A0A096N4Y1_PAPAN Loading...

Ubiquitin domain containing 2

AlphaFold DB (Q8WUN7), UniProt , Accession A0A096N4Y1, Species PAPAN (Papio anubis, Olive baboon), Gene UBTD2, Length 234 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	51.4	Low	42.1	Very low	254 Å²	254	136.3 Å²	136.3	100%	1.251	87%	0.87	S	S	*	*				0	134.8	0	-73.8	-174.7	-134.9	0	0	108
2	G	43.8	Very low	41.6	Very low	87 Å²	87	135.3 Å²	135.3	90%	0.897	87%	0.87	S	S	*	*			trans	118.5	121.2	176.9	0	0	0	0	0	111.1
3	G	39.3	Very low	41.3	Very low	71 Å²	71	130.3 Å²	130.3	73%	0.732	86%	0.859	S	S	*	*			cis	178.4	132.3	-0.4	0	0	0	0	0	107.5
4	C	38.5	Very low	41.1	Very low	138 Å²	138	129.1 Å²	129.1	93%	0.932	85%	0.854	S	S	*	*			trans	-66.7	135	171.5	-76.2	0	0	0	0	109.8
5	V	48	Very low	41.1	Very low	143 Å²	143	132.4 Å²	132.4	87%	0.867	86%	0.859	S	S	*	*			trans	-129	103.7	159.8	-171.8	0	0	0	0	106.8
6	G	38.2	Very low	41	Very low	73 Å²	73	133.2 Å²	133.2	75%	0.753	85%	0.854	S	S	*	*			trans	-75.3	137.6	165.2	0	0	0	0	0	109.6
7	A	50.1	Low	41	Very low	104 Å²	104	135.4 Å²	135.4	86%	0.86	85%	0.851	S	S	*	*			trans	-112.9	106.2	160.4	0	0	0	0	0	106.8
8	Q	38.4	Very low	40.9	Very low	189 Å²	189	135 Å²	135	88%	0.883	84%	0.842	S	S	*	*			trans	-84.5	125.6	161.2	-60.9	171.9	-92.8	0	0	106.3
9	H	44.1	Very low	41	Very low	192 Å²	192	131.9 Å²	131.9	89%	0.889	83%	0.826	S	S	*	*			trans	-151.8	116.9	148.5	-122.9	-144.3	0	0	0	109.9
10	D	33.1	Very low	41	Very low	140 Å²	140	133.7 Å²	133.7	75%	0.749	82%	0.823	S	S	*	*			trans	-51.6	136.4	159.2	-177	-90	0	0	0	110.8
11	S	38	Very low	40.8	Very low	108 Å²	108	130.2 Å²	130.2	76%	0.755	81%	0.814	S	S	*	*			trans	176.6	131.2	136.4	-79.5	0	0	0	0	111.5
12	S	37	Very low	40.5	Very low	125 Å²	125	124.7 Å²	124.7	87%	0.874	80%	0.795	S	S	*	*			trans	-46.8	141.5	175.1	-46	0	0	0	0	114.7
13	G	37.2	Very low	40.2	Very low	70 Å²	70	123.6 Å²	123.6	72%	0.722	78%	0.783	S	S	*	*			trans	-170.6	80.9	173.2	0	0	0	0	0	111.5
14	S	38.4	Very low	40.4	Very low	113 Å²	113	126.4 Å²	126.4	79%	0.79	79%	0.786	S	S	*	*			trans	38.4	103	150.3	-53.6	0	0	0	0	118.1	N16	S14-N16 PolarHBondContact O-N 2.91Å
15	L	41.5	Very low	40.7	Very low	179 Å²	179	123.7 Å²	123.7	94%	0.937	77%	0.774	S	S	*	*			trans	-57.7	91.3	144.7	-71.3	94.7	0	0	0	107.8
16	N	38.6	Very low	40.7	Very low	145 Å²	145	125.2 Å²	125.2	78%	0.775	78%	0.776	S	S	*	*			trans	-162.2	73.9	160	-125.7	30.9	0	0	0	110.7	S14	S14-N16 PolarHBondContact O-N 2.91Å
17	E	41.5	Very low	41.4	Very low	170 Å²	170	125.1 Å²	125.1	79%	0.794	78%	0.775	S	S	*	*			trans	-128	87.7	148.5	-82.7	-167.4	70.4	0	0	107.3	S19	E17-S19 PolarHBondContact O-N 3.09Å; E17-S19 PolarHBondContact OE1-OG 2.9Å; E17-S19 VanDerWaalsContact OE1-OG 3.07Å
18	N	39.3	Very low	41.7	Very low	129 Å²	129	129.7 Å²	129.7	69%	0.69	77%	0.77	S	S	*	*			trans	-64	76.9	147.9	-176.3	39.2	0	0	0	107	E20	N18-E20 PolarHBondContact ND2-OE2 2.73Å; N18-E20 VanDerWaalsContact ND2-OE2 3.14Å
19	S	42.4	Very low	43.1	Very low	77 Å²	77	125.1 Å²	125.1	54%	0.538	75%	0.752	S	S	.	*			trans	-100.7	87.8	169.7	-70.8	0	0	0	0	105.7	E17 G21	E17-S19 PolarHBondContact O-N 3.09Å; E17-S19 PolarHBondContact OE1-OG 2.9Å; E17-S19 VanDerWaalsContact OE1-OG 3.07Å; S19-G21 PolarHBondContact O-N 2.91Å
20	E	40.7	Very low	44.7	Very low	167 Å²	167	119.5 Å²	119.5	78%	0.78	73%	0.726	S	S	*	*			trans	-60	59	157.2	-76.7	167.3	69.8	0	0	109.7	N18	N18-E20 PolarHBondContact ND2-OE2 2.73Å; N18-E20 VanDerWaalsContact ND2-OE2 3.14Å
21	G	37.6	Very low	46.8	Very low	60 Å²	60	116.9 Å²	116.9	62%	0.619	72%	0.716	S	S	*	*			trans	-117.9	76.7	164.6	0	0	0	0	0	105.5	S19 G23	S19-G21 PolarHBondContact O-N 2.91Å; G21-G23 PolarHBondContact O-N 2.95Å
22	T	45.7	Very low	48.7	Very low	139 Å²	139	112.4 Å²	112.4	85%	0.853	68%	0.684	S	S	*	*			trans	-64.2	86.1	172.7	-19.6	0	0	0	0	107	V24	T22-V24 PolarHBondContact O-N 3.22Å
23	G	36.9	Very low	50.5	Low	64 Å²	64	112.3 Å²	112.3	66%	0.66	67%	0.668	S	S	*	*			trans	-50.8	123.3	176.2	0	0	0	0	0	108.7	G21 A25	G21-G23 PolarHBondContact O-N 2.95Å; G23-A25 PolarHBondContact O-N 3.36Å
24	V	42.9	Very low	52.2	Low	129 Å²	129	116.7 Å²	116.7	78%	0.782	67%	0.667	S	S	*	*			trans	-66.7	82.7	178.6	-175.6	0	0	0	0	108	T22 L26	T22-V24 PolarHBondContact O-N 3.22Å; V24-L26 HydrophobicContact CG1-CG 4.37Å; V24-L26 PolarHBondContact O-N 3.11Å; V24-L26 VanDerWaalsContact O-N 3.13Å
25	A	44.4	Very low	53.7	Low	82 Å²	82	118.3 Å²	118.3	68%	0.678	66%	0.662	S	S	*	*			trans	-76.1	95.4	172.2	0	0	0	0	0	108.5	G23 G27	G23-A25 PolarHBondContact O-N 3.36Å; A25-G27 PolarHBondContact O-N 3.34Å
26	L	48.8	Very low	55	Low	174 Å²	174	113.7 Å²	113.7	91%	0.911	63%	0.634	S	S	*	*	T	Hydrogen-bonded Turn	trans	-59.5	37.5	-178.4	-76.7	158	0	0	0	116.1	V24	V24-L26 HydrophobicContact CG1-CG 4.37Å; V24-L26 PolarHBondContact O-N 3.11Å; V24-L26 VanDerWaalsContact O-N 3.13Å
27	G	52.7	Low	56.4	Low	71 Å²	71	108.7 Å²	108.7	73%	0.732	61%	0.61	S	S	*	*	T	Hydrogen-bonded Turn	trans	-154.8	8.8	-174.7	0	0	0	0	0	117.4	A25	A25-G27 PolarHBondContact O-N 3.34Å
28	R	57.1	Low	57.8	Low	201 Å²	201	109.2 Å²	109.2	76%	0.758	61%	0.61	S	S	*	*			trans	-120.3	92.1	174.9	-71.6	-177.4	176.9	153.7	-0.8	109.8	Q30	R28-Q30 PolarHBondContact O-N 2.91Å
29	N	67.9	Low	59.3	Low	93 Å²	93	104.9 Å²	104.9	50%	0.497	58%	0.584	S	S	.	*	P	Polyproline II helix	trans	-46	122	144.2	162.9	-77.2	0	0	0	106.7	T99	N29-T99 HydrophobicContact CB-CG2 3.79Å
30	Q	77.3	Confident	60.5	Low	73 Å²	73	108.9 Å²	108.9	34%	0.341	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-100.5	138.1	172.5	-74.6	-174.7	88.2	0	0	108.5	R28 L100 P101	R28-Q30 PolarHBondContact O-N 2.91Å; Q30-L100 PolarHBondContact N-O 2.81Å; Q30-P101 PolarHBondContact NE2-O 2.98Å
31	P	77.4	Confident	61.3	Low	85 Å²	85	101.2 Å²	101.2	55%	0.552	56%	0.556	S	S	*	*	P	Polyproline II helix	trans	-58.8	151.8	172.5	25.7	-33.6	0	0	0	110.4	K33 Q90	P31-K33 PolarHBondContact O-N 3.38Å; P31-K33 VanDerWaalsContact O-N 3.14Å; P31-Q90 VanDerWaalsContact CB-OE1 3.23Å
32	L	76.6	Confident	62.5	Low	14 Å²	14	105.4 Å²	105.4	7%	0.073	56%	0.564	C	S	.	*	P	Polyproline II helix	trans	-57.7	119.5	-178.5	179.8	63.6	0	0	0	110.1	K34 F81 A89 L100 L105	L32-K34 PolarHBondContact O-N 3.11Å; L32-F81 HydrophobicContact CD1-CD2 4.45Å; L32-F81 HydrophobicContact CD1-CE2 4.37Å; L32-F81 HydrophobicContact CD2-CD2 3.71Å; L32-F81 HydrophobicContact CD2-CE2 4.22Å; L32-F81 HydrophobicContact CG-CD2 4.14Å; L32-F81 HydrophobicContact CG-CE2 4.14Å; L32-A89 HydrophobicContact CD2-CB 3.51Å; L32-L100 HydrophobicContact CB-CD1 3.91Å; L32-L100 HydrophobicContact CD1-CD1 3.79Å; L32-L100 HydrophobicContact CG-CD1 4.46Å; L32-L105 HydrophobicContact CD1-CB 4.06Å; L32-L105 HydrophobicContact CD1-CD1 3.7Å; L32-L105 HydrophobicContact CD2-CD1 4.04Å
33	K	76.6	Confident	63.4	Low	124 Å²	124	107.2 Å²	107.2	54%	0.539	56%	0.557	S	S	.	*	P	Polyproline II helix	trans	-69.5	119.2	175.7	-72.1	-145.2	161	-178	0	109.4	P31 E35 F81 G103	P31-K33 PolarHBondContact O-N 3.38Å; P31-K33 VanDerWaalsContact O-N 3.14Å; K33-E35 PolarHBondContact O-N 3.39Å; K33-F81 WeakPolarHBondContact O-CE2 3.4Å; K33-F81 WeakPolarHBondContact O-CZ 3.4Å; K33-G103 WeakPolarHBondContact CB-O 3.37Å; K33-G103 PolarHBondContact N-O 3.42Å
34	K	72.6	Confident	64.5	Low	161 Å²	161	107.1 Å²	107.1	70%	0.7	54%	0.544	S	S	*	.			trans	-60.2	-5	171.9	56.2	-178.3	159.6	-169.3	0	115.6	L32 H86	L32-K34 PolarHBondContact O-N 3.11Å; K34-H86 VanDerWaalsContact CA-CD2 3.46Å; K34-H86 WeakPolarHBondContact CA-CD2 3.16Å; K34-H86 WeakPolarHBondContact CA-NE2 3.08Å; K34-H86 WeakPolarHBondContact CB-NE2 3.22Å
35	E	69.3	Low	65.6	Low	148 Å²	148	102.7 Å²	102.7	69%	0.692	52%	0.515	S	S	*	.	S	Bend	trans	-85.2	116.4	-178.5	-163.1	173.9	107.3	0	0	110	K33	K33-E35 PolarHBondContact O-N 3.39Å
36	K	69.5	Low	66.9	Low	81 Å²	81	100 Å²	100	35%	0.352	49%	0.491	S	S	.	.	P	Polyproline II helix	trans	-63.2	129.4	176.7	-64.8	-178.4	179.6	179.1	0	109.2	K38 F81 N84 A124	K36-K38 PolarHBondContact O-N 2.89Å; K36-K38 VanDerWaalsContact O-N 3.15Å; K36-F81 HydrophobicContact CB-CE1 4.5Å; K36-F81 HydrophobicContact CG-CE1 3.96Å; K36-F81 HydrophobicContact CG-CZ 4.42Å; K36-N84 PolarHBondContact NZ-OD1 3.26Å; K36-A124 HydrophobicContact CB-CB 4.15Å
37	P	67.9	Low	68	Low	41 Å²	41	95.2 Å²	95.2	27%	0.266	47%	0.466	S	S	.	.	P	Polyproline II helix	trans	-59.5	122.2	177.8	21.6	-30.7	0	0	0	109.9	W39 V120 L123 A124	P37-W39 PolarHBondContact O-N 2.72Å; P37-V120 HydrophobicContact CB-CG1 4.25Å; P37-V120 HydrophobicContact CG-CG1 4.47Å; P37-L123 HydrophobicContact CG-CB 4.39Å; P37-A124 HydrophobicContact CG-CB 3.93Å
38	K	69.5	Low	68.9	Low	181 Å²	181	93.7 Å²	93.7	79%	0.787	45%	0.451	S	S	*	.			trans	-84.4	98.1	175.4	-65	-178.9	-175.5	177.6	0	108.9	K36 I127	K36-K38 PolarHBondContact O-N 2.89Å; K36-K38 VanDerWaalsContact O-N 3.15Å; K38-I127 HydrophobicContact CB-CG2 4.46Å
39	W	71.9	Confident	69.7	Low	38 Å²	38	89.9 Å²	89.9	14%	0.144	44%	0.441	C	S	.	.			trans	-119.6	154.6	177	69.6	-78.1	0	0	0	110.6	P37 L50 V120 A124 P126 I127	P37-W39 PolarHBondContact O-N 2.72Å; W39-L50 HydrophobicContact CH2-CD1 4.1Å; W39-L50 HydrophobicContact CZ2-CD1 3.95Å; W39-V120 HydrophobicContact CB-CB 4.28Å; W39-V120 HydrophobicContact CB-CG2 3.81Å; W39-V120 HydrophobicContact CD2-CB 4.25Å; W39-V120 HydrophobicContact CD2-CG2 3.48Å; W39-V120 VanDerWaalsContact CD2-CG2 3.48Å; W39-V120 HydrophobicContact CE3-CG2 3.89Å; W39-V120 HydrophobicContact CG-CB 3.84Å; W39-V120 HydrophobicContact CG-CG2 3.42Å; W39-V120 VanDerWaalsContact CG-CG2 3.42Å; W39-V120 PolarHBondContact NE1-O 2.76Å; W39-A124 PolarHBondContact NE1-O 3.06Å; W39-P126 HydrophobicContact CD2-CB 3.95Å; W39-P126 HydrophobicContact CE3-CB 4.01Å; W39-P126 HydrophobicContact CH2-CB 3.62Å; W39-P126 HydrophobicContact CH2-CG 3.72Å; W39-P126 HydrophobicContact CZ2-CB 3.57Å; W39-P126 HydrophobicContact CZ2-CG 3.71Å; W39-P126 HydrophobicContact CZ3-CB 3.86Å; W39-P126 HydrophobicContact CZ3-CG 4.4Å; W39-P126 CarbonylContact O-C 3.57Å; W39-P126 VanDerWaalsContact O-CA 3.22Å; W39-P126 WeakPolarHBondContact O-CA 3.24Å; W39-I127 WeakPolarHBondContact O-CG1 3.43Å; W39-I127 PolarHBondContact O-N 3.14Å
40	K	66.3	Low	70.1	Confident	161 Å²	161	86 Å²	86	70%	0.7	42%	0.421	S	S	*	.			trans	-111.1	136.8	171.4	56.9	-177.5	-179.2	176.4	0	108.6	I127 N128	K40-I127 HydrophobicContact CB-CD1 3.98Å; K40-I127 HydrophobicContact CB-CG1 3.7Å; K40-N128 HydrophobicContact CB-CB 4.39Å
41	S	59.5	Low	70	Confident	6 Å²	6	89.1 Å²	89.1	4%	0.042	43%	0.429	C	S	.	.			trans	-75.5	142.2	168.7	58.7	0	0	0	0	109.8	Y43	S41-Y43 VanDerWaalsContact C-N 3.3Å; S41-Y43 WeakPolarHBondContact CB-O 3.06Å; S41-Y43 PolarHBondContact OG-O 3.18Å
42	D	61.5	Low	70.1	Confident	148 Å²	148	88.5 Å²	88.5	79%	0.791	43%	0.427	S	S	*	.	S	Bend	trans	-62.8	-40.9	178.2	-160.4	-108.5	0	0	0	111
43	Y	65	Low	70.1	Confident	177 Å²	177	92 Å²	92	69%	0.694	44%	0.442	S	S	*	.	S	Bend	trans	-105	126.6	167.1	-66	-87.5	0	0	0	109.3	S41 M45	S41-Y43 VanDerWaalsContact C-N 3.3Å; S41-Y43 WeakPolarHBondContact CB-O 3.06Å; S41-Y43 PolarHBondContact OG-O 3.18Å; Y43-M45 PolarHBondContact O-N 3.31Å
44	P	59	Low	70.3	Confident	61 Å²	61	89.2 Å²	89.2	40%	0.396	43%	0.428	S	S	.	.			trans	-61.7	124.4	173.8	30.2	-35.4	0	0	0	108	N128 I130	P44-N128 WeakPolarHBondContact CA-O 3.45Å; P44-I130 HydrophobicContact CB-CD1 3.65Å; P44-I130 HydrophobicContact CB-CG1 3.49Å; P44-I130 VanDerWaalsContact CB-CG1 3.49Å; P44-I130 HydrophobicContact CG-CD1 3.89Å; P44-I130 HydrophobicContact CG-CG1 4.28Å; P44-I130 VanDerWaalsContact O-CD1 3.32Å; P44-I130 WeakPolarHBondContact O-CD1 3.43Å
45	M	66.3	Low	70.7	Confident	36 Å²	36	86.8 Å²	86.8	18%	0.177	42%	0.423	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	159.4	-174.9	67	-176.1	61.2	0	0	110.6	Y43 Q49 L50 I130	Y43-M45 PolarHBondContact O-N 3.31Å; M45-Q49 HydrophobicContact CB-CB 4.16Å; M45-L50 HydrophobicContact SD-CB 4.46Å; M45-L50 HydrophobicContact SD-CD1 4.18Å; M45-I130 PolarHBondContact O-N 3.11Å
46	T	72.7	Confident	71.3	Confident	27 Å²	27	86.3 Å²	86.3	17%	0.166	42%	0.42	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	162.7	-177.5	75.8	0	0	0	0	112.4	G48 Q49 L50 I130 E132	T46-G48 VanDerWaalsContact C-N 3.27Å; T46-G48 PolarHBondContact O-N 2.95Å; T46-Q49 PolarHBondContact O-N 2.96Å; T46-Q49 VanDerWaalsContact O-N 3.15Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.26Å; T46-Q49 PolarHBondContact OG1-N 3.14Å; T46-Q49 VanDerWaalsContact OG1-N 3.1Å; T46-L50 PolarHBondContact O-N 3.28Å; T46-I130 WeakPolarHBondContact CA-O 3.3Å; T46-E132 HydrophobicContact CG2-CB 3.49Å; T46-E132 VanDerWaalsContact CG2-CB 3.49Å; T46-E132 HydrophobicContact CG2-CG 4.11Å; T46-E132 WeakPolarHBondContact CG2-OE2 3.49Å
47	D	71.5	Confident	71.9	Confident	72 Å²	72	83.4 Å²	83.4	39%	0.385	41%	0.408	S	S	.	.	H	α-helix	trans	-56.4	-39.5	171.9	-179.2	-112	0	0	0	113.2	L50 R51 M129	D47-L50 PolarHBondContact O-N 2.85Å; D47-R51 WeakPolarHBondContact O-CB 3.46Å; D47-R51 VanDerWaalsContact O-CG 3.3Å; D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 PolarHBondContact O-N 3.3Å; D47-R51 IonicContact OD1-CZ 3.74Å; D47-R51 IonicContact OD1-NE 3.84Å; D47-R51 PolarHBondContact OD1-NE 2.85Å; D47-R51 IonicContact OD1-NH1 2.78Å; D47-R51 IonicContact OD1-NH2 2.98Å; D47-R51 PolarHBondContact OD1-NH2 2.79Å; D47-R51 IonicContact OD2-CZ 3.37Å; D47-R51 IonicContact OD2-NE 2.69Å; D47-R51 PolarHBondContact OD2-NE 3.04Å; D47-R51 IonicContact OD2-NH2 2.91Å; D47-M129 HydrophobicContact CB-CE 3.66Å; D47-M129 VanDerWaalsContact N-CE 3.31Å
48	G	71	Confident	72.5	Confident	40 Å²	40	82.6 Å²	82.6	41%	0.412	40%	0.399	S	S	.	.	H	α-helix	trans	-60.8	-50	171.9	0	0	0	0	0	112.2	T46 L50 R51 S52	T46-G48 VanDerWaalsContact C-N 3.27Å; T46-G48 PolarHBondContact O-N 2.95Å; G48-L50 PolarHBondContact O-N 2.84Å; G48-R51 PolarHBondContact O-N 3.28Å; G48-S52 PolarHBondContact O-N 2.9Å; G48-S52 PolarHBondContact O-OG 3.46Å; G48-S52 VanDerWaalsContact O-OG 3.11Å
49	Q	75	Confident	73	Confident	120 Å²	120	80 Å²	80	56%	0.561	39%	0.394	S	S	*	.	H	α-helix	trans	-61.5	-41.8	179.5	-74.5	-73.9	-78.3	0	0	112.5	M45 T46 S52 K53	M45-Q49 HydrophobicContact CB-CB 4.16Å; T46-Q49 PolarHBondContact O-N 2.96Å; T46-Q49 VanDerWaalsContact O-N 3.15Å; T46-Q49 WeakPolarHBondContact OG1-CG 3.26Å; T46-Q49 PolarHBondContact OG1-N 3.14Å; T46-Q49 VanDerWaalsContact OG1-N 3.1Å; Q49-S52 PolarHBondContact O-N 3.37Å; Q49-K53 WeakPolarHBondContact O-CB 3.13Å; Q49-K53 PolarHBondContact O-N 3.17Å
50	L	75.9	Confident	73.3	Confident	12 Å²	12	81.2 Å²	81.2	6%	0.063	41%	0.406	C	S	.	.	H	α-helix	trans	-61.4	-47	175.2	-177.9	72.2	0	0	0	111	W39 M45 T46 D47 G48 K53 R54 P125 M129	W39-L50 HydrophobicContact CH2-CD1 4.1Å; W39-L50 HydrophobicContact CZ2-CD1 3.95Å; M45-L50 HydrophobicContact SD-CB 4.46Å; M45-L50 HydrophobicContact SD-CD1 4.18Å; T46-L50 PolarHBondContact O-N 3.28Å; D47-L50 PolarHBondContact O-N 2.85Å; G48-L50 PolarHBondContact O-N 2.84Å; L50-K53 PolarHBondContact O-N 3.34Å; L50-R54 WeakPolarHBondContact O-CB 3.24Å; L50-R54 PolarHBondContact O-N 2.86Å; L50-P125 HydrophobicContact CD2-CB 4.03Å; L50-M129 HydrophobicContact CB-CE 3.7Å; L50-M129 HydrophobicContact CD2-CE 3.62Å; L50-M129 HydrophobicContact CD2-SD 4.25Å; L50-M129 HydrophobicContact CG-CE 4.29Å
