A0A087XMK9_POEFO Loading...

Ubiquitin domain containing 2

AlphaFold DB , UniProt , Accession A0A087XMK9, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 272 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	44.2	Very low	42.2	Very low	250 Å²	250	136.5 Å²	136.5	100%	1.232	86%	0.86	S	S	*	*				0	90.8	0	-63.7	-171.5	-120.2	0	0	105.7
2	G	43	Very low	42.4	Very low	85 Å²	85	133.8 Å²	133.8	88%	0.876	85%	0.849	S	S	*	*				107.5	85.7	70	0	0	0	0	0	106.1
3	G	39.7	Very low	41.9	Very low	80 Å²	80	129.8 Å²	129.8	83%	0.825	85%	0.847	S	S	*	*			trans	-110.7	140.7	177.9	0	0	0	0	0	110.4
4	C	50.2	Low	41.5	Very low	135 Å²	135	128.3 Å²	128.3	91%	0.912	84%	0.841	S	S	*	*			trans	-141.7	123.1	164.4	31.3	0	0	0	0	109.3
5	V	43	Very low	41.8	Very low	144 Å²	144	130.3 Å²	130.3	87%	0.873	84%	0.84	S	S	*	*			trans	-83.7	149.3	-179.5	70.8	0	0	0	0	109.8
6	G	39.5	Very low	41.3	Very low	60 Å²	60	132 Å²	132	62%	0.619	84%	0.841	S	S	*	*			trans	-77.1	163.6	169.9	0	0	0	0	0	113
7	S	37.7	Very low	41.5	Very low	127 Å²	127	134 Å²	134	89%	0.888	84%	0.837	S	S	*	*			trans	176.7	135.5	136.4	-80.4	0	0	0	0	111.3
8	H	47.3	Very low	41.5	Very low	189 Å²	189	134.4 Å²	134.4	88%	0.875	83%	0.833	S	S	*	*			trans	-57.9	148.1	163.2	-71.7	100.8	0	0	0	111.5
9	H	40	Very low	41.1	Very low	186 Å²	186	133.5 Å²	133.5	86%	0.861	83%	0.832	S	S	*	*			trans	-151.1	122.2	144.7	-126.6	138.6	0	0	0	110.2
10	D	41.8	Very low	41.3	Very low	137 Å²	137	134.6 Å²	134.6	73%	0.733	83%	0.831	S	S	*	*			trans	-65.7	140.7	157.1	-176.5	-85.1	0	0	0	109.2
11	S	37.4	Very low	40.9	Very low	109 Å²	109	130.9 Å²	130.9	76%	0.762	82%	0.82	S	S	*	*			trans	-163.2	108.2	156.7	-82.2	0	0	0	0	111.2
12	S	45.1	Very low	41.1	Very low	104 Å²	104	126 Å²	126	73%	0.727	80%	0.804	S	S	*	*			trans	-42	132.7	156.9	55.3	0	0	0	0	113.8
13	G	35.4	Very low	40.6	Very low	81 Å²	81	124.9 Å²	124.9	84%	0.835	79%	0.793	S	S	*	*			trans	-119	105.4	161.9	0	0	0	0	0	109.7
14	S	36	Very low	40.9	Very low	109 Å²	109	127 Å²	127	76%	0.762	79%	0.79	S	S	*	*			trans	-62.9	160.9	176.2	-61.3	0	0	0	0	113.8
15	L	46.3	Very low	40.4	Very low	158 Å²	158	124.4 Å²	124.4	83%	0.827	78%	0.778	S	S	*	*			trans	-21.6	138.5	165.2	-73.8	76.3	0	0	0	115.5
16	N	33.7	Very low	40.5	Very low	158 Å²	158	125.4 Å²	125.4	85%	0.845	78%	0.778	S	S	*	*				-163.3	142.5	114	-150	33.7	0	0	0	113.1
17	E	44.9	Very low	40.9	Very low	166 Å²	166	126.2 Å²	126.2	78%	0.776	79%	0.786	S	S	*	*			trans	-58.6	156.1	173.5	-108.4	142.5	61	0	0	115
18	N	41.7	Very low	41.6	Very low	142 Å²	142	130.2 Å²	130.2	76%	0.759	78%	0.781	S	S	*	*			trans	66.8	101.5	147.9	-160.6	63	0	0	0	118
19	S	34.3	Very low	42.4	Very low	117 Å²	117	126.2 Å²	126.2	82%	0.818	77%	0.767	S	S	*	*			trans	-144.9	93.1	149	-62.4	0	0	0	0	108.4	G21	S19-G21 VanDerWaalsContact C-N 3.3Å; S19-G21 PolarHBondContact O-N 2.91Å
20	D	44.9	Very low	43.9	Very low	154 Å²	154	121.2 Å²	121.2	82%	0.824	74%	0.744	S	S	*	*			trans	-39.3	105.4	138.3	-168.6	-97.8	0	0	0	107.6
21	G	33.6	Very low	45.3	Very low	58 Å²	58	119.1 Å²	119.1	60%	0.598	74%	0.738	S	S	*	*			trans	-145.6	83.8	-168.7	0	0	0	0	0	107.2	S19 G23	S19-G21 VanDerWaalsContact C-N 3.3Å; S19-G21 PolarHBondContact O-N 2.91Å; G21-G23 PolarHBondContact O-N 2.88Å
22	T	46.8	Very low	47.1	Very low	146 Å²	146	114.6 Å²	114.6	90%	0.896	71%	0.705	S	S	*	*			trans	-51	83.3	160.5	32.5	0	0	0	0	110
23	G	33.8	Very low	48.4	Very low	62 Å²	62	114.8 Å²	114.8	64%	0.639	69%	0.693	S	S	*	*			trans	-129	92	173.9	0	0	0	0	0	108.6	G21 A25	G21-G23 PolarHBondContact O-N 2.88Å; G23-A25 VanDerWaalsContact C-N 3.27Å; G23-A25 PolarHBondContact O-N 2.91Å
24	V	46.2	Very low	49.9	Very low	124 Å²	124	119.2 Å²	119.2	75%	0.752	68%	0.684	S	S	*	*			trans	-65.2	89.2	172.2	-171.1	0	0	0	0	108	L26	V24-L26 HydrophobicContact CB-CD1 4.31Å; V24-L26 HydrophobicContact CG1-CD1 3.44Å; V24-L26 VanDerWaalsContact CG1-CD1 3.44Å; V24-L26 HydrophobicContact CG1-CG 4.24Å; V24-L26 PolarHBondContact O-N 3.19Å
25	A	39.2	Very low	51.3	Low	82 Å²	82	121.8 Å²	121.8	68%	0.678	68%	0.684	S	S	*	*			trans	-76.5	81.1	166.4	0	0	0	0	0	108.3	G23 G27	G23-A25 VanDerWaalsContact C-N 3.27Å; G23-A25 PolarHBondContact O-N 2.91Å; A25-G27 VanDerWaalsContact C-N 3.35Å; A25-G27 PolarHBondContact O-N 2.83Å
26	L	45.7	Very low	52.4	Low	165 Å²	165	118.7 Å²	118.7	86%	0.864	66%	0.661	S	S	*	*	T	Hydrogen-bonded Turn	trans	-56.7	98.2	162.2	-86.1	100.2	0	0	0	108	V24	V24-L26 HydrophobicContact CB-CD1 4.31Å; V24-L26 HydrophobicContact CG1-CD1 3.44Å; V24-L26 VanDerWaalsContact CG1-CD1 3.44Å; V24-L26 HydrophobicContact CG1-CG 4.24Å; V24-L26 PolarHBondContact O-N 3.19Å
27	G	47.7	Very low	54.1	Low	76 Å²	76	112.9 Å²	112.9	78%	0.784	63%	0.632	S	S	*	*	T	Hydrogen-bonded Turn	trans	154.3	-10.2	171.5	0	0	0	0	0	117.1	A25	A25-G27 VanDerWaalsContact C-N 3.35Å; A25-G27 PolarHBondContact O-N 2.83Å
28	R	52.4	Low	54.8	Low	211 Å²	211	114.5 Å²	114.5	80%	0.796	64%	0.637	S	S	*	*			trans	-121	108.1	171	-81.8	157.3	89.5	174.1	3.7	108.8	Q30	R28-Q30 PolarHBondContact O-N 2.85Å
29	N	63	Low	56.1	Low	105 Å²	105	109.6 Å²	109.6	56%	0.561	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-51.6	132.6	163.3	62.8	85.1	0	0	0	107.6	T99	N29-T99 HydrophobicContact CB-CG2 4.42Å
30	Q	71.4	Confident	57.1	Low	82 Å²	82	111.7 Å²	111.7	38%	0.383	60%	0.602	S	S	.	*	P	Polyproline II helix	trans	-91.3	137.2	176	-71.2	-173.1	74.1	0	0	108.4	R28 L100 P101	R28-Q30 PolarHBondContact O-N 2.85Å; Q30-L100 PolarHBondContact N-O 3.2Å; Q30-P101 PolarHBondContact NE2-O 3.03Å
31	P	71.4	Confident	57.9	Low	93 Å²	93	105.4 Å²	105.4	60%	0.604	57%	0.57	S	S	*	*	P	Polyproline II helix	trans	-59.1	149.1	171.9	26.9	-33.8	0	0	0	109.7	K33	P31-K33 PolarHBondContact O-N 3.4Å; P31-K33 VanDerWaalsContact O-N 3.13Å
32	L	76.3	Confident	58.7	Low	14 Å²	14	109.1 Å²	109.1	7%	0.073	58%	0.576	C	S	.	*	P	Polyproline II helix	trans	-54.2	120.5	-178.9	-179.2	66	0	0	0	110.9	R34 F81 A89 L93 L100 L105	L32-R34 PolarHBondContact O-N 3.2Å; L32-F81 HydrophobicContact CD2-CD2 3.9Å; L32-F81 HydrophobicContact CD2-CE2 4.38Å; L32-F81 HydrophobicContact CG-CD2 4.45Å; L32-F81 HydrophobicContact CG-CE2 4.47Å; L32-A89 HydrophobicContact CD2-CB 3.49Å; L32-A89 VanDerWaalsContact CD2-CB 3.49Å; L32-L93 HydrophobicContact CB-CD1 4.17Å; L32-L93 HydrophobicContact CD1-CD1 4.16Å; L32-L93 HydrophobicContact CD2-CD1 3.91Å; L32-L93 HydrophobicContact CG-CD1 4.31Å; L32-L100 HydrophobicContact CB-CD1 4.17Å; L32-L100 HydrophobicContact CD1-CD1 3.68Å; L32-L105 HydrophobicContact CD1-CB 4.38Å; L32-L105 HydrophobicContact CD1-CD1 3.62Å; L32-L105 HydrophobicContact CD1-CG 3.54Å; L32-L105 HydrophobicContact CD2-CD1 3.96Å; L32-L105 HydrophobicContact CG-CD1 4.4Å
33	K	71.6	Confident	59.1	Low	108 Å²	108	108.9 Å²	108.9	47%	0.47	56%	0.56	S	S	.	*	P	Polyproline II helix	trans	-64.4	131.2	174	-74.4	176.2	172.9	163.3	0	108.7	P31 E35 F81 H102 G103	P31-K33 PolarHBondContact O-N 3.4Å; P31-K33 VanDerWaalsContact O-N 3.13Å; K33-E35 PolarHBondContact O-N 2.66Å; K33-F81 VanDerWaalsContact O-CE2 3.24Å; K33-F81 WeakPolarHBondContact O-CE2 3.47Å; K33-H102 VanDerWaalsContact CE-O 3.26Å; K33-H102 WeakPolarHBondContact CE-O 2.99Å; K33-H102 PolarHBondContact NZ-O 2.99Å; K33-G103 VanDerWaalsContact CB-O 3.27Å; K33-G103 WeakPolarHBondContact CB-O 3.01Å; K33-G103 WeakPolarHBondContact CG-O 3.28Å; K33-G103 PolarHBondContact N-O 3.03Å
34	R	66.5	Low	60.3	Low	174 Å²	174	109 Å²	109	66%	0.657	55%	0.549	S	S	*	.			trans	-70.9	-8.4	176.8	-55.4	-177.1	67.9	165.9	4.3	113.2	L32 H86	L32-R34 PolarHBondContact O-N 3.2Å; R34-H86 VanDerWaalsContact CA-CE1 3.42Å; R34-H86 WeakPolarHBondContact CA-CE1 3.47Å; R34-H86 VanDerWaalsContact CB-CE1 3.43Å; R34-H86 WeakPolarHBondContact CB-CE1 3.31Å; R34-H86 HydrophobicContact CG-CB 4.32Å; R34-H86 PolarHBondContact NE-CD2 3.04Å; R34-H86 PolarHBondContact NE-NE2 3.02Å; R34-H86 VanDerWaalsContact NE-NE2 3.12Å; R34-H86 PolarHBondContact NH2-CD2 2.87Å; R34-H86 PolarHBondContact O-CE1 3.36Å
35	E	66.6	Low	61.1	Low	163 Å²	163	105 Å²	105	76%	0.762	52%	0.523	S	S	*	.	P	Polyproline II helix	trans	-84	118.2	-173.5	-170.4	173	103.2	0	0	111.2	K33	K33-E35 PolarHBondContact O-N 2.66Å
36	R	68.5	Low	62.7	Low	92 Å²	92	102 Å²	102	35%	0.347	50%	0.497	S	S	.	.	P	Polyproline II helix	trans	-70.4	129.4	174.3	-73.3	177.8	159.3	-155.2	2.2	110.2	K38 F81 E82	R36-K38 PolarHBondContact O-N 3.11Å; R36-K38 VanDerWaalsContact O-N 3.13Å; R36-F81 HydrophobicContact CB-CE1 4.27Å; R36-F81 HydrophobicContact CG-CD1 4.36Å; R36-F81 HydrophobicContact CG-CE1 3.55Å; R36-F81 HydrophobicContact CG-CZ 3.98Å; R36-E82 VanDerWaalsContact NH2-CA 3.27Å; R36-E82 PolarHBondContact NH2-O 2.71Å
37	P	69.9	Low	63.9	Low	37 Å²	37	98.7 Å²	98.7	24%	0.24	48%	0.477	C	S	.	.	P	Polyproline II helix	trans	-63.2	118.2	176.3	23.8	-30	0	0	0	109.7	W39 V120 L123 S124	P37-W39 PolarHBondContact O-N 2.8Å; P37-V120 HydrophobicContact CB-CG1 4.12Å; P37-V120 HydrophobicContact CG-CG1 4.36Å; P37-L123 HydrophobicContact CG-CB 4.17Å; P37-L123 HydrophobicContact CG-CD1 4.44Å; P37-S124 PolarHBondContact O-OG 2.86Å
38	K	60.3	Low	65.1	Low	200 Å²	200	96.9 Å²	96.9	87%	0.87	46%	0.458	S	S	*	.			trans	-82.4	111.5	175.7	-65.5	175.5	-176.6	174.6	0	108.4	R36	R36-K38 PolarHBondContact O-N 3.11Å; R36-K38 VanDerWaalsContact O-N 3.13Å
39	W	68.6	Low	66.2	Low	39 Å²	39	92.2 Å²	92.2	15%	0.148	45%	0.445	C	S	.	.			trans	-129.4	153.1	179.2	73.3	-76	0	0	0	111.6	P37 S41 L50 V120 S124 P126 V127	P37-W39 PolarHBondContact O-N 2.8Å; W39-S41 VanDerWaalsContact CZ3-CA 3.48Å; W39-L50 HydrophobicContact CH2-CD1 4.22Å; W39-L50 HydrophobicContact CZ2-CD1 4.05Å; W39-V120 HydrophobicContact CB-CB 4.11Å; W39-V120 HydrophobicContact CB-CG2 3.67Å; W39-V120 HydrophobicContact CD2-CB 4.33Å; W39-V120 HydrophobicContact CD2-CG2 3.57Å; W39-V120 HydrophobicContact CE3-CG2 3.95Å; W39-V120 HydrophobicContact CG-CB 3.8Å; W39-V120 HydrophobicContact CG-CG2 3.41Å; W39-V120 VanDerWaalsContact CG-CG2 3.41Å; W39-V120 PolarHBondContact NE1-O 3.4Å; W39-S124 PolarHBondContact NE1-O 2.98Å; W39-S124 PolarHBondContact NE1-OG 3.49Å; W39-P126 HydrophobicContact CD2-CB 4.1Å; W39-P126 HydrophobicContact CE3-CB 4.24Å; W39-P126 HydrophobicContact CH2-CB 3.69Å; W39-P126 HydrophobicContact CH2-CG 3.9Å; W39-P126 HydrophobicContact CZ2-CB 3.52Å; W39-P126 VanDerWaalsContact CZ2-CD 3.49Å; W39-P126 HydrophobicContact CZ2-CG 3.73Å; W39-P126 HydrophobicContact CZ3-CB 4.07Å; W39-P126 CarbonylContact O-C 3.58Å; W39-P126 VanDerWaalsContact O-CA 3.23Å; W39-P126 WeakPolarHBondContact O-CA 3.42Å; W39-V127 WeakPolarHBondContact O-CG2 3.27Å; W39-V127 PolarHBondContact O-N 3.15Å
40	K	54.8	Low	66.8	Low	160 Å²	160	88 Å²	88	70%	0.696	42%	0.423	S	S	*	.			trans	-108.1	132.1	174.2	57.9	-179.9	-175.9	177.3	0	108.9	V127 N128	K40-V127 HydrophobicContact CB-CG2 4.34Å; K40-N128 WeakPolarHBondContact CB-ND2 3.31Å
41	S	60.8	Low	66.9	Low	23 Å²	23	90.8 Å²	90.8	16%	0.161	43%	0.429	C	S	.	.			trans	-71.8	137.3	167.5	-173.8	0	0	0	0	109.3	W39 Y43	W39-S41 VanDerWaalsContact CZ3-CA 3.48Å; S41-Y43 WeakPolarHBondContact CB-O 3.46Å; S41-Y43 PolarHBondContact O-N 2.87Å; S41-Y43 PolarHBondContact OG-O 3.48Å
42	D	50.5	Low	67.3	Low	135 Å²	135	89.8 Å²	89.8	72%	0.722	43%	0.425	S	S	*	.	S	Bend	trans	-64.4	-32.5	176.9	-162	-113.2	0	0	0	111
43	Y	56.8	Low	67.3	Low	142 Å²	142	94.2 Å²	94.2	56%	0.557	44%	0.443	S	S	*	.	S	Bend	trans	-113	128	171.4	-66.3	-89.9	0	0	0	109.7	S41 M45	S41-Y43 WeakPolarHBondContact CB-O 3.46Å; S41-Y43 PolarHBondContact O-N 2.87Å; S41-Y43 PolarHBondContact OG-O 3.48Å; Y43-M45 PolarHBondContact O-N 3.34Å
44	P	58.5	Low	67.8	Low	64 Å²	64	92.1 Å²	92.1	42%	0.416	43%	0.433	S	S	.	.			trans	-64.5	124.3	175.8	31.5	-35.7	0	0	0	108.4	I130	P44-I130 HydrophobicContact CB-CD1 3.74Å; P44-I130 HydrophobicContact CB-CG1 4.06Å; P44-I130 HydrophobicContact CG-CD1 4.29Å
45	M	63.6	Low	68.4	Low	39 Å²	39	88.3 Å²	88.3	19%	0.192	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.8	146.1	-169.7	-168.6	149.1	87.6	0	0	109.3	Y43 Q49 L50 K53 I130	Y43-M45 PolarHBondContact O-N 3.34Å; M45-Q49 HydrophobicContact CE-CB 4.4Å; M45-Q49 HydrophobicContact CG-CB 3.19Å; M45-Q49 HydrophobicContact CG-CG 4.19Å; M45-Q49 HydrophobicContact SD-CB 3.74Å; M45-L50 HydrophobicContact CE-CB 4.4Å; M45-L50 HydrophobicContact CE-CD1 4.45Å; M45-K53 HydrophobicContact CE-CB 4.04Å; M45-K53 HydrophobicContact CE-CD 3.67Å; M45-I130 PolarHBondContact O-N 2.88Å; M45-I130 VanDerWaalsContact O-N 3.11Å
46	T	72.9	Confident	69.1	Low	21 Å²	21	87 Å²	87	13%	0.129	42%	0.419	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	163.6	-179.9	61.1	0	0	0	0	111.7	G48 Q49 L50 I130 E132	T46-G48 VanDerWaalsContact C-N 3.28Å; T46-G48 PolarHBondContact O-N 3.04Å; T46-Q49 PolarHBondContact O-N 3.46Å; T46-Q49 VanDerWaalsContact OG1-CG 3.29Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.39Å; T46-Q49 PolarHBondContact OG1-N 2.76Å; T46-L50 PolarHBondContact O-N 2.96Å; T46-I130 VanDerWaalsContact CA-O 3.3Å; T46-I130 WeakPolarHBondContact CA-O 3.32Å; T46-I130 HydrophobicContact CG2-CB 3.99Å; T46-I130 HydrophobicContact CG2-CG2 4.07Å; T46-E132 HydrophobicContact CG2-CB 4.02Å; T46-E132 HydrophobicContact CG2-CG 4.3Å; T46-E132 WeakPolarHBondContact CG2-OE2 3.03Å; T46-E132 PolarHBondContact OG1-OE2 3.11Å
47	E	69.8	Low	69.6	Low	95 Å²	95	84.5 Å²	84.5	44%	0.444	41%	0.411	S	S	.	.	H	α-helix	trans	-53.8	-46.7	174.5	-172.4	165.1	123.9	0	0	112.4	Q49 L50 R51 M129	E47-Q49 VanDerWaalsContact C-N 3.34Å; E47-Q49 PolarHBondContact O-N 2.83Å; E47-L50 PolarHBondContact O-N 2.83Å; E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 PolarHBondContact O-N 2.75Å; E47-R51 IonicContact OE1-CZ 3.52Å; E47-R51 IonicContact OE1-NH2 3.4Å; E47-R51 PolarHBondContact OE1-NH2 3.09Å; E47-M129 HydrophobicContact CB-CE 3.34Å; E47-M129 HydrophobicContact CG-CE 3.28Å; E47-M129 WeakPolarHBondContact OE2-CE 3.26Å
48	G	73.6	Confident	70	Confident	38 Å²	38	83.4 Å²	83.4	39%	0.392	40%	0.402	S	S	.	.	H	α-helix	trans	-60.9	-43.6	-179.7	0	0	0	0	0	111.7	T46 R51 S52	T46-G48 VanDerWaalsContact C-N 3.28Å; T46-G48 PolarHBondContact O-N 3.04Å; G48-R51 WeakPolarHBondContact O-CB 3.16Å; G48-R51 PolarHBondContact O-N 3.28Å; G48-S52 PolarHBondContact O-N 2.79Å; G48-S52 PolarHBondContact O-OG 3.2Å; G48-S52 VanDerWaalsContact O-OG 3.1Å
49	Q	74.8	Confident	70.9	Confident	113 Å²	113	79.7 Å²	79.7	53%	0.528	39%	0.391	S	S	.	.	H	α-helix	trans	-66.9	-39.3	177.8	-71	-71.5	-45.6	0	0	112.5	M45 T46 E47 R51 S52 K53	M45-Q49 HydrophobicContact CE-CB 4.4Å; M45-Q49 HydrophobicContact CG-CB 3.19Å; M45-Q49 HydrophobicContact CG-CG 4.19Å; M45-Q49 HydrophobicContact SD-CB 3.74Å; T46-Q49 PolarHBondContact O-N 3.46Å; T46-Q49 VanDerWaalsContact OG1-CG 3.29Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.39Å; T46-Q49 PolarHBondContact OG1-N 2.76Å; E47-Q49 VanDerWaalsContact C-N 3.34Å; E47-Q49 PolarHBondContact O-N 2.83Å; Q49-R51 VanDerWaalsContact C-N 3.35Å; Q49-S52 PolarHBondContact O-N 3.24Å; Q49-K53 WeakPolarHBondContact O-CB 3.29Å; Q49-K53 PolarHBondContact O-N 2.95Å
