A0A087XX74_POEFO Loading...

C2H2-type domain-containing protein

AlphaFold DB , UniProt , Accession A0A087XX74, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 514 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.6	Very low	31.5	Very low	250 Å²	250	190.1 Å²	190.1	100%	1.232	85%	0.846	S	S	*	*				0	57.8	0	-76.3	179.5	162.9	0	0	109.7
2	E	36.9	Very low	31.3	Very low	185 Å²	185	186.4 Å²	186.4	86%	0.864	84%	0.838	S	S	*	*			trans	-93.5	138.5	158.7	-71.8	-178.7	133	0	0	107
3	T	29	Very low	31	Very low	132 Å²	132	177.2 Å²	177.2	81%	0.81	83%	0.827	S	S	*	*			trans	176.2	124.9	136.6	35.6	0	0	0	0	112.5
4	R	29.3	Very low	30.7	Very low	210 Å²	210	178.1 Å²	178.1	79%	0.792	83%	0.831	S	S	*	*			trans	52.1	129.6	130.1	-68.8	-179.6	174.1	-176.6	-0.4	121.9
5	L	31.5	Very low	31	Very low	156 Å²	156	179.2 Å²	179.2	82%	0.817	84%	0.835	S	S	*	*				-171.3	98.1	110.3	-96.4	144	0	0	0	108.8
6	Q	29.9	Very low	30.9	Very low	141 Å²	141	176.4 Å²	176.4	66%	0.659	83%	0.827	S	S	*	*				65.7	104.9	101.3	-91.1	170.6	-25	0	0	115.3
7	R	29.2	Very low	31.1	Very low	207 Å²	207	173 Å²	173	78%	0.781	82%	0.823	S	S	*	*				75.1	122.5	88.3	-79.7	-168.7	-172.9	-169.9	1.6	114.7
8	R	27.1	Very low	31	Very low	253 Å²	253	169.8 Å²	169.8	96%	0.955	81%	0.81	S	S	*	*				-157.4	135.3	117.8	-112.2	178.8	-174	-166.6	1.7	112.5
9	H	29.7	Very low	31.4	Very low	146 Å²	146	167.8 Å²	167.8	68%	0.676	81%	0.81	S	S	*	*			trans	-81.8	150.3	179.1	-77.1	-97.7	0	0	0	111.8
10	H	27.9	Very low	31.4	Very low	199 Å²	199	168.1 Å²	168.1	92%	0.921	81%	0.808	S	S	*	*			trans	-137.2	143.5	133.5	-123.7	21.4	0	0	0	110.4
11	R	32.1	Very low	31.8	Very low	212 Å²	212	169.8 Å²	169.8	80%	0.8	81%	0.811	S	S	*	*			trans	-118.2	141.3	-165.8	-158.3	-152.7	-97.7	-163.4	-5.3	103.5
12	I	29.6	Very low	31.3	Very low	146 Å²	146	163.6 Å²	163.6	75%	0.749	79%	0.788	S	S	*	*				161.4	142.2	81.8	-72	173	0	0	0	105.7
13	G	27.2	Very low	31.3	Very low	67 Å²	67	159.8 Å²	159.8	69%	0.691	78%	0.779	S	S	*	*			trans	75.6	146.9	146.8	0	0	0	0	0	117.5
14	E	27.1	Very low	31.9	Very low	189 Å²	189	159.4 Å²	159.4	88%	0.883	77%	0.771	S	S	*	*			cis	-156.4	157.7	12.8	-71.8	-178.7	142.5	0	0	108.9
15	H	34.3	Very low	32.7	Very low	195 Å²	195	158.5 Å²	158.5	90%	0.903	77%	0.769	S	S	*	*			trans	-66.1	133.7	169.5	-85.2	-97.4	0	0	0	111.4
16	I	29.4	Very low	33	Very low	135 Å²	135	155.8 Å²	155.8	69%	0.692	76%	0.759	S	S	*	*			trans	-130	118.2	154.7	-56.6	177.6	0	0	0	107.5	I18	I16-I18 HydrophobicContact CG2-CD1 4.31Å; I16-I18 HydrophobicContact CG2-CG1 3.77Å; I16-I18 PolarHBondContact O-N 3.46Å
17	P	34.5	Very low	33.5	Very low	118 Å²	118	155.5 Å²	155.5	77%	0.766	76%	0.757	S	S	*	*			trans	-84.3	108.6	172.4	31.5	-26	0	0	0	108.6
18	I	30.3	Very low	34.3	Very low	116 Å²	116	154.7 Å²	154.7	60%	0.595	76%	0.759	S	S	*	*			trans	-102.1	97.4	171.5	-48.7	-180	0	0	0	108.9	I16 F20	I16-I18 HydrophobicContact CG2-CD1 4.31Å; I16-I18 HydrophobicContact CG2-CG1 3.77Å; I16-I18 PolarHBondContact O-N 3.46Å; I18-F20 HydrophobicContact CB-CD2 4.27Å; I18-F20 HydrophobicContact CB-CE2 4.03Å; I18-F20 HydrophobicContact CG2-CD2 3.55Å; I18-F20 HydrophobicContact CG2-CE1 4.49Å; I18-F20 HydrophobicContact CG2-CE2 3.22Å; I18-F20 HydrophobicContact CG2-CG 4.33Å; I18-F20 HydrophobicContact CG2-CZ 3.74Å; I18-F20 PolarHBondContact O-N 2.99Å
19	T	38.2	Very low	35.5	Very low	131 Å²	131	146.2 Å²	146.2	80%	0.804	75%	0.75	S	S	*	*			trans	-61.6	105.7	160.3	45.4	0	0	0	0	109.5
20	F	30.9	Very low	36.5	Very low	174 Å²	174	145.3 Å²	145.3	76%	0.763	74%	0.744	S	S	*	*			trans	-96.1	105.7	163.7	-82.1	-76.7	0	0	0	109.7	I18 T22	I18-F20 HydrophobicContact CB-CD2 4.27Å; I18-F20 HydrophobicContact CB-CE2 4.03Å; I18-F20 HydrophobicContact CG2-CD2 3.55Å; I18-F20 HydrophobicContact CG2-CE1 4.49Å; I18-F20 HydrophobicContact CG2-CE2 3.22Å; I18-F20 HydrophobicContact CG2-CG 4.33Å; I18-F20 HydrophobicContact CG2-CZ 3.74Å; I18-F20 PolarHBondContact O-N 2.99Å; F20-T22 PolarHBondContact O-N 3.28Å
21	K	39.5	Very low	37.8	Very low	203 Å²	203	140.6 Å²	140.6	88%	0.883	73%	0.725	S	S	*	*	P	Polyproline II helix	trans	-56.5	118.5	160.9	-72.3	177.1	175	177.3	0	108.2
22	T	32.9	Very low	38.9	Very low	121 Å²	121	132 Å²	132	74%	0.742	70%	0.697	S	S	*	*	P	Polyproline II helix	trans	-76	135.7	176.7	40.6	0	0	0	0	110.9	F20	F20-T22 PolarHBondContact O-N 3.28Å
23	P	37.8	Very low	40.3	Very low	105 Å²	105	131.3 Å²	131.3	68%	0.682	69%	0.69	S	S	*	*	P	Polyproline II helix	trans	-80.1	123.1	170.8	-1.3	18.3	0	0	0	110.1	Y25	P23-Y25 HydrophobicContact CB-CD2 4.21Å; P23-Y25 HydrophobicContact CB-CE2 3.92Å; P23-Y25 PolarHBondContact O-N 3.13Å
24	I	41.6	Very low	42.3	Very low	124 Å²	124	130.6 Å²	130.6	64%	0.636	67%	0.668	S	S	*	*			trans	-78.9	114.5	175.1	-60.8	168.3	0	0	0	108.4	I31	I24-I31 HydrophobicContact CG2-CG2 4.28Å
25	Y	45	Very low	44.5	Very low	190 Å²	190	125 Å²	125	75%	0.745	65%	0.647	S	S	*	*			trans	-110.4	121.3	170.5	-82.9	-85.7	0	0	0	111	P23	P23-Y25 HydrophobicContact CB-CD2 4.21Å; P23-Y25 HydrophobicContact CB-CE2 3.92Å; P23-Y25 PolarHBondContact O-N 3.13Å
26	T	38.8	Very low	46.4	Very low	99 Å²	99	115.7 Å²	115.7	61%	0.607	60%	0.604	S	S	*	*	B	Isolated β-bridge	trans	-91.5	130.8	179.4	52.3	0	0	0	0	110.2
27	H	40.8	Very low	48.3	Very low	136 Å²	136	117.7 Å²	117.7	63%	0.63	61%	0.611	S	S	*	*	S	Bend	trans	-125.2	106.1	166.5	-173.7	-75.4	0	0	0	108.3
28	K	46.1	Very low	49.9	Very low	190 Å²	190	119.5 Å²	119.5	83%	0.826	60%	0.603	S	S	*	*	S	Bend	trans	62.4	46.6	-174.1	-58.6	-175.6	173.1	-167.6	0	114.5	K30	K28-K30 VanDerWaalsContact C-N 3.26Å; K28-K30 PolarHBondContact O-N 2.98Å
29	G	51.7	Low	52.1	Low	74 Å²	74	116.5 Å²	116.5	76%	0.763	59%	0.592	S	S	*	*	S	Bend	trans	69.6	14.2	169.1	0	0	0	0	0	116.1
30	K	51.1	Low	53.9	Low	127 Å²	127	112.6 Å²	112.6	55%	0.552	58%	0.578	S	S	*	*	S	Bend	trans	-119.1	134.5	169.2	-69.5	-173.5	178.8	-175.4	0	109.9	K28 C32	K28-K30 VanDerWaalsContact C-N 3.26Å; K28-K30 PolarHBondContact O-N 2.98Å; K30-C32 PolarHBondContact O-N 3.16Å
31	I	55	Low	56.1	Low	101 Å²	101	110.2 Å²	110.2	52%	0.518	57%	0.567	S	S	.	*	B	Isolated β-bridge	trans	-65	118.3	175.2	-53.9	175.5	0	0	0	107.4	I24 E33	I24-I31 HydrophobicContact CG2-CG2 4.28Å; I31-E33 HydrophobicContact CB-CG 4.28Å; I31-E33 HydrophobicContact CG2-CG 3.46Å; I31-E33 VanDerWaalsContact CG2-CG 3.46Å; I31-E33 PolarHBondContact O-N 3.44Å
32	C	55.3	Low	57.8	Low	30 Å²	30	104.6 Å²	104.6	20%	0.203	55%	0.55	C	S	.	.			trans	-90.8	89	179.6	-73.3	0	0	0	0	110	K30 V42	K30-C32 PolarHBondContact O-N 3.16Å; C32-V42 HydrophobicContact CB-CG1 3.95Å
33	E	59.7	Low	59.9	Low	132 Å²	132	100.5 Å²	100.5	62%	0.617	52%	0.522	S	S	*	.			trans	-92.4	-2.1	-170.9	-61.8	-176.7	155.1	0	0	115.3	I31	I31-E33 HydrophobicContact CB-CG 4.28Å; I31-E33 HydrophobicContact CG2-CG 3.46Å; I31-E33 VanDerWaalsContact CG2-CG 3.46Å; I31-E33 PolarHBondContact O-N 3.44Å
34	F	69	Low	61.6	Low	52 Å²	52	98.6 Å²	98.6	23%	0.228	51%	0.509	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	95.1	-166.9	-55.2	-68.2	0	0	0	112.7	F43 R46 L49	F34-F43 PolarHBondContact O-N 3.16Å; F34-R46 HydrophobicContact CD1-CB 3.82Å; F34-R46 HydrophobicContact CD1-CG 4.04Å; F34-R46 HydrophobicContact CD2-CB 4.21Å; F34-R46 HydrophobicContact CE1-CB 3.75Å; F34-R46 HydrophobicContact CE1-CG 4.07Å; F34-R46 HydrophobicContact CE2-CB 4.13Å; F34-R46 HydrophobicContact CG-CB 4.05Å; F34-R46 HydrophobicContact CZ-CB 3.91Å; F34-L49 HydrophobicContact CB-CB 4.06Å; F34-L49 HydrophobicContact CB-CD2 3.73Å
35	V	72.6	Confident	63.2	Low	72 Å²	72	98.2 Å²	98.2	44%	0.436	50%	0.501	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	138	179	-171.2	0	0	0	0	111.2	E37 V42 L49	V35-E37 PolarHBondContact O-N 3.05Å; V35-V42 HydrophobicContact CG2-CG1 4.46Å; V35-V42 HydrophobicContact CG2-CG2 4.13Å; V35-L49 WeakPolarHBondContact O-CD2 3.44Å
36	C	75	Confident	64.5	Low	0 Å²	0	96.4 Å²	96.4	0%	0	49%	0.492	C	S	.	.			trans	-82.2	110.1	172	-177.2	0	0	0	0	111	Y38 C39 G40 K41 F43 L49	C36-Y38 PolarHBondContact O-N 3.37Å; C36-Y38 VanDerWaalsContact O-N 3.16Å; C36-C39 PolarHBondContact O-N 2.94Å; C36-C39 VanDerWaalsContact O-N 3.1Å; C36-G40 WeakPolarHBondContact O-CA 3.42Å; C36-G40 PolarHBondContact O-N 3.16Å; C36-K41 PolarHBondContact N-O 3.45Å; C36-F43 HydrophobicContact CB-CE2 4.07Å; C36-L49 VanDerWaalsContact CA-CD1 3.42Å; C36-L49 HydrophobicContact CB-CD1 3.45Å; C36-L49 VanDerWaalsContact CB-CD1 3.45Å
37	E	68.6	Low	66	Low	177 Å²	177	95.8 Å²	95.8	83%	0.827	49%	0.492	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.4	-31.5	180	-65.3	172.1	-175.8	0	0	113.5	V35 C39	V35-E37 PolarHBondContact O-N 3.05Å; E37-C39 PolarHBondContact O-N 2.9Å
38	Y	67.1	Low	67.6	Low	156 Å²	156	93.2 Å²	93.2	61%	0.612	48%	0.479	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.4	-20.5	178.5	-63.5	-77	0	0	0	115.5	C36 H56	C36-Y38 PolarHBondContact O-N 3.37Å; C36-Y38 VanDerWaalsContact O-N 3.16Å; Y38-H56 HydrophobicContact CD2-CB 4.25Å; Y38-H56 HydrophobicContact CG-CB 4.21Å
39	C	77.9	Confident	68.9	Low	52 Å²	52	84.8 Å²	84.8	35%	0.351	44%	0.443	S	S	.	.	T	Hydrogen-bonded Turn	trans	-148.1	6.3	-172.9	71.1	0	0	0	0	115.4	C36 E37 K41 H52 H56	C36-C39 PolarHBondContact O-N 2.94Å; C36-C39 VanDerWaalsContact O-N 3.1Å; E37-C39 PolarHBondContact O-N 2.9Å; C39-K41 PolarHBondContact O-N 2.84Å; C39-K41 VanDerWaalsContact O-N 3.12Å; C39-H52 PolarHBondContact SG-NE2 3.14Å; C39-H56 PolarHBondContact SG-NE2 3.47Å; C39-H56 VanDerWaalsContact SG-NE2 3.44Å
40	G	75.3	Confident	69.8	Low	50 Å²	50	85.4 Å²	85.4	52%	0.515	43%	0.427	S	S	.	.			trans	68	3.6	178.7	0	0	0	0	0	115.8	C36 V42	C36-G40 WeakPolarHBondContact O-CA 3.42Å; C36-G40 PolarHBondContact O-N 3.16Å; G40-V42 PolarHBondContact O-N 2.79Å
41	K	77.8	Confident	70.7	Confident	124 Å²	124	84.2 Å²	84.2	54%	0.539	42%	0.419	S	S	.	.			trans	-72.9	128.2	-176.6	-73	-176.6	-179.9	180	0	111.7	C36 C39 F43	C36-K41 PolarHBondContact N-O 3.45Å; C39-K41 PolarHBondContact O-N 2.84Å; C39-K41 VanDerWaalsContact O-N 3.12Å; K41-F43 HydrophobicContact CB-CE2 3.61Å; K41-F43 HydrophobicContact CB-CZ 3.81Å; K41-F43 VanDerWaalsContact O-CD2 3.27Å; K41-F43 WeakPolarHBondContact O-CD2 3.44Å; K41-F43 VanDerWaalsContact O-CE2 3.23Å; K41-F43 WeakPolarHBondContact O-CE2 3.47Å
42	V	75.9	Confident	71.6	Confident	85 Å²	85	80.7 Å²	80.7	52%	0.515	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	135.6	177.4	-168.8	0	0	0	0	110.3	C32 V35 G40	C32-V42 HydrophobicContact CB-CG1 3.95Å; V35-V42 HydrophobicContact CG2-CG1 4.46Å; V35-V42 HydrophobicContact CG2-CG2 4.13Å; G40-V42 PolarHBondContact O-N 2.79Å
43	F	76.8	Confident	72.2	Confident	34 Å²	34	81.2 Å²	81.2	15%	0.149	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.1	179.2	-64.5	-86	0	0	0	111	F34 C36 K41 Y45 K48 L49 H52	F34-F43 PolarHBondContact O-N 3.16Å; C36-F43 HydrophobicContact CB-CE2 4.07Å; K41-F43 HydrophobicContact CB-CE2 3.61Å; K41-F43 HydrophobicContact CB-CZ 3.81Å; K41-F43 VanDerWaalsContact O-CD2 3.27Å; K41-F43 WeakPolarHBondContact O-CD2 3.44Å; K41-F43 VanDerWaalsContact O-CE2 3.23Å; K41-F43 WeakPolarHBondContact O-CE2 3.47Å; F43-Y45 PolarHBondContact O-N 3.46Å; F43-K48 HydrophobicContact CB-CB 4.14Å; F43-K48 HydrophobicContact CD1-CB 3.94Å; F43-K48 HydrophobicContact CG-CB 4.34Å; F43-L49 HydrophobicContact CB-CB 4.09Å; F43-L49 HydrophobicContact CD2-CB 3.91Å; F43-L49 HydrophobicContact CD2-CD1 3.71Å; F43-L49 HydrophobicContact CD2-CG 4.42Å; F43-L49 HydrophobicContact CE2-CD1 3.98Å; F43-L49 HydrophobicContact CG-CB 4.16Å; F43-H52 HydrophobicContact CE1-CB 3.91Å; F43-H52 HydrophobicContact CE2-CB 3.88Å; F43-H52 AromaticContact CE2-CD2 3.58Å; F43-H52 AromaticContact CE2-CG 3.71Å; F43-H52 HydrophobicContact CZ-CB 3.44Å; F43-H52 VanDerWaalsContact CZ-CB 3.44Å; F43-H52 AromaticContact CZ-CD2 3.49Å; F43-H52 VanDerWaalsContact CZ-CD2 3.49Å; F43-H52 WeakPolarHBondContact CZ-CD2 3.46Å; F43-H52 AromaticContact CZ-CG 3.2Å; F43-H52 AromaticContact CZ-ND1 3.63Å
44	P	71.9	Confident	72.7	Confident	66 Å²	66	76.6 Å²	76.6	43%	0.429	38%	0.379	S	S	.	.	S	Bend	trans	-72	-13.3	-179.5	27.3	-34	0	0	0	113.6
45	Y	75.3	Confident	72.6	Confident	116 Å²	116	78.9 Å²	78.9	46%	0.455	39%	0.393	S	S	.	.	S	Bend	trans	-146	141.2	-179.2	-55.8	-74.6	0	0	0	110.9	F43 S47 K48 L49	F43-Y45 PolarHBondContact O-N 3.46Å; Y45-S47 PolarHBondContact O-N 3.35Å; Y45-K48 HydrophobicContact CD2-CG 4.36Å; Y45-K48 WeakPolarHBondContact O-CB 3.35Å; Y45-K48 PolarHBondContact O-N 2.78Å; Y45-L49 PolarHBondContact O-N 2.98Å
46	R	71.9	Confident	72.3	Confident	151 Å²	151	79.2 Å²	79.2	57%	0.57	39%	0.389	S	S	*	.	H	α-helix	trans	-54.6	-36.8	176.4	-166.2	175.1	176.3	105.2	-2.3	112.7	F34 K48 L49 M50	F34-R46 HydrophobicContact CD1-CB 3.82Å; F34-R46 HydrophobicContact CD1-CG 4.04Å; F34-R46 HydrophobicContact CD2-CB 4.21Å; F34-R46 HydrophobicContact CE1-CB 3.75Å; F34-R46 HydrophobicContact CE1-CG 4.07Å; F34-R46 HydrophobicContact CE2-CB 4.13Å; F34-R46 HydrophobicContact CG-CB 4.05Å; F34-R46 HydrophobicContact CZ-CB 3.91Å; R46-K48 VanDerWaalsContact C-N 3.27Å; R46-K48 PolarHBondContact O-N 3.46Å; R46-L49 PolarHBondContact O-N 3.02Å; R46-M50 HydrophobicContact CG-CE 4.4Å; R46-M50 HydrophobicContact CG-CG 4.31Å; R46-M50 WeakPolarHBondContact O-CB 3.4Å; R46-M50 VanDerWaalsContact O-CG 3.27Å; R46-M50 WeakPolarHBondContact O-CG 3.48Å; R46-M50 PolarHBondContact O-N 3.04Å
47	S	71.7	Confident	72	Confident	86 Å²	86	83 Å²	83	60%	0.601	41%	0.412	S	S	*	.	H	α-helix	trans	-62.4	-30	176	62	0	0	0	0	113.7	Y45 R51	Y45-S47 PolarHBondContact O-N 3.35Å; S47-R51 WeakPolarHBondContact O-CB 3.35Å; S47-R51 PolarHBondContact O-N 3.31Å
48	K	74.5	Confident	71.7	Confident	83 Å²	83	77 Å²	77	36%	0.361	40%	0.398	S	S	.	.	H	α-helix	trans	-79	-39.3	176.1	-62.8	-71.1	-177.8	178	0	111.3	F43 Y45 R46 H52	F43-K48 HydrophobicContact CB-CB 4.14Å; F43-K48 HydrophobicContact CD1-CB 3.94Å; F43-K48 HydrophobicContact CG-CB 4.34Å; Y45-K48 HydrophobicContact CD2-CG 4.36Å; Y45-K48 WeakPolarHBondContact O-CB 3.35Å; Y45-K48 PolarHBondContact O-N 2.78Å; R46-K48 VanDerWaalsContact C-N 3.27Å; R46-K48 PolarHBondContact O-N 3.46Å; K48-H52 WeakPolarHBondContact O-CB 3.43Å; K48-H52 PolarHBondContact O-N 2.78Å
49	L	73.7	Confident	71.8	Confident	13 Å²	13	73.1 Å²	73.1	7%	0.068	39%	0.391	C	S	.	.	H	α-helix	trans	-62.1	-51.3	172.5	171.9	60.2	0	0	0	111.1	F34 V35 C36 F43 Y45 R46 R51 H52 Q53	F34-L49 HydrophobicContact CB-CB 4.06Å; F34-L49 HydrophobicContact CB-CD2 3.73Å; V35-L49 WeakPolarHBondContact O-CD2 3.44Å; C36-L49 VanDerWaalsContact CA-CD1 3.42Å; C36-L49 HydrophobicContact CB-CD1 3.45Å; C36-L49 VanDerWaalsContact CB-CD1 3.45Å; F43-L49 HydrophobicContact CB-CB 4.09Å; F43-L49 HydrophobicContact CD2-CB 3.91Å; F43-L49 HydrophobicContact CD2-CD1 3.71Å; F43-L49 HydrophobicContact CD2-CG 4.42Å; F43-L49 HydrophobicContact CE2-CD1 3.98Å; F43-L49 HydrophobicContact CG-CB 4.16Å; Y45-L49 PolarHBondContact O-N 2.98Å; R46-L49 PolarHBondContact O-N 3.02Å; L49-R51 VanDerWaalsContact C-N 3.29Å; L49-R51 PolarHBondContact O-N 3.31Å; L49-H52 CarbonylContact O-C 3.57Å; L49-H52 WeakPolarHBondContact O-CA 3.45Å; L49-H52 WeakPolarHBondContact O-CB 3.24Å; L49-H52 PolarHBondContact O-N 3.25Å; L49-Q53 HydrophobicContact CD1-CG 4.01Å; L49-Q53 HydrophobicContact CG-CG 4.43Å; L49-Q53 WeakPolarHBondContact O-CG 3.25Å; L49-Q53 PolarHBondContact O-N 3.16Å
50	M	70.1	Confident	71.6	Confident	87 Å²	87	75.7 Å²	75.7	43%	0.429	40%	0.396	S	S	.	.	H	α-helix	trans	-55.9	-44.1	177.5	-72.5	-66.5	-176	0	0	111.4	R46 H52 Q53 I54	R46-M50 HydrophobicContact CG-CE 4.4Å; R46-M50 HydrophobicContact CG-CG 4.31Å; R46-M50 WeakPolarHBondContact O-CB 3.4Å; R46-M50 VanDerWaalsContact O-CG 3.27Å; R46-M50 WeakPolarHBondContact O-CG 3.48Å; R46-M50 PolarHBondContact O-N 3.04Å; M50-H52 VanDerWaalsContact C-N 3.3Å; M50-H52 PolarHBondContact O-N 3.49Å; M50-Q53 PolarHBondContact O-N 3.23Å; M50-Q53 PolarHBondContact SD-OE1 3.1Å; M50-I54 WeakPolarHBondContact O-CG1 3.49Å; M50-I54 PolarHBondContact O-N 2.9Å
51	R	70.5	Confident	71.4	Confident	102 Å²	102	76.3 Å²	76.3	39%	0.385	39%	0.391	S	S	.	.	H	α-helix	trans	-65.2	-31.9	174.6	-176	176.3	62.9	159.1	8.7	113.4	S47 L49 Q73	S47-R51 WeakPolarHBondContact O-CB 3.35Å; S47-R51 PolarHBondContact O-N 3.31Å; L49-R51 VanDerWaalsContact C-N 3.29Å; L49-R51 PolarHBondContact O-N 3.31Å; R51-Q73 HydrophobicContact CG-CG 4.32Å
52	H	73.1	Confident	71.4	Confident	26 Å²	26	74.6 Å²	74.6	12%	0.12	38%	0.381	C	S	.	.	H	α-helix	trans	-73.3	-39.6	176.6	179	73.2	0	0	0	111.8	C39 F43 K48 L49 M50 I54 I55 H56	C39-H52 PolarHBondContact SG-NE2 3.14Å; F43-H52 HydrophobicContact CE1-CB 3.91Å; F43-H52 HydrophobicContact CE2-CB 3.88Å; F43-H52 AromaticContact CE2-CD2 3.58Å; F43-H52 AromaticContact CE2-CG 3.71Å; F43-H52 HydrophobicContact CZ-CB 3.44Å; F43-H52 VanDerWaalsContact CZ-CB 3.44Å; F43-H52 AromaticContact CZ-CD2 3.49Å; F43-H52 VanDerWaalsContact CZ-CD2 3.49Å; F43-H52 WeakPolarHBondContact CZ-CD2 3.46Å; F43-H52 AromaticContact CZ-CG 3.2Å; F43-H52 AromaticContact CZ-ND1 3.63Å; K48-H52 WeakPolarHBondContact O-CB 3.43Å; K48-H52 PolarHBondContact O-N 2.78Å; L49-H52 CarbonylContact O-C 3.57Å; L49-H52 WeakPolarHBondContact O-CA 3.45Å; L49-H52 WeakPolarHBondContact O-CB 3.24Å; L49-H52 PolarHBondContact O-N 3.25Å; M50-H52 VanDerWaalsContact C-N 3.3Å; M50-H52 PolarHBondContact O-N 3.49Å; H52-I54 PolarHBondContact O-N 2.92Å; H52-I55 WeakPolarHBondContact O-CB 3.2Å; H52-I55 WeakPolarHBondContact O-CG1 3.02Å; H52-I55 PolarHBondContact O-N 2.94Å; H52-H56 AromaticContact NE2-NE2 3.44Å; H52-H56 PolarHBondContact NE2-NE2 3.49Å
53	Q	67.7	Low	71.1	Confident	41 Å²	41	73.8 Å²	73.8	19%	0.192	38%	0.379	C	S	.	.	H	α-helix	trans	-62	-25.2	177	-72.9	171.2	-32.6	0	0	113.1	L49 M50 I55 H56 T57	L49-Q53 HydrophobicContact CD1-CG 4.01Å; L49-Q53 HydrophobicContact CG-CG 4.43Å; L49-Q53 WeakPolarHBondContact O-CG 3.25Å; L49-Q53 PolarHBondContact O-N 3.16Å; M50-Q53 PolarHBondContact O-N 3.23Å; M50-Q53 PolarHBondContact SD-OE1 3.1Å; Q53-I55 PolarHBondContact O-N 3.25Å; Q53-H56 PolarHBondContact O-N 3.02Å; Q53-T57 PolarHBondContact O-N 3.48Å; Q53-T57 PolarHBondContact O-OG1 3Å
54	I	70.6	Confident	71.2	Confident	36 Å²	36	72.1 Å²	72.1	19%	0.185	37%	0.372	C	S	.	.	H	α-helix	trans	-59.5	-24.9	170.5	-62.6	172.4	0	0	0	112.1	M50 H52 T57 G58 V59 P61 N72	M50-I54 WeakPolarHBondContact O-CG1 3.49Å; M50-I54 PolarHBondContact O-N 2.9Å; H52-I54 PolarHBondContact O-N 2.92Å; I54-T57 WeakPolarHBondContact CA-OG1 3.46Å; I54-G58 PolarHBondContact O-N 3.04Å; I54-V59 WeakPolarHBondContact CG2-O 3.35Å; I54-P61 HydrophobicContact CD1-CG 4.43Å; I54-N72 HydrophobicContact CG2-CB 3.78Å
55	I	65.8	Low	71.2	Confident	99 Å²	99	77.7 Å²	77.7	51%	0.508	39%	0.392	S	S	.	.	H	α-helix	trans	-70	-37.8	175.7	-57.7	175.2	0	0	0	110.9	H52 Q53	H52-I55 WeakPolarHBondContact O-CB 3.2Å; H52-I55 WeakPolarHBondContact O-CG1 3.02Å; H52-I55 PolarHBondContact O-N 2.94Å; Q53-I55 PolarHBondContact O-N 3.25Å
56	H	68.1	Low	71	Confident	79 Å²	79	77.1 Å²	77.1	37%	0.366	40%	0.4	S	S	.	.	H	α-helix	trans	-78.8	-41.7	-179.2	-63.7	-58.6	0	0	0	112.3	Y38 C39 H52 Q53 G58	Y38-H56 HydrophobicContact CD2-CB 4.25Å; Y38-H56 HydrophobicContact CG-CB 4.21Å; C39-H56 PolarHBondContact SG-NE2 3.47Å; C39-H56 VanDerWaalsContact SG-NE2 3.44Å; H52-H56 AromaticContact NE2-NE2 3.44Å; H52-H56 PolarHBondContact NE2-NE2 3.49Å; Q53-H56 PolarHBondContact O-N 3.02Å; H56-G58 PolarHBondContact O-N 2.94Å
57	T	68.3	Low	70.9	Confident	79 Å²	79	72.3 Å²	72.3	49%	0.485	39%	0.389	S	S	.	.	H	α-helix	trans	-75.6	-14.1	179	58	0	0	0	0	113.1	Q53 I54 V59	Q53-T57 PolarHBondContact O-N 3.48Å; Q53-T57 PolarHBondContact O-OG1 3Å; I54-T57 WeakPolarHBondContact CA-OG1 3.46Å; T57-V59 PolarHBondContact O-N 2.96Å
58	G	62.2	Low	70.9	Confident	51 Å²	51	71 Å²	71	53%	0.526	39%	0.389	S	S	.	.			trans	67.2	2	179.9	0	0	0	0	0	114.7	I54 H56	I54-G58 PolarHBondContact O-N 3.04Å; H56-G58 PolarHBondContact O-N 2.94Å
59	V	68.8	Low	70.8	Confident	75 Å²	75	72.9 Å²	72.9	46%	0.455	40%	0.397	S	S	.	.			trans	-62.9	136.1	-179.5	-179.3	0	0	0	0	109.1	I54 T57 P61	I54-V59 WeakPolarHBondContact CG2-O 3.35Å; T57-V59 PolarHBondContact O-N 2.96Å; V59-P61 HydrophobicContact CG1-CG 4.13Å; V59-P61 WeakPolarHBondContact O-CD 3.43Å
60	K	73.8	Confident	70.8	Confident	107 Å²	107	79.4 Å²	79.4	47%	0.465	42%	0.421	S	S	.	.			trans	-121.8	84.6	177.5	-67	-174.8	-170.2	172.8	0	109	Y62 R70 F71	K60-Y62 VanDerWaalsContact C-N 3.25Å; K60-Y62 PolarHBondContact O-N 3.19Å; K60-R70 HydrophobicContact CB-CB 3.51Å; K60-R70 HydrophobicContact CD-CB 4.26Å; K60-R70 VanDerWaalsContact CD-O 3.31Å; K60-R70 WeakPolarHBondContact CD-O 3.46Å; K60-R70 PolarHBondContact O-NE 3.39Å; K60-R70 PolarHBondContact O-NH2 3.23Å; K60-R70 VanDerWaalsContact O-NH2 3.08Å; K60-F71 CarbonylContact C-O 3.52Å; K60-F71 WeakPolarHBondContact CA-O 3.43Å
61	P	71.9	Confident	71.2	Confident	62 Å²	62	76.7 Å²	76.7	40%	0.403	41%	0.407	S	S	.	.			trans	-65.5	-28.4	-169.6	-19.8	31.5	0	0	0	113.3	I54 V59 F71	I54-P61 HydrophobicContact CD1-CG 4.43Å; V59-P61 HydrophobicContact CG1-CG 4.13Å; V59-P61 WeakPolarHBondContact O-CD 3.43Å; P61-F71 WeakPolarHBondContact CD-O 3.35Å
62	Y	76.9	Confident	71.4	Confident	88 Å²	88	74.1 Å²	74.1	35%	0.345	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	115.4	-168.1	-55.4	-76.3	0	0	0	111.1	K60 R70 F71 T74	K60-Y62 VanDerWaalsContact C-N 3.25Å; K60-Y62 PolarHBondContact O-N 3.19Å; Y62-R70 CarbonylContact O-C 3.58Å; Y62-R70 VanDerWaalsContact O-CA 3.31Å; Y62-R70 WeakPolarHBondContact O-CA 3.41Å; Y62-F71 PolarHBondContact N-O 3.13Å; Y62-F71 PolarHBondContact O-N 3.32Å; Y62-T74 HydrophobicContact CD1-CG2 4.33Å; Y62-T74 WeakPolarHBondContact CD1-OG1 3.44Å; Y62-T74 HydrophobicContact CE1-CG2 4.43Å; Y62-T74 WeakPolarHBondContact CE1-OG1 3.26Å
63	C	70.3	Confident	71.6	Confident	68 Å²	68	75.2 Å²	75.2	46%	0.459	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	143.2	179.6	66.5	0	0	0	0	112.3	K69 R70 L77	C63-K69 CarbonylContact C-O 3.36Å; C63-R70 HydrophobicContact CB-CG 4.45Å; C63-L77 WeakPolarHBondContact O-CD2 3.37Å
64	C	79	Confident	72	Confident	0 Å²	0	76 Å²	76	0%	0	41%	0.414	C	S	.	.			trans	-88.9	109.5	169	-176.9	0	0	0	0	109.1	T66 C67 G68 K69 F71 L77 H80 H84	C64-T66 PolarHBondContact O-N 3.14Å; C64-C67 PolarHBondContact O-N 2.75Å; C64-G68 WeakPolarHBondContact O-CA 3.46Å; C64-G68 PolarHBondContact O-N 3.33Å; C64-K69 PolarHBondContact N-O 3.28Å; C64-F71 HydrophobicContact CB-CE2 4.1Å; C64-L77 HydrophobicContact CB-CD1 3.56Å; C64-H80 VanDerWaalsContact SG-CD2 3.59Å; C64-H84 VanDerWaalsContact SG-CD2 3.53Å; C64-H84 PolarHBondContact SG-NE2 3.42Å; C64-H84 VanDerWaalsContact SG-NE2 3.35Å
65	H	71.7	Confident	72.3	Confident	183 Å²	183	77.5 Å²	77.5	85%	0.847	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-27.4	-177.3	-130.6	77.5	0	0	0	113.1
66	T	69.9	Low	72.8	Confident	103 Å²	103	76.2 Å²	76.2	63%	0.632	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-23.9	179.6	-38.5	0	0	0	0	114	C64 H84	C64-T66 PolarHBondContact O-N 3.14Å; T66-H84 HydrophobicContact CG2-CB 4.14Å
67	C	69.6	Low	73.4	Confident	50 Å²	50	73.1 Å²	73.1	34%	0.338	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.7	7.6	-175.5	74.5	0	0	0	0	115.5	C64 K69 H80 H84	C64-C67 PolarHBondContact O-N 2.75Å; C67-K69 PolarHBondContact O-N 3.34Å; C67-H80 PolarHBondContact SG-NE2 3.33Å; C67-H84 PolarHBondContact SG-NE2 3.31Å
68	G	72.9	Confident	73.9	Confident	58 Å²	58	75.7 Å²	75.7	60%	0.598	41%	0.411	S	S	*	.			trans	67.7	0.1	179.1	0	0	0	0	0	115.7	C64	C64-G68 WeakPolarHBondContact O-CA 3.46Å; C64-G68 PolarHBondContact O-N 3.33Å
69	K	71.6	Confident	74.6	Confident	124 Å²	124	75 Å²	75	54%	0.539	40%	0.396	S	S	.	.			trans	-71.1	133.9	-176.7	-71.9	-175.5	-178.1	-179.5	0	111.8	C63 C64 C67 F71	C63-K69 CarbonylContact C-O 3.36Å; C64-K69 PolarHBondContact N-O 3.28Å; C67-K69 PolarHBondContact O-N 3.34Å; K69-F71 HydrophobicContact CB-CE2 3.72Å; K69-F71 HydrophobicContact CB-CZ 3.8Å; K69-F71 WeakPolarHBondContact O-CD2 3.33Å; K69-F71 VanDerWaalsContact O-CE2 3.26Å; K69-F71 WeakPolarHBondContact O-CE2 3.49Å
70	R	74.1	Confident	75.1	Confident	149 Å²	149	72.3 Å²	72.3	56%	0.562	38%	0.379	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-99	142.2	178.9	-57.1	-177.4	67	169.6	5.2	111.7	K60 Y62 C63	K60-R70 HydrophobicContact CB-CB 3.51Å; K60-R70 HydrophobicContact CD-CB 4.26Å; K60-R70 VanDerWaalsContact CD-O 3.31Å; K60-R70 WeakPolarHBondContact CD-O 3.46Å; K60-R70 PolarHBondContact O-NE 3.39Å; K60-R70 PolarHBondContact O-NH2 3.23Å; K60-R70 VanDerWaalsContact O-NH2 3.08Å; Y62-R70 CarbonylContact O-C 3.58Å; Y62-R70 VanDerWaalsContact O-CA 3.31Å; Y62-R70 WeakPolarHBondContact O-CA 3.41Å; C63-R70 HydrophobicContact CB-CG 4.45Å
71	F	79.2	Confident	75.3	Confident	31 Å²	31	70.8 Å²	70.8	14%	0.136	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	151.7	-178	-58.4	-85.7	0	0	0	110.8	K60 P61 Y62 C64 K69 I76 L77 H80	K60-F71 CarbonylContact C-O 3.52Å; K60-F71 WeakPolarHBondContact CA-O 3.43Å; P61-F71 WeakPolarHBondContact CD-O 3.35Å; Y62-F71 PolarHBondContact N-O 3.13Å; Y62-F71 PolarHBondContact O-N 3.32Å; C64-F71 HydrophobicContact CB-CE2 4.1Å; K69-F71 HydrophobicContact CB-CE2 3.72Å; K69-F71 HydrophobicContact CB-CZ 3.8Å; K69-F71 WeakPolarHBondContact O-CD2 3.33Å; K69-F71 VanDerWaalsContact O-CE2 3.26Å; K69-F71 WeakPolarHBondContact O-CE2 3.49Å; F71-I76 HydrophobicContact CD1-CB 4.42Å; F71-I76 HydrophobicContact CD1-CG2 3.56Å; F71-I76 HydrophobicContact CE1-CG2 4.18Å; F71-I76 HydrophobicContact CG-CG2 4.36Å; F71-L77 HydrophobicContact CB-CB 4.27Å; F71-L77 HydrophobicContact CD2-CB 3.95Å; F71-L77 HydrophobicContact CD2-CD1 3.64Å; F71-L77 HydrophobicContact CD2-CG 4.37Å; F71-L77 HydrophobicContact CE2-CD1 3.81Å; F71-L77 HydrophobicContact CG-CB 4.24Å; F71-H80 HydrophobicContact CE1-CB 3.94Å; F71-H80 AromaticContact CE1-CG 3.95Å; F71-H80 HydrophobicContact CE2-CB 4.06Å; F71-H80 AromaticContact CE2-CD2 3.44Å; F71-H80 VanDerWaalsContact CE2-CD2 3.44Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.33Å; F71-H80 AromaticContact CE2-CG 3.7Å; F71-H80 HydrophobicContact CZ-CB 3.56Å; F71-H80 AromaticContact CZ-CD2 3.35Å; F71-H80 WeakPolarHBondContact CZ-CD2 3.44Å; F71-H80 AromaticContact CZ-CE1 3.97Å; F71-H80 AromaticContact CZ-CG 3.16Å; F71-H80 AromaticContact CZ-ND1 3.57Å; F71-H80 AromaticContact CZ-NE2 3.85Å
72	N	73.3	Confident	75.7	Confident	48 Å²	48	71 Å²	71	26%	0.257	37%	0.366	S	S	.	.	S	Bend	trans	-86.1	-11.9	178.9	59.6	-1.7	0	0	0	113.1	I54 I76	I54-N72 HydrophobicContact CG2-CB 3.78Å; N72-I76 WeakPolarHBondContact OD1-CD1 3.2Å
73	Q	76.9	Confident	75.5	Confident	48 Å²	48	71.8 Å²	71.8	22%	0.224	38%	0.376	C	S	.	.			trans	-140.8	141.2	177.6	-58.8	-177.6	21.6	0	0	111.4	R51 S75 I76 L77	R51-Q73 HydrophobicContact CG-CG 4.32Å; Q73-S75 VanDerWaalsContact C-N 3.29Å; Q73-S75 PolarHBondContact O-N 2.8Å; Q73-I76 HydrophobicContact CB-CD1 4.01Å; Q73-I76 HydrophobicContact CB-CG1 4.11Å; Q73-I76 HydrophobicContact CG-CD1 4.24Å; Q73-I76 PolarHBondContact O-N 2.8Å; Q73-L77 PolarHBondContact O-N 2.83Å; Q73-L77 VanDerWaalsContact O-N 3.13Å
74	T	76.9	Confident	75.6	Confident	59 Å²	59	72.1 Å²	72.1	36%	0.362	37%	0.37	S	S	.	.	H	α-helix	trans	-60.7	-36	176.4	-34.5	0	0	0	0	112.5	Y62 I76 L77 K78	Y62-T74 HydrophobicContact CD1-CG2 4.33Å; Y62-T74 WeakPolarHBondContact CD1-OG1 3.44Å; Y62-T74 HydrophobicContact CE1-CG2 4.43Å; Y62-T74 WeakPolarHBondContact CE1-OG1 3.26Å; T74-I76 VanDerWaalsContact C-N 3.31Å; T74-I76 PolarHBondContact O-N 2.78Å; T74-L77 PolarHBondContact O-N 3.25Å; T74-K78 WeakPolarHBondContact O-CG 3.37Å; T74-K78 PolarHBondContact O-N 2.81Å
75	S	77.2	Confident	75.3	Confident	67 Å²	67	76.3 Å²	76.3	47%	0.469	40%	0.396	S	S	.	.	H	α-helix	trans	-61.9	-38.4	176.6	53.5	0	0	0	0	112.4	Q73 V79	Q73-S75 VanDerWaalsContact C-N 3.29Å; Q73-S75 PolarHBondContact O-N 2.8Å; S75-V79 WeakPolarHBondContact O-CG2 3.4Å; S75-V79 PolarHBondContact O-N 3.2Å; S75-V79 VanDerWaalsContact O-N 3.09Å
76	I	76.9	Confident	75.2	Confident	71 Å²	71	69.9 Å²	69.9	36%	0.364	38%	0.379	S	S	.	.	H	α-helix	trans	-72.4	-39.3	177.4	-59.6	172.7	0	0	0	110.1	F71 N72 Q73 T74 V79 H80	F71-I76 HydrophobicContact CD1-CB 4.42Å; F71-I76 HydrophobicContact CD1-CG2 3.56Å; F71-I76 HydrophobicContact CE1-CG2 4.18Å; F71-I76 HydrophobicContact CG-CG2 4.36Å; N72-I76 WeakPolarHBondContact OD1-CD1 3.2Å; Q73-I76 HydrophobicContact CB-CD1 4.01Å; Q73-I76 HydrophobicContact CB-CG1 4.11Å; Q73-I76 HydrophobicContact CG-CD1 4.24Å; Q73-I76 PolarHBondContact O-N 2.8Å; T74-I76 VanDerWaalsContact C-N 3.31Å; T74-I76 PolarHBondContact O-N 2.78Å; I76-V79 PolarHBondContact O-N 3.49Å; I76-H80 VanDerWaalsContact O-CB 3.31Å; I76-H80 WeakPolarHBondContact O-CB 3.37Å; I76-H80 PolarHBondContact O-N 3.04Å
77	L	79.9	Confident	75.5	Confident	15 Å²	15	70 Å²	70	8%	0.079	37%	0.372	C	S	.	.	H	α-helix	trans	-60.3	-47.6	171.9	172.8	61.8	0	0	0	111.5	C63 C64 F71 Q73 T74 V79 H80 Q81	C63-L77 WeakPolarHBondContact O-CD2 3.37Å; C64-L77 HydrophobicContact CB-CD1 3.56Å; F71-L77 HydrophobicContact CB-CB 4.27Å; F71-L77 HydrophobicContact CD2-CB 3.95Å; F71-L77 HydrophobicContact CD2-CD1 3.64Å; F71-L77 HydrophobicContact CD2-CG 4.37Å; F71-L77 HydrophobicContact CE2-CD1 3.81Å; F71-L77 HydrophobicContact CG-CB 4.24Å; Q73-L77 PolarHBondContact O-N 2.83Å; Q73-L77 VanDerWaalsContact O-N 3.13Å; T74-L77 PolarHBondContact O-N 3.25Å; L77-V79 VanDerWaalsContact C-N 3.32Å; L77-V79 PolarHBondContact O-N 3.1Å; L77-H80 CarbonylContact O-C 3.57Å; L77-H80 WeakPolarHBondContact O-CA 3.33Å; L77-H80 WeakPolarHBondContact O-CB 3.26Å; L77-H80 PolarHBondContact O-N 3.25Å; L77-Q81 HydrophobicContact CD1-CG 4.08Å; L77-Q81 HydrophobicContact CG-CG 4.42Å; L77-Q81 WeakPolarHBondContact O-CG 3.17Å; L77-Q81 PolarHBondContact O-N 2.8Å
78	K	77.8	Confident	76	Confident	133 Å²	133	74.4 Å²	74.4	58%	0.578	38%	0.382	S	S	*	.	H	α-helix	trans	-57.8	-43	177	-75	-176.3	178.8	-171.6	0	112.1	T74 H80 Q81	T74-K78 WeakPolarHBondContact O-CG 3.37Å; T74-K78 PolarHBondContact O-N 2.81Å; K78-H80 VanDerWaalsContact C-N 3.34Å; K78-Q81 PolarHBondContact O-N 3.36Å
79	V	77.4	Confident	76.4	Confident	35 Å²	35	74.7 Å²	74.7	21%	0.212	37%	0.373	C	S	.	.	H	α-helix	trans	-67.2	-35.8	174.9	169.6	0	0	0	0	112	S75 I76 L77 R82 Q101	S75-V79 WeakPolarHBondContact O-CG2 3.4Å; S75-V79 PolarHBondContact O-N 3.2Å; S75-V79 VanDerWaalsContact O-N 3.09Å; I76-V79 PolarHBondContact O-N 3.49Å; L77-V79 VanDerWaalsContact C-N 3.32Å; L77-V79 PolarHBondContact O-N 3.1Å; V79-R82 WeakPolarHBondContact O-CB 3.48Å; V79-R82 PolarHBondContact O-N 2.79Å; V79-Q101 HydrophobicContact CG1-CG 3.39Å
80	H	79.2	Confident	76.9	Confident	20 Å²	20	71.6 Å²	71.6	9%	0.093	36%	0.36	C	S	.	.	H	α-helix	trans	-68	-39	175.5	172.3	72.1	0	0	0	112.4	C64 C67 F71 I76 L77 K78 R82 I83 H84	C64-H80 VanDerWaalsContact SG-CD2 3.59Å; C67-H80 PolarHBondContact SG-NE2 3.33Å; F71-H80 HydrophobicContact CE1-CB 3.94Å; F71-H80 AromaticContact CE1-CG 3.95Å; F71-H80 HydrophobicContact CE2-CB 4.06Å; F71-H80 AromaticContact CE2-CD2 3.44Å; F71-H80 VanDerWaalsContact CE2-CD2 3.44Å; F71-H80 WeakPolarHBondContact CE2-CD2 3.33Å; F71-H80 AromaticContact CE2-CG 3.7Å; F71-H80 HydrophobicContact CZ-CB 3.56Å; F71-H80 AromaticContact CZ-CD2 3.35Å; F71-H80 WeakPolarHBondContact CZ-CD2 3.44Å; F71-H80 AromaticContact CZ-CE1 3.97Å; F71-H80 AromaticContact CZ-CG 3.16Å; F71-H80 AromaticContact CZ-ND1 3.57Å; F71-H80 AromaticContact CZ-NE2 3.85Å; I76-H80 VanDerWaalsContact O-CB 3.31Å; I76-H80 WeakPolarHBondContact O-CB 3.37Å; I76-H80 PolarHBondContact O-N 3.04Å; L77-H80 CarbonylContact O-C 3.57Å; L77-H80 WeakPolarHBondContact O-CA 3.33Å; L77-H80 WeakPolarHBondContact O-CB 3.26Å; L77-H80 PolarHBondContact O-N 3.25Å; K78-H80 VanDerWaalsContact C-N 3.34Å; H80-R82 PolarHBondContact O-N 2.73Å; H80-I83 VanDerWaalsContact O-CB 3.23Å; H80-I83 WeakPolarHBondContact O-CB 3.38Å; H80-I83 WeakPolarHBondContact O-CG1 3.21Å; H80-I83 PolarHBondContact O-N 2.91Å; H80-H84 AromaticContact NE2-NE2 3.46Å; H80-H84 PolarHBondContact NE2-NE2 3.46Å
81	Q	78	Confident	77.1	Confident	75 Å²	75	67.3 Å²	67.3	35%	0.35	35%	0.353	S	S	.	.	H	α-helix	trans	-59.6	-29.4	177.6	-75.5	170.3	-39.8	0	0	112.5	L77 K78 I83 H84 T85	L77-Q81 HydrophobicContact CD1-CG 4.08Å; L77-Q81 HydrophobicContact CG-CG 4.42Å; L77-Q81 WeakPolarHBondContact O-CG 3.17Å; L77-Q81 PolarHBondContact O-N 2.8Å; K78-Q81 PolarHBondContact O-N 3.36Å; Q81-I83 PolarHBondContact O-N 3.11Å; Q81-I83 VanDerWaalsContact O-N 3.08Å; Q81-H84 WeakPolarHBondContact O-CB 3.12Å; Q81-H84 PolarHBondContact O-N 3.22Å; Q81-T85 PolarHBondContact O-N 3.03Å; Q81-T85 VanDerWaalsContact O-N 3.1Å
82	R	81.8	Confident	77.1	Confident	66 Å²	66	65.9 Å²	65.9	25%	0.249	35%	0.347	C	S	.	.	H	α-helix	trans	-60.3	-17.5	172.3	-61.4	178.6	-173	163.4	1.5	114.4	V79 H80 H84 T85 G86 E87 N100	V79-R82 WeakPolarHBondContact O-CB 3.48Å; V79-R82 PolarHBondContact O-N 2.79Å; H80-R82 PolarHBondContact O-N 2.73Å; R82-H84 VanDerWaalsContact C-N 3.32Å; R82-T85 WeakPolarHBondContact CA-OG1 3.47Å; R82-G86 WeakPolarHBondContact O-CA 3.48Å; R82-G86 PolarHBondContact O-N 3.02Å; R82-G86 VanDerWaalsContact O-N 3.11Å; R82-E87 HydrophobicContact CB-CB 4.27Å; R82-E87 HydrophobicContact CG-CB 4.19Å; R82-E87 PolarHBondContact O-N 3.19Å; R82-N100 HydrophobicContact CB-CB 4.39Å; R82-N100 PolarHBondContact NH1-O 3.37Å
83	I	70.9	Confident	77.3	Confident	105 Å²	105	69.5 Å²	69.5	54%	0.538	37%	0.366	S	S	.	.	H	α-helix	trans	-70.7	-34.3	172.6	-59.7	175.7	0	0	0	110.6	H80 Q81	H80-I83 VanDerWaalsContact O-CB 3.23Å; H80-I83 WeakPolarHBondContact O-CB 3.38Å; H80-I83 WeakPolarHBondContact O-CG1 3.21Å; H80-I83 PolarHBondContact O-N 2.91Å; Q81-I83 PolarHBondContact O-N 3.11Å; Q81-I83 VanDerWaalsContact O-N 3.08Å
84	H	72.4	Confident	77.2	Confident	75 Å²	75	72.2 Å²	72.2	35%	0.347	39%	0.385	S	S	.	.	H	α-helix	trans	-84	-41.5	-179.5	-58.2	-51.4	0	0	0	111.7	C64 T66 C67 H80 Q81 R82 G86	C64-H84 VanDerWaalsContact SG-CD2 3.53Å; C64-H84 PolarHBondContact SG-NE2 3.42Å; C64-H84 VanDerWaalsContact SG-NE2 3.35Å; T66-H84 HydrophobicContact CG2-CB 4.14Å; C67-H84 PolarHBondContact SG-NE2 3.31Å; H80-H84 AromaticContact NE2-NE2 3.46Å; H80-H84 PolarHBondContact NE2-NE2 3.46Å; Q81-H84 WeakPolarHBondContact O-CB 3.12Å; Q81-H84 PolarHBondContact O-N 3.22Å; R82-H84 VanDerWaalsContact C-N 3.32Å; H84-G86 PolarHBondContact O-N 3.12Å
85	T	73.4	Confident	77	Confident	87 Å²	87	71.8 Å²	71.8	53%	0.534	39%	0.385	S	S	.	.	H	α-helix	trans	-77.1	-12.4	177.4	65.4	0	0	0	0	113	Q81 R82 E87	Q81-T85 PolarHBondContact O-N 3.03Å; Q81-T85 VanDerWaalsContact O-N 3.1Å; R82-T85 WeakPolarHBondContact CA-OG1 3.47Å; T85-E87 PolarHBondContact O-N 2.77Å; T85-E87 WeakPolarHBondContact OG1-CG 3.29Å
86	G	70	Confident	76.8	Confident	48 Å²	48	71.2 Å²	71.2	50%	0.495	39%	0.389	S	S	.	.			trans	72.5	2.5	-178	0	0	0	0	0	114.3	R82 H84 R88	R82-G86 WeakPolarHBondContact O-CA 3.48Å; R82-G86 PolarHBondContact O-N 3.02Å; R82-G86 VanDerWaalsContact O-N 3.11Å; H84-G86 PolarHBondContact O-N 3.12Å; G86-R88 PolarHBondContact O-N 3.08Å