51	R	75	Confident	73.6	Confident	139 Å²	139	73.6 Å²	73.6	53%	0.525	37%	0.373	S	S	.	.	H	α-helix	trans	-61.7	-44.5	177.7	-74.8	178.3	-165.4	-176.3	7.9	111.9	D47 G48 K53 R54 D55	D47-R51 WeakPolarHBondContact O-CB 3.46Å; D47-R51 VanDerWaalsContact O-CG 3.3Å; D47-R51 WeakPolarHBondContact O-CG 3.49Å; D47-R51 PolarHBondContact O-N 3.3Å; D47-R51 IonicContact OD1-CZ 3.74Å; D47-R51 IonicContact OD1-NE 3.84Å; D47-R51 PolarHBondContact OD1-NE 2.85Å; D47-R51 IonicContact OD1-NH1 2.78Å; D47-R51 IonicContact OD1-NH2 2.98Å; D47-R51 PolarHBondContact OD1-NH2 2.79Å; D47-R51 IonicContact OD2-CZ 3.37Å; D47-R51 IonicContact OD2-NE 2.69Å; D47-R51 PolarHBondContact OD2-NE 3.04Å; D47-R51 IonicContact OD2-NH2 2.91Å; G48-R51 PolarHBondContact O-N 3.28Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.34Å; R51-R54 PolarHBondContact O-N 2.97Å; R51-D55 WeakPolarHBondContact O-CB 3.45Å; R51-D55 PolarHBondContact O-N 3.23Å
52	S	78.7	Confident	74	Confident	72 Å²	72	76.2 Å²	76.2	50%	0.503	39%	0.39	S	S	.	.	H	α-helix	trans	-59.9	-43.7	175.5	-62.8	0	0	0	0	111.5	G48 Q49 D55 E56	G48-S52 PolarHBondContact O-N 2.9Å; G48-S52 PolarHBondContact O-OG 3.46Å; G48-S52 VanDerWaalsContact O-OG 3.11Å; Q49-S52 PolarHBondContact O-N 3.37Å; S52-D55 PolarHBondContact O-N 3.29Å; S52-E56 WeakPolarHBondContact O-CB 3.31Å; S52-E56 PolarHBondContact O-N 2.92Å
53	K	77.3	Confident	74.4	Confident	88 Å²	88	73.5 Å²	73.5	38%	0.383	39%	0.388	S	S	.	.	H	α-helix	trans	-67.2	-37.1	177.4	-170.2	172.1	-173.3	165.4	0	112.7	Q49 L50 R51 F57 Y121	Q49-K53 WeakPolarHBondContact O-CB 3.13Å; Q49-K53 PolarHBondContact O-N 3.17Å; L50-K53 PolarHBondContact O-N 3.34Å; R51-K53 VanDerWaalsContact C-N 3.33Å; R51-K53 PolarHBondContact O-N 3.34Å; K53-F57 WeakPolarHBondContact O-CB 3.43Å; K53-F57 PolarHBondContact O-N 3.29Å; K53-Y121 HydrophobicContact CD-CE2 4.48Å; K53-Y121 HydrophobicContact CG-CD2 4.4Å; K53-Y121 HydrophobicContact CG-CE2 4.02Å
54	R	81.9	Confident	74.7	Confident	65 Å²	65	71.2 Å²	71.2	25%	0.245	38%	0.381	C	S	.	.	H	α-helix	trans	-64.4	-44.3	174.1	-179.4	-176.7	72.4	178.1	2.4	110.4	L50 R51 F57 W58 E82 C122	L50-R54 WeakPolarHBondContact O-CB 3.24Å; L50-R54 PolarHBondContact O-N 2.86Å; R51-R54 PolarHBondContact O-N 2.97Å; R54-F57 PolarHBondContact O-N 2.93Å; R54-W58 PolarHBondContact O-N 2.92Å; R54-E82 IonicContact CZ-OE2 3.53Å; R54-E82 IonicContact NH1-OE1 3.52Å; R54-E82 PolarHBondContact NH1-OE1 3.21Å; R54-E82 IonicContact NH1-OE2 3.73Å; R54-E82 PolarHBondContact NH1-OE2 3.02Å; R54-C122 HydrophobicContact CG-CB 4.43Å
55	D	80	Confident	75.3	Confident	110 Å²	110	76.8 Å²	76.8	59%	0.588	40%	0.402	S	S	*	.	H	α-helix	trans	-65.1	-46.1	179	-161.3	-118	0	0	0	111.4	R51 S52 F57 W58 D59	R51-D55 WeakPolarHBondContact O-CB 3.45Å; R51-D55 PolarHBondContact O-N 3.23Å; S52-D55 PolarHBondContact O-N 3.29Å; D55-F57 VanDerWaalsContact C-N 3.28Å; D55-F57 PolarHBondContact O-N 3.15Å; D55-W58 PolarHBondContact O-N 2.75Å; D55-D59 WeakPolarHBondContact O-CB 3.01Å; D55-D59 PolarHBondContact O-N 2.83Å
56	E	81.5	Confident	75.8	Confident	138 Å²	138	76.8 Å²	76.8	65%	0.645	41%	0.412	S	S	*	.	H	α-helix	trans	-59.5	-38.5	173.9	-173.6	173.4	78.3	0	0	112	S52 T60	S52-E56 WeakPolarHBondContact O-CB 3.31Å; S52-E56 PolarHBondContact O-N 2.92Å; E56-T60 WeakPolarHBondContact O-CG2 3.47Å; E56-T60 PolarHBondContact O-N 3.19Å; E56-T60 VanDerWaalsContact O-N 3.08Å; E56-T60 PolarHBondContact O-OG1 2.77Å
57	F	82.5	Confident	76.3	Confident	20 Å²	20	80.2 Å²	80.2	9%	0.088	42%	0.422	C	S	.	.	H	α-helix	trans	-65.3	-44.3	172.8	-178.8	-93.3	0	0	0	112	K53 R54 D55 D59 T60 A61 W71 P119 Y121 C122	K53-F57 WeakPolarHBondContact O-CB 3.43Å; K53-F57 PolarHBondContact O-N 3.29Å; R54-F57 PolarHBondContact O-N 2.93Å; D55-F57 VanDerWaalsContact C-N 3.28Å; D55-F57 PolarHBondContact O-N 3.15Å; F57-D59 VanDerWaalsContact C-N 3.32Å; F57-D59 PolarHBondContact O-N 2.73Å; F57-T60 CarbonylContact O-C 3.58Å; F57-T60 PolarHBondContact O-N 2.82Å; F57-T60 PolarHBondContact O-OG1 2.79Å; F57-A61 HydrophobicContact CE1-CB 4.38Å; F57-A61 WeakPolarHBondContact O-CA 3.4Å; F57-A61 WeakPolarHBondContact O-CB 3.24Å; F57-A61 PolarHBondContact O-N 3.29Å; F57-W71 HydrophobicContact CE1-CZ3 4.15Å; F57-W71 HydrophobicContact CZ-CH2 4.21Å; F57-W71 HydrophobicContact CZ-CZ3 4.3Å; F57-P119 HydrophobicContact CD2-CG 3.96Å; F57-P119 HydrophobicContact CE2-CG 3.61Å; F57-P119 HydrophobicContact CZ-CG 3.92Å; F57-Y121 HydrophobicContact CB-CE2 4.02Å; F57-Y121 WeakPolarHBondContact CD2-OH 3.41Å; F57-Y121 HydrophobicContact CG-CE2 4.31Å; F57-C122 WeakPolarHBondContact CD1-SG 3.09Å
58	W	80.6	Confident	76.9	Confident	24 Å²	24	84.2 Å²	84.2	9%	0.091	44%	0.436	C	S	.	.	H	α-helix	trans	-70.5	-26.7	179.1	-73.7	117.6	0	0	0	113.6	R54 D55 A61 P62 W71 L74 K75 A78 L118 C122	R54-W58 PolarHBondContact O-N 2.92Å; D55-W58 PolarHBondContact O-N 2.75Å; W58-A61 HydrophobicContact CE3-CB 4.17Å; W58-P62 VanDerWaalsContact O-CD 3.23Å; W58-P62 WeakPolarHBondContact O-CD 3.35Å; W58-W71 HydrophobicContact CZ3-CE3 4.02Å; W58-W71 HydrophobicContact CZ3-CZ3 4.4Å; W58-L74 HydrophobicContact CH2-CB 4.42Å; W58-K75 HydrophobicContact CD2-CB 4.36Å; W58-K75 HydrophobicContact CD2-CD 4.09Å; W58-K75 HydrophobicContact CD2-CG 3.91Å; W58-K75 HydrophobicContact CE3-CB 3.84Å; W58-K75 HydrophobicContact CE3-CD 3.98Å; W58-K75 HydrophobicContact CE3-CG 3.85Å; W58-K75 HydrophobicContact CG-CD 4.36Å; W58-K75 HydrophobicContact CH2-CB 3.75Å; W58-K75 HydrophobicContact CH2-CG 4.19Å; W58-K75 HydrophobicContact CZ2-CB 4.27Å; W58-K75 HydrophobicContact CZ2-CG 4.24Å; W58-K75 HydrophobicContact CZ3-CB 3.5Å; W58-K75 VanDerWaalsContact CZ3-CB 3.5Å; W58-K75 HydrophobicContact CZ3-CG 3.99Å; W58-A78 HydrophobicContact CH2-CB 4.46Å; W58-A78 HydrophobicContact CZ2-CB 3.98Å; W58-L118 HydrophobicContact CH2-CD2 3.53Å; W58-L118 HydrophobicContact CZ2-CD2 4.03Å; W58-L118 HydrophobicContact CZ3-CD2 4.38Å; W58-C122 HydrophobicContact CZ2-CB 4.42Å
59	D	79.4	Confident	77.7	Confident	127 Å²	127	89 Å²	89	68%	0.679	45%	0.448	S	S	*	.	H	α-helix	trans	-71.1	-38.1	173	-168.7	-105.7	0	0	0	111.5	D55 F57 P62	D55-D59 WeakPolarHBondContact O-CB 3.01Å; D55-D59 PolarHBondContact O-N 2.83Å; F57-D59 VanDerWaalsContact C-N 3.32Å; F57-D59 PolarHBondContact O-N 2.73Å; D59-P62 WeakPolarHBondContact O-CD 3.33Å; D59-P62 WeakPolarHBondContact O-CG 3.07Å
60	T	79.4	Confident	78.4	Confident	63 Å²	63	83.8 Å²	83.8	39%	0.387	42%	0.423	S	S	.	.	H	α-helix	trans	-86.5	-19.8	177	55.9	0	0	0	0	114.2	E56 F57 A63	E56-T60 WeakPolarHBondContact O-CG2 3.47Å; E56-T60 PolarHBondContact O-N 3.19Å; E56-T60 VanDerWaalsContact O-N 3.08Å; E56-T60 PolarHBondContact O-OG1 2.77Å; F57-T60 CarbonylContact O-C 3.58Å; F57-T60 PolarHBondContact O-N 2.82Å; F57-T60 PolarHBondContact O-OG1 2.79Å; T60-A63 WeakPolarHBondContact O-CA 3.2Å; T60-A63 WeakPolarHBondContact O-CB 3.46Å; T60-A63 PolarHBondContact O-N 2.79Å
61	A	72.4	Confident	79	Confident	1 Å²	1	84 Å²	84	1%	0.008	42%	0.423	C	S	.	.	G	3₁₀ helix	trans	-50.8	-45.2	177.4	0	0	0	0	0	114.3	F57 W58 A63 F64 W71	F57-A61 HydrophobicContact CE1-CB 4.38Å; F57-A61 WeakPolarHBondContact O-CA 3.4Å; F57-A61 WeakPolarHBondContact O-CB 3.24Å; F57-A61 PolarHBondContact O-N 3.29Å; W58-A61 HydrophobicContact CE3-CB 4.17Å; A61-A63 PolarHBondContact O-N 2.77Å; A61-A63 VanDerWaalsContact O-N 3.08Å; A61-F64 WeakPolarHBondContact O-CB 3.29Å; A61-F64 PolarHBondContact O-N 2.82Å; A61-W71 HydrophobicContact CB-CD2 4.08Å; A61-W71 HydrophobicContact CB-CE3 3.76Å; A61-W71 HydrophobicContact CB-CH2 4.32Å; A61-W71 HydrophobicContact CB-CZ3 3.88Å; A61-W71 PolarHBondContact O-NE1 2.94Å
62	P	67.6	Low	79.7	Confident	61 Å²	61	82.7 Å²	82.7	40%	0.396	43%	0.427	S	S	.	.	G	3₁₀ helix	trans	-65.7	-8.8	176.1	25.4	-35.2	0	0	0	114.3	W58 D59	W58-P62 VanDerWaalsContact O-CD 3.23Å; W58-P62 WeakPolarHBondContact O-CD 3.35Å; D59-P62 WeakPolarHBondContact O-CD 3.33Å; D59-P62 WeakPolarHBondContact O-CG 3.07Å
63	A	70.7	Confident	80.3	Confident	91 Å²	91	79.8 Å²	79.8	75%	0.752	41%	0.407	S	S	*	.	G	3₁₀ helix	trans	-87.6	-13.1	170.9	0	0	0	0	0	113.2	T60 A61	T60-A63 WeakPolarHBondContact O-CA 3.2Å; T60-A63 WeakPolarHBondContact O-CB 3.46Å; T60-A63 PolarHBondContact O-N 2.79Å; A61-A63 PolarHBondContact O-N 2.77Å; A61-A63 VanDerWaalsContact O-N 3.08Å
64	F	69.7	Low	80.9	Confident	128 Å²	128	75.6 Å²	75.6	56%	0.561	39%	0.389	S	S	*	.	S	Bend	trans	-76	151.7	172.8	-91.6	-96.2	0	0	0	111.6	A61 G66 W71	A61-F64 WeakPolarHBondContact O-CB 3.29Å; A61-F64 PolarHBondContact O-N 2.82Å; F64-G66 PolarHBondContact O-N 3.3Å; F64-W71 HydrophobicContact CB-CZ2 3.66Å; F64-W71 HydrophobicContact CG-CZ2 4.48Å
65	E	72.9	Confident	81.2	Confident	178 Å²	178	77.1 Å²	77.1	83%	0.832	40%	0.397	S	S	*	.	S	Bend	trans	-53.5	126.1	179	-151.3	169.2	99.4	0	0	111
66	G	77.1	Confident	81.7	Confident	37 Å²	37	73.9 Å²	73.9	38%	0.381	39%	0.386	S	S	.	.	S	Bend	trans	139.1	175.2	-179.4	0	0	0	0	0	114.7	F64 Y116	F64-G66 PolarHBondContact O-N 3.3Å; G66-Y116 WeakPolarHBondContact CA-OH 3.48Å
67	R	82.1	Confident	82.2	Confident	99 Å²	99	67.3 Å²	67.3	37%	0.374	36%	0.355	S	S	.	.			trans	-78.6	138	174.4	-65	-175.3	179.2	-177.9	4.4	111.8	E69 I70 W71 Y116	R67-E69 PolarHBondContact O-N 3.1Å; R67-I70 HydrophobicContact CB-CG1 4.05Å; R67-I70 PolarHBondContact O-N 3.41Å; R67-W71 PolarHBondContact O-N 3.09Å; R67-Y116 PolarHBondContact N-OH 2.87Å
68	K	84.9	Confident	82.4	Confident	155 Å²	155	66.4 Å²	66.4	67%	0.674	35%	0.351	S	S	*	.	H	α-helix	trans	-61	-32.4	174.6	-67	-168.9	178	-166.6	0	112.8	I70 W71 D72	K68-I70 VanDerWaalsContact C-N 3.32Å; K68-I70 PolarHBondContact O-N 3.06Å; K68-W71 PolarHBondContact O-N 3.47Å; K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 3.11Å
69	E	87.3	Confident	82.7	Confident	142 Å²	142	71.2 Å²	71.2	66%	0.664	38%	0.375	S	S	*	.	H	α-helix	trans	-61.9	-40.3	177.3	-64.8	165.7	104.1	0	0	111.8	R67 D72 A73	R67-E69 PolarHBondContact O-N 3.1Å; E69-D72 PolarHBondContact O-N 3.03Å; E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.29Å
70	I	89.7	Confident	83.2	Confident	9 Å²	9	65.4 Å²	65.4	5%	0.046	34%	0.344	C	S	.	.	H	α-helix	trans	-70.1	-40.1	177	-58.6	-59.5	0	0	0	110.7	R67 K68 D72 A73 L74 A96 I98 D110 Y116	R67-I70 HydrophobicContact CB-CG1 4.05Å; R67-I70 PolarHBondContact O-N 3.41Å; K68-I70 VanDerWaalsContact C-N 3.32Å; K68-I70 PolarHBondContact O-N 3.06Å; I70-D72 PolarHBondContact O-N 3.13Å; I70-A73 PolarHBondContact O-N 2.83Å; I70-L74 HydrophobicContact CG2-CD1 3.78Å; I70-L74 HydrophobicContact CG2-CG 4.29Å; I70-L74 WeakPolarHBondContact O-CB 3.42Å; I70-L74 WeakPolarHBondContact O-CD1 3.45Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 2.99Å; I70-A96 HydrophobicContact CD1-CB 4.29Å; I70-A96 WeakPolarHBondContact CD1-O 3.32Å; I70-I98 HydrophobicContact CD1-CD1 4.37Å; I70-I98 HydrophobicContact CD1-CG1 4.04Å; I70-I98 HydrophobicContact CG2-CD1 3.88Å; I70-I98 HydrophobicContact CG2-CG1 4.06Å; I70-D110 WeakPolarHBondContact CD1-OD2 2.86Å; I70-D110 HydrophobicContact CG1-CB 4.31Å; I70-D110 WeakPolarHBondContact CG1-OD2 3.28Å; I70-Y116 HydrophobicContact CB-CE1 3.96Å; I70-Y116 HydrophobicContact CB-CE2 4.33Å; I70-Y116 WeakPolarHBondContact CB-OH 3.47Å; I70-Y116 HydrophobicContact CG2-CD1 4.01Å; I70-Y116 HydrophobicContact CG2-CD2 3.97Å; I70-Y116 HydrophobicContact CG2-CE1 3.6Å; I70-Y116 HydrophobicContact CG2-CE2 3.62Å; I70-Y116 HydrophobicContact CG2-CG 4.16Å
71	W	89.4	Confident	83.5	Confident	16 Å²	16	62.7 Å²	62.7	6%	0.061	33%	0.327	C	S	.	.	H	α-helix	trans	-62.3	-41	173.9	-80	115.2	0	0	0	112.7	F57 W58 A61 F64 R67 K68 L74 K75 Y116 L118	F57-W71 HydrophobicContact CE1-CZ3 4.15Å; F57-W71 HydrophobicContact CZ-CH2 4.21Å; F57-W71 HydrophobicContact CZ-CZ3 4.3Å; W58-W71 HydrophobicContact CZ3-CE3 4.02Å; W58-W71 HydrophobicContact CZ3-CZ3 4.4Å; A61-W71 HydrophobicContact CB-CD2 4.08Å; A61-W71 HydrophobicContact CB-CE3 3.76Å; A61-W71 HydrophobicContact CB-CH2 4.32Å; A61-W71 HydrophobicContact CB-CZ3 3.88Å; A61-W71 PolarHBondContact O-NE1 2.94Å; F64-W71 HydrophobicContact CB-CZ2 3.66Å; F64-W71 HydrophobicContact CG-CZ2 4.48Å; R67-W71 PolarHBondContact O-N 3.09Å; K68-W71 PolarHBondContact O-N 3.47Å; W71-L74 HydrophobicContact CE3-CD1 4.43Å; W71-L74 PolarHBondContact O-N 3.08Å; W71-K75 WeakPolarHBondContact O-CB 3.32Å; W71-K75 PolarHBondContact O-N 2.8Å; W71-Y116 AromaticContact CD1-CE1 3.96Å; W71-Y116 HydrophobicContact CD2-CD1 4.18Å; W71-Y116 HydrophobicContact CD2-CE1 4.36Å; W71-Y116 AromaticContact CE2-CD1 3.76Å; W71-Y116 AromaticContact CE2-CE1 3.94Å; W71-Y116 HydrophobicContact CG-CE1 4.38Å; W71-Y116 HydrophobicContact CH2-CD1 4.46Å; W71-Y116 AromaticContact CZ2-CD1 3.91Å; W71-Y116 HydrophobicContact CZ2-CD1 3.91Å; W71-Y116 HydrophobicContact CZ2-CE1 4.47Å; W71-Y116 AromaticContact NE1-CD1 3.99Å; W71-Y116 AromaticContact NE1-CE1 3.68Å; W71-L118 HydrophobicContact CZ3-CD1 4.15Å; W71-L118 HydrophobicContact CZ3-CG 4.16Å
72	D	89.6	Confident	83.8	Confident	112 Å²	112	65.7 Å²	65.7	60%	0.599	34%	0.341	S	S	*	.	H	α-helix	trans	-64.2	-45.9	175.4	-172.5	-107.1	0	0	0	111.6	K68 E69 I70 L74 K75 A76	K68-D72 WeakPolarHBondContact O-CB 3.36Å; K68-D72 PolarHBondContact O-N 3.11Å; E69-D72 PolarHBondContact O-N 3.03Å; I70-D72 PolarHBondContact O-N 3.13Å; D72-L74 PolarHBondContact O-N 2.72Å; D72-K75 WeakPolarHBondContact O-CB 3.49Å; D72-K75 PolarHBondContact O-N 2.82Å; D72-A76 PolarHBondContact O-N 2.69Å
73	A	91.2	Very high	84.6	Confident	12 Å²	12	65.6 Å²	65.6	10%	0.099	34%	0.342	C	S	.	.	H	α-helix	trans	-60.1	-44.4	174.3	0	0	0	0	0	112.1	E69 I70 K75 A76 A77 I92 A96 I98	E69-A73 WeakPolarHBondContact O-CB 3.44Å; E69-A73 PolarHBondContact O-N 3.29Å; I70-A73 PolarHBondContact O-N 2.83Å; A73-K75 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 2.79Å; A73-A76 PolarHBondContact O-N 2.83Å; A73-A77 VanDerWaalsContact O-CB 3.25Å; A73-A77 WeakPolarHBondContact O-CB 3.45Å; A73-A77 PolarHBondContact O-N 2.81Å; A73-I92 HydrophobicContact CB-CG2 3.82Å; A73-I92 WeakPolarHBondContact O-CG2 3.39Å; A73-A96 HydrophobicContact CB-CB 3.47Å; A73-A96 VanDerWaalsContact CB-CB 3.47Å; A73-I98 HydrophobicContact CB-CD1 4Å
