A0A087X4V0_POEFO Loading...

Peptidyl-prolyl cis-trans isomerase

AlphaFold DB , UniProt , Accession A0A087X4V0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 154 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	52.4	Low	52.5	Low	246 Å²	246	151.9 Å²	151.9	100%	1.212	83%	0.833	S	S	*	*				0	97.9	0	-80.7	157.4	166.8	0	0	107.2
2	L	49.3	Very low	51.9	Low	161 Å²	161	156.7 Å²	156.7	84%	0.843	84%	0.84	S	S	*	*			trans	-90.4	133.3	179.4	-71.1	101.2	0	0	0	109.5
3	I	53.3	Low	51.2	Low	161 Å²	161	150.2 Å²	150.2	83%	0.826	83%	0.834	S	S	*	*			trans	171.1	87.1	131.7	28.4	152	0	0	0	108.5
4	T	51.5	Low	51.3	Low	119 Å²	119	157.5 Å²	157.5	73%	0.73	84%	0.842	S	S	*	*				41	107.2	90.7	46.5	0	0	0	0	118
5	T	55.7	Low	50.6	Low	128 Å²	128	159.1 Å²	159.1	79%	0.785	84%	0.839	S	S	*	*			trans	27.9	122	131.1	45.4	0	0	0	0	119.2
6	L	56.7	Low	50.3	Low	166 Å²	166	156.7 Å²	156.7	87%	0.869	83%	0.826	S	S	*	*			trans	-141.3	92.4	155	-131.5	79.7	0	0	0	110.6
7	E	51.2	Low	50.3	Low	188 Å²	188	155.9 Å²	155.9	88%	0.879	82%	0.822	S	S	*	*			trans	-81.5	129.3	148.1	-69.2	-151.4	104.2	0	0	107.6
8	T	53.3	Low	50.1	Low	112 Å²	112	157.6 Å²	157.6	69%	0.687	82%	0.821	S	S	*	*			trans	-135.4	101.6	160.5	-60	0	0	0	0	109.4
9	T	52.7	Low	49.7	Very low	119 Å²	119	158.8 Å²	158.8	73%	0.73	82%	0.82	S	S	*	*			trans	-44.3	131.1	157.6	-36.2	0	0	0	0	111.4
10	L	51.2	Low	49.8	Very low	164 Å²	164	156.2 Å²	156.2	86%	0.859	82%	0.815	S	S	*	*			trans	-138.6	97	153	-134.8	77.5	0	0	0	110.1
11	S	50.2	Low	50	Low	107 Å²	107	156.2 Å²	156.2	75%	0.748	82%	0.816	S	S	*	*			trans	-78	120.7	161.9	162.4	0	0	0	0	108.4
12	F	45.4	Very low	50.1	Low	209 Å²	209	149.5 Å²	149.5	92%	0.917	79%	0.791	S	S	*	*			trans	-159.6	127.7	157.9	-134.1	-97	0	0	0	109.9
13	G	42.8	Very low	50.2	Low	73 Å²	73	153.1 Å²	153.1	75%	0.753	79%	0.794	S	S	*	*			trans	127.4	53	159.9	0	0	0	0	0	117.8	F15	G13-F15 PolarHBondContact O-N 3.34Å
14	R	52.2	Low	50	Low	252 Å²	252	153 Å²	153	95%	0.951	79%	0.794	S	S	*	*			trans	-75.8	107.9	157	-174.3	121.1	173.1	173.2	-3.1	108.6
15	F	40.7	Very low	49.9	Very low	182 Å²	182	151 Å²	151	80%	0.798	79%	0.79	S	S	*	*			trans	-147	99.9	167.9	-157	-101.1	0	0	0	112.5	G13	G13-F15 PolarHBondContact O-N 3.34Å
16	L	47	Very low	49.6	Very low	120 Å²	120	153.1 Å²	153.1	63%	0.628	79%	0.791	S	S	*	*			trans	41.7	110.8	135	-81.8	139.6	0	0	0	120.9
17	L	49.2	Very low	49.3	Very low	144 Å²	144	149.6 Å²	149.6	75%	0.754	78%	0.78	S	S	*	*				165	105.7	124.8	-111.7	68.5	0	0	0	106.1
18	K	47.4	Very low	49.5	Very low	185 Å²	185	149.4 Å²	149.4	80%	0.804	78%	0.781	S	S	*	*				60.7	68.1	51.5	-148.1	162.3	-167.3	152.3	0	114.5
19	F	42.7	Very low	50.1	Low	182 Å²	182	149.2 Å²	149.2	80%	0.798	78%	0.782	S	S	*	*			trans	-158.5	73.7	155.2	-93	-78.7	0	0	0	107.7
20	S	50.3	Low	50.9	Low	105 Å²	105	149.7 Å²	149.7	73%	0.734	79%	0.787	S	S	*	*				13.4	94.3	94.5	-159.9	0	0	0	0	112.6	P22	S20-P22 VanDerWaalsContact C-CD 3.49Å; S20-P22 WeakPolarHBondContact O-CD 3.1Å
21	N	55.5	Low	50.6	Low	157 Å²	157	151.8 Å²	151.8	84%	0.84	79%	0.789	S	S	*	*			trans	-101.8	92.5	173.4	-158.9	33.4	0	0	0	108.5	R23	N21-R23 PolarHBondContact O-N 3.45Å
22	P	53.1	Low	50.3	Low	106 Å²	106	150.1 Å²	150.1	69%	0.688	79%	0.789	S	S	*	*			trans	-77.6	113.6	173.1	30.2	-32	0	0	0	110.1	S20 L24	S20-P22 VanDerWaalsContact C-CD 3.49Å; S20-P22 WeakPolarHBondContact O-CD 3.1Å; P22-L24 PolarHBondContact O-N 3.32Å
23	R	51.8	Low	49.7	Very low	237 Å²	237	150.4 Å²	150.4	89%	0.894	79%	0.79	S	S	*	*			trans	-42.2	114.5	156.1	-171.5	-150.2	-147.9	-173	9.2	111.7	N21	N21-R23 PolarHBondContact O-N 3.45Å
24	L	49.3	Very low	49.2	Very low	158 Å²	158	150.8 Å²	150.8	83%	0.827	79%	0.794	S	S	*	*			trans	-155.9	132.1	154.5	-121.6	93.2	0	0	0	104	P22	P22-L24 PolarHBondContact O-N 3.32Å
25	A	50.4	Low	48.3	Very low	77 Å²	77	142.3 Å²	142.3	64%	0.636	79%	0.785	S	S	*	*				-162.8	139.1	50.1	0	0	0	0	0	107.1
26	E	49.5	Very low	47.9	Very low	173 Å²	173	143.9 Å²	143.9	81%	0.808	79%	0.791	S	S	*	*				77.1	133.1	86.5	-152.3	160.9	91.7	0	0	110.6
27	S	48.7	Very low	47.1	Very low	92 Å²	92	142 Å²	142	64%	0.643	80%	0.801	S	S	*	*			cis	-175.5	136	-7.6	48.1	0	0	0	0	107.1
28	M	56.8	Low	46.3	Very low	183 Å²	183	138.7 Å²	138.7	90%	0.901	80%	0.802	S	S	*	*			trans	56.2	165	147.3	-72.1	173.7	135.3	0	0	121.5
29	P	65.6	Low	45.8	Very low	108 Å²	108	140.3 Å²	140.3	70%	0.701	81%	0.809	S	S	*	*			cis	-127.2	172.9	-34.2	36.9	-22	0	0	0	113.1
30	P	68.8	Low	45.3	Very low	130 Å²	130	135.3 Å²	135.3	84%	0.844	81%	0.808	S	S	*	*			trans	-86.7	132.4	171.4	33.5	-29.6	0	0	0	111.6
31	K	45	Very low	44.6	Very low	207 Å²	207	135 Å²	135	90%	0.9	81%	0.812	S	S	*	*			trans	-146.4	112	163.5	-151.9	167.7	-175.6	167.4	0	110.3
32	G	43.3	Very low	43.7	Very low	72 Å²	72	132.6 Å²	132.6	74%	0.742	81%	0.814	S	S	*	*			trans	-78.3	162.2	173.7	0	0	0	0	0	113.1
33	K	33.8	Very low	42.6	Very low	215 Å²	215	132.7 Å²	132.7	94%	0.935	82%	0.817	S	S	*	*				145	124.1	122.7	-166.5	174.3	-174.5	178.1	0	112.8
34	G	31.9	Very low	41.8	Very low	81 Å²	81	125.4 Å²	125.4	84%	0.835	82%	0.816	S	S	*	*			trans	81.4	138.1	154.5	0	0	0	0	0	116.1
35	G	33.3	Very low	40.9	Very low	74 Å²	74	122.3 Å²	122.3	76%	0.763	81%	0.807	S	S	*	*			cis	170.7	150.9	-1.1	0	0	0	0	0	110
36	K	32.2	Very low	40	Very low	216 Å²	216	123.1 Å²	123.1	94%	0.939	81%	0.808	S	S	*	*			trans	64.6	117.8	144.6	-156.3	173.4	-175.4	177.1	0	121.2
37	G	30	Very low	39.6	Very low	81 Å²	81	122.5 Å²	122.5	84%	0.835	81%	0.81	S	S	*	*			trans	94.3	131.3	147.3	0	0	0	0	0	114.4
38	G	33.9	Very low	39	Very low	74 Å²	74	122.2 Å²	122.2	76%	0.763	81%	0.814	S	S	*	*			cis	177.1	157.4	-0.4	0	0	0	0	0	108.7
39	K	36.6	Very low	38.3	Very low	219 Å²	219	120.6 Å²	120.6	95%	0.952	81%	0.809	S	S	*	*			trans	58	75	152	-143.6	175.1	-174.4	-177.6	0	116.9
40	G	32.4	Very low	37.5	Very low	77 Å²	77	123.3 Å²	123.3	79%	0.794	81%	0.81	S	S	*	*			trans	-108.6	115.5	156.6	0	0	0	0	0	108.9
41	A	34	Very low	36	Very low	97 Å²	97	125.1 Å²	125.1	80%	0.802	80%	0.804	S	S	*	*			trans	-53	137.4	-175.2	0	0	0	0	0	112.8	S43	A41-S43 PolarHBondContact O-N 3.28Å
42	A	36.6	Very low	36	Very low	107 Å²	107	121.3 Å²	121.3	88%	0.884	79%	0.79	S	S	*	*			trans	-57.5	106.1	162.3	0	0	0	0	0	109.1
43	S	31.3	Very low	35.8	Very low	108 Å²	108	125.3 Å²	125.3	76%	0.755	79%	0.786	S	S	*	*			trans	-108.9	67.9	157.7	168	0	0	0	0	106.7	A41 S45	A41-S43 PolarHBondContact O-N 3.28Å; S43-S45 PolarHBondContact O-N 3.06Å
44	G	34.9	Very low	35.9	Very low	84 Å²	84	119.5 Å²	119.5	87%	0.866	77%	0.769	S	S	*	*			trans	-66.7	91.7	159.6	0	0	0	0	0	107.2
45	S	30.2	Very low	36.8	Very low	93 Å²	93	120.4 Å²	120.4	65%	0.65	76%	0.761	S	S	*	*			trans	-101.2	112.1	171.3	-172.9	0	0	0	0	108.6	S43	S43-S45 PolarHBondContact O-N 3.06Å
46	S	32.1	Very low	37	Very low	94 Å²	94	126.5 Å²	126.5	66%	0.657	77%	0.766	S	S	*	*			trans	82.3	63.2	149.5	-48.5	0	0	0	0	116.3	A48	S46-A48 VanDerWaalsContact C-N 3.27Å; S46-A48 PolarHBondContact O-N 3.38Å
47	D	39.2	Very low	37.7	Very low	160 Å²	160	121 Å²	121	86%	0.856	77%	0.771	S	S	*	*				-62	100.9	129	-162.9	-79.8	0	0	0	106.8