87	E	76.1	Confident	76.7	Confident	105 Å²	105	73.8 Å²	73.8	49%	0.491	40%	0.398	S	S	.	.			trans	-59	125.5	-178.9	-78.8	173.9	-150.8	0	0	112.5	R82 T85	R82-E87 HydrophobicContact CB-CB 4.27Å; R82-E87 HydrophobicContact CG-CB 4.19Å; R82-E87 PolarHBondContact O-N 3.19Å; T85-E87 PolarHBondContact O-N 2.77Å; T85-E87 WeakPolarHBondContact OG1-CG 3.29Å
88	R	79.5	Confident	76.7	Confident	143 Å²	143	80.1 Å²	80.1	54%	0.54	42%	0.421	S	S	.	.			trans	-128.9	79.1	175.9	-66.9	173.6	177.4	-149.5	11.4	110	G86 F90 R98 F99	G86-R88 PolarHBondContact O-N 3.08Å; R88-F90 PolarHBondContact O-N 3.16Å; R88-R98 HydrophobicContact CB-CB 3.57Å; R88-R98 WeakPolarHBondContact CD-O 3.35Å; R88-R98 PolarHBondContact NH1-O 3.32Å; R88-R98 PolarHBondContact O-NE 3.44Å; R88-R98 PolarHBondContact O-NH2 3.33Å; R88-R98 VanDerWaalsContact O-NH2 3.08Å; R88-F99 CarbonylContact C-O 3.37Å; R88-F99 VanDerWaalsContact C-O 3.24Å; R88-F99 VanDerWaalsContact CA-O 3.27Å; R88-F99 WeakPolarHBondContact CA-O 3.46Å
89	P	81.8	Confident	77	Confident	65 Å²	65	75.3 Å²	75.3	42%	0.422	40%	0.4	S	S	.	.			trans	-68.4	-19.1	-172.6	-21.4	34.7	0	0	0	114.1
90	F	82.6	Confident	77	Confident	59 Å²	59	75.4 Å²	75.4	26%	0.259	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	109.5	-171.5	-54.9	-76	0	0	0	110.8	R88 R98 F99 Q101 K102 L105	R88-F90 PolarHBondContact O-N 3.16Å; F90-R98 CarbonylContact O-C 3.53Å; F90-R98 WeakPolarHBondContact O-CA 3.3Å; F90-F99 HydrophobicContact CB-CB 4.42Å; F90-F99 PolarHBondContact N-O 2.88Å; F90-F99 VanDerWaalsContact N-O 3.09Å; F90-F99 PolarHBondContact O-N 3Å; F90-Q101 VanDerWaalsContact CD2-C 3.4Å; F90-K102 HydrophobicContact CD1-CB 3.93Å; F90-K102 HydrophobicContact CD1-CG 4.32Å; F90-K102 HydrophobicContact CE1-CB 3.77Å; F90-K102 HydrophobicContact CE1-CD 4.38Å; F90-K102 HydrophobicContact CE1-CG 4.32Å; F90-K102 HydrophobicContact CE2-CB 4.36Å; F90-K102 HydrophobicContact CG-CB 4.3Å; F90-K102 HydrophobicContact CZ-CB 3.99Å; F90-L105 HydrophobicContact CB-CB 4.25Å; F90-L105 HydrophobicContact CB-CD2 3.86Å
91	S	77.3	Confident	77.1	Confident	59 Å²	59	77.7 Å²	77.7	41%	0.413	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.8	151.9	176.1	46.2	0	0	0	0	112.5	K97 L105	S91-K97 CarbonylContact C-O 3.52Å; S91-K97 WeakPolarHBondContact CA-O 3.43Å; S91-L105 WeakPolarHBondContact O-CD1 3.29Å; S91-L105 WeakPolarHBondContact O-CD2 3.31Å
92	C	79.9	Confident	77.2	Confident	1 Å²	1	80.4 Å²	80.4	1%	0.007	42%	0.42	C	S	.	.			trans	-93.9	118.1	169.4	177.4	0	0	0	0	110.1	V94 C95 G96 K97 F99 L105 H112	C92-V94 PolarHBondContact O-N 2.86Å; C92-C95 PolarHBondContact O-N 2.91Å; C92-C95 VanDerWaalsContact SG-SG 3.62Å; C92-G96 VanDerWaalsContact O-CA 3.3Å; C92-G96 WeakPolarHBondContact O-CA 3.48Å; C92-G96 PolarHBondContact O-N 3.36Å; C92-K97 PolarHBondContact N-O 3.29Å; C92-F99 HydrophobicContact CB-CE2 4.06Å; C92-L105 HydrophobicContact CB-CD1 3.62Å; C92-H112 VanDerWaalsContact SG-CD2 3.57Å; C92-H112 PolarHBondContact SG-NE2 3.23Å; C92-H112 VanDerWaalsContact SG-NE2 3.36Å
93	D	78.2	Confident	77.1	Confident	123 Å²	123	80.4 Å²	80.4	66%	0.658	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-22	-174.7	-37.8	-44.7	0	0	0	112.8	K109	D93-K109 WeakPolarHBondContact OD2-CE 3.45Å; D93-K109 IonicContact OD2-NZ 2.72Å; D93-K109 PolarHBondContact OD2-NZ 3.35Å
94	V	73	Confident	77.3	Confident	105 Å²	105	78.7 Å²	78.7	64%	0.636	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	-31.2	-178.7	-177.5	0	0	0	0	113.3	C92 H112	C92-V94 PolarHBondContact O-N 2.86Å; V94-H112 HydrophobicContact CG1-CB 4.17Å; V94-H112 HydrophobicContact CG2-CB 4.49Å
95	C	73	Confident	77.7	Confident	51 Å²	51	75.8 Å²	75.8	35%	0.345	41%	0.408	S	S	.	.	T	Hydrogen-bonded Turn	trans	-136.3	8.7	-172.3	72.4	0	0	0	0	114.8	C92 K97 H108 H112	C92-C95 PolarHBondContact O-N 2.91Å; C92-C95 VanDerWaalsContact SG-SG 3.62Å; C95-K97 PolarHBondContact O-N 3.25Å; C95-H108 PolarHBondContact SG-NE2 3.02Å; C95-H112 PolarHBondContact SG-NE2 3.28Å
96	G	74.6	Confident	77.9	Confident	55 Å²	55	75.5 Å²	75.5	57%	0.567	40%	0.404	S	S	*	.			trans	67.2	-1.4	179.1	0	0	0	0	0	115.7	C92 R98	C92-G96 VanDerWaalsContact O-CA 3.3Å; C92-G96 WeakPolarHBondContact O-CA 3.48Å; C92-G96 PolarHBondContact O-N 3.36Å; G96-R98 PolarHBondContact O-N 2.79Å
97	K	74.8	Confident	78.1	Confident	124 Å²	124	76.4 Å²	76.4	54%	0.539	40%	0.399	S	S	.	.			trans	-66.8	130.8	-176.3	-75	-179.7	-178.5	169	0	111.8	S91 C92 C95 F99	S91-K97 CarbonylContact C-O 3.52Å; S91-K97 WeakPolarHBondContact CA-O 3.43Å; C92-K97 PolarHBondContact N-O 3.29Å; C95-K97 PolarHBondContact O-N 3.25Å; K97-F99 HydrophobicContact CB-CE2 3.78Å; K97-F99 HydrophobicContact CB-CZ 3.86Å; K97-F99 WeakPolarHBondContact O-CD2 3.17Å; K97-F99 WeakPolarHBondContact O-CE2 3.49Å
98	R	80.1	Confident	78.1	Confident	149 Å²	149	72.3 Å²	72.3	56%	0.562	38%	0.38	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-98.2	140.2	179	-55.7	-177.1	65.5	163.8	4.3	112.5	R88 F90 G96	R88-R98 HydrophobicContact CB-CB 3.57Å; R88-R98 WeakPolarHBondContact CD-O 3.35Å; R88-R98 PolarHBondContact NH1-O 3.32Å; R88-R98 PolarHBondContact O-NE 3.44Å; R88-R98 PolarHBondContact O-NH2 3.33Å; R88-R98 VanDerWaalsContact O-NH2 3.08Å; F90-R98 CarbonylContact O-C 3.53Å; F90-R98 WeakPolarHBondContact O-CA 3.3Å; G96-R98 PolarHBondContact O-N 2.79Å
99	F	82.5	Confident	77.8	Confident	32 Å²	32	69.2 Å²	69.2	14%	0.14	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	150.1	-175.9	-58.4	-85.8	0	0	0	111.1	R88 F90 C92 K97 I104 L105 H108	R88-F99 CarbonylContact C-O 3.37Å; R88-F99 VanDerWaalsContact C-O 3.24Å; R88-F99 VanDerWaalsContact CA-O 3.27Å; R88-F99 WeakPolarHBondContact CA-O 3.46Å; F90-F99 HydrophobicContact CB-CB 4.42Å; F90-F99 PolarHBondContact N-O 2.88Å; F90-F99 VanDerWaalsContact N-O 3.09Å; F90-F99 PolarHBondContact O-N 3Å; C92-F99 HydrophobicContact CB-CE2 4.06Å; K97-F99 HydrophobicContact CB-CE2 3.78Å; K97-F99 HydrophobicContact CB-CZ 3.86Å; K97-F99 WeakPolarHBondContact O-CD2 3.17Å; K97-F99 WeakPolarHBondContact O-CE2 3.49Å; F99-I104 HydrophobicContact CD1-CB 4.38Å; F99-I104 HydrophobicContact CD1-CG2 3.57Å; F99-I104 HydrophobicContact CE1-CG2 4.14Å; F99-I104 HydrophobicContact CG-CG2 4.4Å; F99-L105 HydrophobicContact CB-CB 4.31Å; F99-L105 HydrophobicContact CD2-CB 3.97Å; F99-L105 HydrophobicContact CD2-CD1 3.7Å; F99-L105 HydrophobicContact CD2-CG 4.42Å; F99-L105 HydrophobicContact CE2-CD1 3.85Å; F99-L105 HydrophobicContact CG-CB 4.27Å; F99-H108 HydrophobicContact CE1-CB 3.93Å; F99-H108 AromaticContact CE1-CG 3.95Å; F99-H108 HydrophobicContact CE2-CB 4.06Å; F99-H108 AromaticContact CE2-CD2 3.48Å; F99-H108 VanDerWaalsContact CE2-CD2 3.48Å; F99-H108 WeakPolarHBondContact CE2-CD2 3.33Å; F99-H108 AromaticContact CE2-CG 3.74Å; F99-H108 HydrophobicContact CZ-CB 3.54Å; F99-H108 AromaticContact CZ-CD2 3.34Å; F99-H108 WeakPolarHBondContact CZ-CD2 3.47Å; F99-H108 AromaticContact CZ-CE1 3.97Å; F99-H108 AromaticContact CZ-CG 3.16Å; F99-H108 AromaticContact CZ-ND1 3.59Å; F99-H108 AromaticContact CZ-NE2 3.83Å
100	N	78.8	Confident	77.4	Confident	36 Å²	36	70.6 Å²	70.6	19%	0.193	37%	0.37	C	S	.	.	S	Bend	trans	-85.7	-13.1	-179.3	61.9	2.7	0	0	0	113.8	R82 I104	R82-N100 HydrophobicContact CB-CB 4.39Å; R82-N100 PolarHBondContact NH1-O 3.37Å; N100-I104 WeakPolarHBondContact OD1-CD1 3.2Å
101	Q	81.4	Confident	76.6	Confident	69 Å²	69	72.1 Å²	72.1	32%	0.322	38%	0.38	S	S	.	.	S	Bend	trans	-138.4	140.5	178.6	-63.9	-179.6	39.5	0	0	111.5	V79 F90 S103 I104 L105	V79-Q101 HydrophobicContact CG1-CG 3.39Å; F90-Q101 VanDerWaalsContact CD2-C 3.4Å; Q101-S103 VanDerWaalsContact C-N 3.32Å; Q101-S103 PolarHBondContact O-N 3.01Å; Q101-S103 PolarHBondContact OE1-OG 3.24Å; Q101-I104 HydrophobicContact CB-CD1 4.05Å; Q101-I104 HydrophobicContact CB-CG1 4.06Å; Q101-I104 HydrophobicContact CG-CD1 4.35Å; Q101-I104 PolarHBondContact O-N 2.89Å; Q101-L105 PolarHBondContact O-N 3.31Å
102	K	79.8	Confident	76.2	Confident	132 Å²	132	72.7 Å²	72.7	57%	0.574	38%	0.376	S	S	*	.	H	α-helix	trans	-61.5	-36.5	176.4	-169.7	171.5	-178.5	174.9	0	112.7	F90 I104 L105 N106	F90-K102 HydrophobicContact CD1-CB 3.93Å; F90-K102 HydrophobicContact CD1-CG 4.32Å; F90-K102 HydrophobicContact CE1-CB 3.77Å; F90-K102 HydrophobicContact CE1-CD 4.38Å; F90-K102 HydrophobicContact CE1-CG 4.32Å; F90-K102 HydrophobicContact CE2-CB 4.36Å; F90-K102 HydrophobicContact CG-CB 4.3Å; F90-K102 HydrophobicContact CZ-CB 3.99Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 3.06Å; K102-L105 PolarHBondContact O-N 2.85Å; K102-N106 VanDerWaalsContact O-CG 3.29Å; K102-N106 PolarHBondContact O-N 3.01Å; K102-N106 PolarHBondContact O-OD1 3.38Å
103	S	78.6	Confident	75.4	Confident	65 Å²	65	74.7 Å²	74.7	46%	0.455	39%	0.39	S	S	.	.	H	α-helix	trans	-59.1	-41.3	175.7	54.1	0	0	0	0	112.5	Q101 N106 V107	Q101-S103 VanDerWaalsContact C-N 3.32Å; Q101-S103 PolarHBondContact O-N 3.01Å; Q101-S103 PolarHBondContact OE1-OG 3.24Å; S103-N106 PolarHBondContact O-N 3.15Å; S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.41Å
104	I	76.7	Confident	74.6	Confident	70 Å²	70	75.3 Å²	75.3	36%	0.359	40%	0.398	S	S	.	.	H	α-helix	trans	-70.9	-39.8	179	-58.3	175.9	0	0	0	110.7	F99 N100 Q101 K102 N106 V107 H108	F99-I104 HydrophobicContact CD1-CB 4.38Å; F99-I104 HydrophobicContact CD1-CG2 3.57Å; F99-I104 HydrophobicContact CE1-CG2 4.14Å; F99-I104 HydrophobicContact CG-CG2 4.4Å; N100-I104 WeakPolarHBondContact OD1-CD1 3.2Å; Q101-I104 HydrophobicContact CB-CD1 4.05Å; Q101-I104 HydrophobicContact CB-CG1 4.06Å; Q101-I104 HydrophobicContact CG-CD1 4.35Å; Q101-I104 PolarHBondContact O-N 2.89Å; K102-I104 VanDerWaalsContact C-N 3.33Å; K102-I104 PolarHBondContact O-N 3.06Å; I104-N106 VanDerWaalsContact C-N 3.35Å; I104-V107 PolarHBondContact O-N 3.1Å; I104-H108 WeakPolarHBondContact O-CB 3.37Å; I104-H108 PolarHBondContact O-N 3.34Å
105	L	79.6	Confident	74.1	Confident	13 Å²	13	77.2 Å²	77.2	7%	0.068	40%	0.4	C	S	.	.	H	α-helix	trans	-59	-45.9	171.8	171.8	62.5	0	0	0	111	F90 S91 C92 F99 Q101 K102 V107 H108 K109	F90-L105 HydrophobicContact CB-CB 4.25Å; F90-L105 HydrophobicContact CB-CD2 3.86Å; S91-L105 WeakPolarHBondContact O-CD1 3.29Å; S91-L105 WeakPolarHBondContact O-CD2 3.31Å; C92-L105 HydrophobicContact CB-CD1 3.62Å; F99-L105 HydrophobicContact CB-CB 4.31Å; F99-L105 HydrophobicContact CD2-CB 3.97Å; F99-L105 HydrophobicContact CD2-CD1 3.7Å; F99-L105 HydrophobicContact CD2-CG 4.42Å; F99-L105 HydrophobicContact CE2-CD1 3.85Å; F99-L105 HydrophobicContact CG-CB 4.27Å; Q101-L105 PolarHBondContact O-N 3.31Å; K102-L105 PolarHBondContact O-N 2.85Å; L105-V107 VanDerWaalsContact C-N 3.31Å; L105-V107 PolarHBondContact O-N 3.2Å; L105-H108 CarbonylContact O-C 3.45Å; L105-H108 WeakPolarHBondContact O-CA 3.32Å; L105-H108 WeakPolarHBondContact O-CB 3.29Å; L105-H108 PolarHBondContact O-N 3.36Å; L105-K109 HydrophobicContact CD1-CD 4.49Å; L105-K109 HydrophobicContact CD1-CG 4.1Å; L105-K109 HydrophobicContact CG-CD 4.47Å; L105-K109 HydrophobicContact CG-CG 4.43Å; L105-K109 WeakPolarHBondContact O-CG 3.37Å; L105-K109 PolarHBondContact O-N 3.3Å
106	N	78.9	Confident	74	Confident	81 Å²	81	80.4 Å²	80.4	43%	0.433	41%	0.405	S	S	.	.	H	α-helix	trans	-61.7	-39.4	178.6	-70.4	-6.6	0	0	0	112	K102 S103 I104 H108	K102-N106 VanDerWaalsContact O-CG 3.29Å; K102-N106 PolarHBondContact O-N 3.01Å; K102-N106 PolarHBondContact O-OD1 3.38Å; S103-N106 PolarHBondContact O-N 3.15Å; I104-N106 VanDerWaalsContact C-N 3.35Å; N106-H108 VanDerWaalsContact C-N 3.34Å
107	V	72.3	Confident	73.9	Confident	67 Å²	67	81.7 Å²	81.7	41%	0.406	40%	0.403	S	S	.	.	H	α-helix	trans	-67.3	-35.8	173.2	173.9	0	0	0	0	111.6	S103 I104 L105 K110	S103-V107 WeakPolarHBondContact O-CG2 3.43Å; S103-V107 PolarHBondContact O-N 3.41Å; I104-V107 PolarHBondContact O-N 3.1Å; L105-V107 VanDerWaalsContact C-N 3.31Å; L105-V107 PolarHBondContact O-N 3.2Å; V107-K110 WeakPolarHBondContact O-CB 3.36Å
108	H	75.9	Confident	73.8	Confident	19 Å²	19	79.2 Å²	79.2	9%	0.088	39%	0.391	C	S	.	.	H	α-helix	trans	-70.3	-37.8	176.4	175.7	73.4	0	0	0	112.8	C95 F99 I104 L105 N106 K110 I111 H112	C95-H108 PolarHBondContact SG-NE2 3.02Å; F99-H108 HydrophobicContact CE1-CB 3.93Å; F99-H108 AromaticContact CE1-CG 3.95Å; F99-H108 HydrophobicContact CE2-CB 4.06Å; F99-H108 AromaticContact CE2-CD2 3.48Å; F99-H108 VanDerWaalsContact CE2-CD2 3.48Å; F99-H108 WeakPolarHBondContact CE2-CD2 3.33Å; F99-H108 AromaticContact CE2-CG 3.74Å; F99-H108 HydrophobicContact CZ-CB 3.54Å; F99-H108 AromaticContact CZ-CD2 3.34Å; F99-H108 WeakPolarHBondContact CZ-CD2 3.47Å; F99-H108 AromaticContact CZ-CE1 3.97Å; F99-H108 AromaticContact CZ-CG 3.16Å; F99-H108 AromaticContact CZ-ND1 3.59Å; F99-H108 AromaticContact CZ-NE2 3.83Å; I104-H108 WeakPolarHBondContact O-CB 3.37Å; I104-H108 PolarHBondContact O-N 3.34Å; L105-H108 CarbonylContact O-C 3.45Å; L105-H108 WeakPolarHBondContact O-CA 3.32Å; L105-H108 WeakPolarHBondContact O-CB 3.29Å; L105-H108 PolarHBondContact O-N 3.36Å; N106-H108 VanDerWaalsContact C-N 3.34Å; H108-K110 PolarHBondContact O-N 2.88Å; H108-I111 WeakPolarHBondContact O-CB 3.29Å; H108-I111 VanDerWaalsContact O-CG1 3.32Å; H108-I111 WeakPolarHBondContact O-CG1 2.88Å; H108-I111 PolarHBondContact O-N 2.86Å; H108-H112 AromaticContact CD2-NE2 3.9Å; H108-H112 AromaticContact CE1-NE2 3.92Å; H108-H112 AromaticContact NE2-NE2 3.22Å; H108-H112 PolarHBondContact NE2-NE2 3.1Å
109	K	73.8	Confident	73	Confident	79 Å²	79	74.6 Å²	74.6	34%	0.343	38%	0.381	S	S	.	.	H	α-helix	trans	-58.1	-31.1	176.4	-75.3	-172.4	172.7	-163.6	0	111.8	D93 L105 I111 H112 S113	D93-K109 WeakPolarHBondContact OD2-CE 3.45Å; D93-K109 IonicContact OD2-NZ 2.72Å; D93-K109 PolarHBondContact OD2-NZ 3.35Å; L105-K109 HydrophobicContact CD1-CD 4.49Å; L105-K109 HydrophobicContact CD1-CG 4.1Å; L105-K109 HydrophobicContact CG-CD 4.47Å; L105-K109 HydrophobicContact CG-CG 4.43Å; L105-K109 WeakPolarHBondContact O-CG 3.37Å; L105-K109 PolarHBondContact O-N 3.3Å; K109-I111 PolarHBondContact O-N 2.82Å; K109-I111 VanDerWaalsContact O-N 3.09Å; K109-H112 PolarHBondContact O-N 2.98Å; K109-S113 PolarHBondContact O-N 3.04Å
110	K	74.1	Confident	72.6	Confident	93 Å²	93	73.1 Å²	73.1	40%	0.404	37%	0.374	S	S	.	.	H	α-helix	trans	-64.3	-8.8	171.3	-59.8	-177.5	178.3	-169.2	0	114.6	V107 H108 S113 K128	V107-K110 WeakPolarHBondContact O-CB 3.36Å; H108-K110 PolarHBondContact O-N 2.88Å; K110-S113 WeakPolarHBondContact CA-OG 3.34Å; K110-S113 PolarHBondContact O-OG 2.82Å; K110-K128 WeakPolarHBondContact O-CD 3.2Å
111	I	65.6	Low	72.1	Confident	92 Å²	92	78.1 Å²	78.1	47%	0.472	40%	0.401	S	S	.	.	H	α-helix	trans	-79.1	-32.2	171.6	-57.7	179.3	0	0	0	110.6	H108 K109 K128	H108-I111 WeakPolarHBondContact O-CB 3.29Å; H108-I111 VanDerWaalsContact O-CG1 3.32Å; H108-I111 WeakPolarHBondContact O-CG1 2.88Å; H108-I111 PolarHBondContact O-N 2.86Å; K109-I111 PolarHBondContact O-N 2.82Å; K109-I111 VanDerWaalsContact O-N 3.09Å; I111-K128 PolarHBondContact O-NZ 3.48Å
112	H	67.7	Low	71.3	Confident	70 Å²	70	81.4 Å²	81.4	32%	0.324	42%	0.415	S	S	.	.	H	α-helix	trans	-82.6	-20.8	178.9	-57.8	-55.3	0	0	0	112.4	C92 V94 C95 H108 K109 V114	C92-H112 VanDerWaalsContact SG-CD2 3.57Å; C92-H112 PolarHBondContact SG-NE2 3.23Å; C92-H112 VanDerWaalsContact SG-NE2 3.36Å; V94-H112 HydrophobicContact CG1-CB 4.17Å; V94-H112 HydrophobicContact CG2-CB 4.49Å; C95-H112 PolarHBondContact SG-NE2 3.28Å; H108-H112 AromaticContact CD2-NE2 3.9Å; H108-H112 AromaticContact CE1-NE2 3.92Å; H108-H112 AromaticContact NE2-NE2 3.22Å; H108-H112 PolarHBondContact NE2-NE2 3.1Å; K109-H112 PolarHBondContact O-N 2.98Å; H112-V114 PolarHBondContact O-N 3.19Å
113	S	64.7	Low	70.8	Confident	43 Å²	43	78.1 Å²	78.1	30%	0.301	41%	0.408	S	S	.	.			trans	-68.7	130.7	168.5	63.4	0	0	0	0	110.8	K109 K110 K128	K109-S113 PolarHBondContact O-N 3.04Å; K110-S113 WeakPolarHBondContact CA-OG 3.34Å; K110-S113 PolarHBondContact O-OG 2.82Å; S113-K128 PolarHBondContact O-NZ 3.21Å; S113-K128 VanDerWaalsContact O-NZ 3.07Å
114	V	60.3	Low	70.1	Confident	137 Å²	137	77.5 Å²	77.5	83%	0.83	41%	0.411	S	S	*	.			trans	-68.7	-29	171.2	179.9	0	0	0	0	110.2	H112 R116	H112-V114 PolarHBondContact O-N 3.19Å; V114-R116 PolarHBondContact O-N 3.49Å
115	E	63.5	Low	69.6	Low	144 Å²	144	81.4 Å²	81.4	67%	0.673	42%	0.421	S	S	*	.			trans	-61.3	125.4	178.4	-65.9	-177.1	175	0	0	112.3	P117	E115-P117 VanDerWaalsContact C-CD 3.5Å; E115-P117 VanDerWaalsContact O-CD 3.32Å; E115-P117 WeakPolarHBondContact O-CD 3.24Å
116	R	69.4	Low	69.1	Low	119 Å²	119	87.2 Å²	87.2	45%	0.449	44%	0.442	S	S	.	.			trans	-114.1	83.1	170.5	-65.1	-176.8	174.5	-156.4	10	107.4	V114 Y118 R126 F127 K128	V114-R116 PolarHBondContact O-N 3.49Å; R116-Y118 PolarHBondContact O-N 3.16Å; R116-R126 HydrophobicContact CB-CB 3.47Å; R116-R126 VanDerWaalsContact CB-CB 3.47Å; R116-R126 WeakPolarHBondContact CD-O 3.47Å; R116-R126 HydrophobicContact CG-CB 4.34Å; R116-R126 PolarHBondContact NH1-O 3.49Å; R116-R126 PolarHBondContact O-NE 3.39Å; R116-R126 PolarHBondContact O-NH2 3.26Å; R116-R126 VanDerWaalsContact O-NH2 3.09Å; R116-F127 CarbonylContact C-O 3.48Å; R116-F127 WeakPolarHBondContact CA-O 3.4Å; R116-K128 HydrophobicContact CG-CG 3.85Å
117	P	72.6	Confident	69	Low	82 Å²	82	84.7 Å²	84.7	53%	0.532	43%	0.428	S	S	.	.			trans	-71.9	-15.4	-167.8	24.8	-32.3	0	0	0	113.5	E115	E115-P117 VanDerWaalsContact C-CD 3.5Å; E115-P117 VanDerWaalsContact O-CD 3.32Å; E115-P117 WeakPolarHBondContact O-CD 3.24Å
118	Y	74	Confident	69	Low	71 Å²	71	84.5 Å²	84.5	28%	0.278	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.1	105.2	-177.6	-54.3	-73.4	0	0	0	109.8	R116 R126 F127 K130	R116-Y118 PolarHBondContact O-N 3.16Å; Y118-R126 CarbonylContact O-C 3.21Å; Y118-R126 WeakPolarHBondContact O-CA 3.44Å; Y118-F127 PolarHBondContact N-O 2.78Å; Y118-F127 PolarHBondContact O-N 3.07Å; Y118-K130 HydrophobicContact CD1-CB 3.93Å; Y118-K130 HydrophobicContact CD1-CG 4.24Å; Y118-K130 VanDerWaalsContact CD2-N 3.33Å; Y118-K130 HydrophobicContact CE1-CB 3.67Å; Y118-K130 HydrophobicContact CE1-CG 4.18Å; Y118-K130 HydrophobicContact CE2-CB 4.4Å; Y118-K130 VanDerWaalsContact CE2-N 3.31Å; Y118-K130 HydrophobicContact CG-CB 4.41Å
119	C	63.5	Low	68.9	Low	53 Å²	53	86.2 Å²	86.2	36%	0.358	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	147	176	-161.8	0	0	0	0	110.9	L133	C119-L133 WeakPolarHBondContact O-CD1 3.39Å; C119-L133 WeakPolarHBondContact O-CD2 3.32Å
120	C	73.4	Confident	69	Low	0 Å²	0	88.4 Å²	88.4	0%	0	44%	0.439	C	S	.	.			trans	-93.5	115.8	167.6	179.9	0	0	0	0	109.6	F122 C123 G124 R125 F127 L133 H136 H140	C120-F122 PolarHBondContact O-N 3.21Å; C120-C123 PolarHBondContact O-N 3.16Å; C120-C123 VanDerWaalsContact SG-SG 3.64Å; C120-G124 VanDerWaalsContact O-CA 3.31Å; C120-G124 WeakPolarHBondContact O-CA 3.24Å; C120-G124 PolarHBondContact O-N 3.36Å; C120-R125 HydrophobicContact CB-CB 4.45Å; C120-R125 WeakPolarHBondContact CB-O 3.46Å; C120-R125 PolarHBondContact N-O 2.8Å; C120-F127 HydrophobicContact CB-CE2 4.09Å; C120-L133 VanDerWaalsContact CA-CD1 3.5Å; C120-L133 HydrophobicContact CB-CD1 3.52Å; C120-H136 VanDerWaalsContact SG-CD2 3.52Å; C120-H140 PolarHBondContact SG-CD2 2.76Å; C120-H140 PolarHBondContact SG-NE2 3.17Å; C120-H140 VanDerWaalsContact SG-NE2 3.42Å
121	D	68.8	Low	68.9	Low	142 Å²	142	86.8 Å²	86.8	76%	0.759	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-24.1	-175	-51.5	-36.8	0	0	0	112.6
122	F	63.4	Low	69.3	Low	138 Å²	138	88.2 Å²	88.2	61%	0.605	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.6	-23.7	179.3	-61.9	-79.3	0	0	0	115.1	C120 I137 H140	C120-F122 PolarHBondContact O-N 3.21Å; F122-I137 HydrophobicContact CD2-CG2 4.35Å; F122-I137 HydrophobicContact CE2-CG2 3.97Å; F122-H140 HydrophobicContact CB-CB 3.9Å; F122-H140 VanDerWaalsContact CB-CG 3.43Å; F122-H140 HydrophobicContact CD1-CB 4.22Å; F122-H140 HydrophobicContact CD2-CB 3.88Å; F122-H140 HydrophobicContact CE2-CB 4.49Å; F122-H140 HydrophobicContact CG-CB 3.73Å; F122-H140 AromaticContact CG-CG 3.83Å
123	C	70.7	Confident	69.6	Low	63 Å²	63	85.8 Å²	85.8	43%	0.426	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.5	9.6	-175.3	68.9	0	0	0	0	115	C120 R125 H136 H140	C120-C123 PolarHBondContact O-N 3.16Å; C120-C123 VanDerWaalsContact SG-SG 3.64Å; C123-R125 PolarHBondContact O-N 2.9Å; C123-R125 VanDerWaalsContact SG-CB 3.54Å; C123-H136 PolarHBondContact SG-NE2 3.34Å; C123-H140 PolarHBondContact SG-NE2 2.86Å
124	G	63.5	Low	69.9	Low	51 Å²	51	88.4 Å²	88.4	53%	0.526	44%	0.439	S	S	.	.			trans	66.2	4.8	179.8	0	0	0	0	0	115	C120 R126	C120-G124 VanDerWaalsContact O-CA 3.31Å; C120-G124 WeakPolarHBondContact O-CA 3.24Å; C120-G124 PolarHBondContact O-N 3.36Å; G124-R126 PolarHBondContact O-N 3.32Å
125	R	66.5	Low	70.2	Confident	152 Å²	152	83.9 Å²	83.9	57%	0.574	41%	0.413	S	S	*	.			trans	-74.8	124.6	-173.3	-160	173.3	-167.1	-168.8	7.5	110.7	C120 C123 F127	C120-R125 HydrophobicContact CB-CB 4.45Å; C120-R125 WeakPolarHBondContact CB-O 3.46Å; C120-R125 PolarHBondContact N-O 2.8Å; C123-R125 PolarHBondContact O-N 2.9Å; C123-R125 VanDerWaalsContact SG-CB 3.54Å; R125-F127 HydrophobicContact CB-CE2 3.93Å; R125-F127 HydrophobicContact CB-CZ 4.22Å; R125-F127 HydrophobicContact CG-CE2 4.1Å; R125-F127 HydrophobicContact CG-CZ 4Å; R125-F127 WeakPolarHBondContact O-CD2 3.41Å; R125-F127 WeakPolarHBondContact O-CE2 3.19Å
126	R	69.1	Low	70.6	Confident	135 Å²	135	78.3 Å²	78.3	51%	0.509	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	138.6	-178	-54.6	-178.1	66.4	168.3	5.5	112.7	R116 Y118 G124	R116-R126 HydrophobicContact CB-CB 3.47Å; R116-R126 VanDerWaalsContact CB-CB 3.47Å; R116-R126 WeakPolarHBondContact CD-O 3.47Å; R116-R126 HydrophobicContact CG-CB 4.34Å; R116-R126 PolarHBondContact NH1-O 3.49Å; R116-R126 PolarHBondContact O-NE 3.39Å; R116-R126 PolarHBondContact O-NH2 3.26Å; R116-R126 VanDerWaalsContact O-NH2 3.09Å; Y118-R126 CarbonylContact O-C 3.21Å; Y118-R126 WeakPolarHBondContact O-CA 3.44Å; G124-R126 PolarHBondContact O-N 3.32Å
127	F	75.6	Confident	70.5	Confident	29 Å²	29	74.9 Å²	74.9	13%	0.127	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	148.9	-177.3	-62.7	-90.9	0	0	0	111.8	R116 Y118 C120 R125 K132 L133 H136	R116-F127 CarbonylContact C-O 3.48Å; R116-F127 WeakPolarHBondContact CA-O 3.4Å; Y118-F127 PolarHBondContact N-O 2.78Å; Y118-F127 PolarHBondContact O-N 3.07Å; C120-F127 HydrophobicContact CB-CE2 4.09Å; R125-F127 HydrophobicContact CB-CE2 3.93Å; R125-F127 HydrophobicContact CB-CZ 4.22Å; R125-F127 HydrophobicContact CG-CE2 4.1Å; R125-F127 HydrophobicContact CG-CZ 4Å; R125-F127 WeakPolarHBondContact O-CD2 3.41Å; R125-F127 WeakPolarHBondContact O-CE2 3.19Å; F127-K132 HydrophobicContact CB-CB 4.45Å; F127-K132 HydrophobicContact CD1-CB 3.9Å; F127-L133 HydrophobicContact CB-CB 4.13Å; F127-L133 HydrophobicContact CD2-CB 3.91Å; F127-L133 HydrophobicContact CD2-CD1 3.68Å; F127-L133 HydrophobicContact CD2-CG 4.41Å; F127-L133 HydrophobicContact CE2-CD1 3.92Å; F127-L133 HydrophobicContact CG-CB 4.08Å; F127-H136 HydrophobicContact CE1-CB 3.82Å; F127-H136 AromaticContact CE1-CG 3.98Å; F127-H136 HydrophobicContact CE2-CB 4.01Å; F127-H136 AromaticContact CE2-CD2 3.22Å; F127-H136 WeakPolarHBondContact CE2-CD2 3.44Å; F127-H136 AromaticContact CE2-CG 3.67Å; F127-H136 AromaticContact CE2-NE2 3.84Å; F127-H136 HydrophobicContact CZ-CB 3.42Å; F127-H136 VanDerWaalsContact CZ-CB 3.42Å; F127-H136 AromaticContact CZ-CD2 3.18Å; F127-H136 WeakPolarHBondContact CZ-CD2 3.34Å; F127-H136 AromaticContact CZ-CG 3.13Å; F127-H136 AromaticContact CZ-ND1 3.73Å; F127-H136 AromaticContact CZ-NE2 3.73Å
128	K	72.2	Confident	70.2	Confident	62 Å²	62	74.1 Å²	74.1	27%	0.27	37%	0.368	S	S	.	.	S	Bend	trans	-83.3	-13.7	177.9	-64.9	-175.2	168	-153.3	0	113.6	K110 I111 S113 R116	K110-K128 WeakPolarHBondContact O-CD 3.2Å; I111-K128 PolarHBondContact O-NZ 3.48Å; S113-K128 PolarHBondContact O-NZ 3.21Å; S113-K128 VanDerWaalsContact O-NZ 3.07Å; R116-K128 HydrophobicContact CG-CG 3.85Å
129	Q	74.2	Confident	69.3	Low	56 Å²	56	79.2 Å²	79.2	26%	0.262	39%	0.387	S	S	.	.	S	Bend	trans	-142.1	138.6	-176.9	-65.4	175.6	7.6	0	0	110.6	S131 K132 L133	Q129-S131 PolarHBondContact O-N 2.97Å; Q129-K132 HydrophobicContact CB-CB 4.38Å; Q129-K132 HydrophobicContact CB-CG 3.99Å; Q129-K132 WeakPolarHBondContact O-CB 3.46Å; Q129-K132 PolarHBondContact O-N 2.84Å; Q129-K132 VanDerWaalsContact O-N 3.1Å; Q129-L133 PolarHBondContact O-N 3.49Å
130	K	75.4	Confident	69.4	Low	125 Å²	125	79.8 Å²	79.8	54%	0.543	38%	0.384	S	S	.	.	H	α-helix	trans	-55.9	-45.5	177.2	-166.7	-178.4	177.6	-178.9	0	112.5	Y118 K132 L133 E134	Y118-K130 HydrophobicContact CD1-CB 3.93Å; Y118-K130 HydrophobicContact CD1-CG 4.24Å; Y118-K130 VanDerWaalsContact CD2-N 3.33Å; Y118-K130 HydrophobicContact CE1-CB 3.67Å; Y118-K130 HydrophobicContact CE1-CG 4.18Å; Y118-K130 HydrophobicContact CE2-CB 4.4Å; Y118-K130 VanDerWaalsContact CE2-N 3.31Å; Y118-K130 HydrophobicContact CG-CB 4.41Å; K130-K132 PolarHBondContact O-N 3.33Å; K130-K132 VanDerWaalsContact O-N 3.14Å; K130-L133 CarbonylContact O-C 3.26Å; K130-L133 WeakPolarHBondContact O-CA 3.36Å; K130-L133 WeakPolarHBondContact O-CB 3.42Å; K130-L133 PolarHBondContact O-N 3.48Å; K130-E134 WeakPolarHBondContact CE-OE1 2.78Å; K130-E134 HydrophobicContact CG-CG 4.38Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.27Å
131	S	73.1	Confident	68.9	Low	59 Å²	59	82.5 Å²	82.5	41%	0.413	40%	0.403	S	S	.	.	H	α-helix	trans	-61.1	-26.3	178.3	60.9	0	0	0	0	114.5	Q129 E134 S135	Q129-S131 PolarHBondContact O-N 2.97Å; S131-E134 WeakPolarHBondContact CA-OE2 3.46Å; S131-S135 WeakPolarHBondContact O-CB 3.22Å; S131-S135 PolarHBondContact O-N 3.19Å; S131-S135 PolarHBondContact O-OG 3.26Å
132	K	74.1	Confident	68.3	Low	121 Å²	121	84 Å²	84	53%	0.526	41%	0.411	S	S	.	.	H	α-helix	trans	-79	-36.6	175.4	-64.5	-62.9	-177.8	-171.1	0	112	F127 Q129 K130 H136	F127-K132 HydrophobicContact CB-CB 4.45Å; F127-K132 HydrophobicContact CD1-CB 3.9Å; Q129-K132 HydrophobicContact CB-CB 4.38Å; Q129-K132 HydrophobicContact CB-CG 3.99Å; Q129-K132 WeakPolarHBondContact O-CB 3.46Å; Q129-K132 PolarHBondContact O-N 2.84Å; Q129-K132 VanDerWaalsContact O-N 3.1Å; K130-K132 PolarHBondContact O-N 3.33Å; K130-K132 VanDerWaalsContact O-N 3.14Å; K132-H136 VanDerWaalsContact O-CB 3.29Å; K132-H136 WeakPolarHBondContact O-CB 3.25Å; K132-H136 PolarHBondContact O-N 2.87Å; K132-H136 VanDerWaalsContact O-N 3.11Å
133	L	74.1	Confident	67.8	Low	19 Å²	19	88.3 Å²	88.3	10%	0.099	42%	0.424	C	S	.	.	H	α-helix	trans	-64.7	-49.8	170	170.9	64	0	0	0	110.2	C119 C120 F127 Q129 K130 S135 H136 I137	C119-L133 WeakPolarHBondContact O-CD1 3.39Å; C119-L133 WeakPolarHBondContact O-CD2 3.32Å; C120-L133 VanDerWaalsContact CA-CD1 3.5Å; C120-L133 HydrophobicContact CB-CD1 3.52Å; F127-L133 HydrophobicContact CB-CB 4.13Å; F127-L133 HydrophobicContact CD2-CB 3.91Å; F127-L133 HydrophobicContact CD2-CD1 3.68Å; F127-L133 HydrophobicContact CD2-CG 4.41Å; F127-L133 HydrophobicContact CE2-CD1 3.92Å; F127-L133 HydrophobicContact CG-CB 4.08Å; Q129-L133 PolarHBondContact O-N 3.49Å; K130-L133 CarbonylContact O-C 3.26Å; K130-L133 WeakPolarHBondContact O-CA 3.36Å; K130-L133 WeakPolarHBondContact O-CB 3.42Å; K130-L133 PolarHBondContact O-N 3.48Å; L133-S135 VanDerWaalsContact C-N 3.3Å; L133-S135 PolarHBondContact O-N 3Å; L133-H136 CarbonylContact O-C 3.55Å; L133-H136 WeakPolarHBondContact O-CA 3.42Å; L133-H136 WeakPolarHBondContact O-CB 3.1Å; L133-H136 PolarHBondContact O-N 3.36Å; L133-I137 HydrophobicContact CD1-CD1 3.73Å; L133-I137 HydrophobicContact CD1-CG1 3.8Å; L133-I137 HydrophobicContact CD2-CD1 4.23Å; L133-I137 HydrophobicContact CG-CD1 3.65Å; L133-I137 HydrophobicContact CG-CG1 4.17Å; L133-I137 WeakPolarHBondContact O-CG1 3.38Å; L133-I137 PolarHBondContact O-N 3.34Å
134	E	71.4	Confident	67.2	Low	98 Å²	98	92.6 Å²	92.6	46%	0.458	44%	0.435	S	S	.	.	H	α-helix	trans	-54.7	-45.8	176.3	-71.6	167.3	175.4	0	0	111.2	K130 S131 H136 I137 I138	K130-E134 WeakPolarHBondContact CE-OE1 2.78Å; K130-E134 HydrophobicContact CG-CG 4.38Å; K130-E134 WeakPolarHBondContact O-CG 3.47Å; K130-E134 PolarHBondContact O-N 3.27Å; S131-E134 WeakPolarHBondContact CA-OE2 3.46Å; E134-H136 PolarHBondContact O-N 2.95Å; E134-I137 PolarHBondContact O-N 3.23Å; E134-I138 WeakPolarHBondContact O-CG1 3.26Å
135	S	66.4	Low	66.8	Low	42 Å²	42	93 Å²	93	29%	0.294	43%	0.429	S	S	.	.	H	α-helix	trans	-64.7	-24.7	174.7	-61.2	0	0	0	0	114.1	S131 L133	S131-S135 WeakPolarHBondContact O-CB 3.22Å; S131-S135 PolarHBondContact O-N 3.19Å; S131-S135 PolarHBondContact O-OG 3.26Å; L133-S135 VanDerWaalsContact C-N 3.3Å; L133-S135 PolarHBondContact O-N 3Å
136	H	71.4	Confident	66.4	Low	28 Å²	28	90.5 Å²	90.5	13%	0.13	42%	0.424	C	S	.	.	H	α-helix	trans	-88.3	-33.4	-179.9	168.7	70.3	0	0	0	112.3	C120 C123 F127 K132 L133 E134 I138 W139 H140	C120-H136 VanDerWaalsContact SG-CD2 3.52Å; C123-H136 PolarHBondContact SG-NE2 3.34Å; F127-H136 HydrophobicContact CE1-CB 3.82Å; F127-H136 AromaticContact CE1-CG 3.98Å; F127-H136 HydrophobicContact CE2-CB 4.01Å; F127-H136 AromaticContact CE2-CD2 3.22Å; F127-H136 WeakPolarHBondContact CE2-CD2 3.44Å; F127-H136 AromaticContact CE2-CG 3.67Å; F127-H136 AromaticContact CE2-NE2 3.84Å; F127-H136 HydrophobicContact CZ-CB 3.42Å; F127-H136 VanDerWaalsContact CZ-CB 3.42Å; F127-H136 AromaticContact CZ-CD2 3.18Å; F127-H136 WeakPolarHBondContact CZ-CD2 3.34Å; F127-H136 AromaticContact CZ-CG 3.13Å; F127-H136 AromaticContact CZ-ND1 3.73Å; F127-H136 AromaticContact CZ-NE2 3.73Å; K132-H136 VanDerWaalsContact O-CB 3.29Å; K132-H136 WeakPolarHBondContact O-CB 3.25Å; K132-H136 PolarHBondContact O-N 2.87Å; K132-H136 VanDerWaalsContact O-N 3.11Å; L133-H136 CarbonylContact O-C 3.55Å; L133-H136 WeakPolarHBondContact O-CA 3.42Å; L133-H136 WeakPolarHBondContact O-CB 3.1Å; L133-H136 PolarHBondContact O-N 3.36Å; E134-H136 PolarHBondContact O-N 2.95Å; H136-I138 PolarHBondContact O-N 3.43Å; H136-W139 WeakPolarHBondContact O-CB 3.39Å; H136-W139 PolarHBondContact O-N 3.04Å; H136-H140 AromaticContact CE1-NE2 3.69Å; H136-H140 AromaticContact NE2-NE2 3.36Å; H136-H140 PolarHBondContact NE2-NE2 2.89Å
137	I	67.8	Low	66.3	Low	47 Å²	47	87.6 Å²	87.6	24%	0.241	41%	0.413	C	S	.	.	H	α-helix	trans	-62	-28.7	175	-68.7	167.3	0	0	0	111.1	F122 L133 E134 W139 H140 S141	F122-I137 HydrophobicContact CD2-CG2 4.35Å; F122-I137 HydrophobicContact CE2-CG2 3.97Å; L133-I137 HydrophobicContact CD1-CD1 3.73Å; L133-I137 HydrophobicContact CD1-CG1 3.8Å; L133-I137 HydrophobicContact CD2-CD1 4.23Å; L133-I137 HydrophobicContact CG-CD1 3.65Å; L133-I137 HydrophobicContact CG-CG1 4.17Å; L133-I137 WeakPolarHBondContact O-CG1 3.38Å; L133-I137 PolarHBondContact O-N 3.34Å; E134-I137 PolarHBondContact O-N 3.23Å; I137-W139 PolarHBondContact O-N 3.3Å; I137-H140 PolarHBondContact O-N 3.12Å; I137-S141 PolarHBondContact O-N 3.09Å; I137-S141 PolarHBondContact O-OG 3.17Å
138	I	66	Low	66.2	Low	65 Å²	65	92.1 Å²	92.1	33%	0.333	43%	0.433	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.8	-22.2	170.7	-61.9	169	0	0	0	112.5	E134 H136 H140	E134-I138 WeakPolarHBondContact O-CG1 3.26Å; H136-I138 PolarHBondContact O-N 3.43Å; I138-H140 VanDerWaalsContact C-N 3.34Å
139	W	55.5	Low	66.4	Low	179 Å²	179	89.2 Å²	89.2	68%	0.678	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78.5	-17.4	176	-120	74.5	0	0	0	114.1	H136 I137	H136-W139 WeakPolarHBondContact O-CB 3.39Å; H136-W139 PolarHBondContact O-N 3.04Å; I137-W139 PolarHBondContact O-N 3.3Å
140	H	65.5	Low	66.5	Low	65 Å²	65	93.9 Å²	93.9	30%	0.301	45%	0.447	S	S	.	.	T	Hydrogen-bonded Turn	trans	-98.6	-17	179.2	-62.3	-63.8	0	0	0	112.5	C120 F122 C123 H136 I137 I138	C120-H140 PolarHBondContact SG-CD2 2.76Å; C120-H140 PolarHBondContact SG-NE2 3.17Å; C120-H140 VanDerWaalsContact SG-NE2 3.42Å; F122-H140 HydrophobicContact CB-CB 3.9Å; F122-H140 VanDerWaalsContact CB-CG 3.43Å; F122-H140 HydrophobicContact CD1-CB 4.22Å; F122-H140 HydrophobicContact CD2-CB 3.88Å; F122-H140 HydrophobicContact CE2-CB 4.49Å; F122-H140 HydrophobicContact CG-CB 3.73Å; F122-H140 AromaticContact CG-CG 3.83Å; C123-H140 PolarHBondContact SG-NE2 2.86Å; H136-H140 AromaticContact CE1-NE2 3.69Å; H136-H140 AromaticContact NE2-NE2 3.36Å; H136-H140 PolarHBondContact NE2-NE2 2.89Å; I137-H140 PolarHBondContact O-N 3.12Å; I138-H140 VanDerWaalsContact C-N 3.34Å
141	S	61.2	Low	66.4	Low	56 Å²	56	92.1 Å²	92.1	39%	0.392	45%	0.447	S	S	.	.			trans	-92.6	101.4	178.6	10.8	0	0	0	0	109.3	I137 R143	I137-S141 PolarHBondContact O-N 3.09Å; I137-S141 PolarHBondContact O-OG 3.17Å; S141-R143 PolarHBondContact O-N 3.44Å
142	D	56.3	Low	66.5	Low	173 Å²	173	91.8 Å²	91.8	93%	0.925	44%	0.444	S	S	*	.	S	Bend	trans	-62.7	1.7	176.4	-90.6	-32.8	0	0	0	114.5
143	R	53.3	Low	66.5	Low	230 Å²	230	87.9 Å²	87.9	87%	0.868	44%	0.438	S	S	*	.	S	Bend	trans	-106.3	110.5	168.4	-74.8	-174.3	169.9	-166.6	-2.1	110.3	S141	S141-R143 PolarHBondContact O-N 3.44Å
144	K	57.7	Low	66.5	Low	152 Å²	152	93 Å²	93	66%	0.661	46%	0.459	S	S	*	.			trans	90.4	63.5	158.8	-77.3	175.7	155.4	-149.8	0	118.1	E146	K144-E146 HydrophobicContact CB-CG 3.59Å; K144-E146 HydrophobicContact CD-CG 4.01Å; K144-E146 WeakPolarHBondContact CD-OE1 3.49Å; K144-E146 WeakPolarHBondContact CE-OE1 3.39Å; K144-E146 HydrophobicContact CG-CG 3.64Å; K144-E146 IonicContact NZ-OE1 2.71Å; K144-E146 PolarHBondContact NZ-OE1 3.15Å; K144-E146 PolarHBondContact O-N 2.58Å; K144-E146 VanDerWaalsContact O-N 3.17Å
145	C	55.4	Low	66.6	Low	60 Å²	60	92.1 Å²	92.1	41%	0.405	46%	0.46	S	S	.	.			trans	-75	78	137.2	-69.6	0	0	0	0	110.2	Y147 V155	C145-Y147 VanDerWaalsContact C-N 3.26Å; C145-Y147 PolarHBondContact O-N 2.84Å; C145-V155 HydrophobicContact CB-CG1 3.18Å; C145-V155 WeakPolarHBondContact O-CG1 3.44Å
146	E	58.5	Low	66.9	Low	99 Å²	99	91.9 Å²	91.9	46%	0.463	45%	0.454	S	S	.	.			trans	-66.6	-18.4	-167.8	-65.8	-178.7	153.5	0	0	115.5	K144 K148	K144-E146 HydrophobicContact CB-CG 3.59Å; K144-E146 HydrophobicContact CD-CG 4.01Å; K144-E146 WeakPolarHBondContact CD-OE1 3.49Å; K144-E146 WeakPolarHBondContact CE-OE1 3.39Å; K144-E146 HydrophobicContact CG-CG 3.64Å; K144-E146 IonicContact NZ-OE1 2.71Å; K144-E146 PolarHBondContact NZ-OE1 3.15Å; K144-E146 PolarHBondContact O-N 2.58Å; K144-E146 VanDerWaalsContact O-N 3.17Å; E146-K148 PolarHBondContact O-N 3.2Å
147	Y	68	Low	66.6	Low	75 Å²	75	93.2 Å²	93.2	29%	0.294	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	75.4	-167.9	-53.9	-66.8	0	0	0	111.4	C145 F156 F158 K159 L162	C145-Y147 VanDerWaalsContact C-N 3.26Å; C145-Y147 PolarHBondContact O-N 2.84Å; Y147-F156 WeakPolarHBondContact O-CD2 3.48Å; Y147-F156 PolarHBondContact O-N 3.25Å; Y147-F158 VanDerWaalsContact CD2-C 3.49Å; Y147-K159 HydrophobicContact CD1-CB 3.85Å; Y147-K159 HydrophobicContact CD1-CG 4.05Å; Y147-K159 HydrophobicContact CD2-CB 4.3Å; Y147-K159 HydrophobicContact CE1-CB 3.64Å; Y147-K159 HydrophobicContact CE1-CD 4.09Å; Y147-K159 HydrophobicContact CE1-CG 3.91Å; Y147-K159 HydrophobicContact CE2-CB 4.09Å; Y147-K159 HydrophobicContact CG-CB 4.18Å; Y147-L162 HydrophobicContact CD1-CD2 4.48Å