74	L	90.2	Very high	85.2	Confident	0 Å²	0	65.8 Å²	65.8	0%	0	33%	0.33	C	S	.	.	H	α-helix	trans	-63.3	-38	176.3	-73.2	165.7	0	0	0	111.9	W58 I70 W71 D72 A77 A78 I93 I98 L105 C108 Y116 L118	W58-L74 HydrophobicContact CH2-CB 4.42Å; I70-L74 HydrophobicContact CG2-CD1 3.78Å; I70-L74 HydrophobicContact CG2-CG 4.29Å; I70-L74 WeakPolarHBondContact O-CB 3.42Å; I70-L74 WeakPolarHBondContact O-CD1 3.45Å; I70-L74 WeakPolarHBondContact O-CG 3.41Å; I70-L74 PolarHBondContact O-N 2.99Å; W71-L74 HydrophobicContact CE3-CD1 4.43Å; W71-L74 PolarHBondContact O-N 3.08Å; D72-L74 PolarHBondContact O-N 2.72Å; L74-A77 PolarHBondContact O-N 2.93Å; L74-A78 VanDerWaalsContact O-CB 3.27Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.16Å; L74-I93 HydrophobicContact CD2-CD1 4.06Å; L74-I98 HydrophobicContact CD2-CD1 4.06Å; L74-I98 HydrophobicContact CD2-CG2 4.44Å; L74-I98 HydrophobicContact CG-CD1 3.96Å; L74-L105 HydrophobicContact CD2-CD2 4.4Å; L74-L105 HydrophobicContact CD2-CG 4.47Å; L74-C108 HydrophobicContact CD2-CB 3.87Å; L74-C108 WeakPolarHBondContact CD2-SG 3.25Å; L74-Y116 HydrophobicContact CD1-CD1 3.8Å; L74-Y116 HydrophobicContact CD1-CG 3.89Å; L74-L118 HydrophobicContact CB-CD2 4.33Å; L74-L118 HydrophobicContact CD1-CD1 3.92Å; L74-L118 HydrophobicContact CD2-CD1 4.35Å
75	K	87.8	Confident	86.2	Confident	97 Å²	97	63.9 Å²	63.9	42%	0.422	33%	0.326	S	S	.	.	H	α-helix	trans	-64.4	-47.6	175.4	-169	174.7	-176.6	175.2	0	111.5	W58 W71 D72 A73 A77 A78 H79	W58-K75 HydrophobicContact CD2-CB 4.36Å; W58-K75 HydrophobicContact CD2-CD 4.09Å; W58-K75 HydrophobicContact CD2-CG 3.91Å; W58-K75 HydrophobicContact CE3-CB 3.84Å; W58-K75 HydrophobicContact CE3-CD 3.98Å; W58-K75 HydrophobicContact CE3-CG 3.85Å; W58-K75 HydrophobicContact CG-CD 4.36Å; W58-K75 HydrophobicContact CH2-CB 3.75Å; W58-K75 HydrophobicContact CH2-CG 4.19Å; W58-K75 HydrophobicContact CZ2-CB 4.27Å; W58-K75 HydrophobicContact CZ2-CG 4.24Å; W58-K75 HydrophobicContact CZ3-CB 3.5Å; W58-K75 VanDerWaalsContact CZ3-CB 3.5Å; W58-K75 HydrophobicContact CZ3-CG 3.99Å; W71-K75 WeakPolarHBondContact O-CB 3.32Å; W71-K75 PolarHBondContact O-N 2.8Å; D72-K75 WeakPolarHBondContact O-CB 3.49Å; D72-K75 PolarHBondContact O-N 2.82Å; A73-K75 VanDerWaalsContact C-N 3.32Å; A73-K75 PolarHBondContact O-N 2.79Å; K75-A77 VanDerWaalsContact C-N 3.35Å; K75-A78 PolarHBondContact O-N 3.21Å; K75-H79 PolarHBondContact O-N 2.92Å
76	A	90.7	Very high	86.8	Confident	41 Å²	41	57.8 Å²	57.8	34%	0.339	30%	0.297	S	S	.	.	H	α-helix	trans	-63.6	-41.2	176.9	0	0	0	0	0	111.5	D72 A73 H79 A80 I92	D72-A76 PolarHBondContact O-N 2.69Å; A73-A76 PolarHBondContact O-N 2.83Å; A76-H79 PolarHBondContact O-N 2.99Å; A76-A80 WeakPolarHBondContact O-CB 3.31Å; A76-A80 PolarHBondContact O-N 3.07Å; A76-I92 HydrophobicContact CB-CD1 3.66Å; A76-I92 HydrophobicContact CB-CG2 4.36Å
77	A	91.1	Very high	87.5	Confident	0 Å²	0	64.4 Å²	64.4	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-65.7	-41	176.9	0	0	0	0	0	112.1	A73 L74 K75 A80 F81 A89 I92 I93 L105	A73-A77 VanDerWaalsContact O-CB 3.25Å; A73-A77 WeakPolarHBondContact O-CB 3.45Å; A73-A77 PolarHBondContact O-N 2.81Å; L74-A77 PolarHBondContact O-N 2.93Å; K75-A77 VanDerWaalsContact C-N 3.35Å; A77-A80 PolarHBondContact O-N 3.1Å; A77-F81 VanDerWaalsContact O-CB 3.31Å; A77-F81 WeakPolarHBondContact O-CB 3.36Å; A77-F81 PolarHBondContact O-N 2.87Å; A77-A89 WeakPolarHBondContact O-CB 3.47Å; A77-I92 HydrophobicContact CB-CB 4.3Å; A77-I92 HydrophobicContact CB-CG2 4.17Å; A77-I93 HydrophobicContact CB-CD1 3.72Å; A77-I93 HydrophobicContact CB-CG1 3.93Å; A77-L105 HydrophobicContact CB-CD1 3.96Å
78	A	87.2	Confident	87.9	Confident	2 Å²	2	64 Å²	64	2%	0.017	32%	0.323	C	S	.	.	H	α-helix	trans	-61.9	-45.3	174.2	0	0	0	0	0	111.7	W58 L74 K75 A80 F81 E82 L105 L123	W58-A78 HydrophobicContact CH2-CB 4.46Å; W58-A78 HydrophobicContact CZ2-CB 3.98Å; L74-A78 VanDerWaalsContact O-CB 3.27Å; L74-A78 WeakPolarHBondContact O-CB 3.42Å; L74-A78 PolarHBondContact O-N 3.16Å; K75-A78 PolarHBondContact O-N 3.21Å; A78-A80 PolarHBondContact O-N 3.28Å; A78-F81 WeakPolarHBondContact O-CB 3.13Å; A78-F81 PolarHBondContact O-N 2.82Å; A78-E82 WeakPolarHBondContact O-CG 3.48Å; A78-E82 PolarHBondContact O-N 3.37Å; A78-L105 HydrophobicContact CB-CD2 3.96Å; A78-L123 HydrophobicContact CB-CD2 3.74Å
79	H	87.2	Confident	88.2	Confident	125 Å²	125	56.6 Å²	56.6	58%	0.579	29%	0.291	S	S	*	.	H	α-helix	trans	-62.7	-42.8	177.4	-175.6	-88.8	0	0	0	112.2	K75 A76 F81 E82 S83	K75-H79 PolarHBondContact O-N 2.92Å; A76-H79 PolarHBondContact O-N 2.99Å; H79-F81 VanDerWaalsContact C-N 3.31Å; H79-F81 PolarHBondContact O-N 3.36Å; H79-E82 PolarHBondContact O-N 2.98Å; H79-S83 PolarHBondContact O-N 3.42Å; H79-S83 VanDerWaalsContact O-N 3.12Å; H79-S83 PolarHBondContact O-OG 3.47Å
80	A	89	Confident	88.3	Confident	4 Å²	4	54.1 Å²	54.1	3%	0.033	28%	0.279	C	S	.	.	H	α-helix	trans	-63.2	-38.4	174.2	0	0	0	0	0	112.1	A76 A77 A78 E82 S83 N84 D85 L88 A89	A76-A80 WeakPolarHBondContact O-CB 3.31Å; A76-A80 PolarHBondContact O-N 3.07Å; A77-A80 PolarHBondContact O-N 3.1Å; A78-A80 PolarHBondContact O-N 3.28Å; A80-E82 PolarHBondContact O-N 3.39Å; A80-S83 PolarHBondContact O-N 2.77Å; A80-N84 PolarHBondContact O-N 2.85Å; A80-D85 HydrophobicContact CB-CB 4.46Å; A80-D85 PolarHBondContact O-N 3.15Å; A80-L88 HydrophobicContact CB-CB 4.26Å; A80-L88 HydrophobicContact CB-CD2 3.84Å; A80-L88 HydrophobicContact CB-CG 4.5Å; A80-A89 HydrophobicContact CB-CB 3.87Å
81	F	85	Confident	88.5	Confident	6 Å²	6	56.7 Å²	56.7	3%	0.026	30%	0.301	C	S	.	.	H	α-helix	trans	-62.7	-39.7	174.9	-168.1	-102.5	0	0	0	112.7	L32 K33 K36 A77 A78 H79 N84 H86	L32-F81 HydrophobicContact CD1-CD2 4.45Å; L32-F81 HydrophobicContact CD1-CE2 4.37Å; L32-F81 HydrophobicContact CD2-CD2 3.71Å; L32-F81 HydrophobicContact CD2-CE2 4.22Å; L32-F81 HydrophobicContact CG-CD2 4.14Å; L32-F81 HydrophobicContact CG-CE2 4.14Å; K33-F81 WeakPolarHBondContact O-CE2 3.4Å; K33-F81 WeakPolarHBondContact O-CZ 3.4Å; K36-F81 HydrophobicContact CB-CE1 4.5Å; K36-F81 HydrophobicContact CG-CE1 3.96Å; K36-F81 HydrophobicContact CG-CZ 4.42Å; A77-F81 VanDerWaalsContact O-CB 3.31Å; A77-F81 WeakPolarHBondContact O-CB 3.36Å; A77-F81 PolarHBondContact O-N 2.87Å; A78-F81 WeakPolarHBondContact O-CB 3.13Å; A78-F81 PolarHBondContact O-N 2.82Å; H79-F81 VanDerWaalsContact C-N 3.31Å; H79-F81 PolarHBondContact O-N 3.36Å; F81-N84 PolarHBondContact O-N 3.44Å; F81-H86 AromaticContact CD2-CD2 3.66Å; F81-H86 AromaticContact CE2-CD2 3.65Å; F81-H86 AromaticContact CE2-NE2 3.87Å
82	E	80.3	Confident	88.6	Confident	64 Å²	64	57.7 Å²	57.7	30%	0.299	31%	0.308	S	S	.	.	H	α-helix	trans	-64.5	-41	175.2	-72.1	-172	100.8	0	0	112.3	R54 A78 H79 A80 N84	R54-E82 IonicContact CZ-OE2 3.53Å; R54-E82 IonicContact NH1-OE1 3.52Å; R54-E82 PolarHBondContact NH1-OE1 3.21Å; R54-E82 IonicContact NH1-OE2 3.73Å; R54-E82 PolarHBondContact NH1-OE2 3.02Å; A78-E82 WeakPolarHBondContact O-CG 3.48Å; A78-E82 PolarHBondContact O-N 3.37Å; H79-E82 PolarHBondContact O-N 2.98Å; A80-E82 PolarHBondContact O-N 3.39Å; E82-N84 PolarHBondContact O-N 3.37Å
83	S	83.6	Confident	88.7	Confident	60 Å²	60	52.7 Å²	52.7	42%	0.42	28%	0.281	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.9	-4.8	175	-64	0	0	0	0	114.1	H79 A80 D85	H79-S83 PolarHBondContact O-N 3.42Å; H79-S83 VanDerWaalsContact O-N 3.12Å; H79-S83 PolarHBondContact O-OG 3.47Å; A80-S83 PolarHBondContact O-N 2.77Å; S83-D85 VanDerWaalsContact C-N 3.26Å
84	N	84.1	Confident	88.6	Confident	95 Å²	95	58 Å²	58	51%	0.508	31%	0.308	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	20.9	-173	-40.8	-89.1	0	0	0	113.7	K36 A80 F81 E82 H86	K36-N84 PolarHBondContact NZ-OD1 3.26Å; A80-N84 PolarHBondContact O-N 2.85Å; F81-N84 PolarHBondContact O-N 3.44Å; E82-N84 PolarHBondContact O-N 3.37Å; N84-H86 PolarHBondContact O-N 2.97Å; N84-H86 PolarHBondContact O-ND1 3.22Å
85	D	89.4	Confident	88.6	Confident	88 Å²	88	61 Å²	61	47%	0.471	34%	0.339	S	S	.	.			trans	-91.5	75.2	173.5	-78.6	-42.1	0	0	0	110.4	A80 S83 E87 L88 A89	A80-D85 HydrophobicContact CB-CB 4.46Å; A80-D85 PolarHBondContact O-N 3.15Å; S83-D85 VanDerWaalsContact C-N 3.26Å; D85-E87 VanDerWaalsContact C-N 3.31Å; D85-E87 PolarHBondContact O-N 3.38Å; D85-L88 HydrophobicContact CB-CB 4.01Å; D85-L88 PolarHBondContact O-N 3.34Å; D85-A89 PolarHBondContact O-N 3.37Å
86	H	86.5	Confident	88.8	Confident	49 Å²	49	57.3 Å²	57.3	23%	0.227	33%	0.326	C	S	.	.	H	α-helix	trans	-66.4	-32.5	-178.2	-55	103.4	0	0	0	113.1	K34 F81 N84 Q90	K34-H86 VanDerWaalsContact CA-CD2 3.46Å; K34-H86 WeakPolarHBondContact CA-CD2 3.16Å; K34-H86 WeakPolarHBondContact CA-NE2 3.08Å; K34-H86 WeakPolarHBondContact CB-NE2 3.22Å; F81-H86 AromaticContact CD2-CD2 3.66Å; F81-H86 AromaticContact CE2-CD2 3.65Å; F81-H86 AromaticContact CE2-NE2 3.87Å; N84-H86 PolarHBondContact O-N 2.97Å; N84-H86 PolarHBondContact O-ND1 3.22Å; H86-Q90 WeakPolarHBondContact O-CB 3.47Å; H86-Q90 PolarHBondContact O-N 3.39Å
87	E	90.9	Very high	88.8	Confident	177 Å²	177	60.2 Å²	60.2	83%	0.827	34%	0.336	S	S	*	.	H	α-helix	trans	-64.7	-45.4	177.8	-63.1	-174.6	93.9	0	0	111.1	D85 Q90 A91	D85-E87 VanDerWaalsContact C-N 3.31Å; D85-E87 PolarHBondContact O-N 3.38Å; E87-Q90 PolarHBondContact O-N 3.01Å; E87-A91 WeakPolarHBondContact O-CB 3.41Å; E87-A91 PolarHBondContact O-N 2.78Å
88	L	91.7	Very high	88.7	Confident	90 Å²	90	60.4 Å²	60.4	47%	0.471	34%	0.337	S	S	.	.	H	α-helix	trans	-65	-46.6	177.2	-161.7	170.8	0	0	0	110.3	A80 D85 Q90 A91 I92	A80-L88 HydrophobicContact CB-CB 4.26Å; A80-L88 HydrophobicContact CB-CD2 3.84Å; A80-L88 HydrophobicContact CB-CG 4.5Å; D85-L88 HydrophobicContact CB-CB 4.01Å; D85-L88 PolarHBondContact O-N 3.34Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; L88-Q90 PolarHBondContact O-N 2.78Å; L88-A91 PolarHBondContact O-N 2.78Å; L88-I92 HydrophobicContact CD2-CD1 3.18Å; L88-I92 HydrophobicContact CD2-CG1 3.8Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.06Å
89	A	90.6	Very high	88.7	Confident	0 Å²	0	63 Å²	63	0%	0	35%	0.352	C	S	.	.	H	α-helix	trans	-57.2	-46.4	176	0	0	0	0	0	111.7	L32 A77 A80 D85 I92 I93	L32-A89 HydrophobicContact CD2-CB 3.51Å; A77-A89 WeakPolarHBondContact O-CB 3.47Å; A80-A89 HydrophobicContact CB-CB 3.87Å; D85-A89 PolarHBondContact O-N 3.37Å; A89-I92 PolarHBondContact O-N 2.9Å; A89-I93 VanDerWaalsContact O-CG1 3.29Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 3.22Å
90	Q	89.3	Confident	88.7	Confident	90 Å²	90	57.1 Å²	57.1	42%	0.421	33%	0.325	S	S	.	.	H	α-helix	trans	-66.4	-37.9	178.4	-163.2	179.1	-85.6	0	0	112.2	P31 H86 E87 L88 I92 I93 D94	P31-Q90 VanDerWaalsContact CB-OE1 3.23Å; H86-Q90 WeakPolarHBondContact O-CB 3.47Å; H86-Q90 PolarHBondContact O-N 3.39Å; E87-Q90 PolarHBondContact O-N 3.01Å; L88-Q90 VanDerWaalsContact C-N 3.33Å; L88-Q90 PolarHBondContact O-N 2.78Å; Q90-I92 VanDerWaalsContact C-N 3.33Å; Q90-I92 PolarHBondContact O-N 3.2Å; Q90-I93 PolarHBondContact O-N 2.7Å; Q90-D94 WeakPolarHBondContact O-CB 3.34Å; Q90-D94 PolarHBondContact O-N 2.97Å
91	A	93.1	Very high	88.4	Confident	62 Å²	62	58.9 Å²	58.9	51%	0.512	34%	0.336	S	S	.	.	H	α-helix	trans	-63.9	-36.8	175.4	0	0	0	0	0	112.4	E87 L88 G95	E87-A91 WeakPolarHBondContact O-CB 3.41Å; E87-A91 PolarHBondContact O-N 2.78Å; L88-A91 PolarHBondContact O-N 2.78Å; A91-G95 PolarHBondContact O-N 3.31Å
92	I	92.5	Very high	88.3	Confident	37 Å²	37	64.3 Å²	64.3	19%	0.19	36%	0.362	C	S	.	.	H	α-helix	trans	-66.1	-46.4	173.9	-66	162.3	0	0	0	110.7	A73 A76 A77 L88 A89 Q90 D94 G95 A96	A73-I92 HydrophobicContact CB-CG2 3.82Å; A73-I92 WeakPolarHBondContact O-CG2 3.39Å; A76-I92 HydrophobicContact CB-CD1 3.66Å; A76-I92 HydrophobicContact CB-CG2 4.36Å; A77-I92 HydrophobicContact CB-CB 4.3Å; A77-I92 HydrophobicContact CB-CG2 4.17Å; L88-I92 HydrophobicContact CD2-CD1 3.18Å; L88-I92 HydrophobicContact CD2-CG1 3.8Å; L88-I92 WeakPolarHBondContact O-CG1 3.4Å; L88-I92 PolarHBondContact O-N 3.06Å; A89-I92 PolarHBondContact O-N 2.9Å; Q90-I92 VanDerWaalsContact C-N 3.33Å; Q90-I92 PolarHBondContact O-N 3.2Å; I92-D94 PolarHBondContact O-N 3.1Å; I92-G95 PolarHBondContact O-N 3.15Å; I92-A96 WeakPolarHBondContact O-CB 3.49Å; I92-A96 PolarHBondContact O-N 2.8Å
93	I	90.8	Very high	88.4	Confident	7 Å²	7	61.2 Å²	61.2	4%	0.036	35%	0.347	C	S	.	.	H	α-helix	trans	-60.7	-45.3	178.9	-68.1	-57.7	0	0	0	110.9	L74 A77 A89 Q90 A96 N97 I98 L100 L105	L74-I93 HydrophobicContact CD2-CD1 4.06Å; A77-I93 HydrophobicContact CB-CD1 3.72Å; A77-I93 HydrophobicContact CB-CG1 3.93Å; A89-I93 VanDerWaalsContact O-CG1 3.29Å; A89-I93 WeakPolarHBondContact O-CG1 3.43Å; A89-I93 PolarHBondContact O-N 3.22Å; Q90-I93 PolarHBondContact O-N 2.7Å; I93-A96 PolarHBondContact O-N 3.24Å; I93-N97 PolarHBondContact O-N 3.15Å; I93-I98 HydrophobicContact CD1-CB 4.17Å; I93-I98 HydrophobicContact CD1-CD1 3.88Å; I93-I98 HydrophobicContact CD1-CG2 4.06Å; I93-I98 HydrophobicContact CG2-CB 3.9Å; I93-I98 HydrophobicContact CG2-CG2 4.15Å; I93-I98 WeakPolarHBondContact CG2-O 3.43Å; I93-I98 PolarHBondContact O-N 3.25Å; I93-L100 HydrophobicContact CG2-CD1 4.31Å; I93-L100 HydrophobicContact CG2-CG 4.27Å; I93-L105 HydrophobicContact CD1-CD1 4.05Å; I93-L105 HydrophobicContact CG1-CD1 4.25Å
94	D	89.8	Confident	88.4	Confident	125 Å²	125	60 Å²	60	67%	0.668	34%	0.34	S	S	*	.	H	α-helix	trans	-63.8	-45.6	176	-172.5	-107.7	0	0	0	111.7	Q90 I92 A96 N97	Q90-D94 WeakPolarHBondContact O-CB 3.34Å; Q90-D94 PolarHBondContact O-N 2.97Å; I92-D94 PolarHBondContact O-N 3.1Å; D94-A96 PolarHBondContact O-N 2.89Å; D94-N97 PolarHBondContact O-N 3.39Å
95	G	90.5	Very high	88.4	Confident	63 Å²	63	55.7 Å²	55.7	65%	0.649	32%	0.317	S	S	*	.	H	α-helix	trans	-65.3	-24.5	178.2	0	0	0	0	0	114.3	A91 I92	A91-G95 PolarHBondContact O-N 3.31Å; I92-G95 PolarHBondContact O-N 3.15Å
96	A	90.8	Very high	88.2	Confident	19 Å²	19	53.3 Å²	53.3	16%	0.157	31%	0.306	C	S	.	.	T	Hydrogen-bonded Turn	trans	-95	6.6	174.2	0	0	0	0	0	113.2	I70 A73 I92 I93 D94 I98	I70-A96 HydrophobicContact CD1-CB 4.29Å; I70-A96 WeakPolarHBondContact CD1-O 3.32Å; A73-A96 HydrophobicContact CB-CB 3.47Å; A73-A96 VanDerWaalsContact CB-CB 3.47Å; I92-A96 WeakPolarHBondContact O-CB 3.49Å; I92-A96 PolarHBondContact O-N 2.8Å; I93-A96 PolarHBondContact O-N 3.24Å; D94-A96 PolarHBondContact O-N 2.89Å; A96-I98 HydrophobicContact CB-CD1 3.57Å; A96-I98 HydrophobicContact CB-CG1 3.78Å; A96-I98 PolarHBondContact O-N 2.82Å; A96-I98 VanDerWaalsContact O-N 3.15Å
97	N	90.5	Very high	88.1	Confident	101 Å²	101	53.2 Å²	53.2	54%	0.54	31%	0.306	S	S	.	.	T	Hydrogen-bonded Turn	trans	54.1	30.5	-176.3	-74.3	96.6	0	0	0	114.1	I93 D94 E111	I93-N97 PolarHBondContact O-N 3.15Å; D94-N97 PolarHBondContact O-N 3.39Å; N97-E111 HydrophobicContact CB-CB 4.23Å