50	L	75.2	Confident	71.2	Confident	17 Å²	17	81.2 Å²	81.2	9%	0.089	41%	0.405	C	S	.	.	H	α-helix	trans	-62.5	-43.7	172.1	-179.4	70.6	0	0	0	111.2	W39 M45 T46 E47 K53 R54 P125 P126 M129	W39-L50 HydrophobicContact CH2-CD1 4.22Å; W39-L50 HydrophobicContact CZ2-CD1 4.05Å; M45-L50 HydrophobicContact CE-CB 4.4Å; M45-L50 HydrophobicContact CE-CD1 4.45Å; T46-L50 PolarHBondContact O-N 2.96Å; E47-L50 PolarHBondContact O-N 2.83Å; L50-K53 PolarHBondContact O-N 3.41Å; L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.03Å; L50-R54 PolarHBondContact O-N 2.74Å; L50-P125 HydrophobicContact CD2-CB 4.26Å; L50-P126 VanDerWaalsContact CD2-CD 3.45Å; L50-P126 HydrophobicContact CD2-CG 4.47Å; L50-M129 HydrophobicContact CD2-CE 4.15Å
51	R	74.2	Confident	71.9	Confident	139 Å²	139	73.8 Å²	73.8	53%	0.525	37%	0.374	S	S	.	.	H	α-helix	trans	-62.7	-45.8	178.2	-168.3	-172.8	-62.4	-168.9	2.3	111.1	E47 G48 Q49 R54 D55	E47-R51 WeakPolarHBondContact O-CB 3.47Å; E47-R51 PolarHBondContact O-N 2.75Å; E47-R51 IonicContact OE1-CZ 3.52Å; E47-R51 IonicContact OE1-NH2 3.4Å; E47-R51 PolarHBondContact OE1-NH2 3.09Å; G48-R51 WeakPolarHBondContact O-CB 3.16Å; G48-R51 PolarHBondContact O-N 3.28Å; Q49-R51 VanDerWaalsContact C-N 3.35Å; R51-R54 PolarHBondContact O-N 3.42Å; R51-D55 WeakPolarHBondContact O-CB 3.28Å; R51-D55 PolarHBondContact O-N 2.98Å
52	S	78.7	Confident	72.1	Confident	72 Å²	72	74.9 Å²	74.9	50%	0.503	38%	0.38	S	S	.	.	H	α-helix	trans	-62.7	-42.8	176	-62.9	0	0	0	0	111.9	G48 Q49 D55 E56	G48-S52 PolarHBondContact O-N 2.79Å; G48-S52 PolarHBondContact O-OG 3.2Å; G48-S52 VanDerWaalsContact O-OG 3.1Å; Q49-S52 PolarHBondContact O-N 3.24Å; S52-D55 PolarHBondContact O-N 2.87Å; S52-E56 WeakPolarHBondContact O-CB 3.35Å; S52-E56 PolarHBondContact O-N 3.4Å
53	K	77.1	Confident	72.7	Confident	107 Å²	107	72.7 Å²	72.7	47%	0.465	38%	0.381	S	S	.	.	H	α-helix	trans	-67.5	-36.4	177.4	-167.5	166.6	-169.5	133	0	112.6	M45 Q49 L50 F57	M45-K53 HydrophobicContact CE-CB 4.04Å; M45-K53 HydrophobicContact CE-CD 3.67Å; Q49-K53 WeakPolarHBondContact O-CB 3.29Å; Q49-K53 PolarHBondContact O-N 2.95Å; L50-K53 PolarHBondContact O-N 3.41Å; K53-F57 WeakPolarHBondContact O-CB 3.37Å; K53-F57 PolarHBondContact O-N 2.87Å
54	R	82.2	Confident	72.8	Confident	65 Å²	65	74 Å²	74	25%	0.245	39%	0.39	C	S	.	.	H	α-helix	trans	-63.9	-45.2	171.9	177.8	175.5	77	165.5	3	110.3	L50 R51 F57 W58 E82	L50-R54 VanDerWaalsContact O-CB 3.26Å; L50-R54 WeakPolarHBondContact O-CB 3.03Å; L50-R54 PolarHBondContact O-N 2.74Å; R51-R54 PolarHBondContact O-N 3.42Å; R54-F57 PolarHBondContact O-N 3.26Å; R54-W58 VanDerWaalsContact CG-CD1 3.48Å; R54-W58 PolarHBondContact O-N 3.28Å; R54-E82 IonicContact CZ-OE2 2.74Å; R54-E82 IonicContact NH1-OE1 3.81Å; R54-E82 PolarHBondContact NH1-OE1 2.87Å; R54-E82 IonicContact NH1-OE2 3.21Å; R54-E82 PolarHBondContact NH1-OE2 3.41Å
55	D	78.8	Confident	72.9	Confident	94 Å²	94	78.5 Å²	78.5	50%	0.503	41%	0.405	S	S	.	.	H	α-helix	trans	-65.7	-44.2	-179.4	-159.2	-116.9	0	0	0	111.9	R51 S52 F57 W58 D59 R75	R51-D55 WeakPolarHBondContact O-CB 3.28Å; R51-D55 PolarHBondContact O-N 2.98Å; S52-D55 PolarHBondContact O-N 2.87Å; D55-F57 VanDerWaalsContact C-N 3.31Å; D55-F57 PolarHBondContact O-N 3.25Å; D55-W58 CarbonylContact O-C 3.59Å; D55-W58 PolarHBondContact O-N 2.91Å; D55-W58 VanDerWaalsContact O-N 3.11Å; D55-D59 WeakPolarHBondContact O-CB 3.4Å; D55-D59 PolarHBondContact O-N 2.8Å; D55-R75 IonicContact OD2-NH2 2.8Å; D55-R75 PolarHBondContact OD2-NH2 2.95Å
56	E	81.2	Confident	73.2	Confident	135 Å²	135	78.5 Å²	78.5	63%	0.631	42%	0.415	S	S	*	.	H	α-helix	trans	-59.6	-41.8	173.8	-172.7	177	86.2	0	0	111.7	S52 D59 T60	S52-E56 WeakPolarHBondContact O-CB 3.35Å; S52-E56 PolarHBondContact O-N 3.4Å; E56-D59 PolarHBondContact O-N 3.08Å; E56-T60 WeakPolarHBondContact O-CB 3.49Å; E56-T60 PolarHBondContact O-N 3.46Å; E56-T60 PolarHBondContact O-OG1 2.76Å
57	F	80.1	Confident	73.5	Confident	40 Å²	40	83 Å²	83	18%	0.175	43%	0.43	C	S	.	.	H	α-helix	trans	-61.6	-46.3	173.5	179.3	-95.3	0	0	0	111.4	K53 R54 D55 D59 T60 A61 W71 P119 Y121 C122	K53-F57 WeakPolarHBondContact O-CB 3.37Å; K53-F57 PolarHBondContact O-N 2.87Å; R54-F57 PolarHBondContact O-N 3.26Å; D55-F57 VanDerWaalsContact C-N 3.31Å; D55-F57 PolarHBondContact O-N 3.25Å; F57-D59 VanDerWaalsContact C-N 3.34Å; F57-D59 PolarHBondContact O-N 3.02Å; F57-T60 PolarHBondContact O-N 3.47Å; F57-T60 PolarHBondContact O-OG1 2.9Å; F57-A61 HydrophobicContact CD1-CB 4.4Å; F57-A61 HydrophobicContact CE1-CB 4.12Å; F57-A61 HydrophobicContact CZ-CB 4.4Å; F57-A61 WeakPolarHBondContact O-CA 3.34Å; F57-A61 WeakPolarHBondContact O-CB 3.43Å; F57-A61 PolarHBondContact O-N 3.48Å; F57-W71 HydrophobicContact CE1-CH2 4.36Å; F57-W71 HydrophobicContact CE1-CZ3 4.04Å; F57-W71 HydrophobicContact CZ-CH2 4.13Å; F57-W71 HydrophobicContact CZ-CZ3 4.28Å; F57-P119 HydrophobicContact CD2-CG 4.24Å; F57-P119 HydrophobicContact CE1-CG 4.31Å; F57-P119 HydrophobicContact CE2-CG 3.75Å; F57-P119 HydrophobicContact CZ-CG 3.79Å; F57-Y121 HydrophobicContact CB-CE2 4.13Å; F57-Y121 WeakPolarHBondContact CD2-OH 3.34Å; F57-Y121 HydrophobicContact CG-CE2 4.32Å; F57-C122 VanDerWaalsContact CD1-SG 3.52Å
58	W	77.4	Confident	74.1	Confident	14 Å²	14	85.8 Å²	85.8	5%	0.053	44%	0.441	C	S	.	.	H	α-helix	trans	-72.4	-24.7	-179.5	-74.5	115.9	0	0	0	114.3	R54 D55 P62 W71 L74 R75 A78 L118 C122	R54-W58 VanDerWaalsContact CG-CD1 3.48Å; R54-W58 PolarHBondContact O-N 3.28Å; D55-W58 CarbonylContact O-C 3.59Å; D55-W58 PolarHBondContact O-N 2.91Å; D55-W58 VanDerWaalsContact O-N 3.11Å; W58-P62 WeakPolarHBondContact O-CD 3.38Å; W58-W71 HydrophobicContact CE3-CE3 4.24Å; W58-W71 AromaticContact CZ3-CE3 3.71Å; W58-W71 HydrophobicContact CZ3-CE3 3.71Å; W58-W71 HydrophobicContact CZ3-CZ3 4.23Å; W58-W71 VanDerWaalsContact CZ3-O 3.31Å; W58-W71 WeakPolarHBondContact CZ3-O 3.44Å; W58-L74 HydrophobicContact CH2-CB 4.06Å; W58-L74 HydrophobicContact CZ3-CB 4.27Å; W58-R75 HydrophobicContact CD2-CB 4.17Å; W58-R75 HydrophobicContact CD2-CG 3.76Å; W58-R75 HydrophobicContact CE3-CB 3.8Å; W58-R75 HydrophobicContact CE3-CG 3.89Å; W58-R75 HydrophobicContact CG-CG 4.25Å; W58-R75 HydrophobicContact CH2-CB 3.77Å; W58-R75 HydrophobicContact CH2-CG 4.25Å; W58-R75 HydrophobicContact CZ2-CB 4.14Å; W58-R75 HydrophobicContact CZ2-CG 4.14Å; W58-R75 HydrophobicContact CZ3-CB 3.56Å; W58-R75 HydrophobicContact CZ3-CG 4.11Å; W58-A78 HydrophobicContact CZ2-CB 4.31Å; W58-L118 HydrophobicContact CH2-CD2 3.86Å; W58-L118 HydrophobicContact CZ2-CD2 4.22Å; W58-C122 HydrophobicContact CZ2-CB 4.25Å
59	D	78.4	Confident	74.7	Confident	121 Å²	121	90.5 Å²	90.5	65%	0.647	45%	0.452	S	S	*	.	H	α-helix	trans	-71.8	-38.5	172.7	-170.5	-105.2	0	0	0	111	D55 E56 F57	D55-D59 WeakPolarHBondContact O-CB 3.4Å; D55-D59 PolarHBondContact O-N 2.8Å; E56-D59 PolarHBondContact O-N 3.08Å; F57-D59 VanDerWaalsContact C-N 3.34Å; F57-D59 PolarHBondContact O-N 3.02Å
60	T	75.6	Confident	75.3	Confident	72 Å²	72	85.6 Å²	85.6	44%	0.442	43%	0.43	S	S	.	.	H	α-helix	trans	-90.2	-23.9	-179.3	53.6	0	0	0	0	114.6	E56 F57 A63 F64	E56-T60 WeakPolarHBondContact O-CB 3.49Å; E56-T60 PolarHBondContact O-N 3.46Å; E56-T60 PolarHBondContact O-OG1 2.76Å; F57-T60 PolarHBondContact O-N 3.47Å; F57-T60 PolarHBondContact O-OG1 2.9Å; T60-A63 VanDerWaalsContact O-CB 3.3Å; T60-A63 WeakPolarHBondContact O-CB 2.95Å; T60-A63 PolarHBondContact O-N 2.88Å; T60-F64 PolarHBondContact O-N 2.8Å
61	A	68.9	Low	75.8	Confident	4 Å²	4	85.8 Å²	85.8	3%	0.033	43%	0.429	C	S	.	.	H	α-helix	trans	-52.5	-46.7	178.1	0	0	0	0	0	114.4	F57 A63 F64 W71	F57-A61 HydrophobicContact CD1-CB 4.4Å; F57-A61 HydrophobicContact CE1-CB 4.12Å; F57-A61 HydrophobicContact CZ-CB 4.4Å; F57-A61 WeakPolarHBondContact O-CA 3.34Å; F57-A61 WeakPolarHBondContact O-CB 3.43Å; F57-A61 PolarHBondContact O-N 3.48Å; A61-A63 PolarHBondContact O-N 2.78Å; A61-A63 VanDerWaalsContact O-N 3.13Å; A61-F64 PolarHBondContact O-N 2.78Å; A61-F64 VanDerWaalsContact O-N 3.1Å; A61-W71 HydrophobicContact CB-CD2 3.86Å; A61-W71 HydrophobicContact CB-CE3 3.78Å; A61-W71 HydrophobicContact CB-CH2 4.04Å; A61-W71 HydrophobicContact CB-CZ2 4.12Å; A61-W71 HydrophobicContact CB-CZ3 3.87Å; A61-W71 PolarHBondContact O-NE1 2.8Å
62	P	66.1	Low	76.5	Confident	45 Å²	45	84.1 Å²	84.1	29%	0.292	43%	0.431	S	S	.	.	H	α-helix	trans	-67.7	-11	177.8	27.1	-35.4	0	0	0	113.8	W58 K68	W58-P62 WeakPolarHBondContact O-CD 3.38Å; P62-K68 HydrophobicContact CB-CB 4.41Å; P62-K68 HydrophobicContact CB-CG 4.03Å
63	A	62.9	Low	77	Confident	89 Å²	89	81.2 Å²	81.2	74%	0.736	41%	0.411	S	S	*	.	H	α-helix	trans	-89.4	-16.8	174.7	0	0	0	0	0	113.2	T60 A61	T60-A63 VanDerWaalsContact O-CB 3.3Å; T60-A63 WeakPolarHBondContact O-CB 2.95Å; T60-A63 PolarHBondContact O-N 2.88Å; A61-A63 PolarHBondContact O-N 2.78Å; A61-A63 VanDerWaalsContact O-N 3.13Å
64	F	59.5	Low	77.5	Confident	170 Å²	170	76.1 Å²	76.1	75%	0.746	39%	0.389	S	S	*	.	H	α-helix	trans	-91.5	-33.3	-166.6	-143.3	-92.9	0	0	0	114.2	T60 A61	T60-F64 PolarHBondContact O-N 2.8Å; A61-F64 PolarHBondContact O-N 2.78Å; A61-F64 VanDerWaalsContact O-N 3.1Å
65	E	59.7	Low	77.7	Confident	158 Å²	158	77.5 Å²	77.5	74%	0.738	39%	0.394	S	S	*	.	S	Bend	trans	177.1	150.4	168.3	-107.5	165.6	100.2	0	0	111	W71	E65-W71 PolarHBondContact O-NE1 2.93Å
66	G	69.5	Low	78.2	Confident	39 Å²	39	75 Å²	75	40%	0.402	39%	0.386	S	S	.	.	S	Bend	trans	91.9	178.4	174.2	0	0	0	0	0	116.1	Y116	G66-Y116 VanDerWaalsContact CA-OH 3.3Å; G66-Y116 WeakPolarHBondContact CA-OH 3.38Å
67	R	80.1	Confident	78.5	Confident	116 Å²	116	68.5 Å²	68.5	44%	0.438	36%	0.356	S	S	.	.			trans	-72.9	134.2	175.6	-66.5	-174.6	-164.5	-153.7	8.2	111.5	E69 I70 W71 L112 Y116	R67-E69 PolarHBondContact O-N 2.77Å; R67-I70 HydrophobicContact CB-CG1 4.02Å; R67-I70 PolarHBondContact O-N 3.24Å; R67-I70 VanDerWaalsContact O-N 3.1Å; R67-W71 PolarHBondContact O-N 3.4Å; R67-L112 VanDerWaalsContact NH2-CD1 3.28Å; R67-Y116 PolarHBondContact N-OH 2.78Å
68	K	82.1	Confident	78.8	Confident	154 Å²	154	66.8 Å²	66.8	67%	0.67	35%	0.349	S	S	*	.	H	α-helix	trans	-56.9	-33.1	173.5	-174.3	-175.5	177.9	-170.5	0	112.4	P62 I70 W71 D72	P62-K68 HydrophobicContact CB-CB 4.41Å; P62-K68 HydrophobicContact CB-CG 4.03Å; K68-I70 VanDerWaalsContact C-N 3.3Å; K68-I70 PolarHBondContact O-N 2.88Å; K68-W71 PolarHBondContact O-N 3.15Å; K68-D72 PolarHBondContact O-N 3.12Å
69	E	86	Confident	79.1	Confident	137 Å²	137	69 Å²	69	64%	0.64	37%	0.367	S	S	*	.	H	α-helix	trans	-60	-39.8	177.3	-63.1	166.7	101.2	0	0	112	R67 D72 A73	R67-E69 PolarHBondContact O-N 2.77Å; E69-D72 PolarHBondContact O-N 2.99Å; E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.14Å
70	I	87.9	Confident	79.4	Confident	10 Å²	10	63.6 Å²	63.6	5%	0.051	34%	0.339	C	S	.	.	H	α-helix	trans	-70.6	-40.9	178.4	-57.2	-60.9	0	0	0	110.4	R67 K68 D72 A73 L74 A96 I98 D110 Y116	R67-I70 HydrophobicContact CB-CG1 4.02Å; R67-I70 PolarHBondContact O-N 3.24Å; R67-I70 VanDerWaalsContact O-N 3.1Å; K68-I70 VanDerWaalsContact C-N 3.3Å; K68-I70 PolarHBondContact O-N 2.88Å; I70-D72 VanDerWaalsContact C-N 3.35Å; I70-D72 PolarHBondContact O-N 3.34Å; I70-A73 PolarHBondContact O-N 2.91Å; I70-L74 HydrophobicContact CG2-CD1 3.86Å; I70-L74 HydrophobicContact CG2-CG 4.36Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 WeakPolarHBondContact O-CD1 3.44Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 3.44Å; I70-A96 HydrophobicContact CD1-CB 4.25Å; I70-A96 VanDerWaalsContact CD1-O 3.29Å; I70-A96 WeakPolarHBondContact CD1-O 3.41Å; I70-I98 HydrophobicContact CD1-CG1 4.28Å; I70-I98 HydrophobicContact CG2-CD1 3.89Å; I70-I98 HydrophobicContact CG2-CG1 4.08Å; I70-D110 VanDerWaalsContact CD1-OD2 3.3Å; I70-D110 WeakPolarHBondContact CD1-OD2 3.37Å; I70-Y116 HydrophobicContact CB-CE1 3.95Å; I70-Y116 HydrophobicContact CB-CE2 4.27Å; I70-Y116 HydrophobicContact CG2-CD1 4.05Å; I70-Y116 HydrophobicContact CG2-CD2 3.92Å; I70-Y116 HydrophobicContact CG2-CE1 3.72Å; I70-Y116 HydrophobicContact CG2-CE2 3.62Å; I70-Y116 HydrophobicContact CG2-CG 4.14Å; I70-Y116 VanDerWaalsContact CG2-CZ 3.48Å
71	W	86.4	Confident	79.8	Confident	20 Å²	20	60.4 Å²	60.4	8%	0.076	32%	0.319	C	S	.	.	H	α-helix	trans	-63	-39.4	173.9	-78.7	113.7	0	0	0	112.6	F57 W58 A61 E65 R67 K68 L74 R75 Y116 L118	F57-W71 HydrophobicContact CE1-CH2 4.36Å; F57-W71 HydrophobicContact CE1-CZ3 4.04Å; F57-W71 HydrophobicContact CZ-CH2 4.13Å; F57-W71 HydrophobicContact CZ-CZ3 4.28Å; W58-W71 HydrophobicContact CE3-CE3 4.24Å; W58-W71 AromaticContact CZ3-CE3 3.71Å; W58-W71 HydrophobicContact CZ3-CE3 3.71Å; W58-W71 HydrophobicContact CZ3-CZ3 4.23Å; W58-W71 VanDerWaalsContact CZ3-O 3.31Å; W58-W71 WeakPolarHBondContact CZ3-O 3.44Å; A61-W71 HydrophobicContact CB-CD2 3.86Å; A61-W71 HydrophobicContact CB-CE3 3.78Å; A61-W71 HydrophobicContact CB-CH2 4.04Å; A61-W71 HydrophobicContact CB-CZ2 4.12Å; A61-W71 HydrophobicContact CB-CZ3 3.87Å; A61-W71 PolarHBondContact O-NE1 2.8Å; E65-W71 PolarHBondContact O-NE1 2.93Å; R67-W71 PolarHBondContact O-N 3.4Å; K68-W71 PolarHBondContact O-N 3.15Å; W71-L74 HydrophobicContact CE3-CD1 4.21Å; W71-L74 PolarHBondContact O-N 3.18Å; W71-R75 WeakPolarHBondContact O-CB 3.15Å; W71-R75 PolarHBondContact O-N 3.02Å; W71-Y116 AromaticContact CD1-CE1 3.77Å; W71-Y116 HydrophobicContact CD2-CD1 4.01Å; W71-Y116 HydrophobicContact CD2-CE1 4.33Å; W71-Y116 AromaticContact CE2-CD1 3.56Å; W71-Y116 AromaticContact CE2-CE1 3.89Å; W71-Y116 HydrophobicContact CG-CD1 4.42Å; W71-Y116 HydrophobicContact CG-CE1 4.29Å; W71-Y116 HydrophobicContact CH2-CD1 4.41Å; W71-Y116 AromaticContact CZ2-CD1 3.8Å; W71-Y116 HydrophobicContact CZ2-CD1 3.8Å; W71-Y116 HydrophobicContact CZ2-CE1 4.48Å; W71-Y116 AromaticContact NE1-CD1 3.68Å; W71-Y116 AromaticContact NE1-CE1 3.5Å; W71-L118 HydrophobicContact CZ3-CD1 4.31Å; W71-L118 HydrophobicContact CZ3-CG 4.41Å
72	D	87.8	Confident	80.3	Confident	104 Å²	104	63.4 Å²	63.4	56%	0.556	33%	0.332	S	S	*	.	H	α-helix	trans	-63.7	-46.8	174.8	-171.8	-103.8	0	0	0	111.6	K68 E69 I70 L74 R75 A76	K68-D72 PolarHBondContact O-N 3.12Å; E69-D72 PolarHBondContact O-N 2.99Å; I70-D72 VanDerWaalsContact C-N 3.35Å; I70-D72 PolarHBondContact O-N 3.34Å; D72-L74 PolarHBondContact O-N 2.89Å; D72-R75 WeakPolarHBondContact O-CB 3.43Å; D72-R75 PolarHBondContact O-N 2.91Å; D72-A76 PolarHBondContact O-N 3.07Å
73	A	89.9	Confident	81	Confident	12 Å²	12	65.6 Å²	65.6	10%	0.099	35%	0.349	C	S	.	.	H	α-helix	trans	-60.6	-43	174.8	0	0	0	0	0	112.2	E69 I70 R75 A76 A77 I92 A96 I98	E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.14Å; I70-A73 PolarHBondContact O-N 2.91Å; A73-R75 VanDerWaalsContact C-N 3.3Å; A73-R75 PolarHBondContact O-N 3.18Å; A73-A76 PolarHBondContact O-N 2.74Å; A73-A77 VanDerWaalsContact O-CB 3.29Å; A73-A77 WeakPolarHBondContact O-CB 3.45Å; A73-A77 PolarHBondContact O-N 2.88Å; A73-I92 HydrophobicContact CB-CG2 3.92Å; A73-I92 WeakPolarHBondContact O-CG2 3.5Å; A73-A96 HydrophobicContact CB-CB 3.52Å; A73-I98 HydrophobicContact CB-CD1 4.21Å