148	K	72.6	Confident	66.7	Low	123 Å²	123	94.3 Å²	94.3	54%	0.535	46%	0.464	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.1	140	171.2	-172.3	176	178.9	-178.8	0	110.7	E146 V155	E146-K148 PolarHBondContact O-N 3.2Å; K148-V155 HydrophobicContact CB-CG2 4.42Å; K148-V155 HydrophobicContact CG-CG2 4.25Å
149	C	77.2	Confident	66.9	Low	1 Å²	1	97.3 Å²	97.3	1%	0.007	47%	0.474	C	S	.	.			trans	-84.7	117.3	170.3	178.9	0	0	0	0	109.9	T151 C152 G153 K154 F156 L162 H169	C149-T151 PolarHBondContact O-N 3.28Å; C149-C152 PolarHBondContact O-N 3.06Å; C149-C152 VanDerWaalsContact SG-SG 3.61Å; C149-G153 WeakPolarHBondContact O-CA 3.44Å; C149-G153 PolarHBondContact O-N 3.21Å; C149-K154 WeakPolarHBondContact CB-O 3.37Å; C149-K154 PolarHBondContact N-O 3.41Å; C149-F156 HydrophobicContact CB-CE2 4.12Å; C149-L162 HydrophobicContact CB-CD1 3.62Å; C149-H169 PolarHBondContact SG-CD2 2.77Å; C149-H169 PolarHBondContact SG-NE2 3.11Å; C149-H169 VanDerWaalsContact SG-NE2 3.4Å
150	N	74.4	Confident	67.8	Low	155 Å²	155	92.8 Å²	92.8	83%	0.829	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-23.4	-177.9	-60.8	-2.2	0	0	0	113
151	T	73.3	Confident	68.3	Low	88 Å²	88	94.3 Å²	94.3	54%	0.54	47%	0.473	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-28.2	-178.3	-40.8	0	0	0	0	114.1	C149 H169	C149-T151 PolarHBondContact O-N 3.28Å; T151-H169 HydrophobicContact CG2-CB 4.2Å
152	C	77.1	Confident	69	Low	52 Å²	52	93.1 Å²	93.1	35%	0.351	46%	0.462	S	S	.	.	T	Hydrogen-bonded Turn	trans	-139.1	8.8	-174	72.4	0	0	0	0	114.7	C149 K154 H165 H169	C149-C152 PolarHBondContact O-N 3.06Å; C149-C152 VanDerWaalsContact SG-SG 3.61Å; C152-K154 PolarHBondContact O-N 3.29Å; C152-H165 PolarHBondContact SG-NE2 3.08Å; C152-H169 PolarHBondContact SG-NE2 3.42Å; C152-H169 VanDerWaalsContact SG-NE2 3.36Å
153	G	73.6	Confident	69.9	Low	38 Å²	38	88.8 Å²	88.8	39%	0.392	44%	0.438	S	S	.	.			trans	69.6	-6.3	177.2	0	0	0	0	0	115.8	C149 V155	C149-G153 WeakPolarHBondContact O-CA 3.44Å; C149-G153 PolarHBondContact O-N 3.21Å; G153-V155 PolarHBondContact O-N 3.32Å
154	K	72.9	Confident	71	Confident	127 Å²	127	82.7 Å²	82.7	55%	0.552	42%	0.415	S	S	*	.			trans	-65.3	135.5	-177.9	-71.1	-177.3	-178.4	177.9	0	111.8	C149 C152 F156	C149-K154 WeakPolarHBondContact CB-O 3.37Å; C149-K154 PolarHBondContact N-O 3.41Å; C152-K154 PolarHBondContact O-N 3.29Å; K154-F156 HydrophobicContact CB-CE2 3.76Å; K154-F156 HydrophobicContact CB-CZ 3.85Å; K154-F156 WeakPolarHBondContact O-CD2 3.35Å; K154-F156 WeakPolarHBondContact O-CE2 3.45Å
155	V	74.9	Confident	72	Confident	79 Å²	79	76.6 Å²	76.6	48%	0.479	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.6	137.6	-176.1	179.8	0	0	0	0	110.3	C145 K148 G153	C145-V155 HydrophobicContact CB-CG1 3.18Å; C145-V155 WeakPolarHBondContact O-CG1 3.44Å; K148-V155 HydrophobicContact CB-CG2 4.42Å; K148-V155 HydrophobicContact CG-CG2 4.25Å; G153-V155 PolarHBondContact O-N 3.32Å
156	F	72.8	Confident	72.8	Confident	37 Å²	37	78 Å²	78	16%	0.162	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	141.6	-176.6	-61.7	-86.7	0	0	0	112.2	Y147 C149 K154 F158 R161 L162 H165	Y147-F156 WeakPolarHBondContact O-CD2 3.48Å; Y147-F156 PolarHBondContact O-N 3.25Å; C149-F156 HydrophobicContact CB-CE2 4.12Å; K154-F156 HydrophobicContact CB-CE2 3.76Å; K154-F156 HydrophobicContact CB-CZ 3.85Å; K154-F156 WeakPolarHBondContact O-CD2 3.35Å; K154-F156 WeakPolarHBondContact O-CE2 3.45Å; F156-F158 VanDerWaalsContact C-N 3.26Å; F156-F158 PolarHBondContact O-N 3.19Å; F156-R161 HydrophobicContact CB-CB 4.22Å; F156-R161 HydrophobicContact CD1-CB 3.97Å; F156-R161 HydrophobicContact CG-CB 4.4Å; F156-L162 HydrophobicContact CB-CB 4.11Å; F156-L162 HydrophobicContact CD2-CB 3.9Å; F156-L162 HydrophobicContact CD2-CD1 3.63Å; F156-L162 HydrophobicContact CD2-CG 4.37Å; F156-L162 HydrophobicContact CE2-CD1 3.89Å; F156-L162 HydrophobicContact CG-CB 4.14Å; F156-H165 HydrophobicContact CE1-CB 3.72Å; F156-H165 AromaticContact CE1-CG 3.9Å; F156-H165 HydrophobicContact CE2-CB 3.87Å; F156-H165 AromaticContact CE2-CD2 3.42Å; F156-H165 VanDerWaalsContact CE2-CD2 3.42Å; F156-H165 WeakPolarHBondContact CE2-CD2 3.36Å; F156-H165 AromaticContact CE2-CG 3.61Å; F156-H165 HydrophobicContact CZ-CB 3.35Å; F156-H165 AromaticContact CZ-CD2 3.37Å; F156-H165 WeakPolarHBondContact CZ-CD2 3.33Å; F156-H165 AromaticContact CZ-CG 3.08Å; F156-H165 AromaticContact CZ-ND1 3.52Å; F156-H165 AromaticContact CZ-NE2 3.93Å
157	Q	65.1	Low	73.8	Confident	56 Å²	56	76.4 Å²	76.4	26%	0.262	38%	0.378	S	S	.	.	S	Bend	trans	-65.7	-24.8	177.2	-66.4	176.6	-25.3	0	0	114.1
158	F	69.1	Low	74.1	Confident	70 Å²	70	77.9 Å²	77.9	31%	0.307	39%	0.39	S	S	.	.	S	Bend	trans	-140.5	141.5	-175.5	-57	-72.4	0	0	0	110.5	Y147 F156 S160 R161 L162	Y147-F158 VanDerWaalsContact CD2-C 3.49Å; F156-F158 VanDerWaalsContact C-N 3.26Å; F156-F158 PolarHBondContact O-N 3.19Å; F158-S160 PolarHBondContact O-N 2.99Å; F158-S160 VanDerWaalsContact O-N 3.17Å; F158-R161 HydrophobicContact CB-CG 4.38Å; F158-R161 HydrophobicContact CD2-CG 4.39Å; F158-R161 WeakPolarHBondContact O-CB 3.43Å; F158-R161 PolarHBondContact O-N 3.14Å; F158-L162 PolarHBondContact O-N 3.45Å; F158-L162 VanDerWaalsContact O-N 3.11Å
159	K	71.4	Confident	74.1	Confident	129 Å²	129	75.4 Å²	75.4	56%	0.561	38%	0.38	S	S	*	.	H	α-helix	trans	-51.8	-38.6	173.1	-165.9	174.4	-179.2	173.4	0	112.1	Y147 R161 L162 I163	Y147-K159 HydrophobicContact CD1-CB 3.85Å; Y147-K159 HydrophobicContact CD1-CG 4.05Å; Y147-K159 HydrophobicContact CD2-CB 4.3Å; Y147-K159 HydrophobicContact CE1-CB 3.64Å; Y147-K159 HydrophobicContact CE1-CD 4.09Å; Y147-K159 HydrophobicContact CE1-CG 3.91Å; Y147-K159 HydrophobicContact CE2-CB 4.09Å; Y147-K159 HydrophobicContact CG-CB 4.18Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.27Å; K159-L162 PolarHBondContact O-N 3.46Å; K159-I163 HydrophobicContact CG-CD1 3.95Å; K159-I163 HydrophobicContact CG-CG1 4.42Å; K159-I163 WeakPolarHBondContact O-CB 3.43Å; K159-I163 VanDerWaalsContact O-CG1 3.27Å; K159-I163 WeakPolarHBondContact O-CG1 3.38Å; K159-I163 PolarHBondContact O-N 3.3Å
160	S	73.9	Confident	73.9	Confident	83 Å²	83	78.5 Å²	78.5	58%	0.58	40%	0.399	S	S	*	.	H	α-helix	trans	-62.5	-34	176.9	63.2	0	0	0	0	113.7	F158 R164	F158-S160 PolarHBondContact O-N 2.99Å; F158-S160 VanDerWaalsContact O-N 3.17Å; S160-R164 WeakPolarHBondContact O-CB 3.36Å; S160-R164 PolarHBondContact O-N 3.45Å; S160-R164 VanDerWaalsContact O-N 3.11Å
161	R	74.7	Confident	73.8	Confident	98 Å²	98	73.3 Å²	73.3	37%	0.37	38%	0.382	S	S	.	.	H	α-helix	trans	-76.3	-38.4	175.7	-69.8	-172.3	-179	168	6.8	111.6	F156 F158 K159 R164 H165	F156-R161 HydrophobicContact CB-CB 4.22Å; F156-R161 HydrophobicContact CD1-CB 3.97Å; F156-R161 HydrophobicContact CG-CB 4.4Å; F158-R161 HydrophobicContact CB-CG 4.38Å; F158-R161 HydrophobicContact CD2-CG 4.39Å; F158-R161 WeakPolarHBondContact O-CB 3.43Å; F158-R161 PolarHBondContact O-N 3.14Å; K159-R161 VanDerWaalsContact C-N 3.31Å; K159-R161 PolarHBondContact O-N 3.27Å; R161-R164 PolarHBondContact O-N 3.27Å; R161-H165 WeakPolarHBondContact O-CB 3.46Å; R161-H165 PolarHBondContact O-N 3.08Å
162	L	76.4	Confident	73.9	Confident	30 Å²	30	72.7 Å²	72.7	16%	0.157	38%	0.378	C	S	.	.	H	α-helix	trans	-61.7	-50.5	171.8	173.5	63	0	0	0	110.8	Y147 C149 F156 F158 K159 R164 H165 F166	Y147-L162 HydrophobicContact CD1-CD2 4.48Å; C149-L162 HydrophobicContact CB-CD1 3.62Å; F156-L162 HydrophobicContact CB-CB 4.11Å; F156-L162 HydrophobicContact CD2-CB 3.9Å; F156-L162 HydrophobicContact CD2-CD1 3.63Å; F156-L162 HydrophobicContact CD2-CG 4.37Å; F156-L162 HydrophobicContact CE2-CD1 3.89Å; F156-L162 HydrophobicContact CG-CB 4.14Å; F158-L162 PolarHBondContact O-N 3.45Å; F158-L162 VanDerWaalsContact O-N 3.11Å; K159-L162 PolarHBondContact O-N 3.46Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.36Å; L162-H165 CarbonylContact O-C 3.59Å; L162-H165 WeakPolarHBondContact O-CA 3.21Å; L162-H165 WeakPolarHBondContact O-CB 3.34Å; L162-H165 PolarHBondContact O-N 3.4Å; L162-F166 WeakPolarHBondContact O-CB 3.27Å; L162-F166 PolarHBondContact O-N 3.39Å
163	I	75.3	Confident	73.9	Confident	82 Å²	82	76.5 Å²	76.5	42%	0.421	39%	0.385	S	S	.	.	H	α-helix	trans	-56.8	-43.4	177.5	-69.3	165.9	0	0	0	110.8	K159 H165 F166 R167	K159-I163 HydrophobicContact CG-CD1 3.95Å; K159-I163 HydrophobicContact CG-CG1 4.42Å; K159-I163 WeakPolarHBondContact O-CB 3.43Å; K159-I163 VanDerWaalsContact O-CG1 3.27Å; K159-I163 WeakPolarHBondContact O-CG1 3.38Å; K159-I163 PolarHBondContact O-N 3.3Å; I163-H165 VanDerWaalsContact C-N 3.34Å; I163-H165 PolarHBondContact O-N 3.48Å; I163-F166 PolarHBondContact O-N 3.21Å; I163-R167 WeakPolarHBondContact O-CG 3.46Å; I163-R167 PolarHBondContact O-N 2.88Å
164	R	76.5	Confident	74	Confident	103 Å²	103	77.5 Å²	77.5	39%	0.389	38%	0.384	S	S	.	.	H	α-helix	trans	-63.8	-38.8	175.8	-178.1	-178.9	68	174.3	-3.6	112.4	S160 R161 L162 R167 Q186	S160-R164 WeakPolarHBondContact O-CB 3.36Å; S160-R164 PolarHBondContact O-N 3.45Å; S160-R164 VanDerWaalsContact O-N 3.11Å; R161-R164 PolarHBondContact O-N 3.27Å; L162-R164 VanDerWaalsContact C-N 3.28Å; L162-R164 PolarHBondContact O-N 3.36Å; R164-R167 WeakPolarHBondContact O-CB 3.23Å; R164-Q186 HydrophobicContact CG-CG 4.01Å
165	H	77.9	Confident	74.4	Confident	23 Å²	23	74.3 Å²	74.3	11%	0.106	37%	0.37	C	S	.	.	H	α-helix	trans	-70	-39.2	176.3	172.1	76.1	0	0	0	111.8	C152 F156 R161 L162 I163 R167 I168 H169	C152-H165 PolarHBondContact SG-NE2 3.08Å; F156-H165 HydrophobicContact CE1-CB 3.72Å; F156-H165 AromaticContact CE1-CG 3.9Å; F156-H165 HydrophobicContact CE2-CB 3.87Å; F156-H165 AromaticContact CE2-CD2 3.42Å; F156-H165 VanDerWaalsContact CE2-CD2 3.42Å; F156-H165 WeakPolarHBondContact CE2-CD2 3.36Å; F156-H165 AromaticContact CE2-CG 3.61Å; F156-H165 HydrophobicContact CZ-CB 3.35Å; F156-H165 AromaticContact CZ-CD2 3.37Å; F156-H165 WeakPolarHBondContact CZ-CD2 3.33Å; F156-H165 AromaticContact CZ-CG 3.08Å; F156-H165 AromaticContact CZ-ND1 3.52Å; F156-H165 AromaticContact CZ-NE2 3.93Å; R161-H165 WeakPolarHBondContact O-CB 3.46Å; R161-H165 PolarHBondContact O-N 3.08Å; L162-H165 CarbonylContact O-C 3.59Å; L162-H165 WeakPolarHBondContact O-CA 3.21Å; L162-H165 WeakPolarHBondContact O-CB 3.34Å; L162-H165 PolarHBondContact O-N 3.4Å; I163-H165 VanDerWaalsContact C-N 3.34Å; I163-H165 PolarHBondContact O-N 3.48Å; H165-R167 PolarHBondContact O-N 3.24Å; H165-I168 WeakPolarHBondContact O-CB 3.43Å; H165-I168 VanDerWaalsContact O-CG1 3.29Å; H165-I168 WeakPolarHBondContact O-CG1 3.42Å; H165-I168 PolarHBondContact O-N 2.82Å; H165-H169 AromaticContact CD2-NE2 3.85Å; H165-H169 AromaticContact CE1-NE2 3.8Å; H165-H169 AromaticContact NE2-CD2 3.87Å; H165-H169 AromaticContact NE2-NE2 3.09Å; H165-H169 PolarHBondContact NE2-NE2 3.49Å
166	F	73.4	Confident	74.3	Confident	89 Å²	89	73.7 Å²	73.7	39%	0.39	37%	0.369	S	S	.	.	H	α-helix	trans	-60.6	-27.9	179.4	-162.4	-110.9	0	0	0	112.4	L162 I163 I168 H169 T170	L162-F166 WeakPolarHBondContact O-CB 3.27Å; L162-F166 PolarHBondContact O-N 3.39Å; I163-F166 PolarHBondContact O-N 3.21Å; F166-I168 PolarHBondContact O-N 2.99Å; F166-I168 VanDerWaalsContact O-N 3.12Å; F166-H169 PolarHBondContact O-N 2.98Å; F166-T170 HydrophobicContact CD1-CG2 3.55Å; F166-T170 HydrophobicContact CE1-CG2 3.26Å; F166-T170 HydrophobicContact CG-CG2 4.4Å; F166-T170 HydrophobicContact CZ-CG2 3.92Å; F166-T170 PolarHBondContact O-N 3.06Å; F166-T170 PolarHBondContact O-OG1 2.83Å
167	R	79.9	Confident	74.5	Confident	67 Å²	67	72 Å²	72	25%	0.253	36%	0.361	S	S	.	.	H	α-helix	trans	-59.3	-18.3	169.9	-65.9	172.8	-168	175.4	0.6	114.6	I163 R164 H165 T170 G171 V172 N185	I163-R167 WeakPolarHBondContact O-CG 3.46Å; I163-R167 PolarHBondContact O-N 2.88Å; R164-R167 WeakPolarHBondContact O-CB 3.23Å; H165-R167 PolarHBondContact O-N 3.24Å; R167-T170 WeakPolarHBondContact CA-OG1 3.46Å; R167-G171 PolarHBondContact O-N 2.94Å; R167-V172 HydrophobicContact CG-CB 4.49Å; R167-N185 HydrophobicContact CB-CB 4.3Å; R167-N185 PolarHBondContact NH1-O 3Å
168	I	73.2	Confident	75	Confident	105 Å²	105	76.6 Å²	76.6	54%	0.538	38%	0.383	S	S	.	.	H	α-helix	trans	-73.3	-40.5	173.8	-59	173.4	0	0	0	109.6	H165 F166	H165-I168 WeakPolarHBondContact O-CB 3.43Å; H165-I168 VanDerWaalsContact O-CG1 3.29Å; H165-I168 WeakPolarHBondContact O-CG1 3.42Å; H165-I168 PolarHBondContact O-N 2.82Å; F166-I168 PolarHBondContact O-N 2.99Å; F166-I168 VanDerWaalsContact O-N 3.12Å
169	H	73.4	Confident	75.4	Confident	71 Å²	71	77.5 Å²	77.5	33%	0.329	39%	0.39	S	S	.	.	H	α-helix	trans	-77.9	-44.1	-179.9	-58.1	-53.3	0	0	0	111.9	C149 T151 C152 H165 F166 G171	C149-H169 PolarHBondContact SG-CD2 2.77Å; C149-H169 PolarHBondContact SG-NE2 3.11Å; C149-H169 VanDerWaalsContact SG-NE2 3.4Å; T151-H169 HydrophobicContact CG2-CB 4.2Å; C152-H169 PolarHBondContact SG-NE2 3.42Å; C152-H169 VanDerWaalsContact SG-NE2 3.36Å; H165-H169 AromaticContact CD2-NE2 3.85Å; H165-H169 AromaticContact CE1-NE2 3.8Å; H165-H169 AromaticContact NE2-CD2 3.87Å; H165-H169 AromaticContact NE2-NE2 3.09Å; H165-H169 PolarHBondContact NE2-NE2 3.49Å; F166-H169 PolarHBondContact O-N 2.98Å; H169-G171 VanDerWaalsContact C-N 3.25Å; H169-G171 PolarHBondContact O-N 3.09Å
170	T	72.8	Confident	75.6	Confident	67 Å²	67	73.8 Å²	73.8	41%	0.411	38%	0.38	S	S	.	.	S	Bend	trans	-79.2	-6.6	179.9	61.1	0	0	0	0	113.8	F166 R167 V172	F166-T170 HydrophobicContact CD1-CG2 3.55Å; F166-T170 HydrophobicContact CE1-CG2 3.26Å; F166-T170 HydrophobicContact CG-CG2 4.4Å; F166-T170 HydrophobicContact CZ-CG2 3.92Å; F166-T170 PolarHBondContact O-N 3.06Å; F166-T170 PolarHBondContact O-OG1 2.83Å; R167-T170 WeakPolarHBondContact CA-OG1 3.46Å; T170-V172 PolarHBondContact O-N 3.39Å; T170-V172 WeakPolarHBondContact OG1-CG2 3.49Å
171	G	72.3	Confident	75.6	Confident	45 Å²	45	72.1 Å²	72.1	46%	0.464	38%	0.375	S	S	.	.			trans	65.8	0.9	-176.7	0	0	0	0	0	115	R167 H169 R173	R167-G171 PolarHBondContact O-N 2.94Å; H169-G171 VanDerWaalsContact C-N 3.25Å; H169-G171 PolarHBondContact O-N 3.09Å; G171-R173 WeakPolarHBondContact O-CG 3.4Å; G171-R173 PolarHBondContact O-N 3.41Å
172	V	75.4	Confident	75.5	Confident	75 Å²	75	73.5 Å²	73.5	46%	0.455	38%	0.384	S	S	.	.			trans	-62.4	120.5	-176.4	175.6	0	0	0	0	110.4	R167 T170 P174	R167-V172 HydrophobicContact CG-CB 4.49Å; T170-V172 PolarHBondContact O-N 3.39Å; T170-V172 WeakPolarHBondContact OG1-CG2 3.49Å; V172-P174 HydrophobicContact CG1-CG 4Å; V172-P174 WeakPolarHBondContact O-CD 3.49Å
173	R	77.1	Confident	75.6	Confident	133 Å²	133	79 Å²	79	50%	0.502	40%	0.402	S	S	.	.			trans	-121.1	86.4	179.6	-71.6	165.5	176	-121.1	8.5	110.1	G171 F175 R183 F184	G171-R173 WeakPolarHBondContact O-CG 3.4Å; G171-R173 PolarHBondContact O-N 3.41Å; R173-F175 VanDerWaalsContact C-N 3.28Å; R173-F175 PolarHBondContact O-N 3.12Å; R173-R183 HydrophobicContact CB-CB 3.52Å; R173-R183 WeakPolarHBondContact CD-O 3.04Å; R173-R183 HydrophobicContact CG-CB 4.42Å; R173-R183 PolarHBondContact NH1-O 3.11Å; R173-R183 PolarHBondContact O-NE 3.28Å; R173-R183 PolarHBondContact O-NH2 3.23Å; R173-F184 CarbonylContact C-O 3.37Å; R173-F184 VanDerWaalsContact C-O 3.26Å; R173-F184 WeakPolarHBondContact CA-O 3.38Å
174	P	76.4	Confident	75.7	Confident	59 Å²	59	76.3 Å²	76.3	38%	0.383	39%	0.388	S	S	.	.			trans	-69.4	-21.8	-172.1	-19.4	32.1	0	0	0	114.4	V172	V172-P174 HydrophobicContact CG1-CG 4Å; V172-P174 WeakPolarHBondContact O-CD 3.49Å
175	F	80	Confident	75.6	Confident	59 Å²	59	73.1 Å²	73.1	26%	0.259	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	114.6	-170.5	-56.8	-76.9	0	0	0	110	R173 R183 F184 K187 L190	R173-F175 VanDerWaalsContact C-N 3.28Å; R173-F175 PolarHBondContact O-N 3.12Å; F175-R183 CarbonylContact O-C 3.57Å; F175-R183 WeakPolarHBondContact O-CA 3.49Å; F175-F184 HydrophobicContact CB-CB 4.38Å; F175-F184 PolarHBondContact N-O 3.11Å; F175-F184 VanDerWaalsContact N-O 3.07Å; F175-F184 PolarHBondContact O-N 3.03Å; F175-K187 HydrophobicContact CD1-CB 3.95Å; F175-K187 HydrophobicContact CD1-CG 4.36Å; F175-K187 HydrophobicContact CE1-CB 3.75Å; F175-K187 HydrophobicContact CE1-CG 4.34Å; F175-K187 HydrophobicContact CE2-CB 4.42Å; F175-K187 HydrophobicContact CG-CB 4.37Å; F175-K187 HydrophobicContact CZ-CB 3.99Å; F175-L190 HydrophobicContact CB-CB 4.23Å; F175-L190 HydrophobicContact CB-CD2 3.85Å
176	C	72.6	Confident	75.5	Confident	67 Å²	67	74.4 Å²	74.4	45%	0.453	38%	0.384	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101	143.3	179.5	-169.3	0	0	0	0	111.4	L190	C176-L190 WeakPolarHBondContact O-CD2 3.36Å
177	C	77.5	Confident	75.6	Confident	0 Å²	0	76.5 Å²	76.5	0%	0	39%	0.393	C	S	.	.			trans	-85.5	118.4	166.2	-173.7	0	0	0	0	109.6	I179 C180 G181 K182 F184 L190	C177-I179 PolarHBondContact O-N 2.87Å; C177-C180 VanDerWaalsContact SG-SG 3.69Å; C177-G181 VanDerWaalsContact O-CA 3.24Å; C177-G181 WeakPolarHBondContact O-CA 3.06Å; C177-G181 PolarHBondContact O-N 2.79Å; C177-K182 PolarHBondContact N-O 3.3Å; C177-F184 HydrophobicContact CB-CE2 4.27Å; C177-L190 HydrophobicContact CB-CD1 3.66Å
178	H	75.7	Confident	75.5	Confident	153 Å²	153	76.7 Å²	76.7	71%	0.708	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.8	-23.7	179.4	65.5	-81	0	0	0	113.4
179	I	77.8	Confident	75.8	Confident	90 Å²	90	75.1 Å²	75.1	46%	0.462	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-80.6	-38.3	-177.6	-56.4	175.8	0	0	0	112.1	C177 H197	C177-I179 PolarHBondContact O-N 2.87Å; I179-H197 HydrophobicContact CD1-CB 3.48Å; I179-H197 VanDerWaalsContact CD1-CB 3.48Å; I179-H197 HydrophobicContact CG2-CB 4.21Å
180	C	74.5	Confident	76.1	Confident	51 Å²	51	72.4 Å²	72.4	35%	0.345	39%	0.385	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.7	8.5	-172.3	71.9	0	0	0	0	114.8	C177 K182 H193 H197	C177-C180 VanDerWaalsContact SG-SG 3.69Å; C180-K182 PolarHBondContact O-N 3.17Å; C180-H193 PolarHBondContact SG-NE2 3.4Å; C180-H197 PolarHBondContact SG-NE2 2.67Å
181	G	74.8	Confident	76.5	Confident	47 Å²	47	73.8 Å²	73.8	49%	0.485	39%	0.387	S	S	.	.			trans	67.1	-2.5	178.9	0	0	0	0	0	115.8	C177 R183	C177-G181 VanDerWaalsContact O-CA 3.24Å; C177-G181 WeakPolarHBondContact O-CA 3.06Å; C177-G181 PolarHBondContact O-N 2.79Å; G181-R183 PolarHBondContact O-N 3.32Å
182	K	73.3	Confident	76.8	Confident	127 Å²	127	73.4 Å²	73.4	55%	0.552	38%	0.375	S	S	*	.			trans	-66.3	133.3	-176.8	-72.6	-176	-179.1	177.9	0	111.6	C177 C180 F184	C177-K182 PolarHBondContact N-O 3.3Å; C180-K182 PolarHBondContact O-N 3.17Å; K182-F184 HydrophobicContact CB-CE2 3.86Å; K182-F184 HydrophobicContact CB-CZ 3.92Å; K182-F184 WeakPolarHBondContact O-CD2 3.49Å; K182-F184 VanDerWaalsContact O-CE2 3.24Å; K182-F184 WeakPolarHBondContact O-CE2 3.25Å
183	R	76.8	Confident	77.1	Confident	145 Å²	145	70.9 Å²	70.9	55%	0.547	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	140.5	-178.5	-53.9	-174.8	69.7	153.2	4.5	112.6	R173 F175 G181	R173-R183 HydrophobicContact CB-CB 3.52Å; R173-R183 WeakPolarHBondContact CD-O 3.04Å; R173-R183 HydrophobicContact CG-CB 4.42Å; R173-R183 PolarHBondContact NH1-O 3.11Å; R173-R183 PolarHBondContact O-NE 3.28Å; R173-R183 PolarHBondContact O-NH2 3.23Å; F175-R183 CarbonylContact O-C 3.57Å; F175-R183 WeakPolarHBondContact O-CA 3.49Å; G181-R183 PolarHBondContact O-N 3.32Å
184	F	77.9	Confident	77.1	Confident	27 Å²	27	66.4 Å²	66.4	12%	0.118	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.4	149.8	-177	-57.6	-85.6	0	0	0	111.5	R173 F175 C177 K182 I189 L190 H193	R173-F184 CarbonylContact C-O 3.37Å; R173-F184 VanDerWaalsContact C-O 3.26Å; R173-F184 WeakPolarHBondContact CA-O 3.38Å; F175-F184 HydrophobicContact CB-CB 4.38Å; F175-F184 PolarHBondContact N-O 3.11Å; F175-F184 VanDerWaalsContact N-O 3.07Å; F175-F184 PolarHBondContact O-N 3.03Å; C177-F184 HydrophobicContact CB-CE2 4.27Å; K182-F184 HydrophobicContact CB-CE2 3.86Å; K182-F184 HydrophobicContact CB-CZ 3.92Å; K182-F184 WeakPolarHBondContact O-CD2 3.49Å; K182-F184 VanDerWaalsContact O-CE2 3.24Å; K182-F184 WeakPolarHBondContact O-CE2 3.25Å; F184-I189 HydrophobicContact CD1-CB 4.28Å; F184-I189 HydrophobicContact CD1-CG2 3.49Å; F184-I189 VanDerWaalsContact CD1-CG2 3.49Å; F184-I189 HydrophobicContact CE1-CG2 4.06Å; F184-I189 HydrophobicContact CG-CG2 4.33Å; F184-L190 HydrophobicContact CB-CB 4.27Å; F184-L190 HydrophobicContact CD2-CB 3.88Å; F184-L190 HydrophobicContact CD2-CD1 3.67Å; F184-L190 HydrophobicContact CD2-CG 4.36Å; F184-L190 HydrophobicContact CE2-CD1 3.81Å; F184-L190 HydrophobicContact CG-CB 4.21Å; F184-H193 HydrophobicContact CE1-CB 3.94Å; F184-H193 HydrophobicContact CE2-CB 4.01Å; F184-H193 AromaticContact CE2-CD2 3.47Å; F184-H193 VanDerWaalsContact CE2-CD2 3.47Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.39Å; F184-H193 AromaticContact CE2-CG 3.69Å; F184-H193 HydrophobicContact CZ-CB 3.51Å; F184-H193 AromaticContact CZ-CD2 3.4Å; F184-H193 VanDerWaalsContact CZ-CD2 3.4Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.22Å; F184-H193 AromaticContact CZ-CE1 3.99Å; F184-H193 AromaticContact CZ-CG 3.16Å; F184-H193 AromaticContact CZ-ND1 3.56Å; F184-H193 AromaticContact CZ-NE2 3.91Å
185	N	74	Confident	77.5	Confident	35 Å²	35	66.8 Å²	66.8	19%	0.187	34%	0.337	C	S	.	.	S	Bend	trans	-83.5	-14.2	179.6	62.3	11.7	0	0	0	113.5	R167 I189	R167-N185 HydrophobicContact CB-CB 4.3Å; R167-N185 PolarHBondContact NH1-O 3Å; N185-I189 WeakPolarHBondContact OD1-CD1 3.45Å
186	Q	76.9	Confident	77.4	Confident	50 Å²	50	69 Å²	69	23%	0.234	35%	0.351	C	S	.	.	S	Bend	trans	-138.8	141.3	-179.7	-64.8	-179.7	47.4	0	0	111.6	R164 S188 I189 L190	R164-Q186 HydrophobicContact CG-CG 4.01Å; Q186-S188 VanDerWaalsContact C-N 3.32Å; Q186-S188 PolarHBondContact O-N 3.42Å; Q186-I189 HydrophobicContact CB-CD1 4.05Å; Q186-I189 HydrophobicContact CB-CG1 4.09Å; Q186-I189 HydrophobicContact CG-CD1 4.42Å; Q186-I189 PolarHBondContact O-N 3.44Å; Q186-L190 PolarHBondContact O-N 3.2Å
187	K	76.1	Confident	77.5	Confident	133 Å²	133	69.2 Å²	69.2	58%	0.578	35%	0.345	S	S	*	.	H	α-helix	trans	-60.3	-38.7	176.7	-169.8	176.5	-179	177.1	0	112.5	F175 I189 L190 Q191	F175-K187 HydrophobicContact CD1-CB 3.95Å; F175-K187 HydrophobicContact CD1-CG 4.36Å; F175-K187 HydrophobicContact CE1-CB 3.75Å; F175-K187 HydrophobicContact CE1-CG 4.34Å; F175-K187 HydrophobicContact CE2-CB 4.42Å; F175-K187 HydrophobicContact CG-CB 4.37Å; F175-K187 HydrophobicContact CZ-CB 3.99Å; K187-I189 VanDerWaalsContact C-N 3.29Å; K187-I189 PolarHBondContact O-N 2.99Å; K187-L190 PolarHBondContact O-N 2.86Å; K187-Q191 HydrophobicContact CG-CG 4.4Å; K187-Q191 VanDerWaalsContact O-CG 3.23Å; K187-Q191 WeakPolarHBondContact O-CG 3.32Å; K187-Q191 PolarHBondContact O-N 2.83Å
188	S	77.9	Confident	77.5	Confident	71 Å²	71	73 Å²	73	50%	0.497	37%	0.368	S	S	.	.	H	α-helix	trans	-60.1	-37.3	178.1	50.3	0	0	0	0	112.9	Q186 Q191 V192	Q186-S188 VanDerWaalsContact C-N 3.32Å; Q186-S188 PolarHBondContact O-N 3.42Å; S188-Q191 PolarHBondContact O-N 3.25Å; S188-V192 WeakPolarHBondContact O-CG2 3.33Å; S188-V192 PolarHBondContact O-N 3.23Å; S188-V192 VanDerWaalsContact O-N 3.12Å
189	I	78.1	Confident	77.5	Confident	73 Å²	73	68.1 Å²	68.1	37%	0.374	36%	0.359	S	S	.	.	H	α-helix	trans	-72.6	-41	178.6	-57.3	175.3	0	0	0	110.2	F184 N185 Q186 K187 Q191 V192 H193	F184-I189 HydrophobicContact CD1-CB 4.28Å; F184-I189 HydrophobicContact CD1-CG2 3.49Å; F184-I189 VanDerWaalsContact CD1-CG2 3.49Å; F184-I189 HydrophobicContact CE1-CG2 4.06Å; F184-I189 HydrophobicContact CG-CG2 4.33Å; N185-I189 WeakPolarHBondContact OD1-CD1 3.45Å; Q186-I189 HydrophobicContact CB-CD1 4.05Å; Q186-I189 HydrophobicContact CB-CG1 4.09Å; Q186-I189 HydrophobicContact CG-CD1 4.42Å; Q186-I189 PolarHBondContact O-N 3.44Å; K187-I189 VanDerWaalsContact C-N 3.29Å; K187-I189 PolarHBondContact O-N 2.99Å; I189-Q191 VanDerWaalsContact C-N 3.33Å; I189-Q191 PolarHBondContact O-N 3.4Å; I189-V192 PolarHBondContact O-N 3.31Å; I189-H193 WeakPolarHBondContact O-CB 3.46Å; I189-H193 PolarHBondContact O-N 3.31Å
190	L	80.5	Confident	77.5	Confident	14 Å²	14	68.9 Å²	68.9	7%	0.073	36%	0.361	C	S	.	.	H	α-helix	trans	-58.2	-45.5	172.5	171.6	62.4	0	0	0	111.2	F175 C176 C177 F184 Q186 K187 V192 H193 Q194	F175-L190 HydrophobicContact CB-CB 4.23Å; F175-L190 HydrophobicContact CB-CD2 3.85Å; C176-L190 WeakPolarHBondContact O-CD2 3.36Å; C177-L190 HydrophobicContact CB-CD1 3.66Å; F184-L190 HydrophobicContact CB-CB 4.27Å; F184-L190 HydrophobicContact CD2-CB 3.88Å; F184-L190 HydrophobicContact CD2-CD1 3.67Å; F184-L190 HydrophobicContact CD2-CG 4.36Å; F184-L190 HydrophobicContact CE2-CD1 3.81Å; F184-L190 HydrophobicContact CG-CB 4.21Å; Q186-L190 PolarHBondContact O-N 3.2Å; K187-L190 PolarHBondContact O-N 2.86Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 3.01Å; L190-H193 CarbonylContact O-C 3.5Å; L190-H193 WeakPolarHBondContact O-CA 3.24Å; L190-H193 WeakPolarHBondContact O-CB 3.47Å; L190-H193 PolarHBondContact O-N 3.24Å; L190-H193 VanDerWaalsContact O-N 3.09Å; L190-Q194 HydrophobicContact CD1-CG 4.05Å; L190-Q194 HydrophobicContact CG-CG 4.39Å; L190-Q194 WeakPolarHBondContact O-CG 3.25Å; L190-Q194 PolarHBondContact O-N 3.41Å
191	Q	79.8	Confident	77.9	Confident	95 Å²	95	73.3 Å²	73.3	44%	0.444	37%	0.37	S	S	.	.	H	α-helix	trans	-61.5	-41.8	179.3	-70.3	-74.5	-50.8	0	0	112.4	K187 S188 I189 H193 Q194	K187-Q191 HydrophobicContact CG-CG 4.4Å; K187-Q191 VanDerWaalsContact O-CG 3.23Å; K187-Q191 WeakPolarHBondContact O-CG 3.32Å; K187-Q191 PolarHBondContact O-N 2.83Å; S188-Q191 PolarHBondContact O-N 3.25Å; I189-Q191 VanDerWaalsContact C-N 3.33Å; I189-Q191 PolarHBondContact O-N 3.4Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; Q191-Q194 PolarHBondContact O-N 2.92Å
192	V	80.1	Confident	78.2	Confident	38 Å²	38	74.2 Å²	74.2	23%	0.23	37%	0.368	C	S	.	.	H	α-helix	trans	-67.3	-36.3	173.8	171.7	0	0	0	0	111.5	S188 I189 L190 R195 Q214	S188-V192 WeakPolarHBondContact O-CG2 3.33Å; S188-V192 PolarHBondContact O-N 3.23Å; S188-V192 VanDerWaalsContact O-N 3.12Å; I189-V192 PolarHBondContact O-N 3.31Å; L190-V192 VanDerWaalsContact C-N 3.35Å; L190-V192 PolarHBondContact O-N 3.01Å; V192-R195 WeakPolarHBondContact O-CB 3.33Å; V192-R195 PolarHBondContact O-N 3.03Å; V192-Q214 VanDerWaalsContact CG1-CD 3.45Å; V192-Q214 HydrophobicContact CG1-CG 3.48Å; V192-Q214 VanDerWaalsContact CG1-CG 3.48Å
193	H	80.8	Confident	78.8	Confident	21 Å²	21	71 Å²	71	10%	0.097	35%	0.354	C	S	.	.	H	α-helix	trans	-66.3	-38.7	175.8	171.9	73.9	0	0	0	112.5	C180 F184 I189 L190 Q191 R195 I196 H197	C180-H193 PolarHBondContact SG-NE2 3.4Å; F184-H193 HydrophobicContact CE1-CB 3.94Å; F184-H193 HydrophobicContact CE2-CB 4.01Å; F184-H193 AromaticContact CE2-CD2 3.47Å; F184-H193 VanDerWaalsContact CE2-CD2 3.47Å; F184-H193 WeakPolarHBondContact CE2-CD2 3.39Å; F184-H193 AromaticContact CE2-CG 3.69Å; F184-H193 HydrophobicContact CZ-CB 3.51Å; F184-H193 AromaticContact CZ-CD2 3.4Å; F184-H193 VanDerWaalsContact CZ-CD2 3.4Å; F184-H193 WeakPolarHBondContact CZ-CD2 3.22Å; F184-H193 AromaticContact CZ-CE1 3.99Å; F184-H193 AromaticContact CZ-CG 3.16Å; F184-H193 AromaticContact CZ-ND1 3.56Å; F184-H193 AromaticContact CZ-NE2 3.91Å; I189-H193 WeakPolarHBondContact O-CB 3.46Å; I189-H193 PolarHBondContact O-N 3.31Å; L190-H193 CarbonylContact O-C 3.5Å; L190-H193 WeakPolarHBondContact O-CA 3.24Å; L190-H193 WeakPolarHBondContact O-CB 3.47Å; L190-H193 PolarHBondContact O-N 3.24Å; L190-H193 VanDerWaalsContact O-N 3.09Å; Q191-H193 VanDerWaalsContact C-N 3.33Å; H193-R195 PolarHBondContact O-N 3.38Å; H193-I196 VanDerWaalsContact O-CB 3.25Å; H193-I196 WeakPolarHBondContact O-CB 3.41Å; H193-I196 WeakPolarHBondContact O-CG1 3.48Å; H193-I196 PolarHBondContact O-N 3.2Å; H193-H197 AromaticContact CD2-NE2 3.98Å; H193-H197 AromaticContact CE1-NE2 3.85Å; H193-H197 AromaticContact NE2-CD2 4Å; H193-H197 AromaticContact NE2-NE2 3.21Å; H193-H197 PolarHBondContact NE2-NE2 3.17Å
194	Q	78.5	Confident	78.9	Confident	40 Å²	40	67.2 Å²	67.2	19%	0.187	35%	0.35	C	S	.	.	H	α-helix	trans	-59.6	-28.6	178.6	-75.3	174.7	-57.1	0	0	112.6	L190 Q191 I196 H197 T198	L190-Q194 HydrophobicContact CD1-CG 4.05Å; L190-Q194 HydrophobicContact CG-CG 4.39Å; L190-Q194 WeakPolarHBondContact O-CG 3.25Å; L190-Q194 PolarHBondContact O-N 3.41Å; Q191-Q194 PolarHBondContact O-N 2.92Å; Q194-I196 PolarHBondContact O-N 2.77Å; Q194-I196 VanDerWaalsContact O-N 3.12Å; Q194-H197 PolarHBondContact O-N 3.44Å; Q194-T198 PolarHBondContact O-N 3.1Å; Q194-T198 VanDerWaalsContact O-N 3.13Å
195	R	83.9	Confident	79.3	Confident	66 Å²	66	66.1 Å²	66.1	25%	0.249	35%	0.345	C	S	.	.	H	α-helix	trans	-62.2	-16.7	173.3	-61.2	179.7	-175.3	164.4	1.5	114.6	V192 H193 H197 T198 G199 E200 N213	V192-R195 WeakPolarHBondContact O-CB 3.33Å; V192-R195 PolarHBondContact O-N 3.03Å; H193-R195 PolarHBondContact O-N 3.38Å; R195-H197 VanDerWaalsContact C-N 3.35Å; R195-T198 WeakPolarHBondContact CA-OG1 3.29Å; R195-G199 CarbonylContact O-C 3.51Å; R195-G199 WeakPolarHBondContact O-CA 3.17Å; R195-G199 PolarHBondContact O-N 3.02Å; R195-G199 VanDerWaalsContact O-N 3.16Å; R195-E200 HydrophobicContact CB-CB 4.25Å; R195-E200 HydrophobicContact CG-CB 4.17Å; R195-E200 PolarHBondContact O-N 3.06Å; R195-N213 HydrophobicContact CB-CB 4.41Å; R195-N213 PolarHBondContact NH1-O 3.31Å
196	I	77.1	Confident	79.6	Confident	107 Å²	107	70.1 Å²	70.1	55%	0.549	37%	0.367	S	S	.	.	H	α-helix	trans	-71.4	-37.1	173.3	-59.5	174.7	0	0	0	109.9	H193 Q194	H193-I196 VanDerWaalsContact O-CB 3.25Å; H193-I196 WeakPolarHBondContact O-CB 3.41Å; H193-I196 WeakPolarHBondContact O-CG1 3.48Å; H193-I196 PolarHBondContact O-N 3.2Å; Q194-I196 PolarHBondContact O-N 2.77Å; Q194-I196 VanDerWaalsContact O-N 3.12Å
197	H	75.1	Confident	79.8	Confident	70 Å²	70	72.7 Å²	72.7	32%	0.324	38%	0.381	S	S	.	.	H	α-helix	trans	-80.5	-40	-179.7	-58.3	-57.9	0	0	0	111.8	I179 C180 H193 Q194 R195 G199	I179-H197 HydrophobicContact CD1-CB 3.48Å; I179-H197 VanDerWaalsContact CD1-CB 3.48Å; I179-H197 HydrophobicContact CG2-CB 4.21Å; C180-H197 PolarHBondContact SG-NE2 2.67Å; H193-H197 AromaticContact CD2-NE2 3.98Å; H193-H197 AromaticContact CE1-NE2 3.85Å; H193-H197 AromaticContact NE2-CD2 4Å; H193-H197 AromaticContact NE2-NE2 3.21Å; H193-H197 PolarHBondContact NE2-NE2 3.17Å; Q194-H197 PolarHBondContact O-N 3.44Å; R195-H197 VanDerWaalsContact C-N 3.35Å; H197-G199 VanDerWaalsContact C-N 3.26Å; H197-G199 PolarHBondContact O-N 3.18Å
198	T	77.1	Confident	79.8	Confident	80 Å²	80	68.7 Å²	68.7	49%	0.491	37%	0.369	S	S	.	.	S	Bend	trans	-80.1	-7.3	178.3	64.3	0	0	0	0	113.4	Q194 R195 E200	Q194-T198 PolarHBondContact O-N 3.1Å; Q194-T198 VanDerWaalsContact O-N 3.13Å; R195-T198 WeakPolarHBondContact CA-OG1 3.29Å; T198-E200 PolarHBondContact O-N 2.8Å; T198-E200 VanDerWaalsContact O-N 3.08Å; T198-E200 WeakPolarHBondContact OG1-CG 3.44Å
199	G	76.1	Confident	79.9	Confident	51 Å²	51	67.9 Å²	67.9	53%	0.526	37%	0.371	S	S	.	.			trans	67.5	2.7	-175.5	0	0	0	0	0	114.6	R195 H197 R201	R195-G199 CarbonylContact O-C 3.51Å; R195-G199 WeakPolarHBondContact O-CA 3.17Å; R195-G199 PolarHBondContact O-N 3.02Å; R195-G199 VanDerWaalsContact O-N 3.16Å; H197-G199 VanDerWaalsContact C-N 3.26Å; H197-G199 PolarHBondContact O-N 3.18Å; G199-R201 PolarHBondContact O-N 2.76Å
200	E	78.6	Confident	80	Confident	105 Å²	105	70.5 Å²	70.5	49%	0.491	38%	0.38	S	S	.	.			trans	-59.7	121.6	-176.6	-79.8	176.8	-152.9	0	0	112.3	R195 T198 P202	R195-E200 HydrophobicContact CB-CB 4.25Å; R195-E200 HydrophobicContact CG-CB 4.17Å; R195-E200 PolarHBondContact O-N 3.06Å; T198-E200 PolarHBondContact O-N 2.8Å; T198-E200 VanDerWaalsContact O-N 3.08Å; T198-E200 WeakPolarHBondContact OG1-CG 3.44Å; E200-P202 WeakPolarHBondContact O-CD 3.29Å
201	R	81.7	Confident	80.2	Confident	145 Å²	145	76.8 Å²	76.8	55%	0.547	40%	0.403	S	S	.	.			trans	-124.1	81	173.8	-66.4	173.6	176.5	-151.3	12.5	109.9	G199 F203 R211 F212	G199-R201 PolarHBondContact O-N 2.76Å; R201-F203 PolarHBondContact O-N 3.42Å; R201-R211 HydrophobicContact CB-CB 3.55Å; R201-R211 WeakPolarHBondContact CD-O 3.5Å; R201-R211 HydrophobicContact CG-CB 4.45Å; R201-R211 PolarHBondContact NH1-O 2.78Å; R201-R211 PolarHBondContact O-NE 3.25Å; R201-R211 PolarHBondContact O-NH2 2.95Å; R201-R211 VanDerWaalsContact O-NH2 3.1Å; R201-F212 CarbonylContact C-O 3.58Å; R201-F212 VanDerWaalsContact C-O 3.28Å; R201-F212 VanDerWaalsContact CA-O 3.32Å; R201-F212 WeakPolarHBondContact CA-O 3.16Å
202	P	81.7	Confident	80.4	Confident	65 Å²	65	73.9 Å²	73.9	42%	0.422	39%	0.389	S	S	.	.			trans	-70.6	-15.6	-172.3	-20.4	34.1	0	0	0	114.4	E200	E200-P202 WeakPolarHBondContact O-CD 3.29Å
203	F	86.1	Confident	80.4	Confident	61 Å²	61	74.3 Å²	74.3	27%	0.268	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	106.2	-172.9	-54.9	-75.6	0	0	0	109.8	R201 R211 F212 K215 L218	R201-F203 PolarHBondContact O-N 3.42Å; F203-R211 CarbonylContact O-C 3.35Å; F203-R211 WeakPolarHBondContact O-CA 3.45Å; F203-F212 HydrophobicContact CB-CB 4.45Å; F203-F212 PolarHBondContact N-O 3.44Å; F203-F212 VanDerWaalsContact N-O 3.1Å; F203-F212 PolarHBondContact O-N 3.45Å; F203-K215 HydrophobicContact CD1-CB 3.9Å; F203-K215 HydrophobicContact CD1-CG 4.33Å; F203-K215 HydrophobicContact CD2-CB 4.5Å; F203-K215 HydrophobicContact CE1-CB 3.75Å; F203-K215 HydrophobicContact CE1-CD 4.44Å; F203-K215 HydrophobicContact CE1-CG 4.36Å; F203-K215 HydrophobicContact CE2-CB 4.36Å; F203-K215 HydrophobicContact CG-CB 4.27Å; F203-K215 HydrophobicContact CZ-CB 3.99Å; F203-L218 HydrophobicContact CB-CB 4.25Å; F203-L218 HydrophobicContact CB-CD2 3.85Å
204	S	79.1	Confident	80.5	Confident	65 Å²	65	76.7 Å²	76.7	46%	0.455	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	149.1	175	47.5	0	0	0	0	111.6	K210 L218	S204-K210 CarbonylContact C-O 3.5Å; S204-L218 VanDerWaalsContact O-CD2 3.23Å; S204-L218 WeakPolarHBondContact O-CD2 3.18Å
205	C	85.1	Confident	80.6	Confident	3 Å²	3	81 Å²	81	2%	0.02	42%	0.419	C	S	.	.			trans	-86.1	120	166	-175.7	0	0	0	0	109.6	I207 C208 G209 K210 F212 L218 H225	C205-I207 PolarHBondContact O-N 2.91Å; C205-C208 VanDerWaalsContact SG-SG 3.69Å; C205-G209 WeakPolarHBondContact O-CA 3.45Å; C205-G209 PolarHBondContact O-N 2.88Å; C205-K210 PolarHBondContact N-O 2.85Å; C205-F212 HydrophobicContact CB-CE2 4.25Å; C205-L218 HydrophobicContact CB-CD1 3.64Å; C205-H225 VanDerWaalsContact SG-CD2 3.59Å; C205-H225 PolarHBondContact SG-NE2 3.06Å; C205-H225 VanDerWaalsContact SG-NE2 3.42Å
