0	30%	0.297	C	S	.	.	H	α-helix	trans	-66.9	-38.4	-176.4	-67.4	172.6	0	0	0	112.1	L550 M582 I583 Q588 L589 T590 L596 L601 L604	L550-I586 HydrophobicContact CD2-CG2 4.11Å; M582-I586 HydrophobicContact CE-CD1 4.12Å; M582-I586 HydrophobicContact CG-CD1 3.83Å; M582-I586 HydrophobicContact CG-CG1 4.41Å; M582-I586 WeakPolarHBondContact O-CG1 3.21Å; M582-I586 PolarHBondContact O-N 3.02Å; M582-I586 HydrophobicContact SD-CD1 4.13Å; I583-I586 PolarHBondContact O-N 3.48Å; I586-Q588 VanDerWaalsContact C-N 3.32Å; I586-L589 PolarHBondContact O-N 3.01Å; I586-T590 HydrophobicContact CG2-CG2 4.32Å; I586-T590 PolarHBondContact O-N 2.71Å; I586-T590 PolarHBondContact O-OG1 3.08Å; I586-L596 HydrophobicContact CG2-CD1 3.8Å; I586-L596 HydrophobicContact CG2-CG 4.17Å; I586-L601 HydrophobicContact CB-CD2 4.08Å; I586-L601 HydrophobicContact CD1-CD2 3.76Å; I586-L601 HydrophobicContact CG2-CD2 3.81Å; I586-L604 HydrophobicContact CD1-CD1 3.67Å
587	N	86.3	Confident	84.5	Confident	68 Å²	68	57.8 Å²	57.8	36%	0.364	30%	0.304	S	S	.	.	H	α-helix	trans	-67	-34.7	177	-74.7	-20.1	0	0	0	111.8	I583 N584 L585 L589 G591	I583-N587 VanDerWaalsContact CG2-ND2 3.27Å; I583-N587 WeakPolarHBondContact CG2-ND2 3.45Å; I583-N587 VanDerWaalsContact O-CB 3.28Å; I583-N587 WeakPolarHBondContact O-CB 3.35Å; I583-N587 PolarHBondContact O-N 3.41Å; I583-N587 PolarHBondContact O-ND2 2.94Å; N584-N587 PolarHBondContact O-N 2.82Å; L585-N587 PolarHBondContact O-N 2.6Å; N587-L589 VanDerWaalsContact C-N 3.31Å; N587-G591 PolarHBondContact O-N 3.19Å
588	Q	83	Confident	84.6	Confident	130 Å²	130	61.2 Å²	61.2	61%	0.607	33%	0.325	S	S	*	.	H	α-helix	trans	-65.9	-35.2	172	-75.9	176.8	-2.7	0	0	111.7	N584 L585 I586	N584-Q588 WeakPolarHBondContact O-CB 3.47Å; N584-Q588 VanDerWaalsContact O-CG 3.28Å; N584-Q588 WeakPolarHBondContact O-CG 3.19Å; N584-Q588 PolarHBondContact O-N 3.36Å; L585-Q588 PolarHBondContact O-N 3.32Å; I586-Q588 VanDerWaalsContact C-N 3.32Å
589	L	80.1	Confident	84.9	Confident	22 Å²	22	60.8 Å²	60.8	12%	0.115	32%	0.319	C	S	.	.	H	α-helix	trans	-74.6	-44.4	179.1	-68.1	177.7	0	0	0	114.3	L554 I562 L585 I586 N587	L554-L589 HydrophobicContact CD2-CD1 4.05Å; L554-L589 HydrophobicContact CD2-CD2 3.78Å; L554-L589 HydrophobicContact CD2-CG 4.35Å; I562-L589 HydrophobicContact CD1-CD1 4.09Å; I562-L589 HydrophobicContact CD1-CD2 3.64Å; I562-L589 HydrophobicContact CD1-CG 4.49Å; I562-L589 HydrophobicContact CG1-CD1 4.23Å; I562-L589 HydrophobicContact CG1-CD2 3.59Å; I562-L589 HydrophobicContact CG1-CG 4.41Å; L585-L589 HydrophobicContact CD2-CD1 3.51Å; L585-L589 HydrophobicContact CD2-CG 4.28Å; L585-L589 WeakPolarHBondContact O-CG 3.22Å; L585-L589 PolarHBondContact O-N 3.47Å; L585-L589 VanDerWaalsContact O-N 3.09Å; I586-L589 PolarHBondContact O-N 3.01Å; N587-L589 VanDerWaalsContact C-N 3.31Å
590	T	79.1	Confident	85.2	Confident	9 Å²	9	58.5 Å²	58.5	6%	0.055	31%	0.309	C	S	.	.	H	α-helix	trans	-85.8	-23.5	-171.9	50.3	0	0	0	0	113.5	L550 I553 I586 N594	L550-T590 HydrophobicContact CD2-CG2 3.35Å; I553-T590 HydrophobicContact CD1-CG2 3.94Å; I586-T590 HydrophobicContact CG2-CG2 4.32Å; I586-T590 PolarHBondContact O-N 2.71Å; I586-T590 PolarHBondContact O-OG1 3.08Å; T590-N594 WeakPolarHBondContact CB-O 3.48Å
591	G	77.7	Confident	85.3	Confident	37 Å²	37	53.9 Å²	53.9	38%	0.381	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.2	-178.4	-168.3	0	0	0	0	0	112.3	N587 E593	N587-G591 PolarHBondContact O-N 3.19Å; G591-E593 VanDerWaalsContact C-N 3.35Å; G591-E593 PolarHBondContact O-N 2.94Å
592	K	75.8	Confident	85.4	Confident	205 Å²	205	52 Å²	52	89%	0.891	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70	-29.2	-176.5	-72	-177.3	178.2	177.1	0	113.8
593	E	72.9	Confident	85.5	Confident	186 Å²	186	52.7 Å²	52.7	87%	0.869	29%	0.287	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-35.6	-173.8	-64.9	-174.8	170.8	0	0	112.6	G591	G591-E593 VanDerWaalsContact C-N 3.35Å; G591-E593 PolarHBondContact O-N 2.94Å
594	N	77	Confident	85.6	Confident	75 Å²	75	51 Å²	51	40%	0.401	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.1	23.4	-178.5	-63.2	-39.9	0	0	0	113.2	I553 T590 L596	I553-N594 HydrophobicContact CD1-CB 3.5Å; I553-N594 VanDerWaalsContact CD1-CB 3.5Å; I553-N594 HydrophobicContact CG1-CB 4.29Å; T590-N594 WeakPolarHBondContact CB-O 3.48Å; N594-L596 PolarHBondContact O-N 3.06Å
595	A	81.3	Confident	85.7	Confident	47 Å²	47	47.2 Å²	47.2	39%	0.388	26%	0.258	S	S	.	.	P	Polyproline II helix	trans	-53.4	130.2	-177.3	0	0	0	0	0	111.2
596	L	87.5	Confident	85.8	Confident	11 Å²	11	49.9 Å²	49.9	6%	0.058	27%	0.268	C	S	.	.	P	Polyproline II helix	trans	-70.1	144.6	171.8	-66	-170.8	0	0	0	110.1	I546 K549 L550 I586 N594 E600 L601 L604	I546-L596 HydrophobicContact CG2-CD1 3.59Å; I546-L596 HydrophobicContact CG2-CD2 4.2Å; K549-L596 HydrophobicContact CD-CD2 3.81Å; K549-L596 HydrophobicContact CG-CD2 4.46Å; L550-L596 HydrophobicContact CD1-CD1 4.1Å; L550-L596 HydrophobicContact CD2-CD1 3.95Å; L550-L596 HydrophobicContact CD2-CD2 4.47Å; L550-L596 HydrophobicContact CD2-CG 4.25Å; L550-L596 HydrophobicContact CG-CD1 4.16Å; I586-L596 HydrophobicContact CG2-CD1 3.8Å; I586-L596 HydrophobicContact CG2-CG 4.17Å; N594-L596 PolarHBondContact O-N 3.06Å; L596-E600 VanDerWaalsContact CA-OE2 3.26Å; L596-E600 WeakPolarHBondContact CA-OE2 3.37Å; L596-E600 HydrophobicContact CB-CB 4.06Å; L596-E600 HydrophobicContact CD1-CB 4.44Å; L596-E600 WeakPolarHBondContact CD2-OE2 3.48Å; L596-L601 HydrophobicContact CB-CD2 4.14Å; L596-L601 HydrophobicContact CB-CG 4.03Å; L596-L601 HydrophobicContact CD1-CD2 4.25Å; L596-L604 HydrophobicContact CD1-CD1 3.84Å
597	T	90.8	Very high	85.9	Confident	43 Å²	43	53.6 Å²	53.6	26%	0.264	29%	0.285	S	S	.	.	P	Polyproline II helix	trans	-66.9	157.1	173	63.9	0	0	0	0	110.5	Y506 H599 E600 L601	Y506-T597 HydrophobicContact CE2-CG2 4.27Å; T597-H599 PolarHBondContact O-N 2.9Å; T597-E600 PolarHBondContact N-OE2 3.43Å; T597-E600 WeakPolarHBondContact O-CB 3.45Å; T597-E600 PolarHBondContact O-N 3.34Å; T597-E600 VanDerWaalsContact OG1-CG 3.23Å; T597-E600 WeakPolarHBondContact OG1-CG 3.37Å; T597-E600 PolarHBondContact OG1-N 2.89Å; T597-E600 PolarHBondContact OG1-OE2 2.97Å; T597-L601 PolarHBondContact O-N 3.36Å
598	T	91.5	Very high	86.1	Confident	76 Å²	76	50.6 Å²	50.6	47%	0.466	27%	0.269	S	S	.	.	H	α-helix	trans	-58.6	-31.7	177	42.3	0	0	0	0	112.5	V507 G508 G602	V507-T598 PolarHBondContact O-OG1 2.83Å; G508-T598 WeakPolarHBondContact CA-OG1 3.44Å; G508-T598 PolarHBondContact N-OG1 3.42Å; T598-G602 PolarHBondContact O-N 2.89Å
599	H	93.4	Very high	86.2	Confident	4 Å²	4	45.2 Å²	45.2	2%	0.019	25%	0.248	C	C	.	.	H	α-helix	trans	-68.7	-40.9	173.4	-163.1	87.8	0	0	0	112.5	Y506 V507 M531 Q540 T597 G602 T603	Y506-H599 HydrophobicContact CD2-CB 4.33Å; V507-H599 HydrophobicContact CB-CB 3.98Å; V507-H599 PolarHBondContact N-ND1 3Å; V507-H599 WeakPolarHBondContact O-CB 3.47Å; V507-H599 PolarHBondContact O-N 2.94Å; V507-H599 VanDerWaalsContact O-N 3.08Å; M531-H599 PolarHBondContact SD-CE1 3.44Å; Q540-H599 HydrophobicContact CB-CB 4.2Å; Q540-H599 PolarHBondContact O-CD2 2.88Å; T597-H599 PolarHBondContact O-N 2.9Å; H599-G602 PolarHBondContact O-N 2.89Å; H599-T603 WeakPolarHBondContact O-CB 3.31Å; H599-T603 PolarHBondContact O-N 3.18Å; H599-T603 PolarHBondContact O-OG1 2.96Å
600	E	93.3	Very high	86.3	Confident	21 Å²	21	47.7 Å²	47.7	10%	0.098	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-44.4	176.4	-71.5	171.6	147.3	0	0	110.8	Q540 I546 K549 L596 T597 T603 L604	Q540-E600 HydrophobicContact CB-CG 4.24Å; I546-E600 HydrophobicContact CD1-CB 3.82Å; I546-E600 HydrophobicContact CD1-CG 3.93Å; I546-E600 HydrophobicContact CG1-CB 4.02Å; I546-E600 HydrophobicContact CG1-CG 3.82Å; I546-E600 HydrophobicContact CG2-CB 4.35Å; K549-E600 IonicContact NZ-OE1 2.78Å; K549-E600 PolarHBondContact NZ-OE1 3.02Å; K549-E600 IonicContact NZ-OE2 3.65Å; K549-E600 PolarHBondContact NZ-OE2 3.17Å; L596-E600 VanDerWaalsContact CA-OE2 3.26Å; L596-E600 WeakPolarHBondContact CA-OE2 3.37Å; L596-E600 HydrophobicContact CB-CB 4.06Å; L596-E600 HydrophobicContact CD1-CB 4.44Å; L596-E600 WeakPolarHBondContact CD2-OE2 3.48Å; T597-E600 PolarHBondContact N-OE2 3.43Å; T597-E600 WeakPolarHBondContact O-CB 3.45Å; T597-E600 PolarHBondContact O-N 3.34Å; T597-E600 VanDerWaalsContact OG1-CG 3.23Å; T597-E600 WeakPolarHBondContact OG1-CG 3.37Å; T597-E600 PolarHBondContact OG1-N 2.89Å; T597-E600 PolarHBondContact OG1-OE2 2.97Å; E600-T603 WeakPolarHBondContact O-CB 3.48Å; E600-T603 PolarHBondContact O-N 3.43Å; E600-L604 PolarHBondContact O-N 3.19Å
601	L	91.5	Very high	85.9	Confident	12 Å²	12	56.8 Å²	56.8	6%	0.063	30%	0.297	C	S	.	.	H	α-helix	trans	-60.6	-46.5	174.9	-68.9	168.8	0	0	0	111.8	M582 I583 I586 L596 T597 T603 L604 A605	M582-L601 WeakPolarHBondContact CE-O 3.41Å; I583-L601 HydrophobicContact CG1-CD1 4.35Å; I583-L601 HydrophobicContact CG2-CD1 4.43Å; I586-L601 HydrophobicContact CB-CD2 4.08Å; I586-L601 HydrophobicContact CD1-CD2 3.76Å; I586-L601 HydrophobicContact CG2-CD2 3.81Å; L596-L601 HydrophobicContact CB-CD2 4.14Å; L596-L601 HydrophobicContact CB-CG 4.03Å; L596-L601 HydrophobicContact CD1-CD2 4.25Å; T597-L601 PolarHBondContact O-N 3.36Å; L601-T603 VanDerWaalsContact C-N 3.3Å; L601-T603 PolarHBondContact O-N 3.23Å; L601-L604 PolarHBondContact O-N 3.46Å; L601-A605 PolarHBondContact O-N 3.29Å
602	G	90.5	Very high	85.1	Confident	24 Å²	24	60 Å²	60	25%	0.247	31%	0.312	C	S	.	.	H	α-helix	trans	-62.1	-36.7	175.6	0	0	0	0	0	112.9	T598 H599 A605 R606	T598-G602 PolarHBondContact O-N 2.89Å; H599-G602 PolarHBondContact O-N 2.89Å; G602-A605 PolarHBondContact O-N 3.41Å; G602-R606 WeakPolarHBondContact O-CB 3.48Å; G602-R606 WeakPolarHBondContact O-CG 3.39Å; G602-R606 PolarHBondContact O-N 3.36Å
603	T	92.2	Very high	84	Confident	15 Å²	15	54.9 Å²	54.9	9%	0.092	30%	0.301	C	S	.	.	H	α-helix	trans	-65.4	-45.5	177.1	-57.4	0	0	0	0	111.5	Q540 A541 I546 H599 E600 L601 R606 H607	Q540-T603 PolarHBondContact O-OG1 3.19Å; A541-T603 WeakPolarHBondContact O-CG2 3.27Å; I546-T603 HydrophobicContact CD1-CG2 4.09Å; H599-T603 WeakPolarHBondContact O-CB 3.31Å; H599-T603 PolarHBondContact O-N 3.18Å; H599-T603 PolarHBondContact O-OG1 2.96Å; E600-T603 WeakPolarHBondContact O-CB 3.48Å; E600-T603 PolarHBondContact O-N 3.43Å; L601-T603 VanDerWaalsContact C-N 3.3Å; L601-T603 PolarHBondContact O-N 3.23Å; T603-R606 PolarHBondContact O-N 3.01Å; T603-H607 WeakPolarHBondContact O-CB 3.4Å; T603-H607 PolarHBondContact O-N 3.36Å
604	L	91	Very high	83.2	Confident	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-60.8	-47.1	175	-75.9	174.9	0	0	0	111.5	I546 L547 L550 M582 I586 L596 E600 L601 R606 H607 Y608	I546-L604 HydrophobicContact CB-CD2 4.44Å; I546-L604 HydrophobicContact CG2-CD1 3.58Å; I546-L604 HydrophobicContact CG2-CD2 4Å; I546-L604 HydrophobicContact CG2-CG 3.76Å; L547-L604 HydrophobicContact CD2-CD2 4.07Å; L547-L604 HydrophobicContact CG-CD2 4.27Å; L550-L604 HydrophobicContact CD1-CD1 3.87Å; M582-L604 HydrophobicContact CE-CB 4.45Å; M582-L604 HydrophobicContact SD-CB 4.33Å; I586-L604 HydrophobicContact CD1-CD1 3.67Å; L596-L604 HydrophobicContact CD1-CD1 3.84Å; E600-L604 PolarHBondContact O-N 3.19Å; L601-L604 PolarHBondContact O-N 3.46Å; L604-R606 VanDerWaalsContact C-N 3.34Å; L604-R606 PolarHBondContact O-N 3.36Å; L604-H607 WeakPolarHBondContact O-CB 3.36Å; L604-H607 PolarHBondContact O-N 2.84Å; L604-H607 VanDerWaalsContact O-N 3.08Å; L604-Y608 HydrophobicContact CD2-CE2 4.12Å; L604-Y608 WeakPolarHBondContact O-CD2 3.42Å; L604-Y608 PolarHBondContact O-N 3.46Å
605	A	90.4	Very high	82.2	Confident	2 Å²	2	58 Å²	58	2%	0.017	31%	0.311	C	S	.	.	H	α-helix	trans	-59.5	-44.6	177.3	0	0	0	0	0	111.9	F579 M582 L601 G602 H607 Y608 G609 V745 I748	F579-A605 HydrophobicContact CD2-CB 3.38Å; F579-A605 HydrophobicContact CE2-CB 3.36Å; M582-A605 HydrophobicContact CE-CB 3.77Å; M582-A605 HydrophobicContact SD-CB 4.26Å; L601-A605 PolarHBondContact O-N 3.29Å; G602-A605 PolarHBondContact O-N 3.41Å; A605-H607 PolarHBondContact O-N 3.08Å; A605-Y608 PolarHBondContact O-N 2.74Å; A605-G609 VanDerWaalsContact O-CA 3.28Å; A605-G609 WeakPolarHBondContact O-CA 3.45Å; A605-G609 PolarHBondContact O-N 3.23Å; A605-V745 HydrophobicContact CB-CB 4.27Å; A605-V745 HydrophobicContact CB-CG1 4.38Å; A605-V745 HydrophobicContact CB-CG2 4.27Å; A605-V745 WeakPolarHBondContact O-CG1 3.36Å; A605-I748 HydrophobicContact CB-CD1 3.78Å
606	R	88.7	Confident	81.2	Confident	60 Å²	60	57.9 Å²	57.9	23%	0.226	30%	0.303	C	S	.	.	H	α-helix	trans	-64.9	-27.9	176.7	-75.2	177	78.1	102.3	-5.7	112.9	D525 L528 D529 G602 T603 L604 V745	D525-R606 IonicContact OD1-CZ 2.97Å; D525-R606 IonicContact OD1-NH1 3.52Å; D525-R606 PolarHBondContact OD1-NH1 2.89Å; D525-R606 IonicContact OD1-NH2 2.8Å; D525-R606 PolarHBondContact OD1-NH2 3.32Å; L528-R606 VanDerWaalsContact CD1-NH1 3.27Å; D529-R606 IonicContact OD1-CZ 3.56Å; D529-R606 IonicContact OD1-NH2 3.57Å; D529-R606 PolarHBondContact OD1-NH2 2.95Å; G602-R606 WeakPolarHBondContact O-CB 3.48Å; G602-R606 WeakPolarHBondContact O-CG 3.39Å; G602-R606 PolarHBondContact O-N 3.36Å; T603-R606 PolarHBondContact O-N 3.01Å; L604-R606 VanDerWaalsContact C-N 3.34Å; L604-R606 PolarHBondContact O-N 3.36Å; R606-V745 HydrophobicContact CG-CG2 4.05Å
607	H	89.9	Confident	80.3	Confident	79 Å²	79	65.3 Å²	65.3	37%	0.366	33%	0.331	S	S	.	.	H	α-helix	trans	-74.8	-46.5	178.5	-170.8	-89.8	0	0	0	112.2	C543 T603 L604 A605	C543-H607 VanDerWaalsContact SG-CG 3.52Å; T603-H607 WeakPolarHBondContact O-CB 3.4Å; T603-H607 PolarHBondContact O-N 3.36Å; L604-H607 WeakPolarHBondContact O-CB 3.36Å; L604-H607 PolarHBondContact O-N 2.84Å; L604-H607 VanDerWaalsContact O-N 3.08Å; A605-H607 PolarHBondContact O-N 3.08Å
608	Y	90.2	Very high	79.7	Confident	4 Å²	4	66.1 Å²	66.1	2%	0.016	33%	0.333	C	S	.	.	H	α-helix	trans	-95.7	4.2	-177.9	-64.3	-74.5	0	0	0	114	L547 L604 A605 V610 N749 Q752 L753 D756	L547-Y608 WeakPolarHBondContact CD1-OH 3.48Å; L547-Y608 HydrophobicContact CD2-CE2 4.37Å; L604-Y608 HydrophobicContact CD2-CE2 4.12Å; L604-Y608 WeakPolarHBondContact O-CD2 3.42Å; L604-Y608 PolarHBondContact O-N 3.46Å; A605-Y608 PolarHBondContact O-N 2.74Å; Y608-V610 PolarHBondContact O-N 3.21Å; Y608-N749 PolarHBondContact O-N 3.34Å; Y608-Q752 HydrophobicContact CD1-CB 4.14Å; Y608-Q752 HydrophobicContact CD1-CG 4.13Å; Y608-Q752 HydrophobicContact CE1-CB 4.36Å; Y608-Q752 HydrophobicContact CE1-CG 3.99Å; Y608-L753 HydrophobicContact CD1-CB 4.1Å; Y608-L753 HydrophobicContact CD2-CB 4.13Å; Y608-L753 HydrophobicContact CD2-CD1 3.55Å; Y608-L753 HydrophobicContact CD2-CG 4.36Å; Y608-L753 HydrophobicContact CE1-CB 4.3Å; Y608-L753 HydrophobicContact CE2-CB 4.34Å; Y608-L753 HydrophobicContact CE2-CD1 3.34Å; Y608-L753 HydrophobicContact CE2-CG 4.42Å; Y608-L753 HydrophobicContact CG-CB 4Å; Y608-L753 HydrophobicContact CG-CD1 4.3Å; Y608-D756 WeakPolarHBondContact CE1-OD2 3.44Å; Y608-D756 VanDerWaalsContact OH-CB 3.3Å; Y608-D756 WeakPolarHBondContact OH-CB 3.47Å; Y608-D756 PolarHBondContact OH-OD2 3.37Å