74	L	87.4	Confident	81.8	Confident	0 Å²	0	65.9 Å²	65.9	0%	0	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-37.6	176.3	-75.5	164.5	0	0	0	112.1	W58 I70 W71 D72 A78 L93 I98 L105 C108 Y116 L118	W58-L74 HydrophobicContact CH2-CB 4.06Å; W58-L74 HydrophobicContact CZ3-CB 4.27Å; I70-L74 HydrophobicContact CG2-CD1 3.86Å; I70-L74 HydrophobicContact CG2-CG 4.36Å; I70-L74 WeakPolarHBondContact O-CB 3.31Å; I70-L74 WeakPolarHBondContact O-CD1 3.44Å; I70-L74 WeakPolarHBondContact O-CG 3.34Å; I70-L74 PolarHBondContact O-N 3.44Å; W71-L74 HydrophobicContact CE3-CD1 4.21Å; W71-L74 PolarHBondContact O-N 3.18Å; D72-L74 PolarHBondContact O-N 2.89Å; L74-A78 VanDerWaalsContact O-CB 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.49Å; L74-A78 PolarHBondContact O-N 3.12Å; L74-L93 HydrophobicContact CD2-CD2 4.45Å; L74-I98 HydrophobicContact CD2-CD1 4Å; L74-I98 HydrophobicContact CG-CD1 3.94Å; L74-L105 HydrophobicContact CD2-CD2 4.23Å; L74-C108 HydrophobicContact CD2-CB 3.87Å; L74-C108 WeakPolarHBondContact CD2-SG 3.19Å; L74-Y116 HydrophobicContact CD1-CD1 3.91Å; L74-Y116 HydrophobicContact CD1-CG 3.93Å; L74-L118 HydrophobicContact CB-CD2 4.31Å; L74-L118 HydrophobicContact CD1-CD1 3.94Å; L74-L118 HydrophobicContact CD2-CD1 4.04Å; L74-L118 HydrophobicContact CD2-CD2 4.46Å; L74-L118 HydrophobicContact CG-CD1 4.4Å
75	R	86.4	Confident	83.1	Confident	94 Å²	94	61 Å²	61	36%	0.355	32%	0.319	S	S	.	.	H	α-helix	trans	-66.3	-45.3	175.8	-162.7	178.8	-152.6	171.9	1.1	111.3	D55 W58 W71 D72 A73 A78 S79	D55-R75 IonicContact OD2-NH2 2.8Å; D55-R75 PolarHBondContact OD2-NH2 2.95Å; W58-R75 HydrophobicContact CD2-CB 4.17Å; W58-R75 HydrophobicContact CD2-CG 3.76Å; W58-R75 HydrophobicContact CE3-CB 3.8Å; W58-R75 HydrophobicContact CE3-CG 3.89Å; W58-R75 HydrophobicContact CG-CG 4.25Å; W58-R75 HydrophobicContact CH2-CB 3.77Å; W58-R75 HydrophobicContact CH2-CG 4.25Å; W58-R75 HydrophobicContact CZ2-CB 4.14Å; W58-R75 HydrophobicContact CZ2-CG 4.14Å; W58-R75 HydrophobicContact CZ3-CB 3.56Å; W58-R75 HydrophobicContact CZ3-CG 4.11Å; W71-R75 WeakPolarHBondContact O-CB 3.15Å; W71-R75 PolarHBondContact O-N 3.02Å; D72-R75 WeakPolarHBondContact O-CB 3.43Å; D72-R75 PolarHBondContact O-N 2.91Å; A73-R75 VanDerWaalsContact C-N 3.3Å; A73-R75 PolarHBondContact O-N 3.18Å; R75-A78 PolarHBondContact O-N 2.99Å; R75-S79 PolarHBondContact O-N 2.92Å
76	A	88.7	Confident	84.2	Confident	40 Å²	40	54.4 Å²	54.4	33%	0.331	29%	0.289	S	S	.	.	H	α-helix	trans	-64.2	-42.8	176.3	0	0	0	0	0	111.6	D72 A73 A78 S79 A80 I92	D72-A76 PolarHBondContact O-N 3.07Å; A73-A76 PolarHBondContact O-N 2.74Å; A76-A78 PolarHBondContact O-N 3.5Å; A76-S79 PolarHBondContact O-N 3.13Å; A76-A80 WeakPolarHBondContact O-CB 3.29Å; A76-A80 PolarHBondContact O-N 3.2Å; A76-I92 HydrophobicContact CB-CD1 3.95Å; A76-I92 HydrophobicContact CB-CG2 4.21Å
77	A	88.3	Confident	85.1	Confident	0 Å²	0	59.7 Å²	59.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-63.1	-41.2	175.2	0	0	0	0	0	111.8	A73 A80 F81 I92 L93 L105	A73-A77 VanDerWaalsContact O-CB 3.29Å; A73-A77 WeakPolarHBondContact O-CB 3.45Å; A73-A77 PolarHBondContact O-N 2.88Å; A77-A80 PolarHBondContact O-N 2.8Å; A77-F81 VanDerWaalsContact O-CB 3.25Å; A77-F81 WeakPolarHBondContact O-CB 3.38Å; A77-F81 PolarHBondContact O-N 3.47Å; A77-I92 HydrophobicContact CB-CB 4.3Å; A77-I92 HydrophobicContact CB-CG2 4.07Å; A77-L93 HydrophobicContact CB-CD1 4.48Å; A77-L93 HydrophobicContact CB-CG 4.2Å; A77-L105 HydrophobicContact CB-CD2 4.13Å
78	A	84.8	Confident	85.5	Confident	3 Å²	3	58.3 Å²	58.3	3%	0.025	31%	0.308	C	S	.	.	H	α-helix	trans	-62.6	-40.8	174.3	0	0	0	0	0	111.9	W58 L74 R75 A76 F81 E82 L123	W58-A78 HydrophobicContact CZ2-CB 4.31Å; L74-A78 VanDerWaalsContact O-CB 3.29Å; L74-A78 WeakPolarHBondContact O-CB 3.49Å; L74-A78 PolarHBondContact O-N 3.12Å; R75-A78 PolarHBondContact O-N 2.99Å; A76-A78 PolarHBondContact O-N 3.5Å; A78-F81 CarbonylContact O-C 3.56Å; A78-F81 WeakPolarHBondContact O-CB 3.28Å; A78-F81 PolarHBondContact O-N 2.89Å; A78-E82 WeakPolarHBondContact O-CG 3.34Å; A78-E82 PolarHBondContact O-N 3.22Å; A78-L123 HydrophobicContact CB-CD2 3.9Å
79	S	84.2	Confident	85.8	Confident	62 Å²	62	51 Å²	51	43%	0.434	28%	0.276	S	S	.	.	H	α-helix	trans	-68.4	-39.3	176.7	-174.3	0	0	0	0	112.9	R75 A76 F81 E82 S83	R75-S79 PolarHBondContact O-N 2.92Å; A76-S79 PolarHBondContact O-N 3.13Å; S79-F81 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 2.83Å; S79-E82 WeakPolarHBondContact O-CB 3.5Å; S79-E82 PolarHBondContact O-N 3.26Å; S79-E82 VanDerWaalsContact O-N 3.15Å; S79-S83 PolarHBondContact O-N 3.07Å; S79-S83 PolarHBondContact O-OG 2.9Å
80	A	86.3	Confident	85.7	Confident	6 Å²	6	47.1 Å²	47.1	5%	0.05	26%	0.258	C	S	.	.	H	α-helix	trans	-63.8	-38.9	171.8	0	0	0	0	0	111.3	A76 A77 E82 S83 N84 D85 L88 A89 I92	A76-A80 WeakPolarHBondContact O-CB 3.29Å; A76-A80 PolarHBondContact O-N 3.2Å; A77-A80 PolarHBondContact O-N 2.8Å; A80-E82 VanDerWaalsContact C-N 3.29Å; A80-E82 PolarHBondContact O-N 2.97Å; A80-S83 CarbonylContact O-C 3.54Å; A80-S83 PolarHBondContact O-N 2.77Å; A80-S83 VanDerWaalsContact O-N 3.15Å; A80-N84 PolarHBondContact O-N 3.38Å; A80-D85 PolarHBondContact O-N 3.06Å; A80-L88 HydrophobicContact CB-CB 4.13Å; A80-L88 HydrophobicContact CB-CD2 3.89Å; A80-L88 HydrophobicContact CB-CG 3.91Å; A80-A89 HydrophobicContact CB-CB 3.9Å; A80-I92 HydrophobicContact CB-CD1 4.3Å
81	F	82.5	Confident	85.8	Confident	5 Å²	5	49.4 Å²	49.4	2%	0.022	28%	0.278	C	S	.	.	H	α-helix	trans	-63.4	-34.5	172.6	-167.2	-104.8	0	0	0	112.3	L32 K33 R36 A77 A78 S79 N84 H86 L105	L32-F81 HydrophobicContact CD2-CD2 3.9Å; L32-F81 HydrophobicContact CD2-CE2 4.38Å; L32-F81 HydrophobicContact CG-CD2 4.45Å; L32-F81 HydrophobicContact CG-CE2 4.47Å; K33-F81 VanDerWaalsContact O-CE2 3.24Å; K33-F81 WeakPolarHBondContact O-CE2 3.47Å; R36-F81 HydrophobicContact CB-CE1 4.27Å; R36-F81 HydrophobicContact CG-CD1 4.36Å; R36-F81 HydrophobicContact CG-CE1 3.55Å; R36-F81 HydrophobicContact CG-CZ 3.98Å; A77-F81 VanDerWaalsContact O-CB 3.25Å; A77-F81 WeakPolarHBondContact O-CB 3.38Å; A77-F81 PolarHBondContact O-N 3.47Å; A78-F81 CarbonylContact O-C 3.56Å; A78-F81 WeakPolarHBondContact O-CB 3.28Å; A78-F81 PolarHBondContact O-N 2.89Å; S79-F81 VanDerWaalsContact C-N 3.3Å; S79-F81 PolarHBondContact O-N 2.83Å; F81-N84 PolarHBondContact O-N 2.83Å; F81-H86 AromaticContact CD2-ND1 3.94Å; F81-H86 AromaticContact CE2-ND1 3.9Å; F81-L105 HydrophobicContact CB-CD1 3.98Å; F81-L105 HydrophobicContact CD1-CD1 4.35Å; F81-L105 HydrophobicContact CD2-CD1 4.03Å; F81-L105 HydrophobicContact CG-CD1 3.88Å
82	E	79.2	Confident	86	Confident	67 Å²	67	50.3 Å²	50.3	31%	0.313	28%	0.284	S	S	.	.	H	α-helix	trans	-64.2	-40.5	171.8	-74.6	-173.5	107.6	0	0	112.1	R36 R54 A78 S79 A80 N84	R36-E82 VanDerWaalsContact NH2-CA 3.27Å; R36-E82 PolarHBondContact NH2-O 2.71Å; R54-E82 IonicContact CZ-OE2 2.74Å; R54-E82 IonicContact NH1-OE1 3.81Å; R54-E82 PolarHBondContact NH1-OE1 2.87Å; R54-E82 IonicContact NH1-OE2 3.21Å; R54-E82 PolarHBondContact NH1-OE2 3.41Å; A78-E82 WeakPolarHBondContact O-CG 3.34Å; A78-E82 PolarHBondContact O-N 3.22Å; S79-E82 WeakPolarHBondContact O-CB 3.5Å; S79-E82 PolarHBondContact O-N 3.26Å; S79-E82 VanDerWaalsContact O-N 3.15Å; A80-E82 VanDerWaalsContact C-N 3.29Å; A80-E82 PolarHBondContact O-N 2.97Å; E82-N84 PolarHBondContact O-N 3.46Å
83	S	81.2	Confident	86	Confident	92 Å²	92	45.4 Å²	45.4	64%	0.643	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77	6	177.7	-59.4	0	0	0	0	114	S79 A80 D85	S79-S83 PolarHBondContact O-N 3.07Å; S79-S83 PolarHBondContact O-OG 2.9Å; A80-S83 CarbonylContact O-C 3.54Å; A80-S83 PolarHBondContact O-N 2.77Å; A80-S83 VanDerWaalsContact O-N 3.15Å; S83-D85 PolarHBondContact O-N 2.85Å
84	N	80.9	Confident	85.8	Confident	94 Å²	94	50.9 Å²	50.9	50%	0.503	29%	0.285	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.5	21.5	-176.3	-149.5	98.2	0	0	0	113.2	A80 F81 E82 H86	A80-N84 PolarHBondContact O-N 3.38Å; F81-N84 PolarHBondContact O-N 2.83Å; E82-N84 PolarHBondContact O-N 3.46Å; N84-H86 PolarHBondContact ND2-NE2 3.09Å; N84-H86 PolarHBondContact O-CD2 3.29Å; N84-H86 PolarHBondContact O-N 3.11Å
85	D	86.8	Confident	85.8	Confident	67 Å²	67	54 Å²	54	36%	0.358	32%	0.318	S	S	.	.			trans	-96.9	85.4	177	-165.9	-19.7	0	0	0	110.2	A80 S83 L87 L88 A89	A80-D85 PolarHBondContact O-N 3.06Å; S83-D85 PolarHBondContact O-N 2.85Å; D85-L87 VanDerWaalsContact C-N 3.32Å; D85-L87 PolarHBondContact OD1-N 3.27Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 WeakPolarHBondContact OD1-CB 3.1Å; D85-L88 PolarHBondContact OD1-N 3.21Å; D85-A89 WeakPolarHBondContact O-CB 3.31Å; D85-A89 PolarHBondContact O-N 3.12Å; D85-A89 VanDerWaalsContact O-N 3.11Å
86	H	82.7	Confident	85.8	Confident	21 Å²	21	50.4 Å²	50.4	10%	0.097	31%	0.308	C	S	.	.	H	α-helix	trans	-74.9	-24.4	-178	-48.8	-78	0	0	0	112.8	R34 F81 N84 Q90	R34-H86 VanDerWaalsContact CA-CE1 3.42Å; R34-H86 WeakPolarHBondContact CA-CE1 3.47Å; R34-H86 VanDerWaalsContact CB-CE1 3.43Å; R34-H86 WeakPolarHBondContact CB-CE1 3.31Å; R34-H86 HydrophobicContact CG-CB 4.32Å; R34-H86 PolarHBondContact NE-CD2 3.04Å; R34-H86 PolarHBondContact NE-NE2 3.02Å; R34-H86 VanDerWaalsContact NE-NE2 3.12Å; R34-H86 PolarHBondContact NH2-CD2 2.87Å; R34-H86 PolarHBondContact O-CE1 3.36Å; F81-H86 AromaticContact CD2-ND1 3.94Å; F81-H86 AromaticContact CE2-ND1 3.9Å; N84-H86 PolarHBondContact ND2-NE2 3.09Å; N84-H86 PolarHBondContact O-CD2 3.29Å; N84-H86 PolarHBondContact O-N 3.11Å; H86-Q90 WeakPolarHBondContact O-CB 3.44Å; H86-Q90 PolarHBondContact O-N 3.48Å
87	L	87.3	Confident	85.8	Confident	150 Å²	150	51 Å²	51	79%	0.785	31%	0.31	S	S	*	.	H	α-helix	trans	-71.3	-46.5	178.7	-70.1	168.7	0	0	0	109.5	D85 Q90 A91	D85-L87 VanDerWaalsContact C-N 3.32Å; D85-L87 PolarHBondContact OD1-N 3.27Å; L87-Q90 PolarHBondContact O-N 3.27Å; L87-A91 VanDerWaalsContact O-CB 3.32Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.22Å
88	L	89	Confident	85.6	Confident	87 Å²	87	51.6 Å²	51.6	46%	0.455	31%	0.313	S	S	.	.	H	α-helix	trans	-61.9	-46.5	173.9	-178.8	61.4	0	0	0	111.1	A80 D85 Q90 A91 I92	A80-L88 HydrophobicContact CB-CB 4.13Å; A80-L88 HydrophobicContact CB-CD2 3.89Å; A80-L88 HydrophobicContact CB-CG 3.91Å; D85-L88 HydrophobicContact CB-CB 4.14Å; D85-L88 WeakPolarHBondContact OD1-CB 3.1Å; D85-L88 PolarHBondContact OD1-N 3.21Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.48Å; L88-A91 PolarHBondContact O-N 3.13Å; L88-I92 HydrophobicContact CD1-CD1 4.14Å; L88-I92 HydrophobicContact CD1-CG1 4.37Å; L88-I92 HydrophobicContact CG-CD1 3.9Å; L88-I92 WeakPolarHBondContact O-CD1 3.26Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 3.44Å
89	A	87.3	Confident	85.6	Confident	0 Å²	0	54.3 Å²	54.3	0%	0	33%	0.329	C	S	.	.	H	α-helix	trans	-58.7	-45.6	177.6	0	0	0	0	0	112	L32 A80 D85 I92 L93	L32-A89 HydrophobicContact CD2-CB 3.49Å; L32-A89 VanDerWaalsContact CD2-CB 3.49Å; A80-A89 HydrophobicContact CB-CB 3.9Å; D85-A89 WeakPolarHBondContact O-CB 3.31Å; D85-A89 PolarHBondContact O-N 3.12Å; D85-A89 VanDerWaalsContact O-N 3.11Å; A89-I92 PolarHBondContact O-N 3.23Å; A89-L93 VanDerWaalsContact O-CD1 3.3Å; A89-L93 WeakPolarHBondContact O-CD1 3.49Å; A89-L93 WeakPolarHBondContact O-CG 3.36Å; A89-L93 PolarHBondContact O-N 3.25Å
90	Q	85.4	Confident	85.6	Confident	56 Å²	56	51.6 Å²	51.6	26%	0.262	31%	0.31	S	S	.	.	H	α-helix	trans	-64.4	-40.1	176.4	-174.6	69.4	13.4	0	0	112	H86 L87 L88 I92 L93 D94	H86-Q90 WeakPolarHBondContact O-CB 3.44Å; H86-Q90 PolarHBondContact O-N 3.48Å; L87-Q90 PolarHBondContact O-N 3.27Å; L88-Q90 VanDerWaalsContact C-N 3.35Å; L88-Q90 PolarHBondContact O-N 3.48Å; Q90-I92 VanDerWaalsContact C-N 3.32Å; Q90-I92 PolarHBondContact O-N 3.02Å; Q90-L93 PolarHBondContact O-N 3.35Å; Q90-D94 VanDerWaalsContact O-CB 3.31Å; Q90-D94 WeakPolarHBondContact O-CB 3.33Å; Q90-D94 PolarHBondContact O-N 3.21Å
91	A	89.6	Confident	85.1	Confident	58 Å²	58	53.7 Å²	53.7	48%	0.479	32%	0.323	S	S	.	.	H	α-helix	trans	-64.5	-36.9	177.2	0	0	0	0	0	112	L87 L88 G95	L87-A91 VanDerWaalsContact O-CB 3.32Å; L87-A91 WeakPolarHBondContact O-CB 3.49Å; L87-A91 PolarHBondContact O-N 3.22Å; L88-A91 PolarHBondContact O-N 3.13Å; A91-G95 PolarHBondContact O-N 3.26Å
92	I	90.5	Very high	84.6	Confident	38 Å²	38	58.2 Å²	58.2	20%	0.195	34%	0.344	C	S	.	.	H	α-helix	trans	-67	-44.5	174.7	-65.2	161.1	0	0	0	110.6	A73 A76 A77 A80 L88 A89 Q90 G95 A96	A73-I92 HydrophobicContact CB-CG2 3.92Å; A73-I92 WeakPolarHBondContact O-CG2 3.5Å; A76-I92 HydrophobicContact CB-CD1 3.95Å; A76-I92 HydrophobicContact CB-CG2 4.21Å; A77-I92 HydrophobicContact CB-CB 4.3Å; A77-I92 HydrophobicContact CB-CG2 4.07Å; A80-I92 HydrophobicContact CB-CD1 4.3Å; L88-I92 HydrophobicContact CD1-CD1 4.14Å; L88-I92 HydrophobicContact CD1-CG1 4.37Å; L88-I92 HydrophobicContact CG-CD1 3.9Å; L88-I92 WeakPolarHBondContact O-CD1 3.26Å; L88-I92 VanDerWaalsContact O-CG1 3.23Å; L88-I92 WeakPolarHBondContact O-CG1 3.46Å; L88-I92 PolarHBondContact O-N 3.44Å; A89-I92 PolarHBondContact O-N 3.23Å; Q90-I92 VanDerWaalsContact C-N 3.32Å; Q90-I92 PolarHBondContact O-N 3.02Å; I92-G95 PolarHBondContact O-N 3.39Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 2.94Å; I92-A96 VanDerWaalsContact O-N 3.07Å
93	L	87.8	Confident	84.5	Confident	2 Å²	2	55 Å²	55	1%	0.01	33%	0.329	C	S	.	.	H	α-helix	trans	-61.1	-46.9	176.4	-75.8	150.4	0	0	0	111.8	L32 L74 A77 A89 Q90 A96 S97 I98 L100 L105	L32-L93 HydrophobicContact CB-CD1 4.17Å; L32-L93 HydrophobicContact CD1-CD1 4.16Å; L32-L93 HydrophobicContact CD2-CD1 3.91Å; L32-L93 HydrophobicContact CG-CD1 4.31Å; L74-L93 HydrophobicContact CD2-CD2 4.45Å; A77-L93 HydrophobicContact CB-CD1 4.48Å; A77-L93 HydrophobicContact CB-CG 4.2Å; A89-L93 VanDerWaalsContact O-CD1 3.3Å; A89-L93 WeakPolarHBondContact O-CD1 3.49Å; A89-L93 WeakPolarHBondContact O-CG 3.36Å; A89-L93 PolarHBondContact O-N 3.25Å; Q90-L93 PolarHBondContact O-N 3.35Å; L93-A96 PolarHBondContact O-N 3.27Å; L93-S97 PolarHBondContact O-N 3.27Å; L93-I98 HydrophobicContact CB-CB 4.48Å; L93-I98 HydrophobicContact CD2-CB 3.87Å; L93-I98 HydrophobicContact CD2-CD1 4.21Å; L93-I98 HydrophobicContact CD2-CG2 3.6Å; L93-I98 WeakPolarHBondContact O-CB 3.33Å; L93-I98 PolarHBondContact O-N 3.17Å; L93-L100 HydrophobicContact CD1-CD1 4.03Å; L93-L100 HydrophobicContact CD2-CD1 4.33Å; L93-L100 HydrophobicContact CD2-CD2 4.11Å; L93-L100 HydrophobicContact CD2-CG 4.35Å; L93-L105 HydrophobicContact CD1-CD2 4.36Å; L93-L105 HydrophobicContact CD2-CD2 4.17Å
94	D	86.6	Confident	84.4	Confident	126 Å²	126	52 Å²	52	67%	0.674	31%	0.31	S	S	*	.	H	α-helix	trans	-64	-45.5	178.2	-174.4	-103.5	0	0	0	111.7	Q90 A96 S97	Q90-D94 VanDerWaalsContact O-CB 3.31Å; Q90-D94 WeakPolarHBondContact O-CB 3.33Å; Q90-D94 PolarHBondContact O-N 3.21Å; D94-A96 PolarHBondContact O-N 2.83Å; D94-S97 PolarHBondContact O-N 3.1Å
95	G	85.8	Confident	84.4	Confident	66 Å²	66	47.8 Å²	47.8	68%	0.68	29%	0.287	S	S	*	.	H	α-helix	trans	-64.9	-23.2	177.7	0	0	0	0	0	114.1	A91 I92	A91-G95 PolarHBondContact O-N 3.26Å; I92-G95 PolarHBondContact O-N 3.39Å
96	A	87.7	Confident	84.1	Confident	18 Å²	18	46.3 Å²	46.3	15%	0.149	28%	0.28	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.1	9.8	175.1	0	0	0	0	0	113.3	I70 A73 I92 L93 D94 I98	I70-A96 HydrophobicContact CD1-CB 4.25Å; I70-A96 VanDerWaalsContact CD1-O 3.29Å; I70-A96 WeakPolarHBondContact CD1-O 3.41Å; A73-A96 HydrophobicContact CB-CB 3.52Å; I92-A96 WeakPolarHBondContact O-CB 3.4Å; I92-A96 PolarHBondContact O-N 2.94Å; I92-A96 VanDerWaalsContact O-N 3.07Å; L93-A96 PolarHBondContact O-N 3.27Å; D94-A96 PolarHBondContact O-N 2.83Å; A96-I98 HydrophobicContact CB-CD1 3.62Å; A96-I98 HydrophobicContact CB-CG1 3.74Å; A96-I98 PolarHBondContact O-N 3.06Å; A96-I98 VanDerWaalsContact O-N 3.15Å
97	S	87.2	Confident	84.1	Confident	54 Å²	54	48.2 Å²	48.2	38%	0.378	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.8	28.8	-176	-57.2	0	0	0	0	113.7	L93 D94 E111	L93-S97 PolarHBondContact O-N 3.27Å; D94-S97 PolarHBondContact O-N 3.1Å; S97-E111 PolarHBondContact OG-OE1 3.41Å