48	A	36.5	Very low	39	Very low	87 Å²	87	119.3 Å²	119.3	72%	0.719	75%	0.753	S	S	*	*			trans	-126.2	45.2	174.2	0	0	0	0	0	108.8	S46 K50	S46-A48 VanDerWaalsContact C-N 3.27Å; S46-A48 PolarHBondContact O-N 3.38Å; A48-K50 PolarHBondContact O-N 3.44Å
49	D	43.7	Very low	40.8	Very low	148 Å²	148	118.5 Å²	118.5	79%	0.791	73%	0.734	S	S	*	*			trans	-95.9	67.7	172.7	-146.1	-79.8	0	0	0	109.9
50	K	46.9	Very low	42.8	Very low	166 Å²	166	109 Å²	109	72%	0.722	70%	0.695	S	S	*	*			trans	-168.4	81	150.2	-136.1	-176.3	-167.5	-128.1	0	110.7	A48 E52	A48-K50 PolarHBondContact O-N 3.44Å; K50-E52 WeakPolarHBondContact CE-OE2 3.37Å; K50-E52 IonicContact NZ-OE2 2.72Å; K50-E52 PolarHBondContact NZ-OE2 2.88Å
51	K	37.5	Very low	45.1	Very low	167 Å²	167	105.3 Å²	105.3	73%	0.726	66%	0.658	S	S	*	*			trans	-106.4	73	153.6	-150.3	-179.5	-166.7	167.5	0	109.4	K53	K51-K53 HydrophobicContact CD-CG 4.16Å; K51-K53 HydrophobicContact CG-CG 4.01Å; K51-K53 PolarHBondContact O-N 3.26Å
52	E	45.8	Very low	47.4	Very low	127 Å²	127	103.3 Å²	103.3	59%	0.593	63%	0.631	S	S	*	*			trans	-59	88.9	156.3	-158.9	177.3	155.6	0	0	107.7	K50 T54	K50-E52 WeakPolarHBondContact CE-OE2 3.37Å; K50-E52 IonicContact NZ-OE2 2.72Å; K50-E52 PolarHBondContact NZ-OE2 2.88Å; E52-T54 PolarHBondContact O-N 3.44Å
53	K	39.5	Very low	49.7	Very low	156 Å²	156	98.2 Å²	98.2	68%	0.678	59%	0.589	S	S	*	*			trans	-87.2	86.4	162.1	-76.8	-158.9	-177.8	177.4	0	108	K51	K51-K53 HydrophobicContact CD-CG 4.16Å; K51-K53 HydrophobicContact CG-CG 4.01Å; K51-K53 PolarHBondContact O-N 3.26Å
54	T	36.1	Very low	52.3	Low	94 Å²	94	94.7 Å²	94.7	58%	0.577	56%	0.559	S	S	*	*			trans	-63.1	160.2	163.2	-5.7	0	0	0	0	110.2	E52	E52-T54 PolarHBondContact O-N 3.44Å
55	P	49.4	Very low	54.7	Low	100 Å²	100	91.1 Å²	91.1	65%	0.649	52%	0.52	S	S	*	.			trans	-84.1	126.6	-132.9	32.1	-15.4	0	0	0	112.5
56	K	39.3	Very low	57.4	Low	202 Å²	202	86.7 Å²	86.7	88%	0.878	49%	0.489	S	S	*	.			trans	-105.9	124.5	152	-89.3	174.9	171.6	166.3	0	105.5	G58	K56-G58 PolarHBondContact O-N 3.05Å
57	G	46.1	Very low	60	Low	101 Å²	101	83 Å²	83	100%	1.041	46%	0.462	S	S	*	.	S	Bend	trans	-61.7	70.6	-170	0	0	0	0	0	114.7
58	G	56.9	Low	62.2	Low	45 Å²	45	75.4 Å²	75.4	46%	0.464	42%	0.421	S	S	.	.	S	Bend	trans	-136.1	130.1	167.9	0	0	0	0	0	107.3	K56 A60	K56-G58 PolarHBondContact O-N 3.05Å; G58-A60 PolarHBondContact O-N 3.02Å
59	T	71.8	Confident	64.5	Low	57 Å²	57	77.2 Å²	77.2	35%	0.35	42%	0.415	S	S	.	.			trans	-60.9	116.7	-175.5	-40.9	0	0	0	0	109.7	R110 F122 K154	T59-R110 PolarHBondContact O-N 3.38Å; T59-F122 HydrophobicContact CG2-CE1 3.56Å; T59-F122 HydrophobicContact CG2-CZ 4.13Å; T59-K154 CarbonylContact C-O 3.56Å; T59-K154 VanDerWaalsContact CA-O 3.26Å; T59-K154 WeakPolarHBondContact CA-O 3.24Å
60	A	77.8	Confident	66.5	Low	18 Å²	18	77.2 Å²	77.2	15%	0.149	41%	0.408	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	132.5	178.6	0	0	0	0	0	108.8	G58 W107 M108 T109 K153 K154	G58-A60 PolarHBondContact O-N 3.02Å; A60-W107 HydrophobicContact CB-CE3 4.1Å; A60-M108 CarbonylContact C-O 3.56Å; A60-M108 WeakPolarHBondContact CA-O 3.29Å; A60-T109 HydrophobicContact CB-CG2 4.36Å; A60-K153 CarbonylContact O-C 3.56Å; A60-K153 WeakPolarHBondContact O-CA 3.12Å; A60-K154 PolarHBondContact N-O 3.2Å; A60-K154 PolarHBondContact O-N 3.18Å
61	V	80.8	Confident	68.2	Low	0 Å²	0	74.4 Å²	74.4	0%	0	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.7	125.9	-176.1	-61	0	0	0	0	108.5	V63 M108 M113 F122 G152 K153	V61-V63 HydrophobicContact CB-CG2 3.9Å; V61-V63 HydrophobicContact CG2-CG2 3.46Å; V61-V63 VanDerWaalsContact CG2-CG2 3.46Å; V61-V63 PolarHBondContact O-N 2.9Å; V61-M108 WeakPolarHBondContact CG2-O 3.49Å; V61-M108 PolarHBondContact N-O 2.93Å; V61-M108 PolarHBondContact O-N 2.82Å; V61-M113 HydrophobicContact CG2-CE 3.78Å; V61-F122 HydrophobicContact CG1-CD1 4.47Å; V61-F122 HydrophobicContact CG1-CE1 3.94Å; V61-F122 HydrophobicContact CG1-CE2 4.16Å; V61-F122 HydrophobicContact CG1-CZ 3.75Å; V61-F122 HydrophobicContact CG2-CE2 4.12Å; V61-F122 HydrophobicContact CG2-CZ 4.4Å; V61-G152 CarbonylContact C-O 3.54Å; V61-G152 WeakPolarHBondContact CA-O 3.39Å; V61-K153 HydrophobicContact CB-CG 4.17Å; V61-K153 HydrophobicContact CG1-CB 4.14Å; V61-K153 HydrophobicContact CG1-CD 4.02Å; V61-K153 HydrophobicContact CG1-CG 3.59Å
62	K	83.9	Confident	70.5	Confident	55 Å²	55	68.5 Å²	68.5	24%	0.239	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.3	111.6	170.3	-166.1	-171.6	-179.3	-150.8	0	108	D104 G106 W107 E151 G152	K62-D104 IonicContact NZ-OD2 3.74Å; K62-G106 VanDerWaalsContact CA-O 3.3Å; K62-G106 WeakPolarHBondContact CA-O 3.42Å; K62-W107 HydrophobicContact CB-CD2 4.2Å; K62-W107 HydrophobicContact CB-CE3 4.35Å; K62-E151 HydrophobicContact CD-CB 4.27Å; K62-E151 WeakPolarHBondContact CE-OE2 3.35Å; K62-E151 IonicContact NZ-OE2 2.74Å; K62-E151 PolarHBondContact NZ-OE2 2.9Å; K62-E151 PolarHBondContact O-N 3.22Å; K62-G152 PolarHBondContact N-O 2.97Å; K62-G152 PolarHBondContact O-N 3.31Å
63	V	83.4	Confident	72.2	Confident	0 Å²	0	65.7 Å²	65.7	0%	0	37%	0.369	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	139.9	-171.2	-165.6	0	0	0	0	109.7	V61 L105 G106 F117 A121 I148 M149 V150	V61-V63 HydrophobicContact CB-CG2 3.9Å; V61-V63 HydrophobicContact CG2-CG2 3.46Å; V61-V63 VanDerWaalsContact CG2-CG2 3.46Å; V61-V63 PolarHBondContact O-N 2.9Å; V63-L105 WeakPolarHBondContact O-CB 3.38Å; V63-L105 PolarHBondContact O-N 2.92Å; V63-G106 PolarHBondContact N-O 3.46Å; V63-G106 VanDerWaalsContact N-O 3.13Å; V63-F117 HydrophobicContact CG1-CE1 3.96Å; V63-F117 HydrophobicContact CG1-CZ 3.81Å; V63-A121 HydrophobicContact CG1-CB 4.35Å; V63-A121 HydrophobicContact CG2-CB 4.17Å; V63-I148 HydrophobicContact CG1-CG2 3.24Å; V63-M149 WeakPolarHBondContact CA-O 3.4Å; V63-M149 WeakPolarHBondContact CG1-O 3.26Å; V63-V150 HydrophobicContact CG1-CG2 4.47Å; V63-V150 HydrophobicContact CG2-CG2 4.43Å
64	R	86.1	Confident	74.3	Confident	34 Å²	34	58.5 Å²	58.5	13%	0.128	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	139.2	168.2	-170.1	176.9	-78.1	157.4	13.3	108.3	F87 S88 G102 G103 D104 M149 E151	R64-F87 HydrophobicContact CB-CE1 4.25Å; R64-F87 HydrophobicContact CG-CD1 3.71Å; R64-F87 HydrophobicContact CG-CE1 3.56Å; R64-S88 PolarHBondContact NH1-OG 2.99Å; R64-G102 WeakPolarHBondContact CD-O 3.45Å; R64-G102 WeakPolarHBondContact CG-O 3.47Å; R64-G103 CarbonylContact C-O 3.54Å; R64-G103 VanDerWaalsContact CA-O 3.32Å; R64-G103 WeakPolarHBondContact CA-O 3.41Å; R64-G103 VanDerWaalsContact CG-C 3.45Å; R64-G103 VanDerWaalsContact CG-O 3.28Å; R64-G103 WeakPolarHBondContact CG-O 3.31Å; R64-D104 IonicContact CZ-OD2 3.62Å; R64-D104 IonicContact NE-OD2 3.35Å; R64-D104 PolarHBondContact NE-OD2 3.18Å; R64-D104 IonicContact NH2-OD2 2.98Å; R64-D104 PolarHBondContact NH2-OD2 3.49Å; R64-M149 HydrophobicContact CB-CB 4.49Å; R64-M149 PolarHBondContact N-O 3.07Å; R64-M149 PolarHBondContact O-N 2.7Å; R64-E151 IonicContact CZ-OE1 3.04Å; R64-E151 IonicContact NE-OE1 3.87Å; R64-E151 IonicContact NH1-OE1 3.17Å; R64-E151 PolarHBondContact NH1-OE1 2.91Å; R64-E151 IonicContact NH2-OE1 2.71Å; R64-E151 PolarHBondContact NH2-OE1 3.19Å; R64-E151 IonicContact NH2-OE2 3.53Å