609	G	86	Confident	79.1	Confident	17 Å²	17	67.5 Å²	67.5	18%	0.175	33%	0.334	C	S	.	.	B	Isolated β-bridge	trans	-67.2	128.3	-179	0	0	0	0	0	112.5	A605 R611 V745 R747	A605-G609 VanDerWaalsContact O-CA 3.28Å; A605-G609 WeakPolarHBondContact O-CA 3.45Å; A605-G609 PolarHBondContact O-N 3.23Å; G609-R611 PolarHBondContact O-N 3.19Å; G609-V745 VanDerWaalsContact CA-CG1 3.48Å; G609-R747 WeakPolarHBondContact CA-O 3.24Å
610	V	81.4	Confident	78.3	Confident	74 Å²	74	68.7 Å²	68.7	45%	0.448	34%	0.34	S	S	.	.	P	Polyproline II helix	trans	-73.9	123.1	174.7	-180	0	0	0	0	108.8	T576 Y608 R747 N749	T576-V610 HydrophobicContact CG2-CG2 3.68Å; Y608-V610 PolarHBondContact O-N 3.21Å; V610-R747 HydrophobicContact CB-CB 4.4Å; V610-R747 PolarHBondContact N-O 2.95Å; V610-N749 HydrophobicContact CG2-CB 4.03Å
611	R	70.2	Confident	77.6	Confident	201 Å²	201	67.7 Å²	67.7	76%	0.758	34%	0.336	S	S	*	.	P	Polyproline II helix	trans	-95	120.2	177.7	-63.3	-179.8	-178.1	-167.8	-4.7	108.8	G609 S613	G609-R611 PolarHBondContact O-N 3.19Å; R611-S613 PolarHBondContact O-N 3.14Å
612	P	61.2	Low	77.3	Confident	105 Å²	105	67.5 Å²	67.5	68%	0.682	34%	0.335	S	S	*	.	P	Polyproline II helix	trans	-61.9	138.6	172.4	25	-31.6	0	0	0	109.9	K614	P612-K614 PolarHBondContact O-N 3.47Å
613	S	54.3	Low	76.9	Confident	96 Å²	96	66.6 Å²	66.6	67%	0.671	33%	0.325	S	S	*	.	P	Polyproline II helix	trans	-62.1	125.4	175.9	55.4	0	0	0	0	110	R611 Q615	R611-S613 PolarHBondContact O-N 3.14Å; S613-Q615 PolarHBondContact O-N 3.24Å
614	K	55.1	Low	76.4	Confident	165 Å²	165	65.9 Å²	65.9	72%	0.717	32%	0.321	S	S	*	.			trans	-74.8	50.4	178.8	-62.5	-177.6	176.6	-174.9	0	112.7	P612 I616	P612-K614 PolarHBondContact O-N 3.47Å; K614-I616 PolarHBondContact O-N 3.46Å
615	Q	54.9	Low	76.2	Confident	163 Å²	163	65.9 Å²	65.9	76%	0.762	32%	0.321	S	S	*	.			trans	-80.9	114.3	174.7	-81.7	177.8	-13.4	0	0	109.5	S613 R617	S613-Q615 PolarHBondContact O-N 3.24Å; Q615-R617 PolarHBondContact O-N 2.72Å
616	I	62.1	Low	76.1	Confident	43 Å²	43	66.4 Å²	66.4	22%	0.221	32%	0.323	C	S	.	.			trans	-64.9	120	170.5	-64.2	163.4	0	0	0	107.2	K614 L618 L621 I721 I737	K614-I616 PolarHBondContact O-N 3.46Å; I616-L618 PolarHBondContact O-N 2.97Å; I616-L621 HydrophobicContact CG2-CB 4.18Å; I616-L621 HydrophobicContact CG2-CD2 4.29Å; I616-I721 HydrophobicContact CD1-CG2 3.72Å; I616-I721 HydrophobicContact CG1-CG2 4.49Å; I616-I737 HydrophobicContact CG2-CG2 3.89Å
617	R	68.7	Low	75.8	Confident	168 Å²	168	65.2 Å²	65.2	63%	0.634	32%	0.32	S	S	*	.			trans	-69.8	116	173.8	-70.6	-174.6	175.4	-176.6	-0.8	109	Q615 E619 I620 L621	Q615-R617 PolarHBondContact O-N 2.72Å; R617-E619 PolarHBondContact O-N 2.68Å; R617-E619 VanDerWaalsContact O-N 3.17Å; R617-I620 HydrophobicContact CB-CD1 4.04Å; R617-I620 HydrophobicContact CB-CG1 4.1Å; R617-I620 PolarHBondContact O-N 2.88Å; R617-L621 PolarHBondContact O-N 2.97Å
618	L	77.9	Confident	75.7	Confident	60 Å²	60	62.2 Å²	62.2	31%	0.314	31%	0.307	S	S	.	.	H	α-helix	trans	-48.6	-43.2	178.4	175.7	80	0	0	0	111.1	I616 I620 L621 L622 C682	I616-L618 PolarHBondContact O-N 2.97Å; L618-I620 PolarHBondContact O-N 3.48Å; L618-L621 PolarHBondContact O-N 2.99Å; L618-L622 HydrophobicContact CD1-CD1 4.49Å; L618-L622 HydrophobicContact CG-CD1 4.36Å; L618-L622 WeakPolarHBondContact O-CB 3.38Å; L618-L622 PolarHBondContact O-N 3.41Å; L618-C682 HydrophobicContact CB-CB 4.5Å; L618-C682 HydrophobicContact CD1-CB 3.31Å; L618-C682 HydrophobicContact CG-CB 4.42Å
619	E	77.4	Confident	75.6	Confident	105 Å²	105	62 Å²	62	49%	0.491	31%	0.306	S	S	.	.	H	α-helix	trans	-60.2	-42.8	-175.8	-63.2	-177.5	-157.1	0	0	113.1	R617 L622 G623 E708	R617-E619 PolarHBondContact O-N 2.68Å; R617-E619 VanDerWaalsContact O-N 3.17Å; E619-L622 PolarHBondContact O-N 3.15Å; E619-G623 PolarHBondContact O-N 2.83Å; E619-E708 HydrophobicContact CB-CG 4.36Å; E619-E708 VanDerWaalsContact CB-OE2 3.31Å; E619-E708 WeakPolarHBondContact CB-OE2 3.44Å; E619-E708 WeakPolarHBondContact OE2-CG 3.26Å
620	I	76.6	Confident	75.7	Confident	29 Å²	29	69.5 Å²	69.5	15%	0.149	33%	0.329	C	S	.	.	H	α-helix	trans	-66	-47.2	176.4	-60.1	177.9	0	0	0	110.1	R617 L618 L622 G623 I624 I737	R617-I620 HydrophobicContact CB-CD1 4.04Å; R617-I620 HydrophobicContact CB-CG1 4.1Å; R617-I620 PolarHBondContact O-N 2.88Å; L618-I620 PolarHBondContact O-N 3.48Å; I620-L622 VanDerWaalsContact C-N 3.29Å; I620-L622 PolarHBondContact O-N 3.42Å; I620-G623 PolarHBondContact O-N 2.91Å; I620-I624 HydrophobicContact CG2-CD1 3.93Å; I620-I624 WeakPolarHBondContact O-CB 2.87Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.43Å; I620-I624 PolarHBondContact O-N 3.21Å; I620-I737 HydrophobicContact CG2-CD1 4.27Å; I620-I737 HydrophobicContact CG2-CG1 4.21Å; I620-I737 HydrophobicContact CG2-CG2 4.3Å
621	L	79.8	Confident	75.9	Confident	0 Å²	0	72.1 Å²	72.1	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-60.8	-41.5	179.9	-174.4	67.4	0	0	0	111.3	I616 R617 L618 I624 A625 M675 L679 I721	I616-L621 HydrophobicContact CG2-CB 4.18Å; I616-L621 HydrophobicContact CG2-CD2 4.29Å; R617-L621 PolarHBondContact O-N 2.97Å; L618-L621 PolarHBondContact O-N 2.99Å; L621-I624 PolarHBondContact O-N 2.93Å; L621-A625 WeakPolarHBondContact O-CB 3.4Å; L621-A625 PolarHBondContact O-N 3.45Å; L621-M675 HydrophobicContact CD1-CG 4.02Å; L621-L679 HydrophobicContact CB-CD2 4.27Å; L621-L679 HydrophobicContact CD2-CB 4.48Å; L621-L679 HydrophobicContact CD2-CD2 3.74Å; L621-L679 HydrophobicContact CD2-CG 3.79Å; L621-L679 HydrophobicContact CG-CD2 3.68Å; L621-L679 HydrophobicContact CG-CG 3.91Å; L621-I721 HydrophobicContact CD1-CD1 4.38Å; L621-I721 HydrophobicContact CD1-CG1 4.4Å; L621-I721 HydrophobicContact CD1-CG2 4.38Å
622	L	85.4	Confident	76.8	Confident	8 Å²	8	68.6 Å²	68.6	4%	0.042	32%	0.321	C	S	.	.	H	α-helix	trans	-69.3	-44.6	-178.4	-155.2	148.8	0	0	0	111.5	L618 E619 I620 I624 A625 Q626 L679 Q698 F704 T706	L618-L622 HydrophobicContact CD1-CD1 4.49Å; L618-L622 HydrophobicContact CG-CD1 4.36Å; L618-L622 WeakPolarHBondContact O-CB 3.38Å; L618-L622 PolarHBondContact O-N 3.41Å; E619-L622 PolarHBondContact O-N 3.15Å; I620-L622 VanDerWaalsContact C-N 3.29Å; I620-L622 PolarHBondContact O-N 3.42Å; L622-I624 VanDerWaalsContact C-N 3.31Å; L622-I624 PolarHBondContact O-N 3.05Å; L622-A625 WeakPolarHBondContact O-CB 3.21Å; L622-A625 PolarHBondContact O-N 3.49Å; L622-Q626 HydrophobicContact CD2-CG 4.17Å; L622-Q626 WeakPolarHBondContact O-CG 3.37Å; L622-Q626 PolarHBondContact O-N 2.83Å; L622-L679 HydrophobicContact CB-CD2 4.23Å; L622-L679 HydrophobicContact CG-CD2 4.41Å; L622-Q698 HydrophobicContact CD1-CB 3.89Å; L622-Q698 HydrophobicContact CD1-CG 4.38Å; L622-Q698 HydrophobicContact CD2-CB 4.17Å; L622-Q698 WeakPolarHBondContact CD2-O 3.44Å; L622-Q698 HydrophobicContact CG-CB 4.49Å; L622-F704 HydrophobicContact CD2-CD1 4.25Å; L622-F704 HydrophobicContact CD2-CE1 4.2Å; L622-T706 HydrophobicContact CB-CG2 4.46Å; L622-T706 HydrophobicContact CD2-CG2 3.62Å
623	G	82.2	Confident	78.1	Confident	4 Å²	4	66.8 Å²	66.8	4%	0.041	32%	0.315	C	S	.	.	H	α-helix	trans	-68.3	-30.6	177.4	0	0	0	0	0	113.1	E619 I620 Q626 Q627 T706	E619-G623 PolarHBondContact O-N 2.83Å; I620-G623 PolarHBondContact O-N 2.91Å; G623-Q626 PolarHBondContact O-N 2.85Å; G623-Q627 WeakPolarHBondContact O-CB 3.48Å; G623-Q627 PolarHBondContact O-N 3.41Å; G623-T706 WeakPolarHBondContact CA-OG1 3.39Å
624	I	80.9	Confident	79.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.005	29%	0.288	C	S	.	.	H	α-helix	trans	-66.7	-43.3	170.5	-73.6	172	0	0	0	111.3	I620 L621 L622 Q626 Q627 T628 M675 L709 F715 W725 I737	I620-I624 HydrophobicContact CG2-CD1 3.93Å; I620-I624 WeakPolarHBondContact O-CB 2.87Å; I620-I624 VanDerWaalsContact O-CG1 3.29Å; I620-I624 WeakPolarHBondContact O-CG1 3.43Å; I620-I624 PolarHBondContact O-N 3.21Å; L621-I624 PolarHBondContact O-N 2.93Å; L622-I624 VanDerWaalsContact C-N 3.31Å; L622-I624 PolarHBondContact O-N 3.05Å; I624-Q626 VanDerWaalsContact C-N 3.31Å; I624-Q626 PolarHBondContact O-N 3.34Å; I624-Q627 PolarHBondContact O-N 3.42Å; I624-T628 WeakPolarHBondContact O-CG2 3.38Å; I624-T628 PolarHBondContact O-N 2.84Å; I624-T628 PolarHBondContact O-OG1 2.92Å; I624-M675 HydrophobicContact CG2-CE 4.07Å; I624-M675 HydrophobicContact CG2-SD 4.28Å; I624-L709 HydrophobicContact CG1-CD1 4.4Å; I624-F715 HydrophobicContact CD1-CB 4.2Å; I624-F715 HydrophobicContact CG1-CB 4.38Å; I624-W725 HydrophobicContact CB-CZ3 4.42Å; I624-W725 HydrophobicContact CD1-CD2 4.43Å; I624-W725 HydrophobicContact CD1-CE3 4.13Å; I624-W725 HydrophobicContact CD1-CH2 4.27Å; I624-W725 HydrophobicContact CD1-CZ3 4.07Å; I624-W725 HydrophobicContact CG2-CE3 4.15Å; I624-W725 HydrophobicContact CG2-CH2 3.34Å; I624-W725 HydrophobicContact CG2-CZ2 4.43Å; I624-W725 HydrophobicContact CG2-CZ3 3.17Å; I624-I737 HydrophobicContact CD1-CD1 3.26Å; I624-I737 HydrophobicContact CD1-CG1 4.18Å
625	A	86.4	Confident	81.4	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-59.3	-44.7	174.4	0	0	0	0	0	110.9	L621 L622 Q627 T628 L629 L671 M675 L679 L699	L621-A625 WeakPolarHBondContact O-CB 3.4Å; L621-A625 PolarHBondContact O-N 3.45Å; L622-A625 WeakPolarHBondContact O-CB 3.21Å; L622-A625 PolarHBondContact O-N 3.49Å; A625-Q627 PolarHBondContact O-N 3.11Å; A625-T628 WeakPolarHBondContact CA-OG1 3.44Å; A625-T628 PolarHBondContact O-N 2.9Å; A625-T628 PolarHBondContact O-OG1 2.66Å; A625-L629 WeakPolarHBondContact O-CB 3.29Å; A625-L629 VanDerWaalsContact O-CG 3.23Å; A625-L629 WeakPolarHBondContact O-CG 3.11Å; A625-L629 PolarHBondContact O-N 2.97Å; A625-L671 HydrophobicContact CB-CD1 4.15Å; A625-L671 HydrophobicContact CB-CD2 4Å; A625-M675 HydrophobicContact CB-SD 3.82Å; A625-L679 HydrophobicContact CB-CD1 3.64Å; A625-L699 HydrophobicContact CB-CD2 4.22Å
626	Q	88.1	Confident	83.1	Confident	13 Å²	13	56.3 Å²	56.3	6%	0.061	26%	0.26	C	S	.	.	H	α-helix	trans	-59.4	-42.7	173	-71.7	-178.3	-22.4	0	0	112.6	L622 G623 I624 L629 R630 Q698 W701 F704 T706	L622-Q626 HydrophobicContact CD2-CG 4.17Å; L622-Q626 WeakPolarHBondContact O-CG 3.37Å; L622-Q626 PolarHBondContact O-N 2.83Å; G623-Q626 PolarHBondContact O-N 2.85Å; I624-Q626 VanDerWaalsContact C-N 3.31Å; I624-Q626 PolarHBondContact O-N 3.34Å; Q626-L629 PolarHBondContact O-N 3.04Å; Q626-R630 VanDerWaalsContact O-CB 3.26Å; Q626-R630 WeakPolarHBondContact O-CB 3.34Å; Q626-R630 PolarHBondContact O-N 2.88Å; Q626-Q698 PolarHBondContact NE2-O 2.99Å; Q626-W701 HydrophobicContact CB-CB 3.87Å; Q626-W701 HydrophobicContact CG-CB 4.14Å; Q626-F704 PolarHBondContact NE2-O 3.19Å; Q626-T706 PolarHBondContact OE1-OG1 3.42Å
627	Q	84.1	Confident	84.5	Confident	35 Å²	35	54.7 Å²	54.7	16%	0.164	25%	0.252	C	S	.	.	H	α-helix	trans	-64.5	-42.1	177.6	-173.3	-176.4	-35.2	0	0	111.9	G623 I624 A625 R630 R631 F715	G623-Q627 WeakPolarHBondContact O-CB 3.48Å; G623-Q627 PolarHBondContact O-N 3.41Å; I624-Q627 PolarHBondContact O-N 3.42Å; A625-Q627 PolarHBondContact O-N 3.11Å; Q627-R630 PolarHBondContact O-N 3.49Å; Q627-R631 WeakPolarHBondContact O-CB 3.31Å; Q627-R631 VanDerWaalsContact O-CG 3.31Å; Q627-R631 WeakPolarHBondContact O-CG 3.48Å; Q627-R631 PolarHBondContact O-N 3.49Å; Q627-F715 PolarHBondContact NE2-O 3.14Å
628	T	86.2	Confident	85.5	Confident	16 Å²	16	50.7 Å²	50.7	10%	0.098	25%	0.249	C	C	.	.	H	α-helix	trans	-67	-40.7	176.7	56.1	0	0	0	0	112	I624 A625 R631 K632 L671 M675	I624-T628 WeakPolarHBondContact O-CG2 3.38Å; I624-T628 PolarHBondContact O-N 2.84Å; I624-T628 PolarHBondContact O-OG1 2.92Å; A625-T628 WeakPolarHBondContact CA-OG1 3.44Å; A625-T628 PolarHBondContact O-N 2.9Å; A625-T628 PolarHBondContact O-OG1 2.66Å; T628-R631 PolarHBondContact O-N 2.88Å; T628-K632 PolarHBondContact O-N 3.21Å; T628-L671 WeakPolarHBondContact OG1-CD2 3.28Å; T628-M675 HydrophobicContact CG2-CE 4.45Å
629	L	89.4	Confident	86.1	Confident	0 Å²	0	49.7 Å²	49.7	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-62.9	-42.2	173.4	-68.9	172.1	0	0	0	111.8	A625 Q626 K632 A633 F634 F637 L669 P670 L671 L699	A625-L629 WeakPolarHBondContact O-CB 3.29Å; A625-L629 VanDerWaalsContact O-CG 3.23Å; A625-L629 WeakPolarHBondContact O-CG 3.11Å; A625-L629 PolarHBondContact O-N 2.97Å; Q626-L629 PolarHBondContact O-N 3.04Å; L629-K632 CarbonylContact O-C 3.56Å; L629-K632 PolarHBondContact O-N 2.81Å; L629-A633 PolarHBondContact O-N 3.15Å; L629-A633 VanDerWaalsContact O-N 3.09Å; L629-F634 HydrophobicContact CD2-CB 3.89Å; L629-F634 HydrophobicContact CD2-CD1 3.99Å; L629-F634 HydrophobicContact CD2-CG 4.07Å; L629-F634 PolarHBondContact O-N 3.35Å; L629-F637 HydrophobicContact CD1-CE1 4.07Å; L629-F637 HydrophobicContact CD1-CZ 4.03Å; L629-L669 HydrophobicContact CD1-CD1 4.39Å; L629-L669 HydrophobicContact CD2-CD1 3.53Å; L629-L669 HydrophobicContact CD2-CG 4.21Å; L629-P670 HydrophobicContact CD2-CG 3.97Å; L629-L671 HydrophobicContact CD1-CD1 4.37Å; L629-L671 HydrophobicContact CD1-CD2 4.43Å; L629-L671 HydrophobicContact CD2-CD2 4.07Å; L629-L671 HydrophobicContact CD2-CG 3.98Å; L629-L671 HydrophobicContact CG-CD2 3.87Å; L629-L671 HydrophobicContact CG-CG 4.2Å; L629-L699 HydrophobicContact CD1-CB 4.27Å; L629-L699 HydrophobicContact CD1-CD2 4.2Å
630	R	87.9	Confident	86.8	Confident	174 Å²	174	44.8 Å²	44.8	66%	0.657	23%	0.225	S	C	*	.	H	α-helix	trans	-63.4	-43.3	175.1	-175.4	176.8	176.3	-178	0.5	112	Q626 Q627 K632 A633 W701	Q626-R630 VanDerWaalsContact O-CB 3.26Å; Q626-R630 WeakPolarHBondContact O-CB 3.34Å; Q626-R630 PolarHBondContact O-N 2.88Å; Q627-R630 PolarHBondContact O-N 3.49Å; R630-K632 PolarHBondContact O-N 3.32Å; R630-A633 PolarHBondContact O-N 3.07Å; R630-W701 HydrophobicContact CB-CD2 3.86Å; R630-W701 HydrophobicContact CB-CE3 4.18Å; R630-W701 HydrophobicContact CB-CG 4.08Å; R630-W701 HydrophobicContact CG-CD2 4.08Å; R630-W701 HydrophobicContact CG-CE3 3.9Å; R630-W701 HydrophobicContact CG-CH2 4.31Å; R630-W701 HydrophobicContact CG-CZ2 4.47Å; R630-W701 HydrophobicContact CG-CZ3 4.02Å
631	R	86	Confident	87.5	Confident	129 Å²	129	45.1 Å²	45.1	49%	0.487	23%	0.226	S	C	.	.	H	α-helix	trans	-64	-38	177.5	-79.6	177	173.9	-148.2	-11.4	113	Q627 T628 A633 D716	Q627-R631 WeakPolarHBondContact O-CB 3.31Å; Q627-R631 VanDerWaalsContact O-CG 3.31Å; Q627-R631 WeakPolarHBondContact O-CG 3.48Å; Q627-R631 PolarHBondContact O-N 3.49Å; T628-R631 PolarHBondContact O-N 2.88Å; R631-A633 VanDerWaalsContact C-N 3.26Å; R631-D716 IonicContact CZ-OD1 2.62Å; R631-D716 IonicContact CZ-OD2 3.01Å; R631-D716 IonicContact NH1-OD1 2.75Å; R631-D716 PolarHBondContact NH1-OD1 2.58Å; R631-D716 IonicContact NH1-OD2 3.78Å; R631-D716 PolarHBondContact NH1-OD2 3.45Å