98	I	89.5	Confident	87.9	Confident	4 Å²	4	44.8 Å²	44.8	2%	0.021	27%	0.267	C	S	.	.			trans	-84.2	131.2	-179.5	-62.5	166	0	0	0	109.7	I70 A73 L74 I93 A96 L100 C108 Y109	I70-I98 HydrophobicContact CD1-CD1 4.37Å; I70-I98 HydrophobicContact CD1-CG1 4.04Å; I70-I98 HydrophobicContact CG2-CD1 3.88Å; I70-I98 HydrophobicContact CG2-CG1 4.06Å; A73-I98 HydrophobicContact CB-CD1 4Å; L74-I98 HydrophobicContact CD2-CD1 4.06Å; L74-I98 HydrophobicContact CD2-CG2 4.44Å; L74-I98 HydrophobicContact CG-CD1 3.96Å; I93-I98 HydrophobicContact CD1-CB 4.17Å; I93-I98 HydrophobicContact CD1-CD1 3.88Å; I93-I98 HydrophobicContact CD1-CG2 4.06Å; I93-I98 HydrophobicContact CG2-CB 3.9Å; I93-I98 HydrophobicContact CG2-CG2 4.15Å; I93-I98 WeakPolarHBondContact CG2-O 3.43Å; I93-I98 PolarHBondContact O-N 3.25Å; A96-I98 HydrophobicContact CB-CD1 3.57Å; A96-I98 HydrophobicContact CB-CG1 3.78Å; A96-I98 PolarHBondContact O-N 2.82Å; A96-I98 VanDerWaalsContact O-N 3.15Å; I98-L100 HydrophobicContact CG2-CD2 4.4Å; I98-C108 HydrophobicContact CG2-CB 3.64Å; I98-Y109 CarbonylContact C-O 3.59Å; I98-Y109 WeakPolarHBondContact CA-O 3.29Å
99	T	88.3	Confident	87.8	Confident	56 Å²	56	44 Å²	44	34%	0.344	26%	0.258	S	S	.	.	B	Isolated β-bridge	trans	-105.7	133.8	177.5	-66.7	0	0	0	0	112	N29 Y109	N29-T99 HydrophobicContact CB-CG2 3.79Å; T99-Y109 PolarHBondContact N-O 3.37Å; T99-Y109 PolarHBondContact O-N 2.69Å
100	L	87.3	Confident	87.8	Confident	2 Å²	2	44.4 Å²	44.4	1%	0.01	26%	0.26	C	S	.	.			trans	-111	98.5	176.7	-52.7	175.4	0	0	0	109.4	Q30 L32 I93 I98 H102 G103 C108	Q30-L100 PolarHBondContact N-O 2.81Å; L32-L100 HydrophobicContact CB-CD1 3.91Å; L32-L100 HydrophobicContact CD1-CD1 3.79Å; L32-L100 HydrophobicContact CG-CD1 4.46Å; I93-L100 HydrophobicContact CG2-CD1 4.31Å; I93-L100 HydrophobicContact CG2-CG 4.27Å; I98-L100 HydrophobicContact CG2-CD2 4.4Å; L100-H102 VanDerWaalsContact C-N 3.28Å; L100-H102 PolarHBondContact O-N 2.96Å; L100-G103 PolarHBondContact O-N 3.49Å; L100-C108 HydrophobicContact CD2-CB 3.99Å; L100-C108 WeakPolarHBondContact CD2-SG 3.28Å
101	P	82.8	Confident	87.6	Confident	41 Å²	41	46 Å²	46	27%	0.266	27%	0.267	S	S	.	.	S	Bend	trans	-66.5	-32.9	-179.9	25	-33.3	0	0	0	112.4	Q30 Y109	Q30-P101 PolarHBondContact NE2-O 2.98Å; P101-Y109 VanDerWaalsContact CD-CD2 3.47Å; P101-Y109 HydrophobicContact CG-CD2 3.74Å; P101-Y109 HydrophobicContact CG-CE2 3.34Å
102	H	81.9	Confident	87.3	Confident	120 Å²	120	48 Å²	48	56%	0.556	27%	0.269	S	S	*	.	S	Bend	trans	-96.9	-2.4	178.3	-63.5	-65.3	0	0	0	113.3	L100 A104 E107	L100-H102 VanDerWaalsContact C-N 3.28Å; L100-H102 PolarHBondContact O-N 2.96Å; H102-A104 HydrophobicContact CB-CB 4.45Å; H102-A104 PolarHBondContact O-N 3.38Å; H102-E107 IonicContact CD2-OE1 3.13Å; H102-E107 IonicContact NE2-OE1 3.16Å
103	G	82.2	Confident	86.9	Confident	0 Å²	0	48.7 Å²	48.7	0%	0	29%	0.285	C	S	.	.	S	Bend	trans	65.9	14.6	-170.8	0	0	0	0	0	113.3	K33 L100	K33-G103 WeakPolarHBondContact CB-O 3.37Å; K33-G103 PolarHBondContact N-O 3.42Å; L100-G103 PolarHBondContact O-N 3.49Å
104	A	83.2	Confident	86.7	Confident	33 Å²	33	51 Å²	51	27%	0.273	30%	0.297	S	S	.	.			trans	-110.5	134.7	-179.9	0	0	0	0	0	109.8	H102 T106 E107	H102-A104 HydrophobicContact CB-CB 4.45Å; H102-A104 PolarHBondContact O-N 3.38Å; A104-T106 WeakPolarHBondContact CB-OG1 3.46Å; A104-T106 PolarHBondContact O-N 3.42Å; A104-T106 VanDerWaalsContact O-N 3.1Å; A104-E107 PolarHBondContact O-N 3.31Å
105	L	84.7	Confident	86.6	Confident	5 Å²	5	53.4 Å²	53.4	3%	0.026	30%	0.297	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-4.8	177.3	-141.9	113.9	0	0	0	112.9	L32 L74 A77 A78 I93 E107 C108 L118 L123	L32-L105 HydrophobicContact CD1-CB 4.06Å; L32-L105 HydrophobicContact CD1-CD1 3.7Å; L32-L105 HydrophobicContact CD2-CD1 4.04Å; L74-L105 HydrophobicContact CD2-CD2 4.4Å; L74-L105 HydrophobicContact CD2-CG 4.47Å; A77-L105 HydrophobicContact CB-CD1 3.96Å; A78-L105 HydrophobicContact CB-CD2 3.96Å; I93-L105 HydrophobicContact CD1-CD1 4.05Å; I93-L105 HydrophobicContact CG1-CD1 4.25Å; L105-E107 VanDerWaalsContact C-N 3.3Å; L105-C108 PolarHBondContact O-SG 3.05Å; L105-L118 HydrophobicContact CD2-CD2 4.35Å; L105-L123 HydrophobicContact CB-CD1 3.79Å; L105-L123 HydrophobicContact CB-CD2 3.95Å; L105-L123 HydrophobicContact CD2-CD2 3.35Å; L105-L123 HydrophobicContact CG-CD2 4.25Å
106	T	84.4	Confident	86.4	Confident	38 Å²	38	50.5 Å²	50.5	23%	0.233	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.1	-28.2	175.8	51.8	0	0	0	0	112.6	A104 Q117 L118 V120 L123	A104-T106 WeakPolarHBondContact CB-OG1 3.46Å; A104-T106 PolarHBondContact O-N 3.42Å; A104-T106 VanDerWaalsContact O-N 3.1Å; T106-Q117 CarbonylContact O-C 3.51Å; T106-Q117 WeakPolarHBondContact O-CA 3.22Å; T106-L118 WeakPolarHBondContact CA-O 3.46Å; T106-L118 PolarHBondContact O-N 2.91Å; T106-V120 HydrophobicContact CG2-CG1 3.58Å; T106-L123 HydrophobicContact CG2-CD1 3.6Å
107	E	85.4	Confident	86.2	Confident	48 Å²	48	54.7 Å²	54.7	22%	0.224	28%	0.283	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	108.2	-179.4	-165.2	175.3	83.7	0	0	109.7	H102 A104 L105 Y109 Y116 Q117	H102-E107 IonicContact CD2-OE1 3.13Å; H102-E107 IonicContact NE2-OE1 3.16Å; A104-E107 PolarHBondContact O-N 3.31Å; L105-E107 VanDerWaalsContact C-N 3.3Å; E107-Y109 HydrophobicContact CG-CE2 3.91Å; E107-Y109 PolarHBondContact OE1-OH 2.89Å; E107-Y116 WeakPolarHBondContact CA-O 3.3Å; E107-Q117 HydrophobicContact CG-CG 4.3Å
108	C	87.4	Confident	85.9	Confident	0 Å²	0	50.2 Å²	50.2	0%	0	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	152.2	-172.8	-53.8	0	0	0	0	110.2	L74 I98 L100 L105 Y116	L74-C108 HydrophobicContact CD2-CB 3.87Å; L74-C108 WeakPolarHBondContact CD2-SG 3.25Å; I98-C108 HydrophobicContact CG2-CB 3.64Å; L100-C108 HydrophobicContact CD2-CB 3.99Å; L100-C108 WeakPolarHBondContact CD2-SG 3.28Å; L105-C108 PolarHBondContact O-SG 3.05Å; C108-Y116 PolarHBondContact N-O 3.27Å; C108-Y116 PolarHBondContact O-N 3.33Å
109	Y	88.7	Confident	85.6	Confident	74 Å²	74	51.6 Å²	51.6	29%	0.29	27%	0.268	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	135.7	179.2	-65.1	-101.3	0	0	0	110.1	I98 T99 P101 E107 N114 R115	I98-Y109 CarbonylContact C-O 3.59Å; I98-Y109 WeakPolarHBondContact CA-O 3.29Å; T99-Y109 PolarHBondContact N-O 3.37Å; T99-Y109 PolarHBondContact O-N 2.69Å; P101-Y109 VanDerWaalsContact CD-CD2 3.47Å; P101-Y109 HydrophobicContact CG-CD2 3.74Å; P101-Y109 HydrophobicContact CG-CE2 3.34Å; E107-Y109 HydrophobicContact CG-CE2 3.91Å; E107-Y109 PolarHBondContact OE1-OH 2.89Å; Y109-N114 VanDerWaalsContact CA-O 3.31Å; Y109-N114 WeakPolarHBondContact CA-O 2.82Å; Y109-R115 HydrophobicContact CD1-CB 4.1Å; Y109-R115 HydrophobicContact CE1-CB 3.81Å
110	D	89.9	Confident	85.3	Confident	7 Å²	7	51.2 Å²	51.2	4%	0.037	27%	0.266	C	S	.	.			trans	-82.5	169	173.7	173.3	-121.5	0	0	0	111.9	I70 L112 G113 N114 Y116	I70-D110 WeakPolarHBondContact CD1-OD2 2.86Å; I70-D110 HydrophobicContact CG1-CB 4.31Å; I70-D110 WeakPolarHBondContact CG1-OD2 3.28Å; D110-L112 PolarHBondContact O-N 3.3Å; D110-L112 VanDerWaalsContact O-N 3.16Å; D110-L112 WeakPolarHBondContact OD1-CB 2.95Å; D110-L112 PolarHBondContact OD1-N 3.18Å; D110-G113 WeakPolarHBondContact O-CA 3.36Å; D110-G113 PolarHBondContact O-N 3.48Å; D110-N114 HydrophobicContact CB-CB 4.16Å; D110-N114 PolarHBondContact N-O 3.12Å; D110-N114 PolarHBondContact OD1-ND2 3.29Å; D110-Y116 HydrophobicContact CB-CD2 4.41Å; D110-Y116 HydrophobicContact CB-CE2 3.6Å
111	E	86	Confident	84.9	Confident	123 Å²	123	53.3 Å²	53.3	58%	0.575	27%	0.274	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.2	-29.7	177	63.5	174.8	87.8	0	0	113.3	N97 G113	N97-E111 HydrophobicContact CB-CB 4.23Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 3.2Å
112	L	85.9	Confident	84.7	Confident	106 Å²	106	51.4 Å²	51.4	56%	0.555	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-81.5	-2.8	176.7	-63.9	-178.3	0	0	0	113.5	D110 N114	D110-L112 PolarHBondContact O-N 3.3Å; D110-L112 VanDerWaalsContact O-N 3.16Å; D110-L112 WeakPolarHBondContact OD1-CB 2.95Å; D110-L112 PolarHBondContact OD1-N 3.18Å; L112-N114 VanDerWaalsContact C-N 3.34Å
113	G	84.2	Confident	84.6	Confident	51 Å²	51	45.9 Å²	45.9	53%	0.526	24%	0.236	S	C	.	.			trans	80.4	11.9	-173.8	0	0	0	0	0	114.2	D110 E111 R115	D110-G113 WeakPolarHBondContact O-CA 3.36Å; D110-G113 PolarHBondContact O-N 3.48Å; E111-G113 VanDerWaalsContact C-N 3.26Å; E111-G113 PolarHBondContact O-N 3.2Å; G113-R115 PolarHBondContact O-N 2.95Å
114	N	87.1	Confident	84.2	Confident	55 Å²	55	46 Å²	46	29%	0.294	24%	0.237	S	C	.	.			trans	-65.9	129.7	172	-63.7	-54.3	0	0	0	109.3	Y109 D110 L112 Y116	Y109-N114 VanDerWaalsContact CA-O 3.31Å; Y109-N114 WeakPolarHBondContact CA-O 2.82Å; D110-N114 HydrophobicContact CB-CB 4.16Å; D110-N114 PolarHBondContact N-O 3.12Å; D110-N114 PolarHBondContact OD1-ND2 3.29Å; L112-N114 VanDerWaalsContact C-N 3.34Å; N114-Y116 HydrophobicContact CB-CE2 3.72Å; N114-Y116 WeakPolarHBondContact O-CD2 2.91Å; N114-Y116 WeakPolarHBondContact O-CE2 3.42Å
115	R	87.2	Confident	83.6	Confident	175 Å²	175	47.9 Å²	47.9	66%	0.66	25%	0.246	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-89.9	134.4	178.4	67.4	178.2	-178.1	168.9	0.7	110.9	Y109 G113	Y109-R115 HydrophobicContact CD1-CB 4.1Å; Y109-R115 HydrophobicContact CE1-CB 3.81Å; G113-R115 PolarHBondContact O-N 2.95Å
116	Y	87.2	Confident	83	Confident	2 Å²	2	47.9 Å²	47.9	1%	0.008	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	117.4	177.6	-66.1	-99.9	0	0	0	108.2	G66 R67 I70 W71 L74 E107 C108 D110 N114	G66-Y116 WeakPolarHBondContact CA-OH 3.48Å; R67-Y116 PolarHBondContact N-OH 2.87Å; I70-Y116 HydrophobicContact CB-CE1 3.96Å; I70-Y116 HydrophobicContact CB-CE2 4.33Å; I70-Y116 WeakPolarHBondContact CB-OH 3.47Å; I70-Y116 HydrophobicContact CG2-CD1 4.01Å; I70-Y116 HydrophobicContact CG2-CD2 3.97Å; I70-Y116 HydrophobicContact CG2-CE1 3.6Å; I70-Y116 HydrophobicContact CG2-CE2 3.62Å; I70-Y116 HydrophobicContact CG2-CG 4.16Å; W71-Y116 AromaticContact CD1-CE1 3.96Å; W71-Y116 HydrophobicContact CD2-CD1 4.18Å; W71-Y116 HydrophobicContact CD2-CE1 4.36Å; W71-Y116 AromaticContact CE2-CD1 3.76Å; W71-Y116 AromaticContact CE2-CE1 3.94Å; W71-Y116 HydrophobicContact CG-CE1 4.38Å; W71-Y116 HydrophobicContact CH2-CD1 4.46Å; W71-Y116 AromaticContact CZ2-CD1 3.91Å; W71-Y116 HydrophobicContact CZ2-CD1 3.91Å; W71-Y116 HydrophobicContact CZ2-CE1 4.47Å; W71-Y116 AromaticContact NE1-CD1 3.99Å; W71-Y116 AromaticContact NE1-CE1 3.68Å; L74-Y116 HydrophobicContact CD1-CD1 3.8Å; L74-Y116 HydrophobicContact CD1-CG 3.89Å; E107-Y116 WeakPolarHBondContact CA-O 3.3Å; C108-Y116 PolarHBondContact N-O 3.27Å; C108-Y116 PolarHBondContact O-N 3.33Å; D110-Y116 HydrophobicContact CB-CD2 4.41Å; D110-Y116 HydrophobicContact CB-CE2 3.6Å; N114-Y116 HydrophobicContact CB-CE2 3.72Å; N114-Y116 WeakPolarHBondContact O-CD2 2.91Å; N114-Y116 WeakPolarHBondContact O-CE2 3.42Å
117	Q	85.7	Confident	82.4	Confident	108 Å²	108	52 Å²	52	51%	0.505	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	118.9	177.6	-73.8	176.6	-99.3	0	0	109.3	T106 E107	T106-Q117 CarbonylContact O-C 3.51Å; T106-Q117 WeakPolarHBondContact O-CA 3.22Å; E107-Q117 HydrophobicContact CG-CG 4.3Å
118	L	85.9	Confident	81.5	Confident	6 Å²	6	53.2 Å²	53.2	3%	0.031	27%	0.274	C	S	.	.			trans	-107.4	125.4	177.8	-77.4	83.3	0	0	0	108.7	W58 W71 L74 L105 T106 V120	W58-L118 HydrophobicContact CH2-CD2 3.53Å; W58-L118 HydrophobicContact CZ2-CD2 4.03Å; W58-L118 HydrophobicContact CZ3-CD2 4.38Å; W71-L118 HydrophobicContact CZ3-CD1 4.15Å; W71-L118 HydrophobicContact CZ3-CG 4.16Å; L74-L118 HydrophobicContact CB-CD2 4.33Å; L74-L118 HydrophobicContact CD1-CD1 3.92Å; L74-L118 HydrophobicContact CD2-CD1 4.35Å; L105-L118 HydrophobicContact CD2-CD2 4.35Å; T106-L118 WeakPolarHBondContact CA-O 3.46Å; T106-L118 PolarHBondContact O-N 2.91Å; L118-V120 PolarHBondContact O-N 3.14Å
119	P	82.7	Confident	80.2	Confident	34 Å²	34	55.7 Å²	55.7	22%	0.221	29%	0.286	C	S	.	.			trans	-57.7	139.5	171.8	-22.6	32.8	0	0	0	111	F57 Y121 C122	F57-P119 HydrophobicContact CD2-CG 3.96Å; F57-P119 HydrophobicContact CE2-CG 3.61Å; F57-P119 HydrophobicContact CZ-CG 3.92Å; P119-Y121 HydrophobicContact CB-CD1 3.34Å; P119-Y121 HydrophobicContact CB-CD2 4.18Å; P119-Y121 HydrophobicContact CB-CE1 3.06Å; P119-Y121 HydrophobicContact CB-CE2 3.93Å; P119-Y121 HydrophobicContact CB-CG 3.89Å; P119-Y121 HydrophobicContact CG-CD1 4.39Å; P119-Y121 HydrophobicContact CG-CE1 3.65Å; P119-Y121 HydrophobicContact CG-CE2 4.22Å; P119-Y121 WeakPolarHBondContact CG-OH 3.43Å; P119-Y121 PolarHBondContact O-N 3Å; P119-C122 WeakPolarHBondContact O-CB 3.32Å; P119-C122 PolarHBondContact O-N 2.8Å
120	V	81.1	Confident	78.8	Confident	47 Å²	47	55.1 Å²	55.1	29%	0.285	29%	0.288	S	S	.	.	G	3₁₀ helix	trans	-53.9	-27.9	177.4	-71.4	0	0	0	0	113.2	P37 W39 T106 L118 C122 L123 A124	P37-V120 HydrophobicContact CB-CG1 4.25Å; P37-V120 HydrophobicContact CG-CG1 4.47Å; W39-V120 HydrophobicContact CB-CB 4.28Å; W39-V120 HydrophobicContact CB-CG2 3.81Å; W39-V120 HydrophobicContact CD2-CB 4.25Å; W39-V120 HydrophobicContact CD2-CG2 3.48Å; W39-V120 VanDerWaalsContact CD2-CG2 3.48Å; W39-V120 HydrophobicContact CE3-CG2 3.89Å; W39-V120 HydrophobicContact CG-CB 3.84Å; W39-V120 HydrophobicContact CG-CG2 3.42Å; W39-V120 VanDerWaalsContact CG-CG2 3.42Å; W39-V120 PolarHBondContact NE1-O 2.76Å; T106-V120 HydrophobicContact CG2-CG1 3.58Å; L118-V120 PolarHBondContact O-N 3.14Å; V120-C122 PolarHBondContact O-N 3.03Å; V120-L123 PolarHBondContact O-N 3.46Å; V120-A124 PolarHBondContact O-N 3.31Å
121	Y	79	Confident	76.9	Confident	47 Å²	47	63.2 Å²	63.2	18%	0.184	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-69.1	-17.2	178.6	66.7	-112	0	0	0	114.4	K53 F57 P119 L123	K53-Y121 HydrophobicContact CD-CE2 4.48Å; K53-Y121 HydrophobicContact CG-CD2 4.4Å; K53-Y121 HydrophobicContact CG-CE2 4.02Å; F57-Y121 HydrophobicContact CB-CE2 4.02Å; F57-Y121 WeakPolarHBondContact CD2-OH 3.41Å; F57-Y121 HydrophobicContact CG-CE2 4.31Å; P119-Y121 HydrophobicContact CB-CD1 3.34Å; P119-Y121 HydrophobicContact CB-CD2 4.18Å; P119-Y121 HydrophobicContact CB-CE1 3.06Å; P119-Y121 HydrophobicContact CB-CE2 3.93Å; P119-Y121 HydrophobicContact CB-CG 3.89Å; P119-Y121 HydrophobicContact CG-CD1 4.39Å; P119-Y121 HydrophobicContact CG-CE1 3.65Å; P119-Y121 HydrophobicContact CG-CE2 4.22Å; P119-Y121 WeakPolarHBondContact CG-OH 3.43Å; P119-Y121 PolarHBondContact O-N 3Å; Y121-L123 VanDerWaalsContact C-N 3.35Å
122	C	79.6	Confident	74.9	Confident	1 Å²	1	63 Å²	63	1%	0.007	32%	0.324	C	S	.	.	G	3₁₀ helix	trans	-81.9	-16.7	171.8	-69.7	0	0	0	0	112.8	R54 F57 W58 P119 V120	R54-C122 HydrophobicContact CG-CB 4.43Å; F57-C122 WeakPolarHBondContact CD1-SG 3.09Å; W58-C122 HydrophobicContact CZ2-CB 4.42Å; P119-C122 WeakPolarHBondContact O-CB 3.32Å; P119-C122 PolarHBondContact O-N 2.8Å; V120-C122 PolarHBondContact O-N 3.03Å
123	L	79.7	Confident	73	Confident	4 Å²	4	66.6 Å²	66.6	2%	0.021	34%	0.335	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.3	-30	-170.4	-57.8	175.6	0	0	0	113.6	P37 A78 L105 T106 V120 Y121	P37-L123 HydrophobicContact CG-CB 4.39Å; A78-L123 HydrophobicContact CB-CD2 3.74Å; L105-L123 HydrophobicContact CB-CD1 3.79Å; L105-L123 HydrophobicContact CB-CD2 3.95Å; L105-L123 HydrophobicContact CD2-CD2 3.35Å; L105-L123 HydrophobicContact CG-CD2 4.25Å; T106-L123 HydrophobicContact CG2-CD1 3.6Å; V120-L123 PolarHBondContact O-N 3.46Å; Y121-L123 VanDerWaalsContact C-N 3.35Å