206	D	81.9	Confident	80.5	Confident	120 Å²	120	80.9 Å²	80.9	64%	0.642	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.4	-24.2	177.3	19	-48.1	0	0	0	113	K222	D206-K222 WeakPolarHBondContact OD1-CE 3.38Å; D206-K222 IonicContact OD1-NZ 2.7Å; D206-K222 PolarHBondContact OD1-NZ 2.96Å; D206-K222 IonicContact OD2-NZ 2.98Å; D206-K222 PolarHBondContact OD2-NZ 2.92Å
207	I	80	Confident	80.7	Confident	103 Å²	103	79.6 Å²	79.6	53%	0.528	42%	0.422	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.1	-36.9	-177.8	-59.6	171	0	0	0	112.5	C205 H225	C205-I207 PolarHBondContact O-N 2.91Å; I207-H225 HydrophobicContact CD1-CB 3.51Å; I207-H225 HydrophobicContact CG2-CB 4.17Å
208	C	77.6	Confident	81.2	Confident	50 Å²	50	76.9 Å²	76.9	34%	0.338	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-130.6	8.4	-171.8	72.5	0	0	0	0	114.6	C205 K210 H221 H225	C205-C208 VanDerWaalsContact SG-SG 3.69Å; C208-K210 PolarHBondContact O-N 3.5Å; C208-H221 PolarHBondContact SG-NE2 3.16Å; C208-H225 PolarHBondContact SG-NE2 2.84Å
209	G	79.1	Confident	81.5	Confident	53 Å²	53	76.8 Å²	76.8	55%	0.546	41%	0.406	S	S	.	.			trans	69.1	-8.7	179.5	0	0	0	0	0	115.8	C205 R211	C205-G209 WeakPolarHBondContact O-CA 3.45Å; C205-G209 PolarHBondContact O-N 2.88Å; G209-R211 PolarHBondContact O-N 2.99Å
210	K	79.6	Confident	81.8	Confident	129 Å²	129	76 Å²	76	56%	0.561	39%	0.392	S	S	*	.			trans	-61.2	130.9	-176	-73.9	-178.2	179.2	174.7	0	111.8	S204 C205 C208 F212	S204-K210 CarbonylContact C-O 3.5Å; C205-K210 PolarHBondContact N-O 2.85Å; C208-K210 PolarHBondContact O-N 3.5Å; K210-F212 HydrophobicContact CB-CE2 3.88Å; K210-F212 HydrophobicContact CB-CZ 3.97Å; K210-F212 WeakPolarHBondContact O-CD2 3.38Å; K210-F212 VanDerWaalsContact O-CE2 3.24Å; K210-F212 WeakPolarHBondContact O-CE2 3.49Å
211	R	84.5	Confident	82	Confident	145 Å²	145	72 Å²	72	55%	0.547	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.1	140.9	-178.2	-53.8	-176.6	66.8	152.9	1.2	112.3	R201 F203 G209	R201-R211 HydrophobicContact CB-CB 3.55Å; R201-R211 WeakPolarHBondContact CD-O 3.5Å; R201-R211 HydrophobicContact CG-CB 4.45Å; R201-R211 PolarHBondContact NH1-O 2.78Å; R201-R211 PolarHBondContact O-NE 3.25Å; R201-R211 PolarHBondContact O-NH2 2.95Å; R201-R211 VanDerWaalsContact O-NH2 3.1Å; F203-R211 CarbonylContact O-C 3.35Å; F203-R211 WeakPolarHBondContact O-CA 3.45Å; G209-R211 PolarHBondContact O-N 2.99Å
212	F	84.3	Confident	82	Confident	35 Å²	35	68 Å²	68	15%	0.154	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	150.5	-176.4	-57.5	-86.2	0	0	0	111.4	R201 F203 C205 K210 I217 L218 H221	R201-F212 CarbonylContact C-O 3.58Å; R201-F212 VanDerWaalsContact C-O 3.28Å; R201-F212 VanDerWaalsContact CA-O 3.32Å; R201-F212 WeakPolarHBondContact CA-O 3.16Å; F203-F212 HydrophobicContact CB-CB 4.45Å; F203-F212 PolarHBondContact N-O 3.44Å; F203-F212 VanDerWaalsContact N-O 3.1Å; F203-F212 PolarHBondContact O-N 3.45Å; C205-F212 HydrophobicContact CB-CE2 4.25Å; K210-F212 HydrophobicContact CB-CE2 3.88Å; K210-F212 HydrophobicContact CB-CZ 3.97Å; K210-F212 WeakPolarHBondContact O-CD2 3.38Å; K210-F212 VanDerWaalsContact O-CE2 3.24Å; K210-F212 WeakPolarHBondContact O-CE2 3.49Å; F212-I217 HydrophobicContact CD1-CB 4.35Å; F212-I217 HydrophobicContact CD1-CG2 3.56Å; F212-I217 HydrophobicContact CE1-CG2 4.08Å; F212-I217 HydrophobicContact CG-CG2 4.37Å; F212-L218 HydrophobicContact CB-CB 4.36Å; F212-L218 HydrophobicContact CD2-CB 3.94Å; F212-L218 HydrophobicContact CD2-CD1 3.71Å; F212-L218 HydrophobicContact CD2-CG 4.41Å; F212-L218 HydrophobicContact CE2-CD1 3.83Å; F212-L218 HydrophobicContact CG-CB 4.29Å; F212-H221 HydrophobicContact CE1-CB 4.05Å; F212-H221 HydrophobicContact CE2-CB 4.04Å; F212-H221 AromaticContact CE2-CD2 3.53Å; F212-H221 AromaticContact CE2-CG 3.75Å; F212-H221 HydrophobicContact CZ-CB 3.56Å; F212-H221 AromaticContact CZ-CD2 3.45Å; F212-H221 VanDerWaalsContact CZ-CD2 3.45Å; F212-H221 WeakPolarHBondContact CZ-CD2 3.39Å; F212-H221 AromaticContact CZ-CG 3.23Å; F212-H221 AromaticContact CZ-ND1 3.64Å; F212-H221 AromaticContact CZ-NE2 3.95Å
213	N	80.6	Confident	82	Confident	46 Å²	46	67.7 Å²	67.7	25%	0.246	35%	0.349	C	S	.	.	S	Bend	trans	-83.3	-14	179.2	62.5	13.2	0	0	0	113.6	R195	R195-N213 HydrophobicContact CB-CB 4.41Å; R195-N213 PolarHBondContact NH1-O 3.31Å
214	Q	82.8	Confident	81.7	Confident	71 Å²	71	69.9 Å²	69.9	33%	0.332	36%	0.363	S	S	.	.	S	Bend	trans	-138.9	140.2	-178.6	-69.6	179.5	54.1	0	0	111.5	V192 S216 I217 L218	V192-Q214 VanDerWaalsContact CG1-CD 3.45Å; V192-Q214 HydrophobicContact CG1-CG 3.48Å; V192-Q214 VanDerWaalsContact CG1-CG 3.48Å; Q214-S216 VanDerWaalsContact C-N 3.33Å; Q214-S216 PolarHBondContact O-N 3.01Å; Q214-I217 HydrophobicContact CB-CG1 4.03Å; Q214-I217 PolarHBondContact O-N 3.26Å; Q214-L218 PolarHBondContact O-N 3.01Å
215	K	81.3	Confident	81.4	Confident	130 Å²	130	70.1 Å²	70.1	57%	0.565	36%	0.357	S	S	*	.	H	α-helix	trans	-63.1	-35.7	177.7	-171.4	171.6	-178.5	173.9	0	113.2	F203 I217 L218 N219	F203-K215 HydrophobicContact CD1-CB 3.9Å; F203-K215 HydrophobicContact CD1-CG 4.33Å; F203-K215 HydrophobicContact CD2-CB 4.5Å; F203-K215 HydrophobicContact CE1-CB 3.75Å; F203-K215 HydrophobicContact CE1-CD 4.44Å; F203-K215 HydrophobicContact CE1-CG 4.36Å; F203-K215 HydrophobicContact CE2-CB 4.36Å; F203-K215 HydrophobicContact CG-CB 4.27Å; F203-K215 HydrophobicContact CZ-CB 3.99Å; K215-I217 VanDerWaalsContact C-N 3.31Å; K215-I217 PolarHBondContact O-N 3.08Å; K215-L218 PolarHBondContact O-N 3.41Å; K215-N219 PolarHBondContact O-N 3.07Å; K215-N219 PolarHBondContact O-OD1 3.38Å
216	S	81.2	Confident	81	Confident	64 Å²	64	73.7 Å²	73.7	45%	0.448	38%	0.378	S	S	.	.	H	α-helix	trans	-60.3	-41	177.2	49.7	0	0	0	0	112.2	Q214 N219 V220	Q214-S216 VanDerWaalsContact C-N 3.33Å; Q214-S216 PolarHBondContact O-N 3.01Å; S216-N219 PolarHBondContact O-N 3.26Å; S216-V220 WeakPolarHBondContact O-CG2 3.2Å; S216-V220 PolarHBondContact O-N 3.23Å; S216-V220 VanDerWaalsContact O-N 3.09Å
217	I	81.6	Confident	80.7	Confident	80 Å²	80	70.4 Å²	70.4	41%	0.41	37%	0.373	S	S	.	.	H	α-helix	trans	-69.6	-41	178.2	-55	-59.6	0	0	0	110.7	F212 Q214 K215 N219 V220 H221	F212-I217 HydrophobicContact CD1-CB 4.35Å; F212-I217 HydrophobicContact CD1-CG2 3.56Å; F212-I217 HydrophobicContact CE1-CG2 4.08Å; F212-I217 HydrophobicContact CG-CG2 4.37Å; Q214-I217 HydrophobicContact CB-CG1 4.03Å; Q214-I217 PolarHBondContact O-N 3.26Å; K215-I217 VanDerWaalsContact C-N 3.31Å; K215-I217 PolarHBondContact O-N 3.08Å; I217-N219 PolarHBondContact O-N 3.42Å; I217-V220 PolarHBondContact O-N 3.45Å; I217-H221 WeakPolarHBondContact O-CB 3.36Å; I217-H221 PolarHBondContact O-N 3.1Å
218	L	85.3	Confident	80.6	Confident	13 Å²	13	70.5 Å²	70.5	7%	0.068	37%	0.372	C	S	.	.	H	α-helix	trans	-58.5	-46.8	172.2	172	62.5	0	0	0	111.3	F203 S204 C205 F212 Q214 K215 V220 H221 K222	F203-L218 HydrophobicContact CB-CB 4.25Å; F203-L218 HydrophobicContact CB-CD2 3.85Å; S204-L218 VanDerWaalsContact O-CD2 3.23Å; S204-L218 WeakPolarHBondContact O-CD2 3.18Å; C205-L218 HydrophobicContact CB-CD1 3.64Å; F212-L218 HydrophobicContact CB-CB 4.36Å; F212-L218 HydrophobicContact CD2-CB 3.94Å; F212-L218 HydrophobicContact CD2-CD1 3.71Å; F212-L218 HydrophobicContact CD2-CG 4.41Å; F212-L218 HydrophobicContact CE2-CD1 3.83Å; F212-L218 HydrophobicContact CG-CB 4.29Å; Q214-L218 PolarHBondContact O-N 3.01Å; K215-L218 PolarHBondContact O-N 3.41Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 2.7Å; L218-H221 CarbonylContact O-C 3.59Å; L218-H221 WeakPolarHBondContact O-CA 3.41Å; L218-H221 WeakPolarHBondContact O-CB 3.25Å; L218-H221 PolarHBondContact O-N 3.36Å; L218-H221 VanDerWaalsContact O-N 3.08Å; L218-K222 HydrophobicContact CD1-CG 4.18Å; L218-K222 HydrophobicContact CG-CG 4.49Å; L218-K222 WeakPolarHBondContact O-CG 3.48Å; L218-K222 PolarHBondContact O-N 3.18Å
219	N	83	Confident	80.7	Confident	78 Å²	78	75.1 Å²	75.1	42%	0.417	38%	0.382	S	S	.	.	H	α-helix	trans	-61.1	-40.1	179.6	-72.1	-2.8	0	0	0	112.2	K215 S216 I217 H221 K222	K215-N219 PolarHBondContact O-N 3.07Å; K215-N219 PolarHBondContact O-OD1 3.38Å; S216-N219 PolarHBondContact O-N 3.26Å; I217-N219 PolarHBondContact O-N 3.42Å; N219-H221 VanDerWaalsContact C-N 3.35Å; N219-K222 PolarHBondContact O-N 3.27Å
220	V	82.5	Confident	80.8	Confident	36 Å²	36	75.5 Å²	75.5	22%	0.218	38%	0.375	C	S	.	.	H	α-helix	trans	-67.9	-37.5	174.5	171.8	0	0	0	0	111.2	S216 I217 L218 R223 Q242	S216-V220 WeakPolarHBondContact O-CG2 3.2Å; S216-V220 PolarHBondContact O-N 3.23Å; S216-V220 VanDerWaalsContact O-N 3.09Å; I217-V220 PolarHBondContact O-N 3.45Å; L218-V220 VanDerWaalsContact C-N 3.31Å; L218-V220 PolarHBondContact O-N 2.7Å; V220-R223 WeakPolarHBondContact O-CB 3.42Å; V220-R223 PolarHBondContact O-N 3.34Å; V220-Q242 HydrophobicContact CG1-CG 3.54Å
221	H	84	Confident	81	Confident	21 Å²	21	73 Å²	73	10%	0.097	36%	0.362	C	S	.	.	H	α-helix	trans	-64.7	-40.4	175.1	174.3	72.7	0	0	0	112.4	C208 F212 I217 L218 N219 R223 I224 H225	C208-H221 PolarHBondContact SG-NE2 3.16Å; F212-H221 HydrophobicContact CE1-CB 4.05Å; F212-H221 HydrophobicContact CE2-CB 4.04Å; F212-H221 AromaticContact CE2-CD2 3.53Å; F212-H221 AromaticContact CE2-CG 3.75Å; F212-H221 HydrophobicContact CZ-CB 3.56Å; F212-H221 AromaticContact CZ-CD2 3.45Å; F212-H221 VanDerWaalsContact CZ-CD2 3.45Å; F212-H221 WeakPolarHBondContact CZ-CD2 3.39Å; F212-H221 AromaticContact CZ-CG 3.23Å; F212-H221 AromaticContact CZ-ND1 3.64Å; F212-H221 AromaticContact CZ-NE2 3.95Å; I217-H221 WeakPolarHBondContact O-CB 3.36Å; I217-H221 PolarHBondContact O-N 3.1Å; L218-H221 CarbonylContact O-C 3.59Å; L218-H221 WeakPolarHBondContact O-CA 3.41Å; L218-H221 WeakPolarHBondContact O-CB 3.25Å; L218-H221 PolarHBondContact O-N 3.36Å; L218-H221 VanDerWaalsContact O-N 3.08Å; N219-H221 VanDerWaalsContact C-N 3.35Å; H221-R223 PolarHBondContact O-N 2.77Å; H221-R223 VanDerWaalsContact O-N 3.13Å; H221-I224 VanDerWaalsContact O-CB 3.24Å; H221-I224 WeakPolarHBondContact O-CB 3.44Å; H221-I224 WeakPolarHBondContact O-CG1 3.34Å; H221-I224 PolarHBondContact O-N 2.92Å; H221-H225 AromaticContact CD2-NE2 3.92Å; H221-H225 AromaticContact CE1-NE2 3.95Å; H221-H225 AromaticContact NE2-NE2 3.23Å; H221-H225 PolarHBondContact NE2-NE2 3.17Å
222	K	80.3	Confident	80.5	Confident	59 Å²	59	68.2 Å²	68.2	26%	0.257	35%	0.351	S	S	.	.	H	α-helix	trans	-56.7	-29.3	177.3	-74.6	-168	178.2	-155.1	0	112.9	D206 L218 N219 I224 H225 T226	D206-K222 WeakPolarHBondContact OD1-CE 3.38Å; D206-K222 IonicContact OD1-NZ 2.7Å; D206-K222 PolarHBondContact OD1-NZ 2.96Å; D206-K222 IonicContact OD2-NZ 2.98Å; D206-K222 PolarHBondContact OD2-NZ 2.92Å; L218-K222 HydrophobicContact CD1-CG 4.18Å; L218-K222 HydrophobicContact CG-CG 4.49Å; L218-K222 WeakPolarHBondContact O-CG 3.48Å; L218-K222 PolarHBondContact O-N 3.18Å; N219-K222 PolarHBondContact O-N 3.27Å; K222-I224 PolarHBondContact O-N 2.8Å; K222-I224 VanDerWaalsContact O-N 3.15Å; K222-H225 PolarHBondContact O-N 3.47Å; K222-T226 PolarHBondContact O-N 3.24Å; K222-T226 VanDerWaalsContact O-N 3.14Å
223	R	83.3	Confident	80.3	Confident	59 Å²	59	66.7 Å²	66.7	22%	0.223	35%	0.345	C	S	.	.	H	α-helix	trans	-63.3	-17	174.4	-60.6	178.3	-177.1	170.4	-1.1	114.2	V220 H221 T226 G227 E228 N241	V220-R223 WeakPolarHBondContact O-CB 3.42Å; V220-R223 PolarHBondContact O-N 3.34Å; H221-R223 PolarHBondContact O-N 2.77Å; H221-R223 VanDerWaalsContact O-N 3.13Å; R223-T226 WeakPolarHBondContact CA-OG1 3.4Å; R223-G227 PolarHBondContact O-N 3.03Å; R223-E228 HydrophobicContact CB-CB 4.36Å; R223-E228 HydrophobicContact CG-CB 4.33Å; R223-E228 PolarHBondContact O-N 2.8Å; R223-N241 HydrophobicContact CB-CB 4.46Å; R223-N241 PolarHBondContact NH1-O 3Å
224	I	78.2	Confident	80.2	Confident	108 Å²	108	72.6 Å²	72.6	55%	0.554	37%	0.371	S	S	*	.	H	α-helix	trans	-71.3	-38.5	173.3	-59.2	175.8	0	0	0	109.8	H221 K222	H221-I224 VanDerWaalsContact O-CB 3.24Å; H221-I224 WeakPolarHBondContact O-CB 3.44Å; H221-I224 WeakPolarHBondContact O-CG1 3.34Å; H221-I224 PolarHBondContact O-N 2.92Å; K222-I224 PolarHBondContact O-N 2.8Å; K222-I224 VanDerWaalsContact O-N 3.15Å
225	H	74.4	Confident	79.6	Confident	69 Å²	69	74 Å²	74	32%	0.319	38%	0.384	S	S	.	.	H	α-helix	trans	-78.3	-39.7	-179.5	-57.8	-54.1	0	0	0	112.1	C205 I207 C208 H221 K222 G227	C205-H225 VanDerWaalsContact SG-CD2 3.59Å; C205-H225 PolarHBondContact SG-NE2 3.06Å; C205-H225 VanDerWaalsContact SG-NE2 3.42Å; I207-H225 HydrophobicContact CD1-CB 3.51Å; I207-H225 HydrophobicContact CG2-CB 4.17Å; C208-H225 PolarHBondContact SG-NE2 2.84Å; H221-H225 AromaticContact CD2-NE2 3.92Å; H221-H225 AromaticContact CE1-NE2 3.95Å; H221-H225 AromaticContact NE2-NE2 3.23Å; H221-H225 PolarHBondContact NE2-NE2 3.17Å; K222-H225 PolarHBondContact O-N 3.47Å; H225-G227 VanDerWaalsContact C-N 3.27Å; H225-G227 PolarHBondContact O-N 2.76Å
226	T	75.8	Confident	79.2	Confident	78 Å²	78	69.2 Å²	69.2	48%	0.479	37%	0.367	S	S	.	.	S	Bend	trans	-80	-8.5	178.2	63.9	0	0	0	0	113.4	K222 R223 E228	K222-T226 PolarHBondContact O-N 3.24Å; K222-T226 VanDerWaalsContact O-N 3.14Å; R223-T226 WeakPolarHBondContact CA-OG1 3.4Å; T226-E228 PolarHBondContact O-N 3.49Å; T226-E228 VanDerWaalsContact O-N 3.08Å; T226-E228 WeakPolarHBondContact OG1-CG 3.37Å
227	G	75.5	Confident	78.8	Confident	52 Å²	52	68.7 Å²	68.7	54%	0.536	37%	0.372	S	S	.	.			trans	67	3.1	-174.8	0	0	0	0	0	114.6	R223 H225 R229	R223-G227 PolarHBondContact O-N 3.03Å; H225-G227 VanDerWaalsContact C-N 3.27Å; H225-G227 PolarHBondContact O-N 2.76Å; G227-R229 PolarHBondContact O-N 2.99Å
228	E	77	Confident	78.3	Confident	105 Å²	105	69.6 Å²	69.6	49%	0.491	37%	0.372	S	S	.	.			trans	-59.8	122.8	-176.8	-79.3	177	-159.4	0	0	112	R223 T226 P230	R223-E228 HydrophobicContact CB-CB 4.36Å; R223-E228 HydrophobicContact CG-CB 4.33Å; R223-E228 PolarHBondContact O-N 2.8Å; T226-E228 PolarHBondContact O-N 3.49Å; T226-E228 VanDerWaalsContact O-N 3.08Å; T226-E228 WeakPolarHBondContact OG1-CG 3.37Å; E228-P230 WeakPolarHBondContact O-CD 3.49Å
229	R	81.1	Confident	78	Confident	146 Å²	146	75.9 Å²	75.9	55%	0.551	40%	0.395	S	S	*	.			trans	-123.7	81.1	173.5	-69	175.9	165.5	-166.6	5.2	109.8	G227 Y231 R239 F240	G227-R229 PolarHBondContact O-N 2.99Å; R229-Y231 PolarHBondContact O-N 2.89Å; R229-R239 HydrophobicContact CB-CB 3.53Å; R229-R239 WeakPolarHBondContact CD-O 3.41Å; R229-R239 HydrophobicContact CG-CB 4.45Å; R229-R239 PolarHBondContact NH1-O 3.27Å; R229-R239 PolarHBondContact O-NE 3.17Å; R229-R239 PolarHBondContact O-NH2 3.14Å; R229-R239 VanDerWaalsContact O-NH2 3.09Å; R229-F240 CarbonylContact C-O 3.26Å; R229-F240 VanDerWaalsContact C-O 3.28Å; R229-F240 VanDerWaalsContact CA-O 3.29Å; R229-F240 WeakPolarHBondContact CA-O 3.04Å
230	P	81.6	Confident	78	Confident	62 Å²	62	73.8 Å²	73.8	40%	0.403	38%	0.382	S	S	.	.			trans	-67.9	-19.7	-172.9	-21.6	34.3	0	0	0	114	E228	E228-P230 WeakPolarHBondContact O-CD 3.49Å
231	Y	83.1	Confident	77.8	Confident	76 Å²	76	74.1 Å²	74.1	30%	0.298	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.3	110.7	-171.9	-54.5	-75.9	0	0	0	110.2	R229 R239 F240 K243	R229-Y231 PolarHBondContact O-N 2.89Å; Y231-R239 CarbonylContact O-C 3.24Å; Y231-R239 WeakPolarHBondContact O-CA 3.43Å; Y231-F240 PolarHBondContact N-O 3.01Å; Y231-F240 VanDerWaalsContact N-O 3.13Å; Y231-F240 PolarHBondContact O-N 3.44Å; Y231-K243 HydrophobicContact CD1-CB 3.98Å; Y231-K243 HydrophobicContact CD1-CG 4.43Å; Y231-K243 HydrophobicContact CE1-CB 3.8Å; Y231-K243 HydrophobicContact CE1-CG 4.44Å; Y231-K243 HydrophobicContact CE2-CB 4.37Å; Y231-K243 HydrophobicContact CG-CB 4.36Å
232	S	74.3	Confident	77.8	Confident	45 Å²	45	76.5 Å²	76.5	32%	0.315	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	144.2	176.6	51.8	0	0	0	0	111.9	K238 L246	S232-K238 CarbonylContact C-O 3.58Å; S232-L246 WeakPolarHBondContact O-CD2 3.43Å
233	C	79.9	Confident	77.8	Confident	2 Å²	2	79.5 Å²	79.5	1%	0.014	41%	0.407	C	S	.	.			trans	-85.5	119.8	168.9	179.5	0	0	0	0	109.5	V235 C236 G237 K238 F240 L246 H253	C233-V235 VanDerWaalsContact C-N 3.25Å; C233-V235 PolarHBondContact O-N 3.31Å; C233-C236 VanDerWaalsContact SG-SG 3.65Å; C233-G237 VanDerWaalsContact O-CA 3.24Å; C233-G237 WeakPolarHBondContact O-CA 3.21Å; C233-G237 PolarHBondContact O-N 3.36Å; C233-K238 WeakPolarHBondContact CB-O 3.2Å; C233-K238 PolarHBondContact N-O 3.42Å; C233-F240 HydrophobicContact CB-CE2 4.18Å; C233-L246 HydrophobicContact CB-CD1 3.6Å; C233-H253 PolarHBondContact SG-NE2 2.81Å; C233-H253 VanDerWaalsContact SG-NE2 3.4Å
234	Q	77.7	Confident	77.6	Confident	170 Å²	170	80 Å²	80	79%	0.794	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-24.8	-179.4	-55.3	-56.5	-16.7	0	0	113.1
235	V	71.5	Confident	77.7	Confident	102 Å²	102	79 Å²	79	62%	0.618	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.3	-30.3	-178	-175.7	0	0	0	0	112.8	C233 H253	C233-V235 VanDerWaalsContact C-N 3.25Å; C233-V235 PolarHBondContact O-N 3.31Å; V235-H253 HydrophobicContact CB-CB 4.45Å; V235-H253 HydrophobicContact CG1-CB 3.99Å
236	C	72	Confident	78.1	Confident	29 Å²	29	76.7 Å²	76.7	20%	0.196	40%	0.404	C	S	.	.	T	Hydrogen-bonded Turn	trans	-138.9	8.1	-173.7	74.5	0	0	0	0	115.3	C233 K238 H249 H253	C233-C236 VanDerWaalsContact SG-SG 3.65Å; C236-K238 PolarHBondContact O-N 3.3Å; C236-H249 PolarHBondContact SG-NE2 2.92Å; C236-H253 VanDerWaalsContact SG-CE1 3.55Å; C236-H253 PolarHBondContact SG-NE2 2.8Å
237	G	72.8	Confident	78.2	Confident	53 Å²	53	76.2 Å²	76.2	55%	0.546	40%	0.399	S	S	.	.			trans	68.7	-3.2	178.6	0	0	0	0	0	115.7	C233 R239	C233-G237 VanDerWaalsContact O-CA 3.24Å; C233-G237 WeakPolarHBondContact O-CA 3.21Å; C233-G237 PolarHBondContact O-N 3.36Å; G237-R239 PolarHBondContact O-N 3.23Å
238	K	70.3	Confident	78.3	Confident	98 Å²	98	75 Å²	75	43%	0.426	39%	0.387	S	S	.	.			trans	-65.1	132.2	-178.4	-73.5	-178.7	-179	178.5	0	111.3	S232 C233 C236 F240	S232-K238 CarbonylContact C-O 3.58Å; C233-K238 WeakPolarHBondContact CB-O 3.2Å; C233-K238 PolarHBondContact N-O 3.42Å; C236-K238 PolarHBondContact O-N 3.3Å; K238-F240 HydrophobicContact CB-CE2 3.78Å; K238-F240 HydrophobicContact CB-CZ 3.87Å; K238-F240 WeakPolarHBondContact O-CD2 3.34Å; K238-F240 VanDerWaalsContact O-CE2 3.28Å; K238-F240 WeakPolarHBondContact O-CE2 3.42Å
239	R	79.8	Confident	78.5	Confident	145 Å²	145	71.2 Å²	71.2	55%	0.547	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.8	143.4	179.1	-52.7	-175.5	67.8	143.5	1.1	111.9	R229 Y231 G237	R229-R239 HydrophobicContact CB-CB 3.53Å; R229-R239 WeakPolarHBondContact CD-O 3.41Å; R229-R239 HydrophobicContact CG-CB 4.45Å; R229-R239 PolarHBondContact NH1-O 3.27Å; R229-R239 PolarHBondContact O-NE 3.17Å; R229-R239 PolarHBondContact O-NH2 3.14Å; R229-R239 VanDerWaalsContact O-NH2 3.09Å; Y231-R239 CarbonylContact O-C 3.24Å; Y231-R239 WeakPolarHBondContact O-CA 3.43Å; G237-R239 PolarHBondContact O-N 3.23Å
240	F	82.3	Confident	78.3	Confident	34 Å²	34	66.7 Å²	66.7	15%	0.149	36%	0.357	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	151	-176.2	-57.9	-86.7	0	0	0	111	R229 Y231 C233 K238 I245 L246 H249	R229-F240 CarbonylContact C-O 3.26Å; R229-F240 VanDerWaalsContact C-O 3.28Å; R229-F240 VanDerWaalsContact CA-O 3.29Å; R229-F240 WeakPolarHBondContact CA-O 3.04Å; Y231-F240 PolarHBondContact N-O 3.01Å; Y231-F240 VanDerWaalsContact N-O 3.13Å; Y231-F240 PolarHBondContact O-N 3.44Å; C233-F240 HydrophobicContact CB-CE2 4.18Å; K238-F240 HydrophobicContact CB-CE2 3.78Å; K238-F240 HydrophobicContact CB-CZ 3.87Å; K238-F240 WeakPolarHBondContact O-CD2 3.34Å; K238-F240 VanDerWaalsContact O-CE2 3.28Å; K238-F240 WeakPolarHBondContact O-CE2 3.42Å; F240-I245 HydrophobicContact CD1-CB 4.35Å; F240-I245 HydrophobicContact CD1-CG2 3.56Å; F240-I245 HydrophobicContact CE1-CG2 4.11Å; F240-I245 HydrophobicContact CG-CG2 4.37Å; F240-L246 HydrophobicContact CB-CB 4.3Å; F240-L246 HydrophobicContact CD2-CB 3.92Å; F240-L246 HydrophobicContact CD2-CD1 3.68Å; F240-L246 HydrophobicContact CD2-CG 4.39Å; F240-L246 HydrophobicContact CE2-CD1 3.83Å; F240-L246 HydrophobicContact CG-CB 4.26Å; F240-H249 HydrophobicContact CE1-CB 4Å; F240-H249 HydrophobicContact CE2-CB 4.04Å; F240-H249 AromaticContact CE2-CD2 3.32Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.45Å; F240-H249 AromaticContact CE2-CG 3.74Å; F240-H249 HydrophobicContact CZ-CB 3.54Å; F240-H249 AromaticContact CZ-CD2 3.27Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.24Å; F240-H249 AromaticContact CZ-CG 3.23Å; F240-H249 AromaticContact CZ-ND1 3.87Å; F240-H249 AromaticContact CZ-NE2 3.88Å
241	N	79.9	Confident	78.2	Confident	43 Å²	43	66.4 Å²	66.4	23%	0.23	35%	0.348	C	S	.	.	S	Bend	trans	-85	-13.7	-179.7	61.4	9.3	0	0	0	113.5	R223	R223-N241 HydrophobicContact CB-CB 4.46Å; R223-N241 PolarHBondContact NH1-O 3Å
242	Q	82.5	Confident	77.8	Confident	71 Å²	71	66.7 Å²	66.7	33%	0.332	36%	0.358	S	S	.	.	S	Bend	trans	-138.7	141.6	-179.5	-67.6	179.1	44.5	0	0	111	V220 S244 I245 L246	V220-Q242 HydrophobicContact CG1-CG 3.54Å; Q242-S244 PolarHBondContact O-N 3.18Å; Q242-I245 HydrophobicContact CB-CG1 4Å; Q242-I245 PolarHBondContact O-N 3.13Å; Q242-L246 PolarHBondContact O-N 3.19Å
243	K	80.6	Confident	77.6	Confident	123 Å²	123	68.1 Å²	68.1	54%	0.535	36%	0.359	S	S	.	.	H	α-helix	trans	-62.2	-41.9	178.5	-174.2	175.9	176.9	175.1	0	112.7	Y231 I245 L246 D247	Y231-K243 HydrophobicContact CD1-CB 3.98Å; Y231-K243 HydrophobicContact CD1-CG 4.43Å; Y231-K243 HydrophobicContact CE1-CB 3.8Å; Y231-K243 HydrophobicContact CE1-CG 4.44Å; Y231-K243 HydrophobicContact CE2-CB 4.37Å; Y231-K243 HydrophobicContact CG-CB 4.36Å; K243-I245 PolarHBondContact O-N 3Å; K243-L246 CarbonylContact O-C 3.58Å; K243-L246 WeakPolarHBondContact O-CA 3.42Å; K243-L246 WeakPolarHBondContact O-CB 3.35Å; K243-L246 PolarHBondContact O-N 3.42Å; K243-D247 VanDerWaalsContact O-CG 3.24Å; K243-D247 PolarHBondContact O-N 3.13Å
244	S	79.6	Confident	77.1	Confident	70 Å²	70	71.7 Å²	71.7	49%	0.49	38%	0.382	S	S	.	.	H	α-helix	trans	-58.2	-34.3	178.6	52.4	0	0	0	0	113.4	Q242 G248	Q242-S244 PolarHBondContact O-N 3.18Å; S244-G248 PolarHBondContact O-N 3.1Å
245	I	79.7	Confident	76.6	Confident	85 Å²	85	66 Å²	66	44%	0.436	37%	0.368	S	S	.	.	H	α-helix	trans	-74.8	-39.4	176.9	-54.6	-60.6	0	0	0	110.5	F240 Q242 K243 G248 H249	F240-I245 HydrophobicContact CD1-CB 4.35Å; F240-I245 HydrophobicContact CD1-CG2 3.56Å; F240-I245 HydrophobicContact CE1-CG2 4.11Å; F240-I245 HydrophobicContact CG-CG2 4.37Å; Q242-I245 HydrophobicContact CB-CG1 4Å; Q242-I245 PolarHBondContact O-N 3.13Å; K243-I245 PolarHBondContact O-N 3Å; I245-G248 PolarHBondContact O-N 3.21Å; I245-H249 VanDerWaalsContact O-CB 3.31Å; I245-H249 WeakPolarHBondContact O-CB 3.24Å; I245-H249 PolarHBondContact O-N 3.22Å
246	L	82.8	Confident	76.6	Confident	21 Å²	21	66.6 Å²	66.6	11%	0.11	36%	0.364	C	S	.	.	H	α-helix	trans	-60	-49.6	170.8	171.8	63.7	0	0	0	110.7	S232 C233 F240 Q242 K243 G248 H249 V250	S232-L246 WeakPolarHBondContact O-CD2 3.43Å; C233-L246 HydrophobicContact CB-CD1 3.6Å; F240-L246 HydrophobicContact CB-CB 4.3Å; F240-L246 HydrophobicContact CD2-CB 3.92Å; F240-L246 HydrophobicContact CD2-CD1 3.68Å; F240-L246 HydrophobicContact CD2-CG 4.39Å; F240-L246 HydrophobicContact CE2-CD1 3.83Å; F240-L246 HydrophobicContact CG-CB 4.26Å; Q242-L246 PolarHBondContact O-N 3.19Å; K243-L246 CarbonylContact O-C 3.58Å; K243-L246 WeakPolarHBondContact O-CA 3.42Å; K243-L246 WeakPolarHBondContact O-CB 3.35Å; K243-L246 PolarHBondContact O-N 3.42Å; L246-G248 VanDerWaalsContact C-N 3.26Å; L246-G248 PolarHBondContact O-N 3.41Å; L246-H249 CarbonylContact O-C 3.53Å; L246-H249 WeakPolarHBondContact O-CA 3.45Å; L246-H249 WeakPolarHBondContact O-CB 3.21Å; L246-H249 PolarHBondContact O-N 2.95Å; L246-V250 HydrophobicContact CD1-CG2 3.87Å; L246-V250 HydrophobicContact CG-CG2 4.23Å; L246-V250 WeakPolarHBondContact O-CG2 3.44Å; L246-V250 PolarHBondContact O-N 2.93Å
247	D	78.9	Confident	76.8	Confident	69 Å²	69	72.8 Å²	72.8	37%	0.369	38%	0.383	S	S	.	.	H	α-helix	trans	-61.3	-35.9	-179.7	-61.5	-20.3	0	0	0	111.7	K243 R251	K243-D247 VanDerWaalsContact O-CG 3.24Å; K243-D247 PolarHBondContact O-N 3.13Å; D247-R251 PolarHBondContact O-NE 2.74Å
248	G	78.1	Confident	77	Confident	27 Å²	27	73.8 Å²	73.8	28%	0.278	38%	0.38	S	S	.	.	H	α-helix	trans	-70.6	-31.9	172.2	0	0	0	0	0	113.3	S244 I245 L246	S244-G248 PolarHBondContact O-N 3.1Å; I245-G248 PolarHBondContact O-N 3.21Å; L246-G248 VanDerWaalsContact C-N 3.26Å; L246-G248 PolarHBondContact O-N 3.41Å
249	H	79.9	Confident	77.3	Confident	24 Å²	24	72.6 Å²	72.6	11%	0.111	37%	0.374	C	S	.	.	H	α-helix	trans	-74.9	-39	175.3	169.5	63.3	0	0	0	112.4	C236 F240 I245 L246 R251 T252 H253	C236-H249 PolarHBondContact SG-NE2 2.92Å; F240-H249 HydrophobicContact CE1-CB 4Å; F240-H249 HydrophobicContact CE2-CB 4.04Å; F240-H249 AromaticContact CE2-CD2 3.32Å; F240-H249 WeakPolarHBondContact CE2-CD2 3.45Å; F240-H249 AromaticContact CE2-CG 3.74Å; F240-H249 HydrophobicContact CZ-CB 3.54Å; F240-H249 AromaticContact CZ-CD2 3.27Å; F240-H249 WeakPolarHBondContact CZ-CD2 3.24Å; F240-H249 AromaticContact CZ-CG 3.23Å; F240-H249 AromaticContact CZ-ND1 3.87Å; F240-H249 AromaticContact CZ-NE2 3.88Å; I245-H249 VanDerWaalsContact O-CB 3.31Å; I245-H249 WeakPolarHBondContact O-CB 3.24Å; I245-H249 PolarHBondContact O-N 3.22Å; L246-H249 CarbonylContact O-C 3.53Å; L246-H249 WeakPolarHBondContact O-CA 3.45Å; L246-H249 WeakPolarHBondContact O-CB 3.21Å; L246-H249 PolarHBondContact O-N 2.95Å; H249-R251 PolarHBondContact O-N 3.09Å; H249-T252 PolarHBondContact ND1-OG1 3.39Å; H249-T252 WeakPolarHBondContact O-CA 3.36Å; H249-T252 VanDerWaalsContact O-CB 3.31Å; H249-T252 WeakPolarHBondContact O-CB 3.47Å; H249-T252 PolarHBondContact O-N 2.74Å; H249-T252 PolarHBondContact O-OG1 3.27Å; H249-H253 AromaticContact CD2-NE2 3.82Å; H249-H253 AromaticContact CE1-CE1 3.82Å; H249-H253 AromaticContact CE1-NE2 3.29Å; H249-H253 PolarHBondContact CE1-NE2 3.32Å; H249-H253 VanDerWaalsContact CE1-NE2 3.29Å; H249-H253 AromaticContact NE2-CD2 3.89Å; H249-H253 AromaticContact NE2-CE1 3.83Å; H249-H253 AromaticContact NE2-NE2 2.97Å; H249-H253 PolarHBondContact NE2-NE2 3.48Å
250	V	77.6	Confident	77.1	Confident	51 Å²	51	69 Å²	69	31%	0.309	37%	0.37	S	S	.	.	H	α-helix	trans	-58.6	-36.2	178	171.3	0	0	0	0	110.9	L246 T252 H253 T254	L246-V250 HydrophobicContact CD1-CG2 3.87Å; L246-V250 HydrophobicContact CG-CG2 4.23Å; L246-V250 WeakPolarHBondContact O-CG2 3.44Å; L246-V250 PolarHBondContact O-N 2.93Å; V250-T252 PolarHBondContact O-N 3.41Å; V250-H253 PolarHBondContact O-N 3.03Å; V250-T254 HydrophobicContact CG1-CG2 4.45Å; V250-T254 PolarHBondContact O-N 2.93Å
251	R	79.8	Confident	76.9	Confident	57 Å²	57	67.4 Å²	67.4	22%	0.215	36%	0.364	C	S	.	.	H	α-helix	trans	-58.4	-17.7	171.6	-71.5	175.3	-112.8	-167	-18.1	114.9	D247 H249 H253 G255 E256 K269	D247-R251 PolarHBondContact O-NE 2.74Å; H249-R251 PolarHBondContact O-N 3.09Å; R251-H253 VanDerWaalsContact C-N 3.35Å; R251-G255 PolarHBondContact O-N 2.87Å; R251-G255 VanDerWaalsContact O-N 3.16Å; R251-E256 HydrophobicContact CG-CB 4.41Å; R251-K269 PolarHBondContact NH1-O 3.36Å
252	T	73.3	Confident	76.7	Confident	81 Å²	81	75.1 Å²	75.1	50%	0.497	40%	0.395	S	S	.	.	H	α-helix	trans	-79.4	-18.8	173.7	68.5	0	0	0	0	113.4	H249 V250	H249-T252 PolarHBondContact ND1-OG1 3.39Å; H249-T252 WeakPolarHBondContact O-CA 3.36Å; H249-T252 VanDerWaalsContact O-CB 3.31Å; H249-T252 WeakPolarHBondContact O-CB 3.47Å; H249-T252 PolarHBondContact O-N 2.74Å; H249-T252 PolarHBondContact O-OG1 3.27Å; V250-T252 PolarHBondContact O-N 3.41Å
253	H	71.4	Confident	76.1	Confident	75 Å²	75	76.5 Å²	76.5	35%	0.347	41%	0.408	S	S	.	.	H	α-helix	trans	-90.4	-41.1	174.1	-57.8	-60.1	0	0	0	111.4	C233 V235 C236 H249 V250 R251 G255	C233-H253 PolarHBondContact SG-NE2 2.81Å; C233-H253 VanDerWaalsContact SG-NE2 3.4Å; V235-H253 HydrophobicContact CB-CB 4.45Å; V235-H253 HydrophobicContact CG1-CB 3.99Å; C236-H253 VanDerWaalsContact SG-CE1 3.55Å; C236-H253 PolarHBondContact SG-NE2 2.8Å; H249-H253 AromaticContact CD2-NE2 3.82Å; H249-H253 AromaticContact CE1-CE1 3.82Å; H249-H253 AromaticContact CE1-NE2 3.29Å; H249-H253 PolarHBondContact CE1-NE2 3.32Å; H249-H253 VanDerWaalsContact CE1-NE2 3.29Å; H249-H253 AromaticContact NE2-CD2 3.89Å; H249-H253 AromaticContact NE2-CE1 3.83Å; H249-H253 AromaticContact NE2-NE2 2.97Å; H249-H253 PolarHBondContact NE2-NE2 3.48Å; V250-H253 PolarHBondContact O-N 3.03Å; R251-H253 VanDerWaalsContact C-N 3.35Å; H253-G255 VanDerWaalsContact C-N 3.33Å
254	T	68.3	Low	76	Confident	78 Å²	78	73 Å²	73	48%	0.479	40%	0.399	S	S	.	.	H	α-helix	trans	-80.2	-15	-179.3	60.6	0	0	0	0	113.3	V250 E256	V250-T254 HydrophobicContact CG1-CG2 4.45Å; V250-T254 PolarHBondContact O-N 2.93Å; T254-E256 PolarHBondContact O-N 3.17Å; T254-E256 VanDerWaalsContact O-N 3.13Å; T254-E256 WeakPolarHBondContact OG1-CG 3.36Å; T254-E256 PolarHBondContact OG1-N 2.96Å
255	G	68.6	Low	75.5	Confident	49 Å²	49	72.5 Å²	72.5	51%	0.505	40%	0.404	S	S	.	.			trans	70.6	-0	-174.6	0	0	0	0	0	114	R251 H253 R257	R251-G255 PolarHBondContact O-N 2.87Å; R251-G255 VanDerWaalsContact O-N 3.16Å; H253-G255 VanDerWaalsContact C-N 3.33Å; G255-R257 PolarHBondContact O-N 2.89Å
256	E	71.3	Confident	75.2	Confident	115 Å²	115	74.5 Å²	74.5	54%	0.537	41%	0.41	S	S	.	.			trans	-59.2	128.4	-178.3	-75.6	178.5	-177.4	0	0	111.6	R251 T254 P258	R251-E256 HydrophobicContact CG-CB 4.41Å; T254-E256 PolarHBondContact O-N 3.17Å; T254-E256 VanDerWaalsContact O-N 3.13Å; T254-E256 WeakPolarHBondContact OG1-CG 3.36Å; T254-E256 PolarHBondContact OG1-N 2.96Å; E256-P258 WeakPolarHBondContact O-CD 3.29Å
257	R	75.1	Confident	74.9	Confident	160 Å²	160	75.7 Å²	75.7	60%	0.604	42%	0.42	S	S	*	.			trans	-123.4	77	175.2	-71.7	170.7	136	109.2	-3.8	109	G255 Y259 S267 F268	G255-R257 PolarHBondContact O-N 2.89Å; R257-Y259 PolarHBondContact O-N 2.98Å; R257-S267 VanDerWaalsContact CB-CB 3.43Å; R257-S267 WeakPolarHBondContact CD-O 3.32Å; R257-S267 PolarHBondContact NE-O 3.19Å; R257-F268 CarbonylContact C-O 3.6Å; R257-F268 WeakPolarHBondContact CA-O 3.16Å
258	P	76.6	Confident	74.8	Confident	73 Å²	73	74.5 Å²	74.5	47%	0.474	41%	0.412	S	S	.	.			trans	-65.2	-13	-169.2	-21.6	33.8	0	0	0	114.5	E256	E256-P258 WeakPolarHBondContact O-CD 3.29Å
259	Y	78.3	Confident	74.5	Confident	74 Å²	74	79.2 Å²	79.2	29%	0.29	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	91.9	-174.7	-55.5	-73.9	0	0	0	109.4	R257 S267 F268 S270 Q271	R257-Y259 PolarHBondContact O-N 2.98Å; Y259-S267 CarbonylContact O-C 3.54Å; Y259-S267 WeakPolarHBondContact O-CA 3.24Å; Y259-F268 PolarHBondContact N-O 3.08Å; Y259-F268 PolarHBondContact O-N 3.15Å; Y259-S270 VanDerWaalsContact CD2-CA 3.48Å; Y259-Q271 HydrophobicContact CD1-CB 3.98Å; Y259-Q271 VanDerWaalsContact CD2-N 3.33Å; Y259-Q271 HydrophobicContact CE1-CB 3.76Å; Y259-Q271 HydrophobicContact CE1-CG 4.46Å; Y259-Q271 HydrophobicContact CE2-CB 4.41Å; Y259-Q271 HydrophobicContact CG-CB 4.4Å
260	S	73.9	Confident	74.2	Confident	68 Å²	68	79.8 Å²	79.8	48%	0.476	43%	0.431	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.7	142.9	177	54.9	0	0	0	0	111.8
261	C	79.9	Confident	74.1	Confident	2 Å²	2	81.3 Å²	81.3	1%	0.014	44%	0.435	C	S	.	.			trans	-82.2	119.1	169.5	176.6	0	0	0	0	109.7	T263 C264 G265 K266 F268 L274 H277 M278 H281	C261-T263 VanDerWaalsContact C-N 3.26Å; C261-T263 PolarHBondContact O-N 3.2Å; C261-T263 PolarHBondContact SG-N 2.8Å; C261-T263 VanDerWaalsContact SG-N 3.44Å; C261-C264 PolarHBondContact SG-N 2.66Å; C261-C264 VanDerWaalsContact SG-SG 3.69Å; C261-G265 WeakPolarHBondContact O-CA 3.5Å; C261-G265 PolarHBondContact O-N 3.24Å; C261-K266 WeakPolarHBondContact CB-O 3.25Å; C261-K266 PolarHBondContact N-O 3.44Å; C261-F268 HydrophobicContact CB-CE2 4.4Å; C261-L274 HydrophobicContact CB-CD1 3.85Å; C261-H277 WeakPolarHBondContact CB-NE2 2.97Å; C261-H277 PolarHBondContact SG-NE2 3.16Å; C261-H277 VanDerWaalsContact SG-NE2 3.42Å; C261-M278 VanDerWaalsContact CA-CE 3.41Å; C261-M278 HydrophobicContact CB-CE 3.67Å; C261-M278 WeakPolarHBondContact SG-CE 3.07Å; C261-H281 PolarHBondContact SG-CD2 2.99Å; C261-H281 PolarHBondContact SG-NE2 3.13Å
262	K	75.1	Confident	73.9	Confident	205 Å²	205	82.7 Å²	82.7	89%	0.891	45%	0.454	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.1	-28.3	176.9	-64	-170.9	176.5	-170.7	0	113.1
263	T	70.4	Confident	74.1	Confident	99 Å²	99	80.9 Å²	80.9	61%	0.607	44%	0.444	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80	-34.2	-176.4	-43.6	0	0	0	0	113.5	C261 H281	C261-T263 VanDerWaalsContact C-N 3.26Å; C261-T263 PolarHBondContact O-N 3.2Å; C261-T263 PolarHBondContact SG-N 2.8Å; C261-T263 VanDerWaalsContact SG-N 3.44Å; T263-H281 HydrophobicContact CG2-CB 4.13Å
264	C	76.6	Confident	74.4	Confident	51 Å²	51	78 Å²	78	35%	0.345	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-135.5	13.1	-176	80.4	0	0	0	0	114.5	C261 K266 H277 H281	C261-C264 PolarHBondContact SG-N 2.66Å; C261-C264 VanDerWaalsContact SG-SG 3.69Å; C264-K266 PolarHBondContact O-N 2.7Å; C264-H277 VanDerWaalsContact SG-CE1 3.53Å; C264-H277 PolarHBondContact SG-NE2 3.08Å; C264-H281 VanDerWaalsContact SG-CE1 3.54Å; C264-H281 PolarHBondContact SG-NE2 2.97Å; C264-H281 VanDerWaalsContact SG-NE2 3.4Å
265	G	70.5	Confident	74.8	Confident	58 Å²	58	79 Å²	79	60%	0.598	43%	0.433	S	S	*	.			trans	67.7	-4.5	177.2	0	0	0	0	0	116.3	C261 S267	C261-G265 WeakPolarHBondContact O-CA 3.5Å; C261-G265 PolarHBondContact O-N 3.24Å; G265-S267 PolarHBondContact O-N 3.1Å
266	K	72.9	Confident	74.9	Confident	127 Å²	127	79.7 Å²	79.7	55%	0.552	43%	0.427	S	S	*	.			trans	-69.3	129.6	-175.9	-73.5	178	-176.7	169.1	0	111.2	C261 C264 F268	C261-K266 WeakPolarHBondContact CB-O 3.25Å; C261-K266 PolarHBondContact N-O 3.44Å; C264-K266 PolarHBondContact O-N 2.7Å; K266-F268 HydrophobicContact CB-CE2 3.78Å; K266-F268 HydrophobicContact CB-CZ 3.99Å; K266-F268 WeakPolarHBondContact O-CD2 3.39Å; K266-F268 WeakPolarHBondContact O-CE2 3.37Å
267	S	77.6	Confident	75.2	Confident	46 Å²	46	75 Å²	75	32%	0.322	41%	0.405	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	138.5	-177.5	-58.7	0	0	0	0	112.7	R257 Y259 G265	R257-S267 VanDerWaalsContact CB-CB 3.43Å; R257-S267 WeakPolarHBondContact CD-O 3.32Å; R257-S267 PolarHBondContact NE-O 3.19Å; Y259-S267 CarbonylContact O-C 3.54Å; Y259-S267 WeakPolarHBondContact O-CA 3.24Å; G265-S267 PolarHBondContact O-N 3.1Å