65	H	86.3	Confident	76.6	Confident	10 Å²	10	59.3 Å²	59.3	5%	0.046	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	158.4	173.5	71.7	-130.7	0	0	0	113.6	D97 G103 L105 F117 I147	H65-D97 IonicContact CD2-OD1 3.89Å; H65-D97 IonicContact CE1-OD1 3.33Å; H65-D97 PolarHBondContact CE1-OD1 3.11Å; H65-D97 IonicContact NE2-OD1 2.71Å; H65-D97 PolarHBondContact NE2-OD1 3.34Å; H65-G103 PolarHBondContact N-O 3.33Å; H65-G103 WeakPolarHBondContact O-CA 3.32Å; H65-L105 WeakPolarHBondContact CE1-CD1 3.44Å; H65-L105 WeakPolarHBondContact ND1-CD1 3.48Å; H65-F117 HydrophobicContact CB-CE2 3.71Å; H65-F117 HydrophobicContact CB-CZ 4.04Å; H65-F117 AromaticContact CG-CE2 3.84Å; H65-F117 AromaticContact ND1-CE2 3.31Å; H65-F117 VanDerWaalsContact ND1-CE2 3.31Å; H65-F117 WeakPolarHBondContact ND1-CE2 3.32Å; H65-F117 AromaticContact ND1-CZ 3.45Å; H65-F117 WeakPolarHBondContact ND1-CZ 3.39Å; H65-I147 CarbonylContact C-O 3.55Å; H65-I147 WeakPolarHBondContact CA-O 3.36Å; H65-I147 WeakPolarHBondContact CB-O 3.45Å
66	I	86.2	Confident	78.4	Confident	0 Å²	0	59 Å²	59	0%	0	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	118.4	166	-64.3	163.9	0	0	0	106.3	L81 F87 V90 A91 H146 I147	I66-L81 HydrophobicContact CD1-CD1 4.42Å; I66-F87 HydrophobicContact CB-CE1 4.49Å; I66-F87 HydrophobicContact CB-CZ 4.3Å; I66-F87 HydrophobicContact CD1-CD1 3.85Å; I66-F87 HydrophobicContact CD1-CD2 4.02Å; I66-F87 HydrophobicContact CD1-CE1 3.51Å; I66-F87 HydrophobicContact CD1-CE2 3.67Å; I66-F87 HydrophobicContact CD1-CG 4.12Å; I66-F87 HydrophobicContact CD1-CZ 3.43Å; I66-F87 VanDerWaalsContact CD1-CZ 3.43Å; I66-F87 HydrophobicContact CG1-CD1 4.06Å; I66-F87 HydrophobicContact CG1-CE1 3.37Å; I66-F87 HydrophobicContact CG1-CE2 4.27Å; I66-F87 HydrophobicContact CG1-CZ 3.5Å; I66-V90 HydrophobicContact CD1-CB 4.15Å; I66-V90 HydrophobicContact CD1-CG1 3.91Å; I66-A91 HydrophobicContact CD1-CB 4.15Å; I66-A91 HydrophobicContact CG1-CB 3.59Å; I66-H146 CarbonylContact O-C 3.47Å; I66-H146 VanDerWaalsContact O-CA 3.25Å; I66-H146 WeakPolarHBondContact O-CA 3.46Å; I66-I147 HydrophobicContact CB-CB 4.28Å; I66-I147 PolarHBondContact N-O 3.15Å; I66-I147 PolarHBondContact O-N 2.8Å
67	L	86.8	Confident	80.5	Confident	17 Å²	17	49.3 Å²	49.3	9%	0.089	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.9	124.4	172.4	171.1	65.3	0	0	0	109.3	S95 E96 D97 F143 Y145 H146	L67-S95 PolarHBondContact N-OG 3.31Å; L67-S95 CarbonylContact O-C 3.45Å; L67-S95 WeakPolarHBondContact O-CA 3.42Å; L67-E96 PolarHBondContact O-N 3.05Å; L67-D97 HydrophobicContact CB-CB 3.86Å; L67-D97 HydrophobicContact CD2-CB 3.85Å; L67-D97 HydrophobicContact CG-CB 4.48Å; L67-F143 HydrophobicContact CD1-CB 3.87Å; L67-F143 WeakPolarHBondContact CD1-O 3.19Å; L67-F143 HydrophobicContact CD2-CB 4.1Å; L67-Y145 WeakPolarHBondContact CA-O 3.37Å; L67-H146 WeakPolarHBondContact CD1-CE1 3.34Å; L67-H146 VanDerWaalsContact CD1-NE2 3.26Å; L67-H146 WeakPolarHBondContact CD1-NE2 3.47Å
68	C	85	Confident	82.2	Confident	0 Å²	0	45.2 Å²	45.2	0%	0	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.4	119.8	170.2	-62.6	0	0	0	0	109.7	K70 K73 C74 Y94 Y145	C68-K70 VanDerWaalsContact C-N 3.34Å; C68-K73 HydrophobicContact CB-CB 4.31Å; C68-C74 HydrophobicContact CB-CB 3.86Å; C68-Y94 PolarHBondContact SG-O 3.33Å; C68-Y145 PolarHBondContact N-O 3.38Å; C68-Y145 PolarHBondContact O-N 3.29Å
69	E	85.6	Confident	83.7	Confident	125 Å²	125	49.2 Å²	49.2	58%	0.584	25%	0.245	S	C	*	.	S	Bend	trans	-69.7	-35.7	173.4	-57.7	-168.1	159.6	0	0	111.6	E96	E69-E96 HydrophobicContact CG-CG 4.41Å
70	K	86.1	Confident	84.3	Confident	148 Å²	148	51 Å²	51	64%	0.643	25%	0.248	S	C	*	.	S	Bend	trans	-92	130.2	-179.7	-65.4	-173.8	-178.8	177.2	0	111.2	C68 G72 K73 C74	C68-K70 VanDerWaalsContact C-N 3.34Å; K70-G72 VanDerWaalsContact C-N 3.26Å; K70-G72 PolarHBondContact O-N 2.95Å; K70-K73 HydrophobicContact CB-CG 4.48Å; K70-K73 PolarHBondContact O-N 3.5Å; K70-C74 PolarHBondContact O-N 3.27Å
71	H	81.3	Confident	84.6	Confident	106 Å²	106	50.9 Å²	50.9	49%	0.491	25%	0.245	S	C	.	.	H	α-helix	trans	-58.8	-36.6	174.5	-173.4	-94.4	0	0	0	112.6	C74 M75 Y145	H71-C74 WeakPolarHBondContact O-CB 3.36Å; H71-C74 PolarHBondContact O-N 3.49Å; H71-M75 PolarHBondContact O-N 3.18Å; H71-Y145 HydrophobicContact CB-CE2 4.03Å; H71-Y145 AromaticContact CD2-CZ 3.81Å
72	G	85.5	Confident	84.6	Confident	43 Å²	43	57.3 Å²	57.3	44%	0.443	27%	0.273	S	S	.	.	H	α-helix	trans	-59.1	-49.7	177.2	0	0	0	0	0	113.2	K70 C74 M75 E76	K70-G72 VanDerWaalsContact C-N 3.26Å; K70-G72 PolarHBondContact O-N 2.95Å; G72-C74 VanDerWaalsContact C-N 3.27Å; G72-C74 PolarHBondContact O-N 3.02Å; G72-M75 PolarHBondContact O-N 3.25Å; G72-E76 PolarHBondContact O-N 3.4Å; G72-E76 VanDerWaalsContact O-N 3.08Å
73	K	83.4	Confident	84.6	Confident	69 Å²	69	58.4 Å²	58.4	30%	0.3	29%	0.292	S	S	.	.	H	α-helix	trans	-60.3	-37.7	175.8	-74.6	-167	178.9	-175.1	0	112.1	C68 K70 A77 Y94 E96	C68-K73 HydrophobicContact CB-CB 4.31Å; K70-K73 HydrophobicContact CB-CG 4.48Å; K70-K73 PolarHBondContact O-N 3.5Å; K73-A77 WeakPolarHBondContact O-CB 3.37Å; K73-A77 PolarHBondContact O-N 3.47Å; K73-Y94 HydrophobicContact CB-CD1 4.32Å; K73-E96 IonicContact NZ-OE1 2.74Å; K73-E96 PolarHBondContact NZ-OE1 3.23Å
74	C	82.3	Confident	84.5	Confident	4 Å²	4	61.5 Å²	61.5	3%	0.027	32%	0.324	C	S	.	.	H	α-helix	trans	-67.1	-40	179.6	-165.4	0	0	0	0	112.1	C68 K70 H71 G72 A77 M78 P138	C68-C74 HydrophobicContact CB-CB 3.86Å; K70-C74 PolarHBondContact O-N 3.27Å; H71-C74 WeakPolarHBondContact O-CB 3.36Å; H71-C74 PolarHBondContact O-N 3.49Å; G72-C74 VanDerWaalsContact C-N 3.27Å; G72-C74 PolarHBondContact O-N 3.02Å; C74-A77 PolarHBondContact O-N 3.02Å; C74-M78 PolarHBondContact O-N 3.4Å; C74-P138 WeakPolarHBondContact SG-CG 3.14Å
75	M	84.4	Confident	84.3	Confident	111 Å²	111	62.3 Å²	62.3	55%	0.547	33%	0.333	S	S	.	.	H	α-helix	trans	-65.1	-44.4	176.3	-173.6	178.3	-94.3	0	0	111.3	H71 G72 A77 M78 E79	H71-M75 PolarHBondContact O-N 3.18Å; G72-M75 PolarHBondContact O-N 3.25Å; M75-A77 PolarHBondContact O-N 2.95Å; M75-M78 WeakPolarHBondContact O-CB 3.45Å; M75-M78 PolarHBondContact O-N 3.45Å; M75-E79 PolarHBondContact O-N 3.46Å
76	E	86.8	Confident	84.1	Confident	93 Å²	93	70 Å²	70	44%	0.435	36%	0.361	S	S	.	.	H	α-helix	trans	-60.7	-43.8	173.7	-70.7	-178.9	-120.6	0	0	112	G72 M78 E79 K80 Y94	G72-E76 PolarHBondContact O-N 3.4Å; G72-E76 VanDerWaalsContact O-N 3.08Å; E76-M78 VanDerWaalsContact C-N 3.31Å; E76-M78 PolarHBondContact O-N 3.44Å; E76-E79 PolarHBondContact O-N 2.98Å; E76-K80 WeakPolarHBondContact O-CG 2.9Å; E76-K80 PolarHBondContact O-N 3.14Å; E76-Y94 HydrophobicContact CB-CD1 4.34Å; E76-Y94 HydrophobicContact CB-CE1 3.55Å; E76-Y94 HydrophobicContact CG-CE1 4.47Å; E76-Y94 PolarHBondContact OE2-OH 3.32Å