124	A	73.2	Confident	70.9	Confident	3 Å²	3	69.4 Å²	69.4	3%	0.025	35%	0.347	C	S	.	.	S	Bend	trans	-149	151.2	179.2	0	0	0	0	0	110.9	K36 P37 W39 V120	K36-A124 HydrophobicContact CB-CB 4.15Å; P37-A124 HydrophobicContact CG-CB 3.93Å; W39-A124 PolarHBondContact NE1-O 3.06Å; V120-A124 PolarHBondContact O-N 3.31Å
125	P	71.5	Confident	68.9	Low	71 Å²	71	70.5 Å²	70.5	46%	0.461	35%	0.353	S	S	.	.			trans	-68.5	146.5	169.3	28.9	-33.7	0	0	0	111.2	L50 M129	L50-P125 HydrophobicContact CD2-CB 4.03Å; P125-M129 HydrophobicContact CB-SD 4.15Å
126	P	71.7	Confident	66.9	Low	6 Å²	6	67.9 Å²	67.9	4%	0.039	35%	0.351	C	S	.	.			trans	-66.2	149.8	172.6	27.6	-30.2	0	0	0	111	W39 N128 M129	W39-P126 HydrophobicContact CD2-CB 3.95Å; W39-P126 HydrophobicContact CE3-CB 4.01Å; W39-P126 HydrophobicContact CH2-CB 3.62Å; W39-P126 HydrophobicContact CH2-CG 3.72Å; W39-P126 HydrophobicContact CZ2-CB 3.57Å; W39-P126 HydrophobicContact CZ2-CG 3.71Å; W39-P126 HydrophobicContact CZ3-CB 3.86Å; W39-P126 HydrophobicContact CZ3-CG 4.4Å; W39-P126 CarbonylContact O-C 3.57Å; W39-P126 VanDerWaalsContact O-CA 3.22Å; W39-P126 WeakPolarHBondContact O-CA 3.24Å; P126-N128 PolarHBondContact O-N 2.83Å; P126-M129 WeakPolarHBondContact CD-SD 3.46Å; P126-M129 HydrophobicContact CG-SD 3.58Å; P126-M129 VanDerWaalsContact CG-SD 3.58Å
127	I	72.1	Confident	65.1	Low	124 Å²	124	75 Å²	75	64%	0.636	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-20.8	172.5	65.3	173.2	0	0	0	112.6	K38 W39 K40	K38-I127 HydrophobicContact CB-CG2 4.46Å; W39-I127 WeakPolarHBondContact O-CG1 3.43Å; W39-I127 PolarHBondContact O-N 3.14Å; K40-I127 HydrophobicContact CB-CD1 3.98Å; K40-I127 HydrophobicContact CB-CG1 3.7Å
128	N	66	Low	63.2	Low	74 Å²	74	76.9 Å²	76.9	40%	0.396	40%	0.403	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.9	42.8	-176.5	-160.3	31.2	0	0	0	111.4	K40 P44 P126	K40-N128 HydrophobicContact CB-CB 4.39Å; P44-N128 WeakPolarHBondContact CA-O 3.45Å; P126-N128 PolarHBondContact O-N 2.83Å
129	M	59.3	Low	61.3	Low	51 Å²	51	84 Å²	84	25%	0.251	44%	0.44	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.1	126.5	177.2	-147.6	87.8	174	0	0	109.8	D47 L50 P125 P126 E131	D47-M129 HydrophobicContact CB-CE 3.66Å; D47-M129 VanDerWaalsContact N-CE 3.31Å; L50-M129 HydrophobicContact CB-CE 3.7Å; L50-M129 HydrophobicContact CD2-CE 3.62Å; L50-M129 HydrophobicContact CD2-SD 4.25Å; L50-M129 HydrophobicContact CG-CE 4.29Å; P125-M129 HydrophobicContact CB-SD 4.15Å; P126-M129 WeakPolarHBondContact CD-SD 3.46Å; P126-M129 HydrophobicContact CG-SD 3.58Å; P126-M129 VanDerWaalsContact CG-SD 3.58Å; M129-E131 PolarHBondContact O-N 3.29Å
130	I	58.9	Low	59.4	Low	63 Å²	63	89.4 Å²	89.4	32%	0.323	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	113.3	163.9	-45	177.2	0	0	0	105.9	P44 M45 T46 E132	P44-I130 HydrophobicContact CB-CD1 3.65Å; P44-I130 HydrophobicContact CB-CG1 3.49Å; P44-I130 VanDerWaalsContact CB-CG1 3.49Å; P44-I130 HydrophobicContact CG-CD1 3.89Å; P44-I130 HydrophobicContact CG-CG1 4.28Å; P44-I130 VanDerWaalsContact O-CD1 3.32Å; P44-I130 WeakPolarHBondContact O-CD1 3.43Å; M45-I130 PolarHBondContact O-N 3.11Å; T46-I130 WeakPolarHBondContact CA-O 3.3Å; I130-E132 HydrophobicContact CB-CG 4.41Å; I130-E132 HydrophobicContact CG2-CB 4.22Å; I130-E132 HydrophobicContact CG2-CG 3.65Å; I130-E132 PolarHBondContact O-N 2.85Å
131	E	51.5	Low	57.8	Low	177 Å²	177	94.6 Å²	94.6	83%	0.827	49%	0.492	S	S	*	.			trans	-73.8	60.9	165.8	-150.9	153.7	88	0	0	108.4	M129 K133	M129-E131 PolarHBondContact O-N 3.29Å; E131-K133 PolarHBondContact O-N 3.44Å
132	E	44.5	Very low	55.9	Low	117 Å²	117	97.7 Å²	97.7	55%	0.547	52%	0.517	S	S	.	.			trans	-66.8	94.8	164.5	-96.1	171.9	107.2	0	0	105.2	T46 I130 S134	T46-E132 HydrophobicContact CG2-CB 3.49Å; T46-E132 VanDerWaalsContact CG2-CB 3.49Å; T46-E132 HydrophobicContact CG2-CG 4.11Å; T46-E132 WeakPolarHBondContact CG2-OE2 3.49Å; I130-E132 HydrophobicContact CB-CG 4.41Å; I130-E132 HydrophobicContact CG2-CB 4.22Å; I130-E132 HydrophobicContact CG2-CG 3.65Å; I130-E132 PolarHBondContact O-N 2.85Å; E132-S134 PolarHBondContact O-N 2.85Å
133	K	44.2	Very low	53.8	Low	183 Å²	183	106.4 Å²	106.4	80%	0.796	56%	0.558	S	S	*	*			trans	-51.2	94	154	-67.5	176.7	173.4	178	0	105.7	E131 D135	E131-K133 PolarHBondContact O-N 3.44Å; K133-D135 PolarHBondContact O-N 3.47Å
134	S	40.7	Very low	51.9	Low	110 Å²	110	112.1 Å²	112.1	77%	0.769	60%	0.595	S	S	*	*			trans	-68.5	78.6	173.3	52.6	0	0	0	0	107.9	E132	E132-S134 PolarHBondContact O-N 2.85Å
135	D	45.2	Very low	50.5	Low	78 Å²	78	117.1 Å²	117.1	42%	0.417	63%	0.628	S	S	.	*			trans	-48.8	133.8	136.9	-118.5	-109.9	0	0	0	108.2	K133 Y150	K133-D135 PolarHBondContact O-N 3.47Å; D135-Y150 HydrophobicContact CB-CE1 4.34Å; D135-Y150 WeakPolarHBondContact OD1-CD1 3.17Å; D135-Y150 WeakPolarHBondContact OD1-CE1 3.36Å; D135-Y150 VanDerWaalsContact OD1-CZ 3.25Å; D135-Y150 WeakPolarHBondContact OD2-CD1 3.44Å; D135-Y150 WeakPolarHBondContact OD2-CE1 3.13Å
136	I	45.4	Very low	49.5	Very low	120 Å²	120	119.9 Å²	119.9	62%	0.615	65%	0.646	S	S	*	*	S	Bend	trans	97.8	91.4	170.8	-60.4	158	0	0	0	115.2
137	E	50	Low	48.4	Very low	150 Å²	150	125.8 Å²	125.8	70%	0.701	68%	0.677	S	S	*	*				56.7	93.8	127.7	-63.1	168	78.3	0	0	117.4
138	T	44.4	Very low	47.3	Very low	148 Å²	148	125.2 Å²	125.2	91%	0.908	68%	0.684	S	S	*	*			trans	-131.5	108.7	132.4	-41.8	0	0	0	0	108.5	D140	T138-D140 PolarHBondContact O-N 3.27Å
139	L	46.1	Very low	46.4	Very low	155 Å²	155	122.3 Å²	122.3	81%	0.812	67%	0.672	S	S	*	*			trans	-56.1	111.4	-179.2	-60.2	156.2	0	0	0	110.6
140	D	44	Very low	46.5	Very low	148 Å²	148	125.3 Å²	125.3	79%	0.791	68%	0.681	S	S	*	*			trans	-175	102.9	134.8	-160.7	-122.6	0	0	0	108.1	T138	T138-D140 PolarHBondContact O-N 3.27Å
141	I	46.2	Very low	46.9	Very low	157 Å²	157	128.2 Å²	128.2	81%	0.805	69%	0.693	S	S	*	*	S	Bend	trans	169.9	121.2	151.1	-79.3	144	0	0	0	106.2
142	P	40.8	Very low	47.6	Very low	111 Å²	111	122.1 Å²	122.1	72%	0.721	67%	0.67	S	S	*	*			trans	-76	135.9	-175	30.2	-32.8	0	0	0	112.9
143	E	35.2	Very low	49.1	Very low	184 Å²	184	121 Å²	121	86%	0.86	66%	0.664	S	S	*	*			trans	24.4	118.3	154.7	-60.1	177.1	76.3	0	0	118.3
144	P	38.6	Very low	50.8	Low	124 Å²	124	112.4 Å²	112.4	81%	0.805	63%	0.627	S	S	*	*				-156.7	-172.1	63.1	39.2	-17.1	0	0	0	115.7
145	P	43.6	Very low	52.9	Low	108 Å²	108	111.5 Å²	111.5	70%	0.701	61%	0.607	S	S	*	*			cis	-104.6	159.8	-41.6	37.7	-24.9	0	0	0	112.5	N147	P145-N147 PolarHBondContact O-N 3.21Å
146	P	51.4	Low	54.8	Low	130 Å²	130	107.8 Å²	107.8	84%	0.844	59%	0.587	S	S	*	*			trans	-86.1	80.9	-170.8	35.3	-34.6	0	0	0	112
147	N	48.5	Very low	56.9	Low	130 Å²	130	106.5 Å²	106.5	70%	0.695	57%	0.574	S	S	*	*			trans	-138.5	22.3	169.2	-154	32.7	0	0	0	115.7	P145 G149	P145-N147 PolarHBondContact O-N 3.21Å; N147-G149 VanDerWaalsContact C-N 3.31Å; N147-G149 PolarHBondContact O-N 3.42Å
148	S	48.1	Very low	58.5	Low	111 Å²	111	99.4 Å²	99.4	78%	0.776	54%	0.541	S	S	*	.			trans	-94.7	69.7	162.3	-72.5	0	0	0	0	108.7	Y150	S148-Y150 PolarHBondContact O-N 2.92Å
149	G	49	Very low	60.4	Low	14 Å²	14	95.3 Å²	95.3	14%	0.144	52%	0.519	C	S	.	.			trans	-59.4	121	168.9	0	0	0	0	0	108.9	N147 E151 S170	N147-G149 VanDerWaalsContact C-N 3.31Å; N147-G149 PolarHBondContact O-N 3.42Å; G149-E151 PolarHBondContact O-N 2.9Å; G149-S170 WeakPolarHBondContact CA-OG 3.43Å
150	Y	61.3	Low	62	Low	114 Å²	114	91.4 Å²	91.4	45%	0.447	50%	0.502	S	S	.	.			trans	-60.5	128	-178.3	-62.3	-62	0	0	0	110.6	D135 S148 C152 R169 S170	D135-Y150 HydrophobicContact CB-CE1 4.34Å; D135-Y150 WeakPolarHBondContact OD1-CD1 3.17Å; D135-Y150 WeakPolarHBondContact OD1-CE1 3.36Å; D135-Y150 VanDerWaalsContact OD1-CZ 3.25Å; D135-Y150 WeakPolarHBondContact OD2-CD1 3.44Å; D135-Y150 WeakPolarHBondContact OD2-CE1 3.13Å; S148-Y150 PolarHBondContact O-N 2.92Å; Y150-C152 PolarHBondContact O-N 3.4Å; Y150-R169 CarbonylContact O-C 3.59Å; Y150-R169 WeakPolarHBondContact O-CA 3.43Å; Y150-S170 PolarHBondContact N-OG 3.38Å; Y150-S170 PolarHBondContact O-N 3.31Å
151	E	66.1	Low	63.6	Low	123 Å²	123	86.8 Å²	86.8	58%	0.575	49%	0.489	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	97.6	-180	-74.5	-179.8	140.1	0	0	109.8	G149 V167 V168 R169	G149-E151 PolarHBondContact O-N 2.9Å; E151-V167 HydrophobicContact CB-CG1 3.81Å; E151-V167 HydrophobicContact CG-CG1 4.25Å; E151-V168 CarbonylContact C-O 3.57Å; E151-V168 WeakPolarHBondContact CA-O 3.36Å; E151-R169 HydrophobicContact CG-CG 3.68Å; E151-R169 IonicContact OE1-CZ 3.83Å; E151-R169 IonicContact OE1-NE 3.03Å; E151-R169 PolarHBondContact OE1-NE 2.88Å; E151-R169 VanDerWaalsContact OE1-NE 3.16Å; E151-R169 IonicContact OE1-NH2 2.73Å; E151-R169 PolarHBondContact OE1-NH2 3.29Å
152	C	66.9	Low	65.3	Low	49 Å²	49	84.7 Å²	84.7	33%	0.331	47%	0.474	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	141.2	173.5	-70.8	0	0	0	0	111.6	Y150 V168 F207	Y150-C152 PolarHBondContact O-N 3.4Å; C152-V168 WeakPolarHBondContact CA-O 3.43Å; C152-V168 HydrophobicContact CB-CG2 4.31Å; C152-V168 PolarHBondContact N-O 2.77Å; C152-V168 WeakPolarHBondContact O-CG2 3.42Å; C152-V168 PolarHBondContact O-N 2.75Å; C152-F207 HydrophobicContact CB-CE1 3.49Å; C152-F207 VanDerWaalsContact CB-CE1 3.49Å; C152-F207 HydrophobicContact CB-CZ 3.52Å
153	Q	76.6	Confident	67.3	Low	94 Å²	94	84.6 Å²	84.6	44%	0.439	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	115.2	176.3	-159.5	175.2	87.7	0	0	109.9	L166 V167	Q153-L166 CarbonylContact C-O 3.52Å; Q153-L166 WeakPolarHBondContact CA-O 3.31Å; Q153-V167 HydrophobicContact CG-CG2 4.41Å
154	L	79.9	Confident	69.6	Low	3 Å²	3	77.9 Å²	77.9	2%	0.016	44%	0.437	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	132.6	-179.5	-176.8	64.6	0	0	0	111.5	L156 L166 V168 M177 W194 F207 I212 V218	L154-L156 HydrophobicContact CD2-CD2 3.66Å; L154-L156 HydrophobicContact CG-CD2 3.86Å; L154-L166 PolarHBondContact N-O 2.71Å; L154-L166 PolarHBondContact O-N 3.07Å; L154-V168 HydrophobicContact CB-CG1 4.45Å; L154-V168 HydrophobicContact CB-CG2 4.14Å; L154-M177 HydrophobicContact CD2-CE 3.1Å; L154-W194 HydrophobicContact CD2-CZ3 3.84Å; L154-F207 HydrophobicContact CD1-CE2 4.39Å; L154-I212 HydrophobicContact CD1-CB 4.38Å; L154-I212 HydrophobicContact CD1-CD1 4.03Å; L154-I212 HydrophobicContact CD1-CG2 3.63Å; L154-V218 HydrophobicContact CD1-CG2 3.78Å; L154-V218 HydrophobicContact CD2-CG2 4.37Å; L154-V218 HydrophobicContact CG-CG2 4.4Å
155	R	82.9	Confident	71.7	Confident	90 Å²	90	77.7 Å²	77.7	34%	0.34	42%	0.423	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	127	173.9	-62.2	180	-168.6	164.4	8.8	110.1	K165 D215 V217 V218	R155-K165 HydrophobicContact CG-CG 4.02Å; R155-D215 IonicContact CZ-OD2 3.79Å; R155-D215 IonicContact NH1-OD1 2.93Å; R155-D215 IonicContact NH1-OD2 3.5Å; R155-D215 PolarHBondContact NH1-OD2 3.39Å; R155-D215 IonicContact NH2-OD2 3.09Å; R155-D215 PolarHBondContact NH2-OD2 3.47Å; R155-V217 HydrophobicContact CB-CB 4.37Å; R155-V217 HydrophobicContact CB-CG2 4.34Å; R155-V217 CarbonylContact O-C 3.51Å; R155-V217 WeakPolarHBondContact O-CA 3.4Å; R155-V218 PolarHBondContact O-N 2.95Å
156	L	86.8	Confident	73.5	Confident	0 Å²	0	73.1 Å²	73.1	0%	0	39%	0.393	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	131.6	178.3	-53.5	176.7	0	0	0	108.6	L154 D163 L164 L166 L181 W194 V218 V220	L154-L156 HydrophobicContact CD2-CD2 3.66Å; L154-L156 HydrophobicContact CG-CD2 3.86Å; L156-D163 CarbonylContact O-C 3.59Å; L156-D163 VanDerWaalsContact O-CA 3.29Å; L156-D163 WeakPolarHBondContact O-CA 3.34Å; L156-L164 HydrophobicContact CB-CB 4.46Å; L156-L164 PolarHBondContact N-O 2.95Å; L156-L164 PolarHBondContact O-N 3.21Å; L156-L166 HydrophobicContact CD1-CB 4.02Å; L156-L166 HydrophobicContact CD1-CD2 4.17Å; L156-L181 HydrophobicContact CD1-CB 4.32Å; L156-L181 HydrophobicContact CD1-CD1 3.98Å; L156-L181 HydrophobicContact CD1-CD2 4.25Å; L156-L181 HydrophobicContact CD1-CG 4.43Å; L156-W194 HydrophobicContact CD1-CH2 3.44Å; L156-W194 VanDerWaalsContact CD1-CH2 3.44Å; L156-W194 HydrophobicContact CD1-CZ2 3.9Å; L156-W194 HydrophobicContact CD1-CZ3 4.18Å; L156-W194 HydrophobicContact CD2-CE3 4.01Å; L156-W194 HydrophobicContact CD2-CH2 3.45Å; L156-W194 VanDerWaalsContact CD2-CH2 3.45Å; L156-W194 HydrophobicContact CD2-CZ2 4.31Å; L156-W194 HydrophobicContact CD2-CZ3 3.27Å; L156-W194 HydrophobicContact CG-CH2 4.1Å; L156-W194 HydrophobicContact CG-CZ3 4.37Å; L156-V218 CarbonylContact C-O 3.43Å; L156-V218 WeakPolarHBondContact CA-O 3.14Å; L156-V218 HydrophobicContact CD2-CB 3.87Å; L156-V218 HydrophobicContact CD2-CG1 4.31Å; L156-V220 HydrophobicContact CB-CG2 4.28Å; L156-V220 HydrophobicContact CD2-CG2 4.22Å
157	R	87.5	Confident	74.7	Confident	93 Å²	93	70.1 Å²	70.1	35%	0.351	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	108.4	172.2	177.8	73.3	69.9	-167.2	-7.1	108.1	G161 D163 V217 V218 Q219 V220	R157-G161 PolarHBondContact NH1-O 2.99Å; R157-D163 IonicContact CZ-OD1 2.77Å; R157-D163 IonicContact NH1-OD1 3.92Å; R157-D163 PolarHBondContact NH1-OD1 2.89Å; R157-D163 IonicContact NH2-OD1 2.85Å; R157-V217 HydrophobicContact CB-CG2 3.64Å; R157-V218 PolarHBondContact N-O 2.95Å; R157-Q219 CarbonylContact O-C 3.55Å; R157-Q219 WeakPolarHBondContact O-CA 3.35Å; R157-V220 PolarHBondContact O-N 3.18Å
158	L	85.5	Confident	76	Confident	1 Å²	1	64 Å²	64	1%	0.005	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.9	149.5	174.7	-60.4	-179.8	0	0	0	110.5	T160 G161 K162 L181 E185 V220 V222	L158-T160 VanDerWaalsContact CB-OG1 3.24Å; L158-T160 WeakPolarHBondContact CB-OG1 3.32Å; L158-T160 PolarHBondContact O-N 3.44Å; L158-T160 VanDerWaalsContact O-N 3.14Å; L158-G161 PolarHBondContact O-N 2.97Å; L158-K162 WeakPolarHBondContact CB-O 3.5Å; L158-K162 HydrophobicContact CD1-CB 4.25Å; L158-K162 PolarHBondContact N-O 3.38Å; L158-L181 HydrophobicContact CD2-CD1 4.16Å; L158-L181 HydrophobicContact CD2-CD2 3.96Å; L158-E185 HydrophobicContact CD1-CG 3.82Å; L158-E185 WeakPolarHBondContact CD1-OE2 3.44Å; L158-V220 CarbonylContact C-O 3.58Å; L158-V220 VanDerWaalsContact CA-O 3.31Å; L158-V220 WeakPolarHBondContact CA-O 3.39Å; L158-V220 HydrophobicContact CD2-CB 3.91Å; L158-V220 HydrophobicContact CD2-CG1 4.18Å; L158-V222 HydrophobicContact CD2-CG1 4.16Å
159	S	82.5	Confident	77.1	Confident	62 Å²	62	63.8 Å²	63.8	43%	0.434	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-15.8	171.5	59.2	0	0	0	0	113.2	G161 V220 V222	S159-G161 PolarHBondContact O-N 3.34Å; S159-V220 PolarHBondContact N-O 2.89Å; S159-V222 PolarHBondContact OG-N 3.48Å