632	K	88	Confident	88.1	Confident	126 Å²	126	48.6 Å²	48.6	55%	0.548	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.9	7.3	178.1	-65	-173.5	-177.9	174.5	0	113.3	T628 L629 R630 F634 P670	T628-K632 PolarHBondContact O-N 3.21Å; L629-K632 CarbonylContact O-C 3.56Å; L629-K632 PolarHBondContact O-N 2.81Å; R630-K632 PolarHBondContact O-N 3.32Å; K632-F634 PolarHBondContact O-N 3.15Å; K632-P670 HydrophobicContact CB-CB 4.32Å; K632-P670 HydrophobicContact CB-CG 3.89Å; K632-P670 HydrophobicContact CD-CB 3.45Å; K632-P670 VanDerWaalsContact CD-CB 3.45Å; K632-P670 HydrophobicContact CD-CG 3.86Å; K632-P670 PolarHBondContact NZ-O 3.21Å
633	A	88.7	Confident	88.5	Confident	68 Å²	68	48.9 Å²	48.9	56%	0.562	25%	0.251	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.3	37.4	-179.9	0	0	0	0	0	113.5	L629 R630 R631 E635	L629-A633 PolarHBondContact O-N 3.15Å; L629-A633 VanDerWaalsContact O-N 3.09Å; R630-A633 PolarHBondContact O-N 3.07Å; R631-A633 VanDerWaalsContact C-N 3.26Å; A633-E635 PolarHBondContact O-N 3.1Å
634	F	90.7	Very high	88.9	Confident	22 Å²	22	48.7 Å²	48.7	10%	0.096	25%	0.249	C	C	.	.			trans	-79.6	116.6	175.4	-173.3	-89.4	0	0	0	109.8	L629 K632 D636 F637 L640 L669 P670 W701	L629-F634 HydrophobicContact CD2-CB 3.89Å; L629-F634 HydrophobicContact CD2-CD1 3.99Å; L629-F634 HydrophobicContact CD2-CG 4.07Å; L629-F634 PolarHBondContact O-N 3.35Å; K632-F634 PolarHBondContact O-N 3.15Å; F634-D636 HydrophobicContact CE2-CB 4.47Å; F634-D636 HydrophobicContact CZ-CB 4.23Å; F634-F637 HydrophobicContact CD1-CD1 4.44Å; F634-F637 AromaticContact CD1-CE1 3.95Å; F634-F637 HydrophobicContact CD1-CE1 3.95Å; F634-F637 HydrophobicContact CD1-CE2 4.33Å; F634-F637 AromaticContact CD1-CZ 3.89Å; F634-F637 HydrophobicContact CD1-CZ 3.89Å; F634-F637 HydrophobicContact CE1-CD1 4.1Å; F634-F637 HydrophobicContact CE1-CE1 4.01Å; F634-F637 HydrophobicContact CE1-CZ 4.36Å; F634-F637 WeakPolarHBondContact O-CE2 3.3Å; F634-L640 HydrophobicContact CE1-CD1 3.54Å; F634-L640 HydrophobicContact CZ-CD1 3.57Å; F634-L640 HydrophobicContact CZ-CG 4.28Å; F634-L669 HydrophobicContact CD1-CD1 3.77Å; F634-L669 HydrophobicContact CE1-CD1 3.51Å; F634-L669 HydrophobicContact CE2-CD1 4.45Å; F634-L669 HydrophobicContact CG-CD1 4.36Å; F634-L669 HydrophobicContact CZ-CD1 3.88Å; F634-P670 HydrophobicContact CB-CG 3.74Å; F634-P670 HydrophobicContact CD2-CG 4.08Å; F634-P670 HydrophobicContact CG-CG 4.11Å; F634-W701 PolarHBondContact O-NE1 3.45Å
635	E	88.4	Confident	89.4	Confident	102 Å²	102	55.7 Å²	55.7	48%	0.477	28%	0.275	S	S	.	.			trans	-125.8	-5.8	-176.8	-59.1	-169.6	164.6	0	0	113.3	A633 F637 W701 K702	A633-E635 PolarHBondContact O-N 3.1Å; E635-F637 PolarHBondContact O-N 2.87Å; E635-W701 HydrophobicContact CG-CZ2 3.9Å; E635-K702 VanDerWaalsContact CD-CE 3.42Å; E635-K702 WeakPolarHBondContact OE1-CE 3.4Å; E635-K702 IonicContact OE1-NZ 3.64Å; E635-K702 PolarHBondContact OE1-NZ 3.06Å; E635-K702 IonicContact OE2-NZ 3.61Å; E635-K702 PolarHBondContact OE2-NZ 3.1Å
636	D	89.7	Confident	89.6	Confident	79 Å²	79	63 Å²	63	42%	0.422	31%	0.309	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.9	43.7	-171.2	-159.1	11.5	0	0	0	113.5	F634 S638 S639 L640	F634-D636 HydrophobicContact CE2-CB 4.47Å; F634-D636 HydrophobicContact CZ-CB 4.23Å; D636-S638 PolarHBondContact O-N 3.31Å; D636-S638 PolarHBondContact OD1-OG 3.08Å; D636-S639 PolarHBondContact O-N 3.4Å; D636-S639 WeakPolarHBondContact OD1-CB 3.5Å; D636-S639 PolarHBondContact OD1-N 3.31Å; D636-S639 WeakPolarHBondContact OD2-CB 3.47Å; D636-L640 PolarHBondContact O-N 3.28Å
637	F	91.4	Very high	89.6	Confident	10 Å²	10	67 Å²	67	4%	0.044	33%	0.328	C	S	.	.	H	α-helix	trans	-65.3	-26.2	175.1	-59.8	-73.7	0	0	0	111.9	L629 F634 E635 L640 M641 I696 L699 N700 W701	L629-F637 HydrophobicContact CD1-CE1 4.07Å; L629-F637 HydrophobicContact CD1-CZ 4.03Å; F634-F637 HydrophobicContact CD1-CD1 4.44Å; F634-F637 AromaticContact CD1-CE1 3.95Å; F634-F637 HydrophobicContact CD1-CE1 3.95Å; F634-F637 HydrophobicContact CD1-CE2 4.33Å; F634-F637 AromaticContact CD1-CZ 3.89Å; F634-F637 HydrophobicContact CD1-CZ 3.89Å; F634-F637 HydrophobicContact CE1-CD1 4.1Å; F634-F637 HydrophobicContact CE1-CE1 4.01Å; F634-F637 HydrophobicContact CE1-CZ 4.36Å; F634-F637 WeakPolarHBondContact O-CE2 3.3Å; E635-F637 PolarHBondContact O-N 2.87Å; F637-L640 HydrophobicContact CD1-CD1 4.33Å; F637-M641 VanDerWaalsContact O-CB 3.31Å; F637-M641 WeakPolarHBondContact O-CB 3.23Å; F637-M641 PolarHBondContact O-N 3.14Å; F637-I696 HydrophobicContact CB-CG2 4.11Å; F637-I696 HydrophobicContact CD1-CG2 4.26Å; F637-L699 HydrophobicContact CE1-CB 4.07Å; F637-L699 WeakPolarHBondContact CZ-O 3.44Å; F637-N700 HydrophobicContact CD1-CB 4.24Å; F637-N700 HydrophobicContact CD2-CB 3.98Å; F637-N700 HydrophobicContact CE1-CB 4.44Å; F637-N700 HydrophobicContact CE2-CB 4.19Å; F637-N700 HydrophobicContact CG-CB 4.01Å; F637-N700 HydrophobicContact CZ-CB 4.41Å; F637-W701 AromaticContact CE2-CD1 3.92Å; F637-W701 AromaticContact CE2-NE1 3.88Å; F637-W701 AromaticContact CZ-CD1 3.81Å
638	S	90.4	Very high	89.9	Confident	83 Å²	83	65.9 Å²	65.9	58%	0.58	32%	0.324	S	S	*	.	H	α-helix	trans	-66.1	-41.7	174.3	42.7	0	0	0	0	112.6	D636 M641 T642	D636-S638 PolarHBondContact O-N 3.31Å; D636-S638 PolarHBondContact OD1-OG 3.08Å; S638-M641 PolarHBondContact O-N 2.81Å; S638-T642 WeakPolarHBondContact O-CB 3.48Å; S638-T642 PolarHBondContact O-N 3.02Å; S638-T642 PolarHBondContact O-OG1 3.33Å
639	S	91.1	Very high	89.9	Confident	40 Å²	40	69.3 Å²	69.3	28%	0.28	35%	0.353	S	S	.	.	H	α-helix	trans	-67.9	-44.4	176.5	-172.9	0	0	0	0	110.9	D636 M641 T642 A643 H667	D636-S639 PolarHBondContact O-N 3.4Å; D636-S639 WeakPolarHBondContact OD1-CB 3.5Å; D636-S639 PolarHBondContact OD1-N 3.31Å; D636-S639 WeakPolarHBondContact OD2-CB 3.47Å; S639-M641 VanDerWaalsContact C-N 3.34Å; S639-M641 PolarHBondContact O-N 3.25Å; S639-T642 WeakPolarHBondContact O-CB 3.03Å; S639-T642 PolarHBondContact O-N 3.41Å; S639-T642 VanDerWaalsContact O-N 3.08Å; S639-A643 PolarHBondContact O-N 3.23Å; S639-H667 PolarHBondContact OG-CD2 2.97Å; S639-H667 PolarHBondContact OG-NE2 3.27Å
640	L	91.1	Very high	89.8	Confident	2 Å²	2	76 Å²	76	1%	0.01	39%	0.389	C	S	.	.	H	α-helix	trans	-54	-48.3	171.4	-80.9	167.4	0	0	0	112.2	F634 D636 F637 T642 A643 C644 I663 H667 L669 I696	F634-L640 HydrophobicContact CE1-CD1 3.54Å; F634-L640 HydrophobicContact CZ-CD1 3.57Å; F634-L640 HydrophobicContact CZ-CG 4.28Å; D636-L640 PolarHBondContact O-N 3.28Å; F637-L640 HydrophobicContact CD1-CD1 4.33Å; L640-T642 VanDerWaalsContact C-N 3.3Å; L640-T642 PolarHBondContact O-N 3.17Å; L640-A643 PolarHBondContact O-N 3.45Å; L640-C644 PolarHBondContact O-N 3.31Å; L640-C644 PolarHBondContact O-SG 2.81Å; L640-I663 HydrophobicContact CD2-CG2 3.89Å; L640-H667 HydrophobicContact CD2-CB 3.6Å; L640-H667 HydrophobicContact CG-CB 4.05Å; L640-L669 HydrophobicContact CD1-CD1 4.01Å; L640-I696 HydrophobicContact CB-CD1 4.16Å
641	M	92.2	Very high	89.7	Confident	35 Å²	35	76.5 Å²	76.5	17%	0.172	40%	0.396	C	S	.	.	H	α-helix	trans	-62.1	-39.5	178	-167.9	68.6	76.2	0	0	111.5	F637 S638 S639 C644 R645 Y692 E693 I696	F637-M641 VanDerWaalsContact O-CB 3.31Å; F637-M641 WeakPolarHBondContact O-CB 3.23Å; F637-M641 PolarHBondContact O-N 3.14Å; S638-M641 PolarHBondContact O-N 2.81Å; S639-M641 VanDerWaalsContact C-N 3.34Å; S639-M641 PolarHBondContact O-N 3.25Å; M641-C644 PolarHBondContact O-N 3.11Å; M641-R645 WeakPolarHBondContact O-CG 3.23Å; M641-R645 PolarHBondContact O-N 3.19Å; M641-Y692 HydrophobicContact SD-CD2 4.17Å; M641-Y692 HydrophobicContact SD-CE2 4.34Å; M641-E693 HydrophobicContact SD-CB 4.39Å; M641-E693 HydrophobicContact SD-CG 4.01Å; M641-I696 HydrophobicContact CE-CB 3.78Å; M641-I696 HydrophobicContact CE-CD1 4.36Å; M641-I696 HydrophobicContact CE-CG2 3.71Å; M641-I696 HydrophobicContact SD-CD1 4.11Å
642	T	92.3	Very high	89.8	Confident	73 Å²	73	74.5 Å²	74.5	45%	0.448	40%	0.398	S	S	.	.	H	α-helix	trans	-67.4	-41.9	178.3	-54.7	0	0	0	0	111.4	S638 S639 L640 R645 Q646	S638-T642 WeakPolarHBondContact O-CB 3.48Å; S638-T642 PolarHBondContact O-N 3.02Å; S638-T642 PolarHBondContact O-OG1 3.33Å; S639-T642 WeakPolarHBondContact O-CB 3.03Å; S639-T642 PolarHBondContact O-N 3.41Å; S639-T642 VanDerWaalsContact O-N 3.08Å; L640-T642 VanDerWaalsContact C-N 3.3Å; L640-T642 PolarHBondContact O-N 3.17Å; T642-R645 PolarHBondContact O-N 2.6Å; T642-Q646 WeakPolarHBondContact O-CG 3.24Å; T642-Q646 PolarHBondContact O-N 3.28Å
643	A	92.7	Very high	89.8	Confident	14 Å²	14	69.4 Å²	69.4	12%	0.116	38%	0.382	C	S	.	.	H	α-helix	trans	-64.4	-41	175.9	0	0	0	0	0	112.1	S639 L640 R645 Q646 Q647 I663 H667	S639-A643 PolarHBondContact O-N 3.23Å; L640-A643 PolarHBondContact O-N 3.45Å; A643-R645 PolarHBondContact O-N 3.02Å; A643-Q646 PolarHBondContact O-N 3.28Å; A643-Q647 WeakPolarHBondContact O-CB 2.99Å; A643-Q647 PolarHBondContact O-N 2.51Å; A643-I663 HydrophobicContact CB-CG2 3.78Å; A643-H667 WeakPolarHBondContact CB-CE1 3.07Å; A643-H667 WeakPolarHBondContact CB-NE2 3.21Å
644	C	91.6	Very high	89.9	Confident	1 Å²	1	69 Å²	69	1%	0.007	37%	0.368	C	S	.	.	H	α-helix	trans	-60.8	-44.7	172.9	-67.3	0	0	0	0	111.6	L640 M641 Q646 Q647 D648 M655 I663 Y692 I696	L640-C644 PolarHBondContact O-N 3.31Å; L640-C644 PolarHBondContact O-SG 2.81Å; M641-C644 PolarHBondContact O-N 3.11Å; C644-Q646 VanDerWaalsContact C-N 3.34Å; C644-Q646 PolarHBondContact O-N 3.24Å; C644-Q647 PolarHBondContact O-N 3.24Å; C644-D648 WeakPolarHBondContact O-CB 3.11Å; C644-D648 PolarHBondContact O-N 3.35Å; C644-M655 HydrophobicContact CB-CE 3.82Å; C644-M655 WeakPolarHBondContact SG-CE 3.46Å; C644-I663 HydrophobicContact CB-CD1 4.42Å; C644-Y692 HydrophobicContact CB-CD1 4.43Å; C644-Y692 HydrophobicContact CB-CD2 3.42Å; C644-Y692 VanDerWaalsContact CB-CD2 3.42Å; C644-Y692 HydrophobicContact CB-CE2 3.83Å; C644-Y692 HydrophobicContact CB-CG 3.77Å; C644-I696 HydrophobicContact CB-CD1 4.44Å
645	R	91.8	Very high	89.8	Confident	147 Å²	147	68.7 Å²	68.7	56%	0.555	37%	0.367	S	S	*	.	H	α-helix	trans	-67.5	-29.4	177.3	-73.8	176.6	174.2	176.4	-1.3	114	M641 T642 A643 Y692 E693	M641-R645 WeakPolarHBondContact O-CG 3.23Å; M641-R645 PolarHBondContact O-N 3.19Å; T642-R645 PolarHBondContact O-N 2.6Å; A643-R645 PolarHBondContact O-N 3.02Å; R645-Y692 HydrophobicContact CG-CE2 4.1Å; R645-E693 IonicContact CZ-OE1 3.52Å; R645-E693 IonicContact NE-OE1 3.37Å; R645-E693 PolarHBondContact NE-OE1 3.32Å; R645-E693 IonicContact NH2-OE1 2.78Å; R645-E693 PolarHBondContact NH2-OE1 3.03Å
646	Q	89.5	Confident	89.8	Confident	153 Å²	153	67.4 Å²	67.4	72%	0.715	36%	0.363	S	S	*	.	H	α-helix	trans	-72.7	-33.4	173.9	-76.6	176.1	3.7	0	0	111.9	T642 A643 C644	T642-Q646 WeakPolarHBondContact O-CG 3.24Å; T642-Q646 PolarHBondContact O-N 3.28Å; A643-Q646 PolarHBondContact O-N 3.28Å; C644-Q646 VanDerWaalsContact C-N 3.34Å; C644-Q646 PolarHBondContact O-N 3.24Å
647	Q	88.9	Confident	89.8	Confident	97 Å²	97	66.3 Å²	66.3	45%	0.453	35%	0.353	S	S	.	.	H	α-helix	trans	-82.4	-28.5	179.5	-166.3	154.7	-8.2	0	0	112.6	A643 C644 A649 M655 I663	A643-Q647 WeakPolarHBondContact O-CB 2.99Å; A643-Q647 PolarHBondContact O-N 2.51Å; C644-Q647 PolarHBondContact O-N 3.24Å; Q647-A649 VanDerWaalsContact C-N 3.31Å; Q647-A649 PolarHBondContact O-N 2.65Å; Q647-A649 VanDerWaalsContact O-N 3.08Å; Q647-M655 HydrophobicContact CB-SD 4.13Å; Q647-M655 HydrophobicContact CG-SD 4.04Å; Q647-I663 HydrophobicContact CB-CD1 4.28Å
648	D	89.9	Confident	89.7	Confident	13 Å²	13	71.2 Å²	71.2	7%	0.07	38%	0.376	C	S	.	.			trans	-80.5	70.4	171.7	-176.6	21.1	0	0	0	111.4	C644 D650 K651 T652 G653 Y692	C644-D648 WeakPolarHBondContact O-CB 3.11Å; C644-D648 PolarHBondContact O-N 3.35Å; D648-D650 PolarHBondContact O-N 3.43Å; D648-K651 PolarHBondContact O-N 3.31Å; D648-K651 VanDerWaalsContact O-N 3.09Å; D648-K651 PolarHBondContact OD1-N 2.71Å; D648-K651 VanDerWaalsContact OD1-N 3.1Å; D648-K651 WeakPolarHBondContact OD2-CA 3.48Å; D648-T652 VanDerWaalsContact CG-N 3.34Å; D648-T652 PolarHBondContact OD1-N 2.72Å; D648-T652 PolarHBondContact OD1-OG1 2.84Å; D648-T652 PolarHBondContact OD2-N 3.41Å; D648-G653 PolarHBondContact OD2-N 3.23Å; D648-Y692 HydrophobicContact CB-CE1 3.94Å; D648-Y692 WeakPolarHBondContact OD2-CE1 3.43Å; D648-Y692 PolarHBondContact OD2-OH 3.07Å
649	A	86.7	Confident	89.7	Confident	87 Å²	87	67.6 Å²	67.6	72%	0.719	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-30.1	179.4	0	0	0	0	0	112.9	Q647	Q647-A649 VanDerWaalsContact C-N 3.31Å; Q647-A649 PolarHBondContact O-N 2.65Å; Q647-A649 VanDerWaalsContact O-N 3.08Å
650	D	86.8	Confident	89.7	Confident	141 Å²	141	65.7 Å²	65.7	75%	0.754	34%	0.338	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.6	-6.2	-177.8	-64.3	-25.7	0	0	0	113.2	D648 T652	D648-D650 PolarHBondContact O-N 3.43Å; D650-T652 VanDerWaalsContact C-N 3.25Å; D650-T652 HydrophobicContact CB-CG2 3.81Å; D650-T652 PolarHBondContact O-N 3.49Å
651	K	85.6	Confident	89.7	Confident	185 Å²	185	68.7 Å²	68.7	80%	0.804	35%	0.349	S	S	*	.			trans	54	39.9	-177.7	-57	179.3	-179.5	177.1	0	113	D648 G653	D648-K651 PolarHBondContact O-N 3.31Å; D648-K651 VanDerWaalsContact O-N 3.09Å; D648-K651 PolarHBondContact OD1-N 2.71Å; D648-K651 VanDerWaalsContact OD1-N 3.1Å; D648-K651 WeakPolarHBondContact OD2-CA 3.48Å; K651-G653 VanDerWaalsContact C-N 3.31Å
652	T	87.7	Confident	89.6	Confident	87 Å²	87	74.2 Å²	74.2	53%	0.534	37%	0.368	S	S	.	.			trans	-73.4	-23.5	-180	57.7	0	0	0	0	112.9	D648 D650 E654	D648-T652 VanDerWaalsContact CG-N 3.34Å; D648-T652 PolarHBondContact OD1-N 2.72Å; D648-T652 PolarHBondContact OD1-OG1 2.84Å; D648-T652 PolarHBondContact OD2-N 3.41Å; D650-T652 VanDerWaalsContact C-N 3.25Å; D650-T652 HydrophobicContact CB-CG2 3.81Å; D650-T652 PolarHBondContact O-N 3.49Å; T652-E654 PolarHBondContact O-N 2.99Å; T652-E654 PolarHBondContact OG1-N 3.17Å; T652-E654 PolarHBondContact OG1-O 3.23Å
653	G	89.5	Confident	89.7	Confident	19 Å²	19	71.1 Å²	71.1	20%	0.196	35%	0.348	C	S	.	.	S	Bend	trans	76.4	-2	-170.6	0	0	0	0	0	113.5	D648 K651 Q691 Y692	D648-G653 PolarHBondContact OD2-N 3.23Å; K651-G653 VanDerWaalsContact C-N 3.31Å; G653-Q691 WeakPolarHBondContact O-CA 3.31Å; G653-Y692 VanDerWaalsContact CA-CE1 3.44Å; G653-Y692 VanDerWaalsContact O-CD1 3.28Å; G653-Y692 WeakPolarHBondContact O-CD1 3.47Å; G653-Y692 WeakPolarHBondContact O-CE1 3.25Å; G653-Y692 PolarHBondContact O-N 2.95Å