98	I	86	Confident	84	Confident	12 Å²	12	41 Å²	41	6%	0.062	25%	0.252	C	S	.	.			trans	-86.7	124.8	-177.6	-58	169.4	0	0	0	109.4	I70 A73 L74 L93 A96 L100 C108 Y109	I70-I98 HydrophobicContact CD1-CG1 4.28Å; I70-I98 HydrophobicContact CG2-CD1 3.89Å; I70-I98 HydrophobicContact CG2-CG1 4.08Å; A73-I98 HydrophobicContact CB-CD1 4.21Å; L74-I98 HydrophobicContact CD2-CD1 4Å; L74-I98 HydrophobicContact CG-CD1 3.94Å; L93-I98 HydrophobicContact CB-CB 4.48Å; L93-I98 HydrophobicContact CD2-CB 3.87Å; L93-I98 HydrophobicContact CD2-CD1 4.21Å; L93-I98 HydrophobicContact CD2-CG2 3.6Å; L93-I98 WeakPolarHBondContact O-CB 3.33Å; L93-I98 PolarHBondContact O-N 3.17Å; A96-I98 HydrophobicContact CB-CD1 3.62Å; A96-I98 HydrophobicContact CB-CG1 3.74Å; A96-I98 PolarHBondContact O-N 3.06Å; A96-I98 VanDerWaalsContact O-N 3.15Å; I98-L100 HydrophobicContact CG2-CD2 4.42Å; I98-C108 HydrophobicContact CG2-CB 3.63Å; I98-Y109 CarbonylContact C-O 3.55Å; I98-Y109 WeakPolarHBondContact CA-O 3.34Å
99	T	83.9	Confident	83.8	Confident	60 Å²	60	40.5 Å²	40.5	37%	0.368	24%	0.244	S	C	.	.	B	Isolated β-bridge	trans	-103.6	138.1	177.1	60.8	0	0	0	0	111.4	N29 Y109	N29-T99 HydrophobicContact CB-CG2 4.42Å; T99-Y109 PolarHBondContact N-O 2.73Å; T99-Y109 PolarHBondContact O-N 3.49Å; T99-Y109 WeakPolarHBondContact OG1-CB 3.48Å; T99-Y109 PolarHBondContact OG1-O 2.77Å
100	L	83.6	Confident	83.9	Confident	5 Å²	5	40.8 Å²	40.8	3%	0.026	25%	0.246	C	C	.	.			trans	-113.8	105.1	178.1	-56.7	179.4	0	0	0	109.3	Q30 L32 L93 I98 H102 C108	Q30-L100 PolarHBondContact N-O 3.2Å; L32-L100 HydrophobicContact CB-CD1 4.17Å; L32-L100 HydrophobicContact CD1-CD1 3.68Å; L93-L100 HydrophobicContact CD1-CD1 4.03Å; L93-L100 HydrophobicContact CD2-CD1 4.33Å; L93-L100 HydrophobicContact CD2-CD2 4.11Å; L93-L100 HydrophobicContact CD2-CG 4.35Å; I98-L100 HydrophobicContact CG2-CD2 4.42Å; L100-H102 VanDerWaalsContact C-N 3.3Å; L100-H102 PolarHBondContact O-N 3.27Å; L100-C108 HydrophobicContact CD2-CB 4.04Å; L100-C108 WeakPolarHBondContact CD2-SG 3.07Å
101	P	76.1	Confident	83.8	Confident	50 Å²	50	44.7 Å²	44.7	33%	0.325	26%	0.264	S	S	.	.	S	Bend	trans	-69.5	-29.6	179.1	25.5	-32.6	0	0	0	112.4	Q30 Y109	Q30-P101 PolarHBondContact NE2-O 3.03Å; P101-Y109 HydrophobicContact CG-CD2 3.74Å; P101-Y109 HydrophobicContact CG-CE2 3.45Å; P101-Y109 VanDerWaalsContact CG-CE2 3.45Å
102	H	72.8	Confident	83.5	Confident	100 Å²	100	46.5 Å²	46.5	46%	0.463	27%	0.265	S	S	.	.	S	Bend	trans	-106.2	-0.6	-179.9	-62.8	-62.8	0	0	0	113.7	K33 L100 A104	K33-H102 VanDerWaalsContact CE-O 3.26Å; K33-H102 WeakPolarHBondContact CE-O 2.99Å; K33-H102 PolarHBondContact NZ-O 2.99Å; L100-H102 VanDerWaalsContact C-N 3.3Å; L100-H102 PolarHBondContact O-N 3.27Å; H102-A104 PolarHBondContact O-N 3.46Å
103	G	75.4	Confident	83	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	28%	0.282	C	S	.	.	S	Bend	trans	67.4	17	-172.7	0	0	0	0	0	113.4	K33	K33-G103 VanDerWaalsContact CB-O 3.27Å; K33-G103 WeakPolarHBondContact CB-O 3.01Å; K33-G103 WeakPolarHBondContact CG-O 3.28Å; K33-G103 PolarHBondContact N-O 3.03Å
104	A	80.1	Confident	82.8	Confident	28 Å²	28	50.2 Å²	50.2	23%	0.231	30%	0.298	C	S	.	.			trans	-114.1	133.9	-177.8	0	0	0	0	0	110.5	H102 T106 E107	H102-A104 PolarHBondContact O-N 3.46Å; A104-T106 WeakPolarHBondContact CB-OG1 3.32Å; A104-T106 PolarHBondContact O-N 3.24Å; A104-T106 VanDerWaalsContact O-N 3.08Å; A104-E107 PolarHBondContact O-N 2.86Å
105	L	80.3	Confident	82.8	Confident	6 Å²	6	50.4 Å²	50.4	3%	0.031	29%	0.289	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.6	-10.8	174.5	-88.8	153.7	0	0	0	113.5	L32 L74 A77 F81 L93 E107 C108 L118 L123	L32-L105 HydrophobicContact CD1-CB 4.38Å; L32-L105 HydrophobicContact CD1-CD1 3.62Å; L32-L105 HydrophobicContact CD1-CG 3.54Å; L32-L105 HydrophobicContact CD2-CD1 3.96Å; L32-L105 HydrophobicContact CG-CD1 4.4Å; L74-L105 HydrophobicContact CD2-CD2 4.23Å; A77-L105 HydrophobicContact CB-CD2 4.13Å; F81-L105 HydrophobicContact CB-CD1 3.98Å; F81-L105 HydrophobicContact CD1-CD1 4.35Å; F81-L105 HydrophobicContact CD2-CD1 4.03Å; F81-L105 HydrophobicContact CG-CD1 3.88Å; L93-L105 HydrophobicContact CD1-CD2 4.36Å; L93-L105 HydrophobicContact CD2-CD2 4.17Å; L105-E107 VanDerWaalsContact C-N 3.27Å; L105-E107 PolarHBondContact O-N 3.38Å; L105-C108 PolarHBondContact O-SG 3.45Å; L105-C108 VanDerWaalsContact O-SG 3.37Å; L105-L118 WeakPolarHBondContact O-CB 3.2Å; L105-L118 WeakPolarHBondContact O-CD1 3.3Å; L105-L123 HydrophobicContact CB-CD1 3.65Å; L105-L123 HydrophobicContact CB-CD2 3.61Å; L105-L123 HydrophobicContact CB-CG 4.29Å; L105-L123 HydrophobicContact CD1-CD2 4.1Å; L105-L123 HydrophobicContact CG-CD2 4.32Å
106	T	81.3	Confident	82.6	Confident	35 Å²	35	47.4 Å²	47.4	22%	0.215	26%	0.257	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.7	-30	177.4	50.6	0	0	0	0	112.7	A104 Q117 L118 V120 L123	A104-T106 WeakPolarHBondContact CB-OG1 3.32Å; A104-T106 PolarHBondContact O-N 3.24Å; A104-T106 VanDerWaalsContact O-N 3.08Å; T106-Q117 WeakPolarHBondContact O-CA 3.48Å; T106-L118 PolarHBondContact O-N 2.64Å; T106-V120 HydrophobicContact CG2-CG1 3.94Å; T106-L123 HydrophobicContact CG2-CD1 3.74Å
107	E	83.2	Confident	82.4	Confident	61 Å²	61	50.9 Å²	50.9	29%	0.285	27%	0.27	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.6	107.3	-177.7	-63.1	-170.1	100.8	0	0	110.1	A104 L105 Q117	A104-E107 PolarHBondContact O-N 2.86Å; L105-E107 VanDerWaalsContact C-N 3.27Å; L105-E107 PolarHBondContact O-N 3.38Å; E107-Q117 HydrophobicContact CG-CG 4.47Å; E107-Q117 PolarHBondContact OE1-NE2 2.92Å; E107-Q117 VanDerWaalsContact OE1-NE2 3.13Å
108	C	84.7	Confident	82.1	Confident	0 Å²	0	48.6 Å²	48.6	0%	0	25%	0.254	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.2	146.3	-174	-58.4	0	0	0	0	110.3	L74 I98 L100 L105 Y116	L74-C108 HydrophobicContact CD2-CB 3.87Å; L74-C108 WeakPolarHBondContact CD2-SG 3.19Å; I98-C108 HydrophobicContact CG2-CB 3.63Å; L100-C108 HydrophobicContact CD2-CB 4.04Å; L100-C108 WeakPolarHBondContact CD2-SG 3.07Å; L105-C108 PolarHBondContact O-SG 3.45Å; L105-C108 VanDerWaalsContact O-SG 3.37Å; C108-Y116 PolarHBondContact N-O 2.85Å; C108-Y116 PolarHBondContact O-N 3.3Å
109	Y	85.6	Confident	81.8	Confident	75 Å²	75	49.7 Å²	49.7	29%	0.294	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.6	133.2	178.9	-67.4	-102.1	0	0	0	110.1	I98 T99 P101 N114 R115	I98-Y109 CarbonylContact C-O 3.55Å; I98-Y109 WeakPolarHBondContact CA-O 3.34Å; T99-Y109 PolarHBondContact N-O 2.73Å; T99-Y109 PolarHBondContact O-N 3.49Å; T99-Y109 WeakPolarHBondContact OG1-CB 3.48Å; T99-Y109 PolarHBondContact OG1-O 2.77Å; P101-Y109 HydrophobicContact CG-CD2 3.74Å; P101-Y109 HydrophobicContact CG-CE2 3.45Å; P101-Y109 VanDerWaalsContact CG-CE2 3.45Å; Y109-N114 WeakPolarHBondContact CA-O 3.38Å; Y109-R115 HydrophobicContact CD1-CB 4.1Å; Y109-R115 HydrophobicContact CD1-CG 4.3Å; Y109-R115 HydrophobicContact CE1-CB 3.87Å; Y109-R115 HydrophobicContact CE1-CG 3.77Å; Y109-R115 HydrophobicContact CE2-CG 4.38Å
110	D	88.3	Confident	81.5	Confident	7 Å²	7	49.2 Å²	49.2	4%	0.037	26%	0.259	C	S	.	.			trans	-83.9	167.5	174.6	171.6	-116.8	0	0	0	111.8	I70 L112 G113 N114 Y116	I70-D110 VanDerWaalsContact CD1-OD2 3.3Å; I70-D110 WeakPolarHBondContact CD1-OD2 3.37Å; D110-L112 PolarHBondContact O-N 3.39Å; D110-L112 WeakPolarHBondContact OD1-CB 3.42Å; D110-L112 WeakPolarHBondContact OD1-CD1 3.38Å; D110-L112 PolarHBondContact OD1-N 3.41Å; D110-G113 WeakPolarHBondContact O-CA 3.43Å; D110-G113 PolarHBondContact O-N 2.95Å; D110-N114 HydrophobicContact CB-CB 4.22Å; D110-N114 PolarHBondContact N-O 3.26Å; D110-N114 PolarHBondContact OD1-ND2 3.01Å; D110-Y116 HydrophobicContact CB-CD2 4.36Å; D110-Y116 HydrophobicContact CB-CE2 3.63Å
111	E	84.4	Confident	81	Confident	137 Å²	137	51.4 Å²	51.4	64%	0.64	27%	0.267	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.6	179	68.1	178.1	92.2	0	0	113.3	S97 G113	S97-E111 PolarHBondContact OG-OE1 3.41Å; E111-G113 PolarHBondContact O-N 2.78Å
112	L	81.9	Confident	80.8	Confident	97 Å²	97	49.1 Å²	49.1	51%	0.508	25%	0.252	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.6	0.9	174.9	-70	94.4	0	0	0	112.9	R67 D110 N114	R67-L112 VanDerWaalsContact NH2-CD1 3.28Å; D110-L112 PolarHBondContact O-N 3.39Å; D110-L112 WeakPolarHBondContact OD1-CB 3.42Å; D110-L112 WeakPolarHBondContact OD1-CD1 3.38Å; D110-L112 PolarHBondContact OD1-N 3.41Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 WeakPolarHBondContact CB-ND2 3.46Å
113	G	80.1	Confident	80.9	Confident	52 Å²	52	44.4 Å²	44.4	54%	0.536	23%	0.23	S	C	.	.			trans	78.7	9.7	-176.2	0	0	0	0	0	114	D110 E111 R115	D110-G113 WeakPolarHBondContact O-CA 3.43Å; D110-G113 PolarHBondContact O-N 2.95Å; E111-G113 PolarHBondContact O-N 2.78Å; G113-R115 PolarHBondContact O-N 3.13Å
114	N	84.5	Confident	80.6	Confident	65 Å²	65	44.8 Å²	44.8	35%	0.348	23%	0.233	S	C	.	.			trans	-67.2	132.8	173.2	-62.4	-55	0	0	0	109.6	Y109 D110 L112 Y116	Y109-N114 WeakPolarHBondContact CA-O 3.38Å; D110-N114 HydrophobicContact CB-CB 4.22Å; D110-N114 PolarHBondContact N-O 3.26Å; D110-N114 PolarHBondContact OD1-ND2 3.01Å; L112-N114 VanDerWaalsContact C-N 3.28Å; L112-N114 WeakPolarHBondContact CB-ND2 3.46Å; N114-Y116 HydrophobicContact CB-CE2 3.7Å; N114-Y116 WeakPolarHBondContact O-CD2 3.23Å
115	R	84.9	Confident	80	Confident	130 Å²	130	46 Å²	46	49%	0.491	24%	0.238	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	125.5	-176.9	-177	-177.3	64.3	110.2	17.2	110.5	Y109 G113 Q117	Y109-R115 HydrophobicContact CD1-CB 4.1Å; Y109-R115 HydrophobicContact CD1-CG 4.3Å; Y109-R115 HydrophobicContact CE1-CB 3.87Å; Y109-R115 HydrophobicContact CE1-CG 3.77Å; Y109-R115 HydrophobicContact CE2-CG 4.38Å; G113-R115 PolarHBondContact O-N 3.13Å; R115-Q117 HydrophobicContact CG-CG 4.43Å
116	Y	83.3	Confident	79.6	Confident	4 Å²	4	46 Å²	46	2%	0.016	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	120.2	179	-63.6	-98.9	0	0	0	109	G66 R67 I70 W71 L74 C108 D110 N114	G66-Y116 VanDerWaalsContact CA-OH 3.3Å; G66-Y116 WeakPolarHBondContact CA-OH 3.38Å; R67-Y116 PolarHBondContact N-OH 2.78Å; I70-Y116 HydrophobicContact CB-CE1 3.95Å; I70-Y116 HydrophobicContact CB-CE2 4.27Å; I70-Y116 HydrophobicContact CG2-CD1 4.05Å; I70-Y116 HydrophobicContact CG2-CD2 3.92Å; I70-Y116 HydrophobicContact CG2-CE1 3.72Å; I70-Y116 HydrophobicContact CG2-CE2 3.62Å; I70-Y116 HydrophobicContact CG2-CG 4.14Å; I70-Y116 VanDerWaalsContact CG2-CZ 3.48Å; W71-Y116 AromaticContact CD1-CE1 3.77Å; W71-Y116 HydrophobicContact CD2-CD1 4.01Å; W71-Y116 HydrophobicContact CD2-CE1 4.33Å; W71-Y116 AromaticContact CE2-CD1 3.56Å; W71-Y116 AromaticContact CE2-CE1 3.89Å; W71-Y116 HydrophobicContact CG-CD1 4.42Å; W71-Y116 HydrophobicContact CG-CE1 4.29Å; W71-Y116 HydrophobicContact CH2-CD1 4.41Å; W71-Y116 AromaticContact CZ2-CD1 3.8Å; W71-Y116 HydrophobicContact CZ2-CD1 3.8Å; W71-Y116 HydrophobicContact CZ2-CE1 4.48Å; W71-Y116 AromaticContact NE1-CD1 3.68Å; W71-Y116 AromaticContact NE1-CE1 3.5Å; L74-Y116 HydrophobicContact CD1-CD1 3.91Å; L74-Y116 HydrophobicContact CD1-CG 3.93Å; C108-Y116 PolarHBondContact N-O 2.85Å; C108-Y116 PolarHBondContact O-N 3.3Å; D110-Y116 HydrophobicContact CB-CD2 4.36Å; D110-Y116 HydrophobicContact CB-CE2 3.63Å; N114-Y116 HydrophobicContact CB-CE2 3.7Å; N114-Y116 WeakPolarHBondContact O-CD2 3.23Å
117	Q	82.4	Confident	78.9	Confident	90 Å²	90	49.7 Å²	49.7	42%	0.421	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	119.5	177.2	-67.9	-168.5	-69.4	0	0	110	T106 E107 R115	T106-Q117 WeakPolarHBondContact O-CA 3.48Å; E107-Q117 HydrophobicContact CG-CG 4.47Å; E107-Q117 PolarHBondContact OE1-NE2 2.92Å; E107-Q117 VanDerWaalsContact OE1-NE2 3.13Å; R115-Q117 HydrophobicContact CG-CG 4.43Å
118	L	81.8	Confident	77.9	Confident	7 Å²	7	50.5 Å²	50.5	4%	0.037	27%	0.267	C	S	.	.			trans	-100.4	124.4	175.8	-74.9	72.2	0	0	0	109.3	W58 W71 L74 L105 T106 L123	W58-L118 HydrophobicContact CH2-CD2 3.86Å; W58-L118 HydrophobicContact CZ2-CD2 4.22Å; W71-L118 HydrophobicContact CZ3-CD1 4.31Å; W71-L118 HydrophobicContact CZ3-CG 4.41Å; L74-L118 HydrophobicContact CB-CD2 4.31Å; L74-L118 HydrophobicContact CD1-CD1 3.94Å; L74-L118 HydrophobicContact CD2-CD1 4.04Å; L74-L118 HydrophobicContact CD2-CD2 4.46Å; L74-L118 HydrophobicContact CG-CD1 4.4Å; L105-L118 WeakPolarHBondContact O-CB 3.2Å; L105-L118 WeakPolarHBondContact O-CD1 3.3Å; T106-L118 PolarHBondContact O-N 2.64Å; L118-L123 HydrophobicContact CB-CD1 4.4Å; L118-L123 HydrophobicContact CD2-CD2 3.98Å
119	P	78.6	Confident	76.7	Confident	35 Å²	35	53.3 Å²	53.3	23%	0.227	28%	0.281	C	S	.	.			trans	-60.8	142.6	170.4	-23.1	34.2	0	0	0	111.6	F57 Y121 C122	F57-P119 HydrophobicContact CD2-CG 4.24Å; F57-P119 HydrophobicContact CE1-CG 4.31Å; F57-P119 HydrophobicContact CE2-CG 3.75Å; F57-P119 HydrophobicContact CZ-CG 3.79Å; P119-Y121 HydrophobicContact CB-CD1 3.31Å; P119-Y121 HydrophobicContact CB-CD2 4.31Å; P119-Y121 HydrophobicContact CB-CE1 3.04Å; P119-Y121 HydrophobicContact CB-CE2 4.08Å; P119-Y121 HydrophobicContact CB-CG 3.94Å; P119-Y121 VanDerWaalsContact CB-CZ 3.45Å; P119-Y121 HydrophobicContact CG-CD1 4.34Å; P119-Y121 HydrophobicContact CG-CE1 3.6Å; P119-Y121 HydrophobicContact CG-CE2 4.36Å; P119-Y121 PolarHBondContact O-N 2.87Å; P119-C122 WeakPolarHBondContact O-CB 3.29Å; P119-C122 PolarHBondContact O-N 3.41Å
120	V	78.2	Confident	75.6	Confident	50 Å²	50	53.5 Å²	53.5	30%	0.303	29%	0.286	S	S	.	.	H	α-helix	trans	-55.9	-26	178.7	-68.8	0	0	0	0	113.6	P37 W39 T106 C122 L123 S124	P37-V120 HydrophobicContact CB-CG1 4.12Å; P37-V120 HydrophobicContact CG-CG1 4.36Å; W39-V120 HydrophobicContact CB-CB 4.11Å; W39-V120 HydrophobicContact CB-CG2 3.67Å; W39-V120 HydrophobicContact CD2-CB 4.33Å; W39-V120 HydrophobicContact CD2-CG2 3.57Å; W39-V120 HydrophobicContact CE3-CG2 3.95Å; W39-V120 HydrophobicContact CG-CB 3.8Å; W39-V120 HydrophobicContact CG-CG2 3.41Å; W39-V120 VanDerWaalsContact CG-CG2 3.41Å; W39-V120 PolarHBondContact NE1-O 3.4Å; T106-V120 HydrophobicContact CG2-CG1 3.94Å; V120-C122 VanDerWaalsContact C-N 3.27Å; V120-C122 PolarHBondContact O-N 3.3Å; V120-L123 PolarHBondContact O-N 2.93Å; V120-S124 PolarHBondContact O-N 3.11Å; V120-S124 VanDerWaalsContact O-N 3.08Å; V120-S124 PolarHBondContact O-OG 3.29Å; V120-S124 VanDerWaalsContact O-OG 3.1Å
121	Y	73.3	Confident	74	Confident	51 Å²	51	61.7 Å²	61.7	20%	0.2	32%	0.324	C	S	.	.	H	α-helix	trans	-70.9	-18.3	176.9	68.7	-110	0	0	0	114.4	F57 P119	F57-Y121 HydrophobicContact CB-CE2 4.13Å; F57-Y121 WeakPolarHBondContact CD2-OH 3.34Å; F57-Y121 HydrophobicContact CG-CE2 4.32Å; P119-Y121 HydrophobicContact CB-CD1 3.31Å; P119-Y121 HydrophobicContact CB-CD2 4.31Å; P119-Y121 HydrophobicContact CB-CE1 3.04Å; P119-Y121 HydrophobicContact CB-CE2 4.08Å; P119-Y121 HydrophobicContact CB-CG 3.94Å; P119-Y121 VanDerWaalsContact CB-CZ 3.45Å; P119-Y121 HydrophobicContact CG-CD1 4.34Å; P119-Y121 HydrophobicContact CG-CE1 3.6Å; P119-Y121 HydrophobicContact CG-CE2 4.36Å; P119-Y121 PolarHBondContact O-N 2.87Å