77	A	84.2	Confident	83.9	Confident	0 Å²	0	70.6 Å²	70.6	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-59.4	-42.7	176.5	0	0	0	0	0	111.6	K73 C74 M75 E79 K80 L81 V90 Y94 I147	K73-A77 WeakPolarHBondContact O-CB 3.37Å; K73-A77 PolarHBondContact O-N 3.47Å; C74-A77 PolarHBondContact O-N 3.02Å; M75-A77 PolarHBondContact O-N 2.95Å; A77-E79 PolarHBondContact O-N 2.99Å; A77-K80 PolarHBondContact O-N 2.81Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.4Å; A77-L81 PolarHBondContact O-N 2.94Å; A77-V90 HydrophobicContact CB-CG1 3.57Å; A77-Y94 HydrophobicContact CB-CD1 4.41Å; A77-Y94 HydrophobicContact CB-CD2 4.23Å; A77-Y94 HydrophobicContact CB-CG 3.97Å; A77-I147 HydrophobicContact CB-CD1 4.33Å
78	M	82.6	Confident	83.6	Confident	15 Å²	15	71.8 Å²	71.8	7%	0.074	37%	0.374	C	S	.	.	H	α-helix	trans	-60.2	-42.5	174.4	-99.8	-71.3	-170.7	0	0	112.5	C74 M75 E76 K80 L81 K82 Y134 D136 P138 I147	C74-M78 PolarHBondContact O-N 3.4Å; M75-M78 WeakPolarHBondContact O-CB 3.45Å; M75-M78 PolarHBondContact O-N 3.45Å; E76-M78 VanDerWaalsContact C-N 3.31Å; E76-M78 PolarHBondContact O-N 3.44Å; M78-K80 VanDerWaalsContact C-N 3.35Å; M78-K80 PolarHBondContact O-N 3.15Å; M78-L81 PolarHBondContact O-N 3.08Å; M78-K82 WeakPolarHBondContact O-CB 3.35Å; M78-K82 VanDerWaalsContact O-CG 3.32Å; M78-K82 WeakPolarHBondContact O-CG 3.43Å; M78-K82 PolarHBondContact O-N 3.01Å; M78-Y134 HydrophobicContact CE-CD2 4.33Å; M78-Y134 HydrophobicContact CE-CE2 4.44Å; M78-Y134 HydrophobicContact SD-CE2 4.28Å; M78-D136 HydrophobicContact CE-CB 3.57Å; M78-D136 VanDerWaalsContact CE-CG 3.42Å; M78-P138 HydrophobicContact CE-CG 4.41Å; M78-I147 HydrophobicContact CG-CD1 4.15Å
79	E	86.8	Confident	83.7	Confident	128 Å²	128	77.2 Å²	77.2	60%	0.598	40%	0.399	S	S	*	.	H	α-helix	trans	-62.7	-41.1	175.9	-72.6	-177	158.7	0	0	111.9	M75 E76 A77 K82 A83	M75-E79 PolarHBondContact O-N 3.46Å; E76-E79 PolarHBondContact O-N 2.98Å; A77-E79 PolarHBondContact O-N 2.99Å; E79-K82 PolarHBondContact O-N 2.8Å; E79-A83 WeakPolarHBondContact O-CB 3.31Å; E79-A83 PolarHBondContact O-N 3.2Å
80	K	85.5	Confident	83.6	Confident	95 Å²	95	71.3 Å²	71.3	41%	0.413	37%	0.372	S	S	.	.	H	α-helix	trans	-64.9	-40.2	175.6	-62.7	-62.4	-178.3	-174.5	0	112.2	E76 A77 M78 A83 G84 V85 V90 Y94	E76-K80 WeakPolarHBondContact O-CG 2.9Å; E76-K80 PolarHBondContact O-N 3.14Å; A77-K80 PolarHBondContact O-N 2.81Å; M78-K80 VanDerWaalsContact C-N 3.35Å; M78-K80 PolarHBondContact O-N 3.15Å; K80-A83 WeakPolarHBondContact O-CB 3.47Å; K80-A83 PolarHBondContact O-N 2.93Å; K80-G84 PolarHBondContact O-N 2.93Å; K80-V85 HydrophobicContact CB-CB 4.25Å; K80-V85 HydrophobicContact CB-CG2 4.21Å; K80-V85 HydrophobicContact CD-CG2 4.43Å; K80-V85 VanDerWaalsContact O-CB 3.29Å; K80-V85 WeakPolarHBondContact O-CB 3.42Å; K80-V85 WeakPolarHBondContact O-CG2 3.18Å; K80-V85 PolarHBondContact O-N 2.81Å; K80-V90 HydrophobicContact CB-CG1 4.4Å; K80-V90 HydrophobicContact CB-CG2 3.68Å; K80-Y94 HydrophobicContact CG-CE2 3.99Å
81	L	83.3	Confident	83.5	Confident	15 Å²	15	64.3 Å²	64.3	8%	0.079	34%	0.341	C	S	.	.	H	α-helix	trans	-63.7	-42.2	175.1	-69.8	174	0	0	0	111.3	I66 A77 M78 A83 G84 F87 V90 I147	I66-L81 HydrophobicContact CD1-CD1 4.42Å; A77-L81 VanDerWaalsContact O-CG 3.32Å; A77-L81 WeakPolarHBondContact O-CG 3.4Å; A77-L81 PolarHBondContact O-N 2.94Å; M78-L81 PolarHBondContact O-N 3.08Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 3.5Å; L81-G84 PolarHBondContact O-N 3.37Å; L81-F87 HydrophobicContact CD1-CD2 4.09Å; L81-F87 HydrophobicContact CD1-CE2 4.09Å; L81-F87 HydrophobicContact CD2-CB 4.15Å; L81-F87 HydrophobicContact CD2-CD2 3.57Å; L81-F87 HydrophobicContact CD2-CE2 4.38Å; L81-F87 HydrophobicContact CD2-CG 4.16Å; L81-V90 HydrophobicContact CD2-CB 4.3Å; L81-V90 HydrophobicContact CD2-CG2 4.01Å; L81-V90 HydrophobicContact CG-CG1 4.37Å; L81-V90 HydrophobicContact CG-CG2 4.33Å; L81-I147 HydrophobicContact CD1-CD1 3.98Å; L81-I147 HydrophobicContact CD1-CG2 4.06Å
82	K	81.8	Confident	83.6	Confident	135 Å²	135	62.6 Å²	62.6	59%	0.587	34%	0.339	S	S	*	.	H	α-helix	trans	-65.8	-31.4	174.6	-72.1	174	-178.2	178.4	0	112.8	M78 E79 G84 D136	M78-K82 WeakPolarHBondContact O-CB 3.35Å; M78-K82 VanDerWaalsContact O-CG 3.32Å; M78-K82 WeakPolarHBondContact O-CG 3.43Å; M78-K82 PolarHBondContact O-N 3.01Å; E79-K82 PolarHBondContact O-N 2.8Å; K82-G84 PolarHBondContact O-N 3.04Å; K82-D136 IonicContact NZ-OD2 3.81Å
83	A	84	Confident	83.5	Confident	79 Å²	79	67.7 Å²	67.7	65%	0.653	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71.9	-4.2	172.9	0	0	0	0	0	113.5	E79 K80 L81 V85	E79-A83 WeakPolarHBondContact O-CB 3.31Å; E79-A83 PolarHBondContact O-N 3.2Å; K80-A83 WeakPolarHBondContact O-CB 3.47Å; K80-A83 PolarHBondContact O-N 2.93Å; L81-A83 VanDerWaalsContact C-N 3.3Å; L81-A83 PolarHBondContact O-N 3.5Å; A83-V85 HydrophobicContact CB-CG2 4.47Å
84	G	80.1	Confident	83.4	Confident	65 Å²	65	66.1 Å²	66.1	67%	0.67	34%	0.343	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.9	13.4	179.6	0	0	0	0	0	114.3	K80 L81 K82	K80-G84 PolarHBondContact O-N 2.93Å; L81-G84 PolarHBondContact O-N 3.37Å; K82-G84 PolarHBondContact O-N 3.04Å
85	V	82.3	Confident	83.4	Confident	51 Å²	51	66.4 Å²	66.4	31%	0.309	35%	0.345	S	S	.	.			trans	-67.1	142.6	173.1	-176.2	0	0	0	0	109.2	K80 A83 F87 E89 V90	K80-V85 HydrophobicContact CB-CB 4.25Å; K80-V85 HydrophobicContact CB-CG2 4.21Å; K80-V85 HydrophobicContact CD-CG2 4.43Å; K80-V85 VanDerWaalsContact O-CB 3.29Å; K80-V85 WeakPolarHBondContact O-CB 3.42Å; K80-V85 WeakPolarHBondContact O-CG2 3.18Å; K80-V85 PolarHBondContact O-N 2.81Å; A83-V85 HydrophobicContact CB-CG2 4.47Å; V85-F87 PolarHBondContact O-N 3.28Å; V85-E89 HydrophobicContact CG1-CB 4.1Å; V85-V90 HydrophobicContact CB-CG2 4.01Å; V85-V90 HydrophobicContact CG1-CG2 3.8Å
86	R	82.3	Confident	83.1	Confident	171 Å²	171	66.1 Å²	66.1	65%	0.645	34%	0.342	S	S	*	.			trans	-63.2	136.3	179.9	-71.5	-154.7	163.7	91	2.8	111.3	S88 E89 V90	R86-S88 PolarHBondContact O-N 3.25Å; R86-S88 VanDerWaalsContact O-N 3.14Å; R86-E89 HydrophobicContact CB-CG 4.44Å; R86-E89 PolarHBondContact O-N 3.04Å; R86-V90 PolarHBondContact O-N 2.92Å; R86-V90 VanDerWaalsContact O-N 3.15Å
87	F	80.9	Confident	82.4	Confident	12 Å²	12	64.4 Å²	64.4	5%	0.053	34%	0.336	C	S	.	.	H	α-helix	trans	-54.8	-36.3	179.5	-163.4	-79.8	0	0	0	112.7	R64 I66 L81 V85 E89 V90 A91 I147 M149	R64-F87 HydrophobicContact CB-CE1 4.25Å; R64-F87 HydrophobicContact CG-CD1 3.71Å; R64-F87 HydrophobicContact CG-CE1 3.56Å; I66-F87 HydrophobicContact CB-CE1 4.49Å; I66-F87 HydrophobicContact CB-CZ 4.3Å; I66-F87 HydrophobicContact CD1-CD1 3.85Å; I66-F87 HydrophobicContact CD1-CD2 4.02Å; I66-F87 HydrophobicContact CD1-CE1 3.51Å; I66-F87 HydrophobicContact CD1-CE2 3.67Å; I66-F87 HydrophobicContact CD1-CG 4.12Å; I66-F87 HydrophobicContact CD1-CZ 3.43Å; I66-F87 VanDerWaalsContact CD1-CZ 3.43Å; I66-F87 HydrophobicContact CG1-CD1 4.06Å; I66-F87 HydrophobicContact CG1-CE1 3.37Å; I66-F87 HydrophobicContact CG1-CE2 4.27Å; I66-F87 HydrophobicContact CG1-CZ 3.5Å; L81-F87 HydrophobicContact CD1-CD2 4.09Å; L81-F87 HydrophobicContact CD1-CE2 4.09Å; L81-F87 HydrophobicContact CD2-CB 4.15Å; L81-F87 HydrophobicContact CD2-CD2 3.57Å; L81-F87 HydrophobicContact CD2-CE2 4.38Å; L81-F87 HydrophobicContact CD2-CG 4.16Å; V85-F87 PolarHBondContact O-N 3.28Å; F87-E89 VanDerWaalsContact C-N 3.35Å; F87-E89 PolarHBondContact O-N 2.98Å; F87-V90 PolarHBondContact O-N 2.71Å; F87-A91 HydrophobicContact CD1-CB 4.43Å; F87-A91 WeakPolarHBondContact O-CB 3.45Å; F87-A91 PolarHBondContact O-N 3.17Å; F87-I147 HydrophobicContact CE2-CB 4.41Å; F87-I147 HydrophobicContact CE2-CG2 3.77Å; F87-I147 HydrophobicContact CZ-CB 4.4Å; F87-I147 HydrophobicContact CZ-CG2 4.2Å; F87-M149 HydrophobicContact CB-CE 3.91Å; F87-M149 HydrophobicContact CB-SD 4.24Å; F87-M149 HydrophobicContact CD2-CB 4.4Å; F87-M149 HydrophobicContact CD2-CE 3.48Å; F87-M149 VanDerWaalsContact CD2-CE 3.48Å; F87-M149 HydrophobicContact CD2-SD 4.28Å; F87-M149 HydrophobicContact CE2-CB 4.1Å; F87-M149 HydrophobicContact CE2-CE 4.18Å; F87-M149 HydrophobicContact CG-CE 3.87Å; F87-M149 HydrophobicContact CG-SD 4.21Å; F87-M149 HydrophobicContact CZ-CB 4.2Å