654	E	89.2	Confident	89.6	Confident	60 Å²	60	70.6 Å²	70.6	28%	0.28	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	145.1	-179.2	-69.5	-163.1	169.4	0	0	110.5	T652 N685 S689 I690 Q691	T652-E654 PolarHBondContact O-N 2.99Å; T652-E654 PolarHBondContact OG1-N 3.17Å; T652-E654 PolarHBondContact OG1-O 3.23Å; E654-N685 PolarHBondContact OE1-ND2 2.93Å; E654-N685 VanDerWaalsContact OE1-ND2 3.16Å; E654-S689 WeakPolarHBondContact OE2-CB 3.23Å; E654-S689 PolarHBondContact OE2-OG 3.08Å; E654-I690 WeakPolarHBondContact CA-O 3.44Å; E654-Q691 HydrophobicContact CG-CG 3.8Å; E654-Q691 PolarHBondContact OE1-NE2 3.08Å
655	M	88.7	Confident	89.6	Confident	15 Å²	15	74.2 Å²	74.2	7%	0.074	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	148.5	178.2	-177.4	161.4	54.1	0	0	110.8	C644 Q647 A659 I660 I663 I690 Y692	C644-M655 HydrophobicContact CB-CE 3.82Å; C644-M655 WeakPolarHBondContact SG-CE 3.46Å; Q647-M655 HydrophobicContact CB-SD 4.13Å; Q647-M655 HydrophobicContact CG-SD 4.04Å; M655-A659 HydrophobicContact CG-CB 3.54Å; M655-A659 HydrophobicContact SD-CB 3.73Å; M655-I660 HydrophobicContact CB-CD1 4.11Å; M655-I660 HydrophobicContact CB-CG1 3.95Å; M655-I660 HydrophobicContact CE-CB 4.27Å; M655-I660 HydrophobicContact CE-CD1 4.4Å; M655-I660 HydrophobicContact CE-CG1 3.3Å; M655-I660 HydrophobicContact CG-CG1 4Å; M655-I660 HydrophobicContact SD-CG1 4.42Å; M655-I663 HydrophobicContact CE-CD1 3.3Å; M655-I663 HydrophobicContact SD-CD1 3.83Å; M655-I690 PolarHBondContact N-O 3.14Å; M655-I690 PolarHBondContact O-N 2.91Å; M655-Y692 HydrophobicContact CB-CD1 3.96Å; M655-Y692 HydrophobicContact CE-CD1 4.49Å
656	D	89.4	Confident	89.6	Confident	74 Å²	74	70.4 Å²	70.4	40%	0.396	36%	0.363	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.9	141.1	175.3	170.8	54.1	0	0	0	111.5	H658 A659 I660	D656-H658 VanDerWaalsContact C-N 3.25Å; D656-H658 PolarHBondContact O-N 3.36Å; D656-H658 VanDerWaalsContact OD2-CB 3.28Å; D656-H658 WeakPolarHBondContact OD2-CB 3.49Å; D656-H658 IonicContact OD2-CD2 3.37Å; D656-H658 IonicContact OD2-CG 3.4Å; D656-H658 PolarHBondContact OD2-N 3.04Å; D656-H658 VanDerWaalsContact OD2-N 3.1Å; D656-A659 HydrophobicContact CB-CB 4.3Å; D656-A659 WeakPolarHBondContact O-CA 3.22Å; D656-A659 WeakPolarHBondContact O-CB 3.4Å; D656-A659 PolarHBondContact O-N 3.43Å; D656-A659 PolarHBondContact OD2-N 3.44Å; D656-I660 PolarHBondContact O-N 3.47Å
657	R	88.9	Confident	89.7	Confident	56 Å²	56	65.6 Å²	65.6	21%	0.211	34%	0.34	C	S	.	.	H	α-helix	trans	-49.8	-46.4	177.9	168.8	-174.1	176.7	171.1	14.5	111.9	A659 I660 R661 M680 D681 I690	R657-A659 VanDerWaalsContact C-N 3.3Å; R657-A659 PolarHBondContact O-N 3.21Å; R657-I660 PolarHBondContact O-N 3.39Å; R657-R661 WeakPolarHBondContact O-CB 3.31Å; R657-R661 PolarHBondContact O-N 2.81Å; R657-M680 HydrophobicContact CG-CB 4.13Å; R657-M680 HydrophobicContact CG-SD 4Å; R657-D681 IonicContact CZ-OD1 3.43Å; R657-D681 IonicContact CZ-OD2 3.1Å; R657-D681 IonicContact NH1-OD1 3.46Å; R657-D681 PolarHBondContact NH1-OD1 3.42Å; R657-D681 IonicContact NH1-OD2 3.05Å; R657-D681 VanDerWaalsContact NH2-CG 3.34Å; R657-D681 IonicContact NH2-OD1 3.75Å; R657-D681 PolarHBondContact NH2-OD1 3.01Å; R657-D681 VanDerWaalsContact NH2-OD1 3.1Å; R657-D681 IonicContact NH2-OD2 2.68Å; R657-D681 PolarHBondContact NH2-OD2 2.96Å; R657-I690 HydrophobicContact CB-CD1 4.07Å; R657-I690 HydrophobicContact CG-CD1 4.37Å
658	H	89.5	Confident	89.7	Confident	114 Å²	114	68.4 Å²	68.4	53%	0.528	35%	0.353	S	S	.	.	H	α-helix	trans	-71.3	-28.3	-176.8	-59.4	-73.3	0	0	0	112	D656 R662	D656-H658 VanDerWaalsContact C-N 3.25Å; D656-H658 PolarHBondContact O-N 3.36Å; D656-H658 VanDerWaalsContact OD2-CB 3.28Å; D656-H658 WeakPolarHBondContact OD2-CB 3.49Å; D656-H658 IonicContact OD2-CD2 3.37Å; D656-H658 IonicContact OD2-CG 3.4Å; D656-H658 PolarHBondContact OD2-N 3.04Å; D656-H658 VanDerWaalsContact OD2-N 3.1Å; H658-R662 WeakPolarHBondContact O-CB 2.92Å; H658-R662 VanDerWaalsContact O-CG 3.31Å; H658-R662 WeakPolarHBondContact O-CG 3.07Å; H658-R662 PolarHBondContact O-N 3.42Å; H658-R662 PolarHBondContact O-NE 2.87Å
659	A	90.2	Very high	89.8	Confident	6 Å²	6	68.2 Å²	68.2	5%	0.05	35%	0.352	C	S	.	.	H	α-helix	trans	-68.8	-47.6	172.1	0	0	0	0	0	111.7	M655 D656 R657 R661 R662 I663	M655-A659 HydrophobicContact CG-CB 3.54Å; M655-A659 HydrophobicContact SD-CB 3.73Å; D656-A659 HydrophobicContact CB-CB 4.3Å; D656-A659 WeakPolarHBondContact O-CA 3.22Å; D656-A659 WeakPolarHBondContact O-CB 3.4Å; D656-A659 PolarHBondContact O-N 3.43Å; D656-A659 PolarHBondContact OD2-N 3.44Å; R657-A659 VanDerWaalsContact C-N 3.3Å; R657-A659 PolarHBondContact O-N 3.21Å; A659-R661 VanDerWaalsContact C-N 3.33Å; A659-R661 PolarHBondContact O-N 2.84Å; A659-R662 PolarHBondContact O-N 2.99Å; A659-I663 WeakPolarHBondContact O-CG1 3.22Å; A659-I663 PolarHBondContact O-N 2.87Å
660	I	90.7	Very high	90	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.327	C	S	.	.	H	α-helix	trans	-61.1	-43.1	175.5	-62.2	161.9	0	0	0	110.7	M655 D656 R657 R662 I663 C664 M680 I690 F695	M655-I660 HydrophobicContact CB-CD1 4.11Å; M655-I660 HydrophobicContact CB-CG1 3.95Å; M655-I660 HydrophobicContact CE-CB 4.27Å; M655-I660 HydrophobicContact CE-CD1 4.4Å; M655-I660 HydrophobicContact CE-CG1 3.3Å; M655-I660 HydrophobicContact CG-CG1 4Å; M655-I660 HydrophobicContact SD-CG1 4.42Å; D656-I660 PolarHBondContact O-N 3.47Å; R657-I660 PolarHBondContact O-N 3.39Å; I660-R662 VanDerWaalsContact C-N 3.33Å; I660-R662 PolarHBondContact O-N 2.95Å; I660-I663 PolarHBondContact O-N 3.48Å; I660-I663 VanDerWaalsContact O-N 3.13Å; I660-C664 PolarHBondContact O-N 3.46Å; I660-C664 PolarHBondContact O-SG 3.1Å; I660-M680 HydrophobicContact CB-CE 4.12Å; I660-M680 HydrophobicContact CG2-CE 3.7Å; I660-I690 HydrophobicContact CD1-CB 3.43Å; I660-I690 VanDerWaalsContact CD1-CB 3.43Å; I660-I690 HydrophobicContact CD1-CD1 4.1Å; I660-I690 HydrophobicContact CD1-CG1 4.27Å; I660-I690 HydrophobicContact CD1-CG2 3.73Å; I660-F695 HydrophobicContact CG2-CD1 4.07Å; I660-F695 HydrophobicContact CG2-CE1 4.02Å
661	R	91.5	Very high	90	Very high	66 Å²	66	59.4 Å²	59.4	25%	0.249	30%	0.295	C	S	.	.	H	α-helix	trans	-58.3	-44.4	175.9	-173	173.4	168.7	-85.3	-1.6	112.2	R657 A659 I663 C664 L665 D673 L676 N677 M680	R657-R661 WeakPolarHBondContact O-CB 3.31Å; R657-R661 PolarHBondContact O-N 2.81Å; A659-R661 VanDerWaalsContact C-N 3.33Å; A659-R661 PolarHBondContact O-N 2.84Å; R661-I663 VanDerWaalsContact C-N 3.33Å; R661-I663 PolarHBondContact O-N 3.41Å; R661-C664 PolarHBondContact O-N 3.21Å; R661-L665 HydrophobicContact CG-CD1 4.07Å; R661-L665 HydrophobicContact CG-CG 4.46Å; R661-L665 WeakPolarHBondContact O-CB 3.2Å; R661-L665 VanDerWaalsContact O-CG 3.3Å; R661-L665 WeakPolarHBondContact O-CG 3.29Å; R661-L665 PolarHBondContact O-N 3.24Å; R661-D673 IonicContact CZ-OD1 2.74Å; R661-D673 IonicContact CZ-OD2 3.09Å; R661-D673 IonicContact NE-OD1 2.7Å; R661-D673 PolarHBondContact NE-OD1 2.68Å; R661-D673 IonicContact NE-OD2 2.79Å; R661-D673 PolarHBondContact NE-OD2 2.87Å; R661-D673 IonicContact NH2-OD1 3.91Å; R661-D673 PolarHBondContact NH2-OD1 3.46Å; R661-D673 IonicContact NH2-OD2 2.69Å; R661-D673 PolarHBondContact NH2-OD2 2.98Å; R661-L676 HydrophobicContact CG-CD2 4.06Å; R661-N677 WeakPolarHBondContact CD-OD1 3.35Å; R661-M680 VanDerWaalsContact CA-CE 3.49Å; R661-M680 HydrophobicContact CB-CE 3.78Å; R661-M680 HydrophobicContact CB-SD 3.79Å; R661-M680 HydrophobicContact CG-CE 4.46Å; R661-M680 HydrophobicContact CG-SD 4.4Å
662	R	91.4	Very high	90.1	Very high	151 Å²	151	52 Å²	52	57%	0.57	27%	0.266	S	S	*	.	H	α-helix	trans	-61	-41.8	175.6	-79.4	-175.7	-67.4	168	-1.3	111.8	H658 A659 I660 L665 A666	H658-R662 WeakPolarHBondContact O-CB 2.92Å; H658-R662 VanDerWaalsContact O-CG 3.31Å; H658-R662 WeakPolarHBondContact O-CG 3.07Å; H658-R662 PolarHBondContact O-N 3.42Å; H658-R662 PolarHBondContact O-NE 2.87Å; A659-R662 PolarHBondContact O-N 2.99Å; I660-R662 VanDerWaalsContact C-N 3.33Å; I660-R662 PolarHBondContact O-N 2.95Å; R662-L665 PolarHBondContact O-N 2.82Å; R662-A666 WeakPolarHBondContact O-CB 3.19Å; R662-A666 PolarHBondContact O-N 3.31Å
663	I	92.9	Very high	90	Very high	7 Å²	7	50.8 Å²	50.8	4%	0.036	26%	0.255	C	S	.	.	H	α-helix	trans	-64.5	-47.1	177.2	-66.4	172.9	0	0	0	110.9	L640 A643 C644 Q647 M655 A659 I660 R661 L665 A666 H667	L640-I663 HydrophobicContact CD2-CG2 3.89Å; A643-I663 HydrophobicContact CB-CG2 3.78Å; C644-I663 HydrophobicContact CB-CD1 4.42Å; Q647-I663 HydrophobicContact CB-CD1 4.28Å; M655-I663 HydrophobicContact CE-CD1 3.3Å; M655-I663 HydrophobicContact SD-CD1 3.83Å; A659-I663 WeakPolarHBondContact O-CG1 3.22Å; A659-I663 PolarHBondContact O-N 2.87Å; I660-I663 PolarHBondContact O-N 3.48Å; I660-I663 VanDerWaalsContact O-N 3.13Å; R661-I663 VanDerWaalsContact C-N 3.33Å; R661-I663 PolarHBondContact O-N 3.41Å; I663-L665 VanDerWaalsContact C-N 3.34Å; I663-L665 PolarHBondContact O-N 2.87Å; I663-A666 PolarHBondContact O-N 3.41Å; I663-H667 PolarHBondContact O-N 2.89Å; I663-H667 PolarHBondContact O-ND1 3.47Å
664	C	91.9	Very high	89.6	Confident	4 Å²	4	51.9 Å²	51.9	3%	0.027	26%	0.257	C	S	.	.	H	α-helix	trans	-57.8	-45.5	177	-68.5	0	0	0	0	112	I660 R661 H667 H668 L669 L676	I660-C664 PolarHBondContact O-N 3.46Å; I660-C664 PolarHBondContact O-SG 3.1Å; R661-C664 PolarHBondContact O-N 3.21Å; C664-H667 PolarHBondContact O-N 3.01Å; C664-H668 PolarHBondContact O-N 2.62Å; C664-L669 HydrophobicContact CB-CB 4.05Å; C664-L669 HydrophobicContact CB-CD2 3.76Å; C664-L669 WeakPolarHBondContact O-CB 3.06Å; C664-L669 PolarHBondContact O-N 2.92Å; C664-L676 HydrophobicContact CB-CD1 4.35Å; C664-L676 HydrophobicContact CB-CD2 3.8Å
665	L	91.1	Very high	89.3	Confident	76 Å²	76	49 Å²	49	40%	0.398	24%	0.244	S	C	.	.	H	α-helix	trans	-67.4	-39.9	177.6	-68.8	173.8	0	0	0	112.3	R661 R662 I663 H667 H668	R661-L665 HydrophobicContact CG-CD1 4.07Å; R661-L665 HydrophobicContact CG-CG 4.46Å; R661-L665 WeakPolarHBondContact O-CB 3.2Å; R661-L665 VanDerWaalsContact O-CG 3.3Å; R661-L665 WeakPolarHBondContact O-CG 3.29Å; R661-L665 PolarHBondContact O-N 3.24Å; R662-L665 PolarHBondContact O-N 2.82Å; I663-L665 VanDerWaalsContact C-N 3.34Å; I663-L665 PolarHBondContact O-N 2.87Å; L665-H667 VanDerWaalsContact C-N 3.31Å; L665-H667 PolarHBondContact O-N 3.17Å; L665-H668 PolarHBondContact O-N 3.46Å; L665-H668 VanDerWaalsContact O-N 3.14Å
666	A	91.7	Very high	89.3	Confident	68 Å²	68	48.5 Å²	48.5	56%	0.562	24%	0.241	S	C	*	.	H	α-helix	trans	-65.8	-32.5	178.3	0	0	0	0	0	112.9	R662 I663 H668	R662-A666 WeakPolarHBondContact O-CB 3.19Å; R662-A666 PolarHBondContact O-N 3.31Å; I663-A666 PolarHBondContact O-N 3.41Å; A666-H668 PolarHBondContact O-N 3.17Å
667	H	90.9	Very high	89.1	Confident	51 Å²	51	46.8 Å²	46.8	24%	0.236	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-88.1	11.6	176	-68.8	67	0	0	0	112.8	S639 L640 A643 I663 C664 L665 L669	S639-H667 PolarHBondContact OG-CD2 2.97Å; S639-H667 PolarHBondContact OG-NE2 3.27Å; L640-H667 HydrophobicContact CD2-CB 3.6Å; L640-H667 HydrophobicContact CG-CB 4.05Å; A643-H667 WeakPolarHBondContact CB-CE1 3.07Å; A643-H667 WeakPolarHBondContact CB-NE2 3.21Å; I663-H667 PolarHBondContact O-N 2.89Å; I663-H667 PolarHBondContact O-ND1 3.47Å; C664-H667 PolarHBondContact O-N 3.01Å; L665-H667 VanDerWaalsContact C-N 3.31Å; L665-H667 PolarHBondContact O-N 3.17Å; H667-L669 PolarHBondContact O-N 3.2Å
668	H	90.2	Very high	88.9	Confident	156 Å²	156	45.3 Å²	45.3	72%	0.722	23%	0.23	S	C	*	.	T	Hydrogen-bonded Turn	trans	52.7	38	-179.1	-55.8	-57	0	0	0	113.2	C664 L665 A666 P670	C664-H668 PolarHBondContact O-N 2.62Å; L665-H668 PolarHBondContact O-N 3.46Å; L665-H668 VanDerWaalsContact O-N 3.14Å; A666-H668 PolarHBondContact O-N 3.17Å; H668-P670 VanDerWaalsContact O-CD 3.22Å; H668-P670 WeakPolarHBondContact O-CD 3.37Å
669	L	91.1	Very high	88.7	Confident	10 Å²	10	40 Å²	40	5%	0.052	21%	0.206	C	C	.	.			trans	-55.8	115.3	174.7	-177.6	72.5	0	0	0	107.9	L629 F634 L640 C664 H667 L671 L676 L699	L629-L669 HydrophobicContact CD1-CD1 4.39Å; L629-L669 HydrophobicContact CD2-CD1 3.53Å; L629-L669 HydrophobicContact CD2-CG 4.21Å; F634-L669 HydrophobicContact CD1-CD1 3.77Å; F634-L669 HydrophobicContact CE1-CD1 3.51Å; F634-L669 HydrophobicContact CE2-CD1 4.45Å; F634-L669 HydrophobicContact CG-CD1 4.36Å; F634-L669 HydrophobicContact CZ-CD1 3.88Å; L640-L669 HydrophobicContact CD1-CD1 4.01Å; C664-L669 HydrophobicContact CB-CB 4.05Å; C664-L669 HydrophobicContact CB-CD2 3.76Å; C664-L669 WeakPolarHBondContact O-CB 3.06Å; C664-L669 PolarHBondContact O-N 2.92Å; H667-L669 PolarHBondContact O-N 3.2Å; L669-L671 HydrophobicContact CD2-CD1 3.83Å; L669-L671 HydrophobicContact CD2-CG 4.21Å; L669-L671 HydrophobicContact CG-CB 4.49Å; L669-L671 HydrophobicContact CG-CD1 4.28Å; L669-L671 HydrophobicContact CG-CG 4.14Å; L669-L671 PolarHBondContact O-N 2.87Å; L669-L676 HydrophobicContact CD2-CD1 3.98Å; L669-L699 HydrophobicContact CD2-CD1 4.36Å
670	P	90.6	Very high	88.6	Confident	29 Å²	29	39.7 Å²	39.7	19%	0.188	20%	0.203	C	C	.	.			trans	-89.3	45.2	-162.4	39.3	-41.3	0	0	0	111.5	L629 K632 F634 H668	L629-P670 HydrophobicContact CD2-CG 3.97Å; K632-P670 HydrophobicContact CB-CB 4.32Å; K632-P670 HydrophobicContact CB-CG 3.89Å; K632-P670 HydrophobicContact CD-CB 3.45Å; K632-P670 VanDerWaalsContact CD-CB 3.45Å; K632-P670 HydrophobicContact CD-CG 3.86Å; K632-P670 PolarHBondContact NZ-O 3.21Å; F634-P670 HydrophobicContact CB-CG 3.74Å; F634-P670 HydrophobicContact CD2-CG 4.08Å; F634-P670 HydrophobicContact CG-CG 4.11Å; H668-P670 VanDerWaalsContact O-CD 3.22Å; H668-P670 WeakPolarHBondContact O-CD 3.37Å
671	L	88.6	Confident	88.2	Confident	14 Å²	14	43.8 Å²	43.8	7%	0.073	23%	0.225	C	C	.	.	S	Bend	trans	-95.5	140.6	169.1	-66.8	-177.9	0	0	0	110	A625 T628 L629 L669 M675 L676 L679 L699	A625-L671 HydrophobicContact CB-CD1 4.15Å; A625-L671 HydrophobicContact CB-CD2 4Å; T628-L671 WeakPolarHBondContact OG1-CD2 3.28Å; L629-L671 HydrophobicContact CD1-CD1 4.37Å; L629-L671 HydrophobicContact CD1-CD2 4.43Å; L629-L671 HydrophobicContact CD2-CD2 4.07Å; L629-L671 HydrophobicContact CD2-CG 3.98Å; L629-L671 HydrophobicContact CG-CD2 3.87Å; L629-L671 HydrophobicContact CG-CG 4.2Å; L669-L671 HydrophobicContact CD2-CD1 3.83Å; L669-L671 HydrophobicContact CD2-CG 4.21Å; L669-L671 HydrophobicContact CG-CB 4.49Å; L669-L671 HydrophobicContact CG-CD1 4.28Å; L669-L671 HydrophobicContact CG-CG 4.14Å; L669-L671 PolarHBondContact O-N 2.87Å; L671-M675 HydrophobicContact CD2-SD 3.94Å; L671-L676 HydrophobicContact CD1-CD1 4.48Å; L671-L679 HydrophobicContact CD1-CD1 4.17Å; L671-L699 HydrophobicContact CD1-CD2 4.06Å
672	P	86.1	Confident	87.7	Confident	30 Å²	30	43.5 Å²	43.5	20%	0.195	23%	0.233	C	C	.	.			trans	-54.2	145.6	165.1	-23.6	34	0	0	0	112.1	D674 M675 L676 Y717	P672-D674 WeakPolarHBondContact CB-OD1 3.24Å; P672-D674 PolarHBondContact O-N 3.48Å; P672-M675 HydrophobicContact CB-CB 4.17Å; P672-M675 HydrophobicContact CG-CB 4.48Å; P672-M675 HydrophobicContact CG-CE 3.94Å; P672-M675 WeakPolarHBondContact O-CB 3.21Å; P672-M675 PolarHBondContact O-N 3.06Å; P672-M675 VanDerWaalsContact O-N 3.17Å; P672-L676 PolarHBondContact O-N 3.15Å; P672-Y717 HydrophobicContact CB-CD1 3.94Å; P672-Y717 HydrophobicContact CB-CE1 3.3Å; P672-Y717 HydrophobicContact CG-CD1 3.24Å; P672-Y717 HydrophobicContact CG-CE1 3.17Å; P672-Y717 HydrophobicContact CG-CG 4.02Å