122	C	72.6	Confident	72.1	Confident	1 Å²	1	61.3 Å²	61.3	1%	0.007	32%	0.322	C	S	.	.	H	α-helix	trans	-82.6	-22.9	172.1	-75.2	0	0	0	0	112.5	F57 W58 P119 V120	F57-C122 VanDerWaalsContact CD1-SG 3.52Å; W58-C122 HydrophobicContact CZ2-CB 4.25Å; P119-C122 WeakPolarHBondContact O-CB 3.29Å; P119-C122 PolarHBondContact O-N 3.41Å; V120-C122 VanDerWaalsContact C-N 3.27Å; V120-C122 PolarHBondContact O-N 3.3Å
123	L	74.7	Confident	70.3	Confident	2 Å²	2	63.8 Å²	63.8	1%	0.01	33%	0.325	C	S	.	.	H	α-helix	trans	-100.6	-21	-172.8	-61.7	175.3	0	0	0	113.5	P37 A78 L105 T106 L118 V120	P37-L123 HydrophobicContact CG-CB 4.17Å; P37-L123 HydrophobicContact CG-CD1 4.44Å; A78-L123 HydrophobicContact CB-CD2 3.9Å; L105-L123 HydrophobicContact CB-CD1 3.65Å; L105-L123 HydrophobicContact CB-CD2 3.61Å; L105-L123 HydrophobicContact CB-CG 4.29Å; L105-L123 HydrophobicContact CD1-CD2 4.1Å; L105-L123 HydrophobicContact CG-CD2 4.32Å; T106-L123 HydrophobicContact CG2-CD1 3.74Å; L118-L123 HydrophobicContact CB-CD1 4.4Å; L118-L123 HydrophobicContact CD2-CD2 3.98Å; V120-L123 PolarHBondContact O-N 2.93Å
124	S	69.3	Low	68.2	Low	7 Å²	7	65.8 Å²	65.8	5%	0.049	33%	0.331	C	S	.	.	S	Bend	trans	-158.9	148.9	-177	55.3	0	0	0	0	111.3	P37 W39 V120	P37-S124 PolarHBondContact O-OG 2.86Å; W39-S124 PolarHBondContact NE1-O 2.98Å; W39-S124 PolarHBondContact NE1-OG 3.49Å; V120-S124 PolarHBondContact O-N 3.11Å; V120-S124 VanDerWaalsContact O-N 3.08Å; V120-S124 PolarHBondContact O-OG 3.29Å; V120-S124 VanDerWaalsContact O-OG 3.1Å
125	P	67	Low	66	Low	53 Å²	53	69.3 Å²	69.3	34%	0.344	35%	0.35	S	S	.	.			trans	-67.9	146.5	169.6	27.4	-32.4	0	0	0	110.9	L50 M129	L50-P125 HydrophobicContact CD2-CB 4.26Å; P125-M129 HydrophobicContact CB-CE 4.21Å; P125-M129 HydrophobicContact CB-SD 3.54Å; P125-M129 VanDerWaalsContact CB-SD 3.54Å
126	P	71.9	Confident	64.3	Low	7 Å²	7	70.9 Å²	70.9	5%	0.045	36%	0.362	C	S	.	.			trans	-67.8	149.6	175.2	27.3	-28.6	0	0	0	110.3	W39 L50 N128 M129	W39-P126 HydrophobicContact CD2-CB 4.1Å; W39-P126 HydrophobicContact CE3-CB 4.24Å; W39-P126 HydrophobicContact CH2-CB 3.69Å; W39-P126 HydrophobicContact CH2-CG 3.9Å; W39-P126 HydrophobicContact CZ2-CB 3.52Å; W39-P126 VanDerWaalsContact CZ2-CD 3.49Å; W39-P126 HydrophobicContact CZ2-CG 3.73Å; W39-P126 HydrophobicContact CZ3-CB 4.07Å; W39-P126 CarbonylContact O-C 3.58Å; W39-P126 VanDerWaalsContact O-CA 3.23Å; W39-P126 WeakPolarHBondContact O-CA 3.42Å; L50-P126 VanDerWaalsContact CD2-CD 3.45Å; L50-P126 HydrophobicContact CD2-CG 4.47Å; P126-N128 PolarHBondContact O-N 3.42Å; P126-N128 VanDerWaalsContact O-N 3.07Å; P126-M129 PolarHBondContact O-N 3.44Å
127	V	65.9	Low	62.4	Low	112 Å²	112	76.6 Å²	76.6	68%	0.679	40%	0.4	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.8	-16.4	174.4	-119.9	0	0	0	0	113.3	W39 K40	W39-V127 WeakPolarHBondContact O-CG2 3.27Å; W39-V127 PolarHBondContact O-N 3.15Å; K40-V127 HydrophobicContact CB-CG2 4.34Å
128	N	62.2	Low	60.3	Low	78 Å²	78	77.8 Å²	77.8	42%	0.417	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-107.6	50.3	178.3	-67.7	-64.3	0	0	0	111.6	K40 P126	K40-N128 WeakPolarHBondContact CB-ND2 3.31Å; P126-N128 PolarHBondContact O-N 3.42Å; P126-N128 VanDerWaalsContact O-N 3.07Å
129	M	59.9	Low	58.9	Low	60 Å²	60	80.7 Å²	80.7	30%	0.296	44%	0.441	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	127.1	176.2	-159.5	164.2	-172.6	0	0	109.8	E47 L50 P125 P126 E131	E47-M129 HydrophobicContact CB-CE 3.34Å; E47-M129 HydrophobicContact CG-CE 3.28Å; E47-M129 WeakPolarHBondContact OE2-CE 3.26Å; L50-M129 HydrophobicContact CD2-CE 4.15Å; P125-M129 HydrophobicContact CB-CE 4.21Å; P125-M129 HydrophobicContact CB-SD 3.54Å; P125-M129 VanDerWaalsContact CB-SD 3.54Å; P126-M129 PolarHBondContact O-N 3.44Å; M129-E131 PolarHBondContact O-N 3.15Å
130	I	62.3	Low	57.1	Low	78 Å²	78	83.5 Å²	83.5	40%	0.4	46%	0.462	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.7	109.5	169.7	-59.7	168	0	0	0	106.2	P44 M45 T46 E132	P44-I130 HydrophobicContact CB-CD1 3.74Å; P44-I130 HydrophobicContact CB-CG1 4.06Å; P44-I130 HydrophobicContact CG-CD1 4.29Å; M45-I130 PolarHBondContact O-N 2.88Å; M45-I130 VanDerWaalsContact O-N 3.11Å; T46-I130 VanDerWaalsContact CA-O 3.3Å; T46-I130 WeakPolarHBondContact CA-O 3.32Å; T46-I130 HydrophobicContact CG2-CB 3.99Å; T46-I130 HydrophobicContact CG2-CG2 4.07Å; I130-E132 PolarHBondContact O-N 3.26Å
131	E	55	Low	55.9	Low	180 Å²	180	88.8 Å²	88.8	84%	0.841	49%	0.488	S	S	*	.			trans	-63.5	105.5	163.3	-89.3	174.9	90.9	0	0	107.4	M129 R133	M129-E131 PolarHBondContact O-N 3.15Å; E131-R133 PolarHBondContact O-N 2.91Å; E131-R133 VanDerWaalsContact O-N 3.12Å
132	E	44.6	Very low	54.7	Low	128 Å²	128	91.2 Å²	91.2	60%	0.598	51%	0.51	S	S	*	.			trans	-69.8	104.9	164.5	-151.6	-179.6	122.6	0	0	105	T46 I130 S134	T46-E132 HydrophobicContact CG2-CB 4.02Å; T46-E132 HydrophobicContact CG2-CG 4.3Å; T46-E132 WeakPolarHBondContact CG2-OE2 3.03Å; T46-E132 PolarHBondContact OG1-OE2 3.11Å; I130-E132 PolarHBondContact O-N 3.26Å; E132-S134 VanDerWaalsContact C-N 3.31Å; E132-S134 PolarHBondContact O-N 3.08Å
133	R	43.2	Very low	53.4	Low	150 Å²	150	98.9 Å²	98.9	57%	0.566	55%	0.551	S	S	*	*			trans	-57.1	110.2	156.5	-76.4	-171	-175.6	-166.7	1.7	104.5	E131 D135 P159	E131-R133 PolarHBondContact O-N 2.91Å; E131-R133 VanDerWaalsContact O-N 3.12Å; R133-D135 PolarHBondContact O-N 2.98Å; R133-P159 VanDerWaalsContact NH1-CB 3.31Å
134	S	36.3	Very low	51.9	Low	93 Å²	93	103.7 Å²	103.7	65%	0.65	59%	0.585	S	S	*	*			trans	-60	85.9	158.4	-58.4	0	0	0	0	106.1	E132 E136	E132-S134 VanDerWaalsContact C-N 3.31Å; E132-S134 PolarHBondContact O-N 3.08Å; S134-E136 PolarHBondContact O-N 3.2Å
135	D	39.7	Very low	51	Low	139 Å²	139	111 Å²	111	74%	0.743	62%	0.622	S	S	*	*			trans	-64.9	76.2	145.6	-93.1	-95	0	0	0	104.4	R133 P137	R133-D135 PolarHBondContact O-N 2.98Å; D135-P137 WeakPolarHBondContact O-CD 3.22Å
136	E	47.6	Very low	49.9	Very low	163 Å²	163	115.5 Å²	115.5	76%	0.762	65%	0.65	S	S	*	*			trans	-62.4	114.3	152.9	-57.8	-162.3	98.3	0	0	104.2	S134 D138	S134-E136 PolarHBondContact O-N 3.2Å; E136-D138 PolarHBondContact O-N 2.92Å
137	P	43.3	Very low	48.7	Very low	125 Å²	125	119.1 Å²	119.1	81%	0.812	68%	0.68	S	S	*	*			trans	-63.2	94.5	147.4	28.6	-29	0	0	0	104.5	D135 G139	D135-P137 WeakPolarHBondContact O-CD 3.22Å; P137-G139 PolarHBondContact O-N 3.41Å
138	D	39.5	Very low	47.6	Very low	115 Å²	115	121 Å²	121	62%	0.615	69%	0.686	S	S	*	*			trans	-12.1	114.7	154.6	-177.9	-101	0	0	0	110.3	E136 S140	E136-D138 PolarHBondContact O-N 2.92Å; D138-S140 PolarHBondContact O-N 2.74Å; D138-S140 PolarHBondContact O-OG 2.84Å
139	G	51.8	Low	47.5	Very low	68 Å²	68	122.7 Å²	122.7	70%	0.701	70%	0.702	S	S	*	*			trans	-55.5	90.6	169.4	0	0	0	0	0	108.6	P137 D141	P137-G139 PolarHBondContact O-N 3.41Å; G139-D141 PolarHBondContact O-N 3.04Å
140	S	41.3	Very low	46.9	Very low	94 Å²	94	125.1 Å²	125.1	66%	0.657	72%	0.724	S	S	*	*			trans	-76.4	72.1	175.4	-61.1	0	0	0	0	109.1	D138	D138-S140 PolarHBondContact O-N 2.74Å; D138-S140 PolarHBondContact O-OG 2.84Å
141	D	53.7	Low	46.1	Very low	160 Å²	160	128 Å²	128	86%	0.856	75%	0.745	S	S	*	*			trans	-128	83.3	148.1	-64.4	-72.5	0	0	0	108.1	G139	G139-D141 PolarHBondContact O-N 3.04Å
142	P	47.5	Very low	45.9	Very low	103 Å²	103	123.2 Å²	123.2	67%	0.669	75%	0.745	S	S	*	*			trans	-124.8	97.2	143	33.6	-24.8	0	0	0	110.2	S144	P142-S144 PolarHBondContact O-N 3.38Å
143	D	46	Very low	45.7	Very low	161 Å²	161	122.5 Å²	122.5	86%	0.861	75%	0.754	S	S	*	*			trans	-60.7	88.4	149	-177.7	-105.9	0	0	0	108
144	S	42.8	Very low	46.1	Very low	103 Å²	103	119.6 Å²	119.6	72%	0.72	76%	0.762	S	S	*	*			trans	-167.5	106.1	153.4	-88.8	0	0	0	0	110.8	P142	P142-S144 PolarHBondContact O-N 3.38Å
145	L	50.2	Low	46.3	Very low	160 Å²	160	120.3 Å²	120.3	84%	0.838	77%	0.767	S	S	*	*			trans	-34	133.5	160.9	-62.6	128.5	0	0	0	113.2
146	T	42.8	Very low	46.6	Very low	149 Å²	149	120.8 Å²	120.8	91%	0.914	77%	0.77	S	S	*	*				-177.9	150.9	120.2	28.9	0	0	0	0	111.3
147	A	47.8	Very low	46.4	Very low	83 Å²	83	117.6 Å²	117.6	69%	0.686	76%	0.763	S	S	*	*			trans	-72.9	150.5	-168.3	0	0	0	0	0	114.3
148	D	42	Very low	46.7	Very low	150 Å²	150	117.8 Å²	117.8	80%	0.802	76%	0.756	S	S	*	*				177.6	127.4	109.7	-108.4	-113.1	0	0	0	112.1
149	P	60.7	Low	47.1	Very low	115 Å²	115	116.3 Å²	116.3	75%	0.747	75%	0.752	S	S	*	*			trans	-102	96.8	175.6	35.2	-26	0	0	0	110.8
150	S	48.1	Very low	47	Very low	111 Å²	111	114.1 Å²	114.1	78%	0.776	73%	0.73	S	S	*	*			trans	-168.2	100.1	161.3	-83	0	0	0	0	111.1
151	T	45.5	Very low	47.9	Very low	137 Å²	137	112.5 Å²	112.5	84%	0.84	73%	0.729	S	S	*	*			trans	-172.3	98.4	137.1	-71.8	0	0	0	0	107.3
152	G	48.8	Very low	48.4	Very low	81 Å²	81	110.7 Å²	110.7	84%	0.835	72%	0.715	S	S	*	*			trans	-72.7	126.4	157	0	0	0	0	0	108.4
153	S	41.1	Very low	49.5	Very low	112 Å²	112	106.2 Å²	106.2	78%	0.783	69%	0.686	S	S	*	*			trans	-150.7	125.4	151.8	-162.1	0	0	0	0	109.1
154	A	51.1	Low	51.2	Low	89 Å²	89	103.3 Å²	103.3	74%	0.736	67%	0.667	S	S	*	*			trans	-54.3	138.7	179.5	0	0	0	0	0	111.8
155	S	41	Very low	53.2	Low	108 Å²	108	98.5 Å²	98.5	76%	0.755	63%	0.633	S	S	*	*			trans	156.8	84.6	133.2	-80.5	0	0	0	0	107.8	P157	S155-P157 WeakPolarHBondContact O-CD 3.24Å
156	D	45.7	Very low	54.9	Low	149 Å²	149	94.9 Å²	94.9	80%	0.797	61%	0.609	S	S	*	*			trans	-58.8	119.6	154.2	-63.8	-107	0	0	0	109.7	I158	D156-I158 HydrophobicContact CB-CG1 4.34Å
157	P	44.8	Very low	56.9	Low	96 Å²	96	87.8 Å²	87.8	62%	0.623	57%	0.565	S	S	*	*			trans	-89.8	95.1	144.3	32.4	-29.6	0	0	0	107	S155 P159	S155-P157 WeakPolarHBondContact O-CD 3.24Å; P157-P159 WeakPolarHBondContact O-CD 3.41Å; P157-P159 VanDerWaalsContact O-N 3.1Å
158	I	49.8	Very low	58.8	Low	130 Å²	130	87.8 Å²	87.8	67%	0.667	55%	0.547	S	S	*	.			trans	-50.9	114.7	165.9	-60.2	167.3	0	0	0	107.7	D156 G160	D156-I158 HydrophobicContact CB-CG1 4.34Å; I158-G160 PolarHBondContact O-N 2.85Å
159	P	46.9	Very low	60.9	Low	83 Å²	83	80.9 Å²	80.9	54%	0.539	51%	0.51	S	S	.	.			trans	-79.6	72.1	176.1	31.7	-34	0	0	0	111.8	R133 P157	R133-P159 VanDerWaalsContact NH1-CB 3.31Å; P157-P159 WeakPolarHBondContact O-CD 3.41Å; P157-P159 VanDerWaalsContact O-N 3.1Å
160	G	50.2	Low	61.8	Low	22 Å²	22	78.4 Å²	78.4	23%	0.227	50%	0.496	C	S	.	.			trans	-118.6	91.7	164.8	0	0	0	0	0	107.6	I158 E162	I158-G160 PolarHBondContact O-N 2.85Å; G160-E162 VanDerWaalsContact C-N 3.34Å; G160-E162 PolarHBondContact O-N 3.49Å
161	G	58.8	Low	63.1	Low	61 Å²	61	76.6 Å²	76.6	63%	0.629	48%	0.48	S	S	*	.			trans	-57.7	94.3	176.5	0	0	0	0	0	111	C163	G161-C163 PolarHBondContact O-N 2.85Å
162	E	65	Low	64.5	Low	122 Å²	122	72.4 Å²	72.4	57%	0.57	46%	0.464	S	S	*	.			trans	-67.9	114.4	172.7	-72.5	176.4	81.3	0	0	108.3	G160 R180	G160-E162 VanDerWaalsContact C-N 3.34Å; G160-E162 PolarHBondContact O-N 3.49Å; E162-R180 HydrophobicContact CG-CG 4.42Å
163	C	71.6	Confident	66	Low	8 Å²	8	77.1 Å²	77.1	5%	0.054	46%	0.457	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	135.8	175	-62.5	0	0	0	0	108.7	G161 A178 V179 R225	G161-C163 PolarHBondContact O-N 2.85Å; C163-A178 CarbonylContact O-C 3.57Å; C163-A178 WeakPolarHBondContact O-CA 3.47Å; C163-V179 CarbonylContact C-O 3.58Å; C163-V179 WeakPolarHBondContact CA-O 3.42Å; C163-V179 VanDerWaalsContact CB-O 3.29Å; C163-V179 WeakPolarHBondContact CB-O 3.25Å; C163-V179 PolarHBondContact N-O 3.26Å; C163-V179 PolarHBondContact O-N 3.5Å; C163-R225 HydrophobicContact CB-CB 4.49Å; C163-R225 HydrophobicContact CB-CG 3.78Å; C163-R225 WeakPolarHBondContact SG-CD 3.34Å; C163-R225 PolarHBondContact SG-NE 3.1Å
164	Q	81.3	Confident	68	Low	101 Å²	101	75.3 Å²	75.3	47%	0.472	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.8	138.3	168.2	-78.8	177.1	20.8	0	0	109.7	R176 L177 R225	Q164-R176 VanDerWaalsContact OE1-CZ 3.25Å; Q164-L177 CarbonylContact C-O 3.58Å; Q164-L177 WeakPolarHBondContact CA-O 3.49Å; Q164-R225 CarbonylContact O-C 3.52Å; Q164-R225 VanDerWaalsContact O-CA 3.31Å; Q164-R225 WeakPolarHBondContact O-CA 3.47Å
165	L	83.9	Confident	69.6	Low	2 Å²	2	72.5 Å²	72.5	1%	0.01	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	136.3	172.8	178.4	68.4	0	0	0	109.6	L167 R176 L177 V179 M188 W205 I223 Y227 V229	L165-L167 HydrophobicContact CD2-CD2 4.22Å; L165-R176 CarbonylContact O-C 3.53Å; L165-R176 WeakPolarHBondContact O-CA 3.34Å; L165-L177 PolarHBondContact N-O 2.94Å; L165-L177 PolarHBondContact O-N 2.9Å; L165-V179 HydrophobicContact CB-CG2 3.83Å; L165-M188 HydrophobicContact CD2-CE 3.05Å; L165-M188 HydrophobicContact CG-CE 4.47Å; L165-W205 HydrophobicContact CD2-CZ3 4.47Å; L165-I223 HydrophobicContact CD1-CG2 3.39Å; L165-Y227 WeakPolarHBondContact CD1-O 3.26Å; L165-V229 HydrophobicContact CD1-CG2 4.15Å; L165-V229 HydrophobicContact CD2-CG2 4.05Å; L165-V229 HydrophobicContact CG-CG2 4.47Å
166	R	85.6	Confident	71.6	Confident	84 Å²	84	74.9 Å²	74.9	32%	0.317	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	129	173.2	-70.3	-174.9	67.2	-177.2	-0.5	111	D174 R176 Y227 V228 V229	R166-D174 IonicContact NH2-OD1 3.97Å; R166-D174 PolarHBondContact NH2-OD1 3.34Å; R166-D174 VanDerWaalsContact NH2-OD1 3.08Å; R166-R176 HydrophobicContact CG-CG 4.43Å; R166-Y227 PolarHBondContact N-O 2.85Å; R166-V228 HydrophobicContact CB-CG2 4.19Å; R166-V228 WeakPolarHBondContact O-CA 3.3Å; R166-V229 PolarHBondContact O-N 2.74Å
167	L	86.5	Confident	73.4	Confident	0 Å²	0	68 Å²	68	0%	0	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	124.6	176.2	-64.9	163.9	0	0	0	108.7	L165 D174 L175 L177 L192 W205 V229 V231	L165-L167 HydrophobicContact CD2-CD2 4.22Å; L167-D174 CarbonylContact O-C 3.38Å; L167-D174 WeakPolarHBondContact O-CA 3.42Å; L167-L175 HydrophobicContact CB-CB 4.36Å; L167-L175 HydrophobicContact CD1-CD2 4.02Å; L167-L175 PolarHBondContact N-O 3.03Å; L167-L175 PolarHBondContact O-N 3.34Å; L167-L177 HydrophobicContact CD1-CB 3.71Å; L167-L177 HydrophobicContact CD1-CD2 4.04Å; L167-L177 HydrophobicContact CD1-CG 4.41Å; L167-L192 HydrophobicContact CD1-CD1 4.04Å; L167-L192 HydrophobicContact CD1-CD2 4.4Å; L167-W205 HydrophobicContact CD1-CH2 3.81Å; L167-W205 HydrophobicContact CD1-CZ2 4.38Å; L167-W205 HydrophobicContact CD1-CZ3 4.5Å; L167-W205 HydrophobicContact CD2-CE3 3.95Å; L167-W205 HydrophobicContact CD2-CH2 3.41Å; L167-W205 VanDerWaalsContact CD2-CH2 3.41Å; L167-W205 HydrophobicContact CD2-CZ2 4.13Å; L167-W205 HydrophobicContact CD2-CZ3 3.3Å; L167-W205 HydrophobicContact CG-CH2 4.27Å; L167-V229 CarbonylContact C-O 3.59Å; L167-V229 WeakPolarHBondContact CA-O 3.41Å; L167-V229 HydrophobicContact CD2-CB 3.82Å; L167-V229 HydrophobicContact CD2-CG1 3.95Å; L167-V231 HydrophobicContact CB-CG2 4.3Å; L167-V231 HydrophobicContact CD2-CG2 3.68Å
168	R	86.8	Confident	75.1	Confident	82 Å²	82	65.4 Å²	65.4	31%	0.309	35%	0.353	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.4	107.1	171.8	174.7	68.5	70	-175.6	-6.8	108.5	G172 D174 V228 V229 Q230 V231	R168-G172 PolarHBondContact NH1-O 3.32Å; R168-G172 VanDerWaalsContact NH1-O 3.11Å; R168-D174 IonicContact CZ-OD1 2.66Å; R168-D174 IonicContact CZ-OD2 3.01Å; R168-D174 IonicContact NE-OD1 2.86Å; R168-D174 PolarHBondContact NE-OD1 3.43Å; R168-D174 IonicContact NE-OD2 3.03Å; R168-D174 VanDerWaalsContact NH1-CG 3.26Å; R168-D174 IonicContact NH1-OD1 2.87Å; R168-D174 IonicContact NH1-OD2 3.96Å; R168-D174 PolarHBondContact NH1-OD2 3.08Å; R168-D174 IonicContact NH2-OD1 2.97Å; R168-D174 PolarHBondContact NH2-OD1 2.95Å; R168-D174 IonicContact NH2-OD2 3.08Å; R168-D174 PolarHBondContact NH2-OD2 2.93Å; R168-V228 HydrophobicContact CB-CG1 3.54Å; R168-V229 PolarHBondContact N-O 3.1Å; R168-Q230 CarbonylContact O-C 3.54Å; R168-Q230 WeakPolarHBondContact O-CA 3.5Å; R168-V231 PolarHBondContact O-N 3.37Å