268	F	75.4	Confident	75	Confident	44 Å²	44	69.8 Å²	69.8	19%	0.193	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.2	149.1	-172.9	-61	-92.6	0	0	0	111.9	R257 Y259 C261 K266 S270 L274 H277	R257-F268 CarbonylContact C-O 3.6Å; R257-F268 WeakPolarHBondContact CA-O 3.16Å; Y259-F268 PolarHBondContact N-O 3.08Å; Y259-F268 PolarHBondContact O-N 3.15Å; C261-F268 HydrophobicContact CB-CE2 4.4Å; K266-F268 HydrophobicContact CB-CE2 3.78Å; K266-F268 HydrophobicContact CB-CZ 3.99Å; K266-F268 WeakPolarHBondContact O-CD2 3.39Å; K266-F268 WeakPolarHBondContact O-CE2 3.37Å; F268-S270 VanDerWaalsContact C-N 3.3Å; F268-S270 PolarHBondContact O-N 3.23Å; F268-L274 HydrophobicContact CB-CB 4.4Å; F268-L274 HydrophobicContact CD2-CB 4.21Å; F268-L274 HydrophobicContact CD2-CD1 3.61Å; F268-L274 HydrophobicContact CE2-CD1 3.93Å; F268-L274 HydrophobicContact CG-CB 4.45Å; F268-H277 HydrophobicContact CE1-CB 3.81Å; F268-H277 HydrophobicContact CE2-CB 3.85Å; F268-H277 AromaticContact CE2-CD2 3.23Å; F268-H277 WeakPolarHBondContact CE2-CD2 3.09Å; F268-H277 AromaticContact CE2-CG 3.49Å; F268-H277 VanDerWaalsContact CE2-CG 3.49Å; F268-H277 AromaticContact CE2-NE2 3.8Å; F268-H277 HydrophobicContact CZ-CB 3.39Å; F268-H277 AromaticContact CZ-CD2 3.38Å; F268-H277 WeakPolarHBondContact CZ-CD2 3.11Å; F268-H277 AromaticContact CZ-CE1 3.96Å; F268-H277 AromaticContact CZ-CG 3.11Å; F268-H277 AromaticContact CZ-ND1 3.54Å; F268-H277 AromaticContact CZ-NE2 3.86Å
269	K	71.4	Confident	74.8	Confident	126 Å²	126	71.7 Å²	71.7	55%	0.548	39%	0.389	S	S	.	.	S	Bend	trans	-73.2	-17.4	177.4	63.1	-177.4	177.5	-176.6	0	114.1	R251	R251-K269 PolarHBondContact NH1-O 3.36Å
270	S	74.4	Confident	74.2	Confident	36 Å²	36	71.4 Å²	71.4	25%	0.252	39%	0.391	S	S	.	.	S	Bend	trans	-144	148.1	-178.6	85.4	0	0	0	0	112.8	Y259 F268 S272 S273 L274	Y259-S270 VanDerWaalsContact CD2-CA 3.48Å; F268-S270 VanDerWaalsContact C-N 3.3Å; F268-S270 PolarHBondContact O-N 3.23Å; S270-S272 VanDerWaalsContact C-N 3.29Å; S270-S272 PolarHBondContact O-N 3.27Å; S270-S273 WeakPolarHBondContact O-CB 3.4Å; S270-S273 PolarHBondContact O-N 3.47Å; S270-S273 WeakPolarHBondContact OG-CB 3.49Å; S270-S273 PolarHBondContact OG-N 3.1Å; S270-S273 VanDerWaalsContact OG-N 3.14Å; S270-S273 PolarHBondContact OG-OG 2.73Å; S270-L274 PolarHBondContact O-N 3.37Å; S270-L274 VanDerWaalsContact O-N 3.1Å
271	Q	74.8	Confident	73.9	Confident	84 Å²	84	71.3 Å²	71.3	39%	0.393	38%	0.383	S	S	.	.	H	α-helix	trans	-61.4	-36.8	176.4	-176.7	64.2	0.3	0	0	112	Y259 S273 L274 L275	Y259-Q271 HydrophobicContact CD1-CB 3.98Å; Y259-Q271 VanDerWaalsContact CD2-N 3.33Å; Y259-Q271 HydrophobicContact CE1-CB 3.76Å; Y259-Q271 HydrophobicContact CE1-CG 4.46Å; Y259-Q271 HydrophobicContact CE2-CB 4.41Å; Y259-Q271 HydrophobicContact CG-CB 4.4Å; Q271-S273 VanDerWaalsContact C-N 3.3Å; Q271-S273 PolarHBondContact O-N 3.08Å; Q271-L274 PolarHBondContact O-N 3.34Å; Q271-L275 HydrophobicContact CG-CD1 4.19Å; Q271-L275 HydrophobicContact CG-CG 4.36Å; Q271-L275 WeakPolarHBondContact O-CG 3.45Å; Q271-L275 PolarHBondContact O-N 3.49Å
272	S	75.7	Confident	73.2	Confident	86 Å²	86	74.9 Å²	74.9	60%	0.601	41%	0.405	S	S	*	.	H	α-helix	trans	-62.4	-39.6	176.8	-50.2	0	0	0	0	111.7	S270 L275 V276	S270-S272 VanDerWaalsContact C-N 3.29Å; S270-S272 PolarHBondContact O-N 3.27Å; S272-L275 PolarHBondContact O-N 2.83Å; S272-V276 WeakPolarHBondContact O-CB 3.32Å; S272-V276 VanDerWaalsContact O-CG2 3.27Å; S272-V276 WeakPolarHBondContact O-CG2 3.14Å; S272-V276 PolarHBondContact O-N 2.9Å
273	S	77.6	Confident	72.2	Confident	42 Å²	42	73 Å²	73	29%	0.294	41%	0.405	S	S	.	.	H	α-helix	trans	-66.1	-40.7	174.4	-56	0	0	0	0	111.9	S270 Q271 V276 H277	S270-S273 WeakPolarHBondContact O-CB 3.4Å; S270-S273 PolarHBondContact O-N 3.47Å; S270-S273 WeakPolarHBondContact OG-CB 3.49Å; S270-S273 PolarHBondContact OG-N 3.1Å; S270-S273 VanDerWaalsContact OG-N 3.14Å; S270-S273 PolarHBondContact OG-OG 2.73Å; Q271-S273 VanDerWaalsContact C-N 3.3Å; Q271-S273 PolarHBondContact O-N 3.08Å; S273-V276 PolarHBondContact O-N 3.13Å; S273-H277 WeakPolarHBondContact O-CB 3.33Å; S273-H277 PolarHBondContact O-N 2.86Å
274	L	79.1	Confident	71.6	Confident	16 Å²	16	77.2 Å²	77.2	8%	0.084	42%	0.415	C	S	.	.	H	α-helix	trans	-62.7	-46.7	174.5	179.9	67.5	0	0	0	111.4	C261 F268 S270 Q271 V276 H277 M278	C261-L274 HydrophobicContact CB-CD1 3.85Å; F268-L274 HydrophobicContact CB-CB 4.4Å; F268-L274 HydrophobicContact CD2-CB 4.21Å; F268-L274 HydrophobicContact CD2-CD1 3.61Å; F268-L274 HydrophobicContact CE2-CD1 3.93Å; F268-L274 HydrophobicContact CG-CB 4.45Å; S270-L274 PolarHBondContact O-N 3.37Å; S270-L274 VanDerWaalsContact O-N 3.1Å; Q271-L274 PolarHBondContact O-N 3.34Å; L274-V276 VanDerWaalsContact C-N 3.32Å; L274-V276 PolarHBondContact O-N 3.37Å; L274-H277 CarbonylContact O-C 3.5Å; L274-H277 WeakPolarHBondContact O-CA 3.36Å; L274-H277 WeakPolarHBondContact O-CB 3.36Å; L274-H277 PolarHBondContact O-N 3.24Å; L274-H277 VanDerWaalsContact O-N 3.07Å; L274-M278 HydrophobicContact CD1-CE 3.7Å; L274-M278 HydrophobicContact CD1-CG 4.34Å; L274-M278 HydrophobicContact CD2-CE 4.48Å; L274-M278 HydrophobicContact CG-CE 4.18Å; L274-M278 HydrophobicContact CG-CG 4.26Å; L274-M278 VanDerWaalsContact O-CG 3.28Å; L274-M278 WeakPolarHBondContact O-CG 3.5Å; L274-M278 PolarHBondContact O-N 3.33Å
275	L	75.8	Confident	70.7	Confident	97 Å²	97	82.7 Å²	82.7	51%	0.508	43%	0.433	S	S	.	.	H	α-helix	trans	-61.9	-39.2	178.7	-72.8	172.4	0	0	0	112.3	Q271 S272 H277 M278 K279	Q271-L275 HydrophobicContact CG-CD1 4.19Å; Q271-L275 HydrophobicContact CG-CG 4.36Å; Q271-L275 WeakPolarHBondContact O-CG 3.45Å; Q271-L275 PolarHBondContact O-N 3.49Å; S272-L275 PolarHBondContact O-N 2.83Å; L275-H277 VanDerWaalsContact C-N 3.33Å; L275-M278 PolarHBondContact O-N 2.72Å; L275-K279 PolarHBondContact O-N 3.42Å
276	V	71.4	Confident	70.3	Confident	65 Å²	65	82 Å²	82	39%	0.394	42%	0.417	S	S	.	.	H	α-helix	trans	-66.5	-38.1	173.4	169.2	0	0	0	0	110.9	S272 S273 L274 S297	S272-V276 WeakPolarHBondContact O-CB 3.32Å; S272-V276 VanDerWaalsContact O-CG2 3.27Å; S272-V276 WeakPolarHBondContact O-CG2 3.14Å; S272-V276 PolarHBondContact O-N 2.9Å; S273-V276 PolarHBondContact O-N 3.13Å; L274-V276 VanDerWaalsContact C-N 3.32Å; L274-V276 PolarHBondContact O-N 3.37Å; V276-S297 WeakPolarHBondContact CG1-OG 3.43Å; V276-S297 WeakPolarHBondContact O-CB 3.37Å
277	H	76.3	Confident	70.1	Confident	16 Å²	16	79 Å²	79	7%	0.074	40%	0.403	C	S	.	.	H	α-helix	trans	-69.4	-37.8	175.4	167.8	69.4	0	0	0	112.9	C261 C264 F268 S273 L274 L275 K279 M280 H281	C261-H277 WeakPolarHBondContact CB-NE2 2.97Å; C261-H277 PolarHBondContact SG-NE2 3.16Å; C261-H277 VanDerWaalsContact SG-NE2 3.42Å; C264-H277 VanDerWaalsContact SG-CE1 3.53Å; C264-H277 PolarHBondContact SG-NE2 3.08Å; F268-H277 HydrophobicContact CE1-CB 3.81Å; F268-H277 HydrophobicContact CE2-CB 3.85Å; F268-H277 AromaticContact CE2-CD2 3.23Å; F268-H277 WeakPolarHBondContact CE2-CD2 3.09Å; F268-H277 AromaticContact CE2-CG 3.49Å; F268-H277 VanDerWaalsContact CE2-CG 3.49Å; F268-H277 AromaticContact CE2-NE2 3.8Å; F268-H277 HydrophobicContact CZ-CB 3.39Å; F268-H277 AromaticContact CZ-CD2 3.38Å; F268-H277 WeakPolarHBondContact CZ-CD2 3.11Å; F268-H277 AromaticContact CZ-CE1 3.96Å; F268-H277 AromaticContact CZ-CG 3.11Å; F268-H277 AromaticContact CZ-ND1 3.54Å; F268-H277 AromaticContact CZ-NE2 3.86Å; S273-H277 WeakPolarHBondContact O-CB 3.33Å; S273-H277 PolarHBondContact O-N 2.86Å; L274-H277 CarbonylContact O-C 3.5Å; L274-H277 WeakPolarHBondContact O-CA 3.36Å; L274-H277 WeakPolarHBondContact O-CB 3.36Å; L274-H277 PolarHBondContact O-N 3.24Å; L274-H277 VanDerWaalsContact O-N 3.07Å; L275-H277 VanDerWaalsContact C-N 3.33Å; H277-K279 PolarHBondContact O-N 3.02Å; H277-M280 WeakPolarHBondContact O-CA 3.48Å; H277-M280 WeakPolarHBondContact O-CB 3.35Å; H277-M280 PolarHBondContact O-N 3.43Å; H277-H281 AromaticContact CD2-NE2 3.84Å; H277-H281 AromaticContact CE1-CE1 4Å; H277-H281 AromaticContact CE1-NE2 3.38Å; H277-H281 PolarHBondContact CE1-NE2 3.09Å; H277-H281 AromaticContact NE2-CD2 3.88Å; H277-H281 AromaticContact NE2-CE1 3.98Å; H277-H281 AromaticContact NE2-NE2 3.02Å; H277-H281 PolarHBondContact NE2-NE2 2.97Å
278	M	70.8	Confident	69.5	Low	50 Å²	50	79.5 Å²	79.5	25%	0.246	41%	0.406	C	S	.	.	H	α-helix	trans	-61.9	-27.4	178.2	-75.8	-67.7	176.5	0	0	112.8	C261 L274 L275 M280 H281 T282	C261-M278 VanDerWaalsContact CA-CE 3.41Å; C261-M278 HydrophobicContact CB-CE 3.67Å; C261-M278 WeakPolarHBondContact SG-CE 3.07Å; L274-M278 HydrophobicContact CD1-CE 3.7Å; L274-M278 HydrophobicContact CD1-CG 4.34Å; L274-M278 HydrophobicContact CD2-CE 4.48Å; L274-M278 HydrophobicContact CG-CE 4.18Å; L274-M278 HydrophobicContact CG-CG 4.26Å; L274-M278 VanDerWaalsContact O-CG 3.28Å; L274-M278 WeakPolarHBondContact O-CG 3.5Å; L274-M278 PolarHBondContact O-N 3.33Å; L275-M278 PolarHBondContact O-N 2.72Å; M278-M280 PolarHBondContact O-N 3.11Å; M278-M280 VanDerWaalsContact O-N 3.14Å; M278-H281 PolarHBondContact O-N 3.44Å; M278-T282 PolarHBondContact O-OG1 3.31Å
279	K	72.3	Confident	69.3	Low	113 Å²	113	77.5 Å²	77.5	49%	0.491	40%	0.397	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-16.7	170.6	-66.7	-179	179.1	-169.5	0	113.2	L275 H277 H281 T286	L275-K279 PolarHBondContact O-N 3.42Å; H277-K279 PolarHBondContact O-N 3.02Å; K279-H281 VanDerWaalsContact C-N 3.35Å; K279-T286 WeakPolarHBondContact O-CG2 3.23Å
280	M	66.1	Low	69.3	Low	68 Å²	68	78.1 Å²	78.1	34%	0.335	41%	0.407	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.8	-15.6	174	-62.9	-174.5	39.7	0	0	114.1	H277 M278 V295	H277-M280 WeakPolarHBondContact O-CA 3.48Å; H277-M280 WeakPolarHBondContact O-CB 3.35Å; H277-M280 PolarHBondContact O-N 3.43Å; M278-M280 PolarHBondContact O-N 3.11Å; M278-M280 VanDerWaalsContact O-N 3.14Å; M280-V295 HydrophobicContact CE-CB 3.97Å; M280-V295 HydrophobicContact CE-CG1 4.14Å; M280-V295 WeakPolarHBondContact CE-O 3.36Å; M280-V295 HydrophobicContact CG-CG1 4.42Å
281	H	68.3	Low	69	Low	67 Å²	67	85.5 Å²	85.5	31%	0.31	43%	0.429	S	S	.	.	S	Bend	trans	-101.1	-2.1	179	-59.6	-55	0	0	0	113	C261 T263 C264 H277 M278 K279	C261-H281 PolarHBondContact SG-CD2 2.99Å; C261-H281 PolarHBondContact SG-NE2 3.13Å; T263-H281 HydrophobicContact CG2-CB 4.13Å; C264-H281 VanDerWaalsContact SG-CE1 3.54Å; C264-H281 PolarHBondContact SG-NE2 2.97Å; C264-H281 VanDerWaalsContact SG-NE2 3.4Å; H277-H281 AromaticContact CD2-NE2 3.84Å; H277-H281 AromaticContact CE1-CE1 4Å; H277-H281 AromaticContact CE1-NE2 3.38Å; H277-H281 PolarHBondContact CE1-NE2 3.09Å; H277-H281 AromaticContact NE2-CD2 3.88Å; H277-H281 AromaticContact NE2-CE1 3.98Å; H277-H281 AromaticContact NE2-NE2 3.02Å; H277-H281 PolarHBondContact NE2-NE2 2.97Å; M278-H281 PolarHBondContact O-N 3.44Å; K279-H281 VanDerWaalsContact C-N 3.35Å
282	T	64.4	Low	69	Low	77 Å²	77	84.5 Å²	84.5	47%	0.472	43%	0.431	S	S	.	.	S	Bend	trans	-118.4	129.3	-178.3	45.3	0	0	0	0	107.7	M278 K284	M278-T282 PolarHBondContact O-OG1 3.31Å; T282-K284 PolarHBondContact O-N 2.82Å
283	D	55.4	Low	68.6	Low	166 Å²	166	83.2 Å²	83.2	89%	0.888	43%	0.431	S	S	*	.	S	Bend	trans	-66.3	13.4	-175.6	-64	-44.6	0	0	0	114.8
284	K	57.6	Low	68.2	Low	186 Å²	186	87 Å²	87	81%	0.809	44%	0.443	S	S	*	.	S	Bend	trans	-101.6	99.3	176.2	-78.9	-176.8	175.2	176.2	0	110.6	T282	T282-K284 PolarHBondContact O-N 2.82Å
285	K	57.1	Low	67.6	Low	166 Å²	166	88.8 Å²	88.8	72%	0.722	45%	0.454	S	S	*	.	S	Bend	trans	60.7	57.5	171.4	-74.8	-176.7	174.6	176.4	0	114.6
286	T	61.6	Low	67.5	Low	44 Å²	44	85.1 Å²	85.1	27%	0.27	43%	0.434	S	S	.	.			trans	-84.4	152.7	152.7	48.4	0	0	0	0	110	K279 V295	K279-T286 WeakPolarHBondContact O-CG2 3.23Å; T286-V295 HydrophobicContact CG2-CG1 3.86Å
287	Y	69.5	Low	67.2	Low	64 Å²	64	83.3 Å²	83.3	25%	0.251	42%	0.424	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	100.1	174.6	-62.4	-84.6	0	0	0	108.3	M296 N298 F299 Y302	Y287-M296 PolarHBondContact N-O 2.83Å; Y287-M296 PolarHBondContact O-N 3.29Å; Y287-N298 VanDerWaalsContact CD2-C 3.49Å; Y287-F299 AromaticContact CD1-CD2 3.61Å; Y287-F299 HydrophobicContact CD1-CD2 3.61Å; Y287-F299 HydrophobicContact CD1-CE2 4.36Å; Y287-F299 HydrophobicContact CD2-CB 4.24Å; Y287-F299 VanDerWaalsContact CD2-N 3.35Å; Y287-F299 HydrophobicContact CE1-CB 3.95Å; Y287-F299 AromaticContact CE1-CD2 3.21Å; Y287-F299 HydrophobicContact CE1-CD2 3.21Å; Y287-F299 HydrophobicContact CE1-CE2 4.01Å; Y287-F299 AromaticContact CE1-CG 3.93Å; Y287-F299 HydrophobicContact CE1-CG 3.93Å; Y287-F299 VanDerWaalsContact CE2-CA 3.45Å; Y287-F299 HydrophobicContact CE2-CB 3.6Å; Y287-F299 HydrophobicContact CE2-CD2 4.41Å; Y287-F299 HydrophobicContact CE2-CG 4.47Å; Y287-F299 HydrophobicContact CG-CD2 4.35Å; Y287-F299 VanDerWaalsContact CZ-CB 3.43Å; Y287-F299 AromaticContact CZ-CD2 3.67Å; Y287-F299 AromaticContact CZ-CG 3.89Å; Y287-Y302 VanDerWaalsContact CB-CG 3.4Å; Y287-Y302 HydrophobicContact CD1-CD1 4.11Å; Y287-Y302 HydrophobicContact CD1-CG 4.25Å; Y287-Y302 HydrophobicContact CG-CD1 4.37Å; Y287-Y302 HydrophobicContact CG-CG 4.06Å
288	S	63.8	Low	66.9	Low	56 Å²	56	85.1 Å²	85.1	39%	0.392	44%	0.435	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.3	177.9	48.4	0	0	0	0	110.5	D290 Y302	S288-D290 PolarHBondContact O-N 3.47Å; S288-Y302 WeakPolarHBondContact O-CE2 3.39Å
289	C	73	Confident	66.8	Low	2 Å²	2	87.8 Å²	87.8	1%	0.014	45%	0.445	C	S	.	.			trans	-81.7	111.6	167.9	-178.6	0	0	0	0	110.5	R291 C292 G293 K294 H305 M306 H309	C289-R291 PolarHBondContact O-N 3.19Å; C289-C292 PolarHBondContact O-N 3.36Å; C289-C292 VanDerWaalsContact SG-SG 3.63Å; C289-G293 VanDerWaalsContact O-CA 3.29Å; C289-G293 WeakPolarHBondContact O-CA 3.46Å; C289-G293 PolarHBondContact O-N 3.28Å; C289-K294 HydrophobicContact CB-CB 4.33Å; C289-K294 PolarHBondContact N-O 3.5Å; C289-H305 WeakPolarHBondContact CB-NE2 3.47Å; C289-M306 HydrophobicContact CB-CE 3.41Å; C289-M306 VanDerWaalsContact CB-CE 3.41Å; C289-M306 WeakPolarHBondContact SG-CE 3.5Å; C289-H309 PolarHBondContact SG-CD2 3.4Å; C289-H309 PolarHBondContact SG-NE2 3.19Å
290	D	69.9	Low	66.8	Low	140 Å²	140	90.8 Å²	90.8	75%	0.749	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.9	-28.6	-179.7	-48.8	-43.3	0	0	0	112	S288	S288-D290 PolarHBondContact O-N 3.47Å
291	R	68.8	Low	66.9	Low	190 Å²	190	91.5 Å²	91.5	72%	0.717	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	-22.7	179.7	-152.5	-179.2	-173.2	165.2	-0	115.7	C289 H309	C289-R291 PolarHBondContact O-N 3.19Å; R291-H309 PolarHBondContact NH1-O 3.38Å
292	C	73.9	Confident	67.1	Low	64 Å²	64	90.5 Å²	90.5	43%	0.432	46%	0.457	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.2	13.3	-175.7	81.5	0	0	0	0	114.1	C289 K294 H305 H309	C289-C292 PolarHBondContact O-N 3.36Å; C289-C292 VanDerWaalsContact SG-SG 3.63Å; C292-K294 PolarHBondContact O-N 3.41Å; C292-K294 VanDerWaalsContact SG-CB 3.52Å; C292-H305 VanDerWaalsContact SG-CE1 3.56Å; C292-H305 PolarHBondContact SG-NE2 3.43Å; C292-H309 PolarHBondContact SG-CE1 3.18Å; C292-H309 PolarHBondContact SG-NE2 3.42Å
293	G	68	Low	67.5	Low	59 Å²	59	93 Å²	93	61%	0.608	46%	0.461	S	S	*	.			trans	62.9	7.4	179.3	0	0	0	0	0	115.5	C289 V295	C289-G293 VanDerWaalsContact O-CA 3.29Å; C289-G293 WeakPolarHBondContact O-CA 3.46Å; C289-G293 PolarHBondContact O-N 3.28Å; G293-V295 PolarHBondContact O-N 2.6Å
294	K	69.9	Low	68.1	Low	122 Å²	122	88.9 Å²	88.9	53%	0.53	44%	0.436	S	S	.	.			trans	-79.9	114.8	-171.3	-165.1	172.3	-170.2	170.2	0	111.1	C289 C292	C289-K294 HydrophobicContact CB-CB 4.33Å; C289-K294 PolarHBondContact N-O 3.5Å; C292-K294 PolarHBondContact O-N 3.41Å; C292-K294 VanDerWaalsContact SG-CB 3.52Å
295	V	65.6	Low	68.7	Low	53 Å²	53	81 Å²	81	32%	0.321	40%	0.402	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	127.1	176.7	-175	0	0	0	0	110.3	M280 T286 G293	M280-V295 HydrophobicContact CE-CB 3.97Å; M280-V295 HydrophobicContact CE-CG1 4.14Å; M280-V295 WeakPolarHBondContact CE-O 3.36Å; M280-V295 HydrophobicContact CG-CG1 4.42Å; T286-V295 HydrophobicContact CG2-CG1 3.86Å; G293-V295 PolarHBondContact O-N 2.6Å
296	M	75.1	Confident	69.2	Low	20 Å²	20	75.4 Å²	75.4	10%	0.099	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	148.1	176	-67.5	161.9	-75.8	0	0	111.4	Y287 N298 N301 Y302 H305 M306	Y287-M296 PolarHBondContact N-O 2.83Å; Y287-M296 PolarHBondContact O-N 3.29Å; M296-N298 VanDerWaalsContact C-N 3.35Å; M296-N298 PolarHBondContact O-N 3.14Å; M296-N301 VanDerWaalsContact SD-C 3.59Å; M296-N301 HydrophobicContact SD-CB 4.29Å; M296-N301 VanDerWaalsContact SD-O 3.37Å; M296-Y302 VanDerWaalsContact CE-CA 3.44Å; M296-Y302 HydrophobicContact CE-CD2 3.47Å; M296-Y302 VanDerWaalsContact CE-CD2 3.47Å; M296-Y302 HydrophobicContact CE-CG 4.04Å; M296-Y302 VanDerWaalsContact SD-CA 3.58Å; M296-H305 HydrophobicContact CE-CB 3.66Å; M296-H305 WeakPolarHBondContact CE-CD2 3.48Å; M296-H305 HydrophobicContact SD-CB 3.33Å; M296-H305 WeakPolarHBondContact SD-CB 3.46Å; M296-M306 HydrophobicContact CE-CE 4.43Å
297	S	65	Low	69.6	Low	26 Å²	26	78.6 Å²	78.6	18%	0.182	39%	0.389	C	S	.	.	S	Bend	trans	-83.3	-5.5	-174.7	51.9	0	0	0	0	114.8	V276	V276-S297 WeakPolarHBondContact CG1-OG 3.43Å; V276-S297 WeakPolarHBondContact O-CB 3.37Å
298	N	68.1	Low	69.3	Low	55 Å²	55	77.8 Å²	77.8	29%	0.294	39%	0.391	S	S	.	.	S	Bend	trans	-151.3	141.7	-175.9	60.1	-20.9	0	0	0	113.1	Y287 M296 K300 N301 Y302	Y287-N298 VanDerWaalsContact CD2-C 3.49Å; M296-N298 VanDerWaalsContact C-N 3.35Å; M296-N298 PolarHBondContact O-N 3.14Å; N298-K300 VanDerWaalsContact C-N 3.34Å; N298-K300 PolarHBondContact O-N 3Å; N298-N301 VanDerWaalsContact CG-CG 3.42Å; N298-N301 PolarHBondContact ND2-ND2 3.33Å; N298-N301 VanDerWaalsContact ND2-ND2 3.17Å; N298-N301 PolarHBondContact ND2-OD1 3.46Å; N298-N301 PolarHBondContact O-N 2.97Å; N298-N301 WeakPolarHBondContact OD1-CB 3.38Å; N298-N301 PolarHBondContact OD1-ND2 3.46Å; N298-Y302 PolarHBondContact O-N 3.49Å
299	F	69.8	Low	69.3	Low	106 Å²	106	77 Å²	77	47%	0.465	38%	0.381	S	S	.	.	H	α-helix	trans	-60.4	-38.8	-175.9	-172.2	-126	0	0	0	113.7	Y287 N301 Y302 K303	Y287-F299 AromaticContact CD1-CD2 3.61Å; Y287-F299 HydrophobicContact CD1-CD2 3.61Å; Y287-F299 HydrophobicContact CD1-CE2 4.36Å; Y287-F299 HydrophobicContact CD2-CB 4.24Å; Y287-F299 VanDerWaalsContact CD2-N 3.35Å; Y287-F299 HydrophobicContact CE1-CB 3.95Å; Y287-F299 AromaticContact CE1-CD2 3.21Å; Y287-F299 HydrophobicContact CE1-CD2 3.21Å; Y287-F299 HydrophobicContact CE1-CE2 4.01Å; Y287-F299 AromaticContact CE1-CG 3.93Å; Y287-F299 HydrophobicContact CE1-CG 3.93Å; Y287-F299 VanDerWaalsContact CE2-CA 3.45Å; Y287-F299 HydrophobicContact CE2-CB 3.6Å; Y287-F299 HydrophobicContact CE2-CD2 4.41Å; Y287-F299 HydrophobicContact CE2-CG 4.47Å; Y287-F299 HydrophobicContact CG-CD2 4.35Å; Y287-F299 VanDerWaalsContact CZ-CB 3.43Å; Y287-F299 AromaticContact CZ-CD2 3.67Å; Y287-F299 AromaticContact CZ-CG 3.89Å; F299-N301 VanDerWaalsContact C-N 3.33Å; F299-N301 PolarHBondContact O-N 3.04Å; F299-Y302 HydrophobicContact CD2-CD1 4.08Å; F299-Y302 HydrophobicContact CE2-CD1 4.14Å; F299-Y302 PolarHBondContact O-N 3.1Å; F299-K303 WeakPolarHBondContact O-CB 3.29Å; F299-K303 PolarHBondContact O-N 2.92Å
300	K	71.4	Confident	68.8	Low	175 Å²	175	80.4 Å²	80.4	76%	0.761	40%	0.401	S	S	*	.	H	α-helix	trans	-61.8	-41.8	179.5	-72	-172.7	178.3	-175.8	0	111.6	N298 Y302 F304	N298-K300 VanDerWaalsContact C-N 3.34Å; N298-K300 PolarHBondContact O-N 3Å; K300-Y302 VanDerWaalsContact C-N 3.35Å; K300-F304 WeakPolarHBondContact O-CB 3.32Å; K300-F304 PolarHBondContact O-N 3.43Å
301	N	69	Low	68.1	Low	83 Å²	83	80.2 Å²	80.2	44%	0.444	41%	0.405	S	S	.	.	H	α-helix	trans	-73.3	-32.9	176.8	-61.4	1.2	0	0	0	110.8	M296 N298 F299 F304 H305	M296-N301 VanDerWaalsContact SD-C 3.59Å; M296-N301 HydrophobicContact SD-CB 4.29Å; M296-N301 VanDerWaalsContact SD-O 3.37Å; N298-N301 VanDerWaalsContact CG-CG 3.42Å; N298-N301 PolarHBondContact ND2-ND2 3.33Å; N298-N301 VanDerWaalsContact ND2-ND2 3.17Å; N298-N301 PolarHBondContact ND2-OD1 3.46Å; N298-N301 PolarHBondContact O-N 2.97Å; N298-N301 WeakPolarHBondContact OD1-CB 3.38Å; N298-N301 PolarHBondContact OD1-ND2 3.46Å; F299-N301 VanDerWaalsContact C-N 3.33Å; F299-N301 PolarHBondContact O-N 3.04Å; N301-F304 PolarHBondContact O-N 2.9Å; N301-H305 WeakPolarHBondContact O-CB 3.36Å; N301-H305 PolarHBondContact O-N 3.4Å
302	Y	73.3	Confident	67.6	Low	47 Å²	47	73.5 Å²	73.5	18%	0.184	39%	0.39	C	S	.	.	H	α-helix	trans	-62.6	-51.3	172.7	169.8	-97.5	0	0	0	112.7	Y287 S288 M296 N298 F299 K300 F304 H305 M306	Y287-Y302 VanDerWaalsContact CB-CG 3.4Å; Y287-Y302 HydrophobicContact CD1-CD1 4.11Å; Y287-Y302 HydrophobicContact CD1-CG 4.25Å; Y287-Y302 HydrophobicContact CG-CD1 4.37Å; Y287-Y302 HydrophobicContact CG-CG 4.06Å; S288-Y302 WeakPolarHBondContact O-CE2 3.39Å; M296-Y302 VanDerWaalsContact CE-CA 3.44Å; M296-Y302 HydrophobicContact CE-CD2 3.47Å; M296-Y302 VanDerWaalsContact CE-CD2 3.47Å; M296-Y302 HydrophobicContact CE-CG 4.04Å; M296-Y302 VanDerWaalsContact SD-CA 3.58Å; N298-Y302 PolarHBondContact O-N 3.49Å; F299-Y302 HydrophobicContact CD2-CD1 4.08Å; F299-Y302 HydrophobicContact CE2-CD1 4.14Å; F299-Y302 PolarHBondContact O-N 3.1Å; K300-Y302 VanDerWaalsContact C-N 3.35Å; Y302-F304 PolarHBondContact O-N 3.22Å; Y302-H305 CarbonylContact O-C 3.5Å; Y302-H305 PolarHBondContact O-N 3.22Å; Y302-M306 HydrophobicContact CD1-CG 4.17Å; Y302-M306 HydrophobicContact CD2-CE 3.58Å; Y302-M306 HydrophobicContact CD2-CG 4.31Å; Y302-M306 HydrophobicContact CD2-SD 4.37Å; Y302-M306 HydrophobicContact CE1-CG 3.77Å; Y302-M306 HydrophobicContact CE1-SD 4.37Å; Y302-M306 HydrophobicContact CE2-CE 3.25Å; Y302-M306 HydrophobicContact CE2-CG 3.92Å; Y302-M306 HydrophobicContact CE2-SD 3.61Å; Y302-M306 HydrophobicContact CG-CE 4.45Å; Y302-M306 HydrophobicContact CG-CG 4.43Å; Y302-M306 WeakPolarHBondContact O-CG 3.48Å; Y302-M306 PolarHBondContact O-N 3.48Å
303	K	72.1	Confident	66.8	Low	128 Å²	128	76 Å²	76	56%	0.557	39%	0.394	S	S	*	.	H	α-helix	trans	-57.8	-37.7	174.8	-169.3	171.9	-175.3	172.2	0	111.4	F299 K307	F299-K303 WeakPolarHBondContact O-CB 3.29Å; F299-K303 PolarHBondContact O-N 2.92Å; K303-K307 WeakPolarHBondContact O-CG 3.41Å; K303-K307 PolarHBondContact O-N 3.18Å
304	F	67.3	Low	66.5	Low	81 Å²	81	77.3 Å²	77.3	36%	0.355	39%	0.39	S	S	.	.	H	α-helix	trans	-68.2	-40.4	173.8	-179	-109.1	0	0	0	113	K300 N301 Y302 K307 E326	K300-F304 WeakPolarHBondContact O-CB 3.32Å; K300-F304 PolarHBondContact O-N 3.43Å; N301-F304 PolarHBondContact O-N 2.9Å; Y302-F304 PolarHBondContact O-N 3.22Å; F304-K307 WeakPolarHBondContact O-CB 3.34Å; F304-K307 PolarHBondContact O-N 3.07Å; F304-E326 HydrophobicContact CD2-CG 4.49Å; F304-E326 VanDerWaalsContact CD2-OE1 3.22Å; F304-E326 WeakPolarHBondContact CD2-OE1 3.19Å; F304-E326 VanDerWaalsContact CE2-CD 3.48Å; F304-E326 HydrophobicContact CE2-CG 3.61Å; F304-E326 WeakPolarHBondContact CE2-OE1 3.49Å; F304-E326 HydrophobicContact CZ-CG 4.35Å
305	H	71.6	Confident	66.3	Low	21 Å²	21	74.9 Å²	74.9	10%	0.097	38%	0.38	C	S	.	.	H	α-helix	trans	-71.2	-35.4	177.8	175	59.4	0	0	0	112.5	C289 C292 M296 N301 Y302 K307 T308 H309	C289-H305 WeakPolarHBondContact CB-NE2 3.47Å; C292-H305 VanDerWaalsContact SG-CE1 3.56Å; C292-H305 PolarHBondContact SG-NE2 3.43Å; M296-H305 HydrophobicContact CE-CB 3.66Å; M296-H305 WeakPolarHBondContact CE-CD2 3.48Å; M296-H305 HydrophobicContact SD-CB 3.33Å; M296-H305 WeakPolarHBondContact SD-CB 3.46Å; N301-H305 WeakPolarHBondContact O-CB 3.36Å; N301-H305 PolarHBondContact O-N 3.4Å; Y302-H305 CarbonylContact O-C 3.5Å; Y302-H305 PolarHBondContact O-N 3.22Å; H305-K307 PolarHBondContact O-N 3.36Å; H305-T308 PolarHBondContact ND1-OG1 3.02Å; H305-T308 WeakPolarHBondContact O-CA 3.25Å; H305-T308 WeakPolarHBondContact O-CB 3.41Å; H305-T308 PolarHBondContact O-N 3.49Å; H305-T308 PolarHBondContact O-OG1 3.14Å; H305-H309 AromaticContact CD2-NE2 3.81Å; H305-H309 AromaticContact CE1-CE1 3.86Å; H305-H309 AromaticContact CE1-NE2 3.14Å; H305-H309 PolarHBondContact CE1-NE2 3.4Å; H305-H309 AromaticContact NE2-CD2 3.8Å; H305-H309 AromaticContact NE2-NE2 2.99Å; H305-H309 PolarHBondContact NE2-NE2 2.83Å
306	M	67.7	Low	66.4	Low	48 Å²	48	77.7 Å²	77.7	24%	0.236	39%	0.388	C	S	.	.	H	α-helix	trans	-56.6	-36.8	171.2	-70	-50.3	97.3	0	0	111.2	C289 M296 Y302 T308 H309 T310	C289-M306 HydrophobicContact CB-CE 3.41Å; C289-M306 VanDerWaalsContact CB-CE 3.41Å; C289-M306 WeakPolarHBondContact SG-CE 3.5Å; M296-M306 HydrophobicContact CE-CE 4.43Å; Y302-M306 HydrophobicContact CD1-CG 4.17Å; Y302-M306 HydrophobicContact CD2-CE 3.58Å; Y302-M306 HydrophobicContact CD2-CG 4.31Å; Y302-M306 HydrophobicContact CD2-SD 4.37Å; Y302-M306 HydrophobicContact CE1-CG 3.77Å; Y302-M306 HydrophobicContact CE1-SD 4.37Å; Y302-M306 HydrophobicContact CE2-CE 3.25Å; Y302-M306 HydrophobicContact CE2-CG 3.92Å; Y302-M306 HydrophobicContact CE2-SD 3.61Å; Y302-M306 HydrophobicContact CG-CE 4.45Å; Y302-M306 HydrophobicContact CG-CG 4.43Å; Y302-M306 WeakPolarHBondContact O-CG 3.48Å; Y302-M306 PolarHBondContact O-N 3.48Å; M306-T308 PolarHBondContact O-N 3.03Å; M306-T308 VanDerWaalsContact O-N 3.15Å; M306-H309 PolarHBondContact O-N 2.75Å; M306-T310 PolarHBondContact O-N 2.85Å
307	K	68.7	Low	66.5	Low	110 Å²	110	76.8 Å²	76.8	48%	0.478	38%	0.383	S	S	.	.	H	α-helix	trans	-65.6	-12.9	173.5	-65.5	-179.1	177.1	-165.5	0	114.5	K303 F304 H305 T310	K303-K307 WeakPolarHBondContact O-CG 3.41Å; K303-K307 PolarHBondContact O-N 3.18Å; F304-K307 WeakPolarHBondContact O-CB 3.34Å; F304-K307 PolarHBondContact O-N 3.07Å; H305-K307 PolarHBondContact O-N 3.36Å; K307-T310 VanDerWaalsContact CA-OG1 3.29Å; K307-T310 WeakPolarHBondContact CA-OG1 3.27Å; K307-T310 PolarHBondContact O-OG1 3.31Å
308	T	63.2	Low	66.9	Low	47 Å²	47	82.4 Å²	82.4	29%	0.288	41%	0.411	S	S	.	.	H	α-helix	trans	-83.5	-21	173.6	68.1	0	0	0	0	113	H305 M306	H305-T308 PolarHBondContact ND1-OG1 3.02Å; H305-T308 WeakPolarHBondContact O-CA 3.25Å; H305-T308 WeakPolarHBondContact O-CB 3.41Å; H305-T308 PolarHBondContact O-N 3.49Å; H305-T308 PolarHBondContact O-OG1 3.14Å; M306-T308 PolarHBondContact O-N 3.03Å; M306-T308 VanDerWaalsContact O-N 3.15Å
309	H	64.4	Low	67	Low	40 Å²	40	84.5 Å²	84.5	19%	0.185	43%	0.426	C	S	.	.	H	α-helix	trans	-91.3	-29.7	176.9	-66.6	-55.8	0	0	0	112.8	C289 R291 C292 H305 M306 V311	C289-H309 PolarHBondContact SG-CD2 3.4Å; C289-H309 PolarHBondContact SG-NE2 3.19Å; R291-H309 PolarHBondContact NH1-O 3.38Å; C292-H309 PolarHBondContact SG-CE1 3.18Å; C292-H309 PolarHBondContact SG-NE2 3.42Å; H305-H309 AromaticContact CD2-NE2 3.81Å; H305-H309 AromaticContact CE1-CE1 3.86Å; H305-H309 AromaticContact CE1-NE2 3.14Å; H305-H309 PolarHBondContact CE1-NE2 3.4Å; H305-H309 AromaticContact NE2-CD2 3.8Å; H305-H309 AromaticContact NE2-NE2 2.99Å; H305-H309 PolarHBondContact NE2-NE2 2.83Å; M306-H309 PolarHBondContact O-N 2.75Å; H309-V311 PolarHBondContact O-N 3.25Å
310	T	62.4	Low	67.2	Low	73 Å²	73	82 Å²	82	45%	0.448	42%	0.421	S	S	.	.	S	Bend	trans	-72.1	116.7	161.2	58.3	0	0	0	0	106.9	M306 K307 A312	M306-T310 PolarHBondContact O-N 2.85Å; K307-T310 VanDerWaalsContact CA-OG1 3.29Å; K307-T310 WeakPolarHBondContact CA-OG1 3.27Å; K307-T310 PolarHBondContact O-OG1 3.31Å; T310-A312 PolarHBondContact O-N 3.42Å
311	V	55.6	Low	67.1	Low	136 Å²	136	75.5 Å²	75.5	82%	0.824	40%	0.404	S	S	*	.			trans	-64.4	10.3	176.4	-168.9	0	0	0	0	112.2	H309 K313	H309-V311 PolarHBondContact O-N 3.25Å; V311-K313 PolarHBondContact O-N 3.43Å
312	A	58	Low	67.2	Low	49 Å²	49	77.7 Å²	77.7	41%	0.405	41%	0.409	S	S	.	.			trans	-71.1	69.1	175.2	0	0	0	0	0	111.2	T310 T314	T310-A312 PolarHBondContact O-N 3.42Å; A312-T314 HydrophobicContact CB-CG2 3.7Å; A312-T314 PolarHBondContact O-N 2.92Å; A312-T314 PolarHBondContact O-OG1 3.09Å
313	K	56.5	Low	66.9	Low	117 Å²	117	79.2 Å²	79.2	51%	0.509	42%	0.419	S	S	.	.			trans	-44.8	78	136.9	-99.1	170.7	172.2	-177.4	0	107.8	V311 M323	V311-K313 PolarHBondContact O-N 3.43Å; K313-M323 HydrophobicContact CB-CB 3.66Å; K313-M323 HydrophobicContact CB-CE 4.21Å; K313-M323 HydrophobicContact CB-CG 4.32Å; K313-M323 HydrophobicContact CD-CB 3.55Å; K313-M323 HydrophobicContact CD-CG 4.24Å; K313-M323 HydrophobicContact CG-CB 3.56Å; K313-M323 WeakPolarHBondContact O-CE 3.49Å
314	T	61.9	Low	66.9	Low	86 Å²	86	75 Å²	75	53%	0.528	40%	0.401	S	S	.	.			trans	-81.7	-28.6	-166.7	26.5	0	0	0	0	112.1	A312 F324	A312-T314 HydrophobicContact CB-CG2 3.7Å; A312-T314 PolarHBondContact O-N 2.92Å; A312-T314 PolarHBondContact O-OG1 3.09Å; T314-F324 PolarHBondContact N-O 3.3Å
315	F	66.5	Low	66.8	Low	71 Å²	71	78 Å²	78	31%	0.311	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106	94	-171.6	-63.2	-75.9	0	0	0	109.4	F324 E326 S327 L330	F315-F324 HydrophobicContact CB-CB 4.26Å; F315-F324 PolarHBondContact N-O 3.39Å; F315-F324 PolarHBondContact O-N 3.13Å; F315-E326 VanDerWaalsContact CD2-C 3.45Å; F315-S327 VanDerWaalsContact CD2-N 3.28Å; F315-L330 HydrophobicContact CB-CB 3.9Å; F315-L330 HydrophobicContact CB-CD2 3.71Å; F315-L330 HydrophobicContact CB-CG 4.37Å; F315-L330 HydrophobicContact CD1-CD2 4.44Å
316	K	67.6	Low	66.6	Low	113 Å²	113	80.3 Å²	80.3	49%	0.491	42%	0.421	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.1	137.8	173.5	-173.6	174.9	175.1	-167.8	0	109.6	M323 L330	K316-M323 WeakPolarHBondContact CA-SD 3.32Å; K316-M323 HydrophobicContact CB-CE 4.18Å; K316-M323 HydrophobicContact CB-SD 3.35Å; K316-M323 WeakPolarHBondContact CB-SD 3.4Å; K316-M323 HydrophobicContact CD-SD 4.09Å; K316-M323 HydrophobicContact CG-SD 3.48Å; K316-M323 WeakPolarHBondContact CG-SD 3.46Å; K316-L330 WeakPolarHBondContact O-CD2 3.23Å
317	C	76.6	Confident	66.9	Low	0 Å²	0	80.5 Å²	80.5	0%	0	43%	0.427	C	S	.	.			trans	-85	116.3	163.5	177.6	0	0	0	0	108.8	T319 C320 G321 K322 F324 L330 H333 H337	C317-T319 PolarHBondContact O-N 3.09Å; C317-C320 PolarHBondContact O-N 2.95Å; C317-G321 WeakPolarHBondContact O-CA 3.27Å; C317-G321 PolarHBondContact O-N 3.44Å; C317-K322 HydrophobicContact CB-CB 4.47Å; C317-K322 WeakPolarHBondContact CB-O 3.38Å; C317-K322 PolarHBondContact N-O 2.85Å; C317-F324 HydrophobicContact CB-CE2 4.02Å; C317-L330 HydrophobicContact CB-CD1 3.64Å; C317-H333 VanDerWaalsContact SG-CD2 3.53Å; C317-H333 PolarHBondContact SG-NE2 2.82Å; C317-H337 PolarHBondContact SG-CD2 3.04Å; C317-H337 PolarHBondContact SG-NE2 3.3Å
318	D	72.9	Confident	67.1	Low	144 Å²	144	83.2 Å²	83.2	77%	0.77	43%	0.434	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.7	-26.5	-176.8	-58.3	-41.6	0	0	0	112.4
319	T	70.6	Confident	67.6	Low	100 Å²	100	83.8 Å²	83.8	61%	0.613	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-28.9	-179.8	-39.1	0	0	0	0	114.2	C317 H337	C317-T319 PolarHBondContact O-N 3.09Å; T319-H337 HydrophobicContact CG2-CB 4.03Å
320	C	75	Confident	68.2	Low	54 Å²	54	82.8 Å²	82.8	37%	0.365	43%	0.432	S	S	.	.	T	Hydrogen-bonded Turn	trans	-138	7.8	-176.6	76.3	0	0	0	0	115.3	C317 K322 H333 H337	C317-C320 PolarHBondContact O-N 2.95Å; C320-K322 PolarHBondContact O-N 3.26Å; C320-K322 VanDerWaalsContact SG-CG 3.57Å; C320-H333 PolarHBondContact SG-NE2 3.35Å; C320-H337 PolarHBondContact SG-NE2 3.26Å
321	G	69.4	Low	68.7	Low	38 Å²	38	83.5 Å²	83.5	39%	0.392	43%	0.432	S	S	.	.			trans	66.2	3.2	179.4	0	0	0	0	0	114.9	C317 M323	C317-G321 WeakPolarHBondContact O-CA 3.27Å; C317-G321 PolarHBondContact O-N 3.44Å; G321-M323 PolarHBondContact O-N 3.2Å
322	K	69.8	Low	69.5	Low	128 Å²	128	81.2 Å²	81.2	56%	0.557	41%	0.411	S	S	*	.			trans	-68.7	134	179.8	-77.2	-177.5	-177.2	175.6	0	110.4	C317 C320 F324	C317-K322 HydrophobicContact CB-CB 4.47Å; C317-K322 WeakPolarHBondContact CB-O 3.38Å; C317-K322 PolarHBondContact N-O 2.85Å; C320-K322 PolarHBondContact O-N 3.26Å; C320-K322 VanDerWaalsContact SG-CG 3.57Å; K322-F324 HydrophobicContact CB-CE2 3.62Å; K322-F324 HydrophobicContact CB-CZ 3.85Å; K322-F324 WeakPolarHBondContact O-CD2 3.33Å; K322-F324 VanDerWaalsContact O-CE2 3.26Å; K322-F324 WeakPolarHBondContact O-CE2 3.44Å
323	M	67.1	Low	70.4	Confident	80 Å²	80	79.6 Å²	79.6	39%	0.394	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	130.9	-176	-59.8	-64.7	-94.4	0	0	111.4	K313 K316 G321	K313-M323 HydrophobicContact CB-CB 3.66Å; K313-M323 HydrophobicContact CB-CE 4.21Å; K313-M323 HydrophobicContact CB-CG 4.32Å; K313-M323 HydrophobicContact CD-CB 3.55Å; K313-M323 HydrophobicContact CD-CG 4.24Å; K313-M323 HydrophobicContact CG-CB 3.56Å; K313-M323 WeakPolarHBondContact O-CE 3.49Å; K316-M323 WeakPolarHBondContact CA-SD 3.32Å; K316-M323 HydrophobicContact CB-CE 4.18Å; K316-M323 HydrophobicContact CB-SD 3.35Å; K316-M323 WeakPolarHBondContact CB-SD 3.4Å; K316-M323 HydrophobicContact CD-SD 4.09Å; K316-M323 HydrophobicContact CG-SD 3.48Å; K316-M323 WeakPolarHBondContact CG-SD 3.46Å; G321-M323 PolarHBondContact O-N 3.2Å
324	F	72.4	Confident	71.1	Confident	39 Å²	39	76.9 Å²	76.9	17%	0.171	39%	0.386	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	151.4	-177.6	-61.3	-90.1	0	0	0	110.8	T314 F315 C317 K322 D329 L330 H333	T314-F324 PolarHBondContact N-O 3.3Å; F315-F324 HydrophobicContact CB-CB 4.26Å; F315-F324 PolarHBondContact N-O 3.39Å; F315-F324 PolarHBondContact O-N 3.13Å; C317-F324 HydrophobicContact CB-CE2 4.02Å; K322-F324 HydrophobicContact CB-CE2 3.62Å; K322-F324 HydrophobicContact CB-CZ 3.85Å; K322-F324 WeakPolarHBondContact O-CD2 3.33Å; K322-F324 VanDerWaalsContact O-CE2 3.26Å; K322-F324 WeakPolarHBondContact O-CE2 3.44Å; F324-D329 HydrophobicContact CB-CB 4.39Å; F324-D329 HydrophobicContact CD1-CB 4.03Å; F324-L330 HydrophobicContact CB-CB 4.06Å; F324-L330 HydrophobicContact CD2-CB 4.05Å; F324-L330 HydrophobicContact CD2-CD1 3.64Å; F324-L330 HydrophobicContact CD2-CG 4.45Å; F324-L330 HydrophobicContact CE2-CD1 3.97Å; F324-L330 HydrophobicContact CG-CB 4.12Å; F324-H333 HydrophobicContact CD1-CB 4.45Å; F324-H333 HydrophobicContact CE1-CB 3.65Å; F324-H333 AromaticContact CE1-CG 3.85Å; F324-H333 HydrophobicContact CE2-CB 3.9Å; F324-H333 AromaticContact CE2-CD2 3.2Å; F324-H333 WeakPolarHBondContact CE2-CD2 3.46Å; F324-H333 AromaticContact CE2-CG 3.53Å; F324-H333 AromaticContact CE2-NE2 3.82Å; F324-H333 HydrophobicContact CZ-CB 3.36Å; F324-H333 AromaticContact CZ-CD2 3.26Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.39Å; F324-H333 AromaticContact CZ-CE1 3.96Å; F324-H333 AromaticContact CZ-CG 3.06Å; F324-H333 AromaticContact CZ-ND1 3.55Å; F324-H333 AromaticContact CZ-NE2 3.8Å
325	R	65.9	Low	71.6	Confident	145 Å²	145	74.6 Å²	74.6	55%	0.547	37%	0.372	S	S	.	.	S	Bend	trans	-84.2	-23.7	179.3	-62.9	-178.7	-178.7	178.4	-1.7	112.2
326	E	67.2	Low	71.7	Confident	68 Å²	68	76 Å²	76	32%	0.318	38%	0.382	S	S	.	.	S	Bend	trans	-130.7	144.3	-179.6	-60	-167	148.7	0	0	111.1	F304 F315 W328 D329 L330	F304-E326 HydrophobicContact CD2-CG 4.49Å; F304-E326 VanDerWaalsContact CD2-OE1 3.22Å; F304-E326 WeakPolarHBondContact CD2-OE1 3.19Å; F304-E326 VanDerWaalsContact CE2-CD 3.48Å; F304-E326 HydrophobicContact CE2-CG 3.61Å; F304-E326 WeakPolarHBondContact CE2-OE1 3.49Å; F304-E326 HydrophobicContact CZ-CG 4.35Å; F315-E326 VanDerWaalsContact CD2-C 3.45Å; E326-W328 VanDerWaalsContact C-N 3.25Å; E326-W328 PolarHBondContact O-N 2.83Å; E326-D329 HydrophobicContact CB-CB 4.31Å; E326-D329 PolarHBondContact O-N 2.81Å; E326-D329 VanDerWaalsContact O-N 3.15Å; E326-L330 PolarHBondContact O-N 3.26Å