88	S	82.2	Confident	81.6	Confident	43 Å²	43	68.8 Å²	68.8	30%	0.301	36%	0.355	S	S	.	.	H	α-helix	trans	-60.9	-41.6	176.6	-50.9	0	0	0	0	112.6	R64 R86 A91 T92	R64-S88 PolarHBondContact NH1-OG 2.99Å; R86-S88 PolarHBondContact O-N 3.25Å; R86-S88 VanDerWaalsContact O-N 3.14Å; S88-A91 PolarHBondContact O-N 3.37Å; S88-T92 PolarHBondContact O-N 3.49Å; S88-T92 PolarHBondContact O-OG1 3.32Å
89	E	85.7	Confident	81.3	Confident	113 Å²	113	69.3 Å²	69.3	53%	0.528	36%	0.362	S	S	.	.	H	α-helix	trans	-70.2	-45.1	179.4	-67.7	178.3	-152	0	0	110.9	V85 R86 F87 A91 T92 Q93	V85-E89 HydrophobicContact CG1-CB 4.1Å; R86-E89 HydrophobicContact CB-CG 4.44Å; R86-E89 PolarHBondContact O-N 3.04Å; F87-E89 VanDerWaalsContact C-N 3.35Å; F87-E89 PolarHBondContact O-N 2.98Å; E89-A91 VanDerWaalsContact C-N 3.28Å; E89-A91 PolarHBondContact O-N 2.74Å; E89-T92 PolarHBondContact O-N 3.23Å; E89-Q93 VanDerWaalsContact O-CG 3.31Å; E89-Q93 WeakPolarHBondContact O-CG 3.13Å; E89-Q93 PolarHBondContact O-N 3.17Å
90	V	84.7	Confident	80.6	Confident	2 Å²	2	75.2 Å²	75.2	1%	0.012	38%	0.379	C	S	.	.	H	α-helix	trans	-60.1	-42.3	175.1	-175.3	0	0	0	0	110.1	I66 A77 K80 L81 V85 R86 F87 T92 Q93 Y94	I66-V90 HydrophobicContact CD1-CB 4.15Å; I66-V90 HydrophobicContact CD1-CG1 3.91Å; A77-V90 HydrophobicContact CB-CG1 3.57Å; K80-V90 HydrophobicContact CB-CG1 4.4Å; K80-V90 HydrophobicContact CB-CG2 3.68Å; L81-V90 HydrophobicContact CD2-CB 4.3Å; L81-V90 HydrophobicContact CD2-CG2 4.01Å; L81-V90 HydrophobicContact CG-CG1 4.37Å; L81-V90 HydrophobicContact CG-CG2 4.33Å; V85-V90 HydrophobicContact CB-CG2 4.01Å; V85-V90 HydrophobicContact CG1-CG2 3.8Å; R86-V90 PolarHBondContact O-N 2.92Å; R86-V90 VanDerWaalsContact O-N 3.15Å; F87-V90 PolarHBondContact O-N 2.71Å; V90-T92 PolarHBondContact O-N 2.98Å; V90-Q93 PolarHBondContact O-N 3.24Å; V90-Y94 HydrophobicContact CB-CD2 4.47Å; V90-Y94 HydrophobicContact CG1-CD2 3.65Å; V90-Y94 HydrophobicContact CG1-CE2 4.3Å; V90-Y94 HydrophobicContact CG1-CG 4.41Å; V90-Y94 WeakPolarHBondContact O-CB 3.47Å; V90-Y94 WeakPolarHBondContact O-CD2 3.4Å; V90-Y94 PolarHBondContact O-N 3.3Å
91	A	83.6	Confident	80.2	Confident	0 Å²	0	75.9 Å²	75.9	0%	0	38%	0.383	C	S	.	.	H	α-helix	trans	-64	-41.1	176.1	0	0	0	0	0	112.7	I66 F87 S88 E89 Q93 S95 G102	I66-A91 HydrophobicContact CD1-CB 4.15Å; I66-A91 HydrophobicContact CG1-CB 3.59Å; F87-A91 HydrophobicContact CD1-CB 4.43Å; F87-A91 WeakPolarHBondContact O-CB 3.45Å; F87-A91 PolarHBondContact O-N 3.17Å; S88-A91 PolarHBondContact O-N 3.37Å; E89-A91 VanDerWaalsContact C-N 3.28Å; E89-A91 PolarHBondContact O-N 2.74Å; A91-Q93 VanDerWaalsContact C-N 3.26Å; A91-Q93 PolarHBondContact O-N 2.98Å; A91-S95 WeakPolarHBondContact O-CA 3.14Å; A91-S95 WeakPolarHBondContact O-CB 3.42Å; A91-S95 PolarHBondContact O-N 3.35Å; A91-G102 WeakPolarHBondContact CB-O 3.41Å
92	T	82.6	Confident	79.8	Confident	71 Å²	71	75.3 Å²	75.3	44%	0.436	38%	0.381	S	S	.	.	H	α-helix	trans	-65.3	-31.2	177.1	-61.1	0	0	0	0	112.7	S88 E89 V90 A99	S88-T92 PolarHBondContact O-N 3.49Å; S88-T92 PolarHBondContact O-OG1 3.32Å; E89-T92 PolarHBondContact O-N 3.23Å; V90-T92 PolarHBondContact O-N 2.98Å; T92-A99 WeakPolarHBondContact CA-O 3.19Å; T92-A99 WeakPolarHBondContact CB-O 3.28Å; T92-A99 PolarHBondContact OG1-O 3.22Å
93	Q	83.8	Confident	79.7	Confident	150 Å²	150	68.9 Å²	68.9	70%	0.701	35%	0.354	S	S	*	.	H	α-helix	trans	-86.8	-40.1	-179	-66	-65.8	-33.3	0	0	113.4	E89 V90 A91	E89-Q93 VanDerWaalsContact O-CG 3.31Å; E89-Q93 WeakPolarHBondContact O-CG 3.13Å; E89-Q93 PolarHBondContact O-N 3.17Å; V90-Q93 PolarHBondContact O-N 3.24Å; A91-Q93 VanDerWaalsContact C-N 3.26Å; A91-Q93 PolarHBondContact O-N 2.98Å
94	Y	82.4	Confident	79.6	Confident	36 Å²	36	66.6 Å²	66.6	14%	0.141	33%	0.33	C	S	.	.	H	α-helix	trans	-112.1	-20.3	-168.3	-65.4	-84.7	0	0	0	114.3	C68 K73 E76 A77 K80 V90	C68-Y94 PolarHBondContact SG-O 3.33Å; K73-Y94 HydrophobicContact CB-CD1 4.32Å; E76-Y94 HydrophobicContact CB-CD1 4.34Å; E76-Y94 HydrophobicContact CB-CE1 3.55Å; E76-Y94 HydrophobicContact CG-CE1 4.47Å; E76-Y94 PolarHBondContact OE2-OH 3.32Å; A77-Y94 HydrophobicContact CB-CD1 4.41Å; A77-Y94 HydrophobicContact CB-CD2 4.23Å; A77-Y94 HydrophobicContact CB-CG 3.97Å; K80-Y94 HydrophobicContact CG-CE2 3.99Å; V90-Y94 HydrophobicContact CB-CD2 4.47Å; V90-Y94 HydrophobicContact CG1-CD2 3.65Å; V90-Y94 HydrophobicContact CG1-CE2 4.3Å; V90-Y94 HydrophobicContact CG1-CG 4.41Å; V90-Y94 WeakPolarHBondContact O-CB 3.47Å; V90-Y94 WeakPolarHBondContact O-CD2 3.4Å; V90-Y94 PolarHBondContact O-N 3.3Å
95	S	80.9	Confident	79.6	Confident	9 Å²	9	66.2 Å²	66.2	6%	0.063	31%	0.312	C	S	.	.			trans	-76.2	130.2	-178.8	-159.8	0	0	0	0	110.7	L67 A91 D97 A99	L67-S95 PolarHBondContact N-OG 3.31Å; L67-S95 CarbonylContact O-C 3.45Å; L67-S95 WeakPolarHBondContact O-CA 3.42Å; A91-S95 WeakPolarHBondContact O-CA 3.14Å; A91-S95 WeakPolarHBondContact O-CB 3.42Å; A91-S95 PolarHBondContact O-N 3.35Å; S95-D97 VanDerWaalsContact C-N 3.29Å; S95-D97 VanDerWaalsContact CB-O 3.3Å; S95-D97 WeakPolarHBondContact CB-O 3.5Å; S95-D97 PolarHBondContact OG-N 3.4Å; S95-D97 PolarHBondContact OG-O 3.26Å; S95-A99 WeakPolarHBondContact O-CB 3.3Å
96	E	78.4	Confident	79.6	Confident	105 Å²	105	64.5 Å²	64.5	49%	0.491	31%	0.306	S	S	.	.	S	Bend	trans	-82	-15.1	169.1	-60.7	-91.2	128.2	0	0	110.7	L67 E69 K73	L67-E96 PolarHBondContact O-N 3.05Å; E69-E96 HydrophobicContact CG-CG 4.41Å; K73-E96 IonicContact NZ-OE1 2.74Å; K73-E96 PolarHBondContact NZ-OE1 3.23Å
97	D	71.9	Confident	79.6	Confident	57 Å²	57	63.7 Å²	63.7	31%	0.305	30%	0.302	S	S	.	.	S	Bend	trans	-115.1	136.9	175.9	-173.9	-119.8	0	0	0	111.9	H65 L67 S95 A99	H65-D97 IonicContact CD2-OD1 3.89Å; H65-D97 IonicContact CE1-OD1 3.33Å; H65-D97 PolarHBondContact CE1-OD1 3.11Å; H65-D97 IonicContact NE2-OD1 2.71Å; H65-D97 PolarHBondContact NE2-OD1 3.34Å; L67-D97 HydrophobicContact CB-CB 3.86Å; L67-D97 HydrophobicContact CD2-CB 3.85Å; L67-D97 HydrophobicContact CG-CB 4.48Å; S95-D97 VanDerWaalsContact C-N 3.29Å; S95-D97 VanDerWaalsContact CB-O 3.3Å; S95-D97 WeakPolarHBondContact CB-O 3.5Å; S95-D97 PolarHBondContact OG-N 3.4Å; S95-D97 PolarHBondContact OG-O 3.26Å; D97-A99 PolarHBondContact O-N 2.96Å