160	T	80	Confident	77.9	Confident	74 Å²	74	64 Å²	64	45%	0.454	32%	0.321	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.6	-6.7	170.7	59.3	0	0	0	0	112.9	L158 K162 V222	L158-T160 VanDerWaalsContact CB-OG1 3.24Å; L158-T160 WeakPolarHBondContact CB-OG1 3.32Å; L158-T160 PolarHBondContact O-N 3.44Å; L158-T160 VanDerWaalsContact O-N 3.14Å; T160-K162 VanDerWaalsContact C-N 3.32Å; T160-V222 HydrophobicContact CG2-CG2 4.03Å
161	G	78.3	Confident	78.4	Confident	50 Å²	50	62 Å²	62	52%	0.515	32%	0.321	S	S	.	.	S	Bend	trans	90.9	-13.8	-176.1	0	0	0	0	0	113.8	R157 L158 S159	R157-G161 PolarHBondContact NH1-O 2.99Å; L158-G161 PolarHBondContact O-N 2.97Å; S159-G161 PolarHBondContact O-N 3.34Å
162	K	82.1	Confident	78.9	Confident	113 Å²	113	57 Å²	57	49%	0.491	30%	0.298	S	S	.	.			trans	-73.1	136.2	178.3	-65.3	-178.1	-179.9	176.6	0	111.9	L158 T160 E185	L158-K162 WeakPolarHBondContact CB-O 3.5Å; L158-K162 HydrophobicContact CD1-CB 4.25Å; L158-K162 PolarHBondContact N-O 3.38Å; T160-K162 VanDerWaalsContact C-N 3.32Å; K162-E185 IonicContact NZ-OE1 3.22Å; K162-E185 PolarHBondContact NZ-OE1 2.78Å; K162-E185 IonicContact NZ-OE2 3.63Å
163	D	82.7	Confident	79.6	Confident	110 Å²	110	56.6 Å²	56.6	59%	0.588	29%	0.294	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-94.9	141.1	163.9	47.4	-88.2	0	0	0	111.6	L156 R157	L156-D163 CarbonylContact O-C 3.59Å; L156-D163 VanDerWaalsContact O-CA 3.29Å; L156-D163 WeakPolarHBondContact O-CA 3.34Å; R157-D163 IonicContact CZ-OD1 2.77Å; R157-D163 IonicContact NH1-OD1 3.92Å; R157-D163 PolarHBondContact NH1-OD1 2.89Å; R157-D163 IonicContact NH2-OD1 2.85Å
164	L	83.3	Confident	79.8	Confident	43 Å²	43	52.1 Å²	52.1	23%	0.225	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.4	137	177.5	-169.8	80.7	0	0	0	109.2	L156 L181 A184 E185	L156-L164 HydrophobicContact CB-CB 4.46Å; L156-L164 PolarHBondContact N-O 2.95Å; L156-L164 PolarHBondContact O-N 3.21Å; L164-L181 HydrophobicContact CD2-CD1 3.3Å; L164-A184 HydrophobicContact CD2-CB 3.7Å; L164-E185 HydrophobicContact CD2-CG 4.47Å
165	K	83.5	Confident	79.9	Confident	119 Å²	119	56.3 Å²	56.3	52%	0.517	29%	0.291	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.7	129.3	170.8	-86	178.6	163.3	-162.4	0	110.5	R155	R155-K165 HydrophobicContact CG-CG 4.02Å
166	L	80.5	Confident	79.9	Confident	13 Å²	13	54.9 Å²	54.9	7%	0.068	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	135.5	178.9	-162.2	72	0	0	0	110.3	Q153 L154 L156 V168 M177 R180 W194	Q153-L166 CarbonylContact C-O 3.52Å; Q153-L166 WeakPolarHBondContact CA-O 3.31Å; L154-L166 PolarHBondContact N-O 2.71Å; L154-L166 PolarHBondContact O-N 3.07Å; L156-L166 HydrophobicContact CD1-CB 4.02Å; L156-L166 HydrophobicContact CD1-CD2 4.17Å; L166-V168 HydrophobicContact CB-CG1 4.38Å; L166-V168 HydrophobicContact CD2-CG1 3.57Å; L166-V168 HydrophobicContact CG-CG1 3.96Å; L166-M177 HydrophobicContact CD2-CB 4.29Å; L166-M177 WeakPolarHBondContact CD2-O 3.34Å; L166-R180 HydrophobicContact CD1-CB 3.5Å; L166-R180 HydrophobicContact CD1-CG 4.47Å; L166-R180 HydrophobicContact CD2-CB 3.57Å; L166-R180 HydrophobicContact CD2-CG 4.43Å; L166-R180 HydrophobicContact CG-CB 3.93Å; L166-W194 HydrophobicContact CD2-CH2 4.42Å
167	V	76.8	Confident	79.8	Confident	66 Å²	66	54.9 Å²	54.9	40%	0.4	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.6	123.2	171.2	-176.2	0	0	0	0	108.3	E151 Q153	E151-V167 HydrophobicContact CB-CG1 3.81Å; E151-V167 HydrophobicContact CG-CG1 4.25Å; Q153-V167 HydrophobicContact CG-CG2 4.41Å
168	V	74.8	Confident	79.6	Confident	1 Å²	1	51.9 Å²	51.9	1%	0.006	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.2	146	-174.5	-56.7	0	0	0	0	109.2	E151 C152 L154 L166 M177 F207	E151-V168 CarbonylContact C-O 3.57Å; E151-V168 WeakPolarHBondContact CA-O 3.36Å; C152-V168 WeakPolarHBondContact CA-O 3.43Å; C152-V168 HydrophobicContact CB-CG2 4.31Å; C152-V168 PolarHBondContact N-O 2.77Å; C152-V168 WeakPolarHBondContact O-CG2 3.42Å; C152-V168 PolarHBondContact O-N 2.75Å; L154-V168 HydrophobicContact CB-CG1 4.45Å; L154-V168 HydrophobicContact CB-CG2 4.14Å; L166-V168 HydrophobicContact CB-CG1 4.38Å; L166-V168 HydrophobicContact CD2-CG1 3.57Å; L166-V168 HydrophobicContact CG-CG1 3.96Å; V168-M177 HydrophobicContact CB-CG 4.25Å; V168-M177 HydrophobicContact CG1-CB 4.46Å; V168-M177 HydrophobicContact CG1-CG 3.72Å; V168-F207 HydrophobicContact CG2-CD1 4.36Å; V168-F207 HydrophobicContact CG2-CD2 3.57Å; V168-F207 HydrophobicContact CG2-CE1 4.23Å; V168-F207 HydrophobicContact CG2-CE2 3.42Å; V168-F207 VanDerWaalsContact CG2-CE2 3.42Å; V168-F207 HydrophobicContact CG2-CG 4.05Å; V168-F207 HydrophobicContact CG2-CZ 3.77Å
169	R	72.4	Confident	79.5	Confident	108 Å²	108	57.4 Å²	57.4	41%	0.408	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	156.4	177.5	-66	173	-178.5	-178	-3.3	110.9	Y150 E151 T171 D172	Y150-R169 CarbonylContact O-C 3.59Å; Y150-R169 WeakPolarHBondContact O-CA 3.43Å; E151-R169 HydrophobicContact CG-CG 3.68Å; E151-R169 IonicContact OE1-CZ 3.83Å; E151-R169 IonicContact OE1-NE 3.03Å; E151-R169 PolarHBondContact OE1-NE 2.88Å; E151-R169 VanDerWaalsContact OE1-NE 3.16Å; E151-R169 IonicContact OE1-NH2 2.73Å; E151-R169 PolarHBondContact OE1-NH2 3.29Å; R169-T171 PolarHBondContact O-N 3.1Å; R169-D172 HydrophobicContact CB-CB 4.4Å; R169-D172 WeakPolarHBondContact CB-OD2 3.33Å; R169-D172 PolarHBondContact N-OD2 2.94Å; R169-D172 WeakPolarHBondContact O-CB 3.48Å; R169-D172 PolarHBondContact O-N 3.18Å
170	S	65.6	Low	79.6	Confident	18 Å²	18	60.5 Å²	60.5	13%	0.126	30%	0.3	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-35.3	170.6	58.3	0	0	0	0	112.3	G149 Y150 D172	G149-S170 WeakPolarHBondContact CA-OG 3.43Å; Y150-S170 PolarHBondContact N-OG 3.38Å; Y150-S170 PolarHBondContact O-N 3.31Å; S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 3.36Å
171	T	70.8	Confident	79.7	Confident	72 Å²	72	57 Å²	57	44%	0.442	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-77.4	-10.8	176.4	58.1	0	0	0	0	114.1	R169	R169-T171 PolarHBondContact O-N 3.1Å
172	D	77.1	Confident	79.9	Confident	19 Å²	19	58.3 Å²	58.3	10%	0.102	27%	0.272	C	S	.	.			trans	-72.9	142.1	178.2	-83.8	-50.7	0	0	0	111.2	R169 S170 H176 F207	R169-D172 HydrophobicContact CB-CB 4.4Å; R169-D172 WeakPolarHBondContact CB-OD2 3.33Å; R169-D172 PolarHBondContact N-OD2 2.94Å; R169-D172 WeakPolarHBondContact O-CB 3.48Å; R169-D172 PolarHBondContact O-N 3.18Å; S170-D172 VanDerWaalsContact C-N 3.3Å; S170-D172 PolarHBondContact O-N 3.36Å; D172-H176 HydrophobicContact CB-CB 3.91Å; D172-H176 WeakPolarHBondContact OD1-CB 3.48Å; D172-H176 IonicContact OD1-CD2 3.68Å; D172-H176 IonicContact OD1-CE1 2.82Å; D172-H176 IonicContact OD1-CG 3.61Å; D172-H176 IonicContact OD1-ND1 3.85Å; D172-H176 PolarHBondContact OD1-ND1 3.45Å; D172-H176 VanDerWaalsContact OD1-ND1 3.09Å; D172-F207 VanDerWaalsContact O-CB 3.28Å; D172-F207 WeakPolarHBondContact O-CB 3.49Å; D172-F207 PolarHBondContact O-N 2.83Å
173	T	81.1	Confident	79.7	Confident	39 Å²	39	57 Å²	57	24%	0.239	28%	0.282	C	S	.	.	B	Isolated β-bridge	trans	-91.7	163.4	173.7	55.1	0	0	0	0	110.5	F175 H176 M177 K206	T173-F175 PolarHBondContact O-N 3.3Å; T173-F175 VanDerWaalsContact O-N 3.11Å; T173-F175 WeakPolarHBondContact OG1-CB 3.39Å; T173-H176 WeakPolarHBondContact O-CB 3.16Å; T173-H176 PolarHBondContact O-N 3.32Å; T173-H176 PolarHBondContact OG1-N 2.94Å; T173-M177 WeakPolarHBondContact O-CG 3.27Å; T173-M177 PolarHBondContact O-N 2.97Å; T173-M177 VanDerWaalsContact O-N 3.1Å; T173-K206 HydrophobicContact CG2-CG 4.26Å
174	V	81.9	Confident	79.6	Confident	0 Å²	0	54.5 Å²	54.5	0%	0	28%	0.277	C	S	.	.	H	α-helix	trans	-53.7	-31.5	170.1	171.8	0	0	0	0	111.5	M177 K178 L201 T202 M205 L210	V174-M177 HydrophobicContact CG2-SD 4.37Å; V174-M177 WeakPolarHBondContact O-CB 3.25Å; V174-M177 PolarHBondContact O-N 2.89Å; V174-K178 HydrophobicContact CG1-CD 4.36Å; V174-K178 HydrophobicContact CG1-CG 4.43Å; V174-K178 WeakPolarHBondContact O-CG 3.18Å; V174-K178 PolarHBondContact O-N 3.5Å; V174-L201 HydrophobicContact CG1-CB 4.27Å; V174-L201 HydrophobicContact CG2-CB 4.33Å; V174-T202 WeakPolarHBondContact CB-O 3.4Å; V174-M205 HydrophobicContact CG2-CB 3.97Å; V174-M205 VanDerWaalsContact CG2-O 3.31Å; V174-M205 WeakPolarHBondContact CG2-O 3.29Å; V174-M205 PolarHBondContact N-O 3.01Å; V174-L210 HydrophobicContact CG2-CD1 3.74Å
175	F	82.4	Confident	79.4	Confident	91 Å²	91	55.7 Å²	55.7	40%	0.399	28%	0.281	S	S	.	.	H	α-helix	trans	-56.9	-50.3	171.3	-171.6	-112.1	0	0	0	112.9	T173 M177 K178 R179 D203	T173-F175 PolarHBondContact O-N 3.3Å; T173-F175 VanDerWaalsContact O-N 3.11Å; T173-F175 WeakPolarHBondContact OG1-CB 3.39Å; F175-M177 VanDerWaalsContact C-N 3.27Å; F175-M177 PolarHBondContact O-N 2.88Å; F175-K178 PolarHBondContact O-N 3.32Å; F175-R179 PolarHBondContact O-N 3.06Å; F175-D203 WeakPolarHBondContact CA-OD2 3.28Å; F175-D203 WeakPolarHBondContact CB-OD2 3.37Å; F175-D203 WeakPolarHBondContact CD2-OD2 3.36Å
176	H	83.3	Confident	79	Confident	60 Å²	60	52.7 Å²	52.7	28%	0.278	28%	0.284	S	S	.	.	H	α-helix	trans	-60	-41.5	177.9	-90.6	128.5	0	0	0	111.3	D172 T173 R179 R180	D172-H176 HydrophobicContact CB-CB 3.91Å; D172-H176 WeakPolarHBondContact OD1-CB 3.48Å; D172-H176 IonicContact OD1-CD2 3.68Å; D172-H176 IonicContact OD1-CE1 2.82Å; D172-H176 IonicContact OD1-CG 3.61Å; D172-H176 IonicContact OD1-ND1 3.85Å; D172-H176 PolarHBondContact OD1-ND1 3.45Å; D172-H176 VanDerWaalsContact OD1-ND1 3.09Å; T173-H176 WeakPolarHBondContact O-CB 3.16Å; T173-H176 PolarHBondContact O-N 3.32Å; T173-H176 PolarHBondContact OG1-N 2.94Å; H176-R179 PolarHBondContact CD2-NH1 3.49Å; H176-R179 PolarHBondContact CD2-NH2 3.38Å; H176-R179 PolarHBondContact NE2-NH1 3.32Å; H176-R179 VanDerWaalsContact NE2-NH1 3.19Å; H176-R179 PolarHBondContact NE2-NH2 2.85Å; H176-R179 PolarHBondContact O-N 3.34Å; H176-R180 WeakPolarHBondContact O-CB 3.39Å; H176-R180 VanDerWaalsContact O-CG 3.24Å; H176-R180 WeakPolarHBondContact O-CG 3.29Å; H176-R180 PolarHBondContact O-N 3.47Å
177	M	83.6	Confident	78.9	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-63.3	-43.8	178.3	-58.2	167.2	48.3	0	0	111.6	L154 L166 V168 T173 V174 F175 R180 L181 W194 F207	L154-M177 HydrophobicContact CD2-CE 3.1Å; L166-M177 HydrophobicContact CD2-CB 4.29Å; L166-M177 WeakPolarHBondContact CD2-O 3.34Å; V168-M177 HydrophobicContact CB-CG 4.25Å; V168-M177 HydrophobicContact CG1-CB 4.46Å; V168-M177 HydrophobicContact CG1-CG 3.72Å; T173-M177 WeakPolarHBondContact O-CG 3.27Å; T173-M177 PolarHBondContact O-N 2.97Å; T173-M177 VanDerWaalsContact O-N 3.1Å; V174-M177 HydrophobicContact CG2-SD 4.37Å; V174-M177 WeakPolarHBondContact O-CB 3.25Å; V174-M177 PolarHBondContact O-N 2.89Å; F175-M177 VanDerWaalsContact C-N 3.27Å; F175-M177 PolarHBondContact O-N 2.88Å; M177-R180 PolarHBondContact O-N 2.82Å; M177-L181 PolarHBondContact O-N 2.92Å; M177-W194 HydrophobicContact CB-CH2 3.57Å; M177-W194 HydrophobicContact CB-CZ2 4.27Å; M177-W194 HydrophobicContact CB-CZ3 3.85Å; M177-W194 HydrophobicContact CE-CE3 4.01Å; M177-W194 HydrophobicContact CE-CH2 4.11Å; M177-W194 HydrophobicContact CE-CZ3 3.32Å; M177-F207 HydrophobicContact CE-CD2 4.18Å; M177-F207 HydrophobicContact SD-CB 4.18Å; M177-F207 HydrophobicContact SD-CD2 3.89Å
178	K	83.9	Confident	79	Confident	31 Å²	31	55.9 Å²	55.9	14%	0.135	30%	0.296	C	S	.	.	H	α-helix	trans	-61.5	-44.2	173.2	-74	177.6	174.9	-166.3	0	112.7	V174 F175 R180 L181 H182 P189 Q192 W194	V174-K178 HydrophobicContact CG1-CD 4.36Å; V174-K178 HydrophobicContact CG1-CG 4.43Å; V174-K178 WeakPolarHBondContact O-CG 3.18Å; V174-K178 PolarHBondContact O-N 3.5Å; F175-K178 PolarHBondContact O-N 3.32Å; K178-R180 VanDerWaalsContact C-N 3.31Å; K178-R180 PolarHBondContact O-N 3.43Å; K178-L181 PolarHBondContact O-N 3.2Å; K178-H182 PolarHBondContact O-N 3.34Å; K178-P189 HydrophobicContact CB-CB 3.92Å; K178-Q192 VanDerWaalsContact CA-OE1 3.28Å; K178-Q192 PolarHBondContact O-NE2 2.8Å; K178-Q192 PolarHBondContact O-OE1 3.06Å; K178-W194 HydrophobicContact CG-CD2 4.49Å; K178-W194 HydrophobicContact CG-CZ2 4.24Å
179	R	83.8	Confident	79.2	Confident	116 Å²	116	57.6 Å²	57.6	44%	0.438	31%	0.307	S	S	.	.	H	α-helix	trans	-63.4	-39.1	178.2	-170.1	171.3	77.6	-132.1	11.7	111.8	F175 H176 H182 A183	F175-R179 PolarHBondContact O-N 3.06Å; H176-R179 PolarHBondContact CD2-NH1 3.49Å; H176-R179 PolarHBondContact CD2-NH2 3.38Å; H176-R179 PolarHBondContact NE2-NH1 3.32Å; H176-R179 VanDerWaalsContact NE2-NH1 3.19Å; H176-R179 PolarHBondContact NE2-NH2 2.85Å; H176-R179 PolarHBondContact O-N 3.34Å; R179-H182 WeakPolarHBondContact O-CB 3.47Å; R179-H182 PolarHBondContact O-N 2.85Å; R179-A183 PolarHBondContact O-N 3.34Å
180	R	83.2	Confident	79.5	Confident	127 Å²	127	55.8 Å²	55.8	48%	0.479	32%	0.322	S	S	.	.	H	α-helix	trans	-66.2	-40	174.6	-75.8	-73.8	-167.8	159.9	5	111.9	L166 H176 M177 K178 A183 A184	L166-R180 HydrophobicContact CD1-CB 3.5Å; L166-R180 HydrophobicContact CD1-CG 4.47Å; L166-R180 HydrophobicContact CD2-CB 3.57Å; L166-R180 HydrophobicContact CD2-CG 4.43Å; L166-R180 HydrophobicContact CG-CB 3.93Å; H176-R180 WeakPolarHBondContact O-CB 3.39Å; H176-R180 VanDerWaalsContact O-CG 3.24Å; H176-R180 WeakPolarHBondContact O-CG 3.29Å; H176-R180 PolarHBondContact O-N 3.47Å; M177-R180 PolarHBondContact O-N 2.82Å; K178-R180 VanDerWaalsContact C-N 3.31Å; K178-R180 PolarHBondContact O-N 3.43Å; R180-A183 PolarHBondContact O-N 2.89Å; R180-A184 WeakPolarHBondContact O-CB 3.32Å; R180-A184 PolarHBondContact O-N 2.91Å
181	L	82.8	Confident	80.3	Confident	0 Å²	0	55.8 Å²	55.8	0%	0	32%	0.322	C	S	.	.	H	α-helix	trans	-64.6	-39.3	172.5	-178.9	61.8	0	0	0	112	L156 L158 L164 M177 K178 A184 E185 Q192 W194 V220	L156-L181 HydrophobicContact CD1-CB 4.32Å; L156-L181 HydrophobicContact CD1-CD1 3.98Å; L156-L181 HydrophobicContact CD1-CD2 4.25Å; L156-L181 HydrophobicContact CD1-CG 4.43Å; L158-L181 HydrophobicContact CD2-CD1 4.16Å; L158-L181 HydrophobicContact CD2-CD2 3.96Å; L164-L181 HydrophobicContact CD2-CD1 3.3Å; M177-L181 PolarHBondContact O-N 2.92Å; K178-L181 PolarHBondContact O-N 3.2Å; L181-A184 PolarHBondContact O-N 3.2Å; L181-E185 HydrophobicContact CD1-CB 4.4Å; L181-E185 PolarHBondContact O-N 2.79Å; L181-Q192 HydrophobicContact CD2-CG 4.26Å; L181-W194 HydrophobicContact CB-CZ2 3.96Å; L181-W194 HydrophobicContact CD2-CZ2 3.76Å; L181-W194 HydrophobicContact CG-CZ2 4.49Å; L181-V220 HydrophobicContact CD2-CB 4.31Å; L181-V220 HydrophobicContact CD2-CG1 3.76Å; L181-V220 HydrophobicContact CD2-CG2 4.17Å