327	S	72.4	Confident	71.6	Confident	53 Å²	53	73.8 Å²	73.8	37%	0.371	37%	0.373	S	S	.	.	H	α-helix	trans	-58.6	-36.5	171.6	169.8	0	0	0	0	112	F315 D329 L330 N331	F315-S327 VanDerWaalsContact CD2-N 3.28Å; S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 PolarHBondContact O-N 2.8Å; S327-L330 PolarHBondContact O-N 3.12Å; S327-N331 WeakPolarHBondContact O-CB 3.19Å; S327-N331 PolarHBondContact O-N 2.96Å
328	W	73.2	Confident	71	Confident	166 Å²	166	75.9 Å²	75.9	63%	0.629	39%	0.388	S	S	*	.	H	α-helix	trans	-65.2	-35.7	176.4	177.5	-114.5	0	0	0	113	E326 K332	E326-W328 VanDerWaalsContact C-N 3.25Å; E326-W328 PolarHBondContact O-N 2.83Å; W328-K332 VanDerWaalsContact CE2-CE 3.44Å; W328-K332 WeakPolarHBondContact O-CG 3.28Å; W328-K332 PolarHBondContact O-N 3.49Å
329	D	75.1	Confident	70.4	Confident	60 Å²	60	73.8 Å²	73.8	32%	0.321	39%	0.39	S	S	.	.	H	α-helix	trans	-73.7	-37.2	175.6	-71.3	-32.9	0	0	0	111.7	F324 E326 S327 K332 H333	F324-D329 HydrophobicContact CB-CB 4.39Å; F324-D329 HydrophobicContact CD1-CB 4.03Å; E326-D329 HydrophobicContact CB-CB 4.31Å; E326-D329 PolarHBondContact O-N 2.81Å; E326-D329 VanDerWaalsContact O-N 3.15Å; S327-D329 VanDerWaalsContact C-N 3.33Å; S327-D329 PolarHBondContact O-N 2.8Å; D329-K332 IonicContact OD1-NZ 3.71Å; D329-H333 WeakPolarHBondContact O-CB 3.41Å; D329-H333 PolarHBondContact O-N 3.05Å
330	L	75	Confident	70.1	Confident	19 Å²	19	76.2 Å²	76.2	10%	0.099	40%	0.395	C	S	.	.	H	α-helix	trans	-60.4	-50.5	168.6	175.2	62.3	0	0	0	110.3	F315 K316 C317 F324 E326 S327 K332 H333 L334	F315-L330 HydrophobicContact CB-CB 3.9Å; F315-L330 HydrophobicContact CB-CD2 3.71Å; F315-L330 HydrophobicContact CB-CG 4.37Å; F315-L330 HydrophobicContact CD1-CD2 4.44Å; K316-L330 WeakPolarHBondContact O-CD2 3.23Å; C317-L330 HydrophobicContact CB-CD1 3.64Å; F324-L330 HydrophobicContact CB-CB 4.06Å; F324-L330 HydrophobicContact CD2-CB 4.05Å; F324-L330 HydrophobicContact CD2-CD1 3.64Å; F324-L330 HydrophobicContact CD2-CG 4.45Å; F324-L330 HydrophobicContact CE2-CD1 3.97Å; F324-L330 HydrophobicContact CG-CB 4.12Å; E326-L330 PolarHBondContact O-N 3.26Å; S327-L330 PolarHBondContact O-N 3.12Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.4Å; L330-H333 CarbonylContact O-C 3.56Å; L330-H333 VanDerWaalsContact O-CA 3.31Å; L330-H333 WeakPolarHBondContact O-CA 3.46Å; L330-H333 VanDerWaalsContact O-CB 3.29Å; L330-H333 WeakPolarHBondContact O-CB 3.38Å; L330-H333 PolarHBondContact O-N 3.43Å; L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CD2 4.02Å; L330-L334 HydrophobicContact CD1-CG 3.93Å; L330-L334 HydrophobicContact CD2-CD1 4.47Å; L330-L334 HydrophobicContact CG-CD1 3.99Å; L330-L334 HydrophobicContact CG-CG 4.06Å; L330-L334 WeakPolarHBondContact O-CG 3.44Å; L330-L334 PolarHBondContact O-N 3.27Å
331	N	73.8	Confident	70	Confident	87 Å²	87	78 Å²	78	47%	0.465	40%	0.396	S	S	.	.	H	α-helix	trans	-58	-44.6	179.3	-88.7	3.5	0	0	0	112.1	S327 H333 L334 V335	S327-N331 WeakPolarHBondContact O-CB 3.19Å; S327-N331 PolarHBondContact O-N 2.96Å; N331-H333 PolarHBondContact O-N 2.89Å; N331-L334 PolarHBondContact O-N 3.21Å; N331-V335 WeakPolarHBondContact O-CG2 3.5Å; N331-V335 PolarHBondContact O-N 3.31Å
332	K	72.4	Confident	70.3	Confident	88 Å²	88	79.9 Å²	79.9	38%	0.383	40%	0.402	S	S	.	.	H	α-helix	trans	-59.9	-33.8	172.6	-78.2	171	173.9	163.2	0	113.2	W328 D329 L330	W328-K332 VanDerWaalsContact CE2-CE 3.44Å; W328-K332 WeakPolarHBondContact O-CG 3.28Å; W328-K332 PolarHBondContact O-N 3.49Å; D329-K332 IonicContact OD1-NZ 3.71Å; L330-K332 VanDerWaalsContact C-N 3.34Å; L330-K332 PolarHBondContact O-N 3.4Å
333	H	76.4	Confident	70.7	Confident	15 Å²	15	78.1 Å²	78.1	7%	0.069	39%	0.392	C	S	.	.	H	α-helix	trans	-76.2	-35.7	177.5	170.4	70.1	0	0	0	112.3	C317 C320 F324 D329 L330 N331 V335 I336 H337	C317-H333 VanDerWaalsContact SG-CD2 3.53Å; C317-H333 PolarHBondContact SG-NE2 2.82Å; C320-H333 PolarHBondContact SG-NE2 3.35Å; F324-H333 HydrophobicContact CD1-CB 4.45Å; F324-H333 HydrophobicContact CE1-CB 3.65Å; F324-H333 AromaticContact CE1-CG 3.85Å; F324-H333 HydrophobicContact CE2-CB 3.9Å; F324-H333 AromaticContact CE2-CD2 3.2Å; F324-H333 WeakPolarHBondContact CE2-CD2 3.46Å; F324-H333 AromaticContact CE2-CG 3.53Å; F324-H333 AromaticContact CE2-NE2 3.82Å; F324-H333 HydrophobicContact CZ-CB 3.36Å; F324-H333 AromaticContact CZ-CD2 3.26Å; F324-H333 WeakPolarHBondContact CZ-CD2 3.39Å; F324-H333 AromaticContact CZ-CE1 3.96Å; F324-H333 AromaticContact CZ-CG 3.06Å; F324-H333 AromaticContact CZ-ND1 3.55Å; F324-H333 AromaticContact CZ-NE2 3.8Å; D329-H333 WeakPolarHBondContact O-CB 3.41Å; D329-H333 PolarHBondContact O-N 3.05Å; L330-H333 CarbonylContact O-C 3.56Å; L330-H333 VanDerWaalsContact O-CA 3.31Å; L330-H333 WeakPolarHBondContact O-CA 3.46Å; L330-H333 VanDerWaalsContact O-CB 3.29Å; L330-H333 WeakPolarHBondContact O-CB 3.38Å; L330-H333 PolarHBondContact O-N 3.43Å; N331-H333 PolarHBondContact O-N 2.89Å; H333-V335 PolarHBondContact O-N 3.3Å; H333-I336 WeakPolarHBondContact O-CA 3.39Å; H333-I336 WeakPolarHBondContact O-CB 3.46Å; H333-I336 WeakPolarHBondContact O-CG1 3.48Å; H333-I336 PolarHBondContact O-N 3.21Å; H333-H337 AromaticContact CD2-NE2 3.88Å; H333-H337 AromaticContact CE1-NE2 3.39Å; H333-H337 PolarHBondContact CE1-NE2 2.78Å; H333-H337 AromaticContact NE2-CD2 3.59Å; H333-H337 AromaticContact NE2-NE2 2.96Å; H333-H337 PolarHBondContact NE2-NE2 2.86Å
334	L	72.1	Confident	71.4	Confident	60 Å²	60	81.2 Å²	81.2	31%	0.314	40%	0.403	S	S	.	.	H	α-helix	trans	-60.9	-29.3	176.3	-68.6	175.4	0	0	0	111.5	L330 N331 I336 H337 S338	L330-L334 HydrophobicContact CD1-CD1 4.32Å; L330-L334 HydrophobicContact CD1-CD2 4.02Å; L330-L334 HydrophobicContact CD1-CG 3.93Å; L330-L334 HydrophobicContact CD2-CD1 4.47Å; L330-L334 HydrophobicContact CG-CD1 3.99Å; L330-L334 HydrophobicContact CG-CG 4.06Å; L330-L334 WeakPolarHBondContact O-CG 3.44Å; L330-L334 PolarHBondContact O-N 3.27Å; N331-L334 PolarHBondContact O-N 3.21Å; L334-I336 PolarHBondContact O-N 2.86Å; L334-H337 PolarHBondContact O-N 3.11Å; L334-S338 PolarHBondContact O-N 2.95Å
335	V	71.6	Confident	72	Confident	39 Å²	39	79.4 Å²	79.4	24%	0.236	40%	0.396	C	S	.	.	H	α-helix	trans	-62.8	-10.6	170.9	-169.3	0	0	0	0	113.2	N331 H333 S338 P342 N353	N331-V335 WeakPolarHBondContact O-CG2 3.5Å; N331-V335 PolarHBondContact O-N 3.31Å; H333-V335 PolarHBondContact O-N 3.3Å; V335-S338 WeakPolarHBondContact CA-OG 3.28Å; V335-P342 HydrophobicContact CG1-CG 4.12Å; V335-N353 HydrophobicContact CG1-CB 4.03Å; V335-N353 PolarHBondContact O-ND2 3.3Å
336	I	69.3	Low	72.8	Confident	100 Å²	100	80.1 Å²	80.1	51%	0.513	41%	0.411	S	S	.	.	H	α-helix	trans	-84.4	-30.3	172.4	-59.5	167.3	0	0	0	111	H333 L334	H333-I336 WeakPolarHBondContact O-CA 3.39Å; H333-I336 WeakPolarHBondContact O-CB 3.46Å; H333-I336 WeakPolarHBondContact O-CG1 3.48Å; H333-I336 PolarHBondContact O-N 3.21Å; L334-I336 PolarHBondContact O-N 2.86Å
337	H	65.4	Low	73.5	Confident	67 Å²	67	81.9 Å²	81.9	31%	0.31	43%	0.425	S	S	.	.	H	α-helix	trans	-91.7	-30.5	180	-62.9	-53.3	0	0	0	112.7	C317 T319 C320 H333 L334 A339	C317-H337 PolarHBondContact SG-CD2 3.04Å; C317-H337 PolarHBondContact SG-NE2 3.3Å; T319-H337 HydrophobicContact CG2-CB 4.03Å; C320-H337 PolarHBondContact SG-NE2 3.26Å; H333-H337 AromaticContact CD2-NE2 3.88Å; H333-H337 AromaticContact CE1-NE2 3.39Å; H333-H337 PolarHBondContact CE1-NE2 2.78Å; H333-H337 AromaticContact NE2-CD2 3.59Å; H333-H337 AromaticContact NE2-NE2 2.96Å; H333-H337 PolarHBondContact NE2-NE2 2.86Å; L334-H337 PolarHBondContact O-N 3.11Å; H337-A339 PolarHBondContact O-N 3.24Å
338	S	64.1	Low	73.9	Confident	43 Å²	43	81.9 Å²	81.9	30%	0.301	43%	0.425	S	S	.	.	S	Bend	trans	-65.5	124.8	169.7	66.1	0	0	0	0	109	L334 V335 E340	L334-S338 PolarHBondContact O-N 2.95Å; V335-S338 WeakPolarHBondContact CA-OG 3.28Å; S338-E340 PolarHBondContact O-N 3.05Å; S338-E340 VanDerWaalsContact O-N 3.1Å; S338-E340 PolarHBondContact OG-O 3.04Å
339	A	60.3	Low	74.2	Confident	100 Å²	100	76.6 Å²	76.6	83%	0.826	42%	0.422	S	S	*	.	S	Bend	trans	-60.1	-15.5	167.2	0	0	0	0	0	111.8	H337 K341	H337-A339 PolarHBondContact O-N 3.24Å; A339-K341 PolarHBondContact O-N 2.9Å
340	E	64.3	Low	74.3	Confident	152 Å²	152	77.6 Å²	77.6	71%	0.71	43%	0.428	S	S	*	.			trans	-60.4	108.1	168.4	-62.6	-168.2	173.9	0	0	110.7	S338 P342	S338-E340 PolarHBondContact O-N 3.05Å; S338-E340 VanDerWaalsContact O-N 3.1Å; S338-E340 PolarHBondContact OG-O 3.04Å; E340-P342 VanDerWaalsContact O-CD 3.29Å; E340-P342 WeakPolarHBondContact O-CD 3.24Å
341	K	72.8	Confident	74.5	Confident	90 Å²	90	77 Å²	77	39%	0.391	43%	0.427	S	S	.	.			trans	-100.4	92.6	169.5	-79.8	156.9	159.4	-146.9	0	106.8	A339 Y343 G351 F352	A339-K341 PolarHBondContact O-N 2.9Å; K341-Y343 PolarHBondContact O-N 2.96Å; K341-G351 VanDerWaalsContact CB-CA 3.43Å; K341-G351 VanDerWaalsContact CD-C 3.45Å; K341-G351 WeakPolarHBondContact CD-O 3.47Å; K341-G351 WeakPolarHBondContact CE-O 3.38Å; K341-G351 WeakPolarHBondContact CG-O 3.4Å; K341-G351 PolarHBondContact NZ-O 3.42Å; K341-F352 CarbonylContact C-O 3.57Å
342	P	75.7	Confident	74.8	Confident	79 Å²	79	74.7 Å²	74.7	51%	0.513	41%	0.412	S	S	.	.	S	Bend	trans	-64.9	-19.6	-167	-20	33.4	0	0	0	112.8	V335 E340 F352	V335-P342 HydrophobicContact CG1-CG 4.12Å; E340-P342 VanDerWaalsContact O-CD 3.29Å; E340-P342 WeakPolarHBondContact O-CD 3.24Å; P342-F352 WeakPolarHBondContact CD-O 3.22Å
343	Y	79.1	Confident	74.9	Confident	90 Å²	90	73.1 Å²	73.1	35%	0.353	41%	0.408	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.3	93.8	-178.6	-55.1	-79.3	0	0	0	108.9	K341 F352 R354 R355	K341-Y343 PolarHBondContact O-N 2.96Å; Y343-F352 WeakPolarHBondContact CB-O 3.35Å; Y343-F352 PolarHBondContact N-O 3.4Å; Y343-F352 VanDerWaalsContact N-O 3.16Å; Y343-F352 PolarHBondContact O-N 3.45Å; Y343-R354 VanDerWaalsContact CD2-C 3.47Å; Y343-R355 HydrophobicContact CD1-CB 3.86Å; Y343-R355 HydrophobicContact CD1-CG 4.29Å; Y343-R355 HydrophobicContact CE1-CB 3.65Å; Y343-R355 HydrophobicContact CE1-CG 4.25Å; Y343-R355 HydrophobicContact CE2-CB 4.5Å; Y343-R355 HydrophobicContact CG-CB 4.34Å
344	K	81.5	Confident	74.9	Confident	145 Å²	145	79.5 Å²	79.5	63%	0.63	43%	0.431	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.1	147.3	177	-62.7	-176.4	-177.6	178.7	0	111	L358	K344-L358 WeakPolarHBondContact O-CD2 3.48Å
345	C	85	Confident	75.1	Confident	2 Å²	2	82.6 Å²	82.6	1%	0.014	44%	0.439	C	S	.	.			trans	-86.6	122.8	170.4	-179	0	0	0	0	109	V347 C348 G349 N350 F352 L358 H361 H365	C345-V347 PolarHBondContact O-N 2.84Å; C345-C348 VanDerWaalsContact SG-SG 3.69Å; C345-G349 WeakPolarHBondContact O-CA 3.39Å; C345-G349 PolarHBondContact O-N 2.84Å; C345-N350 HydrophobicContact CB-CB 4.47Å; C345-N350 WeakPolarHBondContact CB-O 3.31Å; C345-N350 PolarHBondContact N-O 3.44Å; C345-F352 HydrophobicContact CB-CE2 4.33Å; C345-L358 HydrophobicContact CB-CD1 3.78Å; C345-H361 PolarHBondContact SG-NE2 3.16Å; C345-H361 VanDerWaalsContact SG-NE2 3.36Å; C345-H365 PolarHBondContact SG-NE2 2.8Å; C345-H365 VanDerWaalsContact SG-NE2 3.45Å
346	D	81.7	Confident	75.4	Confident	160 Å²	160	86.6 Å²	86.6	86%	0.856	45%	0.451	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.3	-17.7	-178.4	-53.3	-39.6	0	0	0	112.4
347	V	81.9	Confident	76	Confident	104 Å²	104	84.8 Å²	84.8	63%	0.63	44%	0.442	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.6	-39.3	-177.5	-173.4	0	0	0	0	113	C345 H365	C345-V347 PolarHBondContact O-N 2.84Å; V347-H365 HydrophobicContact CG1-CB 4.5Å
348	C	82	Confident	76.8	Confident	53 Å²	53	81.8 Å²	81.8	36%	0.358	43%	0.428	S	S	.	.	T	Hydrogen-bonded Turn	trans	-129.2	8	-175.5	66.2	0	0	0	0	114.3	C345 N350 H361 H365	C345-C348 VanDerWaalsContact SG-SG 3.69Å; C348-N350 PolarHBondContact O-N 2.79Å; C348-N350 PolarHBondContact SG-ND2 3.32Å; C348-H361 VanDerWaalsContact SG-CE1 3.51Å; C348-H361 PolarHBondContact SG-NE2 2.78Å; C348-H365 PolarHBondContact SG-NE2 3.34Å
349	G	78	Confident	77.6	Confident	56 Å²	56	82.8 Å²	82.8	58%	0.577	43%	0.43	S	S	*	.			trans	69.3	-4	179	0	0	0	0	0	115.2	C345 G351	C345-G349 WeakPolarHBondContact O-CA 3.39Å; C345-G349 PolarHBondContact O-N 2.84Å; G349-G351 PolarHBondContact O-N 3.13Å
350	N	78.8	Confident	78.6	Confident	80 Å²	80	80.1 Å²	80.1	43%	0.428	40%	0.402	S	S	.	.			trans	-62.3	123	-179	-82.8	-45.5	0	0	0	111.2	C345 C348 F352	C345-N350 HydrophobicContact CB-CB 4.47Å; C345-N350 WeakPolarHBondContact CB-O 3.31Å; C345-N350 PolarHBondContact N-O 3.44Å; C348-N350 PolarHBondContact O-N 2.79Å; C348-N350 PolarHBondContact SG-ND2 3.32Å; N350-F352 HydrophobicContact CB-CE2 3.9Å; N350-F352 HydrophobicContact CB-CZ 4Å; N350-F352 WeakPolarHBondContact O-CD2 3.49Å; N350-F352 WeakPolarHBondContact O-CE2 3.46Å
351	G	79.4	Confident	79.6	Confident	8 Å²	8	74.2 Å²	74.2	8%	0.082	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	144.5	176.4	0	0	0	0	0	113.6	K341 G349	K341-G351 VanDerWaalsContact CB-CA 3.43Å; K341-G351 VanDerWaalsContact CD-C 3.45Å; K341-G351 WeakPolarHBondContact CD-O 3.47Å; K341-G351 WeakPolarHBondContact CE-O 3.38Å; K341-G351 WeakPolarHBondContact CG-O 3.4Å; K341-G351 PolarHBondContact NZ-O 3.42Å; G349-G351 PolarHBondContact O-N 3.13Å
352	F	79.8	Confident	80	Confident	38 Å²	38	72.5 Å²	72.5	17%	0.167	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	147.5	177.8	-57.2	-88	0	0	0	112.2	K341 P342 Y343 C345 N350 R354 N357 L358 H361	K341-F352 CarbonylContact C-O 3.57Å; P342-F352 WeakPolarHBondContact CD-O 3.22Å; Y343-F352 WeakPolarHBondContact CB-O 3.35Å; Y343-F352 PolarHBondContact N-O 3.4Å; Y343-F352 VanDerWaalsContact N-O 3.16Å; Y343-F352 PolarHBondContact O-N 3.45Å; C345-F352 HydrophobicContact CB-CE2 4.33Å; N350-F352 HydrophobicContact CB-CE2 3.9Å; N350-F352 HydrophobicContact CB-CZ 4Å; N350-F352 WeakPolarHBondContact O-CD2 3.49Å; N350-F352 WeakPolarHBondContact O-CE2 3.46Å; F352-R354 VanDerWaalsContact C-N 3.31Å; F352-N357 HydrophobicContact CB-CB 4.17Å; F352-N357 HydrophobicContact CD1-CB 3.89Å; F352-N357 HydrophobicContact CG-CB 4.31Å; F352-L358 HydrophobicContact CB-CB 4.22Å; F352-L358 HydrophobicContact CD2-CB 3.86Å; F352-L358 HydrophobicContact CD2-CD1 3.7Å; F352-L358 HydrophobicContact CD2-CG 4.39Å; F352-L358 HydrophobicContact CE2-CD1 3.92Å; F352-L358 HydrophobicContact CG-CB 4.18Å; F352-H361 HydrophobicContact CE1-CB 3.77Å; F352-H361 HydrophobicContact CE2-CB 3.77Å; F352-H361 AromaticContact CE2-CD2 3.34Å; F352-H361 WeakPolarHBondContact CE2-CD2 3.31Å; F352-H361 AromaticContact CE2-CG 3.52Å; F352-H361 AromaticContact CE2-NE2 3.97Å; F352-H361 HydrophobicContact CZ-CB 3.3Å; F352-H361 AromaticContact CZ-CD2 3.44Å; F352-H361 VanDerWaalsContact CZ-CD2 3.44Å; F352-H361 WeakPolarHBondContact CZ-CD2 3.37Å; F352-H361 AromaticContact CZ-CG 3.11Å; F352-H361 AromaticContact CZ-ND1 3.56Å; F352-H361 AromaticContact CZ-NE2 3.98Å
353	N	74.6	Confident	80.4	Confident	54 Å²	54	71.1 Å²	71.1	29%	0.289	35%	0.354	S	S	.	.	S	Bend	trans	-80.3	-15.3	-178.5	-41.3	54.4	0	0	0	112.1	V335	V335-N353 HydrophobicContact CG1-CB 4.03Å; V335-N353 PolarHBondContact O-ND2 3.3Å
354	R	75.6	Confident	80.5	Confident	149 Å²	149	72 Å²	72	56%	0.562	37%	0.368	S	S	*	.	S	Bend	trans	-141.7	140.3	-177.2	-64.9	-173.8	179.8	-177.4	0.4	110.7	Y343 F352 Y356 N357 L358	Y343-R354 VanDerWaalsContact CD2-C 3.47Å; F352-R354 VanDerWaalsContact C-N 3.31Å; R354-Y356 VanDerWaalsContact C-N 3.33Å; R354-Y356 PolarHBondContact O-N 2.86Å; R354-N357 WeakPolarHBondContact O-CB 3.35Å; R354-N357 PolarHBondContact O-N 2.79Å; R354-L358 PolarHBondContact O-N 3.12Å
355	R	77.1	Confident	80.6	Confident	125 Å²	125	68.8 Å²	68.8	47%	0.472	36%	0.355	S	S	.	.	H	α-helix	trans	-55.7	-43.9	177.4	-172.9	66.2	-160.7	-168.2	-0.2	113.5	Y343 N357 L358 D359	Y343-R355 HydrophobicContact CD1-CB 3.86Å; Y343-R355 HydrophobicContact CD1-CG 4.29Å; Y343-R355 HydrophobicContact CE1-CB 3.65Å; Y343-R355 HydrophobicContact CE1-CG 4.25Å; Y343-R355 HydrophobicContact CE2-CB 4.5Å; Y343-R355 HydrophobicContact CG-CB 4.34Å; R355-N357 PolarHBondContact O-N 3.41Å; R355-L358 WeakPolarHBondContact O-CB 3.38Å; R355-L358 PolarHBondContact O-N 3.43Å; R355-L358 VanDerWaalsContact O-N 3.11Å; R355-D359 IonicContact CZ-OD1 3.11Å; R355-D359 IonicContact NE-OD1 3.57Å; R355-D359 PolarHBondContact NE-OD1 3.44Å; R355-D359 IonicContact NH2-OD1 3.99Å; R355-D359 PolarHBondContact NH2-OD1 3.41Å; R355-D359 PolarHBondContact O-N 3.09Å
356	Y	78	Confident	80.3	Confident	123 Å²	123	72.9 Å²	72.9	48%	0.482	38%	0.38	S	S	.	.	H	α-helix	trans	-57.8	-34.3	177.3	169.4	-96.1	0	0	0	113.2	R354 L360	R354-Y356 VanDerWaalsContact C-N 3.33Å; R354-Y356 PolarHBondContact O-N 2.86Å; Y356-L360 WeakPolarHBondContact O-CB 3.4Å; Y356-L360 PolarHBondContact O-N 2.93Å
357	N	81.3	Confident	80.2	Confident	62 Å²	62	67.5 Å²	67.5	33%	0.332	36%	0.363	S	S	.	.	H	α-helix	trans	-73.2	-37.6	178.6	-67.6	-12.2	0	0	0	111.1	F352 R354 R355 L360 H361	F352-N357 HydrophobicContact CB-CB 4.17Å; F352-N357 HydrophobicContact CD1-CB 3.89Å; F352-N357 HydrophobicContact CG-CB 4.31Å; R354-N357 WeakPolarHBondContact O-CB 3.35Å; R354-N357 PolarHBondContact O-N 2.79Å; R355-N357 PolarHBondContact O-N 3.41Å; N357-L360 PolarHBondContact O-N 3Å; N357-H361 WeakPolarHBondContact O-CB 3.31Å; N357-H361 PolarHBondContact O-N 2.87Å
358	L	82.6	Confident	80.1	Confident	4 Å²	4	68 Å²	68	2%	0.021	36%	0.358	C	S	.	.	H	α-helix	trans	-61.6	-49.8	170.3	173.8	63	0	0	0	110.5	K344 C345 F352 R354 R355 L360 H361 L362	K344-L358 WeakPolarHBondContact O-CD2 3.48Å; C345-L358 HydrophobicContact CB-CD1 3.78Å; F352-L358 HydrophobicContact CB-CB 4.22Å; F352-L358 HydrophobicContact CD2-CB 3.86Å; F352-L358 HydrophobicContact CD2-CD1 3.7Å; F352-L358 HydrophobicContact CD2-CG 4.39Å; F352-L358 HydrophobicContact CE2-CD1 3.92Å; F352-L358 HydrophobicContact CG-CB 4.18Å; R354-L358 PolarHBondContact O-N 3.12Å; R355-L358 WeakPolarHBondContact O-CB 3.38Å; R355-L358 PolarHBondContact O-N 3.43Å; R355-L358 VanDerWaalsContact O-N 3.11Å; L358-L360 PolarHBondContact O-N 3.35Å; L358-H361 CarbonylContact O-C 3.34Å; L358-H361 WeakPolarHBondContact O-CA 3.16Å; L358-H361 WeakPolarHBondContact O-CB 3.45Å; L358-H361 PolarHBondContact O-N 3.44Å; L358-L362 HydrophobicContact CD1-CD1 4.44Å; L358-L362 HydrophobicContact CD1-CD2 4.27Å; L358-L362 HydrophobicContact CD1-CG 4.07Å; L358-L362 HydrophobicContact CG-CD1 4.22Å; L358-L362 HydrophobicContact CG-CG 4.31Å; L358-L362 WeakPolarHBondContact O-CG 3.33Å; L358-L362 PolarHBondContact O-N 3.48Å
359	D	80.8	Confident	80.1	Confident	64 Å²	64	70.9 Å²	70.9	34%	0.342	37%	0.365	S	S	.	.	H	α-helix	trans	-59.5	-35.5	179.3	-64.3	-16.8	0	0	0	112.1	R355	R355-D359 IonicContact CZ-OD1 3.11Å; R355-D359 IonicContact NE-OD1 3.57Å; R355-D359 PolarHBondContact NE-OD1 3.44Å; R355-D359 IonicContact NH2-OD1 3.99Å; R355-D359 PolarHBondContact NH2-OD1 3.41Å; R355-D359 PolarHBondContact O-N 3.09Å
360	L	81.4	Confident	80.1	Confident	44 Å²	44	71.3 Å²	71.3	23%	0.23	36%	0.358	C	S	.	.	H	α-helix	trans	-70.6	-38.3	174	-175.5	68.1	0	0	0	111.9	Y356 N357 L358 R363 S381	Y356-L360 WeakPolarHBondContact O-CB 3.4Å; Y356-L360 PolarHBondContact O-N 2.93Å; N357-L360 PolarHBondContact O-N 3Å; L358-L360 PolarHBondContact O-N 3.35Å; L360-R363 WeakPolarHBondContact O-CB 3.19Å; L360-R363 PolarHBondContact O-N 3.47Å; L360-S381 WeakPolarHBondContact CD1-O 3.42Å
361	H	83.6	Confident	80.3	Confident	29 Å²	29	69.1 Å²	69.1	13%	0.134	34%	0.344	C	S	.	.	H	α-helix	trans	-68.9	-37.9	177.4	166.3	75.6	0	0	0	112.5	C345 C348 F352 N357 L358 R363 V364 H365	C345-H361 PolarHBondContact SG-NE2 3.16Å; C345-H361 VanDerWaalsContact SG-NE2 3.36Å; C348-H361 VanDerWaalsContact SG-CE1 3.51Å; C348-H361 PolarHBondContact SG-NE2 2.78Å; F352-H361 HydrophobicContact CE1-CB 3.77Å; F352-H361 HydrophobicContact CE2-CB 3.77Å; F352-H361 AromaticContact CE2-CD2 3.34Å; F352-H361 WeakPolarHBondContact CE2-CD2 3.31Å; F352-H361 AromaticContact CE2-CG 3.52Å; F352-H361 AromaticContact CE2-NE2 3.97Å; F352-H361 HydrophobicContact CZ-CB 3.3Å; F352-H361 AromaticContact CZ-CD2 3.44Å; F352-H361 VanDerWaalsContact CZ-CD2 3.44Å; F352-H361 WeakPolarHBondContact CZ-CD2 3.37Å; F352-H361 AromaticContact CZ-CG 3.11Å; F352-H361 AromaticContact CZ-ND1 3.56Å; F352-H361 AromaticContact CZ-NE2 3.98Å; N357-H361 WeakPolarHBondContact O-CB 3.31Å; N357-H361 PolarHBondContact O-N 2.87Å; L358-H361 CarbonylContact O-C 3.34Å; L358-H361 WeakPolarHBondContact O-CA 3.16Å; L358-H361 WeakPolarHBondContact O-CB 3.45Å; L358-H361 PolarHBondContact O-N 3.44Å; H361-R363 PolarHBondContact O-N 3.47Å; H361-V364 WeakPolarHBondContact O-CB 3.36Å; H361-V364 WeakPolarHBondContact O-CG2 3.49Å; H361-V364 PolarHBondContact O-N 3.26Å; H361-H365 AromaticContact CE1-NE2 3.67Å; H361-H365 AromaticContact NE2-CD2 3.91Å; H361-H365 AromaticContact NE2-NE2 3.27Å; H361-H365 PolarHBondContact NE2-NE2 3.31Å
362	L	81.8	Confident	80.2	Confident	53 Å²	53	73.4 Å²	73.4	28%	0.277	36%	0.364	S	S	.	.	H	α-helix	trans	-56.6	-26.7	176.4	-71.3	174.5	0	0	0	112.2	L358 V364 H365 T366	L358-L362 HydrophobicContact CD1-CD1 4.44Å; L358-L362 HydrophobicContact CD1-CD2 4.27Å; L358-L362 HydrophobicContact CD1-CG 4.07Å; L358-L362 HydrophobicContact CG-CD1 4.22Å; L358-L362 HydrophobicContact CG-CG 4.31Å; L358-L362 WeakPolarHBondContact O-CG 3.33Å; L358-L362 PolarHBondContact O-N 3.48Å; L362-V364 PolarHBondContact O-N 2.84Å; L362-H365 PolarHBondContact O-N 2.88Å; L362-T366 PolarHBondContact O-N 3.44Å; L362-T366 VanDerWaalsContact O-N 3.08Å; L362-T366 PolarHBondContact O-OG1 3.36Å
363	R	84.4	Confident	80.4	Confident	51 Å²	51	71.7 Å²	71.7	19%	0.192	36%	0.356	C	S	.	.	H	α-helix	trans	-66.4	-17.3	173.4	-60.8	-178.5	-173	157.5	6.6	114.6	L360 H361 H365 T366 G367 E368 S381	L360-R363 WeakPolarHBondContact O-CB 3.19Å; L360-R363 PolarHBondContact O-N 3.47Å; H361-R363 PolarHBondContact O-N 3.47Å; R363-H365 VanDerWaalsContact C-N 3.34Å; R363-T366 WeakPolarHBondContact CA-OG1 3.39Å; R363-G367 CarbonylContact O-C 3.49Å; R363-G367 WeakPolarHBondContact O-CA 3.37Å; R363-G367 PolarHBondContact O-N 3.34Å; R363-E368 HydrophobicContact CB-CB 4.43Å; R363-E368 WeakPolarHBondContact CB-O 3.3Å; R363-E368 HydrophobicContact CG-CB 4.21Å; R363-E368 PolarHBondContact O-N 3Å; R363-S381 PolarHBondContact NH1-O 3.4Å
364	V	82.1	Confident	80.7	Confident	109 Å²	109	76.6 Å²	76.6	66%	0.661	38%	0.382	S	S	*	.	H	α-helix	trans	-69.9	-37.2	171.7	-179.5	0	0	0	0	110	H361 L362	H361-V364 WeakPolarHBondContact O-CB 3.36Å; H361-V364 WeakPolarHBondContact O-CG2 3.49Å; H361-V364 PolarHBondContact O-N 3.26Å; L362-V364 PolarHBondContact O-N 2.84Å
365	H	81.8	Confident	80.8	Confident	77 Å²	77	73.8 Å²	73.8	36%	0.356	38%	0.382	S	S	.	.	H	α-helix	trans	-77.9	-42.7	177.8	-61.7	-60.9	0	0	0	112.1	C345 V347 C348 H361 L362 R363 G367	C345-H365 PolarHBondContact SG-NE2 2.8Å; C345-H365 VanDerWaalsContact SG-NE2 3.45Å; V347-H365 HydrophobicContact CG1-CB 4.5Å; C348-H365 PolarHBondContact SG-NE2 3.34Å; H361-H365 AromaticContact CE1-NE2 3.67Å; H361-H365 AromaticContact NE2-CD2 3.91Å; H361-H365 AromaticContact NE2-NE2 3.27Å; H361-H365 PolarHBondContact NE2-NE2 3.31Å; L362-H365 PolarHBondContact O-N 2.88Å; R363-H365 VanDerWaalsContact C-N 3.34Å; H365-G367 VanDerWaalsContact C-N 3.32Å
366	T	80.3	Confident	81.1	Confident	87 Å²	87	70.3 Å²	70.3	53%	0.534	38%	0.376	S	S	.	.	H	α-helix	trans	-81.6	-11.7	-178.7	64	0	0	0	0	113.6	L362 R363 E368	L362-T366 PolarHBondContact O-N 3.44Å; L362-T366 VanDerWaalsContact O-N 3.08Å; L362-T366 PolarHBondContact O-OG1 3.36Å; R363-T366 WeakPolarHBondContact CA-OG1 3.39Å; T366-E368 PolarHBondContact O-N 3.17Å; T366-E368 VanDerWaalsContact O-N 3.13Å; T366-E368 WeakPolarHBondContact OG1-CG 3.34Å; T366-E368 PolarHBondContact OG1-N 3.22Å
367	G	79.4	Confident	81.2	Confident	48 Å²	48	66.8 Å²	66.8	50%	0.495	38%	0.377	S	S	.	.			trans	68.3	3.2	-173.9	0	0	0	0	0	114.4	R363 H365 K369	R363-G367 CarbonylContact O-C 3.49Å; R363-G367 WeakPolarHBondContact O-CA 3.37Å; R363-G367 PolarHBondContact O-N 3.34Å; H365-G367 VanDerWaalsContact C-N 3.32Å; G367-K369 PolarHBondContact O-N 3.08Å
368	E	79.4	Confident	81.1	Confident	113 Å²	113	70 Å²	70	53%	0.528	39%	0.388	S	S	.	.			trans	-61.1	121.3	-176.6	-77.4	-175.9	178	0	0	111.9	R363 T366 P370	R363-E368 HydrophobicContact CB-CB 4.43Å; R363-E368 WeakPolarHBondContact CB-O 3.3Å; R363-E368 HydrophobicContact CG-CB 4.21Å; R363-E368 PolarHBondContact O-N 3Å; T366-E368 PolarHBondContact O-N 3.17Å; T366-E368 VanDerWaalsContact O-N 3.13Å; T366-E368 WeakPolarHBondContact OG1-CG 3.34Å; T366-E368 PolarHBondContact OG1-N 3.22Å; E368-P370 WeakPolarHBondContact O-CD 3.34Å
369	K	82.4	Confident	81.1	Confident	114 Å²	114	72.8 Å²	72.8	50%	0.496	41%	0.405	S	S	.	.			trans	-124.2	76.1	175.1	-69	175.4	-178.2	176.1	0	110.7	G367 Y371 T379 F380	G367-K369 PolarHBondContact O-N 3.08Å; K369-Y371 PolarHBondContact O-N 2.95Å; K369-Y371 VanDerWaalsContact O-N 3.11Å; K369-T379 WeakPolarHBondContact CB-OG1 3.24Å; K369-T379 WeakPolarHBondContact CD-OG1 3.24Å; K369-F380 CarbonylContact C-O 3.55Å; K369-F380 VanDerWaalsContact C-O 3.26Å; K369-F380 WeakPolarHBondContact CA-O 3.27Å
370	P	77.9	Confident	81.1	Confident	66 Å²	66	71.6 Å²	71.6	43%	0.429	40%	0.397	S	S	.	.			trans	-69.2	-12.2	-169.6	-19.9	33.4	0	0	0	114.9	E368	E368-P370 WeakPolarHBondContact O-CD 3.34Å
371	Y	81.9	Confident	81	Confident	34 Å²	34	71.4 Å²	71.4	13%	0.133	40%	0.399	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.8	108.4	-175	-56.9	-73.9	0	0	0	109.7	K369 T379 F380 C383	K369-Y371 PolarHBondContact O-N 2.95Å; K369-Y371 VanDerWaalsContact O-N 3.11Å; Y371-T379 CarbonylContact O-C 3.57Å; Y371-T379 WeakPolarHBondContact O-CA 3.44Å; Y371-F380 WeakPolarHBondContact CD2-O 3.4Å; Y371-F380 PolarHBondContact N-O 3.1Å; Y371-F380 VanDerWaalsContact N-O 3.13Å; Y371-F380 PolarHBondContact O-N 3.11Å; Y371-C383 HydrophobicContact CD1-CB 3.72Å; Y371-C383 HydrophobicContact CD2-CB 4.37Å; Y371-C383 VanDerWaalsContact CD2-N 3.31Å; Y371-C383 HydrophobicContact CE1-CB 3.53Å; Y371-C383 HydrophobicContact CE2-CB 4.17Å; Y371-C383 VanDerWaalsContact CE2-N 3.31Å; Y371-C383 HydrophobicContact CG-CB 4.14Å
372	I	79	Confident	80.7	Confident	98 Å²	98	70.2 Å²	70.2	50%	0.503	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	135.1	-177.7	-53.2	171.2	0	0	0	108.5	T379	I372-T379 HydrophobicContact CG1-CG2 4.01Å; I372-T379 HydrophobicContact CG2-CG2 4.45Å
373	C	82.9	Confident	80.5	Confident	1 Å²	1	69.4 Å²	69.4	1%	0.007	39%	0.393	C	S	.	.			trans	-79.1	117.4	166.4	176.4	0	0	0	0	108.7	T375 C376 G377 K378 F380 M390 H393	C373-T375 PolarHBondContact O-N 3.39Å; C373-T375 PolarHBondContact SG-N 2.71Å; C373-C376 VanDerWaalsContact SG-SG 3.61Å; C373-G377 VanDerWaalsContact O-CA 3.22Å; C373-G377 WeakPolarHBondContact O-CA 3.45Å; C373-G377 PolarHBondContact O-N 3.27Å; C373-K378 WeakPolarHBondContact CB-O 3.46Å; C373-K378 PolarHBondContact N-O 3.24Å; C373-F380 HydrophobicContact CB-CE2 4.15Å; C373-M390 HydrophobicContact CB-SD 4.5Å; C373-H393 PolarHBondContact SG-NE2 3.19Å
374	N	80.3	Confident	80.2	Confident	157 Å²	157	70.7 Å²	70.7	84%	0.84	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.2	-16.8	-179	-62.8	-9.4	0	0	0	113
375	T	79.3	Confident	80.2	Confident	91 Å²	91	69.2 Å²	69.2	56%	0.558	40%	0.395	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87	-36.7	-178.1	-47.8	0	0	0	0	113.1	C373 H393	C373-T375 PolarHBondContact O-N 3.39Å; C373-T375 PolarHBondContact SG-N 2.71Å; T375-H393 HydrophobicContact CG2-CB 4.18Å
376	C	83	Confident	80.3	Confident	52 Å²	52	67.3 Å²	67.3	35%	0.351	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128.5	7.6	-177.5	69.8	0	0	0	0	114.6	C373 K378 H389 H393	C373-C376 VanDerWaalsContact SG-SG 3.61Å; C376-K378 PolarHBondContact O-N 3.32Å; C376-H389 PolarHBondContact SG-NE2 2.85Å; C376-H393 PolarHBondContact SG-NE2 3.21Å
377	G	78.9	Confident	80.3	Confident	48 Å²	48	70 Å²	70	50%	0.495	39%	0.391	S	S	.	.			trans	69.4	-5.4	179.7	0	0	0	0	0	115.3	C373 T379	C373-G377 VanDerWaalsContact O-CA 3.22Å; C373-G377 WeakPolarHBondContact O-CA 3.45Å; C373-G377 PolarHBondContact O-N 3.27Å; G377-T379 PolarHBondContact O-N 3.42Å
378	K	79.6	Confident	80.4	Confident	129 Å²	129	72 Å²	72	56%	0.561	39%	0.386	S	S	*	.			trans	-62.6	135.1	-178.7	-73.8	-179.2	-177.7	173	0	111.4	C373 C376 F380	C373-K378 WeakPolarHBondContact CB-O 3.46Å; C373-K378 PolarHBondContact N-O 3.24Å; C376-K378 PolarHBondContact O-N 3.32Å; K378-F380 HydrophobicContact CB-CE2 3.9Å; K378-F380 HydrophobicContact CB-CZ 4.06Å; K378-F380 WeakPolarHBondContact O-CD2 3.17Å; K378-F380 WeakPolarHBondContact O-CE2 3.36Å
379	T	82.4	Confident	80.6	Confident	64 Å²	64	67.6 Å²	67.6	39%	0.393	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	144.4	-177.2	65.2	0	0	0	0	111.8	K369 Y371 I372 G377	K369-T379 WeakPolarHBondContact CB-OG1 3.24Å; K369-T379 WeakPolarHBondContact CD-OG1 3.24Å; Y371-T379 CarbonylContact O-C 3.57Å; Y371-T379 WeakPolarHBondContact O-CA 3.44Å; I372-T379 HydrophobicContact CG1-CG2 4.01Å; I372-T379 HydrophobicContact CG2-CG2 4.45Å; G377-T379 PolarHBondContact O-N 3.42Å
380	F	81.5	Confident	80.6	Confident	39 Å²	39	64.7 Å²	64.7	17%	0.171	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	144.3	-175.5	-60.3	-89.6	0	0	0	111	K369 Y371 C373 K378 S382 N385 M386 H389	K369-F380 CarbonylContact C-O 3.55Å; K369-F380 VanDerWaalsContact C-O 3.26Å; K369-F380 WeakPolarHBondContact CA-O 3.27Å; Y371-F380 WeakPolarHBondContact CD2-O 3.4Å; Y371-F380 PolarHBondContact N-O 3.1Å; Y371-F380 VanDerWaalsContact N-O 3.13Å; Y371-F380 PolarHBondContact O-N 3.11Å; C373-F380 HydrophobicContact CB-CE2 4.15Å; K378-F380 HydrophobicContact CB-CE2 3.9Å; K378-F380 HydrophobicContact CB-CZ 4.06Å; K378-F380 WeakPolarHBondContact O-CD2 3.17Å; K378-F380 WeakPolarHBondContact O-CE2 3.36Å; F380-S382 VanDerWaalsContact C-N 3.33Å; F380-N385 HydrophobicContact CD1-CB 4.22Å; F380-M386 HydrophobicContact CB-CB 4.01Å; F380-M386 HydrophobicContact CD2-CB 3.77Å; F380-M386 HydrophobicContact CD2-CG 4.07Å; F380-M386 HydrophobicContact CG-CB 3.95Å; F380-H389 HydrophobicContact CE1-CB 3.78Å; F380-H389 AromaticContact CE1-CG 3.95Å; F380-H389 HydrophobicContact CE2-CB 4.04Å; F380-H389 AromaticContact CE2-CD2 3.36Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.44Å; F380-H389 AromaticContact CE2-CG 3.71Å; F380-H389 AromaticContact CE2-NE2 3.97Å; F380-H389 HydrophobicContact CZ-CB 3.44Å; F380-H389 VanDerWaalsContact CZ-CB 3.44Å; F380-H389 AromaticContact CZ-CD2 3.29Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.46Å; F380-H389 AromaticContact CZ-CG 3.14Å; F380-H389 AromaticContact CZ-ND1 3.65Å; F380-H389 AromaticContact CZ-NE2 3.82Å
381	S	79.6	Confident	80.9	Confident	39 Å²	39	64.1 Å²	64.1	27%	0.273	34%	0.343	S	S	.	.	S	Bend	trans	-77.2	-17.1	175.2	57.8	0	0	0	0	113	L360 R363	L360-S381 WeakPolarHBondContact CD1-O 3.42Å; R363-S381 PolarHBondContact NH1-O 3.4Å
382	S	77.7	Confident	81	Confident	5 Å²	5	68.7 Å²	68.7	4%	0.035	37%	0.368	C	S	.	.			trans	-134.2	144.9	178.9	89.4	0	0	0	0	112.8	F380 V384 N385 M386	F380-S382 VanDerWaalsContact C-N 3.33Å; S382-V384 VanDerWaalsContact C-N 3.28Å; S382-V384 PolarHBondContact O-N 2.94Å; S382-N385 PolarHBondContact O-N 3.24Å; S382-N385 VanDerWaalsContact OG-CB 3.25Å; S382-N385 WeakPolarHBondContact OG-CB 3.46Å; S382-N385 PolarHBondContact OG-N 3.32Å; S382-N385 VanDerWaalsContact OG-N 3.1Å; S382-N385 PolarHBondContact OG-ND2 3.07Å; S382-N385 PolarHBondContact OG-OD1 2.74Å; S382-M386 PolarHBondContact O-N 2.85Å; S382-M386 VanDerWaalsContact O-N 3.1Å
383	C	77.3	Confident	81.1	Confident	36 Å²	36	67.5 Å²	67.5	24%	0.243	36%	0.361	C	S	.	.	H	α-helix	trans	-69.2	-28.7	179.2	76.8	0	0	0	0	112.5	Y371 K387	Y371-C383 HydrophobicContact CD1-CB 3.72Å; Y371-C383 HydrophobicContact CD2-CB 4.37Å; Y371-C383 VanDerWaalsContact CD2-N 3.31Å; Y371-C383 HydrophobicContact CE1-CB 3.53Å; Y371-C383 HydrophobicContact CE2-CB 4.17Å; Y371-C383 VanDerWaalsContact CE2-N 3.31Å; Y371-C383 HydrophobicContact CG-CB 4.14Å; C383-K387 WeakPolarHBondContact O-CB 3.48Å; C383-K387 WeakPolarHBondContact O-CG 3.23Å; C383-K387 PolarHBondContact O-N 2.98Å
384	V	78.7	Confident	81	Confident	78 Å²	78	71.1 Å²	71.1	47%	0.473	38%	0.383	S	S	.	.	H	α-helix	trans	-68.6	-41.5	177.9	179.2	0	0	0	0	109.8	S382 K387 K388	S382-V384 VanDerWaalsContact C-N 3.28Å; S382-V384 PolarHBondContact O-N 2.94Å; V384-K387 PolarHBondContact O-N 3.25Å; V384-K388 WeakPolarHBondContact O-CG 3.33Å; V384-K388 PolarHBondContact O-N 3.36Å
385	N	81.4	Confident	81.1	Confident	78 Å²	78	66 Å²	66	42%	0.417	37%	0.367	S	S	.	.	H	α-helix	trans	-68	-40.2	177.2	-67.1	-4.8	0	0	0	111.2	F380 S382 K388 H389	F380-N385 HydrophobicContact CD1-CB 4.22Å; S382-N385 PolarHBondContact O-N 3.24Å; S382-N385 VanDerWaalsContact OG-CB 3.25Å; S382-N385 WeakPolarHBondContact OG-CB 3.46Å; S382-N385 PolarHBondContact OG-N 3.32Å; S382-N385 VanDerWaalsContact OG-N 3.1Å; S382-N385 PolarHBondContact OG-ND2 3.07Å; S382-N385 PolarHBondContact OG-OD1 2.74Å; N385-K388 PolarHBondContact O-N 2.72Å; N385-H389 WeakPolarHBondContact O-CB 3.36Å; N385-H389 PolarHBondContact O-N 3.48Å
386	M	84.6	Confident	81.2	Confident	37 Å²	37	67 Å²	67	18%	0.182	37%	0.366	C	S	.	.	H	α-helix	trans	-59.5	-47	172.1	175.8	-81.5	-65.1	0	0	111.3	F380 S382 K388 H389 M390	F380-M386 HydrophobicContact CB-CB 4.01Å; F380-M386 HydrophobicContact CD2-CB 3.77Å; F380-M386 HydrophobicContact CD2-CG 4.07Å; F380-M386 HydrophobicContact CG-CB 3.95Å; S382-M386 PolarHBondContact O-N 2.85Å; S382-M386 VanDerWaalsContact O-N 3.1Å; M386-K388 VanDerWaalsContact C-N 3.34Å; M386-K388 PolarHBondContact O-N 3.01Å; M386-H389 WeakPolarHBondContact O-CA 3.38Å; M386-H389 WeakPolarHBondContact O-CB 3.48Å; M386-H389 PolarHBondContact O-N 3.07Å; M386-H389 VanDerWaalsContact O-N 3.09Å; M386-M390 WeakPolarHBondContact O-CG 3.43Å; M386-M390 PolarHBondContact O-N 2.9Å; M386-M390 HydrophobicContact SD-CG 3.95Å
387	K	79.6	Confident	81.4	Confident	144 Å²	144	69.6 Å²	69.6	63%	0.626	37%	0.371	S	S	*	.	H	α-helix	trans	-61.1	-39.8	176.2	-77.5	-175	177.1	-164.5	0	113.2	C383 V384 H389 M390	C383-K387 WeakPolarHBondContact O-CB 3.48Å; C383-K387 WeakPolarHBondContact O-CG 3.23Å; C383-K387 PolarHBondContact O-N 2.98Å; V384-K387 PolarHBondContact O-N 3.25Å; K387-H389 VanDerWaalsContact C-N 3.33Å; K387-M390 PolarHBondContact O-N 3.08Å
388	K	80.9	Confident	81.7	Confident	89 Å²	89	70.7 Å²	70.7	39%	0.387	37%	0.369	S	S	.	.	H	α-helix	trans	-63.9	-41.1	173.4	-75.8	-173.3	173	-153.8	0	111.4	V384 N385 M386 M390 R391 D410	V384-K388 WeakPolarHBondContact O-CG 3.33Å; V384-K388 PolarHBondContact O-N 3.36Å; N385-K388 PolarHBondContact O-N 2.72Å; M386-K388 VanDerWaalsContact C-N 3.34Å; M386-K388 PolarHBondContact O-N 3.01Å; K388-M390 VanDerWaalsContact C-N 3.32Å; K388-M390 PolarHBondContact O-N 2.96Å; K388-R391 VanDerWaalsContact O-CB 3.32Å; K388-R391 WeakPolarHBondContact O-CB 3.35Å; K388-R391 WeakPolarHBondContact O-CG 3.44Å; K388-R391 PolarHBondContact O-N 3.09Å; K388-D410 IonicContact NZ-OD1 3.39Å; K388-D410 PolarHBondContact NZ-OD1 3.4Å