169	L	85.1	Confident	76.6	Confident	5 Å²	5	59.3 Å²	59.3	3%	0.026	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	147.7	174.9	-65.3	133.6	0	0	0	110.1	T171 G172 R173 L175 V231 L233	L169-T171 WeakPolarHBondContact CB-OG1 3.31Å; L169-T171 PolarHBondContact O-N 3.2Å; L169-T171 VanDerWaalsContact O-N 3.11Å; L169-G172 PolarHBondContact O-N 2.87Å; L169-R173 WeakPolarHBondContact CB-O 3.3Å; L169-R173 HydrophobicContact CD1-CB 4.02Å; L169-R173 PolarHBondContact N-O 3.33Å; L169-L175 HydrophobicContact CD1-CB 4.07Å; L169-V231 CarbonylContact C-O 3.51Å; L169-V231 WeakPolarHBondContact CA-O 3.32Å; L169-L233 HydrophobicContact CD2-CD1 3.69Å; L169-L233 HydrophobicContact CD2-CD2 4.3Å; L169-L233 HydrophobicContact CD2-CG 4.09Å
170	S	80.5	Confident	78	Confident	63 Å²	63	60 Å²	60	44%	0.441	31%	0.314	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-14	173.4	56.2	0	0	0	0	113.5	G172 V231 L233	S170-G172 PolarHBondContact O-N 3.48Å; S170-V231 PolarHBondContact N-O 3.38Å; S170-L233 PolarHBondContact OG-N 3.44Å
171	T	76.1	Confident	78.9	Confident	74 Å²	74	61.9 Å²	61.9	45%	0.454	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.4	1.1	171	57.9	0	0	0	0	113	L169 R173 L233	L169-T171 WeakPolarHBondContact CB-OG1 3.31Å; L169-T171 PolarHBondContact O-N 3.2Å; L169-T171 VanDerWaalsContact O-N 3.11Å; T171-R173 VanDerWaalsContact C-N 3.29Å; T171-R173 PolarHBondContact O-N 3.41Å; T171-L233 HydrophobicContact CG2-CD1 4.37Å
172	G	75	Confident	79.6	Confident	49 Å²	49	64.2 Å²	64.2	51%	0.505	33%	0.326	S	S	.	.	S	Bend	trans	86	-6.6	-179.2	0	0	0	0	0	114.2	R168 L169 S170	R168-G172 PolarHBondContact NH1-O 3.32Å; R168-G172 VanDerWaalsContact NH1-O 3.11Å; L169-G172 PolarHBondContact O-N 2.87Å; S170-G172 PolarHBondContact O-N 3.48Å
173	R	79	Confident	80.4	Confident	180 Å²	180	59.1 Å²	59.1	68%	0.679	30%	0.303	S	S	*	.			trans	-82.2	138.6	-178.9	-64	-176.6	177.9	-179.5	-1.2	112	L169 T171	L169-R173 WeakPolarHBondContact CB-O 3.3Å; L169-R173 HydrophobicContact CD1-CB 4.02Å; L169-R173 PolarHBondContact N-O 3.33Å; T171-R173 VanDerWaalsContact C-N 3.29Å; T171-R173 PolarHBondContact O-N 3.41Å
174	D	83.1	Confident	81	Confident	73 Å²	73	60.3 Å²	60.3	39%	0.39	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	134.6	167	-68.9	-87.4	0	0	0	109.8	R166 L167 R168	R166-D174 IonicContact NH2-OD1 3.97Å; R166-D174 PolarHBondContact NH2-OD1 3.34Å; R166-D174 VanDerWaalsContact NH2-OD1 3.08Å; L167-D174 CarbonylContact O-C 3.38Å; L167-D174 WeakPolarHBondContact O-CA 3.42Å; R168-D174 IonicContact CZ-OD1 2.66Å; R168-D174 IonicContact CZ-OD2 3.01Å; R168-D174 IonicContact NE-OD1 2.86Å; R168-D174 PolarHBondContact NE-OD1 3.43Å; R168-D174 IonicContact NE-OD2 3.03Å; R168-D174 VanDerWaalsContact NH1-CG 3.26Å; R168-D174 IonicContact NH1-OD1 2.87Å; R168-D174 IonicContact NH1-OD2 3.96Å; R168-D174 PolarHBondContact NH1-OD2 3.08Å; R168-D174 IonicContact NH2-OD1 2.97Å; R168-D174 PolarHBondContact NH2-OD1 2.95Å; R168-D174 IonicContact NH2-OD2 3.08Å; R168-D174 PolarHBondContact NH2-OD2 2.93Å
175	L	84.1	Confident	81.1	Confident	31 Å²	31	55.5 Å²	55.5	16%	0.162	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	144.9	173.6	-169	144	0	0	0	109.8	L167 L169 L177 L192 Q195	L167-L175 HydrophobicContact CB-CB 4.36Å; L167-L175 HydrophobicContact CD1-CD2 4.02Å; L167-L175 PolarHBondContact N-O 3.03Å; L167-L175 PolarHBondContact O-N 3.34Å; L169-L175 HydrophobicContact CD1-CB 4.07Å; L175-L177 HydrophobicContact CD2-CB 4.33Å; L175-L192 HydrophobicContact CD1-CD1 4.01Å; L175-L192 HydrophobicContact CD2-CD1 3.97Å; L175-Q195 HydrophobicContact CD1-CB 4.42Å
176	R	84.4	Confident	81.1	Confident	157 Å²	157	56.2 Å²	56.2	59%	0.592	30%	0.295	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-109.5	121.6	174.9	-57.9	-177.6	92.1	176.2	5.9	109.2	Q164 L165 R166	Q164-R176 VanDerWaalsContact OE1-CZ 3.25Å; L165-R176 CarbonylContact O-C 3.53Å; L165-R176 WeakPolarHBondContact O-CA 3.34Å; R166-R176 HydrophobicContact CG-CG 4.43Å
177	L	82.9	Confident	81	Confident	4 Å²	4	55.9 Å²	55.9	2%	0.021	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	126.5	-178.7	-168	69.8	0	0	0	110	Q164 L165 L167 L175 V179 M188 R191 Q195 W205	Q164-L177 CarbonylContact C-O 3.58Å; Q164-L177 WeakPolarHBondContact CA-O 3.49Å; L165-L177 PolarHBondContact N-O 2.94Å; L165-L177 PolarHBondContact O-N 2.9Å; L167-L177 HydrophobicContact CD1-CB 3.71Å; L167-L177 HydrophobicContact CD1-CD2 4.04Å; L167-L177 HydrophobicContact CD1-CG 4.41Å; L175-L177 HydrophobicContact CD2-CB 4.33Å; L177-V179 HydrophobicContact CB-CG1 4.25Å; L177-V179 HydrophobicContact CD2-CG1 3.55Å; L177-V179 HydrophobicContact CG-CG1 3.77Å; L177-V179 PolarHBondContact O-N 3.36Å; L177-M188 HydrophobicContact CD2-CB 4.07Å; L177-R191 HydrophobicContact CD1-CB 3.65Å; L177-R191 HydrophobicContact CD2-CB 3.95Å; L177-R191 HydrophobicContact CG-CB 4.21Å; L177-Q195 HydrophobicContact CD1-CG 4.26Å; L177-W205 HydrophobicContact CD2-CH2 4.26Å
178	A	80.9	Confident	80.8	Confident	42 Å²	42	55.9 Å²	55.9	35%	0.347	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	119.6	168.9	0	0	0	0	0	109.5	C163	C163-A178 CarbonylContact O-C 3.57Å; C163-A178 WeakPolarHBondContact O-CA 3.47Å
179	V	80.1	Confident	80.7	Confident	3 Å²	3	53.3 Å²	53.3	2%	0.018	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	150	-176.4	-61	0	0	0	0	109.5	C163 L165 L177 M188 L218	C163-V179 CarbonylContact C-O 3.58Å; C163-V179 WeakPolarHBondContact CA-O 3.42Å; C163-V179 VanDerWaalsContact CB-O 3.29Å; C163-V179 WeakPolarHBondContact CB-O 3.25Å; C163-V179 PolarHBondContact N-O 3.26Å; C163-V179 PolarHBondContact O-N 3.5Å; L165-V179 HydrophobicContact CB-CG2 3.83Å; L177-V179 HydrophobicContact CB-CG1 4.25Å; L177-V179 HydrophobicContact CD2-CG1 3.55Å; L177-V179 HydrophobicContact CG-CG1 3.77Å; L177-V179 PolarHBondContact O-N 3.36Å; V179-M188 HydrophobicContact CB-CE 4.47Å; V179-M188 HydrophobicContact CB-CG 4.46Å; V179-M188 HydrophobicContact CG1-CE 3.95Å; V179-M188 HydrophobicContact CG1-CG 3.81Å; V179-M188 HydrophobicContact CG2-CE 4.43Å; V179-L218 HydrophobicContact CB-CD2 4.34Å; V179-L218 HydrophobicContact CG2-CD2 3.62Å
180	R	77.3	Confident	80.5	Confident	97 Å²	97	61 Å²	61	37%	0.366	32%	0.317	S	S	.	.			trans	-102.4	157.1	175.3	-57	177.6	-176.5	-164.9	-2.2	109.3	E162 T182 D183 L218	E162-R180 HydrophobicContact CG-CG 4.42Å; R180-T182 PolarHBondContact O-N 2.88Å; R180-T182 VanDerWaalsContact O-N 3.12Å; R180-D183 WeakPolarHBondContact CA-OD2 3.23Å; R180-D183 VanDerWaalsContact CB-OD2 3.28Å; R180-D183 WeakPolarHBondContact CB-OD2 3.46Å; R180-D183 PolarHBondContact N-OD2 2.95Å; R180-D183 WeakPolarHBondContact O-CB 3.29Å; R180-D183 PolarHBondContact O-N 2.8Å; R180-L218 WeakPolarHBondContact O-CD2 3.4Å
181	S	68.9	Low	80.6	Confident	62 Å²	62	64.4 Å²	64.4	43%	0.434	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.8	-26	175.9	-49	0	0	0	0	112.7	D219	S181-D219 PolarHBondContact O-N 3.3Å
182	T	74.4	Confident	80.9	Confident	109 Å²	109	60.9 Å²	60.9	67%	0.669	30%	0.299	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.8	-10.7	176.2	55.3	0	0	0	0	114	R180	R180-T182 PolarHBondContact O-N 2.88Å; R180-T182 VanDerWaalsContact O-N 3.12Å
183	D	80.6	Confident	81.3	Confident	16 Å²	16	62.3 Å²	62.3	9%	0.086	29%	0.292	C	S	.	.			trans	-69.9	141.3	179.6	-84.8	-76.5	0	0	0	111.5	R180 M187 M188 L218	R180-D183 WeakPolarHBondContact CA-OD2 3.23Å; R180-D183 VanDerWaalsContact CB-OD2 3.28Å; R180-D183 WeakPolarHBondContact CB-OD2 3.46Å; R180-D183 PolarHBondContact N-OD2 2.95Å; R180-D183 WeakPolarHBondContact O-CB 3.29Å; R180-D183 PolarHBondContact O-N 2.8Å; D183-M187 HydrophobicContact CB-CB 4.41Å; D183-M187 VanDerWaalsContact OD1-CB 3.26Å; D183-M187 WeakPolarHBondContact OD1-CB 3.43Å; D183-M187 WeakPolarHBondContact OD1-CE 3.2Å; D183-M188 HydrophobicContact CB-CG 4.39Å; D183-L218 PolarHBondContact O-N 3.06Å
184	T	84.9	Confident	81.3	Confident	33 Å²	33	60.4 Å²	60.4	20%	0.202	30%	0.296	C	S	.	.	B	Isolated β-bridge	trans	-88.4	156.5	171.4	62.6	0	0	0	0	110.7	G186 M187 M188 R217	T184-G186 PolarHBondContact O-N 2.93Å; T184-G186 VanDerWaalsContact O-N 3.14Å; T184-M187 HydrophobicContact CG2-SD 3.97Å; T184-M187 PolarHBondContact N-SD 3.21Å; T184-M187 VanDerWaalsContact N-SD 3.44Å; T184-M187 WeakPolarHBondContact O-CA 3.4Å; T184-M187 WeakPolarHBondContact O-CB 3.49Å; T184-M187 PolarHBondContact O-N 3.34Å; T184-M187 WeakPolarHBondContact OG1-CG 3.44Å; T184-M187 PolarHBondContact OG1-N 3.33Å; T184-M187 PolarHBondContact OG1-SD 2.87Å; T184-M188 VanDerWaalsContact O-CG 3.31Å; T184-M188 WeakPolarHBondContact O-CG 3.4Å; T184-M188 PolarHBondContact O-N 3.26Å; T184-R217 HydrophobicContact CG2-CG 4.18Å
185	V	84.2	Confident	80.9	Confident	0 Å²	0	63.1 Å²	63.1	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-54.6	-33.7	171.2	171.3	0	0	0	0	111.1	M188 K189 L212 T213 L216 L221	V185-M188 HydrophobicContact CG2-SD 4.45Å; V185-M188 PolarHBondContact O-N 2.92Å; V185-K189 HydrophobicContact CG1-CD 4.32Å; V185-K189 HydrophobicContact CG1-CG 4.47Å; V185-K189 WeakPolarHBondContact O-CB 3.4Å; V185-K189 VanDerWaalsContact O-CG 3.31Å; V185-K189 WeakPolarHBondContact O-CG 3.5Å; V185-K189 PolarHBondContact O-N 2.89Å; V185-L212 HydrophobicContact CG1-CB 4.03Å; V185-L212 HydrophobicContact CG2-CB 4.15Å; V185-L212 HydrophobicContact CG2-CD1 4.31Å; V185-T213 WeakPolarHBondContact CB-O 3.43Å; V185-L216 HydrophobicContact CG2-CB 4.24Å; V185-L216 WeakPolarHBondContact CG2-O 3.48Å; V185-L216 PolarHBondContact N-O 3.39Å; V185-L221 HydrophobicContact CG2-CD1 3.53Å
186	G	83	Confident	80.4	Confident	17 Å²	17	65.4 Å²	65.4	18%	0.175	32%	0.316	C	S	.	.	H	α-helix	trans	-62.4	-39.9	173	0	0	0	0	0	113.9	T184 R190	T184-G186 PolarHBondContact O-N 2.93Å; T184-G186 VanDerWaalsContact O-N 3.14Å; G186-R190 PolarHBondContact O-N 3.03Å
187	M	83.4	Confident	79.7	Confident	76 Å²	76	60.5 Å²	60.5	37%	0.374	32%	0.315	S	S	.	.	H	α-helix	trans	-68.3	-39.5	174.4	-68.9	148.7	84.6	0	0	111.2	D183 T184 R190 R191	D183-M187 HydrophobicContact CB-CB 4.41Å; D183-M187 VanDerWaalsContact OD1-CB 3.26Å; D183-M187 WeakPolarHBondContact OD1-CB 3.43Å; D183-M187 WeakPolarHBondContact OD1-CE 3.2Å; T184-M187 HydrophobicContact CG2-SD 3.97Å; T184-M187 PolarHBondContact N-SD 3.21Å; T184-M187 VanDerWaalsContact N-SD 3.44Å; T184-M187 WeakPolarHBondContact O-CA 3.4Å; T184-M187 WeakPolarHBondContact O-CB 3.49Å; T184-M187 PolarHBondContact O-N 3.34Å; T184-M187 WeakPolarHBondContact OG1-CG 3.44Å; T184-M187 PolarHBondContact OG1-N 3.33Å; T184-M187 PolarHBondContact OG1-SD 2.87Å; M187-R190 WeakPolarHBondContact O-CB 3.29Å; M187-R190 PolarHBondContact O-N 3.02Å; M187-R191 WeakPolarHBondContact O-CG 3.41Å; M187-R191 PolarHBondContact O-N 3.25Å
188	M	82.9	Confident	79.4	Confident	0 Å²	0	61.2 Å²	61.2	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-65.2	-41.4	177.2	-57.9	163.8	77.6	0	0	112.3	L165 L177 V179 D183 T184 V185 R190 R191 L192 W205 L218	L165-M188 HydrophobicContact CD2-CE 3.05Å; L165-M188 HydrophobicContact CG-CE 4.47Å; L177-M188 HydrophobicContact CD2-CB 4.07Å; V179-M188 HydrophobicContact CB-CE 4.47Å; V179-M188 HydrophobicContact CB-CG 4.46Å; V179-M188 HydrophobicContact CG1-CE 3.95Å; V179-M188 HydrophobicContact CG1-CG 3.81Å; V179-M188 HydrophobicContact CG2-CE 4.43Å; D183-M188 HydrophobicContact CB-CG 4.39Å; T184-M188 VanDerWaalsContact O-CG 3.31Å; T184-M188 WeakPolarHBondContact O-CG 3.4Å; T184-M188 PolarHBondContact O-N 3.26Å; V185-M188 HydrophobicContact CG2-SD 4.45Å; V185-M188 PolarHBondContact O-N 2.92Å; M188-R190 VanDerWaalsContact C-N 3.31Å; M188-R190 PolarHBondContact O-N 3.02Å; M188-R191 PolarHBondContact O-N 2.75Å; M188-L192 PolarHBondContact O-N 3.5Å; M188-W205 HydrophobicContact CB-CH2 3.66Å; M188-W205 HydrophobicContact CB-CZ2 4.44Å; M188-W205 HydrophobicContact CB-CZ3 3.87Å; M188-W205 HydrophobicContact CE-CZ3 3.84Å; M188-L218 HydrophobicContact CE-CD1 3.74Å; M188-L218 HydrophobicContact SD-CD1 4.12Å
189	K	83.1	Confident	79.1	Confident	28 Å²	28	62 Å²	62	12%	0.122	32%	0.321	C	S	.	.	H	α-helix	trans	-58.1	-42.1	172.8	-77.7	176.4	-179.9	-174.4	0	112.4	V185 L192 Q193 A200 Q203 W205	V185-K189 HydrophobicContact CG1-CD 4.32Å; V185-K189 HydrophobicContact CG1-CG 4.47Å; V185-K189 WeakPolarHBondContact O-CB 3.4Å; V185-K189 VanDerWaalsContact O-CG 3.31Å; V185-K189 WeakPolarHBondContact O-CG 3.5Å; V185-K189 PolarHBondContact O-N 2.89Å; K189-L192 PolarHBondContact O-N 3.32Å; K189-Q193 WeakPolarHBondContact O-CB 3.15Å; K189-Q193 PolarHBondContact O-N 2.93Å; K189-A200 HydrophobicContact CB-CB 3.95Å; K189-Q203 PolarHBondContact O-NE2 3.18Å; K189-Q203 PolarHBondContact O-OE1 2.89Å; K189-W205 HydrophobicContact CG-CD2 4.29Å; K189-W205 HydrophobicContact CG-CG 4.41Å; K189-W205 HydrophobicContact CG-CZ2 4.13Å
190	R	82	Confident	78.7	Confident	166 Å²	166	63.6 Å²	63.6	63%	0.626	33%	0.334	S	S	*	.	H	α-helix	trans	-67.2	-40	177.1	-163.3	-169.9	-42	-99.8	-3.6	112	G186 M187 M188 Q193 N194	G186-R190 PolarHBondContact O-N 3.03Å; M187-R190 WeakPolarHBondContact O-CB 3.29Å; M187-R190 PolarHBondContact O-N 3.02Å; M188-R190 VanDerWaalsContact C-N 3.31Å; M188-R190 PolarHBondContact O-N 3.02Å; R190-Q193 WeakPolarHBondContact O-CB 3.34Å; R190-Q193 PolarHBondContact O-N 3.37Å; R190-N194 PolarHBondContact O-N 2.78Å
191	R	82.9	Confident	78.6	Confident	136 Å²	136	63.9 Å²	63.9	51%	0.513	36%	0.357	S	S	.	.	H	α-helix	trans	-64.5	-42	174.1	-72.1	-76.4	-173.8	153.4	1	111.4	L177 M187 M188 Q193 N194 Q195	L177-R191 HydrophobicContact CD1-CB 3.65Å; L177-R191 HydrophobicContact CD2-CB 3.95Å; L177-R191 HydrophobicContact CG-CB 4.21Å; M187-R191 WeakPolarHBondContact O-CG 3.41Å; M187-R191 PolarHBondContact O-N 3.25Å; M188-R191 PolarHBondContact O-N 2.75Å; R191-Q193 VanDerWaalsContact C-N 3.33Å; R191-N194 PolarHBondContact O-N 2.88Å; R191-Q195 WeakPolarHBondContact O-CG 3.44Å; R191-Q195 PolarHBondContact O-N 2.86Å
192	L	82.3	Confident	79	Confident	0 Å²	0	62.3 Å²	62.3	0%	0	35%	0.345	C	S	.	.	H	α-helix	trans	-63.1	-39.9	173.1	-176.9	61.7	0	0	0	111.5	L167 L175 M188 K189 N194 Q195 E196 Q203 W205 V231	L167-L192 HydrophobicContact CD1-CD1 4.04Å; L167-L192 HydrophobicContact CD1-CD2 4.4Å; L175-L192 HydrophobicContact CD1-CD1 4.01Å; L175-L192 HydrophobicContact CD2-CD1 3.97Å; M188-L192 PolarHBondContact O-N 3.5Å; K189-L192 PolarHBondContact O-N 3.32Å; L192-N194 VanDerWaalsContact C-N 3.29Å; L192-N194 PolarHBondContact O-N 3.34Å; L192-Q195 PolarHBondContact O-N 3.13Å; L192-E196 HydrophobicContact CD1-CB 4.36Å; L192-E196 PolarHBondContact O-N 3.07Å; L192-Q203 HydrophobicContact CD2-CG 4.49Å; L192-W205 HydrophobicContact CB-CZ2 3.89Å; L192-W205 HydrophobicContact CD2-CH2 4.47Å; L192-W205 HydrophobicContact CD2-CZ2 3.53Å; L192-W205 HydrophobicContact CG-CZ2 4.34Å; L192-V231 HydrophobicContact CD2-CG1 3.95Å; L192-V231 HydrophobicContact CD2-CG2 4.25Å