98	K	68.8	Low	79.5	Confident	93 Å²	93	65.4 Å²	65.4	40%	0.404	31%	0.311	S	S	.	.	S	Bend	trans	48.9	28.7	174.6	-64.8	-61.4	-159.3	151.1	0	115.7	R100 Q101 G102 G103 L105	K98-R100 PolarHBondContact O-N 3.14Å; K98-R100 VanDerWaalsContact O-N 3.14Å; K98-Q101 CarbonylContact O-C 3.53Å; K98-Q101 WeakPolarHBondContact O-CA 3.33Å; K98-Q101 PolarHBondContact O-N 2.88Å; K98-G102 PolarHBondContact O-N 2.93Å; K98-G103 PolarHBondContact O-N 2.82Å; K98-L105 HydrophobicContact CG-CD1 4.23Å
99	A	75	Confident	79.5	Confident	26 Å²	26	66.7 Å²	66.7	22%	0.215	32%	0.317	C	S	.	.	G	3₁₀ helix	trans	-52.8	-38.1	178	0	0	0	0	0	113.2	T92 S95 D97 Q101 G102	T92-A99 WeakPolarHBondContact CA-O 3.19Å; T92-A99 WeakPolarHBondContact CB-O 3.28Å; T92-A99 PolarHBondContact OG1-O 3.22Å; S95-A99 WeakPolarHBondContact O-CB 3.3Å; D97-A99 PolarHBondContact O-N 2.96Å; A99-Q101 PolarHBondContact O-N 2.61Å; A99-G102 PolarHBondContact O-N 3.03Å; A99-G102 VanDerWaalsContact O-N 3.11Å
100	R	71.7	Confident	78.8	Confident	251 Å²	251	68.4 Å²	68.4	95%	0.947	32%	0.319	S	S	*	.	G	3₁₀ helix	trans	-62.5	-24.5	176.4	-80.4	-178.3	145	-177.2	-5.8	114.3	K98	K98-R100 PolarHBondContact O-N 3.14Å; K98-R100 VanDerWaalsContact O-N 3.14Å
101	Q	77.1	Confident	78.3	Confident	109 Å²	109	71.3 Å²	71.3	51%	0.509	35%	0.349	S	S	.	.	G	3₁₀ helix	trans	-105.8	13.4	-179.8	-68.9	167.4	-8.2	0	0	111	K98 A99 G103 D104	K98-Q101 CarbonylContact O-C 3.53Å; K98-Q101 WeakPolarHBondContact O-CA 3.33Å; K98-Q101 PolarHBondContact O-N 2.88Å; A99-Q101 PolarHBondContact O-N 2.61Å; Q101-G103 PolarHBondContact O-N 3.23Å; Q101-D104 WeakPolarHBondContact O-CB 3.2Å; Q101-D104 PolarHBondContact O-N 2.74Å
102	G	76.4	Confident	77.7	Confident	4 Å²	4	74.9 Å²	74.9	4%	0.041	37%	0.374	C	S	.	.	T	Hydrogen-bonded Turn	trans	60.5	28.8	-174.5	0	0	0	0	0	112.7	R64 A91 K98 A99 D104	R64-G102 WeakPolarHBondContact CD-O 3.45Å; R64-G102 WeakPolarHBondContact CG-O 3.47Å; A91-G102 WeakPolarHBondContact CB-O 3.41Å; K98-G102 PolarHBondContact O-N 2.93Å; A99-G102 PolarHBondContact O-N 3.03Å; A99-G102 VanDerWaalsContact O-N 3.11Å; G102-D104 VanDerWaalsContact C-N 3.33Å; G102-D104 PolarHBondContact O-N 3.35Å
103	G	78.4	Confident	77.2	Confident	0 Å²	0	72.6 Å²	72.6	0%	0	36%	0.359	C	S	.	.	T	Hydrogen-bonded Turn	trans	79.5	8.6	179.9	0	0	0	0	0	115.2	R64 H65 K98 Q101 L105	R64-G103 CarbonylContact C-O 3.54Å; R64-G103 VanDerWaalsContact CA-O 3.32Å; R64-G103 WeakPolarHBondContact CA-O 3.41Å; R64-G103 VanDerWaalsContact CG-C 3.45Å; R64-G103 VanDerWaalsContact CG-O 3.28Å; R64-G103 WeakPolarHBondContact CG-O 3.31Å; H65-G103 PolarHBondContact N-O 3.33Å; H65-G103 WeakPolarHBondContact O-CA 3.32Å; K98-G103 PolarHBondContact O-N 2.82Å; Q101-G103 PolarHBondContact O-N 3.23Å; G103-L105 PolarHBondContact O-N 2.74Å
104	D	82.4	Confident	77	Confident	30 Å²	30	68.5 Å²	68.5	16%	0.16	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.1	118.2	-177.5	-154.5	-89.2	0	0	0	111	K62 R64 Q101 G102 G106	K62-D104 IonicContact NZ-OD2 3.74Å; R64-D104 IonicContact CZ-OD2 3.62Å; R64-D104 IonicContact NE-OD2 3.35Å; R64-D104 PolarHBondContact NE-OD2 3.18Å; R64-D104 IonicContact NH2-OD2 2.98Å; R64-D104 PolarHBondContact NH2-OD2 3.49Å; Q101-D104 WeakPolarHBondContact O-CB 3.2Å; Q101-D104 PolarHBondContact O-N 2.74Å; G102-D104 VanDerWaalsContact C-N 3.33Å; G102-D104 PolarHBondContact O-N 3.35Å; D104-G106 VanDerWaalsContact C-N 3.35Å; D104-G106 WeakPolarHBondContact OD1-CA 3.27Å; D104-G106 PolarHBondContact OD1-N 3.05Å
105	L	79.3	Confident	77	Confident	57 Å²	57	68.9 Å²	68.9	30%	0.298	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-9	173.1	-108.3	67.5	0	0	0	112.6	V63 H65 K98 G103	V63-L105 WeakPolarHBondContact O-CB 3.38Å; V63-L105 PolarHBondContact O-N 2.92Å; H65-L105 WeakPolarHBondContact CE1-CD1 3.44Å; H65-L105 WeakPolarHBondContact ND1-CD1 3.48Å; K98-L105 HydrophobicContact CG-CD1 4.23Å; G103-L105 PolarHBondContact O-N 2.74Å
106	G	82.6	Confident	77.1	Confident	16 Å²	16	71.6 Å²	71.6	17%	0.165	38%	0.376	C	S	.	.	E	Extended strand (participates in β ladder)	trans	66.4	-149.5	-171.5	0	0	0	0	0	111.9	K62 V63 D104 M108	K62-G106 VanDerWaalsContact CA-O 3.3Å; K62-G106 WeakPolarHBondContact CA-O 3.42Å; V63-G106 PolarHBondContact N-O 3.46Å; V63-G106 VanDerWaalsContact N-O 3.13Å; D104-G106 VanDerWaalsContact C-N 3.35Å; D104-G106 WeakPolarHBondContact OD1-CA 3.27Å; D104-G106 PolarHBondContact OD1-N 3.05Å; G106-M108 PolarHBondContact O-N 2.98Å
107	W	83.4	Confident	77.3	Confident	153 Å²	153	67 Å²	67	58%	0.58	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82	116.1	-175.5	-66.9	87.9	0	0	0	111.4	A60 K62 K154	A60-W107 HydrophobicContact CB-CE3 4.1Å; K62-W107 HydrophobicContact CB-CD2 4.2Å; K62-W107 HydrophobicContact CB-CE3 4.35Å; W107-K154 HydrophobicContact CH2-CB 4.26Å; W107-K154 HydrophobicContact CZ3-CB 3.71Å
108	M	79.2	Confident	77.8	Confident	49 Å²	49	66.1 Å²	66.1	24%	0.241	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	132.5	-179.3	-151.3	56.6	172.5	0	0	111.6	A60 V61 G106 S112 M113	A60-M108 CarbonylContact C-O 3.56Å; A60-M108 WeakPolarHBondContact CA-O 3.29Å; V61-M108 WeakPolarHBondContact CG2-O 3.49Å; V61-M108 PolarHBondContact N-O 2.93Å; V61-M108 PolarHBondContact O-N 2.82Å; G106-M108 PolarHBondContact O-N 2.98Å; M108-S112 VanDerWaalsContact CE-O 3.24Å; M108-S112 WeakPolarHBondContact CE-O 3.39Å; M108-M113 HydrophobicContact CB-CE 4.09Å; M108-M113 HydrophobicContact CB-CG 4.37Å; M108-M113 HydrophobicContact CB-SD 3.81Å; M108-M113 HydrophobicContact CE-CG 4.11Å; M108-M113 HydrophobicContact CG-CE 3.99Å; M108-M113 HydrophobicContact CG-CG 3.38Å; M108-M113 HydrophobicContact CG-SD 3.47Å; M108-M113 WeakPolarHBondContact CG-SD 3.45Å
109	T	81.6	Confident	78.4	Confident	69 Å²	69	68.6 Å²	68.6	42%	0.423	36%	0.362	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88	149.6	179.9	46.3	0	0	0	0	111.5	A60 G111 S112	A60-T109 HydrophobicContact CB-CG2 4.36Å; T109-G111 PolarHBondContact O-N 2.81Å; T109-S112 PolarHBondContact O-N 2.96Å; T109-S112 PolarHBondContact OG1-OG 2.74Å
110	R	71.4	Confident	78.6	Confident	150 Å²	150	68 Å²	68	57%	0.566	36%	0.357	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55	129.7	168.4	-171.5	178.6	-86.5	172.5	-8.7	109.7	T59 F122	T59-R110 PolarHBondContact O-N 3.38Å; R110-F122 HydrophobicContact CB-CE2 4.12Å; R110-F122 HydrophobicContact CB-CZ 3.83Å; R110-F122 HydrophobicContact CG-CE2 4.31Å; R110-F122 HydrophobicContact CG-CZ 4.27Å
111	G	74.2	Confident	78.9	Confident	63 Å²	63	56.1 Å²	56.1	65%	0.649	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	103.8	-15.8	179.5	0	0	0	0	0	115.5	T109	T109-G111 PolarHBondContact O-N 2.81Å
112	S	70.3	Confident	78.9	Confident	75 Å²	75	52.8 Å²	52.8	52%	0.524	30%	0.296	S	S	.	.	S	Bend	trans	-98.4	4.3	-178.3	-54.3	0	0	0	0	114.1	M108 T109	M108-S112 VanDerWaalsContact CE-O 3.24Å; M108-S112 WeakPolarHBondContact CE-O 3.39Å; T109-S112 PolarHBondContact O-N 2.96Å; T109-S112 PolarHBondContact OG1-OG 2.74Å