389	H	84.8	Confident	82.1	Confident	20 Å²	20	67.9 Å²	67.9	9%	0.093	36%	0.355	C	S	.	.	H	α-helix	trans	-63.4	-36.4	177.2	167.9	70.8	0	0	0	112.6	C376 F380 N385 M386 K387 R391 I392 H393	C376-H389 PolarHBondContact SG-NE2 2.85Å; F380-H389 HydrophobicContact CE1-CB 3.78Å; F380-H389 AromaticContact CE1-CG 3.95Å; F380-H389 HydrophobicContact CE2-CB 4.04Å; F380-H389 AromaticContact CE2-CD2 3.36Å; F380-H389 WeakPolarHBondContact CE2-CD2 3.44Å; F380-H389 AromaticContact CE2-CG 3.71Å; F380-H389 AromaticContact CE2-NE2 3.97Å; F380-H389 HydrophobicContact CZ-CB 3.44Å; F380-H389 VanDerWaalsContact CZ-CB 3.44Å; F380-H389 AromaticContact CZ-CD2 3.29Å; F380-H389 WeakPolarHBondContact CZ-CD2 3.46Å; F380-H389 AromaticContact CZ-CG 3.14Å; F380-H389 AromaticContact CZ-ND1 3.65Å; F380-H389 AromaticContact CZ-NE2 3.82Å; N385-H389 WeakPolarHBondContact O-CB 3.36Å; N385-H389 PolarHBondContact O-N 3.48Å; M386-H389 WeakPolarHBondContact O-CA 3.38Å; M386-H389 WeakPolarHBondContact O-CB 3.48Å; M386-H389 PolarHBondContact O-N 3.07Å; M386-H389 VanDerWaalsContact O-N 3.09Å; K387-H389 VanDerWaalsContact C-N 3.33Å; H389-R391 PolarHBondContact O-N 3.09Å; H389-I392 WeakPolarHBondContact O-CB 3.48Å; H389-I392 WeakPolarHBondContact O-CG1 3.19Å; H389-I392 PolarHBondContact O-N 2.8Å; H389-H393 AromaticContact CE1-NE2 3.77Å; H389-H393 AromaticContact NE2-CD2 3.94Å; H389-H393 AromaticContact NE2-NE2 3.36Å; H389-H393 PolarHBondContact NE2-NE2 2.69Å
390	M	80.8	Confident	82.3	Confident	53 Å²	53	68.2 Å²	68.2	26%	0.261	36%	0.357	S	S	.	.	H	α-helix	trans	-55.6	-25.2	176.6	-69.6	-54.8	-60.6	0	0	113.5	C373 M386 K387 K388 I392 H393 T394	C373-M390 HydrophobicContact CB-SD 4.5Å; M386-M390 WeakPolarHBondContact O-CG 3.43Å; M386-M390 PolarHBondContact O-N 2.9Å; M386-M390 HydrophobicContact SD-CG 3.95Å; K387-M390 PolarHBondContact O-N 3.08Å; K388-M390 VanDerWaalsContact C-N 3.32Å; K388-M390 PolarHBondContact O-N 2.96Å; M390-I392 PolarHBondContact O-N 3.46Å; M390-H393 PolarHBondContact O-N 3.24Å; M390-T394 PolarHBondContact O-N 3.5Å; M390-T394 PolarHBondContact O-OG1 3.34Å
391	R	85.5	Confident	82.8	Confident	54 Å²	54	66.4 Å²	66.4	20%	0.204	35%	0.35	C	S	.	.	H	α-helix	trans	-62.6	-21.5	175.4	-59.7	178.3	-176.7	172.7	-3.1	113.8	K388 H389 H393 T394 G395 E396 A409	K388-R391 VanDerWaalsContact O-CB 3.32Å; K388-R391 WeakPolarHBondContact O-CB 3.35Å; K388-R391 WeakPolarHBondContact O-CG 3.44Å; K388-R391 PolarHBondContact O-N 3.09Å; H389-R391 PolarHBondContact O-N 3.09Å; R391-H393 VanDerWaalsContact C-N 3.31Å; R391-T394 WeakPolarHBondContact CA-OG1 3.48Å; R391-G395 WeakPolarHBondContact O-CA 3.34Å; R391-G395 PolarHBondContact O-N 3.2Å; R391-E396 HydrophobicContact CG-CB 4.32Å; R391-A409 HydrophobicContact CB-CB 4.43Å; R391-A409 WeakPolarHBondContact CD-O 3.29Å; R391-A409 PolarHBondContact NH1-O 3.33Å
392	I	83.1	Confident	83.2	Confident	130 Å²	130	74.5 Å²	74.5	67%	0.667	38%	0.38	S	S	*	.	H	α-helix	trans	-69.8	-34.6	173.7	-58.2	178	0	0	0	110.3	H389 M390	H389-I392 WeakPolarHBondContact O-CB 3.48Å; H389-I392 WeakPolarHBondContact O-CG1 3.19Å; H389-I392 PolarHBondContact O-N 2.8Å; M390-I392 PolarHBondContact O-N 3.46Å
393	H	80.7	Confident	83.6	Confident	73 Å²	73	80.4 Å²	80.4	34%	0.338	41%	0.407	S	S	.	.	H	α-helix	trans	-84.2	-39.4	179.6	-63.3	-56.8	0	0	0	112.3	C373 T375 C376 H389 M390 R391	C373-H393 PolarHBondContact SG-NE2 3.19Å; T375-H393 HydrophobicContact CG2-CB 4.18Å; C376-H393 PolarHBondContact SG-NE2 3.21Å; H389-H393 AromaticContact CE1-NE2 3.77Å; H389-H393 AromaticContact NE2-CD2 3.94Å; H389-H393 AromaticContact NE2-NE2 3.36Å; H389-H393 PolarHBondContact NE2-NE2 2.69Å; M390-H393 PolarHBondContact O-N 3.24Å; R391-H393 VanDerWaalsContact C-N 3.31Å
394	T	80.9	Confident	84	Confident	77 Å²	77	81.1 Å²	81.1	47%	0.472	41%	0.412	S	S	.	.	H	α-helix	trans	-83.5	-14.1	-179.3	61.3	0	0	0	0	113.3	M390 R391 E396	M390-T394 PolarHBondContact O-N 3.5Å; M390-T394 PolarHBondContact O-OG1 3.34Å; R391-T394 WeakPolarHBondContact CA-OG1 3.48Å; T394-E396 PolarHBondContact O-N 2.99Å; T394-E396 WeakPolarHBondContact OG1-CG 3.4Å; T394-E396 PolarHBondContact OG1-N 3.35Å
395	G	82.4	Confident	84.3	Confident	49 Å²	49	79.7 Å²	79.7	51%	0.505	41%	0.413	S	S	.	.			trans	69.8	4.1	-173.9	0	0	0	0	0	114.3	R391 K397	R391-G395 WeakPolarHBondContact O-CA 3.34Å; R391-G395 PolarHBondContact O-N 3.2Å; G395-K397 PolarHBondContact O-N 2.88Å
396	E	82.4	Confident	84.5	Confident	114 Å²	114	82.1 Å²	82.1	53%	0.533	42%	0.42	S	S	.	.			trans	-59.2	122.1	-178.1	-77.6	177.2	-164.5	0	0	111.8	R391 T394 P398	R391-E396 HydrophobicContact CG-CB 4.32Å; T394-E396 PolarHBondContact O-N 2.99Å; T394-E396 WeakPolarHBondContact OG1-CG 3.4Å; T394-E396 PolarHBondContact OG1-N 3.35Å; E396-P398 WeakPolarHBondContact O-CD 3.35Å
397	K	86.1	Confident	84.8	Confident	106 Å²	106	85.3 Å²	85.3	46%	0.461	43%	0.434	S	S	.	.			trans	-120.5	82.2	174.5	-66.3	174.9	-173.2	173.2	0	111.1	G395 Y399 E407 F408 A409	G395-K397 PolarHBondContact O-N 2.88Å; K397-Y399 PolarHBondContact O-N 3.12Å; K397-E407 HydrophobicContact CB-CB 3.7Å; K397-E407 HydrophobicContact CD-CB 3.62Å; K397-E407 HydrophobicContact CG-CB 4.31Å; K397-F408 CarbonylContact C-O 3.54Å; K397-F408 WeakPolarHBondContact CA-O 3.48Å; K397-A409 HydrophobicContact CG-CB 4.35Å
398	P	85.4	Confident	85.1	Confident	70 Å²	70	80.4 Å²	80.4	46%	0.455	41%	0.413	S	S	.	.			trans	-69.5	-6.1	-170.8	-20.3	33.6	0	0	0	115.5	E396	E396-P398 WeakPolarHBondContact O-CD 3.35Å
399	Y	88.5	Confident	85.3	Confident	70 Å²	70	78.2 Å²	78.2	28%	0.275	41%	0.412	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	102.8	-173	-53.4	-77.4	0	0	0	110.1	K397 E407 F408 S411 F414	K397-Y399 PolarHBondContact O-N 3.12Å; Y399-E407 CarbonylContact O-C 3.56Å; Y399-E407 WeakPolarHBondContact O-CA 3.46Å; Y399-F408 WeakPolarHBondContact CD2-O 3.32Å; Y399-F408 PolarHBondContact N-O 2.98Å; Y399-F408 PolarHBondContact O-N 3.21Å; Y399-S411 VanDerWaalsContact CE2-N 3.3Å; Y399-F414 HydrophobicContact CD1-CD1 4.4Å; Y399-F414 HydrophobicContact CG-CB 4.31Å; Y399-F414 HydrophobicContact CG-CD1 4.49Å; Y399-F414 HydrophobicContact CG-CG 4.49Å
400	T	87.1	Confident	85.2	Confident	71 Å²	71	79.4 Å²	79.4	44%	0.436	42%	0.418	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.6	130.7	180	-49.9	0	0	0	0	110.5	E407	T400-E407 HydrophobicContact CG2-CG 4.11Å
401	C	90.4	Very high	85.4	Confident	1 Å²	1	79.4 Å²	79.4	1%	0.007	42%	0.424	C	S	.	.			trans	-76.8	121.3	171.1	-171.3	0	0	0	0	109.9	E403 G405 K406 F408 F414 H417	C401-E403 VanDerWaalsContact C-N 3.29Å; C401-E403 PolarHBondContact O-N 2.98Å; C401-G405 WeakPolarHBondContact O-CA 3.19Å; C401-G405 PolarHBondContact O-N 3.24Å; C401-K406 WeakPolarHBondContact CB-O 3.47Å; C401-K406 PolarHBondContact N-O 3.36Å; C401-F408 HydrophobicContact CB-CE2 4.49Å; C401-F414 HydrophobicContact CB-CE2 3.94Å; C401-H417 PolarHBondContact SG-NE2 3.21Å; C401-H417 VanDerWaalsContact SG-NE2 3.42Å
402	K	88.1	Confident	85.4	Confident	210 Å²	210	80 Å²	80	91%	0.913	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-26.2	177.9	-63.4	-169.6	178.4	-172.8	0	112.8
403	E	86.1	Confident	85.5	Confident	128 Å²	128	75.9 Å²	75.9	60%	0.598	42%	0.422	S	S	*	.	T	Hydrogen-bonded Turn	trans	-82	-30.5	-175.3	-66.7	174	162.3	0	0	113.2	C401 H421	C401-E403 VanDerWaalsContact C-N 3.29Å; C401-E403 PolarHBondContact O-N 2.98Å; E403-H421 WeakPolarHBondContact OE2-CB 3.44Å; E403-H421 IonicContact OE2-CD2 2.94Å; E403-H421 PolarHBondContact OE2-CD2 3.06Å; E403-H421 IonicContact OE2-CG 3.55Å; E403-H421 IonicContact OE2-ND1 3.16Å; E403-H421 IonicContact OE2-NE2 3.95Å
404	C	87.4	Confident	85.8	Confident	52 Å²	52	74.3 Å²	74.3	35%	0.351	41%	0.414	S	S	.	.	T	Hydrogen-bonded Turn	trans	-133.1	8.4	-179.7	68.4	0	0	0	0	114.9	K406 H417 H421	C404-K406 PolarHBondContact O-N 3.25Å; C404-H417 PolarHBondContact SG-CE1 3.37Å; C404-H417 PolarHBondContact SG-NE2 3.43Å; C404-H421 PolarHBondContact SG-NE2 3.11Å
405	G	84.6	Confident	86.1	Confident	48 Å²	48	77 Å²	77	50%	0.495	42%	0.419	S	S	.	.			trans	68.3	-5.5	179.6	0	0	0	0	0	115.4	C401 E407	C401-G405 WeakPolarHBondContact O-CA 3.19Å; C401-G405 PolarHBondContact O-N 3.24Å; G405-E407 PolarHBondContact O-N 3.43Å
406	K	86	Confident	86.2	Confident	128 Å²	128	77.5 Å²	77.5	56%	0.557	41%	0.41	S	S	*	.			trans	-64.8	133.7	-177	-72.7	-178.7	-178	173.6	0	111.7	C401 C404 F408	C401-K406 WeakPolarHBondContact CB-O 3.47Å; C401-K406 PolarHBondContact N-O 3.36Å; C404-K406 PolarHBondContact O-N 3.25Å; K406-F408 HydrophobicContact CB-CE2 3.71Å; K406-F408 HydrophobicContact CB-CZ 3.94Å; K406-F408 WeakPolarHBondContact O-CD2 3.47Å; K406-F408 WeakPolarHBondContact O-CE2 3.34Å
407	E	89.7	Confident	86.5	Confident	105 Å²	105	73.2 Å²	73.2	49%	0.491	39%	0.39	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	143.4	-178.5	-58	-173.1	153.6	0	0	112.4	K397 Y399 T400 G405	K397-E407 HydrophobicContact CB-CB 3.7Å; K397-E407 HydrophobicContact CD-CB 3.62Å; K397-E407 HydrophobicContact CG-CB 4.31Å; Y399-E407 CarbonylContact O-C 3.56Å; Y399-E407 WeakPolarHBondContact O-CA 3.46Å; T400-E407 HydrophobicContact CG2-CG 4.11Å; G405-E407 PolarHBondContact O-N 3.43Å
408	F	85.9	Confident	86.5	Confident	41 Å²	41	70.9 Å²	70.9	18%	0.18	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.1	139.7	-175.7	-59.8	-92.6	0	0	0	111.7	K397 Y399 C401 K406 A413 F414 H417	K397-F408 CarbonylContact C-O 3.54Å; K397-F408 WeakPolarHBondContact CA-O 3.48Å; Y399-F408 WeakPolarHBondContact CD2-O 3.32Å; Y399-F408 PolarHBondContact N-O 2.98Å; Y399-F408 PolarHBondContact O-N 3.21Å; C401-F408 HydrophobicContact CB-CE2 4.49Å; K406-F408 HydrophobicContact CB-CE2 3.71Å; K406-F408 HydrophobicContact CB-CZ 3.94Å; K406-F408 WeakPolarHBondContact O-CD2 3.47Å; K406-F408 WeakPolarHBondContact O-CE2 3.34Å; F408-A413 HydrophobicContact CD1-CB 4.23Å; F408-F414 HydrophobicContact CB-CB 4.01Å; F408-F414 HydrophobicContact CD2-CB 4.25Å; F408-F414 AromaticContact CD2-CD2 3.69Å; F408-F414 HydrophobicContact CD2-CD2 3.69Å; F408-F414 HydrophobicContact CD2-CG 4.45Å; F408-F414 HydrophobicContact CE2-CD2 4.18Å; F408-F414 HydrophobicContact CG-CB 4.18Å; F408-F414 HydrophobicContact CG-CD2 4.44Å; F408-H417 HydrophobicContact CE1-CB 3.83Å; F408-H417 HydrophobicContact CE2-CB 4Å; F408-H417 AromaticContact CE2-CD2 3.24Å; F408-H417 WeakPolarHBondContact CE2-CD2 3.23Å; F408-H417 AromaticContact CE2-CG 3.59Å; F408-H417 AromaticContact CE2-NE2 3.81Å; F408-H417 HydrophobicContact CZ-CB 3.46Å; F408-H417 VanDerWaalsContact CZ-CB 3.46Å; F408-H417 AromaticContact CZ-CD2 3.36Å; F408-H417 WeakPolarHBondContact CZ-CD2 3.45Å; F408-H417 AromaticContact CZ-CG 3.17Å; F408-H417 AromaticContact CZ-ND1 3.66Å; F408-H417 AromaticContact CZ-NE2 3.89Å
409	A	84.7	Confident	86.6	Confident	43 Å²	43	69.4 Å²	69.4	36%	0.355	37%	0.368	S	S	.	.	S	Bend	trans	-81.4	-19.6	176.5	0	0	0	0	0	113.7	R391 K397	R391-A409 HydrophobicContact CB-CB 4.43Å; R391-A409 WeakPolarHBondContact CD-O 3.29Å; R391-A409 PolarHBondContact NH1-O 3.33Å; K397-A409 HydrophobicContact CG-CB 4.35Å
410	D	83.8	Confident	86.4	Confident	44 Å²	44	71.2 Å²	71.2	24%	0.235	39%	0.386	C	S	.	.	S	Bend	trans	-126.5	137.7	179.8	-174.9	73.8	0	0	0	112.4	K388 S412 A413 F414	K388-D410 IonicContact NZ-OD1 3.39Å; K388-D410 PolarHBondContact NZ-OD1 3.4Å; D410-S412 VanDerWaalsContact C-N 3.29Å; D410-S412 PolarHBondContact O-N 3.41Å; D410-S412 WeakPolarHBondContact OD2-CA 3.42Å; D410-S412 WeakPolarHBondContact OD2-CB 3.32Å; D410-S412 PolarHBondContact OD2-N 3.24Å; D410-S412 PolarHBondContact OD2-OG 2.91Å; D410-A413 HydrophobicContact CB-CB 4.37Å; D410-A413 PolarHBondContact O-N 3.05Å; D410-A413 PolarHBondContact OD2-N 2.86Å; D410-F414 PolarHBondContact O-N 3Å
411	S	84.8	Confident	86.3	Confident	53 Å²	53	71.5 Å²	71.5	37%	0.371	38%	0.382	S	S	.	.	H	α-helix	trans	-62.7	-32.5	-179.1	180	0	0	0	0	113.2	Y399 F414 K415	Y399-S411 VanDerWaalsContact CE2-N 3.3Å; S411-F414 PolarHBondContact O-N 3.29Å; S411-K415 WeakPolarHBondContact O-CB 3.19Å; S411-K415 PolarHBondContact O-N 3.23Å
412	S	85.3	Confident	85.9	Confident	67 Å²	67	75.4 Å²	75.4	47%	0.469	41%	0.406	S	S	.	.	H	α-helix	trans	-73.2	-38.8	179.9	-28.3	0	0	0	0	110.8	D410 K415 N416	D410-S412 VanDerWaalsContact C-N 3.29Å; D410-S412 PolarHBondContact O-N 3.41Å; D410-S412 WeakPolarHBondContact OD2-CA 3.42Å; D410-S412 WeakPolarHBondContact OD2-CB 3.32Å; D410-S412 PolarHBondContact OD2-N 3.24Å; D410-S412 PolarHBondContact OD2-OG 2.91Å; S412-K415 PolarHBondContact O-N 3.05Å; S412-N416 WeakPolarHBondContact O-CB 3.42Å; S412-N416 VanDerWaalsContact O-CG 3.22Å; S412-N416 PolarHBondContact O-N 3.38Å; S412-N416 PolarHBondContact O-ND2 3.42Å
413	A	85.3	Confident	85.6	Confident	44 Å²	44	67.6 Å²	67.6	36%	0.364	39%	0.386	S	S	.	.	H	α-helix	trans	-63.1	-45.9	172.9	0	0	0	0	0	110.6	F408 D410 N416 H417	F408-A413 HydrophobicContact CD1-CB 4.23Å; D410-A413 HydrophobicContact CB-CB 4.37Å; D410-A413 PolarHBondContact O-N 3.05Å; D410-A413 PolarHBondContact OD2-N 2.86Å; A413-N416 PolarHBondContact O-N 3.39Å; A413-H417 WeakPolarHBondContact O-CB 3.44Å; A413-H417 PolarHBondContact O-N 2.97Å
414	F	87.9	Confident	85.5	Confident	40 Å²	40	66.9 Å²	66.9	18%	0.175	38%	0.382	C	S	.	.	H	α-helix	trans	-57.5	-49.9	173.8	177.2	-120.3	0	0	0	112.4	Y399 C401 F408 D410 S411 N416 H417 L418	Y399-F414 HydrophobicContact CD1-CD1 4.4Å; Y399-F414 HydrophobicContact CG-CB 4.31Å; Y399-F414 HydrophobicContact CG-CD1 4.49Å; Y399-F414 HydrophobicContact CG-CG 4.49Å; C401-F414 HydrophobicContact CB-CE2 3.94Å; F408-F414 HydrophobicContact CB-CB 4.01Å; F408-F414 HydrophobicContact CD2-CB 4.25Å; F408-F414 AromaticContact CD2-CD2 3.69Å; F408-F414 HydrophobicContact CD2-CD2 3.69Å; F408-F414 HydrophobicContact CD2-CG 4.45Å; F408-F414 HydrophobicContact CE2-CD2 4.18Å; F408-F414 HydrophobicContact CG-CB 4.18Å; F408-F414 HydrophobicContact CG-CD2 4.44Å; D410-F414 PolarHBondContact O-N 3Å; S411-F414 PolarHBondContact O-N 3.29Å; F414-N416 VanDerWaalsContact C-N 3.31Å; F414-N416 PolarHBondContact O-N 3.33Å; F414-H417 WeakPolarHBondContact O-CA 3.35Å; F414-H417 WeakPolarHBondContact O-CB 3.49Å; F414-H417 PolarHBondContact O-N 3.09Å; F414-L418 HydrophobicContact CD1-CD1 4.33Å; F414-L418 HydrophobicContact CE1-CD1 3.79Å; F414-L418 HydrophobicContact CE1-CG 4.34Å; F414-L418 HydrophobicContact CE2-CD1 4.39Å; F414-L418 HydrophobicContact CE2-CD2 3.88Å; F414-L418 HydrophobicContact CE2-CG 4.09Å; F414-L418 HydrophobicContact CZ-CD1 3.83Å; F414-L418 HydrophobicContact CZ-CD2 3.88Å; F414-L418 HydrophobicContact CZ-CG 4.02Å; F414-L418 PolarHBondContact O-N 2.82Å
415	K	85.6	Confident	85.5	Confident	133 Å²	133	70.4 Å²	70.4	58%	0.578	39%	0.391	S	S	*	.	H	α-helix	trans	-62.2	-37.1	178.9	-171.4	172.6	-175.1	173.2	0	112.8	S411 S412 H417	S411-K415 WeakPolarHBondContact O-CB 3.19Å; S411-K415 PolarHBondContact O-N 3.23Å; S412-K415 PolarHBondContact O-N 3.05Å; K415-H417 VanDerWaalsContact C-N 3.34Å
416	N	85.8	Confident	85.5	Confident	60 Å²	60	71.3 Å²	71.3	32%	0.321	39%	0.389	S	S	.	.	H	α-helix	trans	-70.1	-33.4	174.3	-71.3	-28.5	0	0	0	111.8	S412 A413 F414 R419 T438	S412-N416 WeakPolarHBondContact O-CB 3.42Å; S412-N416 VanDerWaalsContact O-CG 3.22Å; S412-N416 PolarHBondContact O-N 3.38Å; S412-N416 PolarHBondContact O-ND2 3.42Å; A413-N416 PolarHBondContact O-N 3.39Å; F414-N416 VanDerWaalsContact C-N 3.31Å; F414-N416 PolarHBondContact O-N 3.33Å; N416-R419 WeakPolarHBondContact O-CB 3.38Å; N416-R419 PolarHBondContact O-N 2.87Å; N416-R419 PolarHBondContact OD1-NH1 2.8Å; N416-T438 HydrophobicContact CB-CG2 4.19Å
417	H	87.8	Confident	85.6	Confident	23 Å²	23	67.9 Å²	67.9	11%	0.106	37%	0.374	C	S	.	.	H	α-helix	trans	-67	-39.9	174.7	166.2	67.9	0	0	0	112.2	C401 C404 F408 A413 F414 K415 R419 V420 H421	C401-H417 PolarHBondContact SG-NE2 3.21Å; C401-H417 VanDerWaalsContact SG-NE2 3.42Å; C404-H417 PolarHBondContact SG-CE1 3.37Å; C404-H417 PolarHBondContact SG-NE2 3.43Å; F408-H417 HydrophobicContact CE1-CB 3.83Å; F408-H417 HydrophobicContact CE2-CB 4Å; F408-H417 AromaticContact CE2-CD2 3.24Å; F408-H417 WeakPolarHBondContact CE2-CD2 3.23Å; F408-H417 AromaticContact CE2-CG 3.59Å; F408-H417 AromaticContact CE2-NE2 3.81Å; F408-H417 HydrophobicContact CZ-CB 3.46Å; F408-H417 VanDerWaalsContact CZ-CB 3.46Å; F408-H417 AromaticContact CZ-CD2 3.36Å; F408-H417 WeakPolarHBondContact CZ-CD2 3.45Å; F408-H417 AromaticContact CZ-CG 3.17Å; F408-H417 AromaticContact CZ-ND1 3.66Å; F408-H417 AromaticContact CZ-NE2 3.89Å; A413-H417 WeakPolarHBondContact O-CB 3.44Å; A413-H417 PolarHBondContact O-N 2.97Å; F414-H417 WeakPolarHBondContact O-CA 3.35Å; F414-H417 WeakPolarHBondContact O-CB 3.49Å; F414-H417 PolarHBondContact O-N 3.09Å; K415-H417 VanDerWaalsContact C-N 3.34Å; H417-R419 PolarHBondContact O-N 2.75Å; H417-V420 WeakPolarHBondContact O-CB 3.36Å; H417-V420 WeakPolarHBondContact O-CG2 3.4Å; H417-V420 PolarHBondContact O-N 3.41Å; H417-H421 AromaticContact CE1-NE2 3.41Å; H417-H421 PolarHBondContact CE1-NE2 3.3Å; H417-H421 AromaticContact NE2-CD2 3.88Å; H417-H421 AromaticContact NE2-NE2 3.29Å; H417-H421 PolarHBondContact NE2-NE2 3.44Å
418	L	86.1	Confident	85.5	Confident	58 Å²	58	69.9 Å²	69.9	30%	0.304	38%	0.381	S	S	.	.	H	α-helix	trans	-57.7	-23.3	174.4	-66.7	178.9	0	0	0	113.3	F414 V420 H421 T422	F414-L418 HydrophobicContact CD1-CD1 4.33Å; F414-L418 HydrophobicContact CE1-CD1 3.79Å; F414-L418 HydrophobicContact CE1-CG 4.34Å; F414-L418 HydrophobicContact CE2-CD1 4.39Å; F414-L418 HydrophobicContact CE2-CD2 3.88Å; F414-L418 HydrophobicContact CE2-CG 4.09Å; F414-L418 HydrophobicContact CZ-CD1 3.83Å; F414-L418 HydrophobicContact CZ-CD2 3.88Å; F414-L418 HydrophobicContact CZ-CG 4.02Å; F414-L418 PolarHBondContact O-N 2.82Å; L418-V420 PolarHBondContact O-N 3.08Å; L418-H421 PolarHBondContact O-N 3.03Å; L418-T422 PolarHBondContact O-N 2.9Å; L418-T422 VanDerWaalsContact O-N 3.11Å; L418-T422 PolarHBondContact O-OG1 3.33Å
419	R	87.3	Confident	85.7	Confident	38 Å²	38	68.6 Å²	68.6	14%	0.143	38%	0.377	C	S	.	.	H	α-helix	trans	-70.3	-17.8	173.5	-62	-174.9	-179.6	138.4	7.4	114	N416 H417 T422 G423 E424 A437	N416-R419 WeakPolarHBondContact O-CB 3.38Å; N416-R419 PolarHBondContact O-N 2.87Å; N416-R419 PolarHBondContact OD1-NH1 2.8Å; H417-R419 PolarHBondContact O-N 2.75Å; R419-T422 WeakPolarHBondContact CA-OG1 3.33Å; R419-G423 WeakPolarHBondContact O-CA 3.36Å; R419-G423 PolarHBondContact O-N 3.2Å; R419-E424 HydrophobicContact CB-CB 4.47Å; R419-E424 HydrophobicContact CG-CB 4.22Å; R419-E424 PolarHBondContact O-N 3.37Å; R419-A437 HydrophobicContact CB-CB 4.46Å; R419-A437 WeakPolarHBondContact CD-O 3.34Å; R419-A437 PolarHBondContact NH1-O 2.99Å
420	V	85.3	Confident	85.9	Confident	108 Å²	108	71.1 Å²	71.1	66%	0.655	39%	0.392	S	S	*	.	H	α-helix	trans	-69.8	-41	174.3	-179.3	0	0	0	0	109.7	H417 L418	H417-V420 WeakPolarHBondContact O-CB 3.36Å; H417-V420 WeakPolarHBondContact O-CG2 3.4Å; H417-V420 PolarHBondContact O-N 3.41Å; L418-V420 PolarHBondContact O-N 3.08Å
421	H	83.9	Confident	85.9	Confident	77 Å²	77	76 Å²	76	36%	0.356	41%	0.408	S	S	.	.	H	α-helix	trans	-76.2	-45.6	178.9	-61.5	-63.9	0	0	0	112.4	E403 C404 H417 L418 G423	E403-H421 WeakPolarHBondContact OE2-CB 3.44Å; E403-H421 IonicContact OE2-CD2 2.94Å; E403-H421 PolarHBondContact OE2-CD2 3.06Å; E403-H421 IonicContact OE2-CG 3.55Å; E403-H421 IonicContact OE2-ND1 3.16Å; E403-H421 IonicContact OE2-NE2 3.95Å; C404-H421 PolarHBondContact SG-NE2 3.11Å; H417-H421 AromaticContact CE1-NE2 3.41Å; H417-H421 PolarHBondContact CE1-NE2 3.3Å; H417-H421 AromaticContact NE2-CD2 3.88Å; H417-H421 AromaticContact NE2-NE2 3.29Å; H417-H421 PolarHBondContact NE2-NE2 3.44Å; L418-H421 PolarHBondContact O-N 3.03Å; H421-G423 VanDerWaalsContact C-N 3.27Å; H421-G423 PolarHBondContact O-N 3.19Å
422	T	82.3	Confident	86.1	Confident	83 Å²	83	75.3 Å²	75.3	51%	0.509	40%	0.403	S	S	.	.	H	α-helix	trans	-76.9	-11.8	-179.4	54	0	0	0	0	113.8	L418 R419 E424	L418-T422 PolarHBondContact O-N 2.9Å; L418-T422 VanDerWaalsContact O-N 3.11Å; L418-T422 PolarHBondContact O-OG1 3.33Å; R419-T422 WeakPolarHBondContact CA-OG1 3.33Å; T422-E424 PolarHBondContact O-N 3.48Å; T422-E424 VanDerWaalsContact O-N 3.1Å
423	G	82.4	Confident	86.2	Confident	47 Å²	47	82.2 Å²	82.2	49%	0.485	42%	0.424	S	S	.	.			trans	66.7	5.1	-175.4	0	0	0	0	0	114.8	R419 H421 K425	R419-G423 WeakPolarHBondContact O-CA 3.36Å; R419-G423 PolarHBondContact O-N 3.2Å; H421-G423 VanDerWaalsContact C-N 3.27Å; H421-G423 PolarHBondContact O-N 3.19Å; G423-K425 PolarHBondContact O-N 2.74Å
424	E	84.2	Confident	86.3	Confident	113 Å²	113	86.5 Å²	86.5	53%	0.528	44%	0.435	S	S	.	.			trans	-60	120.5	-177.5	-75.9	-172.3	175.3	0	0	111.7	R419 T422 P426	R419-E424 HydrophobicContact CB-CB 4.47Å; R419-E424 HydrophobicContact CG-CB 4.22Å; R419-E424 PolarHBondContact O-N 3.37Å; T422-E424 PolarHBondContact O-N 3.48Å; T422-E424 VanDerWaalsContact O-N 3.1Å; E424-P426 WeakPolarHBondContact O-CD 3.31Å
425	K	86.1	Confident	86.4	Confident	125 Å²	125	90 Å²	90	54%	0.543	45%	0.45	S	S	.	.			trans	-119.9	77.4	174.6	-68.6	173.9	-177.6	176.6	0	110.8	G423 F427 K435 F436	G423-K425 PolarHBondContact O-N 2.74Å; K425-F427 PolarHBondContact O-N 3Å; K425-K435 HydrophobicContact CB-CB 3.71Å; K425-K435 HydrophobicContact CD-CB 4.38Å; K425-F436 CarbonylContact C-O 3.53Å; K425-F436 WeakPolarHBondContact CA-O 3.46Å
426	P	85.2	Confident	86.4	Confident	67 Å²	67	85.6 Å²	85.6	44%	0.435	43%	0.431	S	S	.	.			trans	-69.2	-20.3	-171.3	-19.7	33.1	0	0	0	114.2	E424	E424-P426 WeakPolarHBondContact O-CD 3.31Å
427	F	87.3	Confident	86.3	Confident	56 Å²	56	84.2 Å²	84.2	25%	0.246	43%	0.428	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	106.9	-170.5	-57.1	-76.8	0	0	0	110.2	K425 K435 F436 T438 R439 L442	K425-F427 PolarHBondContact O-N 3Å; F427-K435 CarbonylContact O-C 3.55Å; F427-K435 WeakPolarHBondContact O-CA 3.32Å; F427-F436 HydrophobicContact CB-CB 4.48Å; F427-F436 PolarHBondContact N-O 3.05Å; F427-F436 VanDerWaalsContact N-O 3.16Å; F427-F436 PolarHBondContact O-N 3.09Å; F427-T438 VanDerWaalsContact CD2-C 3.43Å; F427-R439 HydrophobicContact CD1-CB 4.07Å; F427-R439 HydrophobicContact CD1-CG 4.45Å; F427-R439 HydrophobicContact CE1-CB 3.89Å; F427-R439 HydrophobicContact CE1-CG 4.45Å; F427-R439 HydrophobicContact CE2-CB 4.49Å; F427-R439 HydrophobicContact CG-CB 4.44Å; F427-R439 HydrophobicContact CZ-CB 4.11Å; F427-L442 HydrophobicContact CB-CB 4.18Å; F427-L442 HydrophobicContact CB-CD2 3.8Å
428	K	88.3	Confident	86.2	Confident	148 Å²	148	84.3 Å²	84.3	64%	0.643	43%	0.43	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-89.7	142.8	179.1	-53.5	-177.2	-176.2	174.6	0	110.4	K435 L442	K428-K435 HydrophobicContact CG-CD 4.34Å; K428-K435 HydrophobicContact CG-CG 4.14Å; K428-L442 WeakPolarHBondContact O-CD2 3.5Å
429	C	90.4	Very high	86.2	Confident	13 Å²	13	89.2 Å²	89.2	9%	0.088	44%	0.444	C	S	.	.			trans	-74.8	142	169	-171.1	0	0	0	0	110.5	Y431 C432 K434 F436 L442	C429-Y431 PolarHBondContact SG-N 3.36Å; C429-C432 WeakPolarHBondContact CB-O 3.35Å; C429-K434 WeakPolarHBondContact CB-O 3.44Å; C429-K434 PolarHBondContact N-O 2.97Å; C429-F436 HydrophobicContact CB-CE2 4.34Å; C429-L442 HydrophobicContact CB-CD1 3.86Å
430	S	88.5	Confident	86	Confident	97 Å²	97	92.5 Å²	92.5	68%	0.678	47%	0.469	S	S	*	.	S	Bend	trans	-79.7	-28.3	174.8	48.4	0	0	0	0	112.6
431	Y	83.8	Confident	86.1	Confident	146 Å²	146	89.1 Å²	89.1	57%	0.573	45%	0.449	S	S	*	.	S	Bend	trans	-92.7	-16.1	-176.3	-61	-84.6	0	0	0	113.4	C429 I446 H449 T450	C429-Y431 PolarHBondContact SG-N 3.36Å; Y431-I446 HydrophobicContact CD2-CG2 4.33Å; Y431-I446 HydrophobicContact CE2-CG2 3.96Å; Y431-H449 HydrophobicContact CD1-CB 4.45Å; Y431-H449 HydrophobicContact CD2-CB 4.19Å; Y431-H449 HydrophobicContact CG-CB 3.97Å; Y431-T450 HydrophobicContact CE2-CG2 4.5Å
432	C	89.8	Confident	86.3	Confident	39 Å²	39	86.4 Å²	86.4	26%	0.264	44%	0.437	S	S	.	.	S	Bend	trans	-153.4	169.7	178.7	75.7	0	0	0	0	112.2	C429 K434 H445	C429-C432 WeakPolarHBondContact CB-O 3.35Å; C432-K434 PolarHBondContact O-N 3.26Å; C432-K434 VanDerWaalsContact O-N 3.13Å; C432-H445 PolarHBondContact SG-NE2 3.1Å
433	K	86.8	Confident	86.5	Confident	211 Å²	211	88.6 Å²	88.6	92%	0.917	44%	0.439	S	S	*	.	S	Bend	trans	-72.8	-1.2	-178.2	-60.2	-174.2	-178.2	177.5	0	114.4
434	K	86.8	Confident	86.7	Confident	134 Å²	134	92.5 Å²	92.5	58%	0.583	44%	0.439	S	S	*	.			trans	-69.4	136.6	-177.4	-67.8	-175.8	176.1	176.7	0	111.6	C429 C432 F436	C429-K434 WeakPolarHBondContact CB-O 3.44Å; C429-K434 PolarHBondContact N-O 2.97Å; C432-K434 PolarHBondContact O-N 3.26Å; C432-K434 VanDerWaalsContact O-N 3.13Å; K434-F436 HydrophobicContact CB-CE2 3.8Å; K434-F436 HydrophobicContact CB-CZ 3.92Å
435	K	90	Very high	86.8	Confident	114 Å²	114	88.3 Å²	88.3	50%	0.496	42%	0.42	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	148.5	176.9	-53	-176.9	-175	165.1	0	110.5	K425 F427 K428	K425-K435 HydrophobicContact CB-CB 3.71Å; K425-K435 HydrophobicContact CD-CB 4.38Å; F427-K435 CarbonylContact O-C 3.55Å; F427-K435 WeakPolarHBondContact O-CA 3.32Å; K428-K435 HydrophobicContact CG-CD 4.34Å; K428-K435 HydrophobicContact CG-CG 4.14Å
436	F	86.7	Confident	86.9	Confident	40 Å²	40	84.4 Å²	84.4	18%	0.175	40%	0.404	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	147.2	-173.8	-61.7	-89.3	0	0	0	111.8	K425 F427 C429 K434 T438 L442 H445	K425-F436 CarbonylContact C-O 3.53Å; K425-F436 WeakPolarHBondContact CA-O 3.46Å; F427-F436 HydrophobicContact CB-CB 4.48Å; F427-F436 PolarHBondContact N-O 3.05Å; F427-F436 VanDerWaalsContact N-O 3.16Å; F427-F436 PolarHBondContact O-N 3.09Å; C429-F436 HydrophobicContact CB-CE2 4.34Å; K434-F436 HydrophobicContact CB-CE2 3.8Å; K434-F436 HydrophobicContact CB-CZ 3.92Å; F436-T438 VanDerWaalsContact C-N 3.34Å; F436-L442 HydrophobicContact CB-CB 4.13Å; F436-L442 HydrophobicContact CD2-CB 4.05Å; F436-L442 HydrophobicContact CD2-CD1 3.68Å; F436-L442 HydrophobicContact CD2-CG 4.46Å; F436-L442 HydrophobicContact CE2-CD1 3.98Å; F436-L442 HydrophobicContact CG-CB 4.2Å; F436-H445 HydrophobicContact CE1-CB 3.81Å; F436-H445 HydrophobicContact CE2-CB 3.93Å; F436-H445 AromaticContact CE2-CD2 3.25Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.45Å; F436-H445 AromaticContact CE2-CG 3.66Å; F436-H445 AromaticContact CE2-NE2 4Å; F436-H445 HydrophobicContact CZ-CB 3.41Å; F436-H445 VanDerWaalsContact CZ-CB 3.41Å; F436-H445 AromaticContact CZ-CD2 3.24Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.39Å; F436-H445 AromaticContact CZ-CG 3.17Å; F436-H445 AromaticContact CZ-ND1 3.83Å; F436-H445 AromaticContact CZ-NE2 3.88Å
437	A	83.8	Confident	87	Confident	31 Å²	31	84.2 Å²	84.2	26%	0.256	40%	0.395	S	S	.	.	S	Bend	trans	-75.7	-21.5	179.5	0	0	0	0	0	113.1	R419	R419-A437 HydrophobicContact CB-CB 4.46Å; R419-A437 WeakPolarHBondContact CD-O 3.34Å; R419-A437 PolarHBondContact NH1-O 2.99Å
438	T	85.2	Confident	87	Confident	25 Å²	25	86.1 Å²	86.1	15%	0.153	41%	0.411	C	S	.	.	S	Bend	trans	-137.8	150.5	-178.6	66.2	0	0	0	0	112.5	N416 F427 F436 T440 T441 L442	N416-T438 HydrophobicContact CB-CG2 4.19Å; F427-T438 VanDerWaalsContact CD2-C 3.43Å; F436-T438 VanDerWaalsContact C-N 3.34Å; T438-T440 VanDerWaalsContact C-N 3.27Å; T438-T440 PolarHBondContact O-N 3.09Å; T438-T440 PolarHBondContact OG1-OG1 2.73Å; T438-T441 PolarHBondContact O-N 2.92Å; T438-T441 PolarHBondContact O-OG1 3.27Å; T438-T441 VanDerWaalsContact OG1-CG2 3.29Å; T438-T441 WeakPolarHBondContact OG1-CG2 3.37Å; T438-T441 PolarHBondContact OG1-N 3.36Å; T438-T441 PolarHBondContact OG1-OG1 3.37Å; T438-L442 PolarHBondContact O-N 3.39Å; T438-L442 VanDerWaalsContact O-N 3.13Å
439	R	85.2	Confident	86.9	Confident	161 Å²	161	82.8 Å²	82.8	61%	0.608	40%	0.398	S	S	*	.	H	α-helix	trans	-66.5	-28	178.9	-169.9	152.8	60.7	106.6	-1.5	113.4	F427 K443	F427-R439 HydrophobicContact CD1-CB 4.07Å; F427-R439 HydrophobicContact CD1-CG 4.45Å; F427-R439 HydrophobicContact CE1-CB 3.89Å; F427-R439 HydrophobicContact CE1-CG 4.45Å; F427-R439 HydrophobicContact CE2-CB 4.49Å; F427-R439 HydrophobicContact CG-CB 4.44Å; F427-R439 HydrophobicContact CZ-CB 4.11Å; R439-K443 PolarHBondContact O-N 3.25Å
440	T	84.8	Confident	86.6	Confident	107 Å²	107	84.8 Å²	84.8	66%	0.656	41%	0.41	S	S	*	.	H	α-helix	trans	-69.5	-40.7	176.3	49.2	0	0	0	0	111.8	T438 K443 R444	T438-T440 VanDerWaalsContact C-N 3.27Å; T438-T440 PolarHBondContact O-N 3.09Å; T438-T440 PolarHBondContact OG1-OG1 2.73Å; T440-K443 PolarHBondContact O-N 3.28Å; T440-R444 VanDerWaalsContact O-CB 3.3Å; T440-R444 WeakPolarHBondContact O-CB 3.35Å; T440-R444 PolarHBondContact O-N 3.43Å
441	T	86.2	Confident	86.4	Confident	37 Å²	37	82.7 Å²	82.7	23%	0.227	40%	0.403	C	S	.	.	H	α-helix	trans	-69.8	-37	176.5	52.4	0	0	0	0	111.5	T438 R444 H445	T438-T441 PolarHBondContact O-N 2.92Å; T438-T441 PolarHBondContact O-OG1 3.27Å; T438-T441 VanDerWaalsContact OG1-CG2 3.29Å; T438-T441 WeakPolarHBondContact OG1-CG2 3.37Å; T438-T441 PolarHBondContact OG1-N 3.36Å; T438-T441 PolarHBondContact OG1-OG1 3.37Å; T441-R444 PolarHBondContact O-N 3.18Å; T441-H445 WeakPolarHBondContact O-CB 3.42Å; T441-H445 PolarHBondContact O-N 3.03Å
442	L	88.7	Confident	86.4	Confident	20 Å²	20	81.1 Å²	81.1	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-61.6	-52	170	173.7	61.3	0	0	0	112.3	F427 K428 C429 F436 T438 R444 H445 I446	F427-L442 HydrophobicContact CB-CB 4.18Å; F427-L442 HydrophobicContact CB-CD2 3.8Å; K428-L442 WeakPolarHBondContact O-CD2 3.5Å; C429-L442 HydrophobicContact CB-CD1 3.86Å; F436-L442 HydrophobicContact CB-CB 4.13Å; F436-L442 HydrophobicContact CD2-CB 4.05Å; F436-L442 HydrophobicContact CD2-CD1 3.68Å; F436-L442 HydrophobicContact CD2-CG 4.46Å; F436-L442 HydrophobicContact CE2-CD1 3.98Å; F436-L442 HydrophobicContact CG-CB 4.2Å; T438-L442 PolarHBondContact O-N 3.39Å; T438-L442 VanDerWaalsContact O-N 3.13Å; L442-R444 PolarHBondContact O-N 3.24Å; L442-H445 CarbonylContact O-C 3.28Å; L442-H445 WeakPolarHBondContact O-CA 3.48Å; L442-H445 WeakPolarHBondContact O-CB 3.46Å; L442-H445 PolarHBondContact O-N 2.85Å; L442-I446 HydrophobicContact CD1-CD1 3.98Å; L442-I446 HydrophobicContact CD1-CG1 3.99Å; L442-I446 HydrophobicContact CD2-CD1 4.47Å; L442-I446 HydrophobicContact CG-CD1 3.9Å; L442-I446 HydrophobicContact CG-CG1 4.35Å; L442-I446 WeakPolarHBondContact O-CG1 3.42Å; L442-I446 PolarHBondContact O-N 3.14Å
443	K	85.9	Confident	86.3	Confident	129 Å²	129	85.3 Å²	85.3	56%	0.561	42%	0.415	S	S	*	.	H	α-helix	trans	-55.8	-41	178.4	-82.8	-165.7	174	-161.9	0	112.1	R439 T440 H445 I446 R447	R439-K443 PolarHBondContact O-N 3.25Å; T440-K443 PolarHBondContact O-N 3.28Å; K443-H445 VanDerWaalsContact C-N 3.34Å; K443-I446 PolarHBondContact O-N 3.4Å; K443-R447 PolarHBondContact O-N 2.93Å
444	R	86.3	Confident	86.2	Confident	129 Å²	129	78.7 Å²	78.7	49%	0.487	39%	0.393	S	S	.	.	H	α-helix	trans	-64.1	-40.5	176.1	-177.7	176.9	71.8	173.6	-0.3	111.9	T440 T441 L442 R447 H466	T440-R444 VanDerWaalsContact O-CB 3.3Å; T440-R444 WeakPolarHBondContact O-CB 3.35Å; T440-R444 PolarHBondContact O-N 3.43Å; T441-R444 PolarHBondContact O-N 3.18Å; L442-R444 PolarHBondContact O-N 3.24Å; R444-R447 WeakPolarHBondContact O-CB 3.31Å; R444-R447 PolarHBondContact O-N 3.02Å; R444-H466 WeakPolarHBondContact CD-CE1 3.49Å; R444-H466 WeakPolarHBondContact CD-ND1 3.27Å; R444-H466 WeakPolarHBondContact CG-CE1 3.49Å
445	H	87.9	Confident	86.3	Confident	25 Å²	25	75.7 Å²	75.7	12%	0.116	38%	0.379	C	S	.	.	H	α-helix	trans	-67.5	-38.5	174.6	172.4	60.2	0	0	0	112.6	C432 F436 T441 L442 K443 R447 T448 H449	C432-H445 PolarHBondContact SG-NE2 3.1Å; F436-H445 HydrophobicContact CE1-CB 3.81Å; F436-H445 HydrophobicContact CE2-CB 3.93Å; F436-H445 AromaticContact CE2-CD2 3.25Å; F436-H445 WeakPolarHBondContact CE2-CD2 3.45Å; F436-H445 AromaticContact CE2-CG 3.66Å; F436-H445 AromaticContact CE2-NE2 4Å; F436-H445 HydrophobicContact CZ-CB 3.41Å; F436-H445 VanDerWaalsContact CZ-CB 3.41Å; F436-H445 AromaticContact CZ-CD2 3.24Å; F436-H445 WeakPolarHBondContact CZ-CD2 3.39Å; F436-H445 AromaticContact CZ-CG 3.17Å; F436-H445 AromaticContact CZ-ND1 3.83Å; F436-H445 AromaticContact CZ-NE2 3.88Å; T441-H445 WeakPolarHBondContact O-CB 3.42Å; T441-H445 PolarHBondContact O-N 3.03Å; L442-H445 CarbonylContact O-C 3.28Å; L442-H445 WeakPolarHBondContact O-CA 3.48Å; L442-H445 WeakPolarHBondContact O-CB 3.46Å; L442-H445 PolarHBondContact O-N 2.85Å; K443-H445 VanDerWaalsContact C-N 3.34Å; H445-R447 PolarHBondContact O-N 3.25Å; H445-R447 VanDerWaalsContact O-N 3.14Å; H445-T448 PolarHBondContact ND1-OG1 2.83Å; H445-T448 WeakPolarHBondContact O-CB 3.45Å; H445-T448 PolarHBondContact O-N 3.08Å; H445-T448 PolarHBondContact O-OG1 3.13Å; H445-H449 AromaticContact CD2-NE2 3.88Å; H445-H449 AromaticContact CE1-NE2 3.28Å; H445-H449 PolarHBondContact CE1-NE2 3.07Å; H445-H449 VanDerWaalsContact CE1-NE2 3.28Å; H445-H449 AromaticContact NE2-CD2 3.72Å; H445-H449 AromaticContact NE2-NE2 2.99Å; H445-H449 PolarHBondContact NE2-NE2 2.87Å
446	I	86.9	Confident	86.2	Confident	44 Å²	44	75.8 Å²	75.8	23%	0.226	38%	0.381	C	S	.	.	H	α-helix	trans	-56.8	-33.2	178.5	-70.3	167.4	0	0	0	111.4	Y431 L442 K443 T448 H449 T450	Y431-I446 HydrophobicContact CD2-CG2 4.33Å; Y431-I446 HydrophobicContact CE2-CG2 3.96Å; L442-I446 HydrophobicContact CD1-CD1 3.98Å; L442-I446 HydrophobicContact CD1-CG1 3.99Å; L442-I446 HydrophobicContact CD2-CD1 4.47Å; L442-I446 HydrophobicContact CG-CD1 3.9Å; L442-I446 HydrophobicContact CG-CG1 4.35Å; L442-I446 WeakPolarHBondContact O-CG1 3.42Å; L442-I446 PolarHBondContact O-N 3.14Å; K443-I446 PolarHBondContact O-N 3.4Å; I446-T448 PolarHBondContact O-N 2.79Å; I446-T448 VanDerWaalsContact O-N 3.16Å; I446-H449 WeakPolarHBondContact O-CB 3.48Å; I446-H449 PolarHBondContact O-N 3.11Å; I446-T450 HydrophobicContact CG2-CG2 4Å; I446-T450 PolarHBondContact O-N 3.27Å; I446-T450 PolarHBondContact O-OG1 2.73Å
447	R	87.9	Confident	86.3	Confident	63 Å²	63	73.9 Å²	73.9	24%	0.238	37%	0.372	C	S	.	.	H	α-helix	trans	-60.1	-23.8	174.7	-62.5	178.2	-173.9	165.3	-1.9	114.4	K443 R444 H445 H449 T450 G451 E452 G465	K443-R447 PolarHBondContact O-N 2.93Å; R444-R447 WeakPolarHBondContact O-CB 3.31Å; R444-R447 PolarHBondContact O-N 3.02Å; H445-R447 PolarHBondContact O-N 3.25Å; H445-R447 VanDerWaalsContact O-N 3.14Å; R447-H449 VanDerWaalsContact C-N 3.26Å; R447-T450 WeakPolarHBondContact CA-OG1 3.18Å; R447-G451 WeakPolarHBondContact O-CA 3.22Å; R447-G451 PolarHBondContact O-N 3.32Å; R447-E452 HydrophobicContact CG-CB 4.29Å; R447-G465 PolarHBondContact NH1-O 3.22Å; R447-G465 VanDerWaalsContact NH1-O 3.08Å
448	T	86.1	Confident	86.5	Confident	95 Å²	95	78.6 Å²	78.6	58%	0.583	40%	0.398	S	S	*	.	H	α-helix	trans	-74.3	-21.4	175.5	71.3	0	0	0	0	112.2	H445 I446	H445-T448 PolarHBondContact ND1-OG1 2.83Å; H445-T448 WeakPolarHBondContact O-CB 3.45Å; H445-T448 PolarHBondContact O-N 3.08Å; H445-T448 PolarHBondContact O-OG1 3.13Å; I446-T448 PolarHBondContact O-N 2.79Å; I446-T448 VanDerWaalsContact O-N 3.16Å