193	Q	82.2	Confident	79.4	Confident	78 Å²	78	57.3 Å²	57.3	36%	0.364	31%	0.314	S	S	.	.	H	α-helix	trans	-59.6	-38.7	173.3	179.2	177.7	23.5	0	0	112	K189 R190 R191 G197 V198	K189-Q193 WeakPolarHBondContact O-CB 3.15Å; K189-Q193 PolarHBondContact O-N 2.93Å; R190-Q193 WeakPolarHBondContact O-CB 3.34Å; R190-Q193 PolarHBondContact O-N 3.37Å; R191-Q193 VanDerWaalsContact C-N 3.33Å; Q193-G197 WeakPolarHBondContact O-CA 3.46Å; Q193-G197 PolarHBondContact O-N 3.44Å; Q193-V198 VanDerWaalsContact CA-O 3.28Å; Q193-V198 WeakPolarHBondContact CA-O 3.47Å; Q193-V198 WeakPolarHBondContact CB-O 3.43Å; Q193-V198 VanDerWaalsContact CG-O 3.29Å; Q193-V198 WeakPolarHBondContact CG-O 3.18Å
194	N	78.9	Confident	79.6	Confident	141 Å²	141	64 Å²	64	75%	0.754	34%	0.338	S	S	*	.	H	α-helix	trans	-73	-29.6	177.3	-165.5	77.3	0	0	0	113.2	R190 R191 L192	R190-N194 PolarHBondContact O-N 2.78Å; R191-N194 PolarHBondContact O-N 2.88Å; L192-N194 VanDerWaalsContact C-N 3.29Å; L192-N194 PolarHBondContact O-N 3.34Å
195	Q	75.6	Confident	79.6	Confident	130 Å²	130	62.5 Å²	62.5	61%	0.607	33%	0.329	S	S	*	.	H	α-helix	trans	-82.7	-43.3	-179.2	-78	-78.8	-21.2	0	0	112.7	L175 L177 R191 L192	L175-Q195 HydrophobicContact CD1-CB 4.42Å; L177-Q195 HydrophobicContact CD1-CG 4.26Å; R191-Q195 WeakPolarHBondContact O-CG 3.44Å; R191-Q195 PolarHBondContact O-N 2.86Å; L192-Q195 PolarHBondContact O-N 3.13Å
196	E	74.4	Confident	79.6	Confident	78 Å²	78	65 Å²	65	36%	0.364	34%	0.34	S	S	.	.	H	α-helix	trans	-108.8	-14.7	-175.4	-151.8	-106.5	107.7	0	0	113.3	L192 V198 L233	L192-E196 HydrophobicContact CD1-CB 4.36Å; L192-E196 PolarHBondContact O-N 3.07Å; E196-V198 VanDerWaalsContact C-N 3.34Å; E196-V198 HydrophobicContact CG-CG2 4.49Å; E196-V198 VanDerWaalsContact OE1-CG2 3.31Å; E196-V198 WeakPolarHBondContact OE1-CG2 3.4Å; E196-V198 WeakPolarHBondContact OE2-CG2 3.34Å; E196-L233 WeakPolarHBondContact OE2-CD1 3.31Å
197	G	69.6	Low	79.6	Confident	55 Å²	55	65.8 Å²	65.8	57%	0.567	34%	0.338	S	S	*	.			trans	84.9	2.9	-177.8	0	0	0	0	0	114.3	Q193	Q193-G197 WeakPolarHBondContact O-CA 3.46Å; Q193-G197 PolarHBondContact O-N 3.44Å
198	V	75.1	Confident	79.3	Confident	18 Å²	18	67 Å²	67	11%	0.109	36%	0.355	C	S	.	.			trans	-85.6	127.5	-175.1	179.6	0	0	0	0	111.8	Q193 E196 A200 T202 Q203 L233	Q193-V198 VanDerWaalsContact CA-O 3.28Å; Q193-V198 WeakPolarHBondContact CA-O 3.47Å; Q193-V198 WeakPolarHBondContact CB-O 3.43Å; Q193-V198 VanDerWaalsContact CG-O 3.29Å; Q193-V198 WeakPolarHBondContact CG-O 3.18Å; E196-V198 VanDerWaalsContact C-N 3.34Å; E196-V198 HydrophobicContact CG-CG2 4.49Å; E196-V198 VanDerWaalsContact OE1-CG2 3.31Å; E196-V198 WeakPolarHBondContact OE1-CG2 3.4Å; E196-V198 WeakPolarHBondContact OE2-CG2 3.34Å; V198-A200 PolarHBondContact O-N 2.84Å; V198-T202 HydrophobicContact CG1-CG2 3.95Å; V198-Q203 HydrophobicContact CB-CG 4.43Å; V198-Q203 HydrophobicContact CG1-CG 3.79Å; V198-Q203 PolarHBondContact O-NE2 3.41Å; V198-L233 HydrophobicContact CG1-CD1 4.36Å; V198-L233 HydrophobicContact CG1-CD2 3.77Å; V198-L233 HydrophobicContact CG2-CD1 4.01Å
199	P	74.9	Confident	78.9	Confident	60 Å²	60	70.4 Å²	70.4	39%	0.39	39%	0.39	S	S	.	.			trans	-63.1	136.3	-179.6	22.9	-32.2	0	0	0	112.2	A201 T202	P199-A201 PolarHBondContact O-N 3.41Å; P199-T202 WeakPolarHBondContact O-CB 3.08Å; P199-T202 PolarHBondContact O-N 3.43Å
200	A	73.1	Confident	78.8	Confident	36 Å²	36	78.6 Å²	78.6	30%	0.298	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-26.5	-179	0	0	0	0	0	114	K189 V198 T202 Q203	K189-A200 HydrophobicContact CB-CB 3.95Å; V198-A200 PolarHBondContact O-N 2.84Å; A200-T202 VanDerWaalsContact C-N 3.3Å; A200-T202 PolarHBondContact O-N 2.96Å; A200-Q203 PolarHBondContact O-N 3.38Å
201	A	74.1	Confident	78.9	Confident	102 Å²	102	74.8 Å²	74.8	84%	0.843	42%	0.417	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.6	-28.4	176.3	0	0	0	0	0	113.5	P199	P199-A201 PolarHBondContact O-N 3.41Å
202	T	77.6	Confident	78.9	Confident	29 Å²	29	68.9 Å²	68.9	18%	0.178	40%	0.395	C	S	.	.	T	Hydrogen-bonded Turn	trans	-88	-16	179.8	-72.6	0	0	0	0	112.3	V198 P199 A200 S234	V198-T202 HydrophobicContact CG1-CG2 3.95Å; P199-T202 WeakPolarHBondContact O-CB 3.08Å; P199-T202 PolarHBondContact O-N 3.43Å; A200-T202 VanDerWaalsContact C-N 3.3Å; A200-T202 PolarHBondContact O-N 2.96Å; T202-S234 VanDerWaalsContact CG2-C 3.44Å; T202-S234 WeakPolarHBondContact CG2-O 3.48Å; T202-S234 PolarHBondContact O-N 3.1Å; T202-S234 VanDerWaalsContact O-N 3.09Å
203	Q	82	Confident	78.9	Confident	4 Å²	4	72.4 Å²	72.4	2%	0.019	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.8	112.7	-176.8	-56.4	173.5	13.8	0	0	111.2	K189 L192 V198 A200 V231 L233	K189-Q203 PolarHBondContact O-NE2 3.18Å; K189-Q203 PolarHBondContact O-OE1 2.89Å; L192-Q203 HydrophobicContact CD2-CG 4.49Å; V198-Q203 HydrophobicContact CB-CG 4.43Å; V198-Q203 HydrophobicContact CG1-CG 3.79Å; V198-Q203 PolarHBondContact O-NE2 3.41Å; A200-Q203 PolarHBondContact O-N 3.38Å; Q203-V231 HydrophobicContact CB-CG1 4.18Å; Q203-L233 HydrophobicContact CB-CD2 4.34Å; Q203-L233 HydrophobicContact CG-CD2 3.89Å
204	R	84.4	Confident	78.7	Confident	157 Å²	157	73.1 Å²	73.1	59%	0.592	42%	0.423	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.5	114.8	168.2	-65.5	-175	-178.5	-175.9	0.8	109.6	F206 V231 I232	R204-F206 HydrophobicContact CB-CD2 4.42Å; R204-F206 HydrophobicContact CB-CE2 3.59Å; R204-F206 HydrophobicContact CB-CZ 4.24Å; R204-V231 CarbonylContact O-C 3.59Å; R204-V231 WeakPolarHBondContact O-CA 3.44Å; R204-I232 HydrophobicContact CB-CB 4.38Å; R204-I232 PolarHBondContact N-O 3.28Å; R204-I232 PolarHBondContact O-N 2.88Å
205	W	85.8	Confident	78.6	Confident	1 Å²	1	76.5 Å²	76.5	0%	0.004	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.5	136.2	-177.2	-71.5	48.3	0	0	0	109.1	L165 L167 L177 M188 K189 L192 P211 L212 V229 Q230 V231	L165-W205 HydrophobicContact CD2-CZ3 4.47Å; L167-W205 HydrophobicContact CD1-CH2 3.81Å; L167-W205 HydrophobicContact CD1-CZ2 4.38Å; L167-W205 HydrophobicContact CD1-CZ3 4.5Å; L167-W205 HydrophobicContact CD2-CE3 3.95Å; L167-W205 HydrophobicContact CD2-CH2 3.41Å; L167-W205 VanDerWaalsContact CD2-CH2 3.41Å; L167-W205 HydrophobicContact CD2-CZ2 4.13Å; L167-W205 HydrophobicContact CD2-CZ3 3.3Å; L167-W205 HydrophobicContact CG-CH2 4.27Å; L177-W205 HydrophobicContact CD2-CH2 4.26Å; M188-W205 HydrophobicContact CB-CH2 3.66Å; M188-W205 HydrophobicContact CB-CZ2 4.44Å; M188-W205 HydrophobicContact CB-CZ3 3.87Å; M188-W205 HydrophobicContact CE-CZ3 3.84Å; K189-W205 HydrophobicContact CG-CD2 4.29Å; K189-W205 HydrophobicContact CG-CG 4.41Å; K189-W205 HydrophobicContact CG-CZ2 4.13Å; L192-W205 HydrophobicContact CB-CZ2 3.89Å; L192-W205 HydrophobicContact CD2-CH2 4.47Å; L192-W205 HydrophobicContact CD2-CZ2 3.53Å; L192-W205 HydrophobicContact CG-CZ2 4.34Å; W205-P211 CarbonylContact O-C 3.55Å; W205-P211 WeakPolarHBondContact O-CA 3.13Å; W205-L212 HydrophobicContact CB-CB 3.91Å; W205-L212 HydrophobicContact CB-CD1 4.2Å; W205-L212 HydrophobicContact CB-CG 4.39Å; W205-L212 HydrophobicContact CE3-CD1 4.39Å; W205-L212 PolarHBondContact O-N 3.49Å; W205-V229 HydrophobicContact CB-CG1 4.45Å; W205-V229 HydrophobicContact CD2-CG1 4.31Å; W205-V229 HydrophobicContact CE3-CG1 3.61Å; W205-V229 HydrophobicContact CZ3-CG1 4.2Å; W205-Q230 CarbonylContact C-O 3.47Å; W205-Q230 WeakPolarHBondContact CA-O 3.14Å; W205-V231 HydrophobicContact CD2-CG2 3.98Å; W205-V231 HydrophobicContact CE3-CG2 4.48Å; W205-V231 HydrophobicContact CG-CG1 4.49Å; W205-V231 HydrophobicContact CG-CG2 4.2Å; W205-V231 HydrophobicContact CZ2-CG2 4.37Å
206	F	84.3	Confident	78.7	Confident	54 Å²	54	72.7 Å²	72.7	24%	0.237	41%	0.409	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.6	136.3	-179.6	-65.3	-93.1	0	0	0	110	R204 R210 P211 Q230 I232	R204-F206 HydrophobicContact CB-CD2 4.42Å; R204-F206 HydrophobicContact CB-CE2 3.59Å; R204-F206 HydrophobicContact CB-CZ 4.24Å; F206-R210 CarbonylContact C-O 3.53Å; F206-R210 WeakPolarHBondContact CA-O 3.42Å; F206-P211 HydrophobicContact CD1-CB 4.1Å; F206-P211 HydrophobicContact CE1-CB 3.91Å; F206-Q230 HydrophobicContact CB-CB 4.38Å; F206-Q230 PolarHBondContact N-O 3.27Å; F206-Q230 PolarHBondContact O-N 3.24Å; F206-I232 HydrophobicContact CD2-CD1 3.78Å; F206-I232 HydrophobicContact CD2-CG1 3.87Å; F206-I232 HydrophobicContact CE2-CB 4.13Å; F206-I232 HydrophobicContact CE2-CD1 3.46Å; F206-I232 VanDerWaalsContact CE2-CD1 3.46Å; F206-I232 HydrophobicContact CE2-CG1 3.8Å; F206-I232 HydrophobicContact CZ-CD1 4.19Å
207	F	83.3	Confident	78.9	Confident	32 Å²	32	75.7 Å²	75.7	14%	0.14	42%	0.417	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	123	176.3	177.5	-112.4	0	0	0	109.7	G209 R210 L212 I223 Y227 V229	F207-G209 PolarHBondContact O-N 3.11Å; F207-R210 PolarHBondContact N-O 2.99Å; F207-R210 PolarHBondContact O-N 2.72Å; F207-L212 HydrophobicContact CB-CD1 4.03Å; F207-L212 HydrophobicContact CB-CD2 3.83Å; F207-L212 HydrophobicContact CB-CG 3.99Å; F207-I223 HydrophobicContact CB-CD1 4.39Å; F207-I223 HydrophobicContact CD1-CD1 4.37Å; F207-I223 HydrophobicContact CD1-CG1 3.92Å; F207-I223 HydrophobicContact CD2-CD1 4.24Å; F207-I223 HydrophobicContact CD2-CG1 3.85Å; F207-I223 HydrophobicContact CE1-CG1 3.88Å; F207-I223 HydrophobicContact CE2-CB 4.48Å; F207-I223 HydrophobicContact CE2-CG1 3.82Å; F207-I223 HydrophobicContact CE2-CG2 4.36Å; F207-I223 HydrophobicContact CG-CD1 4.07Å; F207-I223 HydrophobicContact CG-CG1 3.9Å; F207-I223 HydrophobicContact CZ-CG1 3.83Å; F207-Y227 AromaticContact CE2-CD1 3.61Å; F207-Y227 HydrophobicContact CE2-CD1 3.61Å; F207-Y227 HydrophobicContact CE2-CE1 4.38Å; F207-Y227 AromaticContact CE2-CG 3.97Å; F207-Y227 HydrophobicContact CE2-CG 3.97Å; F207-Y227 AromaticContact CZ-CD1 3.93Å; F207-Y227 HydrophobicContact CZ-CD1 3.93Å; F207-Y227 HydrophobicContact CZ-CE1 4.31Å; F207-Y227 HydrophobicContact CZ-CG 4.35Å; F207-V229 HydrophobicContact CD2-CG2 4.17Å
208	S	76.3	Confident	79.2	Confident	103 Å²	103	73.7 Å²	73.7	72%	0.72	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	47	38	-176.6	-64.9	0	0	0	0	113.6	R210	S208-R210 VanDerWaalsContact C-N 3.34Å; S208-R210 PolarHBondContact O-N 3.36Å
209	G	75	Confident	78.9	Confident	71 Å²	71	77.6 Å²	77.6	73%	0.732	41%	0.413	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-0.3	-178.1	0	0	0	0	0	116	F207	F207-G209 PolarHBondContact O-N 3.11Å
210	R	81.2	Confident	78.7	Confident	199 Å²	199	80.1 Å²	80.1	75%	0.751	42%	0.42	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-101.6	131.8	176.2	-60.9	-172.9	178.8	-162.2	-0.1	111.2	F206 F207 S208	F206-R210 CarbonylContact C-O 3.53Å; F206-R210 WeakPolarHBondContact CA-O 3.42Å; F207-R210 PolarHBondContact N-O 2.99Å; F207-R210 PolarHBondContact O-N 2.72Å; S208-R210 VanDerWaalsContact C-N 3.34Å; S208-R210 PolarHBondContact O-N 3.36Å
211	P	83.6	Confident	78.3	Confident	87 Å²	87	79.7 Å²	79.7	57%	0.565	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-68.9	134.6	176.2	28.3	-33.3	0	0	0	110.8	W205 F206	W205-P211 CarbonylContact O-C 3.55Å; W205-P211 WeakPolarHBondContact O-CA 3.13Å; F206-P211 HydrophobicContact CD1-CB 4.1Å; F206-P211 HydrophobicContact CE1-CB 3.91Å
212	L	83.8	Confident	77.9	Confident	11 Å²	11	78 Å²	78	6%	0.058	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.6	121.2	176	-62	-176.5	0	0	0	110.4	V185 W205 F207 L221 I223 V229	V185-L212 HydrophobicContact CG1-CB 4.03Å; V185-L212 HydrophobicContact CG2-CB 4.15Å; V185-L212 HydrophobicContact CG2-CD1 4.31Å; W205-L212 HydrophobicContact CB-CB 3.91Å; W205-L212 HydrophobicContact CB-CD1 4.2Å; W205-L212 HydrophobicContact CB-CG 4.39Å; W205-L212 HydrophobicContact CE3-CD1 4.39Å; W205-L212 PolarHBondContact O-N 3.49Å; F207-L212 HydrophobicContact CB-CD1 4.03Å; F207-L212 HydrophobicContact CB-CD2 3.83Å; F207-L212 HydrophobicContact CB-CG 3.99Å; L212-L221 HydrophobicContact CD1-CD1 4.23Å; L212-L221 HydrophobicContact CD2-CD1 3.6Å; L212-L221 HydrophobicContact CD2-CD2 3.43Å; L212-L221 VanDerWaalsContact CD2-CD2 3.43Å; L212-L221 HydrophobicContact CD2-CG 4.11Å; L212-L221 HydrophobicContact CG-CD1 4.45Å; L212-I223 HydrophobicContact CD1-CD1 3.88Å; L212-I223 HydrophobicContact CD2-CD1 4.46Å; L212-V229 HydrophobicContact CD1-CG1 4.01Å
213	T	81.7	Confident	77.3	Confident	75 Å²	75	77.2 Å²	77.2	46%	0.46	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-89.5	153	172.3	50.3	0	0	0	0	111.2	V185 R215 L216	V185-T213 WeakPolarHBondContact CB-O 3.43Å; T213-R215 PolarHBondContact O-N 3.47Å; T213-L216 WeakPolarHBondContact O-CB 3.49Å; T213-L216 PolarHBondContact O-N 3.3Å; T213-L216 VanDerWaalsContact O-N 3.13Å; T213-L216 WeakPolarHBondContact OG1-CD1 3.37Å; T213-L216 WeakPolarHBondContact OG1-CG 3.47Å
214	D	79	Confident	76.3	Confident	92 Å²	92	80 Å²	80	49%	0.492	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-24.5	-178.3	56.1	-80	0	0	0	113.9	L216	D214-L216 VanDerWaalsContact C-N 3.28Å; D214-L216 PolarHBondContact O-N 2.7Å
215	R	76	Confident	75.3	Confident	212 Å²	212	80.7 Å²	80.7	80%	0.8	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74	-17.5	178.4	-62.6	-172.2	174.5	173.8	-2.6	113.6	T213	T213-R215 PolarHBondContact O-N 3.47Å
216	L	76.8	Confident	74.2	Confident	51 Å²	51	86.4 Å²	86.4	27%	0.267	44%	0.437	S	S	.	.			trans	-80.3	135.6	-179.1	-66.7	164.8	0	0	0	110	V185 T213 D214 L221	V185-L216 HydrophobicContact CG2-CB 4.24Å; V185-L216 WeakPolarHBondContact CG2-O 3.48Å; V185-L216 PolarHBondContact N-O 3.39Å; T213-L216 WeakPolarHBondContact O-CB 3.49Å; T213-L216 PolarHBondContact O-N 3.3Å; T213-L216 VanDerWaalsContact O-N 3.13Å; T213-L216 WeakPolarHBondContact OG1-CD1 3.37Å; T213-L216 WeakPolarHBondContact OG1-CG 3.47Å; D214-L216 VanDerWaalsContact C-N 3.28Å; D214-L216 PolarHBondContact O-N 2.7Å; L216-L221 HydrophobicContact CB-CD1 3.86Å; L216-L221 HydrophobicContact CB-CD2 3.98Å; L216-L221 HydrophobicContact CB-CG 3.99Å; L216-L221 HydrophobicContact CD1-CD2 3.8Å; L216-L221 HydrophobicContact CD2-CD2 4.33Å; L216-L221 HydrophobicContact CG-CD2 4.24Å
217	R	79.1	Confident	73.7	Confident	141 Å²	141	89.1 Å²	89.1	53%	0.532	45%	0.447	S	S	.	.	B	Isolated β-bridge	trans	-92.6	152.2	175.3	-51.3	-162.4	175.6	171.3	-2.5	110.4	T184 D219 Q220 L221	T184-R217 HydrophobicContact CG2-CG 4.18Å; R217-D219 PolarHBondContact O-N 2.82Å; R217-Q220 HydrophobicContact CB-CG 4.25Å; R217-Q220 PolarHBondContact O-N 3.36Å; R217-Q220 VanDerWaalsContact O-N 3.09Å; R217-L221 WeakPolarHBondContact O-CG 3.29Å; R217-L221 PolarHBondContact O-N 3.15Å
218	L	75.6	Confident	73.5	Confident	13 Å²	13	90.7 Å²	90.7	7%	0.068	46%	0.459	C	S	.	.	H	α-helix	trans	-55.1	-41.5	176.5	-169.5	70.2	0	0	0	111.3	V179 R180 D183 M188 L221 N222 I223	V179-L218 HydrophobicContact CB-CD2 4.34Å; V179-L218 HydrophobicContact CG2-CD2 3.62Å; R180-L218 WeakPolarHBondContact O-CD2 3.4Å; D183-L218 PolarHBondContact O-N 3.06Å; M188-L218 HydrophobicContact CE-CD1 3.74Å; M188-L218 HydrophobicContact SD-CD1 4.12Å; L218-L221 PolarHBondContact O-N 3.43Å; L218-N222 PolarHBondContact O-N 2.88Å; L218-I223 HydrophobicContact CD1-CB 3.78Å; L218-I223 HydrophobicContact CD1-CD1 4.29Å; L218-I223 HydrophobicContact CD1-CG2 4.09Å
219	D	69.4	Low	74	Confident	100 Å²	100	85.8 Å²	85.8	54%	0.535	42%	0.424	S	S	.	.	H	α-helix	trans	-55.4	-47.5	174	-172.4	-104.1	0	0	0	113.4	S181 R217 L221 N222	S181-D219 PolarHBondContact O-N 3.3Å; R217-D219 PolarHBondContact O-N 2.82Å; D219-L221 PolarHBondContact O-N 3.2Å; D219-N222 PolarHBondContact O-N 3.2Å