673	D	85.5	Confident	87.2	Confident	60 Å²	60	37.4 Å²	37.4	32%	0.321	21%	0.213	S	C	.	.	H	α-helix	trans	-68.2	-37.1	-172.4	-166.9	61.7	0	0	0	113.3	R661 M675 L676 N677	R661-D673 IonicContact CZ-OD1 2.74Å; R661-D673 IonicContact CZ-OD2 3.09Å; R661-D673 IonicContact NE-OD1 2.7Å; R661-D673 PolarHBondContact NE-OD1 2.68Å; R661-D673 IonicContact NE-OD2 2.79Å; R661-D673 PolarHBondContact NE-OD2 2.87Å; R661-D673 IonicContact NH2-OD1 3.91Å; R661-D673 PolarHBondContact NH2-OD1 3.46Å; R661-D673 IonicContact NH2-OD2 2.69Å; R661-D673 PolarHBondContact NH2-OD2 2.98Å; D673-M675 VanDerWaalsContact C-N 3.33Å; D673-L676 PolarHBondContact O-N 3.48Å; D673-N677 WeakPolarHBondContact O-CB 3.12Å; D673-N677 PolarHBondContact O-N 2.86Å; D673-N677 PolarHBondContact O-ND2 2.74Å; D673-N677 PolarHBondContact OD2-ND2 3.45Å
674	D	81	Confident	86.8	Confident	43 Å²	43	39 Å²	39	23%	0.23	22%	0.223	C	C	.	.	H	α-helix	trans	-62.6	-40.5	171.9	65.6	-32.2	0	0	0	111.2	P672 N677 S678 Y717 I721	P672-D674 WeakPolarHBondContact CB-OD1 3.24Å; P672-D674 PolarHBondContact O-N 3.48Å; D674-N677 PolarHBondContact O-N 3.16Å; D674-S678 PolarHBondContact O-N 2.92Å; D674-S678 PolarHBondContact O-OG 3.43Å; D674-Y717 VanDerWaalsContact OD1-CZ 3.27Å; D674-Y717 PolarHBondContact OD1-OH 3.31Å; D674-Y717 WeakPolarHBondContact OD2-CE2 3.4Å; D674-Y717 VanDerWaalsContact OD2-CZ 3.25Å; D674-Y717 PolarHBondContact OD2-OH 2.63Å; D674-I721 HydrophobicContact CB-CD1 4.07Å; D674-I721 VanDerWaalsContact O-CD1 3.24Å; D674-I721 WeakPolarHBondContact O-CD1 3.31Å; D674-I721 PolarHBondContact OD2-N 3.38Å
675	M	83.9	Confident	86.3	Confident	0 Å²	0	41.5 Å²	41.5	0%	0	24%	0.236	C	C	.	.	H	α-helix	trans	-64.5	-45.8	178.5	-169.7	-174.3	-51.2	0	0	110.5	L621 I624 A625 T628 L671 P672 D673 N677 S678 L679 Y717 I721 W725	L621-M675 HydrophobicContact CD1-CG 4.02Å; I624-M675 HydrophobicContact CG2-CE 4.07Å; I624-M675 HydrophobicContact CG2-SD 4.28Å; A625-M675 HydrophobicContact CB-SD 3.82Å; T628-M675 HydrophobicContact CG2-CE 4.45Å; L671-M675 HydrophobicContact CD2-SD 3.94Å; P672-M675 HydrophobicContact CB-CB 4.17Å; P672-M675 HydrophobicContact CG-CB 4.48Å; P672-M675 HydrophobicContact CG-CE 3.94Å; P672-M675 WeakPolarHBondContact O-CB 3.21Å; P672-M675 PolarHBondContact O-N 3.06Å; P672-M675 VanDerWaalsContact O-N 3.17Å; D673-M675 VanDerWaalsContact C-N 3.33Å; M675-N677 VanDerWaalsContact C-N 3.3Å; M675-N677 PolarHBondContact O-N 2.83Å; M675-S678 PolarHBondContact O-N 2.85Å; M675-L679 HydrophobicContact CG-CD1 4.23Å; M675-L679 WeakPolarHBondContact O-CB 3.48Å; M675-L679 VanDerWaalsContact O-CG 3.25Å; M675-L679 WeakPolarHBondContact O-CG 3.42Å; M675-L679 PolarHBondContact O-N 2.93Å; M675-Y717 HydrophobicContact CE-CD1 4.49Å; M675-Y717 HydrophobicContact CE-CD2 3.95Å; M675-Y717 HydrophobicContact CE-CG 3.87Å; M675-I721 HydrophobicContact CB-CD1 4.2Å; M675-W725 HydrophobicContact CE-CH2 3.49Å; M675-W725 VanDerWaalsContact CE-CH2 3.49Å; M675-W725 HydrophobicContact CE-CZ2 4.46Å; M675-W725 HydrophobicContact CE-CZ3 4.21Å
676	L	88	Confident	85.6	Confident	3 Å²	3	47.5 Å²	47.5	2%	0.016	26%	0.262	C	S	.	.	H	α-helix	trans	-60	-42.7	174.6	-174.5	62.6	0	0	0	111.3	R661 C664 L669 L671 P672 D673 M680 F695	R661-L676 HydrophobicContact CG-CD2 4.06Å; C664-L676 HydrophobicContact CB-CD1 4.35Å; C664-L676 HydrophobicContact CB-CD2 3.8Å; L669-L676 HydrophobicContact CD2-CD1 3.98Å; L671-L676 HydrophobicContact CD1-CD1 4.48Å; P672-L676 PolarHBondContact O-N 3.15Å; D673-L676 PolarHBondContact O-N 3.48Å; L676-M680 HydrophobicContact CD1-CE 3.57Å; L676-M680 HydrophobicContact CD2-CE 4.05Å; L676-M680 HydrophobicContact CG-CE 3.62Å; L676-M680 HydrophobicContact CG-SD 4.18Å; L676-M680 WeakPolarHBondContact O-CB 3.42Å; L676-M680 VanDerWaalsContact O-CG 3.22Å; L676-M680 WeakPolarHBondContact O-CG 3.33Å; L676-M680 PolarHBondContact O-N 3.37Å; L676-F695 HydrophobicContact CD1-CE1 4.44Å; L676-F695 HydrophobicContact CD1-CZ 4.07Å
677	N	86.6	Confident	84.9	Confident	38 Å²	38	50.7 Å²	50.7	20%	0.203	27%	0.27	C	S	.	.	H	α-helix	trans	-64.7	-46.4	177.6	-77.9	-43	0	0	0	112.4	R661 D673 D674 M675 L679 M680 D681	R661-N677 WeakPolarHBondContact CD-OD1 3.35Å; D673-N677 WeakPolarHBondContact O-CB 3.12Å; D673-N677 PolarHBondContact O-N 2.86Å; D673-N677 PolarHBondContact O-ND2 2.74Å; D673-N677 PolarHBondContact OD2-ND2 3.45Å; D674-N677 PolarHBondContact O-N 3.16Å; M675-N677 VanDerWaalsContact C-N 3.3Å; M675-N677 PolarHBondContact O-N 2.83Å; N677-L679 VanDerWaalsContact C-N 3.35Å; N677-L679 PolarHBondContact O-N 3.43Å; N677-M680 WeakPolarHBondContact O-CB 3.36Å; N677-M680 PolarHBondContact O-N 2.85Å; N677-D681 WeakPolarHBondContact O-CB 3.48Å; N677-D681 PolarHBondContact O-N 3.22Å
678	S	83.2	Confident	84.4	Confident	25 Å²	25	54 Å²	54	18%	0.175	29%	0.289	C	S	.	.	H	α-helix	trans	-65.5	-37.2	178.2	-63.4	0	0	0	0	112.5	D674 M675 D681 C682 I721	D674-S678 PolarHBondContact O-N 2.92Å; D674-S678 PolarHBondContact O-OG 3.43Å; M675-S678 PolarHBondContact O-N 2.85Å; S678-D681 PolarHBondContact O-N 3.49Å; S678-C682 PolarHBondContact O-N 3.09Å; S678-C682 VanDerWaalsContact O-N 3.08Å; S678-C682 PolarHBondContact O-SG 2.69Å; S678-I721 WeakPolarHBondContact OG-CD1 3.21Å
679	L	86.7	Confident	84.2	Confident	3 Å²	3	47.1 Å²	47.1	2%	0.016	26%	0.259	C	S	.	.	H	α-helix	trans	-63	-45	172.4	-75.4	167.4	0	0	0	111	L621 L622 A625 L671 M675 N677 C682 S683 F695 L699	L621-L679 HydrophobicContact CB-CD2 4.27Å; L621-L679 HydrophobicContact CD2-CB 4.48Å; L621-L679 HydrophobicContact CD2-CD2 3.74Å; L621-L679 HydrophobicContact CD2-CG 3.79Å; L621-L679 HydrophobicContact CG-CD2 3.68Å; L621-L679 HydrophobicContact CG-CG 3.91Å; L622-L679 HydrophobicContact CB-CD2 4.23Å; L622-L679 HydrophobicContact CG-CD2 4.41Å; A625-L679 HydrophobicContact CB-CD1 3.64Å; L671-L679 HydrophobicContact CD1-CD1 4.17Å; M675-L679 HydrophobicContact CG-CD1 4.23Å; M675-L679 WeakPolarHBondContact O-CB 3.48Å; M675-L679 VanDerWaalsContact O-CG 3.25Å; M675-L679 WeakPolarHBondContact O-CG 3.42Å; M675-L679 PolarHBondContact O-N 2.93Å; N677-L679 VanDerWaalsContact C-N 3.35Å; N677-L679 PolarHBondContact O-N 3.43Å; L679-C682 PolarHBondContact O-N 2.83Å; L679-S683 WeakPolarHBondContact O-CB 3.47Å; L679-S683 PolarHBondContact O-N 2.79Å; L679-S683 VanDerWaalsContact O-N 3.16Å; L679-S683 PolarHBondContact O-OG 2.81Å; L679-F695 HydrophobicContact CB-CE2 4.12Å; L679-F695 HydrophobicContact CB-CZ 4.47Å; L679-L699 HydrophobicContact CD1-CD2 4.13Å
680	M	87.1	Confident	84.1	Confident	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-60.1	-49.8	175.8	-76.2	173.5	-178.4	0	0	110.9	R657 I660 R661 L676 N677 C682 S683 V684 I690 F695	R657-M680 HydrophobicContact CG-CB 4.13Å; R657-M680 HydrophobicContact CG-SD 4Å; I660-M680 HydrophobicContact CB-CE 4.12Å; I660-M680 HydrophobicContact CG2-CE 3.7Å; R661-M680 VanDerWaalsContact CA-CE 3.49Å; R661-M680 HydrophobicContact CB-CE 3.78Å; R661-M680 HydrophobicContact CB-SD 3.79Å; R661-M680 HydrophobicContact CG-CE 4.46Å; R661-M680 HydrophobicContact CG-SD 4.4Å; L676-M680 HydrophobicContact CD1-CE 3.57Å; L676-M680 HydrophobicContact CD2-CE 4.05Å; L676-M680 HydrophobicContact CG-CE 3.62Å; L676-M680 HydrophobicContact CG-SD 4.18Å; L676-M680 WeakPolarHBondContact O-CB 3.42Å; L676-M680 VanDerWaalsContact O-CG 3.22Å; L676-M680 WeakPolarHBondContact O-CG 3.33Å; L676-M680 PolarHBondContact O-N 3.37Å; N677-M680 WeakPolarHBondContact O-CB 3.36Å; N677-M680 PolarHBondContact O-N 2.85Å; M680-C682 PolarHBondContact O-N 2.81Å; M680-S683 WeakPolarHBondContact CA-OG 3.45Å; M680-S683 CarbonylContact O-C 3.59Å; M680-S683 WeakPolarHBondContact O-CA 3.25Å; M680-S683 PolarHBondContact O-N 3.43Å; M680-S683 PolarHBondContact O-OG 2.9Å; M680-V684 WeakPolarHBondContact O-CG2 3.06Å; M680-V684 PolarHBondContact O-N 2.88Å; M680-I690 HydrophobicContact CB-CD1 3.82Å; M680-I690 HydrophobicContact CG-CD1 3.79Å; M680-F695 HydrophobicContact CE-CE1 4.3Å; M680-F695 HydrophobicContact CE-CZ 4.23Å; M680-F695 HydrophobicContact CG-CE2 4.26Å; M680-F695 HydrophobicContact CG-CZ 4.05Å
681	D	83.2	Confident	84.2	Confident	85 Å²	85	48.8 Å²	48.8	46%	0.455	26%	0.264	S	S	.	.	H	α-helix	trans	-55	-37.2	178.8	-77.1	-38.8	0	0	0	112.6	R657 N677 S678 S683	R657-D681 IonicContact CZ-OD1 3.43Å; R657-D681 IonicContact CZ-OD2 3.1Å; R657-D681 IonicContact NH1-OD1 3.46Å; R657-D681 PolarHBondContact NH1-OD1 3.42Å; R657-D681 IonicContact NH1-OD2 3.05Å; R657-D681 VanDerWaalsContact NH2-CG 3.34Å; R657-D681 IonicContact NH2-OD1 3.75Å; R657-D681 PolarHBondContact NH2-OD1 3.01Å; R657-D681 VanDerWaalsContact NH2-OD1 3.1Å; R657-D681 IonicContact NH2-OD2 2.68Å; R657-D681 PolarHBondContact NH2-OD2 2.96Å; N677-D681 WeakPolarHBondContact O-CB 3.48Å; N677-D681 PolarHBondContact O-N 3.22Å; S678-D681 PolarHBondContact O-N 3.49Å; D681-S683 VanDerWaalsContact C-N 3.34Å
682	C	80.2	Confident	84.3	Confident	61 Å²	61	48.5 Å²	48.5	41%	0.412	26%	0.262	S	S	.	.	H	α-helix	trans	-79.7	-14.3	176.6	-61.4	0	0	0	0	113.8	L618 S678 L679 M680	L618-C682 HydrophobicContact CB-CB 4.5Å; L618-C682 HydrophobicContact CD1-CB 3.31Å; L618-C682 HydrophobicContact CG-CB 4.42Å; S678-C682 PolarHBondContact O-N 3.09Å; S678-C682 VanDerWaalsContact O-N 3.08Å; S678-C682 PolarHBondContact O-SG 2.69Å; L679-C682 PolarHBondContact O-N 2.83Å; M680-C682 PolarHBondContact O-N 2.81Å
683	S	82	Confident	84.6	Confident	23 Å²	23	51 Å²	51	16%	0.161	27%	0.271	C	S	.	.	H	α-helix	trans	-106.2	0.4	-178.4	68.6	0	0	0	0	114.2	L679 M680 D681 N685	L679-S683 WeakPolarHBondContact O-CB 3.47Å; L679-S683 PolarHBondContact O-N 2.79Å; L679-S683 VanDerWaalsContact O-N 3.16Å; L679-S683 PolarHBondContact O-OG 2.81Å; M680-S683 WeakPolarHBondContact CA-OG 3.45Å; M680-S683 CarbonylContact O-C 3.59Å; M680-S683 WeakPolarHBondContact O-CA 3.25Å; M680-S683 PolarHBondContact O-N 3.43Å; M680-S683 PolarHBondContact O-OG 2.9Å; D681-S683 VanDerWaalsContact C-N 3.34Å; S683-N685 PolarHBondContact O-N 3.16Å
684	V	83.7	Confident	84.8	Confident	40 Å²	40	53 Å²	53	24%	0.242	28%	0.278	C	S	.	.			trans	-72.2	125.5	179.7	-178.1	0	0	0	0	110.3	M680 N688 I690	M680-V684 WeakPolarHBondContact O-CG2 3.06Å; M680-V684 PolarHBondContact O-N 2.88Å; V684-N688 VanDerWaalsContact CG1-CA 3.45Å; V684-N688 HydrophobicContact CG1-CB 4.4Å; V684-I690 HydrophobicContact CG2-CD1 4.27Å; V684-I690 HydrophobicContact CG2-CG1 4.12Å
685	N	80.3	Confident	85.3	Confident	56 Å²	56	51.3 Å²	51.3	30%	0.299	27%	0.269	S	S	.	.			trans	-74.1	168	171.4	-70.2	-10.3	0	0	0	110.9	E654 S683 N687 N688 S689 Q691	E654-N685 PolarHBondContact OE1-ND2 2.93Å; E654-N685 VanDerWaalsContact OE1-ND2 3.16Å; S683-N685 PolarHBondContact O-N 3.16Å; N685-N687 PolarHBondContact O-N 3.25Å; N685-N688 PolarHBondContact O-N 3.29Å; N685-S689 WeakPolarHBondContact CB-O 3.49Å; N685-S689 PolarHBondContact N-O 3.39Å; N685-Q691 PolarHBondContact ND2-NE2 3.12Å
686	Q	77.5	Confident	85.6	Confident	203 Å²	203	51.5 Å²	51.5	95%	0.949	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.9	-20.5	178.3	-66.7	178.6	-2.6	0	0	114.4
687	N	76.3	Confident	85.8	Confident	134 Å²	134	55.8 Å²	55.8	72%	0.717	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95.4	13.7	-179.6	-65.6	-12.9	0	0	0	114.6	N685 S689	N685-N687 PolarHBondContact O-N 3.25Å; N687-S689 PolarHBondContact O-N 3.22Å; N687-S689 VanDerWaalsContact O-N 3.14Å
688	N	80.7	Confident	85.9	Confident	120 Å²	120	55.6 Å²	55.6	64%	0.642	29%	0.287	S	S	*	.	S	Bend	trans	60.2	15.4	-172.9	-80.4	-13	0	0	0	115.2	V684 N685	V684-N688 VanDerWaalsContact CG1-CA 3.45Å; V684-N688 HydrophobicContact CG1-CB 4.4Å; N685-N688 PolarHBondContact O-N 3.29Å
689	S	86.6	Confident	86.2	Confident	13 Å²	13	54.6 Å²	54.6	9%	0.091	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.2	154.1	173.5	56.1	0	0	0	0	110.9	E654 N685 N687	E654-S689 WeakPolarHBondContact OE2-CB 3.23Å; E654-S689 PolarHBondContact OE2-OG 3.08Å; N685-S689 WeakPolarHBondContact CB-O 3.49Å; N685-S689 PolarHBondContact N-O 3.39Å; N687-S689 PolarHBondContact O-N 3.22Å; N687-S689 VanDerWaalsContact O-N 3.14Å
690	I	89.4	Confident	86.4	Confident	1 Å²	1	55.4 Å²	55.4	1%	0.005	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.9	135.2	173	-60.3	168.8	0	0	0	107.4	E654 M655 R657 I660 M680 V684 Y692 F695	E654-I690 WeakPolarHBondContact CA-O 3.44Å; M655-I690 PolarHBondContact N-O 3.14Å; M655-I690 PolarHBondContact O-N 2.91Å; R657-I690 HydrophobicContact CB-CD1 4.07Å; R657-I690 HydrophobicContact CG-CD1 4.37Å; I660-I690 HydrophobicContact CD1-CB 3.43Å; I660-I690 VanDerWaalsContact CD1-CB 3.43Å; I660-I690 HydrophobicContact CD1-CD1 4.1Å; I660-I690 HydrophobicContact CD1-CG1 4.27Å; I660-I690 HydrophobicContact CD1-CG2 3.73Å; M680-I690 HydrophobicContact CB-CD1 3.82Å; M680-I690 HydrophobicContact CG-CD1 3.79Å; V684-I690 HydrophobicContact CG2-CD1 4.27Å; V684-I690 HydrophobicContact CG2-CG1 4.12Å; I690-Y692 PolarHBondContact O-N 3.35Å; I690-F695 HydrophobicContact CG2-CB 3.82Å; I690-F695 HydrophobicContact CG2-CD2 4.24Å; I690-F695 HydrophobicContact CG2-CG 4.11Å
691	Q	91.6	Very high	86.4	Confident	73 Å²	73	58.1 Å²	58.1	34%	0.341	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	94.8	171.7	-73.3	173.6	-0.7	0	0	109.1	G653 E654 N685 E693 Q694 F695	G653-Q691 WeakPolarHBondContact O-CA 3.31Å; E654-Q691 HydrophobicContact CG-CG 3.8Å; E654-Q691 PolarHBondContact OE1-NE2 3.08Å; N685-Q691 PolarHBondContact ND2-NE2 3.12Å; Q691-E693 PolarHBondContact O-N 3.02Å; Q691-Q694 HydrophobicContact CB-CB 4.15Å; Q691-Q694 PolarHBondContact O-N 3.08Å; Q691-Q694 VanDerWaalsContact O-N 3.12Å; Q691-F695 PolarHBondContact O-N 3Å
692	Y	91.3	Very high	86.4	Confident	8 Å²	8	59.4 Å²	59.4	3%	0.031	30%	0.297	C	S	.	.	H	α-helix	trans	-62.9	-30.3	-170.1	62.1	-100.3	0	0	0	112.4	M641 C644 R645 D648 G653 M655 I690 I696	M641-Y692 HydrophobicContact SD-CD2 4.17Å; M641-Y692 HydrophobicContact SD-CE2 4.34Å; C644-Y692 HydrophobicContact CB-CD1 4.43Å; C644-Y692 HydrophobicContact CB-CD2 3.42Å; C644-Y692 VanDerWaalsContact CB-CD2 3.42Å; C644-Y692 HydrophobicContact CB-CE2 3.83Å; C644-Y692 HydrophobicContact CB-CG 3.77Å; R645-Y692 HydrophobicContact CG-CE2 4.1Å; D648-Y692 HydrophobicContact CB-CE1 3.94Å; D648-Y692 WeakPolarHBondContact OD2-CE1 3.43Å; D648-Y692 PolarHBondContact OD2-OH 3.07Å; G653-Y692 VanDerWaalsContact CA-CE1 3.44Å; G653-Y692 VanDerWaalsContact O-CD1 3.28Å; G653-Y692 WeakPolarHBondContact O-CD1 3.47Å; G653-Y692 WeakPolarHBondContact O-CE1 3.25Å; G653-Y692 PolarHBondContact O-N 2.95Å; M655-Y692 HydrophobicContact CB-CD1 3.96Å; M655-Y692 HydrophobicContact CE-CD1 4.49Å; I690-Y692 PolarHBondContact O-N 3.35Å; Y692-I696 WeakPolarHBondContact O-CB 3.47Å; Y692-I696 VanDerWaalsContact O-CG1 3.24Å; Y692-I696 WeakPolarHBondContact O-CG1 3.33Å; Y692-I696 PolarHBondContact O-N 3.23Å