449	H	86.4	Confident	86.5	Confident	78 Å²	78	81.7 Å²	81.7	36%	0.361	42%	0.417	S	S	.	.	H	α-helix	trans	-88.7	-42.7	174	-62.7	-69.5	0	0	0	111.2	Y431 H445 I446 R447 G451	Y431-H449 HydrophobicContact CD1-CB 4.45Å; Y431-H449 HydrophobicContact CD2-CB 4.19Å; Y431-H449 HydrophobicContact CG-CB 3.97Å; H445-H449 AromaticContact CD2-NE2 3.88Å; H445-H449 AromaticContact CE1-NE2 3.28Å; H445-H449 PolarHBondContact CE1-NE2 3.07Å; H445-H449 VanDerWaalsContact CE1-NE2 3.28Å; H445-H449 AromaticContact NE2-CD2 3.72Å; H445-H449 AromaticContact NE2-NE2 2.99Å; H445-H449 PolarHBondContact NE2-NE2 2.87Å; I446-H449 WeakPolarHBondContact O-CB 3.48Å; I446-H449 PolarHBondContact O-N 3.11Å; R447-H449 VanDerWaalsContact C-N 3.26Å; H449-G451 VanDerWaalsContact C-N 3.33Å
450	T	85	Confident	86.6	Confident	56 Å²	56	77 Å²	77	34%	0.344	41%	0.409	S	S	.	.	H	α-helix	trans	-81.6	-12.8	-177	62.2	0	0	0	0	113.8	Y431 I446 R447 E452	Y431-T450 HydrophobicContact CE2-CG2 4.5Å; I446-T450 HydrophobicContact CG2-CG2 4Å; I446-T450 PolarHBondContact O-N 3.27Å; I446-T450 PolarHBondContact O-OG1 2.73Å; R447-T450 WeakPolarHBondContact CA-OG1 3.18Å; T450-E452 PolarHBondContact O-N 3.36Å; T450-E452 VanDerWaalsContact O-N 3.16Å; T450-E452 WeakPolarHBondContact OG1-CG 3.21Å
451	G	83.8	Confident	86.5	Confident	52 Å²	52	73.6 Å²	73.6	54%	0.536	39%	0.394	S	S	.	.			trans	69.6	3.8	-175.1	0	0	0	0	0	114.4	R447 H449 K453	R447-G451 WeakPolarHBondContact O-CA 3.22Å; R447-G451 PolarHBondContact O-N 3.32Å; H449-G451 VanDerWaalsContact C-N 3.33Å; G451-K453 PolarHBondContact O-N 2.84Å
452	E	84.8	Confident	86.6	Confident	114 Å²	114	79.6 Å²	79.6	53%	0.533	41%	0.413	S	S	.	.			trans	-58.9	122	-179.5	-78.7	-179.9	-169.7	0	0	111.5	R447 T450 P454	R447-E452 HydrophobicContact CG-CB 4.29Å; T450-E452 PolarHBondContact O-N 3.36Å; T450-E452 VanDerWaalsContact O-N 3.16Å; T450-E452 WeakPolarHBondContact OG1-CG 3.21Å; E452-P454 WeakPolarHBondContact O-CD 3.11Å
453	K	86.7	Confident	86.5	Confident	127 Å²	127	82.1 Å²	82.1	55%	0.552	43%	0.426	S	S	*	.			trans	-120.3	79.8	175.2	-69	-179	-175.2	175.1	0	110.3	G451 Y455 N463 F464	G451-K453 PolarHBondContact O-N 2.84Å; K453-Y455 PolarHBondContact O-N 3.37Å; K453-Y455 VanDerWaalsContact O-N 3.12Å; K453-N463 HydrophobicContact CB-CB 3.76Å; K453-N463 HydrophobicContact CD-CB 4.46Å; K453-N463 WeakPolarHBondContact CD-O 3.37Å; K453-N463 PolarHBondContact O-OD1 2.85Å; K453-F464 CarbonylContact C-O 3.58Å; K453-F464 VanDerWaalsContact C-O 3.24Å; K453-F464 WeakPolarHBondContact CA-O 3.44Å
454	P	85.8	Confident	86.4	Confident	71 Å²	71	77.4 Å²	77.4	46%	0.461	41%	0.406	S	S	.	.			trans	-74.6	-2.6	-167.5	-16.1	31.6	0	0	0	115.1	E452	E452-P454 WeakPolarHBondContact O-CD 3.11Å
455	Y	87.8	Confident	86.2	Confident	72 Å²	72	72 Å²	72	28%	0.282	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.5	99.7	-172.6	-57.7	-72.4	0	0	0	109.8	K453 N463 F464 H466 R467	K453-Y455 PolarHBondContact O-N 3.37Å; K453-Y455 VanDerWaalsContact O-N 3.12Å; Y455-N463 CarbonylContact O-C 3.48Å; Y455-N463 WeakPolarHBondContact O-CA 3.26Å; Y455-F464 WeakPolarHBondContact CD2-O 3.49Å; Y455-F464 PolarHBondContact N-O 2.92Å; Y455-F464 PolarHBondContact O-N 3.4Å; Y455-H466 VanDerWaalsContact CD2-C 3.41Å; Y455-R467 HydrophobicContact CD1-CB 4.19Å; Y455-R467 HydrophobicContact CE1-CB 3.98Å; Y455-R467 HydrophobicContact CE1-CG 4.48Å; Y455-R467 HydrophobicContact CE2-CB 4.4Å; Y455-R467 HydrophobicContact CG-CB 4.5Å
456	E	88.8	Confident	86	Confident	115 Å²	115	73.7 Å²	73.7	54%	0.537	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	140.6	178.5	-166.7	-179.9	165.4	0	0	111.7	N463 L470	E456-N463 WeakPolarHBondContact CA-OD1 3.46Å; E456-N463 WeakPolarHBondContact CB-OD1 3.31Å; E456-L470 WeakPolarHBondContact O-CD2 3.4Å
457	C	89	Confident	85.7	Confident	0 Å²	0	80.5 Å²	80.5	0%	0	42%	0.421	C	S	.	.			trans	-80.9	119.5	166.9	179.6	0	0	0	0	110.1	V459 G461 R462 F464 L470 H477	C457-V459 PolarHBondContact O-N 3.17Å; C457-V459 PolarHBondContact SG-N 3.27Å; C457-G461 VanDerWaalsContact O-CA 3.24Å; C457-G461 WeakPolarHBondContact O-CA 3.29Å; C457-G461 PolarHBondContact O-N 3.48Å; C457-R462 WeakPolarHBondContact CB-O 3.38Å; C457-R462 PolarHBondContact N-O 3.4Å; C457-F464 HydrophobicContact CB-CE2 4.21Å; C457-L470 HydrophobicContact CB-CD1 3.72Å; C457-H477 PolarHBondContact SG-NE2 2.91Å; C457-H477 VanDerWaalsContact SG-NE2 3.4Å
458	T	87	Confident	85.5	Confident	130 Å²	130	82.4 Å²	82.4	80%	0.798	44%	0.44	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.5	-14.1	179.8	56.9	0	0	0	0	114
459	V	84.7	Confident	85.4	Confident	90 Å²	90	81.4 Å²	81.4	55%	0.545	43%	0.431	S	S	.	.	T	Hydrogen-bonded Turn	trans	-92.9	-38.7	-177.9	-175.4	0	0	0	0	111.7	C457 M474 H477	C457-V459 PolarHBondContact O-N 3.17Å; C457-V459 PolarHBondContact SG-N 3.27Å; V459-M474 HydrophobicContact CG2-CE 4Å; V459-H477 HydrophobicContact CG1-CB 4.4Å; V459-H477 HydrophobicContact CG2-CB 4.49Å
460	C	87.4	Confident	85.4	Confident	64 Å²	64	79 Å²	79	43%	0.432	42%	0.421	S	S	.	.	T	Hydrogen-bonded Turn	trans	-128	7.6	-174.9	69.1	0	0	0	0	114.8	R462 H473 H477	C460-R462 PolarHBondContact O-N 3.11Å; C460-H473 PolarHBondContact SG-NE2 2.92Å; C460-H477 PolarHBondContact SG-NE2 3.49Å
461	G	84.1	Confident	85.3	Confident	35 Å²	35	83.1 Å²	83.1	36%	0.361	43%	0.434	S	S	.	.			trans	67.9	2.3	178.8	0	0	0	0	0	115.2	C457 N463	C457-G461 VanDerWaalsContact O-CA 3.24Å; C457-G461 WeakPolarHBondContact O-CA 3.29Å; C457-G461 PolarHBondContact O-N 3.48Å; G461-N463 PolarHBondContact O-N 2.8Å; G461-N463 PolarHBondContact O-ND2 2.97Å
462	R	86.9	Confident	85.3	Confident	163 Å²	163	81.3 Å²	81.3	62%	0.615	42%	0.416	S	S	*	.			trans	-73	131.4	-175.3	-163.2	171.4	-171.2	174.6	3.8	111.2	C457 C460 F464	C457-R462 WeakPolarHBondContact CB-O 3.38Å; C457-R462 PolarHBondContact N-O 3.4Å; C460-R462 PolarHBondContact O-N 3.11Å; R462-F464 HydrophobicContact CB-CE2 3.96Å; R462-F464 HydrophobicContact CB-CZ 4.24Å; R462-F464 HydrophobicContact CG-CE2 4.1Å; R462-F464 HydrophobicContact CG-CZ 4.02Å; R462-F464 WeakPolarHBondContact O-CD2 3.37Å; R462-F464 VanDerWaalsContact O-CE2 3.24Å; R462-F464 WeakPolarHBondContact O-CE2 3.31Å
463	N	86.4	Confident	85.3	Confident	72 Å²	72	76.9 Å²	76.9	39%	0.385	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.6	140.4	-178.1	-75.2	-71.1	0	0	0	112.7	K453 Y455 E456 G461	K453-N463 HydrophobicContact CB-CB 3.76Å; K453-N463 HydrophobicContact CD-CB 4.46Å; K453-N463 WeakPolarHBondContact CD-O 3.37Å; K453-N463 PolarHBondContact O-OD1 2.85Å; Y455-N463 CarbonylContact O-C 3.48Å; Y455-N463 WeakPolarHBondContact O-CA 3.26Å; E456-N463 WeakPolarHBondContact CA-OD1 3.46Å; E456-N463 WeakPolarHBondContact CB-OD1 3.31Å; G461-N463 PolarHBondContact O-N 2.8Å; G461-N463 PolarHBondContact O-ND2 2.97Å
464	F	84.1	Confident	85	Confident	31 Å²	31	73.3 Å²	73.3	14%	0.136	38%	0.381	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127	145.3	-177.9	-61.9	-91.5	0	0	0	111.7	K453 Y455 C457 R462 H466 D469 L470 H473	K453-F464 CarbonylContact C-O 3.58Å; K453-F464 VanDerWaalsContact C-O 3.24Å; K453-F464 WeakPolarHBondContact CA-O 3.44Å; Y455-F464 WeakPolarHBondContact CD2-O 3.49Å; Y455-F464 PolarHBondContact N-O 2.92Å; Y455-F464 PolarHBondContact O-N 3.4Å; C457-F464 HydrophobicContact CB-CE2 4.21Å; R462-F464 HydrophobicContact CB-CE2 3.96Å; R462-F464 HydrophobicContact CB-CZ 4.24Å; R462-F464 HydrophobicContact CG-CE2 4.1Å; R462-F464 HydrophobicContact CG-CZ 4.02Å; R462-F464 WeakPolarHBondContact O-CD2 3.37Å; R462-F464 VanDerWaalsContact O-CE2 3.24Å; R462-F464 WeakPolarHBondContact O-CE2 3.31Å; F464-H466 VanDerWaalsContact C-N 3.31Å; F464-D469 HydrophobicContact CB-CB 4.4Å; F464-D469 HydrophobicContact CD1-CB 3.93Å; F464-D469 HydrophobicContact CG-CB 4.49Å; F464-L470 HydrophobicContact CB-CB 4.25Å; F464-L470 HydrophobicContact CD2-CB 4.02Å; F464-L470 HydrophobicContact CD2-CD1 3.82Å; F464-L470 HydrophobicContact CE2-CD1 4Å; F464-L470 HydrophobicContact CG-CB 4.22Å; F464-H473 HydrophobicContact CE1-CB 3.86Å; F464-H473 HydrophobicContact CE2-CB 4.04Å; F464-H473 AromaticContact CE2-CD2 3.46Å; F464-H473 VanDerWaalsContact CE2-CD2 3.46Å; F464-H473 WeakPolarHBondContact CE2-CD2 2.99Å; F464-H473 AromaticContact CE2-CG 3.75Å; F464-H473 HydrophobicContact CZ-CB 3.47Å; F464-H473 VanDerWaalsContact CZ-CB 3.47Å; F464-H473 AromaticContact CZ-CD2 3.42Å; F464-H473 VanDerWaalsContact CZ-CD2 3.42Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.46Å; F464-H473 AromaticContact CZ-CG 3.22Å; F464-H473 AromaticContact CZ-ND1 3.73Å
465	G	82.4	Confident	84.9	Confident	16 Å²	16	71.7 Å²	71.7	17%	0.165	37%	0.365	C	S	.	.	S	Bend	trans	-73	-22.9	176.6	0	0	0	0	0	113.7	R447	R447-G465 PolarHBondContact NH1-O 3.22Å; R447-G465 VanDerWaalsContact NH1-O 3.08Å
466	H	83.1	Confident	84.6	Confident	59 Å²	59	74.9 Å²	74.9	27%	0.273	39%	0.385	S	S	.	.	S	Bend	trans	-135.1	145	-176.1	-49.5	-101.5	0	0	0	112.8	R444 Y455 F464 T468 D469 L470	R444-H466 WeakPolarHBondContact CD-CE1 3.49Å; R444-H466 WeakPolarHBondContact CD-ND1 3.27Å; R444-H466 WeakPolarHBondContact CG-CE1 3.49Å; Y455-H466 VanDerWaalsContact CD2-C 3.41Å; F464-H466 VanDerWaalsContact C-N 3.31Å; H466-T468 VanDerWaalsContact C-N 3.28Å; H466-T468 PolarHBondContact O-N 3.21Å; H466-D469 WeakPolarHBondContact CB-OD2 3.42Å; H466-D469 IonicContact CD2-OD2 2.86Å; H466-D469 PolarHBondContact CD2-OD2 2.96Å; H466-D469 IonicContact CG-OD2 2.95Å; H466-D469 PolarHBondContact O-N 3.27Å; H466-L470 PolarHBondContact O-N 3.05Å; H466-L470 VanDerWaalsContact O-N 3.17Å
467	R	82.6	Confident	84.2	Confident	188 Å²	188	73.1 Å²	73.1	71%	0.709	38%	0.376	S	S	*	.	H	α-helix	trans	-64.8	-29.6	176.7	-168.7	178.4	-176.7	-172.5	2.8	113.2	Y455 D469 K471	Y455-R467 HydrophobicContact CD1-CB 4.19Å; Y455-R467 HydrophobicContact CE1-CB 3.98Å; Y455-R467 HydrophobicContact CE1-CG 4.48Å; Y455-R467 HydrophobicContact CE2-CB 4.4Å; Y455-R467 HydrophobicContact CG-CB 4.5Å; R467-D469 VanDerWaalsContact C-N 3.3Å; R467-K471 WeakPolarHBondContact O-CB 3.32Å; R467-K471 PolarHBondContact O-N 2.82Å
468	T	82.9	Confident	83.8	Confident	102 Å²	102	77 Å²	77	63%	0.626	40%	0.4	S	S	*	.	H	α-helix	trans	-64.8	-38.6	175.7	44.1	0	0	0	0	111.5	H466 K471 G472	H466-T468 VanDerWaalsContact C-N 3.28Å; H466-T468 PolarHBondContact O-N 3.21Å; T468-K471 PolarHBondContact O-N 3.42Å; T468-G472 PolarHBondContact O-N 3.48Å
469	D	83.7	Confident	83.4	Confident	75 Å²	75	73.4 Å²	73.4	40%	0.401	39%	0.388	S	S	.	.	H	α-helix	trans	-74.7	-42	-177	-49.8	-14.7	0	0	0	109.3	F464 H466 R467 K471 G472 H473	F464-D469 HydrophobicContact CB-CB 4.4Å; F464-D469 HydrophobicContact CD1-CB 3.93Å; F464-D469 HydrophobicContact CG-CB 4.49Å; H466-D469 WeakPolarHBondContact CB-OD2 3.42Å; H466-D469 IonicContact CD2-OD2 2.86Å; H466-D469 PolarHBondContact CD2-OD2 2.96Å; H466-D469 IonicContact CG-OD2 2.95Å; H466-D469 PolarHBondContact O-N 3.27Å; R467-D469 VanDerWaalsContact C-N 3.3Å; D469-K471 PolarHBondContact O-N 3.31Å; D469-G472 PolarHBondContact O-N 3.42Å; D469-H473 VanDerWaalsContact O-CB 3.25Å; D469-H473 WeakPolarHBondContact O-CB 3.45Å; D469-H473 PolarHBondContact O-N 3.28Å
470	L	86.3	Confident	83.2	Confident	27 Å²	27	74.4 Å²	74.4	14%	0.141	39%	0.387	C	S	.	.	H	α-helix	trans	-57.8	-47.7	168.6	175.4	61.3	0	0	0	111	E456 C457 F464 H466 G472 H473 M474	E456-L470 WeakPolarHBondContact O-CD2 3.4Å; C457-L470 HydrophobicContact CB-CD1 3.72Å; F464-L470 HydrophobicContact CB-CB 4.25Å; F464-L470 HydrophobicContact CD2-CB 4.02Å; F464-L470 HydrophobicContact CD2-CD1 3.82Å; F464-L470 HydrophobicContact CE2-CD1 4Å; F464-L470 HydrophobicContact CG-CB 4.22Å; H466-L470 PolarHBondContact O-N 3.05Å; H466-L470 VanDerWaalsContact O-N 3.17Å; L470-G472 VanDerWaalsContact C-N 3.33Å; L470-G472 PolarHBondContact O-N 3.34Å; L470-H473 CarbonylContact O-C 3.28Å; L470-H473 WeakPolarHBondContact O-CB 3.33Å; L470-H473 PolarHBondContact O-N 2.91Å; L470-M474 HydrophobicContact CD1-CG 4.05Å; L470-M474 HydrophobicContact CD1-SD 4.22Å; L470-M474 HydrophobicContact CG-CG 4.31Å; L470-M474 VanDerWaalsContact O-CG 3.27Å; L470-M474 WeakPolarHBondContact O-CG 3.47Å; L470-M474 PolarHBondContact O-N 2.94Å
471	K	83.8	Confident	82.9	Confident	142 Å²	142	77.6 Å²	77.6	62%	0.617	39%	0.394	S	S	*	.	H	α-helix	trans	-62.4	-39.4	179.4	-171.8	176.1	-177.3	-179.8	0	112.2	R467 T468 D469	R467-K471 WeakPolarHBondContact O-CB 3.32Å; R467-K471 PolarHBondContact O-N 2.82Å; T468-K471 PolarHBondContact O-N 3.42Å; D469-K471 PolarHBondContact O-N 3.31Å
472	G	82.2	Confident	82.8	Confident	15 Å²	15	79.3 Å²	79.3	16%	0.155	40%	0.399	C	S	.	.	H	α-helix	trans	-66.5	-39.6	174.1	0	0	0	0	0	112.1	T468 D469 L470 R475	T468-G472 PolarHBondContact O-N 3.48Å; D469-G472 PolarHBondContact O-N 3.42Å; L470-G472 VanDerWaalsContact C-N 3.33Å; L470-G472 PolarHBondContact O-N 3.34Å; G472-R475 WeakPolarHBondContact O-CB 3.38Å; G472-R475 PolarHBondContact O-N 3.17Å
473	H	85.1	Confident	82.5	Confident	21 Å²	21	75 Å²	75	10%	0.097	38%	0.383	C	S	.	.	H	α-helix	trans	-65.8	-41.1	174.8	172.1	67.6	0	0	0	112.5	C460 F464 D469 L470 R475 M476 H477	C460-H473 PolarHBondContact SG-NE2 2.92Å; F464-H473 HydrophobicContact CE1-CB 3.86Å; F464-H473 HydrophobicContact CE2-CB 4.04Å; F464-H473 AromaticContact CE2-CD2 3.46Å; F464-H473 VanDerWaalsContact CE2-CD2 3.46Å; F464-H473 WeakPolarHBondContact CE2-CD2 2.99Å; F464-H473 AromaticContact CE2-CG 3.75Å; F464-H473 HydrophobicContact CZ-CB 3.47Å; F464-H473 VanDerWaalsContact CZ-CB 3.47Å; F464-H473 AromaticContact CZ-CD2 3.42Å; F464-H473 VanDerWaalsContact CZ-CD2 3.42Å; F464-H473 WeakPolarHBondContact CZ-CD2 3.46Å; F464-H473 AromaticContact CZ-CG 3.22Å; F464-H473 AromaticContact CZ-ND1 3.73Å; D469-H473 VanDerWaalsContact O-CB 3.25Å; D469-H473 WeakPolarHBondContact O-CB 3.45Å; D469-H473 PolarHBondContact O-N 3.28Å; L470-H473 CarbonylContact O-C 3.28Å; L470-H473 WeakPolarHBondContact O-CB 3.33Å; L470-H473 PolarHBondContact O-N 2.91Å; H473-R475 PolarHBondContact O-N 3.32Å; H473-R475 VanDerWaalsContact O-N 3.09Å; H473-M476 VanDerWaalsContact O-CB 3.23Å; H473-M476 WeakPolarHBondContact O-CB 3.14Å; H473-M476 WeakPolarHBondContact O-CG 3.37Å; H473-M476 PolarHBondContact O-N 2.79Å; H473-H477 AromaticContact CD2-NE2 3.93Å; H473-H477 AromaticContact CE1-NE2 3.6Å; H473-H477 AromaticContact NE2-CD2 3.79Å; H473-H477 AromaticContact NE2-NE2 3.08Å; H473-H477 PolarHBondContact NE2-NE2 2.71Å
474	M	81.4	Confident	82.4	Confident	52 Å²	52	77.1 Å²	77.1	26%	0.256	39%	0.388	S	S	.	.	H	α-helix	trans	-57.3	-27.2	177.7	-73.1	-59.2	-65.2	0	0	112.7	V459 L470 M476 H477 T478	V459-M474 HydrophobicContact CG2-CE 4Å; L470-M474 HydrophobicContact CD1-CG 4.05Å; L470-M474 HydrophobicContact CD1-SD 4.22Å; L470-M474 HydrophobicContact CG-CG 4.31Å; L470-M474 VanDerWaalsContact O-CG 3.27Å; L470-M474 WeakPolarHBondContact O-CG 3.47Å; L470-M474 PolarHBondContact O-N 2.94Å; M474-M476 PolarHBondContact O-N 3.06Å; M474-H477 PolarHBondContact O-N 3.29Å; M474-H477 VanDerWaalsContact O-N 3.11Å; M474-T478 PolarHBondContact O-N 3.08Å; M474-T478 VanDerWaalsContact O-N 3.12Å; M474-T478 PolarHBondContact O-OG1 2.85Å
475	R	84	Confident	82.5	Confident	36 Å²	36	75.7 Å²	75.7	14%	0.136	38%	0.382	C	S	.	.	H	α-helix	trans	-67.7	-18.1	174.6	-64.9	176.4	178.1	155.1	-5	114	G472 H473 H477 T478 G479 E480 S493	G472-R475 WeakPolarHBondContact O-CB 3.38Å; G472-R475 PolarHBondContact O-N 3.17Å; H473-R475 PolarHBondContact O-N 3.32Å; H473-R475 VanDerWaalsContact O-N 3.09Å; R475-H477 VanDerWaalsContact C-N 3.35Å; R475-T478 WeakPolarHBondContact CA-OG1 3.38Å; R475-G479 CarbonylContact O-C 3.24Å; R475-G479 WeakPolarHBondContact O-CA 3.42Å; R475-G479 PolarHBondContact O-N 3.2Å; R475-E480 HydrophobicContact CB-CB 4.43Å; R475-E480 HydrophobicContact CG-CB 4.2Å; R475-E480 PolarHBondContact O-N 3.01Å; R475-S493 WeakPolarHBondContact CD-O 3.43Å; R475-S493 PolarHBondContact NH1-O 3.18Å
476	M	80.4	Confident	82.5	Confident	140 Å²	140	80.8 Å²	80.8	69%	0.69	41%	0.41	S	S	*	.	H	α-helix	trans	-73.3	-31.9	172.1	-59.7	177.7	58.3	0	0	111.3	H473 M474	H473-M476 VanDerWaalsContact O-CB 3.23Å; H473-M476 WeakPolarHBondContact O-CB 3.14Å; H473-M476 WeakPolarHBondContact O-CG 3.37Å; H473-M476 PolarHBondContact O-N 2.79Å; M474-M476 PolarHBondContact O-N 3.06Å
477	H	81.6	Confident	82.5	Confident	77 Å²	77	82.5 Å²	82.5	36%	0.356	43%	0.425	S	S	.	.	H	α-helix	trans	-79.3	-38.1	176.4	-63.2	-58.2	0	0	0	111.9	C457 V459 C460 H473 M474 R475	C457-H477 PolarHBondContact SG-NE2 2.91Å; C457-H477 VanDerWaalsContact SG-NE2 3.4Å; V459-H477 HydrophobicContact CG1-CB 4.4Å; V459-H477 HydrophobicContact CG2-CB 4.49Å; C460-H477 PolarHBondContact SG-NE2 3.49Å; H473-H477 AromaticContact CD2-NE2 3.93Å; H473-H477 AromaticContact CE1-NE2 3.6Å; H473-H477 AromaticContact NE2-CD2 3.79Å; H473-H477 AromaticContact NE2-NE2 3.08Å; H473-H477 PolarHBondContact NE2-NE2 2.71Å; M474-H477 PolarHBondContact O-N 3.29Å; M474-H477 VanDerWaalsContact O-N 3.11Å; R475-H477 VanDerWaalsContact C-N 3.35Å
478	T	80.8	Confident	82.6	Confident	83 Å²	83	76.3 Å²	76.3	51%	0.509	41%	0.41	S	S	.	.	H	α-helix	trans	-88.1	-10.6	-178.6	63.2	0	0	0	0	114	M474 R475 E480	M474-T478 PolarHBondContact O-N 3.08Å; M474-T478 VanDerWaalsContact O-N 3.12Å; M474-T478 PolarHBondContact O-OG1 2.85Å; R475-T478 WeakPolarHBondContact CA-OG1 3.38Å; T478-E480 PolarHBondContact O-N 3.17Å; T478-E480 WeakPolarHBondContact OG1-CG 3.41Å
479	G	76.9	Confident	82.5	Confident	53 Å²	53	73.1 Å²	73.1	55%	0.546	40%	0.398	S	S	.	.			trans	69.4	3.8	-174.7	0	0	0	0	0	114.8	R475 K481	R475-G479 CarbonylContact O-C 3.24Å; R475-G479 WeakPolarHBondContact O-CA 3.42Å; R475-G479 PolarHBondContact O-N 3.2Å; G479-K481 PolarHBondContact O-N 2.93Å
480	E	80.2	Confident	82.5	Confident	112 Å²	112	74.8 Å²	74.8	52%	0.523	40%	0.403	S	S	.	.			trans	-61.8	122.4	-178	-76.8	-178.1	-177.7	0	0	112	R475 T478 P482	R475-E480 HydrophobicContact CB-CB 4.43Å; R475-E480 HydrophobicContact CG-CB 4.2Å; R475-E480 PolarHBondContact O-N 3.01Å; T478-E480 PolarHBondContact O-N 3.17Å; T478-E480 WeakPolarHBondContact OG1-CG 3.41Å; E480-P482 WeakPolarHBondContact O-CD 3.39Å
481	K	81.9	Confident	82.4	Confident	130 Å²	130	76.5 Å²	76.5	57%	0.565	41%	0.412	S	S	*	.			trans	-118.3	80.4	174.3	-67.2	171.6	166.9	-166.7	0	110.9	G479 Y483 D491 F492	G479-K481 PolarHBondContact O-N 2.93Å; K481-Y483 VanDerWaalsContact C-N 3.27Å; K481-Y483 PolarHBondContact O-N 3.2Å; K481-D491 HydrophobicContact CB-CB 3.66Å; K481-D491 HydrophobicContact CD-CB 4.06Å; K481-D491 WeakPolarHBondContact CD-O 3.22Å; K481-F492 CarbonylContact C-O 3.55Å; K481-F492 WeakPolarHBondContact CA-O 3.42Å
482	P	81.3	Confident	82.2	Confident	72 Å²	72	71.1 Å²	71.1	47%	0.468	39%	0.389	S	S	.	.			trans	-77.7	-7.6	-169.9	-6.4	21.9	0	0	0	114.5	E480	E480-P482 WeakPolarHBondContact O-CD 3.39Å
483	Y	80.6	Confident	82	Confident	72 Å²	72	71.5 Å²	71.5	28%	0.282	39%	0.389	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	99.9	-172	-58	-77.1	0	0	0	110.3	K481 F492 T494 W495	K481-Y483 VanDerWaalsContact C-N 3.27Å; K481-Y483 PolarHBondContact O-N 3.2Å; Y483-F492 WeakPolarHBondContact CD2-O 3.36Å; Y483-F492 PolarHBondContact N-O 3.46Å; Y483-F492 PolarHBondContact O-N 3.39Å; Y483-T494 VanDerWaalsContact CD2-C 3.5Å; Y483-W495 HydrophobicContact CD1-CB 4.25Å; Y483-W495 HydrophobicContact CE1-CB 3.95Å; Y483-W495 HydrophobicContact CE2-CB 4.34Å
484	K	84.4	Confident	81.6	Confident	116 Å²	116	72.2 Å²	72.2	50%	0.504	40%	0.395	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.3	134.4	177	-173.6	171.4	-73.1	-59.5	0	111.5	G489 E490 D491	K484-G489 PolarHBondContact NZ-O 2.86Å; K484-E490 CarbonylContact C-O 3.43Å; K484-D491 WeakPolarHBondContact CA-OD1 3.47Å; K484-D491 WeakPolarHBondContact CB-OD1 3.48Å; K484-D491 VanDerWaalsContact CE-OD1 3.25Å; K484-D491 WeakPolarHBondContact CE-OD1 3.2Å; K484-D491 VanDerWaalsContact CG-OD1 3.24Å; K484-D491 WeakPolarHBondContact CG-OD1 3.37Å; K484-D491 IonicContact NZ-OD1 2.66Å; K484-D491 PolarHBondContact NZ-OD1 2.99Å; K484-D491 IonicContact NZ-OD2 2.74Å; K484-D491 PolarHBondContact NZ-OD2 3.3Å
485	C	87.2	Confident	81.4	Confident	1 Å²	1	76.5 Å²	76.5	1%	0.007	41%	0.409	C	S	.	.			trans	-73.8	124.4	167.9	-173.1	0	0	0	0	109.6	T487 G489 E490 F492 L498	C485-T487 VanDerWaalsContact C-N 3.26Å; C485-T487 PolarHBondContact O-N 3.3Å; C485-G489 WeakPolarHBondContact O-CA 3.48Å; C485-G489 PolarHBondContact O-N 2.83Å; C485-E490 WeakPolarHBondContact CB-O 3.33Å; C485-E490 PolarHBondContact N-O 3.25Å; C485-F492 HydrophobicContact CB-CE2 4.11Å; C485-L498 HydrophobicContact CB-CD1 3.72Å
486	T	82.9	Confident	81.3	Confident	123 Å²	123	78.4 Å²	78.4	76%	0.755	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73.6	-19.7	179.6	47.5	0	0	0	0	112.9
487	T	81.4	Confident	81.3	Confident	95 Å²	95	77.5 Å²	77.5	58%	0.583	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.4	-41.4	-176.3	-47.4	0	0	0	0	112.4	C485 H505	C485-T487 VanDerWaalsContact C-N 3.26Å; C485-T487 PolarHBondContact O-N 3.3Å; T487-H505 HydrophobicContact CG2-CB 4.16Å
488	C	86.1	Confident	81.4	Confident	59 Å²	59	74.3 Å²	74.3	40%	0.399	41%	0.405	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.8	1.6	-177.7	66.2	0	0	0	0	114.4	E490 H501 H505	C488-E490 PolarHBondContact O-N 2.92Å; C488-H501 PolarHBondContact SG-NE2 3.25Å; C488-H505 PolarHBondContact SG-NE2 3.22Å
489	G	80.4	Confident	81.5	Confident	35 Å²	35	72.9 Å²	72.9	36%	0.361	39%	0.394	S	S	.	.			trans	76.3	-5	177.1	0	0	0	0	0	116.1	K484 C485	K484-G489 PolarHBondContact NZ-O 2.86Å; C485-G489 WeakPolarHBondContact O-CA 3.48Å; C485-G489 PolarHBondContact O-N 2.83Å
490	E	82.7	Confident	81.8	Confident	110 Å²	110	77.9 Å²	77.9	51%	0.514	40%	0.401	S	S	.	.			trans	-65.3	138.6	-178.3	-74.4	-130.4	129.6	0	0	113.5	K484 C485 C488 F492	K484-E490 CarbonylContact C-O 3.43Å; C485-E490 WeakPolarHBondContact CB-O 3.33Å; C485-E490 PolarHBondContact N-O 3.25Å; C488-E490 PolarHBondContact O-N 2.92Å; E490-F492 HydrophobicContact CB-CE2 3.66Å; E490-F492 HydrophobicContact CB-CZ 3.9Å; E490-F492 WeakPolarHBondContact O-CD2 2.98Å; E490-F492 WeakPolarHBondContact O-CE2 3.06Å
491	D	84.5	Confident	82	Confident	62 Å²	62	73.8 Å²	73.8	33%	0.332	38%	0.382	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	132.7	-177.8	-64.2	-39.2	0	0	0	112.3	K481 K484	K481-D491 HydrophobicContact CB-CB 3.66Å; K481-D491 HydrophobicContact CD-CB 4.06Å; K481-D491 WeakPolarHBondContact CD-O 3.22Å; K484-D491 WeakPolarHBondContact CA-OD1 3.47Å; K484-D491 WeakPolarHBondContact CB-OD1 3.48Å; K484-D491 VanDerWaalsContact CE-OD1 3.25Å; K484-D491 WeakPolarHBondContact CE-OD1 3.2Å; K484-D491 VanDerWaalsContact CG-OD1 3.24Å; K484-D491 WeakPolarHBondContact CG-OD1 3.37Å; K484-D491 IonicContact NZ-OD1 2.66Å; K484-D491 PolarHBondContact NZ-OD1 2.99Å; K484-D491 IonicContact NZ-OD2 2.74Å; K484-D491 PolarHBondContact NZ-OD2 3.3Å
492	F	79.9	Confident	82	Confident	29 Å²	29	71 Å²	71	13%	0.127	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	144.5	-177.3	-61.3	-90.2	0	0	0	111.8	K481 Y483 C485 E490 K497 L498 H501	K481-F492 CarbonylContact C-O 3.55Å; K481-F492 WeakPolarHBondContact CA-O 3.42Å; Y483-F492 WeakPolarHBondContact CD2-O 3.36Å; Y483-F492 PolarHBondContact N-O 3.46Å; Y483-F492 PolarHBondContact O-N 3.39Å; C485-F492 HydrophobicContact CB-CE2 4.11Å; E490-F492 HydrophobicContact CB-CE2 3.66Å; E490-F492 HydrophobicContact CB-CZ 3.9Å; E490-F492 WeakPolarHBondContact O-CD2 2.98Å; E490-F492 WeakPolarHBondContact O-CE2 3.06Å; F492-K497 HydrophobicContact CB-CB 4.48Å; F492-K497 HydrophobicContact CD1-CB 4.03Å; F492-L498 HydrophobicContact CB-CB 4.11Å; F492-L498 HydrophobicContact CD2-CB 4.02Å; F492-L498 HydrophobicContact CD2-CD1 3.64Å; F492-L498 HydrophobicContact CD2-CG 4.43Å; F492-L498 HydrophobicContact CE2-CD1 3.93Å; F492-L498 HydrophobicContact CG-CB 4.13Å; F492-H501 HydrophobicContact CE1-CB 3.84Å; F492-H501 AromaticContact CE1-CG 3.96Å; F492-H501 HydrophobicContact CE2-CB 4.14Å; F492-H501 AromaticContact CE2-CD2 3.57Å; F492-H501 AromaticContact CE2-CG 3.77Å; F492-H501 HydrophobicContact CZ-CB 3.55Å; F492-H501 AromaticContact CZ-CD2 3.49Å; F492-H501 VanDerWaalsContact CZ-CD2 3.49Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.06Å; F492-H501 AromaticContact CZ-CE1 3.86Å; F492-H501 AromaticContact CZ-CG 3.21Å; F492-H501 AromaticContact CZ-ND1 3.49Å; F492-H501 WeakPolarHBondContact CZ-ND1 3.39Å; F492-H501 AromaticContact CZ-NE2 3.89Å
493	S	77.8	Confident	82	Confident	23 Å²	23	74.6 Å²	74.6	16%	0.161	37%	0.374	C	S	.	.	S	Bend	trans	-78.5	-17.5	178.8	56.2	0	0	0	0	114.2	R475	R475-S493 WeakPolarHBondContact CD-O 3.43Å; R475-S493 PolarHBondContact NH1-O 3.18Å
494	T	78.3	Confident	81.9	Confident	36 Å²	36	77.4 Å²	77.4	22%	0.221	39%	0.392	C	S	.	.	S	Bend	trans	-139.6	145.9	179.2	63.3	0	0	0	0	111.7	Y483 S496 K497 L498	Y483-T494 VanDerWaalsContact CD2-C 3.5Å; T494-S496 VanDerWaalsContact C-N 3.31Å; T494-S496 PolarHBondContact O-N 3.39Å; T494-K497 PolarHBondContact O-N 3.36Å; T494-K497 WeakPolarHBondContact OG1-CB 3.27Å; T494-K497 VanDerWaalsContact OG1-CG 3.26Å; T494-K497 WeakPolarHBondContact OG1-CG 3.34Å; T494-L498 PolarHBondContact O-N 3.07Å
495	W	77	Confident	81.6	Confident	143 Å²	143	75.7 Å²	75.7	54%	0.542	39%	0.386	S	S	.	.	H	α-helix	trans	-61.8	-37.2	178.3	179.1	84.4	0	0	0	112.5	Y483 K497 L498 N499	Y483-W495 HydrophobicContact CD1-CB 4.25Å; Y483-W495 HydrophobicContact CE1-CB 3.95Å; Y483-W495 HydrophobicContact CE2-CB 4.34Å; W495-K497 VanDerWaalsContact C-N 3.32Å; W495-K497 PolarHBondContact O-N 2.92Å; W495-L498 PolarHBondContact O-N 3.44Å; W495-N499 WeakPolarHBondContact CH2-ND2 3.41Å; W495-N499 WeakPolarHBondContact CZ2-ND2 3.48Å; W495-N499 PolarHBondContact O-N 3.21Å
496	S	80.4	Confident	80.7	Confident	76 Å²	76	79.2 Å²	79.2	53%	0.531	41%	0.411	S	S	.	.	H	α-helix	trans	-62.4	-37	177.9	-53.7	0	0	0	0	112.7	T494 K500	T494-S496 VanDerWaalsContact C-N 3.31Å; T494-S496 PolarHBondContact O-N 3.39Å; S496-K500 WeakPolarHBondContact O-CG 3.39Å; S496-K500 PolarHBondContact O-N 3.23Å
497	K	81.7	Confident	79.5	Confident	120 Å²	120	76.7 Å²	76.7	52%	0.522	41%	0.409	S	S	.	.	H	α-helix	trans	-68.8	-44.2	174.3	-72.9	-179.1	-178.3	-174.9	0	111.4	F492 T494 W495 N499 K500 H501	F492-K497 HydrophobicContact CB-CB 4.48Å; F492-K497 HydrophobicContact CD1-CB 4.03Å; T494-K497 PolarHBondContact O-N 3.36Å; T494-K497 WeakPolarHBondContact OG1-CB 3.27Å; T494-K497 VanDerWaalsContact OG1-CG 3.26Å; T494-K497 WeakPolarHBondContact OG1-CG 3.34Å; W495-K497 VanDerWaalsContact C-N 3.32Å; W495-K497 PolarHBondContact O-N 2.92Å; K497-N499 VanDerWaalsContact C-N 3.31Å; K497-N499 PolarHBondContact O-N 3.38Å; K497-K500 PolarHBondContact O-N 3.19Å; K497-H501 WeakPolarHBondContact O-CB 3.41Å; K497-H501 PolarHBondContact O-N 3.06Å
498	L	83.1	Confident	77.7	Confident	10 Å²	10	79.4 Å²	79.4	5%	0.052	42%	0.415	C	S	.	.	H	α-helix	trans	-58	-44.4	173.2	173.5	64.1	0	0	0	111.2	C485 F492 T494 W495 H501 K502	C485-L498 HydrophobicContact CB-CD1 3.72Å; F492-L498 HydrophobicContact CB-CB 4.11Å; F492-L498 HydrophobicContact CD2-CB 4.02Å; F492-L498 HydrophobicContact CD2-CD1 3.64Å; F492-L498 HydrophobicContact CD2-CG 4.43Å; F492-L498 HydrophobicContact CE2-CD1 3.93Å; F492-L498 HydrophobicContact CG-CB 4.13Å; T494-L498 PolarHBondContact O-N 3.07Å; W495-L498 PolarHBondContact O-N 3.44Å; L498-H501 CarbonylContact O-C 3.6Å; L498-H501 PolarHBondContact O-N 3.19Å; L498-K502 HydrophobicContact CD1-CD 4.42Å; L498-K502 HydrophobicContact CD1-CG 4.09Å; L498-K502 HydrophobicContact CG-CD 4.32Å; L498-K502 HydrophobicContact CG-CG 4.34Å; L498-K502 WeakPolarHBondContact O-CB 3.49Å; L498-K502 WeakPolarHBondContact O-CG 3.45Å; L498-K502 PolarHBondContact O-N 3.44Å
499	N	82.3	Confident	75.6	Confident	53 Å²	53	81.1 Å²	81.1	28%	0.283	43%	0.433	S	S	.	.	H	α-helix	trans	-65.5	-39.4	180	-105.9	31	0	0	0	112.8	W495 K497 H501 K502 R503	W495-N499 WeakPolarHBondContact CH2-ND2 3.41Å; W495-N499 WeakPolarHBondContact CZ2-ND2 3.48Å; W495-N499 PolarHBondContact O-N 3.21Å; K497-N499 VanDerWaalsContact C-N 3.31Å; K497-N499 PolarHBondContact O-N 3.38Å; N499-H501 VanDerWaalsContact C-N 3.35Å; N499-K502 PolarHBondContact O-N 2.84Å; N499-R503 WeakPolarHBondContact O-CG 3.27Å; N499-R503 PolarHBondContact O-N 3.32Å
500	K	84.1	Confident	73.8	Confident	158 Å²	158	88.1 Å²	88.1	69%	0.687	46%	0.457	S	S	*	.	H	α-helix	trans	-62.6	-43.5	171.7	-75.3	-174.3	176.7	-166.6	0	111.3	S496 K497 R503	S496-K500 WeakPolarHBondContact O-CG 3.39Å; S496-K500 PolarHBondContact O-N 3.23Å; K497-K500 PolarHBondContact O-N 3.19Å; K500-R503 WeakPolarHBondContact O-CB 3.23Å; K500-R503 PolarHBondContact O-N 3.07Å
501	H	84	Confident	71.8	Confident	27 Å²	27	90 Å²	90	13%	0.125	47%	0.47	C	S	.	.	H	α-helix	trans	-64.5	-38.8	176.8	173.4	84.4	0	0	0	112.5	C488 F492 K497 L498 N499 R503 I504 H505	C488-H501 PolarHBondContact SG-NE2 3.25Å; F492-H501 HydrophobicContact CE1-CB 3.84Å; F492-H501 AromaticContact CE1-CG 3.96Å; F492-H501 HydrophobicContact CE2-CB 4.14Å; F492-H501 AromaticContact CE2-CD2 3.57Å; F492-H501 AromaticContact CE2-CG 3.77Å; F492-H501 HydrophobicContact CZ-CB 3.55Å; F492-H501 AromaticContact CZ-CD2 3.49Å; F492-H501 VanDerWaalsContact CZ-CD2 3.49Å; F492-H501 WeakPolarHBondContact CZ-CD2 3.06Å; F492-H501 AromaticContact CZ-CE1 3.86Å; F492-H501 AromaticContact CZ-CG 3.21Å; F492-H501 AromaticContact CZ-ND1 3.49Å; F492-H501 WeakPolarHBondContact CZ-ND1 3.39Å; F492-H501 AromaticContact CZ-NE2 3.89Å; K497-H501 WeakPolarHBondContact O-CB 3.41Å; K497-H501 PolarHBondContact O-N 3.06Å; L498-H501 CarbonylContact O-C 3.6Å; L498-H501 PolarHBondContact O-N 3.19Å; N499-H501 VanDerWaalsContact C-N 3.35Å; H501-R503 PolarHBondContact O-N 3.4Å; H501-I504 VanDerWaalsContact O-CB 3.25Å; H501-I504 WeakPolarHBondContact O-CB 3.37Å; H501-I504 PolarHBondContact O-N 3.49Å; H501-H505 AromaticContact CD2-CD2 3.92Å; H501-H505 AromaticContact CD2-NE2 3.66Å; H501-H505 AromaticContact CE1-NE2 3.51Å; H501-H505 AromaticContact NE2-CD2 3.65Å; H501-H505 AromaticContact NE2-NE2 2.92Å; H501-H505 PolarHBondContact NE2-NE2 2.8Å
502	K	82	Confident	69.3	Low	71 Å²	71	91.9 Å²	91.9	31%	0.309	49%	0.488	S	S	.	.	H	α-helix	trans	-59.8	-31.1	175.2	-79	-172.5	172.6	-161.3	0	112.9	L498 N499 I504 H505 S506	L498-K502 HydrophobicContact CD1-CD 4.42Å; L498-K502 HydrophobicContact CD1-CG 4.09Å; L498-K502 HydrophobicContact CG-CD 4.32Å; L498-K502 HydrophobicContact CG-CG 4.34Å; L498-K502 WeakPolarHBondContact O-CB 3.49Å; L498-K502 WeakPolarHBondContact O-CG 3.45Å; L498-K502 PolarHBondContact O-N 3.44Å; N499-K502 PolarHBondContact O-N 2.84Å; K502-I504 PolarHBondContact O-N 2.74Å; K502-H505 WeakPolarHBondContact O-CB 3.19Å; K502-H505 PolarHBondContact O-N 3.12Å; K502-H505 VanDerWaalsContact O-N 3.1Å; K502-S506 PolarHBondContact O-N 3.44Å; K502-S506 VanDerWaalsContact O-N 3.17Å; K502-S506 PolarHBondContact O-OG 3.1Å
503	R	80.5	Confident	67.4	Low	148 Å²	148	96.4 Å²	96.4	56%	0.558	52%	0.518	S	S	*	.	H	α-helix	trans	-64.2	-28.4	175	-67.7	178.1	-179.7	-166.3	-5.8	113.1	N499 K500 H501 H505 S506 G507	N499-R503 WeakPolarHBondContact O-CG 3.27Å; N499-R503 PolarHBondContact O-N 3.32Å; K500-R503 WeakPolarHBondContact O-CB 3.23Å; K500-R503 PolarHBondContact O-N 3.07Å; H501-R503 PolarHBondContact O-N 3.4Å; R503-H505 VanDerWaalsContact C-N 3.25Å; R503-H505 PolarHBondContact O-N 3.44Å; R503-S506 WeakPolarHBondContact CA-OG 3.45Å; R503-S506 PolarHBondContact O-N 3.16Å; R503-S506 VanDerWaalsContact O-N 3.17Å; R503-G507 PolarHBondContact O-N 3.48Å; R503-G507 VanDerWaalsContact O-N 3.09Å
504	I	80.1	Confident	65.3	Low	130 Å²	130	108.2 Å²	108.2	67%	0.667	57%	0.571	S	S	*	*	H	α-helix	trans	-64	-36.4	173.9	-53.5	173.5	0	0	0	110.1	H501 K502	H501-I504 VanDerWaalsContact O-CB 3.25Å; H501-I504 WeakPolarHBondContact O-CB 3.37Å; H501-I504 PolarHBondContact O-N 3.49Å; K502-I504 PolarHBondContact O-N 2.74Å
505	H	77.4	Confident	64.7	Low	81 Å²	81	111.8 Å²	111.8	38%	0.375	59%	0.588	S	S	.	*	H	α-helix	trans	-79.7	-17.4	175.7	-60.4	-61.7	0	0	0	114.1	T487 C488 H501 K502 R503	T487-H505 HydrophobicContact CG2-CB 4.16Å; C488-H505 PolarHBondContact SG-NE2 3.22Å; H501-H505 AromaticContact CD2-CD2 3.92Å; H501-H505 AromaticContact CD2-NE2 3.66Å; H501-H505 AromaticContact CE1-NE2 3.51Å; H501-H505 AromaticContact NE2-CD2 3.65Å; H501-H505 AromaticContact NE2-NE2 2.92Å; H501-H505 PolarHBondContact NE2-NE2 2.8Å; K502-H505 WeakPolarHBondContact O-CB 3.19Å; K502-H505 PolarHBondContact O-N 3.12Å; K502-H505 VanDerWaalsContact O-N 3.1Å; R503-H505 VanDerWaalsContact C-N 3.25Å; R503-H505 PolarHBondContact O-N 3.44Å
506	S	67.3	Low	64	Low	75 Å²	75	110.2 Å²	110.2	52%	0.524	59%	0.591	S	S	.	*	H	α-helix	trans	-106.2	-1.7	-175.3	21	0	0	0	0	114.4	K502 R503 E508	K502-S506 PolarHBondContact O-N 3.44Å; K502-S506 VanDerWaalsContact O-N 3.17Å; K502-S506 PolarHBondContact O-OG 3.1Å; R503-S506 WeakPolarHBondContact CA-OG 3.45Å; R503-S506 PolarHBondContact O-N 3.16Å; R503-S506 VanDerWaalsContact O-N 3.17Å; S506-E508 PolarHBondContact O-N 3.29Å; S506-E508 VanDerWaalsContact O-N 3.12Å
507	G	59.3	Low	63.1	Low	69 Å²	69	112.1 Å²	112.1	71%	0.711	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	66.7	10.8	169.4	0	0	0	0	0	116.4	R503 A509	R503-G507 PolarHBondContact O-N 3.48Å; R503-G507 VanDerWaalsContact O-N 3.09Å; G507-A509 PolarHBondContact O-N 3.21Å; G507-A509 VanDerWaalsContact O-N 3.1Å
508	E	43.7	Very low	62	Low	152 Å²	152	111.6 Å²	111.6	71%	0.71	60%	0.598	S	S	*	*			trans	-81	96	176.8	-72.3	-176.6	170.7	0	0	110.4	S506	S506-E508 PolarHBondContact O-N 3.29Å; S506-E508 VanDerWaalsContact O-N 3.12Å
509	A	41.9	Very low	60.7	Low	95 Å²	95	117.9 Å²	117.9	79%	0.785	63%	0.633	S	S	*	*			trans	-53.1	140.7	166.3	0	0	0	0	0	110.9	G507 D511	G507-A509 PolarHBondContact O-N 3.21Å; G507-A509 VanDerWaalsContact O-N 3.1Å; A509-D511 PolarHBondContact O-N 3.44Å
510	Q	42.6	Very low	59.3	Low	182 Å²	182	122.3 Å²	122.3	85%	0.85	66%	0.656	S	S	*	*			trans	-65.6	120.6	167.9	-66.1	179.5	-80.9	0	0	108.4
511	D	39.9	Very low	57.5	Low	150 Å²	150	119.7 Å²	119.7	80%	0.802	65%	0.654	S	S	*	*			trans	-118.8	108.1	149.8	-152.7	2	0	0	0	107.7	A509	A509-D511 PolarHBondContact O-N 3.44Å
512	S	33.1	Very low	55.5	Low	101 Å²	101	126.8 Å²	126.8	71%	0.706	69%	0.694	S	S	*	*			trans	-158.7	94.8	159.5	64.3	0	0	0	0	106.6
513	T	38.8	Very low	53.2	Low	124 Å²	124	131.5 Å²	131.5	76%	0.761	73%	0.726	S	S	*	*			trans	-41.8	152	160.7	34.5	0	0	0	0	113.6
514	E	34.3	Very low	50.8	Low	271 Å²	271	130 Å²	130	100%	1.266	74%	0.742	S	S	*	*			trans	-4	0	171.1	-74.4	176	137.4	0	0	120.4

Retrieved 514 of 514 residues in 1876.7 ms (Link to these results)

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