220	Q	71.1	Confident	74.4	Confident	112 Å²	112	87.4 Å²	87.4	52%	0.523	41%	0.413	S	S	.	.	H	α-helix	trans	-67.3	-25.4	179.6	-70.7	175.2	-8.9	0	0	113.4	R217	R217-Q220 HydrophobicContact CB-CG 4.25Å; R217-Q220 PolarHBondContact O-N 3.36Å; R217-Q220 VanDerWaalsContact O-N 3.09Å
221	L	64.6	Low	74.6	Confident	28 Å²	28	77.9 Å²	77.9	15%	0.147	38%	0.377	C	S	.	.	H	α-helix	trans	-88.5	-8.8	-176.2	-64.7	166.8	0	0	0	112.5	V185 L212 L216 R217 L218 D219 I223	V185-L221 HydrophobicContact CG2-CD1 3.53Å; L212-L221 HydrophobicContact CD1-CD1 4.23Å; L212-L221 HydrophobicContact CD2-CD1 3.6Å; L212-L221 HydrophobicContact CD2-CD2 3.43Å; L212-L221 VanDerWaalsContact CD2-CD2 3.43Å; L212-L221 HydrophobicContact CD2-CG 4.11Å; L212-L221 HydrophobicContact CG-CD1 4.45Å; L216-L221 HydrophobicContact CB-CD1 3.86Å; L216-L221 HydrophobicContact CB-CD2 3.98Å; L216-L221 HydrophobicContact CB-CG 3.99Å; L216-L221 HydrophobicContact CD1-CD2 3.8Å; L216-L221 HydrophobicContact CD2-CD2 4.33Å; L216-L221 HydrophobicContact CG-CD2 4.24Å; R217-L221 WeakPolarHBondContact O-CG 3.29Å; R217-L221 PolarHBondContact O-N 3.15Å; L218-L221 PolarHBondContact O-N 3.43Å; D219-L221 PolarHBondContact O-N 3.2Å; L221-I223 HydrophobicContact CB-CD1 3.54Å; L221-I223 HydrophobicContact CB-CG1 3.6Å; L221-I223 HydrophobicContact CD1-CD1 3.64Å; L221-I223 HydrophobicContact CG-CD1 4.18Å; L221-I223 PolarHBondContact O-N 2.94Å
222	N	64.7	Low	74.7	Confident	67 Å²	67	77 Å²	77	36%	0.358	37%	0.366	S	S	.	.	T	Hydrogen-bonded Turn	trans	48.9	29	-173.1	-67.9	-78.9	0	0	0	112.9	L218 D219 S224	L218-N222 PolarHBondContact O-N 2.88Å; D219-N222 PolarHBondContact O-N 3.2Å; N222-S224 PolarHBondContact O-N 3.5Å
223	I	66.1	Low	74.5	Confident	11 Å²	11	77.3 Å²	77.3	6%	0.056	37%	0.368	C	S	.	.			trans	-73.9	104.3	179.3	-64.2	166.7	0	0	0	107.1	L165 F207 L212 L218 L221 V229	L165-I223 HydrophobicContact CD1-CG2 3.39Å; F207-I223 HydrophobicContact CB-CD1 4.39Å; F207-I223 HydrophobicContact CD1-CD1 4.37Å; F207-I223 HydrophobicContact CD1-CG1 3.92Å; F207-I223 HydrophobicContact CD2-CD1 4.24Å; F207-I223 HydrophobicContact CD2-CG1 3.85Å; F207-I223 HydrophobicContact CE1-CG1 3.88Å; F207-I223 HydrophobicContact CE2-CB 4.48Å; F207-I223 HydrophobicContact CE2-CG1 3.82Å; F207-I223 HydrophobicContact CE2-CG2 4.36Å; F207-I223 HydrophobicContact CG-CD1 4.07Å; F207-I223 HydrophobicContact CG-CG1 3.9Å; F207-I223 HydrophobicContact CZ-CG1 3.83Å; L212-I223 HydrophobicContact CD1-CD1 3.88Å; L212-I223 HydrophobicContact CD2-CD1 4.46Å; L218-I223 HydrophobicContact CD1-CB 3.78Å; L218-I223 HydrophobicContact CD1-CD1 4.29Å; L218-I223 HydrophobicContact CD1-CG2 4.09Å; L221-I223 HydrophobicContact CB-CD1 3.54Å; L221-I223 HydrophobicContact CB-CG1 3.6Å; L221-I223 HydrophobicContact CD1-CD1 3.64Å; L221-I223 HydrophobicContact CG-CD1 4.18Å; L221-I223 PolarHBondContact O-N 2.94Å; I223-V229 HydrophobicContact CD1-CG2 4.08Å; I223-V229 HydrophobicContact CG2-CG2 3.99Å
224	S	60.9	Low	73.9	Confident	63 Å²	63	76.4 Å²	76.4	44%	0.441	37%	0.365	S	S	.	.			trans	-73.6	163.5	178	-31.6	0	0	0	0	111.9	N222 D226 Y227	N222-S224 PolarHBondContact O-N 3.5Å; S224-D226 PolarHBondContact O-N 2.93Å; S224-Y227 VanDerWaalsContact CB-CD2 3.47Å; S224-Y227 WeakPolarHBondContact O-CB 3.3Å; S224-Y227 PolarHBondContact O-N 3.42Å; S224-Y227 VanDerWaalsContact OG-CE2 3.28Å; S224-Y227 WeakPolarHBondContact OG-CE2 3.3Å
225	R	62.9	Low	72.7	Confident	171 Å²	171	80.1 Å²	80.1	65%	0.645	38%	0.38	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60	-17.1	-175.2	-42.1	-176	-167.8	166	2.3	114.3	C163 Q164	C163-R225 HydrophobicContact CB-CB 4.49Å; C163-R225 HydrophobicContact CB-CG 3.78Å; C163-R225 WeakPolarHBondContact SG-CD 3.34Å; C163-R225 PolarHBondContact SG-NE 3.1Å; Q164-R225 CarbonylContact O-C 3.52Å; Q164-R225 VanDerWaalsContact O-CA 3.31Å; Q164-R225 WeakPolarHBondContact O-CA 3.47Å
226	D	63.4	Low	71.4	Confident	122 Å²	122	80.5 Å²	80.5	65%	0.652	38%	0.381	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	-0.6	177.9	-139.8	-103.4	0	0	0	113.6	S224	S224-D226 PolarHBondContact O-N 2.93Å
227	Y	72.6	Confident	69.7	Low	111 Å²	111	83.1 Å²	83.1	44%	0.435	40%	0.401	S	S	.	.			trans	-75.4	147.6	-179.9	-83.5	-93.8	0	0	0	112.3	L165 R166 F207 S224	L165-Y227 WeakPolarHBondContact CD1-O 3.26Å; R166-Y227 PolarHBondContact N-O 2.85Å; F207-Y227 AromaticContact CE2-CD1 3.61Å; F207-Y227 HydrophobicContact CE2-CD1 3.61Å; F207-Y227 HydrophobicContact CE2-CE1 4.38Å; F207-Y227 AromaticContact CE2-CG 3.97Å; F207-Y227 HydrophobicContact CE2-CG 3.97Å; F207-Y227 AromaticContact CZ-CD1 3.93Å; F207-Y227 HydrophobicContact CZ-CD1 3.93Å; F207-Y227 HydrophobicContact CZ-CE1 4.31Å; F207-Y227 HydrophobicContact CZ-CG 4.35Å; S224-Y227 VanDerWaalsContact CB-CD2 3.47Å; S224-Y227 WeakPolarHBondContact O-CB 3.3Å; S224-Y227 PolarHBondContact O-N 3.42Å; S224-Y227 VanDerWaalsContact OG-CE2 3.28Å; S224-Y227 WeakPolarHBondContact OG-CE2 3.3Å
228	V	80.1	Confident	68.4	Low	65 Å²	65	81.8 Å²	81.8	39%	0.394	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	114	177.1	-177.6	0	0	0	0	109	R166 R168	R166-V228 HydrophobicContact CB-CG2 4.19Å; R166-V228 WeakPolarHBondContact O-CA 3.3Å; R168-V228 HydrophobicContact CB-CG1 3.54Å
229	V	85.6	Confident	67.1	Low	0 Å²	0	87.2 Å²	87.2	0%	0	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	126.7	171.9	171.8	0	0	0	0	109	L165 R166 L167 R168 W205 F207 L212 I223 V231	L165-V229 HydrophobicContact CD1-CG2 4.15Å; L165-V229 HydrophobicContact CD2-CG2 4.05Å; L165-V229 HydrophobicContact CG-CG2 4.47Å; R166-V229 PolarHBondContact O-N 2.74Å; L167-V229 CarbonylContact C-O 3.59Å; L167-V229 WeakPolarHBondContact CA-O 3.41Å; L167-V229 HydrophobicContact CD2-CB 3.82Å; L167-V229 HydrophobicContact CD2-CG1 3.95Å; R168-V229 PolarHBondContact N-O 3.1Å; W205-V229 HydrophobicContact CB-CG1 4.45Å; W205-V229 HydrophobicContact CD2-CG1 4.31Å; W205-V229 HydrophobicContact CE3-CG1 3.61Å; W205-V229 HydrophobicContact CZ3-CG1 4.2Å; F207-V229 HydrophobicContact CD2-CG2 4.17Å; L212-V229 HydrophobicContact CD1-CG1 4.01Å; I223-V229 HydrophobicContact CD1-CG2 4.08Å; I223-V229 HydrophobicContact CG2-CG2 3.99Å; V229-V231 HydrophobicContact CG1-CG2 4.49Å
230	Q	85.2	Confident	65.8	Low	104 Å²	104	90.6 Å²	90.6	49%	0.486	46%	0.459	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	124.8	-179.2	-165.5	165.1	29.1	0	0	110.1	R168 W205 F206	R168-Q230 CarbonylContact O-C 3.54Å; R168-Q230 WeakPolarHBondContact O-CA 3.5Å; W205-Q230 CarbonylContact C-O 3.47Å; W205-Q230 WeakPolarHBondContact CA-O 3.14Å; F206-Q230 HydrophobicContact CB-CB 4.38Å; F206-Q230 PolarHBondContact N-O 3.27Å; F206-Q230 PolarHBondContact O-N 3.24Å
231	V	84.9	Confident	64.6	Low	0 Å²	0	91.1 Å²	91.1	0%	0	47%	0.472	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	110	-179.4	-171.9	0	0	0	0	108.7	L167 R168 L169 S170 L192 Q203 R204 W205 V229 L233	L167-V231 HydrophobicContact CB-CG2 4.3Å; L167-V231 HydrophobicContact CD2-CG2 3.68Å; R168-V231 PolarHBondContact O-N 3.37Å; L169-V231 CarbonylContact C-O 3.51Å; L169-V231 WeakPolarHBondContact CA-O 3.32Å; S170-V231 PolarHBondContact N-O 3.38Å; L192-V231 HydrophobicContact CD2-CG1 3.95Å; L192-V231 HydrophobicContact CD2-CG2 4.25Å; Q203-V231 HydrophobicContact CB-CG1 4.18Å; R204-V231 CarbonylContact O-C 3.59Å; R204-V231 WeakPolarHBondContact O-CA 3.44Å; W205-V231 HydrophobicContact CD2-CG2 3.98Å; W205-V231 HydrophobicContact CE3-CG2 4.48Å; W205-V231 HydrophobicContact CG-CG1 4.49Å; W205-V231 HydrophobicContact CG-CG2 4.2Å; W205-V231 HydrophobicContact CZ2-CG2 4.37Å; V229-V231 HydrophobicContact CG1-CG2 4.49Å; V231-L233 HydrophobicContact CG1-CD2 3.8Å
232	I	85.3	Confident	64	Low	67 Å²	67	96.6 Å²	96.6	34%	0.344	51%	0.507	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	121.2	174.3	-55	-176.3	0	0	0	108.4	R204 F206	R204-I232 HydrophobicContact CB-CB 4.38Å; R204-I232 PolarHBondContact N-O 3.28Å; R204-I232 PolarHBondContact O-N 2.88Å; F206-I232 HydrophobicContact CD2-CD1 3.78Å; F206-I232 HydrophobicContact CD2-CG1 3.87Å; F206-I232 HydrophobicContact CE2-CB 4.13Å; F206-I232 HydrophobicContact CE2-CD1 3.46Å; F206-I232 VanDerWaalsContact CE2-CD1 3.46Å; F206-I232 HydrophobicContact CE2-CG1 3.8Å; F206-I232 HydrophobicContact CZ-CD1 4.19Å
233	L	80.3	Confident	63.3	Low	18 Å²	18	99.3 Å²	99.3	9%	0.094	53%	0.526	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97	115.3	177.5	-58.4	-173.6	0	0	0	110.1	L169 S170 T171 E196 V198 Q203 V231 Q235	L169-L233 HydrophobicContact CD2-CD1 3.69Å; L169-L233 HydrophobicContact CD2-CD2 4.3Å; L169-L233 HydrophobicContact CD2-CG 4.09Å; S170-L233 PolarHBondContact OG-N 3.44Å; T171-L233 HydrophobicContact CG2-CD1 4.37Å; E196-L233 WeakPolarHBondContact OE2-CD1 3.31Å; V198-L233 HydrophobicContact CG1-CD1 4.36Å; V198-L233 HydrophobicContact CG1-CD2 3.77Å; V198-L233 HydrophobicContact CG2-CD1 4.01Å; Q203-L233 HydrophobicContact CB-CD2 4.34Å; Q203-L233 HydrophobicContact CG-CD2 3.89Å; V231-L233 HydrophobicContact CG1-CD2 3.8Å; L233-Q235 PolarHBondContact O-N 3.13Å
234	S	69.1	Low	62.5	Low	57 Å²	57	104.1 Å²	104.1	40%	0.399	56%	0.558	S	S	.	*			trans	-82.9	83.4	169.1	-60.9	0	0	0	0	110.2	T202 R236	T202-S234 VanDerWaalsContact CG2-C 3.44Å; T202-S234 WeakPolarHBondContact CG2-O 3.48Å; T202-S234 PolarHBondContact O-N 3.1Å; T202-S234 VanDerWaalsContact O-N 3.09Å; S234-R236 PolarHBondContact O-N 3.48Å
235	Q	52.8	Low	61.8	Low	170 Å²	170	107.6 Å²	107.6	79%	0.794	58%	0.579	S	S	*	*			trans	-54.4	111.4	-179.6	-54.3	-172.7	68.9	0	0	110.3	L233	L233-Q235 PolarHBondContact O-N 3.13Å
236	R	49.5	Very low	60.7	Low	219 Å²	219	102.5 Å²	102.5	83%	0.826	58%	0.579	S	S	*	*	P	Polyproline II helix	trans	-91.9	141.9	148.7	-110.4	-169	-159.8	141.8	6.7	106.5	S234	S234-R236 PolarHBondContact O-N 3.48Å
237	P	41.5	Very low	60	Low	107 Å²	107	105.2 Å²	105.2	70%	0.695	59%	0.588	S	S	*	*	P	Polyproline II helix	trans	-53.9	146.5	174.1	24.4	-32.9	0	0	0	109.7
238	P	50.6	Low	58.5	Low	113 Å²	113	106 Å²	106	73%	0.734	60%	0.604	S	S	*	*	P	Polyproline II helix	trans	-55.3	136.7	-173.6	21.9	-32.4	0	0	0	110.4	E240	P238-E240 PolarHBondContact O-N 2.98Å
239	P	49.5	Very low	56.9	Low	127 Å²	127	107.4 Å²	107.4	83%	0.825	62%	0.622	S	S	*	*	P	Polyproline II helix	trans	-61.4	122.4	166	27	-30.9	0	0	0	107.2
240	E	42.2	Very low	54.7	Low	171 Å²	171	116.5 Å²	116.5	80%	0.799	67%	0.665	S	S	*	*			trans	-44.6	142.2	173	-78.9	167.4	71.6	0	0	110.5	P238 V242	P238-E240 PolarHBondContact O-N 2.98Å; E240-V242 PolarHBondContact O-N 3.42Å
241	P	44.6	Very low	52.8	Low	122 Å²	122	115.8 Å²	115.8	79%	0.792	68%	0.677	S	S	*	*			trans	-60.1	106.6	179.7	25.7	-33.1	0	0	0	108.8	T243	P241-T243 VanDerWaalsContact C-N 3.34Å; P241-T243 PolarHBondContact O-N 3.21Å
242	V	52.2	Low	50.7	Low	143 Å²	143	121.4 Å²	121.4	87%	0.867	72%	0.716	S	S	*	*			trans	-65.8	98.2	170.4	-74.5	0	0	0	0	108.1	E240	E240-V242 PolarHBondContact O-N 3.42Å
243	T	50	Low	48.3	Very low	125 Å²	125	121.2 Å²	121.2	77%	0.767	73%	0.731	S	S	*	*			trans	-51.8	133.4	165.2	-8.5	0	0	0	0	108.4	P241	P241-T243 VanDerWaalsContact C-N 3.34Å; P241-T243 PolarHBondContact O-N 3.21Å
244	P	48.6	Very low	47.6	Very low	112 Å²	112	126.5 Å²	126.5	73%	0.727	77%	0.766	S	S	*	*			trans	-64	139.2	178.8	26.1	-33.1	0	0	0	109.9	G246	P244-G246 PolarHBondContact O-N 3.49Å
245	P	48	Very low	46.1	Very low	136 Å²	136	128.6 Å²	128.6	88%	0.883	79%	0.787	S	S	*	*			trans	-74.5	94.3	-179	29.3	-32.1	0	0	0	109.9
246	G	39.5	Very low	45.4	Very low	63 Å²	63	124.4 Å²	124.4	65%	0.649	78%	0.781	S	S	*	*			trans	-91.6	111.1	157.6	0	0	0	0	0	109.5	P244	P244-G246 PolarHBondContact O-N 3.49Å
247	H	47.4	Very low	45.2	Very low	180 Å²	180	121 Å²	121	83%	0.833	78%	0.784	S	S	*	*			trans	53.6	146.8	150.7	-70	114.8	0	0	0	122
248	T	40.9	Very low	45.1	Very low	128 Å²	128	125.5 Å²	125.5	79%	0.785	80%	0.796	S	S	*	*			trans	77.3	106.9	163.4	54.3	0	0	0	0	116.2
249	A	47.1	Very low	44.7	Very low	93 Å²	93	123.6 Å²	123.6	77%	0.769	80%	0.797	S	S	*	*				67.8	120.8	94.8	0	0	0	0	0	110.2
250	E	38.7	Very low	44.5	Very low	191 Å²	191	124.2 Å²	124.2	89%	0.893	80%	0.798	S	S	*	*				177.9	167	63.5	-169.5	175.3	87.9	0	0	107.9
251	A	47.2	Very low	44.5	Very low	89 Å²	89	121.3 Å²	121.3	74%	0.736	80%	0.797	S	S	*	*			trans	-58.7	158.8	-172.3	0	0	0	0	0	117
252	S	39.9	Very low	44.4	Very low	118 Å²	118	120.2 Å²	120.2	83%	0.825	80%	0.798	S	S	*	*				144.7	122	117.5	-167	0	0	0	0	112.3
253	G	35.5	Very low	44	Very low	63 Å²	63	120 Å²	120	65%	0.649	79%	0.791	S	S	*	*			trans	-78.2	-150.7	163.3	0	0	0	0	0	111.8
254	P	65.8	Low	44.2	Very low	130 Å²	130	119.2 Å²	119.2	84%	0.844	79%	0.788	S	S	*	*			cis	-134.5	-175.8	-46.5	37.4	-21.6	0	0	0	112.7
255	A	35.8	Very low	43.8	Very low	100 Å²	100	121.3 Å²	121.3	83%	0.826	79%	0.789	S	S	*	*			trans	95.6	136.8	152.7	0	0	0	0	0	121
256	A	38.7	Very low	43.8	Very low	83 Å²	83	122.7 Å²	122.7	69%	0.686	78%	0.783	S	S	*	*				142.2	101.9	129.7	0	0	0	0	0	112.4
257	V	45.2	Very low	44.6	Very low	146 Å²	146	124.6 Å²	124.6	89%	0.885	78%	0.784	S	S	*	*				65.3	108.2	108.2	-51.4	0	0	0	0	116
258	E	39.9	Very low	44.7	Very low	202 Å²	202	122.2 Å²	122.2	94%	0.944	78%	0.782	S	S	*	*			trans	-109.5	128.2	166.3	-72.9	-124.3	93.5	0	0	110.3
259	G	42	Very low	45.6	Very low	73 Å²	73	121.6 Å²	121.6	75%	0.753	78%	0.78	S	S	*	*			trans	-99.3	131.5	-177.6	0	0	0	0	0	113.4
260	V	46	Very low	45.5	Very low	140 Å²	140	123.6 Å²	123.6	85%	0.848	78%	0.783	S	S	*	*				33.3	132.7	128.9	153.2	0	0	0	0	121.4
261	S	41	Very low	46.2	Very low	111 Å²	111	124 Å²	124	78%	0.776	79%	0.785	S	S	*	*			trans	116.7	129.9	151.7	-64.8	0	0	0	0	113.6
262	A	43.9	Very low	46.3	Very low	98 Å²	98	130.1 Å²	130.1	81%	0.81	81%	0.805	S	S	*	*			cis	-163.7	155.2	4.9	0	0	0	0	0	110.2
263	L	42.9	Very low	46.7	Very low	138 Å²	138	130.7 Å²	130.7	72%	0.723	80%	0.804	S	S	*	*			trans	-63.1	-179.6	163	-99.4	104.4	0	0	0	112.5	Q265	L263-Q265 HydrophobicContact CD2-CG 3.95Å
264	P	53.6	Low	47.2	Very low	109 Å²	109	134.3 Å²	134.3	71%	0.708	81%	0.812	S	S	*	*			cis	-133.9	153.9	13	15.9	12	0	0	0	116.4
265	Q	41.1	Very low	46.2	Very low	157 Å²	157	134.5 Å²	134.5	73%	0.734	81%	0.81	S	S	*	*				49.8	134.2	102.4	-64.2	-177.3	-18.6	0	0	115.2	L263	L263-Q265 HydrophobicContact CD2-CG 3.95Å
266	E	48.6	Very low	46.8	Very low	164 Å²	164	136.5 Å²	136.5	77%	0.766	81%	0.809	S	S	*	*			cis	-173.3	-160.9	27.7	-139	-170.7	66.8	0	0	107
267	P	55.3	Low	47.3	Very low	103 Å²	103	139.9 Å²	139.9	67%	0.669	82%	0.817	S	S	*	*				-121.8	175.3	-52	25.8	-4.9	0	0	0	113.9
268	T	48.8	Very low	47.5	Very low	130 Å²	130	139.5 Å²	139.5	80%	0.798	81%	0.813	S	S	*	*			trans	-72.8	-160.2	172.9	50.1	0	0	0	0	114.4
269	P	60	Low	48	Very low	115 Å²	115	135 Å²	135	75%	0.747	80%	0.803	S	S	*	*				-123.1	174.9	-76	37.4	-19.8	0	0	0	111.7
270	V	45.4	Very low	48.5	Very low	136 Å²	136	139.8 Å²	139.8	82%	0.824	81%	0.807	S	S	*	*			trans	170.1	126.8	142.9	59.3	0	0	0	0	109.6
271	E	54.1	Low	48.7	Very low	200 Å²	200	139.8 Å²	139.8	94%	0.935	80%	0.804	S	S	*	*			trans	-138.9	143.3	152.1	-159.1	160	81.7	0	0	108.5
272	N	49.8	Very low	49.4	Very low	216 Å²	216	142.4 Å²	142.4	100%	1.155	81%	0.806	S	S	*	*			trans	-110	0	-158.9	169.2	91.8	0	0	0	110.7

Retrieved 272 of 272 residues in 66 ms (Link to these results)

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