182	H	81.6	Confident	80.9	Confident	79 Å²	79	52.5 Å²	52.5	37%	0.366	30%	0.301	S	S	.	.	H	α-helix	trans	-60.8	-42.9	172.9	172.8	-116.4	0	0	0	111.9	K178 R179 A184 G186 V187	K178-H182 PolarHBondContact O-N 3.34Å; R179-H182 WeakPolarHBondContact O-CB 3.47Å; R179-H182 PolarHBondContact O-N 2.85Å; H182-A184 VanDerWaalsContact C-N 3.26Å; H182-A184 PolarHBondContact O-N 2.92Å; H182-G186 WeakPolarHBondContact O-CA 3.4Å; H182-G186 PolarHBondContact O-N 3.36Å; H182-V187 VanDerWaalsContact CA-O 3.26Å; H182-V187 WeakPolarHBondContact CA-O 3.44Å; H182-V187 WeakPolarHBondContact CB-O 3.49Å; H182-V187 VanDerWaalsContact CD2-C 3.43Å; H182-V187 PolarHBondContact CD2-O 2.86Å
183	A	78.4	Confident	81.3	Confident	85 Å²	85	59.4 Å²	59.4	70%	0.702	33%	0.326	S	S	*	.	H	α-helix	trans	-65.2	-29.6	175.3	0	0	0	0	0	113	R179 R180	R179-A183 PolarHBondContact O-N 3.34Å; R180-A183 PolarHBondContact O-N 2.89Å
184	A	80.3	Confident	81.6	Confident	58 Å²	58	57.7 Å²	57.7	48%	0.479	32%	0.315	S	S	.	.	H	α-helix	trans	-85.8	-47.5	-177.9	0	0	0	0	0	113.8	L164 R180 L181 H182	L164-A184 HydrophobicContact CD2-CB 3.7Å; R180-A184 WeakPolarHBondContact O-CB 3.32Å; R180-A184 PolarHBondContact O-N 2.91Å; L181-A184 PolarHBondContact O-N 3.2Å; H182-A184 VanDerWaalsContact C-N 3.26Å; H182-A184 PolarHBondContact O-N 2.92Å
185	E	79.2	Confident	81.8	Confident	68 Å²	68	60.7 Å²	60.7	32%	0.318	33%	0.328	S	S	.	.	H	α-helix	trans	-109.7	-2.4	-176.4	-85	-93.3	117.1	0	0	113.5	L158 K162 L164 L181 V187	L158-E185 HydrophobicContact CD1-CG 3.82Å; L158-E185 WeakPolarHBondContact CD1-OE2 3.44Å; K162-E185 IonicContact NZ-OE1 3.22Å; K162-E185 PolarHBondContact NZ-OE1 2.78Å; K162-E185 IonicContact NZ-OE2 3.63Å; L164-E185 HydrophobicContact CD2-CG 4.47Å; L181-E185 HydrophobicContact CD1-CB 4.4Å; L181-E185 PolarHBondContact O-N 2.79Å; E185-V187 HydrophobicContact CB-CG2 4.04Å; E185-V187 PolarHBondContact O-N 2.78Å
186	G	75.2	Confident	81.9	Confident	56 Å²	56	57.8 Å²	57.8	58%	0.577	32%	0.316	S	S	*	.			trans	73.7	10.1	-178.8	0	0	0	0	0	114.4	H182	H182-G186 WeakPolarHBondContact O-CA 3.4Å; H182-G186 PolarHBondContact O-N 3.36Å
187	V	78.2	Confident	81.6	Confident	27 Å²	27	58.5 Å²	58.5	16%	0.164	33%	0.327	C	S	.	.			trans	-84.7	122.5	-176.8	-174.4	0	0	0	0	110.4	H182 E185 Q192 V222	H182-V187 VanDerWaalsContact CA-O 3.26Å; H182-V187 WeakPolarHBondContact CA-O 3.44Å; H182-V187 WeakPolarHBondContact CB-O 3.49Å; H182-V187 VanDerWaalsContact CD2-C 3.43Å; H182-V187 PolarHBondContact CD2-O 2.86Å; E185-V187 HydrophobicContact CB-CG2 4.04Å; E185-V187 PolarHBondContact O-N 2.78Å; V187-Q192 HydrophobicContact CB-CG 4.12Å; V187-Q192 HydrophobicContact CG1-CG 3.57Å; V187-Q192 PolarHBondContact O-NE2 2.84Å; V187-V222 HydrophobicContact CB-CG1 4.4Å; V187-V222 HydrophobicContact CG1-CB 3.94Å; V187-V222 HydrophobicContact CG1-CG1 3.68Å; V187-V222 HydrophobicContact CG2-CG1 4.15Å
188	E	79.6	Confident	81.3	Confident	118 Å²	118	62 Å²	62	55%	0.551	36%	0.363	S	S	*	.			trans	-58.4	133.2	-177.7	-154.9	-175.8	97.7	0	0	112.1	G190 S191 Q192	E188-G190 PolarHBondContact O-N 2.87Å; E188-G190 VanDerWaalsContact O-N 3.11Å; E188-S191 WeakPolarHBondContact O-CA 3.46Å; E188-S191 WeakPolarHBondContact O-CB 3.43Å; E188-S191 PolarHBondContact O-N 2.75Å; E188-Q192 WeakPolarHBondContact O-CG 3.21Å; E188-Q192 PolarHBondContact O-N 3.15Å
189	P	78.1	Confident	81.3	Confident	38 Å²	38	69.8 Å²	69.8	25%	0.247	39%	0.392	C	S	.	.	T	Hydrogen-bonded Turn	trans	-60.6	-24.2	-175.4	24.3	-35.9	0	0	0	114.1	K178 S191	K178-P189 HydrophobicContact CB-CB 3.92Å; P189-S191 VanDerWaalsContact C-N 3.33Å
190	G	79.9	Confident	81.4	Confident	69 Å²	69	68.2 Å²	68.2	71%	0.711	40%	0.397	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.1	-27	173.2	0	0	0	0	0	113.6	E188	E188-G190 PolarHBondContact O-N 2.87Å; E188-G190 VanDerWaalsContact O-N 3.11Å
191	S	82.3	Confident	81.4	Confident	19 Å²	19	62.7 Å²	62.7	13%	0.133	38%	0.377	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.8	-5.8	-179.6	-69.9	0	0	0	0	113.4	E188 P189 S223	E188-S191 WeakPolarHBondContact O-CA 3.46Å; E188-S191 WeakPolarHBondContact O-CB 3.43Å; E188-S191 PolarHBondContact O-N 2.75Å; P189-S191 VanDerWaalsContact C-N 3.33Å; S191-S223 VanDerWaalsContact CB-O 3.24Å; S191-S223 WeakPolarHBondContact CB-O 3.36Å; S191-S223 PolarHBondContact O-N 3.22Å; S191-S223 PolarHBondContact OG-O 3.48Å
192	Q	82.8	Confident	81.4	Confident	2 Å²	2	66 Å²	66	1%	0.009	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	115.6	-180	-62.8	173.9	6.8	0	0	111.6	K178 L181 V187 E188 W194 V220	K178-Q192 VanDerWaalsContact CA-OE1 3.28Å; K178-Q192 PolarHBondContact O-NE2 2.8Å; K178-Q192 PolarHBondContact O-OE1 3.06Å; L181-Q192 HydrophobicContact CD2-CG 4.26Å; V187-Q192 HydrophobicContact CB-CG 4.12Å; V187-Q192 HydrophobicContact CG1-CG 3.57Å; V187-Q192 PolarHBondContact O-NE2 2.84Å; E188-Q192 WeakPolarHBondContact O-CG 3.21Å; E188-Q192 PolarHBondContact O-N 3.15Å; Q192-W194 VanDerWaalsContact OE1-NE1 3.16Å; Q192-V220 HydrophobicContact CB-CG1 4.12Å; Q192-V220 HydrophobicContact CG-CG1 4.47Å
193	R	85	Confident	81.2	Confident	164 Å²	164	66 Å²	66	62%	0.619	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-104.2	114.4	170.6	-66.6	-172.4	-179.8	-157.5	1.1	110.5	F195 V220 I221	R193-F195 HydrophobicContact CB-CE2 3.73Å; R193-F195 HydrophobicContact CB-CZ 4.31Å; R193-V220 CarbonylContact O-C 3.54Å; R193-V220 WeakPolarHBondContact O-CA 3.46Å; R193-I221 HydrophobicContact CB-CB 4.39Å; R193-I221 PolarHBondContact N-O 3.28Å; R193-I221 PolarHBondContact O-N 3.27Å
194	W	88	Confident	81.1	Confident	3 Å²	3	70.9 Å²	70.9	1%	0.011	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.5	136.5	-176.3	-71.4	48.8	0	0	0	110.2	L154 L156 L166 M177 K178 L181 Q192 P200 L201 V218 Q219 V220	L154-W194 HydrophobicContact CD2-CZ3 3.84Å; L156-W194 HydrophobicContact CD1-CH2 3.44Å; L156-W194 VanDerWaalsContact CD1-CH2 3.44Å; L156-W194 HydrophobicContact CD1-CZ2 3.9Å; L156-W194 HydrophobicContact CD1-CZ3 4.18Å; L156-W194 HydrophobicContact CD2-CE3 4.01Å; L156-W194 HydrophobicContact CD2-CH2 3.45Å; L156-W194 VanDerWaalsContact CD2-CH2 3.45Å; L156-W194 HydrophobicContact CD2-CZ2 4.31Å; L156-W194 HydrophobicContact CD2-CZ3 3.27Å; L156-W194 HydrophobicContact CG-CH2 4.1Å; L156-W194 HydrophobicContact CG-CZ3 4.37Å; L166-W194 HydrophobicContact CD2-CH2 4.42Å; M177-W194 HydrophobicContact CB-CH2 3.57Å; M177-W194 HydrophobicContact CB-CZ2 4.27Å; M177-W194 HydrophobicContact CB-CZ3 3.85Å; M177-W194 HydrophobicContact CE-CE3 4.01Å; M177-W194 HydrophobicContact CE-CH2 4.11Å; M177-W194 HydrophobicContact CE-CZ3 3.32Å; K178-W194 HydrophobicContact CG-CD2 4.49Å; K178-W194 HydrophobicContact CG-CZ2 4.24Å; L181-W194 HydrophobicContact CB-CZ2 3.96Å; L181-W194 HydrophobicContact CD2-CZ2 3.76Å; L181-W194 HydrophobicContact CG-CZ2 4.49Å; Q192-W194 VanDerWaalsContact OE1-NE1 3.16Å; W194-P200 CarbonylContact O-C 3.45Å; W194-P200 WeakPolarHBondContact O-CA 3.23Å; W194-L201 HydrophobicContact CB-CB 3.87Å; W194-L201 HydrophobicContact CB-CD1 4.07Å; W194-L201 HydrophobicContact CB-CG 4.29Å; W194-L201 HydrophobicContact CE3-CD1 4.12Å; W194-L201 PolarHBondContact O-N 3.08Å; W194-V218 HydrophobicContact CB-CG1 4.4Å; W194-V218 HydrophobicContact CD2-CG1 4.44Å; W194-V218 HydrophobicContact CE3-CG1 3.78Å; W194-V218 HydrophobicContact CZ3-CG1 4.44Å; W194-Q219 CarbonylContact C-O 3.52Å; W194-V220 HydrophobicContact CD2-CG2 3.79Å; W194-V220 HydrophobicContact CE3-CG2 4.32Å; W194-V220 HydrophobicContact CG-CG1 4.34Å; W194-V220 HydrophobicContact CG-CG2 3.95Å; W194-V220 HydrophobicContact CZ2-CG2 4.33Å
195	F	86.3	Confident	81.1	Confident	63 Å²	63	71.4 Å²	71.4	28%	0.276	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.8	129.2	-179.5	-63.4	-93	0	0	0	110.6	R193 R199 P200 V218 Q219 I221	R193-F195 HydrophobicContact CB-CE2 3.73Å; R193-F195 HydrophobicContact CB-CZ 4.31Å; F195-R199 CarbonylContact C-O 3.48Å; F195-R199 WeakPolarHBondContact CA-O 3.41Å; F195-P200 HydrophobicContact CD1-CB 4.21Å; F195-P200 HydrophobicContact CE1-CB 4.11Å; F195-V218 WeakPolarHBondContact O-CG1 3.42Å; F195-Q219 HydrophobicContact CB-CB 4.4Å; F195-Q219 PolarHBondContact N-O 2.96Å; F195-Q219 PolarHBondContact O-N 2.9Å; F195-I221 HydrophobicContact CD2-CD1 3.94Å; F195-I221 HydrophobicContact CD2-CG1 3.97Å; F195-I221 HydrophobicContact CE2-CB 4.14Å; F195-I221 HydrophobicContact CE2-CD1 3.45Å; F195-I221 VanDerWaalsContact CE2-CD1 3.45Å; F195-I221 HydrophobicContact CE2-CG1 3.74Å; F195-I221 HydrophobicContact CZ-CD1 4.14Å
196	F	83.7	Confident	80.9	Confident	31 Å²	31	73.7 Å²	73.7	14%	0.136	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.2	125.2	-178.8	171.4	-107.8	0	0	0	110.4	G198 R199 L201 I212 Y216 V218	F196-G198 PolarHBondContact O-N 3.33Å; F196-G198 VanDerWaalsContact O-N 3.08Å; F196-R199 PolarHBondContact N-O 3.33Å; F196-R199 WeakPolarHBondContact O-CA 3.17Å; F196-R199 WeakPolarHBondContact O-CB 3.34Å; F196-R199 PolarHBondContact O-N 3.46Å; F196-L201 HydrophobicContact CB-CD1 4Å; F196-L201 HydrophobicContact CB-CD2 3.75Å; F196-L201 HydrophobicContact CB-CG 3.88Å; F196-L201 HydrophobicContact CG-CD2 4.48Å; F196-I212 HydrophobicContact CD2-CD1 4.28Å; F196-I212 HydrophobicContact CD2-CG1 4.12Å; F196-I212 HydrophobicContact CD2-CG2 4.32Å; F196-I212 HydrophobicContact CE2-CB 4.19Å; F196-I212 HydrophobicContact CE2-CD1 4.49Å; F196-I212 HydrophobicContact CE2-CG1 3.86Å; F196-I212 HydrophobicContact CE2-CG2 3.82Å; F196-I212 HydrophobicContact CZ-CG1 4.06Å; F196-Y216 AromaticContact CD2-CD1 3.52Å; F196-Y216 HydrophobicContact CD2-CD1 3.52Å; F196-Y216 AromaticContact CD2-CE1 3.39Å; F196-Y216 HydrophobicContact CD2-CE1 3.39Å; F196-Y216 HydrophobicContact CD2-CG 4.41Å; F196-Y216 AromaticContact CE2-CD1 3.3Å; F196-Y216 HydrophobicContact CE2-CD1 3.3Å; F196-Y216 HydrophobicContact CE2-CD2 4.2Å; F196-Y216 AromaticContact CE2-CE1 3.38Å; F196-Y216 HydrophobicContact CE2-CE1 3.38Å; F196-Y216 HydrophobicContact CE2-CE2 4.24Å; F196-Y216 AromaticContact CE2-CG 3.75Å; F196-Y216 HydrophobicContact CE2-CG 3.75Å; F196-Y216 AromaticContact CE2-CZ 3.86Å; F196-Y216 HydrophobicContact CZ-CE1 4.49Å; F196-V218 HydrophobicContact CD2-CG2 4.2Å
197	S	78	Confident	80.8	Confident	74 Å²	74	71.7 Å²	71.7	52%	0.517	38%	0.383	S	S	.	.	T	Hydrogen-bonded Turn	trans	47.7	34.7	-174.2	-66.7	0	0	0	0	113.9	R199 Y216	S197-R199 VanDerWaalsContact C-N 3.27Å; S197-R199 PolarHBondContact O-N 2.72Å; S197-Y216 VanDerWaalsContact CA-OH 3.3Å; S197-Y216 WeakPolarHBondContact CA-OH 3.44Å; S197-Y216 PolarHBondContact N-OH 2.76Å; S197-Y216 PolarHBondContact OG-OH 3.42Å
198	G	78	Confident	80.4	Confident	74 Å²	74	76.5 Å²	76.5	76%	0.763	40%	0.403	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.5	0.9	-175.4	0	0	0	0	0	115.6	F196	F196-G198 PolarHBondContact O-N 3.33Å; F196-G198 VanDerWaalsContact O-N 3.08Å
199	R	83.2	Confident	80	Confident	194 Å²	194	77 Å²	77	73%	0.732	41%	0.406	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-100.4	133.3	175.4	-62.6	-169.3	174.4	-171.7	-1.1	111.2	F195 F196 S197	F195-R199 CarbonylContact C-O 3.48Å; F195-R199 WeakPolarHBondContact CA-O 3.41Å; F196-R199 PolarHBondContact N-O 3.33Å; F196-R199 WeakPolarHBondContact O-CA 3.17Å; F196-R199 WeakPolarHBondContact O-CB 3.34Å; F196-R199 PolarHBondContact O-N 3.46Å; S197-R199 VanDerWaalsContact C-N 3.27Å; S197-R199 PolarHBondContact O-N 2.72Å
200	P	84.8	Confident	79.5	Confident	83 Å²	83	76.1 Å²	76.1	54%	0.539	40%	0.399	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.8	133	174.8	28.4	-33.1	0	0	0	110.5	W194 F195	W194-P200 CarbonylContact O-C 3.45Å; W194-P200 WeakPolarHBondContact O-CA 3.23Å; F195-P200 HydrophobicContact CD1-CB 4.21Å; F195-P200 HydrophobicContact CE1-CB 4.11Å
201	L	84.9	Confident	78.9	Confident	12 Å²	12	81.2 Å²	81.2	6%	0.063	40%	0.402	C	S	.	.	P	Polyproline II helix	trans	-83.3	124.1	175.2	-64.3	-177.4	0	0	0	109.9	V174 W194 F196 M205 L210 V218	V174-L201 HydrophobicContact CG1-CB 4.27Å; V174-L201 HydrophobicContact CG2-CB 4.33Å; W194-L201 HydrophobicContact CB-CB 3.87Å; W194-L201 HydrophobicContact CB-CD1 4.07Å; W194-L201 HydrophobicContact CB-CG 4.29Å; W194-L201 HydrophobicContact CE3-CD1 4.12Å; W194-L201 PolarHBondContact O-N 3.08Å; F196-L201 HydrophobicContact CB-CD1 4Å; F196-L201 HydrophobicContact CB-CD2 3.75Å; F196-L201 HydrophobicContact CB-CG 3.88Å; F196-L201 HydrophobicContact CG-CD2 4.48Å; L201-M205 HydrophobicContact CD2-SD 4.11Å; L201-L210 HydrophobicContact CD1-CD1 3.95Å; L201-L210 HydrophobicContact CD2-CD1 3.6Å; L201-L210 HydrophobicContact CD2-CD2 3.32Å; L201-L210 HydrophobicContact CD2-CG 4.08Å; L201-L210 HydrophobicContact CG-CD1 4.38Å; L201-V218 HydrophobicContact CD1-CG1 4.03Å
202	T	82.8	Confident	78.1	Confident	70 Å²	70	81 Å²	81	43%	0.429	40%	0.399	S	S	.	.	P	Polyproline II helix	trans	-95.2	153.1	176	61.6	0	0	0	0	110.8	V174 K204 M205	V174-T202 WeakPolarHBondContact CB-O 3.4Å; T202-K204 PolarHBondContact O-N 2.9Å; T202-K204 VanDerWaalsContact O-N 3.13Å; T202-M205 WeakPolarHBondContact O-CB 3.49Å; T202-M205 PolarHBondContact O-N 3.15Å
203	D	76.8	Confident	77.3	Confident	78 Å²	78	84.3 Å²	84.3	42%	0.417	42%	0.42	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-31.4	178.8	-171.7	-107.9	0	0	0	113.7	F175 M205	F175-D203 WeakPolarHBondContact CA-OD2 3.28Å; F175-D203 WeakPolarHBondContact CB-OD2 3.37Å; F175-D203 WeakPolarHBondContact CD2-OD2 3.36Å; D203-M205 PolarHBondContact O-N 3.23Å
204	K	75.8	Confident	76	Confident	188 Å²	188	85.4 Å²	85.4	82%	0.817	43%	0.43	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.8	-13.6	-178.5	-51.5	-174.5	179.7	-176.4	0	113.4	T202	T202-K204 PolarHBondContact O-N 2.9Å; T202-K204 VanDerWaalsContact O-N 3.13Å
205	M	80.2	Confident	75	Confident	69 Å²	69	90.4 Å²	90.4	34%	0.34	46%	0.457	S	S	.	.			trans	-82.9	134.5	-178.8	-72.6	169.8	154.1	0	0	110.8	V174 L201 T202 D203 L210	V174-M205 HydrophobicContact CG2-CB 3.97Å; V174-M205 VanDerWaalsContact CG2-O 3.31Å; V174-M205 WeakPolarHBondContact CG2-O 3.29Å; V174-M205 PolarHBondContact N-O 3.01Å; L201-M205 HydrophobicContact CD2-SD 4.11Å; T202-M205 WeakPolarHBondContact O-CB 3.49Å; T202-M205 PolarHBondContact O-N 3.15Å; D203-M205 PolarHBondContact O-N 3.23Å; M205-L210 HydrophobicContact CB-CD1 4.48Å; M205-L210 HydrophobicContact CB-CD2 4.09Å; M205-L210 HydrophobicContact CB-CG 4.34Å; M205-L210 HydrophobicContact CG-CD2 4.31Å; M205-L210 HydrophobicContact SD-CD2 3.78Å
206	K	75.9	Confident	74.5	Confident	116 Å²	116	91.1 Å²	91.1	50%	0.504	46%	0.458	S	S	.	.	B	Isolated β-bridge	trans	-87.4	149.4	170.3	-62.9	-177.1	178	-175.3	0	111.2	T173 E208 E209 L210	T173-K206 HydrophobicContact CG2-CG 4.26Å; K206-E208 PolarHBondContact O-N 3.39Å; K206-E209 HydrophobicContact CB-CG 4.2Å; K206-E209 WeakPolarHBondContact CB-OE2 3.33Å; K206-E209 WeakPolarHBondContact CG-OE2 3.45Å; K206-E209 PolarHBondContact N-OE2 3.39Å; K206-E209 VanDerWaalsContact N-OE2 3.07Å; K206-E209 PolarHBondContact O-N 3.43Å; K206-E209 VanDerWaalsContact O-N 3.1Å; K206-L210 WeakPolarHBondContact O-CG 3.33Å; K206-L210 PolarHBondContact O-N 3.5Å