693	E	91.2	Very high	86.6	Confident	83 Å²	83	61.9 Å²	61.9	39%	0.388	31%	0.306	S	S	.	.	H	α-helix	trans	-65	-45.7	176.2	-62.1	-158.9	142.5	0	0	111.2	M641 R645 Q691 H697	M641-E693 HydrophobicContact SD-CB 4.39Å; M641-E693 HydrophobicContact SD-CG 4.01Å; R645-E693 IonicContact CZ-OE1 3.52Å; R645-E693 IonicContact NE-OE1 3.37Å; R645-E693 PolarHBondContact NE-OE1 3.32Å; R645-E693 IonicContact NH2-OE1 2.78Å; R645-E693 PolarHBondContact NH2-OE1 3.03Å; Q691-E693 PolarHBondContact O-N 3.02Å; E693-H697 WeakPolarHBondContact O-CB 3.2Å; E693-H697 PolarHBondContact O-N 3.03Å
694	Q	90.3	Very high	86.5	Confident	101 Å²	101	64 Å²	64	47%	0.472	31%	0.312	S	S	.	.	H	α-helix	trans	-67.4	-44.2	176.9	-177.8	175	-14.7	0	0	111.3	Q691 H697 Q698	Q691-Q694 HydrophobicContact CB-CB 4.15Å; Q691-Q694 PolarHBondContact O-N 3.08Å; Q691-Q694 VanDerWaalsContact O-N 3.12Å; Q694-H697 PolarHBondContact O-N 2.95Å; Q694-Q698 HydrophobicContact CG-CG 4.4Å; Q694-Q698 WeakPolarHBondContact O-CB 3.38Å; Q694-Q698 VanDerWaalsContact O-CG 3.31Å; Q694-Q698 WeakPolarHBondContact O-CG 3.36Å; Q694-Q698 PolarHBondContact O-N 3.29Å
695	F	91.1	Very high	86.1	Confident	7 Å²	7	70.1 Å²	70.1	3%	0.031	34%	0.338	C	S	.	.	H	α-helix	trans	-59.8	-48.7	179.3	-178.1	-102.3	0	0	0	111.9	I660 L676 L679 M680 I690 Q691 Q698 L699	I660-F695 HydrophobicContact CG2-CD1 4.07Å; I660-F695 HydrophobicContact CG2-CE1 4.02Å; L676-F695 HydrophobicContact CD1-CE1 4.44Å; L676-F695 HydrophobicContact CD1-CZ 4.07Å; L679-F695 HydrophobicContact CB-CE2 4.12Å; L679-F695 HydrophobicContact CB-CZ 4.47Å; M680-F695 HydrophobicContact CE-CE1 4.3Å; M680-F695 HydrophobicContact CE-CZ 4.23Å; M680-F695 HydrophobicContact CG-CE2 4.26Å; M680-F695 HydrophobicContact CG-CZ 4.05Å; I690-F695 HydrophobicContact CG2-CB 3.82Å; I690-F695 HydrophobicContact CG2-CD2 4.24Å; I690-F695 HydrophobicContact CG2-CG 4.11Å; Q691-F695 PolarHBondContact O-N 3Å; F695-Q698 PolarHBondContact O-N 3.4Å; F695-L699 HydrophobicContact CD1-CD1 3.88Å; F695-L699 HydrophobicContact CE1-CD1 3.42Å; F695-L699 VanDerWaalsContact CE1-CD1 3.42Å; F695-L699 HydrophobicContact CE1-CG 4.42Å; F695-L699 HydrophobicContact CZ-CD1 3.81Å; F695-L699 WeakPolarHBondContact O-CG 3.43Å; F695-L699 PolarHBondContact O-N 2.94Å
696	I	91.3	Very high	85.5	Confident	5 Å²	5	68.4 Å²	68.4	3%	0.026	33%	0.329	C	S	.	.	H	α-helix	trans	-67.9	-37.1	177.9	-65.3	168.8	0	0	0	110.9	F637 L640 M641 C644 Y692 L699 N700	F637-I696 HydrophobicContact CB-CG2 4.11Å; F637-I696 HydrophobicContact CD1-CG2 4.26Å; L640-I696 HydrophobicContact CB-CD1 4.16Å; M641-I696 HydrophobicContact CE-CB 3.78Å; M641-I696 HydrophobicContact CE-CD1 4.36Å; M641-I696 HydrophobicContact CE-CG2 3.71Å; M641-I696 HydrophobicContact SD-CD1 4.11Å; C644-I696 HydrophobicContact CB-CD1 4.44Å; Y692-I696 WeakPolarHBondContact O-CB 3.47Å; Y692-I696 VanDerWaalsContact O-CG1 3.24Å; Y692-I696 WeakPolarHBondContact O-CG1 3.33Å; Y692-I696 PolarHBondContact O-N 3.23Å; I696-L699 PolarHBondContact O-N 3.13Å; I696-N700 PolarHBondContact O-N 2.85Å
697	H	90.9	Very high	84.9	Confident	93 Å²	93	67.4 Å²	67.4	43%	0.431	32%	0.322	S	S	.	.	H	α-helix	trans	-61.3	-45	175.6	-177.4	-88.9	0	0	0	111.7	E693 Q694 N700 F704	E693-H697 WeakPolarHBondContact O-CB 3.2Å; E693-H697 PolarHBondContact O-N 3.03Å; Q694-H697 PolarHBondContact O-N 2.95Å; H697-N700 PolarHBondContact O-N 2.92Å; H697-F704 AromaticContact CE1-CD2 3.75Å; H697-F704 AromaticContact ND1-CD2 3.82Å; H697-F704 VanDerWaalsContact O-CB 3.3Å; H697-F704 WeakPolarHBondContact O-CB 3.22Å
698	Q	89.2	Confident	84.1	Confident	33 Å²	33	64.1 Å²	64.1	15%	0.154	30%	0.303	C	S	.	.	H	α-helix	trans	-65.1	-38.9	176.7	-72.2	176.8	-15.5	0	0	111.9	L622 Q626 Q694 F695 N700 F704	L622-Q698 HydrophobicContact CD1-CB 3.89Å; L622-Q698 HydrophobicContact CD1-CG 4.38Å; L622-Q698 HydrophobicContact CD2-CB 4.17Å; L622-Q698 WeakPolarHBondContact CD2-O 3.44Å; L622-Q698 HydrophobicContact CG-CB 4.49Å; Q626-Q698 PolarHBondContact NE2-O 2.99Å; Q694-Q698 HydrophobicContact CG-CG 4.4Å; Q694-Q698 WeakPolarHBondContact O-CB 3.38Å; Q694-Q698 VanDerWaalsContact O-CG 3.31Å; Q694-Q698 WeakPolarHBondContact O-CG 3.36Å; Q694-Q698 PolarHBondContact O-N 3.29Å; F695-Q698 PolarHBondContact O-N 3.4Å; Q698-N700 PolarHBondContact O-N 3.39Å; Q698-F704 HydrophobicContact CB-CD1 4.37Å; Q698-F704 HydrophobicContact CB-CE1 4.47Å; Q698-F704 HydrophobicContact CG-CD1 4.48Å; Q698-F704 HydrophobicContact CG-CE1 4.24Å; Q698-F704 HydrophobicContact CG-CZ 4.34Å
699	L	90.1	Very high	83	Confident	4 Å²	4	59.8 Å²	59.8	2%	0.021	28%	0.279	C	S	.	.	H	α-helix	trans	-66.9	-24.5	175.8	-74.2	175.9	0	0	0	113.8	A625 L629 F637 L669 L671 L679 F695 I696 W701	A625-L699 HydrophobicContact CB-CD2 4.22Å; L629-L699 HydrophobicContact CD1-CB 4.27Å; L629-L699 HydrophobicContact CD1-CD2 4.2Å; F637-L699 HydrophobicContact CE1-CB 4.07Å; F637-L699 WeakPolarHBondContact CZ-O 3.44Å; L669-L699 HydrophobicContact CD2-CD1 4.36Å; L671-L699 HydrophobicContact CD1-CD2 4.06Å; L679-L699 HydrophobicContact CD1-CD2 4.13Å; F695-L699 HydrophobicContact CD1-CD1 3.88Å; F695-L699 HydrophobicContact CE1-CD1 3.42Å; F695-L699 VanDerWaalsContact CE1-CD1 3.42Å; F695-L699 HydrophobicContact CE1-CG 4.42Å; F695-L699 HydrophobicContact CZ-CD1 3.81Å; F695-L699 WeakPolarHBondContact O-CG 3.43Å; F695-L699 PolarHBondContact O-N 2.94Å; I696-L699 PolarHBondContact O-N 3.13Å; L699-W701 PolarHBondContact O-N 3.4Å
700	N	90.5	Very high	81.4	Confident	21 Å²	21	63 Å²	63	11%	0.112	30%	0.302	C	S	.	.			trans	-73.4	93.6	-176.8	-172.8	-12.5	0	0	0	111.6	F637 I696 H697 Q698 K702 N703 F704	F637-N700 HydrophobicContact CD1-CB 4.24Å; F637-N700 HydrophobicContact CD2-CB 3.98Å; F637-N700 HydrophobicContact CE1-CB 4.44Å; F637-N700 HydrophobicContact CE2-CB 4.19Å; F637-N700 HydrophobicContact CG-CB 4.01Å; F637-N700 HydrophobicContact CZ-CB 4.41Å; I696-N700 PolarHBondContact O-N 2.85Å; H697-N700 PolarHBondContact O-N 2.92Å; Q698-N700 PolarHBondContact O-N 3.39Å; N700-K702 PolarHBondContact O-N 3.4Å; N700-K702 VanDerWaalsContact O-N 3.08Å; N700-K702 WeakPolarHBondContact OD1-CB 3.06Å; N700-K702 PolarHBondContact OD1-N 3.4Å; N700-K702 VanDerWaalsContact OD1-N 3.08Å; N700-N703 HydrophobicContact CB-CB 4.43Å; N700-N703 PolarHBondContact ND2-ND2 3.4Å; N700-N703 PolarHBondContact O-N 3.2Å; N700-F704 PolarHBondContact O-N 2.92Å
701	W	86.8	Confident	79.7	Confident	57 Å²	57	70.2 Å²	70.2	22%	0.216	34%	0.34	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.6	-14.4	-179.8	62	-95.3	0	0	0	114.7	Q626 R630 F634 E635 F637 L699	Q626-W701 HydrophobicContact CB-CB 3.87Å; Q626-W701 HydrophobicContact CG-CB 4.14Å; R630-W701 HydrophobicContact CB-CD2 3.86Å; R630-W701 HydrophobicContact CB-CE3 4.18Å; R630-W701 HydrophobicContact CB-CG 4.08Å; R630-W701 HydrophobicContact CG-CD2 4.08Å; R630-W701 HydrophobicContact CG-CE3 3.9Å; R630-W701 HydrophobicContact CG-CH2 4.31Å; R630-W701 HydrophobicContact CG-CZ2 4.47Å; R630-W701 HydrophobicContact CG-CZ3 4.02Å; F634-W701 PolarHBondContact O-NE1 3.45Å; E635-W701 HydrophobicContact CG-CZ2 3.9Å; F637-W701 AromaticContact CE2-CD1 3.92Å; F637-W701 AromaticContact CE2-NE1 3.88Å; F637-W701 AromaticContact CZ-CD1 3.81Å; L699-W701 PolarHBondContact O-N 3.4Å
702	K	84.4	Confident	77.9	Confident	112 Å²	112	71.2 Å²	71.2	49%	0.487	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-31.5	172.8	-71.5	-171.9	174.4	-178	0	112.8	E635 N700	E635-K702 VanDerWaalsContact CD-CE 3.42Å; E635-K702 WeakPolarHBondContact OE1-CE 3.4Å; E635-K702 IonicContact OE1-NZ 3.64Å; E635-K702 PolarHBondContact OE1-NZ 3.06Å; E635-K702 IonicContact OE2-NZ 3.61Å; E635-K702 PolarHBondContact OE2-NZ 3.1Å; N700-K702 PolarHBondContact O-N 3.4Å; N700-K702 VanDerWaalsContact O-N 3.08Å; N700-K702 WeakPolarHBondContact OD1-CB 3.06Å; N700-K702 PolarHBondContact OD1-N 3.4Å; N700-K702 VanDerWaalsContact OD1-N 3.08Å
703	N	82.6	Confident	76.1	Confident	113 Å²	113	76.1 Å²	76.1	60%	0.604	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-109.4	-20	-169.7	-67.3	1.3	0	0	0	113.1	N700	N700-N703 HydrophobicContact CB-CB 4.43Å; N700-N703 PolarHBondContact ND2-ND2 3.4Å; N700-N703 PolarHBondContact O-N 3.2Å
704	F	81.6	Confident	74.5	Confident	68 Å²	68	74.4 Å²	74.4	30%	0.298	37%	0.365	S	S	.	.			trans	-126.8	114.2	-179.7	-170.1	-101.5	0	0	0	110.2	L622 Q626 H697 Q698 N700 T706	L622-F704 HydrophobicContact CD2-CD1 4.25Å; L622-F704 HydrophobicContact CD2-CE1 4.2Å; Q626-F704 PolarHBondContact NE2-O 3.19Å; H697-F704 AromaticContact CE1-CD2 3.75Å; H697-F704 AromaticContact ND1-CD2 3.82Å; H697-F704 VanDerWaalsContact O-CB 3.3Å; H697-F704 WeakPolarHBondContact O-CB 3.22Å; Q698-F704 HydrophobicContact CB-CD1 4.37Å; Q698-F704 HydrophobicContact CB-CE1 4.47Å; Q698-F704 HydrophobicContact CG-CD1 4.48Å; Q698-F704 HydrophobicContact CG-CE1 4.24Å; Q698-F704 HydrophobicContact CG-CZ 4.34Å; N700-F704 PolarHBondContact O-N 2.92Å; F704-T706 HydrophobicContact CD1-CG2 4.3Å; F704-T706 HydrophobicContact CE1-CG2 3.87Å
705	E	73.6	Confident	73.1	Confident	167 Å²	167	70.8 Å²	70.8	78%	0.78	35%	0.348	S	S	*	.			trans	-99.3	118.3	177.3	-168.7	170.8	-160.1	0	0	110.2
706	T	68.8	Low	71.7	Confident	20 Å²	20	73.1 Å²	73.1	12%	0.123	36%	0.361	C	S	.	.			trans	-79.6	116.7	173.1	36.3	0	0	0	0	110.2	L622 G623 Q626 F704 E708	L622-T706 HydrophobicContact CB-CG2 4.46Å; L622-T706 HydrophobicContact CD2-CG2 3.62Å; G623-T706 WeakPolarHBondContact CA-OG1 3.39Å; Q626-T706 PolarHBondContact OE1-OG1 3.42Å; F704-T706 HydrophobicContact CD1-CG2 4.3Å; F704-T706 HydrophobicContact CE1-CG2 3.87Å; T706-E708 VanDerWaalsContact C-N 3.31Å; T706-E708 PolarHBondContact O-N 3.39Å
707	K	65.5	Low	70.4	Confident	182 Å²	182	75.5 Å²	75.5	79%	0.791	37%	0.37	S	S	*	.	G	3₁₀ helix	trans	-64.8	-29.7	-174	-69.1	-177.8	179.9	177.5	0	113.7	L709 S710	K707-L709 PolarHBondContact O-N 3.47Å; K707-S710 PolarHBondContact O-N 2.96Å; K707-S710 PolarHBondContact O-OG 3.47Å
708	E	59	Low	69.1	Low	66 Å²	66	75 Å²	75	31%	0.308	37%	0.369	S	S	.	.	G	3₁₀ helix	trans	-69.9	-29	-172.8	-74.5	-161.8	145.7	0	0	114.7	E619 T706	E619-E708 HydrophobicContact CB-CG 4.36Å; E619-E708 VanDerWaalsContact CB-OE2 3.31Å; E619-E708 WeakPolarHBondContact CB-OE2 3.44Å; E619-E708 WeakPolarHBondContact OE2-CG 3.26Å; T706-E708 VanDerWaalsContact C-N 3.31Å; T706-E708 PolarHBondContact O-N 3.39Å
709	L	57.9	Low	67.7	Low	28 Å²	28	75.6 Å²	75.6	15%	0.147	39%	0.385	C	S	.	.	G	3₁₀ helix	trans	-84.2	-11.7	179.7	-102.1	134.3	0	0	0	114.2	I624 K707 N711 Q712 F715	I624-L709 HydrophobicContact CG1-CD1 4.4Å; K707-L709 PolarHBondContact O-N 3.47Å; L709-N711 PolarHBondContact O-N 2.89Å; L709-N711 VanDerWaalsContact O-N 3.11Å; L709-Q712 PolarHBondContact O-N 3.25Å; L709-F715 HydrophobicContact CD2-CD2 4.47Å
710	S	52.8	Low	66.4	Low	82 Å²	82	78.1 Å²	78.1	57%	0.573	40%	0.399	S	S	*	.	G	3₁₀ helix	trans	-61.4	-20.7	176.1	64.8	0	0	0	0	113.2	K707	K707-S710 PolarHBondContact O-N 2.96Å; K707-S710 PolarHBondContact O-OG 3.47Å
711	N	53.1	Low	64.9	Low	151 Å²	151	77.3 Å²	77.3	81%	0.807	39%	0.394	S	S	*	.	G	3₁₀ helix	trans	-112.3	2.6	-179.7	-73.9	-25.5	0	0	0	114.6	L709	L709-N711 PolarHBondContact O-N 2.89Å; L709-N711 VanDerWaalsContact O-N 3.11Å
712	Q	53.4	Low	63.3	Low	95 Å²	95	79.6 Å²	79.6	44%	0.444	41%	0.41	S	S	.	.	S	Bend	trans	-118.4	142	-176.1	-70.7	-168.8	-17.2	0	0	112.6	L709 S714 F715	L709-Q712 PolarHBondContact O-N 3.25Å; Q712-S714 PolarHBondContact O-N 3.47Å; Q712-F715 HydrophobicContact CB-CE2 4.16Å
713	E	55.1	Low	61.8	Low	111 Å²	111	79 Å²	79	52%	0.519	41%	0.412	S	S	.	.	P	Polyproline II helix	trans	-53.7	135.6	175.2	-69.1	171.1	162.7	0	0	110.3	F715	E713-F715 WeakPolarHBondContact O-CD2 3.23Å; E713-F715 VanDerWaalsContact O-CE2 3.23Å; E713-F715 WeakPolarHBondContact O-CE2 3.44Å; E713-F715 PolarHBondContact O-N 3.38Å
714	S	55.7	Low	60.3	Low	47 Å²	47	75.3 Å²	75.3	33%	0.329	39%	0.392	S	S	.	.	P	Polyproline II helix	trans	-51.7	127.1	177.2	45.6	0	0	0	0	111	Q712 I728	Q712-S714 PolarHBondContact O-N 3.47Å; S714-I728 WeakPolarHBondContact O-CD1 3.31Å; S714-I728 WeakPolarHBondContact OG-CD1 3.47Å
715	F	61.9	Low	58.8	Low	24 Å²	24	72 Å²	72	11%	0.105	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	147.3	176.8	-63.9	-77.4	0	0	0	110.7	I624 Q627 L709 Q712 E713 W725 K735	I624-F715 HydrophobicContact CD1-CB 4.2Å; I624-F715 HydrophobicContact CG1-CB 4.38Å; Q627-F715 PolarHBondContact NE2-O 3.14Å; L709-F715 HydrophobicContact CD2-CD2 4.47Å; Q712-F715 HydrophobicContact CB-CE2 4.16Å; E713-F715 WeakPolarHBondContact O-CD2 3.23Å; E713-F715 VanDerWaalsContact O-CE2 3.23Å; E713-F715 WeakPolarHBondContact O-CE2 3.44Å; E713-F715 PolarHBondContact O-N 3.38Å; F715-W725 HydrophobicContact CB-CB 4.48Å; F715-W725 HydrophobicContact CB-CE3 4.33Å; F715-W725 HydrophobicContact CD1-CB 4.4Å; F715-K735 HydrophobicContact CE1-CB 4.5Å; F715-K735 HydrophobicContact CE1-CD 4.21Å
716	D	61.5	Low	57.7	Low	56 Å²	56	67.9 Å²	67.9	30%	0.299	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	133.8	171.4	-94.3	-38.3	0	0	0	112.3	R631 W725 L726 I728	R631-D716 IonicContact CZ-OD1 2.62Å; R631-D716 IonicContact CZ-OD2 3.01Å; R631-D716 IonicContact NH1-OD1 2.75Å; R631-D716 PolarHBondContact NH1-OD1 2.58Å; R631-D716 IonicContact NH1-OD2 3.78Å; R631-D716 PolarHBondContact NH1-OD2 3.45Å; D716-W725 VanDerWaalsContact O-CE3 3.23Å; D716-L726 PolarHBondContact N-O 3.28Å; D716-L726 VanDerWaalsContact N-O 3.14Å; D716-L726 PolarHBondContact O-N 3.24Å; D716-I728 WeakPolarHBondContact OD2-CG1 3.43Å
717	Y	64.2	Low	56.7	Low	55 Å²	55	67.3 Å²	67.3	22%	0.216	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	123.5	178.9	178.9	-110.7	0	0	0	111.3	P672 D674 M675 G719 N720 I721 W725	P672-Y717 HydrophobicContact CB-CD1 3.94Å; P672-Y717 HydrophobicContact CB-CE1 3.3Å; P672-Y717 HydrophobicContact CG-CD1 3.24Å; P672-Y717 HydrophobicContact CG-CE1 3.17Å; P672-Y717 HydrophobicContact CG-CG 4.02Å; D674-Y717 VanDerWaalsContact OD1-CZ 3.27Å; D674-Y717 PolarHBondContact OD1-OH 3.31Å; D674-Y717 WeakPolarHBondContact OD2-CE2 3.4Å; D674-Y717 VanDerWaalsContact OD2-CZ 3.25Å; D674-Y717 PolarHBondContact OD2-OH 2.63Å; M675-Y717 HydrophobicContact CE-CD1 4.49Å; M675-Y717 HydrophobicContact CE-CD2 3.95Å; M675-Y717 HydrophobicContact CE-CG 3.87Å; Y717-G719 VanDerWaalsContact CE1-N 3.31Å; Y717-G719 WeakPolarHBondContact OH-CA 3.3Å; Y717-G719 PolarHBondContact OH-O 2.95Å; Y717-N720 PolarHBondContact OH-N 3.02Å; Y717-I721 HydrophobicContact CE2-CG1 4.17Å; Y717-W725 HydrophobicContact CD2-CD2 4.48Å; Y717-W725 AromaticContact CD2-CE2 3.98Å; Y717-W725 HydrophobicContact CD2-CE3 4.36Å; Y717-W725 AromaticContact CD2-CH2 3.16Å; Y717-W725 HydrophobicContact CD2-CH2 3.16Å; Y717-W725 AromaticContact CD2-CZ2 3.33Å; Y717-W725 HydrophobicContact CD2-CZ2 3.33Å; Y717-W725 AromaticContact CD2-CZ3 3.71Å; Y717-W725 HydrophobicContact CD2-CZ3 3.71Å; Y717-W725 HydrophobicContact CE2-CH2 4.19Å; Y717-W725 HydrophobicContact CE2-CZ2 4.05Å; Y717-W725 AromaticContact CG-CH2 3.7Å; Y717-W725 HydrophobicContact CG-CH2 3.7Å; Y717-W725 HydrophobicContact CG-CZ2 4.3Å; Y717-W725 AromaticContact CG-CZ3 3.87Å; Y717-W725 HydrophobicContact CG-CZ3 3.87Å; Y717-W725 VanDerWaalsContact N-CZ3 3.26Å