113	M	72.4	Confident	79	Confident	23 Å²	23	56.4 Å²	56.4	11%	0.113	33%	0.326	C	S	.	.	S	Bend	trans	-118.8	155.5	-177	-65.7	179.3	-76.3	0	0	110.8	V61 M108 F117 Q118 F122	V61-M113 HydrophobicContact CG2-CE 3.78Å; M108-M113 HydrophobicContact CB-CE 4.09Å; M108-M113 HydrophobicContact CB-CG 4.37Å; M108-M113 HydrophobicContact CB-SD 3.81Å; M108-M113 HydrophobicContact CE-CG 4.11Å; M108-M113 HydrophobicContact CG-CE 3.99Å; M108-M113 HydrophobicContact CG-CG 3.38Å; M108-M113 HydrophobicContact CG-SD 3.47Å; M108-M113 WeakPolarHBondContact CG-SD 3.45Å; M113-F117 HydrophobicContact CB-CD1 4.03Å; M113-F117 HydrophobicContact CG-CD1 4.07Å; M113-F117 HydrophobicContact CG-CE1 4.31Å; M113-F117 HydrophobicContact SD-CD1 3.45Å; M113-F117 WeakPolarHBondContact SD-CD1 3.47Å; M113-F117 HydrophobicContact SD-CE1 3.36Å; M113-F117 WeakPolarHBondContact SD-CE1 3.37Å; M113-Q118 HydrophobicContact CB-CB 4.13Å; M113-Q118 HydrophobicContact CE-CB 4.46Å; M113-Q118 HydrophobicContact CE-CG 4.23Å; M113-F122 HydrophobicContact CE-CE2 4.16Å
114	V	79.2	Confident	78.7	Confident	64 Å²	64	57.3 Å²	57.3	39%	0.388	33%	0.33	S	S	.	.			trans	-60.5	138.8	172.9	-66.7	0	0	0	0	110.3	F117 Q118 T141	V114-F117 HydrophobicContact CG2-CB 3.34Å; V114-F117 HydrophobicContact CG2-CG 4.36Å; V114-F117 WeakPolarHBondContact O-CB 3.46Å; V114-F117 PolarHBondContact O-N 2.72Å; V114-Q118 PolarHBondContact O-N 3.49Å; V114-T141 HydrophobicContact CG2-CG2 3.96Å
115	G	82.6	Confident	78.1	Confident	44 Å²	44	59.6 Å²	59.6	45%	0.454	35%	0.347	S	S	.	.	H	α-helix	trans	-40.8	-58.1	-177.1	0	0	0	0	0	114.5	F117 Q118 E119	G115-F117 VanDerWaalsContact C-N 3.31Å; G115-F117 PolarHBondContact O-N 3.13Å; G115-Q118 PolarHBondContact O-N 3.47Å; G115-E119 WeakPolarHBondContact O-CB 3.3Å; G115-E119 WeakPolarHBondContact O-CG 3.32Å; G115-E119 PolarHBondContact O-N 2.96Å
116	P	82.6	Confident	77.6	Confident	65 Å²	65	60 Å²	60	42%	0.422	35%	0.352	S	S	.	.	H	α-helix	trans	-64.7	-31.8	-178.4	24.4	-35	0	0	0	113.8	A120 V139 T141	P116-A120 VanDerWaalsContact O-CB 3.3Å; P116-A120 WeakPolarHBondContact O-CB 3.4Å; P116-A120 PolarHBondContact O-N 2.86Å; P116-A120 VanDerWaalsContact O-N 3.15Å; P116-V139 HydrophobicContact CB-CG1 3.89Å; P116-T141 HydrophobicContact CG-CG2 4.2Å
117	F	83.2	Confident	76.7	Confident	9 Å²	9	60 Å²	60	4%	0.039	35%	0.349	C	S	.	.	H	α-helix	trans	-70.3	-42.8	175.9	-176.4	-77.6	0	0	0	111	V63 H65 M113 V114 G115 A121 H146 I148	V63-F117 HydrophobicContact CG1-CE1 3.96Å; V63-F117 HydrophobicContact CG1-CZ 3.81Å; H65-F117 HydrophobicContact CB-CE2 3.71Å; H65-F117 HydrophobicContact CB-CZ 4.04Å; H65-F117 AromaticContact CG-CE2 3.84Å; H65-F117 AromaticContact ND1-CE2 3.31Å; H65-F117 VanDerWaalsContact ND1-CE2 3.31Å; H65-F117 WeakPolarHBondContact ND1-CE2 3.32Å; H65-F117 AromaticContact ND1-CZ 3.45Å; H65-F117 WeakPolarHBondContact ND1-CZ 3.39Å; M113-F117 HydrophobicContact CB-CD1 4.03Å; M113-F117 HydrophobicContact CG-CD1 4.07Å; M113-F117 HydrophobicContact CG-CE1 4.31Å; M113-F117 HydrophobicContact SD-CD1 3.45Å; M113-F117 WeakPolarHBondContact SD-CD1 3.47Å; M113-F117 HydrophobicContact SD-CE1 3.36Å; M113-F117 WeakPolarHBondContact SD-CE1 3.37Å; V114-F117 HydrophobicContact CG2-CB 3.34Å; V114-F117 HydrophobicContact CG2-CG 4.36Å; V114-F117 WeakPolarHBondContact O-CB 3.46Å; V114-F117 PolarHBondContact O-N 2.72Å; G115-F117 VanDerWaalsContact C-N 3.31Å; G115-F117 PolarHBondContact O-N 3.13Å; F117-A121 HydrophobicContact CE1-CB 4.43Å; F117-A121 VanDerWaalsContact O-CB 3.28Å; F117-A121 WeakPolarHBondContact O-CB 3.44Å; F117-A121 PolarHBondContact O-N 2.91Å; F117-H146 HydrophobicContact CD2-CB 4.39Å; F117-I148 HydrophobicContact CB-CD1 4.2Å; F117-I148 HydrophobicContact CD1-CD1 4.19Å; F117-I148 HydrophobicContact CD2-CD1 3.32Å; F117-I148 HydrophobicContact CD2-CG1 3.86Å; F117-I148 HydrophobicContact CE1-CD1 4.41Å; F117-I148 HydrophobicContact CE1-CG2 4.46Å; F117-I148 HydrophobicContact CE2-CD1 3.6Å; F117-I148 HydrophobicContact CE2-CG1 3.64Å; F117-I148 HydrophobicContact CE2-CG2 4.39Å; F117-I148 HydrophobicContact CG-CD1 3.64Å; F117-I148 HydrophobicContact CZ-CD1 4.15Å; F117-I148 HydrophobicContact CZ-CG1 4.21Å; F117-I148 HydrophobicContact CZ-CG2 4.09Å
118	Q	81.8	Confident	75.2	Confident	38 Å²	38	56.7 Å²	56.7	18%	0.178	35%	0.35	C	S	.	.	H	α-helix	trans	-63.5	-50	177.6	-176.1	176.9	113.6	0	0	110.8	M113 V114 G115 A120 A121 F122	M113-Q118 HydrophobicContact CB-CB 4.13Å; M113-Q118 HydrophobicContact CE-CB 4.46Å; M113-Q118 HydrophobicContact CE-CG 4.23Å; V114-Q118 PolarHBondContact O-N 3.49Å; G115-Q118 PolarHBondContact O-N 3.47Å; Q118-A120 VanDerWaalsContact C-N 3.29Å; Q118-A120 PolarHBondContact O-N 2.83Å; Q118-A121 PolarHBondContact O-N 2.78Å; Q118-F122 HydrophobicContact CG-CD2 3.58Å; Q118-F122 HydrophobicContact CG-CE2 3.81Å; Q118-F122 WeakPolarHBondContact O-CB 3.45Å; Q118-F122 VanDerWaalsContact O-CD2 3.3Å; Q118-F122 WeakPolarHBondContact O-CD2 3.31Å; Q118-F122 PolarHBondContact O-N 2.83Å
119	E	81.2	Confident	73.8	Confident	145 Å²	145	63 Å²	63	68%	0.678	38%	0.38	S	S	*	.	H	α-helix	trans	-53.7	-48.9	178.2	-66.4	-103.4	126.2	0	0	110.5	G115 F122 A123	G115-E119 WeakPolarHBondContact O-CB 3.3Å; G115-E119 WeakPolarHBondContact O-CG 3.32Å; G115-E119 PolarHBondContact O-N 2.96Å; E119-F122 PolarHBondContact O-N 2.84Å; E119-A123 WeakPolarHBondContact O-CB 3.38Å; E119-A123 PolarHBondContact O-N 3.34Å
120	A	80.6	Confident	72.1	Confident	15 Å²	15	66.8 Å²	66.8	12%	0.124	40%	0.398	C	S	.	.	H	α-helix	trans	-63.1	-48.5	176.5	0	0	0	0	0	113.4	P116 Q118 F122 A123 L124 T135 V139 I148	P116-A120 VanDerWaalsContact O-CB 3.3Å; P116-A120 WeakPolarHBondContact O-CB 3.4Å; P116-A120 PolarHBondContact O-N 2.86Å; P116-A120 VanDerWaalsContact O-N 3.15Å; Q118-A120 VanDerWaalsContact C-N 3.29Å; Q118-A120 PolarHBondContact O-N 2.83Å; A120-F122 VanDerWaalsContact C-N 3.27Å; A120-F122 PolarHBondContact O-N 2.88Å; A120-A123 PolarHBondContact O-N 2.71Å; A120-L124 WeakPolarHBondContact O-CB 3.25Å; A120-L124 VanDerWaalsContact O-CG 3.27Å; A120-L124 WeakPolarHBondContact O-CG 3.49Å; A120-L124 PolarHBondContact O-N 3.33Å; A120-T135 HydrophobicContact CB-CG2 3.75Å; A120-V139 HydrophobicContact CB-CG2 3.52Å; A120-I148 HydrophobicContact CB-CD1 3.79Å
121	A	78.2	Confident	71.3	Confident	0 Å²	0	67.4 Å²	67.4	0%	0	41%	0.405	C	S	.	.	H	α-helix	trans	-62.6	-34.5	178	0	0	0	0	0	112.2	V63 F117 Q118 I148 V150 K153	V63-A121 HydrophobicContact CG1-CB 4.35Å; V63-A121 HydrophobicContact CG2-CB 4.17Å; F117-A121 HydrophobicContact CE1-CB 4.43Å; F117-A121 VanDerWaalsContact O-CB 3.28Å; F117-A121 WeakPolarHBondContact O-CB 3.44Å; F117-A121 PolarHBondContact O-N 2.91Å; Q118-A121 PolarHBondContact O-N 2.78Å; A121-I148 HydrophobicContact CB-CG2 4.1Å; A121-V150 HydrophobicContact CB-CG2 4.32Å; A121-V150 WeakPolarHBondContact O-CG2 3.1Å; A121-K153 VanDerWaalsContact O-CE 3.31Å; A121-K153 WeakPolarHBondContact O-CE 3.49Å; A121-K153 PolarHBondContact O-NZ 3.3Å; A121-K153 VanDerWaalsContact O-NZ 3.13Å