207	F	72.9	Confident	74.5	Confident	14 Å²	14	92.9 Å²	92.9	6%	0.061	47%	0.471	C	S	.	.	H	α-helix	trans	-55.5	-40.7	176.2	-179.2	-96.2	0	0	0	111.9	C152 L154 V168 D172 M177 E209 L210 K211 I212	C152-F207 HydrophobicContact CB-CE1 3.49Å; C152-F207 VanDerWaalsContact CB-CE1 3.49Å; C152-F207 HydrophobicContact CB-CZ 3.52Å; L154-F207 HydrophobicContact CD1-CE2 4.39Å; V168-F207 HydrophobicContact CG2-CD1 4.36Å; V168-F207 HydrophobicContact CG2-CD2 3.57Å; V168-F207 HydrophobicContact CG2-CE1 4.23Å; V168-F207 HydrophobicContact CG2-CE2 3.42Å; V168-F207 VanDerWaalsContact CG2-CE2 3.42Å; V168-F207 HydrophobicContact CG2-CG 4.05Å; V168-F207 HydrophobicContact CG2-CZ 3.77Å; D172-F207 VanDerWaalsContact O-CB 3.28Å; D172-F207 WeakPolarHBondContact O-CB 3.49Å; D172-F207 PolarHBondContact O-N 2.83Å; M177-F207 HydrophobicContact CE-CD2 4.18Å; M177-F207 HydrophobicContact SD-CB 4.18Å; M177-F207 HydrophobicContact SD-CD2 3.89Å; F207-E209 VanDerWaalsContact C-N 3.32Å; F207-E209 PolarHBondContact O-N 3.45Å; F207-L210 PolarHBondContact O-N 3.29Å; F207-L210 VanDerWaalsContact O-N 3.15Å; F207-K211 PolarHBondContact O-N 2.94Å; F207-I212 HydrophobicContact CD2-CD1 4.41Å; F207-I212 HydrophobicContact CE2-CB 4.2Å; F207-I212 HydrophobicContact CE2-CD1 4.23Å; F207-I212 HydrophobicContact CE2-CG1 4.47Å
208	E	69.2	Low	75	Confident	127 Å²	127	89.4 Å²	89.4	59%	0.593	45%	0.447	S	S	*	.	H	α-helix	trans	-60	-37.1	177.4	-154.9	174.8	98	0	0	113.4	K206 L210 K211	K206-E208 PolarHBondContact O-N 3.39Å; E208-L210 VanDerWaalsContact C-N 3.34Å; E208-K211 VanDerWaalsContact O-CG 3.28Å; E208-K211 WeakPolarHBondContact O-CG 3.31Å; E208-K211 PolarHBondContact O-N 3.42Å
209	E	71.2	Confident	75.4	Confident	128 Å²	128	90.7 Å²	90.7	60%	0.598	43%	0.433	S	S	*	.	H	α-helix	trans	-71.5	-31.2	177	-68	176.2	85.5	0	0	112.2	K206 F207 K211	K206-E209 HydrophobicContact CB-CG 4.2Å; K206-E209 WeakPolarHBondContact CB-OE2 3.33Å; K206-E209 WeakPolarHBondContact CG-OE2 3.45Å; K206-E209 PolarHBondContact N-OE2 3.39Å; K206-E209 VanDerWaalsContact N-OE2 3.07Å; K206-E209 PolarHBondContact O-N 3.43Å; K206-E209 VanDerWaalsContact O-N 3.1Å; F207-E209 VanDerWaalsContact C-N 3.32Å; F207-E209 PolarHBondContact O-N 3.45Å; E209-K211 PolarHBondContact O-N 2.89Å
210	L	68	Low	75.6	Confident	21 Å²	21	81.4 Å²	81.4	11%	0.11	40%	0.398	C	S	.	.	H	α-helix	trans	-72.9	-20.6	-179.8	-62.4	176.1	0	0	0	112.4	V174 L201 M205 K206 F207 E208 I212	V174-L210 HydrophobicContact CG2-CD1 3.74Å; L201-L210 HydrophobicContact CD1-CD1 3.95Å; L201-L210 HydrophobicContact CD2-CD1 3.6Å; L201-L210 HydrophobicContact CD2-CD2 3.32Å; L201-L210 HydrophobicContact CD2-CG 4.08Å; L201-L210 HydrophobicContact CG-CD1 4.38Å; M205-L210 HydrophobicContact CB-CD1 4.48Å; M205-L210 HydrophobicContact CB-CD2 4.09Å; M205-L210 HydrophobicContact CB-CG 4.34Å; M205-L210 HydrophobicContact CG-CD2 4.31Å; M205-L210 HydrophobicContact SD-CD2 3.78Å; K206-L210 WeakPolarHBondContact O-CG 3.33Å; K206-L210 PolarHBondContact O-N 3.5Å; F207-L210 PolarHBondContact O-N 3.29Å; F207-L210 VanDerWaalsContact O-N 3.15Å; E208-L210 VanDerWaalsContact C-N 3.34Å; L210-I212 HydrophobicContact CB-CD1 3.9Å; L210-I212 HydrophobicContact CB-CG1 3.51Å; L210-I212 HydrophobicContact CD1-CD1 3.93Å; L210-I212 HydrophobicContact CD1-CG1 4.48Å; L210-I212 PolarHBondContact O-N 3.13Å
211	K	66.7	Low	75.7	Confident	176 Å²	176	80.9 Å²	80.9	77%	0.765	39%	0.39	S	S	*	.	T	Hydrogen-bonded Turn	trans	41.7	42.9	-178.2	-62.1	-172	178.3	-171.2	0	111.9	F207 E208 E209 P213	F207-K211 PolarHBondContact O-N 2.94Å; E208-K211 VanDerWaalsContact O-CG 3.28Å; E208-K211 WeakPolarHBondContact O-CG 3.31Å; E208-K211 PolarHBondContact O-N 3.42Å; E209-K211 PolarHBondContact O-N 2.89Å; K211-P213 VanDerWaalsContact O-CD 3.29Å; K211-P213 WeakPolarHBondContact O-CD 3.43Å
212	I	65.8	Low	75.5	Confident	13 Å²	13	81 Å²	81	7%	0.067	39%	0.391	C	S	.	.			trans	-67	118.7	-175.5	-55.3	-178.2	0	0	0	107.5	L154 F196 F207 L210 Y216 V218	L154-I212 HydrophobicContact CD1-CB 4.38Å; L154-I212 HydrophobicContact CD1-CD1 4.03Å; L154-I212 HydrophobicContact CD1-CG2 3.63Å; F196-I212 HydrophobicContact CD2-CD1 4.28Å; F196-I212 HydrophobicContact CD2-CG1 4.12Å; F196-I212 HydrophobicContact CD2-CG2 4.32Å; F196-I212 HydrophobicContact CE2-CB 4.19Å; F196-I212 HydrophobicContact CE2-CD1 4.49Å; F196-I212 HydrophobicContact CE2-CG1 3.86Å; F196-I212 HydrophobicContact CE2-CG2 3.82Å; F196-I212 HydrophobicContact CZ-CG1 4.06Å; F207-I212 HydrophobicContact CD2-CD1 4.41Å; F207-I212 HydrophobicContact CE2-CB 4.2Å; F207-I212 HydrophobicContact CE2-CD1 4.23Å; F207-I212 HydrophobicContact CE2-CG1 4.47Å; L210-I212 HydrophobicContact CB-CD1 3.9Å; L210-I212 HydrophobicContact CB-CG1 3.51Å; L210-I212 HydrophobicContact CD1-CD1 3.93Å; L210-I212 HydrophobicContact CD1-CG1 4.48Å; L210-I212 PolarHBondContact O-N 3.13Å; I212-Y216 HydrophobicContact CG2-CD1 4.37Å; I212-Y216 HydrophobicContact CG2-CG 4.3Å; I212-V218 HydrophobicContact CD1-CG2 3.97Å
213	P	65.3	Low	75.1	Confident	72 Å²	72	80.7 Å²	80.7	47%	0.468	39%	0.392	S	S	.	.			trans	-63.4	147.7	178.5	8.1	-7.3	0	0	0	110.5	K211 D215 Y216	K211-P213 VanDerWaalsContact O-CD 3.29Å; K211-P213 WeakPolarHBondContact O-CD 3.43Å; P213-D215 PolarHBondContact O-N 2.87Å; P213-Y216 HydrophobicContact CG-CD2 3.91Å; P213-Y216 HydrophobicContact CG-CG 4.25Å; P213-Y216 VanDerWaalsContact O-CB 3.25Å; P213-Y216 WeakPolarHBondContact O-CB 3.2Å; P213-Y216 PolarHBondContact O-N 3.16Å
214	K	59.5	Low	74.2	Confident	188 Å²	188	84.3 Å²	84.3	82%	0.817	41%	0.406	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.2	-20.9	-178.2	59.3	169.5	179.5	-98	0	115.5
215	D	65.7	Low	73.1	Confident	108 Å²	108	79.5 Å²	79.5	58%	0.578	39%	0.394	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100.3	-0.9	178.5	-154.6	-114.4	0	0	0	113.3	R155 P213	R155-D215 IonicContact CZ-OD2 3.79Å; R155-D215 IonicContact NH1-OD1 2.93Å; R155-D215 IonicContact NH1-OD2 3.5Å; R155-D215 PolarHBondContact NH1-OD2 3.39Å; R155-D215 IonicContact NH2-OD2 3.09Å; R155-D215 PolarHBondContact NH2-OD2 3.47Å; P213-D215 PolarHBondContact O-N 2.87Å
216	Y	76.6	Confident	71.3	Confident	77 Å²	77	81.9 Å²	81.9	30%	0.302	41%	0.412	S	S	.	.			trans	-78.6	145	-176.6	-151.8	-84.6	0	0	0	112.2	F196 S197 I212 P213	F196-Y216 AromaticContact CD2-CD1 3.52Å; F196-Y216 HydrophobicContact CD2-CD1 3.52Å; F196-Y216 AromaticContact CD2-CE1 3.39Å; F196-Y216 HydrophobicContact CD2-CE1 3.39Å; F196-Y216 HydrophobicContact CD2-CG 4.41Å; F196-Y216 AromaticContact CE2-CD1 3.3Å; F196-Y216 HydrophobicContact CE2-CD1 3.3Å; F196-Y216 HydrophobicContact CE2-CD2 4.2Å; F196-Y216 AromaticContact CE2-CE1 3.38Å; F196-Y216 HydrophobicContact CE2-CE1 3.38Å; F196-Y216 HydrophobicContact CE2-CE2 4.24Å; F196-Y216 AromaticContact CE2-CG 3.75Å; F196-Y216 HydrophobicContact CE2-CG 3.75Å; F196-Y216 AromaticContact CE2-CZ 3.86Å; F196-Y216 HydrophobicContact CZ-CE1 4.49Å; S197-Y216 VanDerWaalsContact CA-OH 3.3Å; S197-Y216 WeakPolarHBondContact CA-OH 3.44Å; S197-Y216 PolarHBondContact N-OH 2.76Å; S197-Y216 PolarHBondContact OG-OH 3.42Å; I212-Y216 HydrophobicContact CG2-CD1 4.37Å; I212-Y216 HydrophobicContact CG2-CG 4.3Å; P213-Y216 HydrophobicContact CG-CD2 3.91Å; P213-Y216 HydrophobicContact CG-CG 4.25Å; P213-Y216 VanDerWaalsContact O-CB 3.25Å; P213-Y216 WeakPolarHBondContact O-CB 3.2Å; P213-Y216 PolarHBondContact O-N 3.16Å
217	V	83.8	Confident	69.8	Low	69 Å²	69	85.1 Å²	85.1	42%	0.418	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	124.3	177.7	63.2	0	0	0	0	110.7	R155 R157	R155-V217 HydrophobicContact CB-CB 4.37Å; R155-V217 HydrophobicContact CB-CG2 4.34Å; R155-V217 CarbonylContact O-C 3.51Å; R155-V217 WeakPolarHBondContact O-CA 3.4Å; R157-V217 HydrophobicContact CB-CG2 3.64Å
218	V	87.2	Confident	67.9	Low	0 Å²	0	91.1 Å²	91.1	0%	0	46%	0.462	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	130.2	176.2	176.6	0	0	0	0	108.9	L154 R155 L156 R157 W194 F195 F196 L201 I212 V220	L154-V218 HydrophobicContact CD1-CG2 3.78Å; L154-V218 HydrophobicContact CD2-CG2 4.37Å; L154-V218 HydrophobicContact CG-CG2 4.4Å; R155-V218 PolarHBondContact O-N 2.95Å; L156-V218 CarbonylContact C-O 3.43Å; L156-V218 WeakPolarHBondContact CA-O 3.14Å; L156-V218 HydrophobicContact CD2-CB 3.87Å; L156-V218 HydrophobicContact CD2-CG1 4.31Å; R157-V218 PolarHBondContact N-O 2.95Å; W194-V218 HydrophobicContact CB-CG1 4.4Å; W194-V218 HydrophobicContact CD2-CG1 4.44Å; W194-V218 HydrophobicContact CE3-CG1 3.78Å; W194-V218 HydrophobicContact CZ3-CG1 4.44Å; F195-V218 WeakPolarHBondContact O-CG1 3.42Å; F196-V218 HydrophobicContact CD2-CG2 4.2Å; L201-V218 HydrophobicContact CD1-CG1 4.03Å; I212-V218 HydrophobicContact CD1-CG2 3.97Å; V218-V220 HydrophobicContact CG1-CG2 4.48Å
219	Q	87.7	Confident	66.7	Low	101 Å²	101	90.2 Å²	90.2	47%	0.472	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	124.2	178.3	-168	119.7	38.4	0	0	109.8	R157 W194 F195	R157-Q219 CarbonylContact O-C 3.55Å; R157-Q219 WeakPolarHBondContact O-CA 3.35Å; W194-Q219 CarbonylContact C-O 3.52Å; F195-Q219 HydrophobicContact CB-CB 4.4Å; F195-Q219 PolarHBondContact N-O 2.96Å; F195-Q219 PolarHBondContact O-N 2.9Å
220	V	86.4	Confident	65.3	Low	0 Å²	0	90.2 Å²	90.2	0%	0	48%	0.476	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114	113.3	178	-174.1	0	0	0	0	109.1	L156 R157 L158 S159 L181 Q192 R193 W194 V218 V222	L156-V220 HydrophobicContact CB-CG2 4.28Å; L156-V220 HydrophobicContact CD2-CG2 4.22Å; R157-V220 PolarHBondContact O-N 3.18Å; L158-V220 CarbonylContact C-O 3.58Å; L158-V220 VanDerWaalsContact CA-O 3.31Å; L158-V220 WeakPolarHBondContact CA-O 3.39Å; L158-V220 HydrophobicContact CD2-CB 3.91Å; L158-V220 HydrophobicContact CD2-CG1 4.18Å; S159-V220 PolarHBondContact N-O 2.89Å; L181-V220 HydrophobicContact CD2-CB 4.31Å; L181-V220 HydrophobicContact CD2-CG1 3.76Å; L181-V220 HydrophobicContact CD2-CG2 4.17Å; Q192-V220 HydrophobicContact CB-CG1 4.12Å; Q192-V220 HydrophobicContact CG-CG1 4.47Å; R193-V220 CarbonylContact O-C 3.54Å; R193-V220 WeakPolarHBondContact O-CA 3.46Å; W194-V220 HydrophobicContact CD2-CG2 3.79Å; W194-V220 HydrophobicContact CE3-CG2 4.32Å; W194-V220 HydrophobicContact CG-CG1 4.34Å; W194-V220 HydrophobicContact CG-CG2 3.95Å; W194-V220 HydrophobicContact CZ2-CG2 4.33Å; V218-V220 HydrophobicContact CG1-CG2 4.48Å; V220-V222 HydrophobicContact CG1-CG1 4.25Å
221	I	87.1	Confident	64.3	Low	71 Å²	71	94.2 Å²	94.2	36%	0.364	50%	0.503	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.9	117.1	173.5	-55.4	-176.3	0	0	0	107.5	R193 F195	R193-I221 HydrophobicContact CB-CB 4.39Å; R193-I221 PolarHBondContact N-O 3.28Å; R193-I221 PolarHBondContact O-N 3.27Å; F195-I221 HydrophobicContact CD2-CD1 3.94Å; F195-I221 HydrophobicContact CD2-CG1 3.97Å; F195-I221 HydrophobicContact CE2-CB 4.14Å; F195-I221 HydrophobicContact CE2-CD1 3.45Å; F195-I221 VanDerWaalsContact CE2-CD1 3.45Å; F195-I221 HydrophobicContact CE2-CG1 3.74Å; F195-I221 HydrophobicContact CZ-CD1 4.14Å
222	V	81.2	Confident	63.8	Low	16 Å²	16	92.6 Å²	92.6	10%	0.097	51%	0.508	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94	110	176.4	-58.7	0	0	0	0	107.9	L158 S159 T160 V187 V220 Q224	L158-V222 HydrophobicContact CD2-CG1 4.16Å; S159-V222 PolarHBondContact OG-N 3.48Å; T160-V222 HydrophobicContact CG2-CG2 4.03Å; V187-V222 HydrophobicContact CB-CG1 4.4Å; V187-V222 HydrophobicContact CG1-CB 3.94Å; V187-V222 HydrophobicContact CG1-CG1 3.68Å; V187-V222 HydrophobicContact CG2-CG1 4.15Å; V220-V222 HydrophobicContact CG1-CG1 4.25Å; V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 3.33Å; V222-Q224 VanDerWaalsContact O-N 3.11Å
223	S	73.6	Confident	62.7	Low	62 Å²	62	100 Å²	100	43%	0.434	54%	0.542	S	S	.	.			trans	-79.4	87.1	167.2	-63.5	0	0	0	0	105.8	S191 P225	S191-S223 VanDerWaalsContact CB-O 3.24Å; S191-S223 WeakPolarHBondContact CB-O 3.36Å; S191-S223 PolarHBondContact O-N 3.22Å; S191-S223 PolarHBondContact OG-O 3.48Å; S223-P225 WeakPolarHBondContact O-CD 3.34Å
224	Q	59.4	Low	61.7	Low	154 Å²	154	107.4 Å²	107.4	72%	0.72	58%	0.578	S	S	*	*			trans	-52.4	119.7	172.4	-68.9	-177.2	-36.8	0	0	107.2	V222 V226	V222-Q224 VanDerWaalsContact C-N 3.28Å; V222-Q224 PolarHBondContact O-N 3.33Å; V222-Q224 VanDerWaalsContact O-N 3.11Å; Q224-V226 VanDerWaalsContact C-N 3.27Å; Q224-V226 PolarHBondContact O-N 3.34Å
225	P	50.9	Low	61.8	Low	87 Å²	87	103.4 Å²	103.4	57%	0.565	57%	0.566	S	S	*	*			trans	-62.5	110.7	155.9	27.1	-25.4	0	0	0	102.1	S223 Q227	S223-P225 WeakPolarHBondContact O-CD 3.34Å; P225-Q227 PolarHBondContact O-N 3.08Å
226	V	43.1	Very low	61.6	Low	120 Å²	120	103.2 Å²	103.2	73%	0.727	57%	0.565	S	S	*	*			trans	-38.3	117.5	164.6	-78.5	0	0	0	0	105.3	Q224 N228	Q224-V226 VanDerWaalsContact C-N 3.27Å; Q224-V226 PolarHBondContact O-N 3.34Å; V226-N228 PolarHBondContact O-N 3.45Å
227	Q	43.9	Very low	60.8	Low	183 Å²	183	104.6 Å²	104.6	86%	0.855	58%	0.58	S	S	*	*			trans	-51.2	106.2	168	-78.4	177.3	21.4	0	0	103.4	P225 P229	P225-Q227 PolarHBondContact O-N 3.08Å; Q227-P229 VanDerWaalsContact C-N 3.32Å; Q227-P229 WeakPolarHBondContact O-CD 3.38Å
228	N	34.8	Very low	59.5	Low	140 Å²	140	106.7 Å²	106.7	75%	0.749	59%	0.589	S	S	*	*			trans	-56.1	111	162.7	-92.3	-10	0	0	0	102.3	V226 T230	V226-N228 PolarHBondContact O-N 3.45Å; N228-T230 PolarHBondContact O-N 3.49Å
229	P	43.2	Very low	57.7	Low	108 Å²	108	113.4 Å²	113.4	70%	0.701	63%	0.626	S	S	*	*			trans	-61.9	112.6	172.7	27.6	-29.1	0	0	0	103.2	Q227 P231	Q227-P229 VanDerWaalsContact C-N 3.32Å; Q227-P229 WeakPolarHBondContact O-CD 3.38Å; P229-P231 WeakPolarHBondContact O-CD 3.5Å
230	T	42.6	Very low	55.7	Low	128 Å²	128	114.2 Å²	114.2	79%	0.785	64%	0.637	S	S	*	*			trans	-55.3	114.7	165	35.9	0	0	0	0	105.1	N228 V232	N228-T230 PolarHBondContact O-N 3.49Å; T230-V232 PolarHBondContact O-N 3.33Å; T230-V232 VanDerWaalsContact O-N 3.09Å
231	P	44.9	Very low	53.5	Low	106 Å²	106	122.4 Å²	122.4	69%	0.688	68%	0.682	S	S	*	*			trans	-60.8	121.2	173.3	25.3	-28.9	0	0	0	105.3	P229 E233	P229-P231 WeakPolarHBondContact O-CD 3.5Å; P231-E233 VanDerWaalsContact C-N 3.3Å; P231-E233 PolarHBondContact O-N 3.32Å
232	V	56.6	Low	51	Low	141 Å²	141	126.3 Å²	126.3	86%	0.855	71%	0.707	S	S	*	*			trans	-60.7	104.3	164.7	49.5	0	0	0	0	105.8	T230	T230-V232 PolarHBondContact O-N 3.33Å; T230-V232 VanDerWaalsContact O-N 3.09Å
233	E	42.5	Very low	48.4	Very low	169 Å²	169	135.5 Å²	135.5	79%	0.79	76%	0.757	S	S	*	*			trans	-69.2	125.7	170.8	-118.7	170.9	75.1	0	0	108.1	P231	P231-E233 VanDerWaalsContact C-N 3.3Å; P231-E233 PolarHBondContact O-N 3.32Å
234	N	45.9	Very low	46.2	Very low	228 Å²	228	142.2 Å²	142.2	100%	1.219	79%	0.787	S	S	*	*			trans	64.8	0	165.9	-69.9	11	0	0	0	120.7

Retrieved 234 of 234 residues in 1312.6 ms (Link to these results)

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