718	I	63.7	Low	56	Low	82 Å²	82	62.1 Å²	62.1	42%	0.421	34%	0.337	S	S	.	.			trans	-104.4	14.1	-179.1	-29.1	170.5	0	0	0	113.4	D724 L726 P734	I718-D724 VanDerWaalsContact CD1-C 3.48Å; I718-D724 HydrophobicContact CD1-CB 4.09Å; I718-D724 WeakPolarHBondContact CD1-O 3.49Å; I718-D724 WeakPolarHBondContact CG1-O 3.42Å; I718-L726 HydrophobicContact CD1-CB 3.83Å; I718-L726 HydrophobicContact CD1-CD1 3.66Å; I718-L726 HydrophobicContact CD1-CG 3.43Å; I718-L726 VanDerWaalsContact CD1-CG 3.43Å; I718-L726 VanDerWaalsContact CD1-N 3.32Å; I718-L726 HydrophobicContact CG1-CB 4.05Å; I718-L726 HydrophobicContact CG1-CD1 4.07Å; I718-L726 HydrophobicContact CG1-CG 4.09Å; I718-L726 HydrophobicContact CG2-CD1 4.25Å; I718-P734 HydrophobicContact CD1-CB 4.14Å
719	G	60.8	Low	55.5	Low	47 Å²	47	61.3 Å²	61.3	49%	0.485	34%	0.338	S	S	.	.	S	Bend	trans	103	1.7	174.3	0	0	0	0	0	116.1	Y717	Y717-G719 VanDerWaalsContact CE1-N 3.31Å; Y717-G719 WeakPolarHBondContact OH-CA 3.3Å; Y717-G719 PolarHBondContact OH-O 2.95Å
720	N	60.8	Low	55	Low	57 Å²	57	70.5 Å²	70.5	31%	0.305	38%	0.377	S	S	.	.			trans	-157.1	123.8	170.4	-165.7	-20.3	0	0	0	111.7	Y717 D722 I723	Y717-N720 PolarHBondContact OH-N 3.02Å; N720-D722 PolarHBondContact O-N 2.98Å; N720-D722 WeakPolarHBondContact OD1-CB 3.46Å; N720-D722 PolarHBondContact OD1-N 3.29Å; N720-D722 VanDerWaalsContact OD1-N 3.08Å; N720-I723 HydrophobicContact CB-CB 3.87Å; N720-I723 HydrophobicContact CB-CD1 4.5Å; N720-I723 HydrophobicContact CB-CG1 4.2Å; N720-I723 VanDerWaalsContact ND2-CD1 3.25Å; N720-I723 WeakPolarHBondContact ND2-CD1 3.41Å; N720-I723 WeakPolarHBondContact ND2-CG1 3.49Å; N720-I723 CarbonylContact O-C 3.49Å; N720-I723 VanDerWaalsContact O-C 3.22Å; N720-I723 PolarHBondContact O-N 2.99Å
721	I	58.9	Low	55	Low	4 Å²	4	70.2 Å²	70.2	2%	0.021	39%	0.387	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64.1	-32.4	179.1	-65	151.8	0	0	0	111.9	I616 L621 D674 M675 S678 Y717 I723 W725	I616-I721 HydrophobicContact CD1-CG2 3.72Å; I616-I721 HydrophobicContact CG1-CG2 4.49Å; L621-I721 HydrophobicContact CD1-CD1 4.38Å; L621-I721 HydrophobicContact CD1-CG1 4.4Å; L621-I721 HydrophobicContact CD1-CG2 4.38Å; D674-I721 HydrophobicContact CB-CD1 4.07Å; D674-I721 VanDerWaalsContact O-CD1 3.24Å; D674-I721 WeakPolarHBondContact O-CD1 3.31Å; D674-I721 PolarHBondContact OD2-N 3.38Å; M675-I721 HydrophobicContact CB-CD1 4.2Å; S678-I721 WeakPolarHBondContact OG-CD1 3.21Å; Y717-I721 HydrophobicContact CE2-CG1 4.17Å; I721-I723 VanDerWaalsContact C-N 3.28Å; I721-W725 HydrophobicContact CG1-CZ2 4.17Å
722	D	54.5	Low	54.9	Low	104 Å²	104	66.6 Å²	66.6	56%	0.556	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-18.9	175.7	-70.4	-25.4	0	0	0	112.3	N720 L739	N720-D722 PolarHBondContact O-N 2.98Å; N720-D722 WeakPolarHBondContact OD1-CB 3.46Å; N720-D722 PolarHBondContact OD1-N 3.29Å; N720-D722 VanDerWaalsContact OD1-N 3.08Å; D722-L739 WeakPolarHBondContact O-CD1 3.49Å
723	I	52.4	Low	54.6	Low	101 Å²	101	67 Å²	67	52%	0.518	38%	0.377	S	S	.	.	S	Bend	trans	-130.8	99	-172.6	-47	176.5	0	0	0	109.4	N720 I721	N720-I723 HydrophobicContact CB-CB 3.87Å; N720-I723 HydrophobicContact CB-CD1 4.5Å; N720-I723 HydrophobicContact CB-CG1 4.2Å; N720-I723 VanDerWaalsContact ND2-CD1 3.25Å; N720-I723 WeakPolarHBondContact ND2-CD1 3.41Å; N720-I723 WeakPolarHBondContact ND2-CG1 3.49Å; N720-I723 CarbonylContact O-C 3.49Å; N720-I723 VanDerWaalsContact O-C 3.22Å; N720-I723 PolarHBondContact O-N 2.99Å; I721-I723 VanDerWaalsContact C-N 3.28Å
724	D	50.8	Low	54.3	Low	34 Å²	34	63.3 Å²	63.3	18%	0.182	36%	0.363	C	S	.	.			trans	60.8	123	153.8	-76.2	-14.5	0	0	0	117.5	I718 P734 K741	I718-D724 VanDerWaalsContact CD1-C 3.48Å; I718-D724 HydrophobicContact CD1-CB 4.09Å; I718-D724 WeakPolarHBondContact CD1-O 3.49Å; I718-D724 WeakPolarHBondContact CG1-O 3.42Å; D724-P734 HydrophobicContact CB-CB 3.61Å; D724-P734 HydrophobicContact CB-CG 4.35Å; D724-K741 WeakPolarHBondContact OD1-CE 3.39Å; D724-K741 IonicContact OD1-NZ 2.74Å; D724-K741 PolarHBondContact OD1-NZ 3.45Å; D724-K741 VanDerWaalsContact OD2-CE 3.23Å; D724-K741 WeakPolarHBondContact OD2-CE 3.28Å; D724-K741 IonicContact OD2-NZ 2.9Å; D724-K741 PolarHBondContact OD2-NZ 3.35Å
725	W	50.9	Low	54	Low	0 Å²	0	66.2 Å²	66.2	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	129.1	169.8	-63.1	69.7	0	0	0	108.8	I624 M675 F715 D716 Y717 I721 P727 P734 K735 I737	I624-W725 HydrophobicContact CB-CZ3 4.42Å; I624-W725 HydrophobicContact CD1-CD2 4.43Å; I624-W725 HydrophobicContact CD1-CE3 4.13Å; I624-W725 HydrophobicContact CD1-CH2 4.27Å; I624-W725 HydrophobicContact CD1-CZ3 4.07Å; I624-W725 HydrophobicContact CG2-CE3 4.15Å; I624-W725 HydrophobicContact CG2-CH2 3.34Å; I624-W725 HydrophobicContact CG2-CZ2 4.43Å; I624-W725 HydrophobicContact CG2-CZ3 3.17Å; M675-W725 HydrophobicContact CE-CH2 3.49Å; M675-W725 VanDerWaalsContact CE-CH2 3.49Å; M675-W725 HydrophobicContact CE-CZ2 4.46Å; M675-W725 HydrophobicContact CE-CZ3 4.21Å; F715-W725 HydrophobicContact CB-CB 4.48Å; F715-W725 HydrophobicContact CB-CE3 4.33Å; F715-W725 HydrophobicContact CD1-CB 4.4Å; D716-W725 VanDerWaalsContact O-CE3 3.23Å; Y717-W725 HydrophobicContact CD2-CD2 4.48Å; Y717-W725 AromaticContact CD2-CE2 3.98Å; Y717-W725 HydrophobicContact CD2-CE3 4.36Å; Y717-W725 AromaticContact CD2-CH2 3.16Å; Y717-W725 HydrophobicContact CD2-CH2 3.16Å; Y717-W725 AromaticContact CD2-CZ2 3.33Å; Y717-W725 HydrophobicContact CD2-CZ2 3.33Å; Y717-W725 AromaticContact CD2-CZ3 3.71Å; Y717-W725 HydrophobicContact CD2-CZ3 3.71Å; Y717-W725 HydrophobicContact CE2-CH2 4.19Å; Y717-W725 HydrophobicContact CE2-CZ2 4.05Å; Y717-W725 AromaticContact CG-CH2 3.7Å; Y717-W725 HydrophobicContact CG-CH2 3.7Å; Y717-W725 HydrophobicContact CG-CZ2 4.3Å; Y717-W725 AromaticContact CG-CZ3 3.87Å; Y717-W725 HydrophobicContact CG-CZ3 3.87Å; Y717-W725 VanDerWaalsContact N-CZ3 3.26Å; I721-W725 HydrophobicContact CG1-CZ2 4.17Å; W725-P727 WeakPolarHBondContact O-CD 3.41Å; W725-P734 CarbonylContact O-C 3.22Å; W725-P734 WeakPolarHBondContact O-CA 3.2Å; W725-K735 WeakPolarHBondContact CA-O 3.3Å; W725-K735 VanDerWaalsContact CB-O 3.22Å; W725-K735 WeakPolarHBondContact CB-O 3.47Å; W725-K735 PolarHBondContact N-O 2.99Å; W725-K735 PolarHBondContact O-N 3.33Å; W725-I737 HydrophobicContact CD2-CD1 3.86Å; W725-I737 HydrophobicContact CD2-CG1 4.43Å; W725-I737 HydrophobicContact CG-CD1 4.14Å; W725-I737 HydrophobicContact CG-CG1 4.2Å; W725-I737 HydrophobicContact CH2-CD1 4.33Å; W725-I737 HydrophobicContact CZ2-CD1 3.56Å; W725-I737 VanDerWaalsContact NE1-CD1 3.28Å
726	L	50	Low	53.4	Low	79 Å²	79	65.8 Å²	65.8	41%	0.414	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	128.9	-178.9	-93.9	158.6	0	0	0	108	D716 I718 P734	D716-L726 PolarHBondContact N-O 3.28Å; D716-L726 VanDerWaalsContact N-O 3.14Å; D716-L726 PolarHBondContact O-N 3.24Å; I718-L726 HydrophobicContact CD1-CB 3.83Å; I718-L726 HydrophobicContact CD1-CD1 3.66Å; I718-L726 HydrophobicContact CD1-CG 3.43Å; I718-L726 VanDerWaalsContact CD1-CG 3.43Å; I718-L726 VanDerWaalsContact CD1-N 3.32Å; I718-L726 HydrophobicContact CG1-CB 4.05Å; I718-L726 HydrophobicContact CG1-CD1 4.07Å; I718-L726 HydrophobicContact CG1-CG 4.09Å; I718-L726 HydrophobicContact CG2-CD1 4.25Å; L726-P734 HydrophobicContact CD2-CB 4.42Å; L726-P734 HydrophobicContact CD2-CG 4.32Å; L726-P734 HydrophobicContact CG-CB 4.34Å
727	P	48.5	Very low	52.9	Low	9 Å²	9	64.7 Å²	64.7	6%	0.058	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.2	143.8	162.1	-17.9	32.8	0	0	0	108.8	W725 S729 D732	W725-P727 WeakPolarHBondContact O-CD 3.41Å; P727-S729 WeakPolarHBondContact CB-OG 3.22Å; P727-S729 PolarHBondContact O-N 2.7Å; P727-D732 HydrophobicContact CB-CB 3.74Å; P727-D732 HydrophobicContact CG-CB 3.55Å
728	I	49.6	Very low	52	Low	73 Å²	73	63 Å²	63	37%	0.374	36%	0.363	S	S	.	.	S	Bend	trans	-69.1	-19.8	178	-75.1	148.5	0	0	0	112.1	S714 D716 K730	S714-I728 WeakPolarHBondContact O-CD1 3.31Å; S714-I728 WeakPolarHBondContact OG-CD1 3.47Å; D716-I728 WeakPolarHBondContact OD2-CG1 3.43Å; I728-K730 PolarHBondContact O-N 2.82Å; I728-K730 VanDerWaalsContact O-N 3.1Å
729	S	49.7	Very low	50.9	Low	48 Å²	48	62.9 Å²	62.9	34%	0.336	36%	0.362	S	S	.	.	S	Bend	trans	-64.7	105.8	167.1	29.9	0	0	0	0	110.3	P727 G731 D732	P727-S729 WeakPolarHBondContact CB-OG 3.22Å; P727-S729 PolarHBondContact O-N 2.7Å; S729-G731 PolarHBondContact O-N 2.91Å; S729-D732 VanDerWaalsContact CB-OD2 3.23Å; S729-D732 WeakPolarHBondContact CB-OD2 3.28Å; S729-D732 PolarHBondContact O-N 3.26Å; S729-D732 VanDerWaalsContact O-N 3.15Å; S729-D732 PolarHBondContact OG-OD2 2.74Å
730	K	46.5	Very low	49.7	Very low	221 Å²	221	64.1 Å²	64.1	96%	0.961	36%	0.363	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.9	102.7	168.5	-85	-175.2	175.9	178	0	109.7	I728	I728-K730 PolarHBondContact O-N 2.82Å; I728-K730 VanDerWaalsContact O-N 3.1Å
731	G	53	Low	48.8	Very low	76 Å²	76	66.5 Å²	66.5	78%	0.784	37%	0.371	S	S	*	.	T	Hydrogen-bonded Turn	trans	137.8	-24	177.1	0	0	0	0	0	113.3	S729	S729-G731 PolarHBondContact O-N 2.91Å
732	D	50.8	Low	48	Very low	75 Å²	75	72.6 Å²	72.6	40%	0.401	40%	0.397	S	S	.	.	S	Bend	trans	-83.6	140.9	-178.3	-66.5	-30.9	0	0	0	111.5	P727 S729	P727-D732 HydrophobicContact CB-CB 3.74Å; P727-D732 HydrophobicContact CG-CB 3.55Å; S729-D732 VanDerWaalsContact CB-OD2 3.23Å; S729-D732 WeakPolarHBondContact CB-OD2 3.28Å; S729-D732 PolarHBondContact O-N 3.26Å; S729-D732 VanDerWaalsContact O-N 3.15Å; S729-D732 PolarHBondContact OG-OD2 2.74Å
733	T	47.4	Very low	47.8	Very low	104 Å²	104	71.7 Å²	71.7	64%	0.638	40%	0.399	S	S	*	.	P	Polyproline II helix	trans	-66.6	137.3	-179.2	50.7	0	0	0	0	110.3	K735	T733-K735 PolarHBondContact O-N 3.38Å
734	P	48.5	Very low	48.2	Very low	33 Å²	33	73.6 Å²	73.6	21%	0.214	40%	0.404	C	S	.	.	P	Polyproline II helix	trans	-53.5	126.9	174.2	5.7	-13.6	0	0	0	111.3	I718 D724 W725 L726 K741	I718-P734 HydrophobicContact CD1-CB 4.14Å; D724-P734 HydrophobicContact CB-CB 3.61Å; D724-P734 HydrophobicContact CB-CG 4.35Å; W725-P734 CarbonylContact O-C 3.22Å; W725-P734 WeakPolarHBondContact O-CA 3.2Å; L726-P734 HydrophobicContact CD2-CB 4.42Å; L726-P734 HydrophobicContact CD2-CG 4.32Å; L726-P734 HydrophobicContact CG-CB 4.34Å; P734-K741 PolarHBondContact O-NZ 2.78Å
735	K	49.3	Very low	49.1	Very low	109 Å²	109	73.7 Å²	73.7	47%	0.474	41%	0.405	S	S	.	.	B	Isolated β-bridge	trans	-99.5	122.4	175.6	-70.3	176.3	-179.4	166.2	0	107.7	F715 W725 T733	F715-K735 HydrophobicContact CE1-CB 4.5Å; F715-K735 HydrophobicContact CE1-CD 4.21Å; W725-K735 WeakPolarHBondContact CA-O 3.3Å; W725-K735 VanDerWaalsContact CB-O 3.22Å; W725-K735 WeakPolarHBondContact CB-O 3.47Å; W725-K735 PolarHBondContact N-O 2.99Å; W725-K735 PolarHBondContact O-N 3.33Å; T733-K735 PolarHBondContact O-N 3.38Å
736	S	50.5	Low	50.1	Low	14 Å²	14	79.1 Å²	79.1	10%	0.098	43%	0.431	C	S	.	.	P	Polyproline II helix	trans	-84.6	146	172.7	66	0	0	0	0	110.5	G738 L739	S736-G738 PolarHBondContact O-N 3.18Å; S736-L739 WeakPolarHBondContact OG-CA 3.41Å; S736-L739 WeakPolarHBondContact OG-CB 3.16Å; S736-L739 VanDerWaalsContact OG-CD1 3.24Å; S736-L739 WeakPolarHBondContact OG-CD1 3.46Å; S736-L739 PolarHBondContact OG-N 2.87Å; S736-L739 PolarHBondContact OG-O 3.33Å; S736-L739 VanDerWaalsContact OG-O 3.07Å
737	I	50.1	Low	51.8	Low	33 Å²	33	80.6 Å²	80.6	17%	0.169	43%	0.431	C	S	.	.	S	Bend	trans	-69.2	-18.1	179.2	-68.5	168.3	0	0	0	111.6	I616 I620 I624 W725	I616-I737 HydrophobicContact CG2-CG2 3.89Å; I620-I737 HydrophobicContact CG2-CD1 4.27Å; I620-I737 HydrophobicContact CG2-CG1 4.21Å; I620-I737 HydrophobicContact CG2-CG2 4.3Å; I624-I737 HydrophobicContact CD1-CD1 3.26Å; I624-I737 HydrophobicContact CD1-CG1 4.18Å; W725-I737 HydrophobicContact CD2-CD1 3.86Å; W725-I737 HydrophobicContact CD2-CG1 4.43Å; W725-I737 HydrophobicContact CG-CD1 4.14Å; W725-I737 HydrophobicContact CG-CG1 4.2Å; W725-I737 HydrophobicContact CH2-CD1 4.33Å; W725-I737 HydrophobicContact CZ2-CD1 3.56Å; W725-I737 VanDerWaalsContact NE1-CD1 3.28Å
738	G	46.3	Very low	53.6	Low	20 Å²	20	80.1 Å²	80.1	21%	0.206	43%	0.428	C	S	.	.	S	Bend	trans	-119.2	-2.2	-178.2	0	0	0	0	0	116.1	S736	S736-G738 PolarHBondContact O-N 3.18Å
739	L	40	Very low	55.5	Low	79 Å²	79	79 Å²	79	41%	0.414	42%	0.422	S	S	.	.			trans	-127.1	119.3	175	-52	98.1	0	0	0	112.1	D722 S736 K741	D722-L739 WeakPolarHBondContact O-CD1 3.49Å; S736-L739 WeakPolarHBondContact OG-CA 3.41Å; S736-L739 WeakPolarHBondContact OG-CB 3.16Å; S736-L739 VanDerWaalsContact OG-CD1 3.24Å; S736-L739 WeakPolarHBondContact OG-CD1 3.46Å; S736-L739 PolarHBondContact OG-N 2.87Å; S736-L739 PolarHBondContact OG-O 3.33Å; S736-L739 VanDerWaalsContact OG-O 3.07Å; L739-K741 VanDerWaalsContact C-N 3.27Å; L739-K741 PolarHBondContact O-N 2.96Å
740	S	36	Very low	57.3	Low	73 Å²	73	76.7 Å²	76.7	51%	0.51	41%	0.407	S	S	.	.			trans	-55.1	102	144.5	169.3	0	0	0	0	107.1	K742	S740-K742 PolarHBondContact O-N 3.37Å
741	K	40.8	Very low	59.2	Low	108 Å²	108	68.6 Å²	68.6	47%	0.47	37%	0.371	S	S	.	.	S	Bend	trans	-70.2	73.5	171.2	-113.9	-172.1	-175.2	167.3	0	109.5	D724 P734 L739	D724-K741 WeakPolarHBondContact OD1-CE 3.39Å; D724-K741 IonicContact OD1-NZ 2.74Å; D724-K741 PolarHBondContact OD1-NZ 3.45Å; D724-K741 VanDerWaalsContact OD2-CE 3.23Å; D724-K741 WeakPolarHBondContact OD2-CE 3.28Å; D724-K741 IonicContact OD2-NZ 2.9Å; D724-K741 PolarHBondContact OD2-NZ 3.35Å; P734-K741 PolarHBondContact O-NZ 2.78Å; L739-K741 VanDerWaalsContact C-N 3.27Å; L739-K741 PolarHBondContact O-N 2.96Å
742	K	43.6	Very low	60.8	Low	131 Å²	131	69.5 Å²	69.5	57%	0.57	36%	0.355	S	S	*	.			trans	-147.2	108.8	149.2	-68.6	-173.3	-179	162.6	0	105.6	S740 K744	S740-K742 PolarHBondContact O-N 3.37Å; K742-K744 HydrophobicContact CB-CB 4.05Å; K742-K744 HydrophobicContact CB-CG 4.39Å; K742-K744 PolarHBondContact O-N 2.89Å
743	S	49.2	Very low	62.6	Low	85 Å²	85	66 Å²	66	59%	0.594	34%	0.336	S	S	*	.			trans	-69.6	28.8	158.7	72.6	0	0	0	0	111.3	D525	D525-S743 VanDerWaalsContact OD2-CB 3.29Å; D525-S743 WeakPolarHBondContact OD2-CB 3.46Å; D525-S743 PolarHBondContact OD2-OG 2.7Å
744	K	61	Low	64.4	Low	142 Å²	142	61 Å²	61	62%	0.617	31%	0.306	S	S	*	.	S	Bend	trans	-87.9	123.2	163	-64.9	-170.4	171.9	-171.9	0	105.7	K742 E746	K742-K744 HydrophobicContact CB-CB 4.05Å; K742-K744 HydrophobicContact CB-CG 4.39Å; K742-K744 PolarHBondContact O-N 2.89Å; K744-E746 VanDerWaalsContact C-N 3.35Å; K744-E746 PolarHBondContact O-N 3.02Å
745	V	69.3	Low	66.2	Low	35 Å²	35	60.6 Å²	60.6	21%	0.212	30%	0.302	C	S	.	.			trans	-62.7	100.5	170.4	179.7	0	0	0	0	107.1	A605 R606 G609 I748	A605-V745 HydrophobicContact CB-CB 4.27Å; A605-V745 HydrophobicContact CB-CG1 4.38Å; A605-V745 HydrophobicContact CB-CG2 4.27Å; A605-V745 WeakPolarHBondContact O-CG1 3.36Å; R606-V745 HydrophobicContact CG-CG2 4.05Å; G609-V745 VanDerWaalsContact CA-CG1 3.48Å; V745-I748 HydrophobicContact CG1-CD1 4.24Å; V745-I748 HydrophobicContact CG1-CG1 3.55Å
746	E	72.8	Confident	67.9	Low	114 Å²	114	58.4 Å²	58.4	53%	0.533	30%	0.295	S	S	.	.			trans	-74.7	-41.3	-176.2	-67.4	-171.2	157.6	0	0	111.6	G578 K744	G578-E746 WeakPolarHBondContact CA-O 2.8Å; K744-E746 VanDerWaalsContact C-N 3.35Å; K744-E746 PolarHBondContact O-N 3.02Å
747	R	84	Confident	69.5	Low	110 Å²	110	58 Å²	58	42%	0.415	29%	0.292	S	S	.	.			trans	-129.2	137.2	-177.5	-68.2	-67.5	-157.3	143.4	0.1	110	T576 G609 V610	T576-R747 PolarHBondContact O-NH1 3.05Å; T576-R747 VanDerWaalsContact O-NH1 3.14Å; T576-R747 PolarHBondContact OG1-NH1 2.91Å; T576-R747 VanDerWaalsContact OG1-NH1 3.15Å; G609-R747 WeakPolarHBondContact CA-O 3.24Å; V610-R747 HydrophobicContact CB-CB 4.4Å; V610-R747 PolarHBondContact N-O 2.95Å
748	I	87.1	Confident	71	Confident	0 Å²	0	57 Å²	57	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.3	130.1	-178.9	-59.3	174.7	0	0	0	108	T576 F577 F579 M582 A605 V745 Y750	T576-I748 WeakPolarHBondContact CA-O 3.49Å; T576-I748 WeakPolarHBondContact CB-O 3.04Å; F577-I748 HydrophobicContact CD1-CB 3.93Å; F577-I748 HydrophobicContact CD1-CG2 4.42Å; F577-I748 HydrophobicContact CE1-CB 3.85Å; F577-I748 HydrophobicContact CE1-CG2 3.87Å; F577-I748 PolarHBondContact N-O 3.12Å; F577-I748 VanDerWaalsContact N-O 3.1Å; F577-I748 PolarHBondContact O-N 3.06Å; F579-I748 HydrophobicContact CB-CD1 4.32Å; F579-I748 HydrophobicContact CD2-CD1 4.02Å; M582-I748 HydrophobicContact CB-CD1 3.78Å; M582-I748 HydrophobicContact CE-CD1 4.15Å; M582-I748 HydrophobicContact CG-CD1 4.19Å; M582-I748 HydrophobicContact SD-CD1 3.57Å; M582-I748 VanDerWaalsContact SD-CD1 3.57Å; M582-I748 HydrophobicContact SD-CG2 4.29Å; A605-I748 HydrophobicContact CB-CD1 3.78Å; V745-I748 HydrophobicContact CG1-CD1 4.24Å; V745-I748 HydrophobicContact CG1-CG1 3.55Å; I748-Y750 PolarHBondContact O-N 3.47Å
749	N	89.2	Confident	72.3	Confident	48 Å²	48	63.3 Å²	63.3	26%	0.257	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.5	89.9	174.1	-174.6	-17.5	0	0	0	109.4	Y608 V610 K751 Q752 L753	Y608-N749 PolarHBondContact O-N 3.34Å; V610-N749 HydrophobicContact CG2-CB 4.03Å; N749-K751 VanDerWaalsContact C-N 3.29Å; N749-K751 PolarHBondContact O-N 3.44Å; N749-K751 PolarHBondContact OD1-N 3.24Å; N749-Q752 HydrophobicContact CB-CB 4.37Å; N749-Q752 PolarHBondContact O-N 2.91Å; N749-Q752 PolarHBondContact OD1-N 3.08Å; N749-L753 PolarHBondContact O-N 3.1Å
750	Y	88	Confident	73.7	Confident	1 Å²	1	65.1 Å²	65.1	0%	0.004	31%	0.313	C	S	.	.	H	α-helix	trans	-69.7	-29.7	-179.1	70.6	-99.9	0	0	0	111.8	A566 D570 G575 T576 F577 I748 Q752 L753 I754	A566-Y750 HydrophobicContact CB-CD2 3.58Å; A566-Y750 HydrophobicContact CB-CE2 3.86Å; A566-Y750 HydrophobicContact CB-CG 4.19Å; D570-Y750 HydrophobicContact CB-CE1 3.61Å; D570-Y750 WeakPolarHBondContact OD2-CE1 3.22Å; D570-Y750 PolarHBondContact OD2-OH 3.28Å; G575-Y750 VanDerWaalsContact C-CD1 3.49Å; G575-Y750 WeakPolarHBondContact O-CD1 3.4Å; G575-Y750 WeakPolarHBondContact O-CE1 3.33Å; G575-Y750 PolarHBondContact O-N 2.78Å; T576-Y750 VanDerWaalsContact N-CE1 3.27Å; F577-Y750 HydrophobicContact CB-CD1 4.32Å; F577-Y750 HydrophobicContact CD1-CD1 4.19Å; F577-Y750 HydrophobicContact CD1-CG 4.43Å; F577-Y750 VanDerWaalsContact CE1-CB 3.47Å; F577-Y750 HydrophobicContact CG-CD1 4.21Å; I748-Y750 PolarHBondContact O-N 3.47Å; Y750-Q752 VanDerWaalsContact C-N 3.27Å; Y750-Q752 PolarHBondContact O-N 3.01Å; Y750-L753 PolarHBondContact O-N 3.49Å; Y750-I754 HydrophobicContact CD2-CD1 3.83Å; Y750-I754 WeakPolarHBondContact O-CB 3.31Å; Y750-I754 VanDerWaalsContact O-CG1 3.24Å; Y750-I754 WeakPolarHBondContact O-CG1 3.36Å; Y750-I754 PolarHBondContact O-N 2.73Å
751	K	85.9	Confident	75.2	Confident	51 Å²	51	67.8 Å²	67.8	22%	0.222	32%	0.322	C	S	.	.	H	α-helix	trans	-59	-44.8	178.8	-69.9	-178.9	174.4	169	0	109.7	D573 N749 N755 F763	D573-K751 IonicContact OD1-NZ 2.6Å; D573-K751 PolarHBondContact OD1-NZ 3.01Å; N749-K751 VanDerWaalsContact C-N 3.29Å; N749-K751 PolarHBondContact O-N 3.44Å; N749-K751 PolarHBondContact OD1-N 3.24Å; K751-N755 WeakPolarHBondContact O-CB 3.34Å; K751-N755 VanDerWaalsContact O-CG 3.27Å; K751-N755 PolarHBondContact O-N 2.89Å; K751-F763 HydrophobicContact CB-CD2 3.87Å; K751-F763 HydrophobicContact CB-CE2 4.33Å; K751-F763 HydrophobicContact CB-CG 4.23Å; K751-F763 HydrophobicContact CD-CB 4.43Å; K751-F763 HydrophobicContact CD-CG 4.36Å; K751-F763 HydrophobicContact CG-CD1 4.36Å; K751-F763 HydrophobicContact CG-CD2 4.11Å; K751-F763 HydrophobicContact CG-CE2 4.4Å; K751-F763 HydrophobicContact CG-CG 4.11Å
752	Q	86.9	Confident	76.4	Confident	95 Å²	95	66.2 Å²	66.2	44%	0.444	32%	0.318	S	S	.	.	H	α-helix	trans	-69.7	-43.2	176	-164.9	179.6	-2.2	0	0	112.9	Y608 N749 Y750 I754 N755 D756	Y608-Q752 HydrophobicContact CD1-CB 4.14Å; Y608-Q752 HydrophobicContact CD1-CG 4.13Å; Y608-Q752 HydrophobicContact CE1-CB 4.36Å; Y608-Q752 HydrophobicContact CE1-CG 3.99Å; N749-Q752 HydrophobicContact CB-CB 4.37Å; N749-Q752 PolarHBondContact O-N 2.91Å; N749-Q752 PolarHBondContact OD1-N 3.08Å; Y750-Q752 VanDerWaalsContact C-N 3.27Å; Y750-Q752 PolarHBondContact O-N 3.01Å; Q752-I754 VanDerWaalsContact C-N 3.31Å; Q752-I754 PolarHBondContact O-N 2.93Å; Q752-N755 PolarHBondContact O-N 3.42Å; Q752-D756 PolarHBondContact O-N 3.08Å
753	L	87.8	Confident	77.5	Confident	0 Å²	0	62.7 Å²	62.7	0%	0	30%	0.303	C	S	.	.	H	α-helix	trans	-57	-45	175.9	173.9	66.8	0	0	0	111.6	L547 F577 M582 Y608 N749 Y750 D756 L757	L547-L753 HydrophobicContact CD2-CD1 4.38Å; F577-L753 HydrophobicContact CZ-CD2 4.47Å; M582-L753 HydrophobicContact CG-CD2 4.08Å; M582-L753 HydrophobicContact SD-CD2 4.35Å; Y608-L753 HydrophobicContact CD1-CB 4.1Å; Y608-L753 HydrophobicContact CD2-CB 4.13Å; Y608-L753 HydrophobicContact CD2-CD1 3.55Å; Y608-L753 HydrophobicContact CD2-CG 4.36Å; Y608-L753 HydrophobicContact CE1-CB 4.3Å; Y608-L753 HydrophobicContact CE2-CB 4.34Å; Y608-L753 HydrophobicContact CE2-CD1 3.34Å; Y608-L753 HydrophobicContact CE2-CG 4.42Å; Y608-L753 HydrophobicContact CG-CB 4Å; Y608-L753 HydrophobicContact CG-CD1 4.3Å; N749-L753 PolarHBondContact O-N 3.1Å; Y750-L753 PolarHBondContact O-N 3.49Å; L753-D756 PolarHBondContact O-N 3.49Å; L753-L757 HydrophobicContact CD1-CD1 4.03Å; L753-L757 HydrophobicContact CD1-CG 4.32Å; L753-L757 HydrophobicContact CG-CD1 3.96Å; L753-L757 WeakPolarHBondContact O-CB 3.23Å; L753-L757 VanDerWaalsContact O-CG 3.25Å; L753-L757 WeakPolarHBondContact O-CG 3.48Å; L753-L757 PolarHBondContact O-N 3.28Å
754	I	85.7	Confident	77.7	Confident	1 Å²	1	66.9 Å²	66.9	1%	0.005	31%	0.313	C	S	.	.	H	α-helix	trans	-70.6	-42.3	-179.4	-66.6	171.6	0	0	0	111	I562 I563 A566 Y750 Q752 D756 L757 L758 F763	I562-I754 HydrophobicContact CG2-CD1 3.91Å; I562-I754 HydrophobicContact CG2-CG1 3.91Å; I562-I754 HydrophobicContact CG2-CG2 4.32Å; I563-I754 HydrophobicContact CG1-CG2 4.28Å; A566-I754 HydrophobicContact CB-CD1 3.42Å; A566-I754 VanDerWaalsContact CB-CD1 3.42Å; Y750-I754 HydrophobicContact CD2-CD1 3.83Å; Y750-I754 WeakPolarHBondContact O-CB 3.31Å; Y750-I754 VanDerWaalsContact O-CG1 3.24Å; Y750-I754 WeakPolarHBondContact O-CG1 3.36Å; Y750-I754 PolarHBondContact O-N 2.73Å; Q752-I754 VanDerWaalsContact C-N 3.31Å; Q752-I754 PolarHBondContact O-N 2.93Å; I754-D756 VanDerWaalsContact C-N 3.27Å; I754-D756 PolarHBondContact O-N 3.43Å; I754-L757 PolarHBondContact O-N 3.33Å; I754-L758 HydrophobicContact CG2-CD1 3.56Å; I754-L758 HydrophobicContact CG2-CG 3.97Å; I754-L758 WeakPolarHBondContact O-CB 3.35Å; I754-L758 VanDerWaalsContact O-CG 3.31Å; I754-L758 WeakPolarHBondContact O-CG 3.49Å; I754-L758 PolarHBondContact O-N 2.83Å; I754-F763 HydrophobicContact CB-CE2 4.24Å; I754-F763 HydrophobicContact CG2-CE2 4.1Å
755	N	86.2	Confident	76.9	Confident	23 Å²	23	65.3 Å²	65.3	12%	0.123	32%	0.32	C	S	.	.	H	α-helix	trans	-57.3	-43.3	175.3	-78.2	-7.8	0	0	0	111.5	K751 Q752 K759 K760 L762 F763	K751-N755 WeakPolarHBondContact O-CB 3.34Å; K751-N755 VanDerWaalsContact O-CG 3.27Å; K751-N755 PolarHBondContact O-N 2.89Å; Q752-N755 PolarHBondContact O-N 3.42Å; N755-K759 WeakPolarHBondContact O-CA 3.43Å; N755-K759 PolarHBondContact O-N 2.97Å; N755-K760 WeakPolarHBondContact CA-O 3.13Å; N755-K760 PolarHBondContact O-N 3.06Å; N755-K760 PolarHBondContact OD1-O 3.42Å; N755-K760 VanDerWaalsContact OD1-O 3.06Å; N755-L762 PolarHBondContact OD1-N 3.09Å; N755-L762 VanDerWaalsContact OD1-N 3.12Å; N755-F763 WeakPolarHBondContact OD1-CD2 2.99Å
756	D	84.9	Confident	75.1	Confident	64 Å²	64	68.7 Å²	68.7	34%	0.342	35%	0.345	S	S	.	.	H	α-helix	trans	-69.2	-39.6	178.4	-74.2	-11.7	0	0	0	112.5	Y608 Q752 L753 I754	Y608-D756 WeakPolarHBondContact CE1-OD2 3.44Å; Y608-D756 VanDerWaalsContact OH-CB 3.3Å; Y608-D756 WeakPolarHBondContact OH-CB 3.47Å; Y608-D756 PolarHBondContact OH-OD2 3.37Å; Q752-D756 PolarHBondContact O-N 3.08Å; L753-D756 PolarHBondContact O-N 3.49Å; I754-D756 VanDerWaalsContact C-N 3.27Å; I754-D756 PolarHBondContact O-N 3.43Å
757	L	83.8	Confident	73.1	Confident	6 Å²	6	69.9 Å²	69.9	3%	0.031	36%	0.36	C	S	.	.	H	α-helix	trans	-65.8	-41.2	175.9	-76.6	171.3	0	0	0	112.3	L547 L550 I551 L554 L753 I754	L547-L757 HydrophobicContact CD2-CD2 3.79Å; L547-L757 HydrophobicContact CD2-CG 4.18Å; L550-L757 HydrophobicContact CB-CD2 3.61Å; L550-L757 HydrophobicContact CD1-CD2 3.82Å; L550-L757 HydrophobicContact CG-CD2 4.37Å; I551-L757 WeakPolarHBondContact CG1-O 3.33Å; L554-L757 HydrophobicContact CD1-CB 4.15Å; L554-L757 HydrophobicContact CD1-CD2 4.08Å; L753-L757 HydrophobicContact CD1-CD1 4.03Å; L753-L757 HydrophobicContact CD1-CG 4.32Å; L753-L757 HydrophobicContact CG-CD1 3.96Å; L753-L757 WeakPolarHBondContact O-CB 3.23Å; L753-L757 VanDerWaalsContact O-CG 3.25Å; L753-L757 WeakPolarHBondContact O-CG 3.48Å; L753-L757 PolarHBondContact O-N 3.28Å; I754-L757 PolarHBondContact O-N 3.33Å
758	L	81.6	Confident	70.3	Confident	11 Å²	11	75.9 Å²	75.9	6%	0.058	40%	0.401	C	S	.	.	H	α-helix	trans	-90.5	-7.2	-175.8	-58.4	-171.4	0	0	0	113.1	H559 I562 I563 I754 K760 L762	H559-L758 HydrophobicContact CB-CD1 4.11Å; H559-L758 HydrophobicContact CB-CD2 4.31Å; H559-L758 VanDerWaalsContact CD2-CD2 3.43Å; H559-L758 WeakPolarHBondContact CD2-CD2 3.47Å; I562-L758 HydrophobicContact CD1-CD2 4.44Å; I563-L758 HydrophobicContact CD1-CD1 4.28Å; I563-L758 HydrophobicContact CG1-CD1 4.39Å; I754-L758 HydrophobicContact CG2-CD1 3.56Å; I754-L758 HydrophobicContact CG2-CG 3.97Å; I754-L758 WeakPolarHBondContact O-CB 3.35Å; I754-L758 VanDerWaalsContact O-CG 3.31Å; I754-L758 WeakPolarHBondContact O-CG 3.49Å; I754-L758 PolarHBondContact O-N 2.83Å; L758-K760 PolarHBondContact O-N 3.31Å; L758-L762 HydrophobicContact CB-CD1 4.17Å; L758-L762 HydrophobicContact CD1-CD1 3.45Å; L758-L762 VanDerWaalsContact CD1-CD1 3.45Å; L758-L762 HydrophobicContact CG-CD1 4.39Å
759	K	75.4	Confident	69.5	Low	153 Å²	153	79.7 Å²	79.7	67%	0.665	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	48.9	38.3	-173.9	-63.5	-178	177.3	173	0	112.7	N755	N755-K759 WeakPolarHBondContact O-CA 3.43Å; N755-K759 PolarHBondContact O-N 2.97Å
760	K	69.3	Low	68.5	Low	116 Å²	116	81.4 Å²	81.4	50%	0.504	43%	0.429	S	S	.	.	S	Bend	trans	-139.8	134.3	-179.5	-72.5	-179.3	-176.8	-178.9	0	109.3	N755 L758 L762	N755-K760 WeakPolarHBondContact CA-O 3.13Å; N755-K760 PolarHBondContact O-N 3.06Å; N755-K760 PolarHBondContact OD1-O 3.42Å; N755-K760 VanDerWaalsContact OD1-O 3.06Å; L758-K760 PolarHBondContact O-N 3.31Å; K760-L762 HydrophobicContact CB-CD1 4.21Å; K760-L762 HydrophobicContact CB-CD2 4.2Å; K760-L762 HydrophobicContact CB-CG 3.83Å; K760-L762 HydrophobicContact CD-CD2 4.42Å; K760-L762 PolarHBondContact O-N 3.19Å
761	D	66.8	Low	67.4	Low	130 Å²	130	85.8 Å²	85.8	70%	0.695	45%	0.453	S	S	*	.			trans	-77.6	87.7	169.2	-75.4	-33.2	0	0	0	109.4
762	L	65.6	Low	66.3	Low	75 Å²	75	87.9 Å²	87.9	39%	0.393	47%	0.467	S	S	.	.			trans	-87.7	-14.8	-175.5	-68.8	160.9	0	0	0	113.1	I563 N755 L758 K760	I563-L762 HydrophobicContact CD1-CD1 3.87Å; N755-L762 PolarHBondContact OD1-N 3.09Å; N755-L762 VanDerWaalsContact OD1-N 3.12Å; L758-L762 HydrophobicContact CB-CD1 4.17Å; L758-L762 HydrophobicContact CD1-CD1 3.45Å; L758-L762 VanDerWaalsContact CD1-CD1 3.45Å; L758-L762 HydrophobicContact CG-CD1 4.39Å; K760-L762 HydrophobicContact CB-CD1 4.21Å; K760-L762 HydrophobicContact CB-CD2 4.2Å; K760-L762 HydrophobicContact CB-CG 3.83Å; K760-L762 HydrophobicContact CD-CD2 4.42Å; K760-L762 PolarHBondContact O-N 3.19Å
763	F	67.1	Low	65	Low	57 Å²	57	87.4 Å²	87.4	25%	0.25	47%	0.468	C	S	.	.	S	Bend	trans	-120.1	22.6	-168.9	-56.9	-72.4	0	0	0	114.8	I563 K751 I754 N755	I563-F763 HydrophobicContact CG2-CE1 4.43Å; I563-F763 HydrophobicContact CG2-CZ 4.28Å; K751-F763 HydrophobicContact CB-CD2 3.87Å; K751-F763 HydrophobicContact CB-CE2 4.33Å; K751-F763 HydrophobicContact CB-CG 4.23Å; K751-F763 HydrophobicContact CD-CB 4.43Å; K751-F763 HydrophobicContact CD-CG 4.36Å; K751-F763 HydrophobicContact CG-CD1 4.36Å; K751-F763 HydrophobicContact CG-CD2 4.11Å; K751-F763 HydrophobicContact CG-CE2 4.4Å; K751-F763 HydrophobicContact CG-CG 4.11Å; I754-F763 HydrophobicContact CB-CE2 4.24Å; I754-F763 HydrophobicContact CG2-CE2 4.1Å; N755-F763 WeakPolarHBondContact OD1-CD2 2.99Å
764	H	53.2	Low	63.5	Low	172 Å²	172	93.3 Å²	93.3	80%	0.796	50%	0.499	S	S	*	.			trans	-98	108.3	174.7	-96.4	17.7	0	0	0	113
765	S	43.6	Very low	61.9	Low	109 Å²	109	99.9 Å²	99.9	76%	0.762	53%	0.534	S	S	*	.			trans	-126.4	119.5	159.3	58.3	0	0	0	0	109.1
766	S	31.9	Very low	60	Low	107 Å²	107	105.8 Å²	105.8	75%	0.748	57%	0.566	S	S	*	*			trans	-16.8	121.3	172.3	54.8	0	0	0	0	118.4
767	T	30.3	Very low	58	Low	138 Å²	138	109.3 Å²	109.3	85%	0.847	59%	0.585	S	S	*	*				178.8	151.2	116.6	41.1	0	0	0	0	110.3
768	D	27	Very low	55.6	Low	237 Å²	237	118.6 Å²	118.6	100%	1.267	64%	0.635	S	S	*	*			trans	-43.9	0	178.3	-60.3	-54.8	0	0	0	117.6

Retrieved 768 of 768 residues in 608.7 ms (Link to these results)

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