122	F	75.7	Confident	70.8	Confident	39 Å²	39	67.6 Å²	67.6	17%	0.171	40%	0.395	C	S	.	.	H	α-helix	trans	-78.9	-33.8	176.5	-86.5	-88.4	0	0	0	112.7	T59 V61 R110 M113 Q118 E119 A120 K153	T59-F122 HydrophobicContact CG2-CE1 3.56Å; T59-F122 HydrophobicContact CG2-CZ 4.13Å; V61-F122 HydrophobicContact CG1-CD1 4.47Å; V61-F122 HydrophobicContact CG1-CE1 3.94Å; V61-F122 HydrophobicContact CG1-CE2 4.16Å; V61-F122 HydrophobicContact CG1-CZ 3.75Å; V61-F122 HydrophobicContact CG2-CE2 4.12Å; V61-F122 HydrophobicContact CG2-CZ 4.4Å; R110-F122 HydrophobicContact CB-CE2 4.12Å; R110-F122 HydrophobicContact CB-CZ 3.83Å; R110-F122 HydrophobicContact CG-CE2 4.31Å; R110-F122 HydrophobicContact CG-CZ 4.27Å; M113-F122 HydrophobicContact CE-CE2 4.16Å; Q118-F122 HydrophobicContact CG-CD2 3.58Å; Q118-F122 HydrophobicContact CG-CE2 3.81Å; Q118-F122 WeakPolarHBondContact O-CB 3.45Å; Q118-F122 VanDerWaalsContact O-CD2 3.3Å; Q118-F122 WeakPolarHBondContact O-CD2 3.31Å; Q118-F122 PolarHBondContact O-N 2.83Å; E119-F122 PolarHBondContact O-N 2.84Å; A120-F122 VanDerWaalsContact C-N 3.27Å; A120-F122 PolarHBondContact O-N 2.88Å; F122-K153 PolarHBondContact O-NZ 3.31Å
123	A	78.4	Confident	70.7	Confident	81 Å²	81	66.3 Å²	66.3	67%	0.669	38%	0.384	S	S	*	.	H	α-helix	trans	-67.9	-35.6	173.7	0	0	0	0	0	112.2	E119 A120	E119-A123 WeakPolarHBondContact O-CB 3.38Å; E119-A123 PolarHBondContact O-N 3.34Å; A120-A123 PolarHBondContact O-N 2.71Å
124	L	72	Confident	70.9	Confident	18 Å²	18	67.9 Å²	67.9	9%	0.094	39%	0.389	C	S	.	.	S	Bend	trans	-70.9	122.5	176.8	-75.2	-176.2	0	0	0	111.2	A120 V133 T135 I148 V150 K153	A120-L124 WeakPolarHBondContact O-CB 3.25Å; A120-L124 VanDerWaalsContact O-CG 3.27Å; A120-L124 WeakPolarHBondContact O-CG 3.49Å; A120-L124 PolarHBondContact O-N 3.33Å; L124-V133 HydrophobicContact CD2-CG1 3.59Å; L124-T135 HydrophobicContact CD1-CG2 3.61Å; L124-T135 HydrophobicContact CD2-CG2 4.32Å; L124-T135 HydrophobicContact CG-CG2 3.98Å; L124-I148 HydrophobicContact CD1-CB 4.36Å; L124-I148 HydrophobicContact CD1-CG2 4.5Å; L124-I148 WeakPolarHBondContact CD1-O 3.01Å; L124-V150 HydrophobicContact CB-CG2 4.1Å; L124-K153 WeakPolarHBondContact O-CE 3.3Å; L124-K153 PolarHBondContact O-NZ 3.3Å
125	P	70.3	Confident	70.6	Confident	78 Å²	78	65.5 Å²	65.5	51%	0.506	37%	0.374	S	S	.	.	P	Polyproline II helix	trans	-63.4	159.9	172	28.2	-34.5	0	0	0	111.3	S127 V133	P125-S127 PolarHBondContact O-N 2.58Å; P125-V133 HydrophobicContact CG-CG1 4.48Å; P125-V133 HydrophobicContact CG-CG2 4.25Å
126	V	69.3	Low	70	Confident	67 Å²	67	68 Å²	68	41%	0.406	38%	0.377	S	S	.	.	P	Polyproline II helix	trans	-59.4	122.2	170.3	177.7	0	0	0	0	108	V150 E151 K153	V126-V150 HydrophobicContact CG2-CG1 4.41Å; V126-E151 WeakPolarHBondContact CG1-O 3.21Å; V126-K153 HydrophobicContact CG2-CB 3.67Å; V126-K153 HydrophobicContact CG2-CD 3.95Å; V126-K153 HydrophobicContact CG2-CG 3.44Å; V126-K153 VanDerWaalsContact CG2-CG 3.44Å
127	S	62.2	Low	69.4	Low	15 Å²	15	69.6 Å²	69.6	11%	0.105	39%	0.388	C	S	.	.	P	Polyproline II helix	trans	-97.1	143.2	179.8	60.3	0	0	0	0	111.5	P125 K131 V150	P125-S127 PolarHBondContact O-N 2.58Å; S127-K131 VanDerWaalsContact CB-O 3.31Å; S127-K131 WeakPolarHBondContact CB-O 3.39Å; S127-V150 PolarHBondContact N-O 2.79Å; S127-V150 PolarHBondContact OG-O 3.13Å
128	S	53.7	Low	69.3	Low	84 Å²	84	70.7 Å²	70.7	59%	0.587	40%	0.396	S	S	*	.	B	Isolated β-bridge	trans	-115.3	164.5	174.6	-65.8	0	0	0	0	109.2	D130 K131	S128-D130 PolarHBondContact O-N 2.89Å; S128-K131 CarbonylContact O-C 3.52Å; S128-K131 VanDerWaalsContact O-C 3.25Å; S128-K131 PolarHBondContact O-N 2.79Å
129	M	49.1	Very low	69.4	Low	180 Å²	180	69.8 Å²	69.8	89%	0.887	39%	0.393	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.7	-24.6	-169.9	-62.9	-147.2	170.8	0	0	114.9
130	D	46.3	Very low	69.5	Low	150 Å²	150	69.9 Å²	69.9	80%	0.802	39%	0.391	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-25.5	178	-54.8	-83.6	0	0	0	114.5	S128	S128-D130 PolarHBondContact O-N 2.89Å
131	K	53.8	Low	69.6	Low	162 Å²	162	70.1 Å²	70.1	70%	0.704	39%	0.391	S	S	*	.	B	Isolated β-bridge	trans	-142.9	77	180	-72.7	-178.3	-67.2	-138.5	0	109.4	S127 S128 V133	S127-K131 VanDerWaalsContact CB-O 3.31Å; S127-K131 WeakPolarHBondContact CB-O 3.39Å; S128-K131 CarbonylContact O-C 3.52Å; S128-K131 VanDerWaalsContact O-C 3.25Å; S128-K131 PolarHBondContact O-N 2.79Å; K131-V133 WeakPolarHBondContact O-CG2 3.41Å; K131-V133 PolarHBondContact O-N 3.28Å
132	P	64.9	Low	69.7	Low	67 Å²	67	80.3 Å²	80.3	44%	0.435	44%	0.435	S	S	.	.			trans	-62.1	111.1	173.1	25.5	-31.9	0	0	0	108.2	Y134 M149	P132-Y134 HydrophobicContact CB-CD1 4.28Å; P132-Y134 HydrophobicContact CB-CE1 4.39Å; P132-Y134 HydrophobicContact CG-CE1 4.39Å; P132-Y134 WeakPolarHBondContact O-CD1 3.31Å; P132-Y134 WeakPolarHBondContact O-CE1 3.39Å; P132-M149 HydrophobicContact CB-CE 3.84Å
133	V	68	Low	69.8	Low	48 Å²	48	84.4 Å²	84.4	29%	0.291	45%	0.453	S	S	.	.			trans	-97.6	110.3	175.9	-163.2	0	0	0	0	106.7	L124 P125 K131	L124-V133 HydrophobicContact CD2-CG1 3.59Å; P125-V133 HydrophobicContact CG-CG1 4.48Å; P125-V133 HydrophobicContact CG-CG2 4.25Å; K131-V133 WeakPolarHBondContact O-CG2 3.41Å; K131-V133 PolarHBondContact O-N 3.28Å
134	Y	76.1	Confident	70.2	Confident	56 Å²	56	81.1 Å²	81.1	22%	0.22	43%	0.427	C	S	.	.	B	Isolated β-bridge	trans	-116.2	158.3	173.1	44	-93.8	0	0	0	109.6	M78 P132 D136 I148 M149	M78-Y134 HydrophobicContact CE-CD2 4.33Å; M78-Y134 HydrophobicContact CE-CE2 4.44Å; M78-Y134 HydrophobicContact SD-CE2 4.28Å; P132-Y134 HydrophobicContact CB-CD1 4.28Å; P132-Y134 HydrophobicContact CB-CE1 4.39Å; P132-Y134 HydrophobicContact CG-CE1 4.39Å; P132-Y134 WeakPolarHBondContact O-CD1 3.31Å; P132-Y134 WeakPolarHBondContact O-CE1 3.39Å; Y134-D136 PolarHBondContact O-N 2.82Å; Y134-I148 CarbonylContact C-O 3.56Å; Y134-I148 WeakPolarHBondContact CA-O 3.06Å; Y134-M149 HydrophobicContact CD1-CE 4.36Å
135	T	72.1	Confident	70.9	Confident	14 Å²	14	83 Å²	83	9%	0.086	43%	0.434	C	S	.	.			trans	-69.4	112.2	173.6	45.5	0	0	0	0	110.8	A120 L124 P137 V139 I148	A120-T135 HydrophobicContact CB-CG2 3.75Å; L124-T135 HydrophobicContact CD1-CG2 3.61Å; L124-T135 HydrophobicContact CD2-CG2 4.32Å; L124-T135 HydrophobicContact CG-CG2 3.98Å; T135-P137 CarbonylContact C-O 3.25Å; T135-P137 CarbonylContact O-C 3.55Å; T135-V139 HydrophobicContact CG2-CG2 3.84Å; T135-I148 HydrophobicContact CG2-CB 4.26Å; T135-I148 PolarHBondContact N-O 3.39Å; T135-I148 PolarHBondContact OG1-N 3.36Å
136	D	70.1	Confident	71.6	Confident	96 Å²	96	79.8 Å²	79.8	51%	0.513	41%	0.412	S	S	.	.	S	Bend	trans	-118.5	110.2	163.4	-166.5	-16.8	0	0	0	107.3	M78 K82 Y134	M78-D136 HydrophobicContact CE-CB 3.57Å; M78-D136 VanDerWaalsContact CE-CG 3.42Å; K82-D136 IonicContact NZ-OD2 3.81Å; Y134-D136 PolarHBondContact O-N 2.82Å
137	P	71.6	Confident	72.4	Confident	100 Å²	100	76.6 Å²	76.6	65%	0.649	39%	0.392	S	S	*	.	S	Bend	cis	-81.9	164	9.9	32	-35.8	0	0	0	115	T135 V139	T135-P137 CarbonylContact C-O 3.25Å; T135-P137 CarbonylContact O-C 3.55Å; P137-V139 PolarHBondContact O-N 3.35Å
138	P	80.7	Confident	73.5	Confident	32 Å²	32	75.9 Å²	75.9	21%	0.208	39%	0.387	C	S	.	.	P	Polyproline II helix	trans	-57.5	135.8	174.9	-20.1	30.4	0	0	0	112.3	C74 M78 K140 Y145 H146 I147	C74-P138 WeakPolarHBondContact SG-CG 3.14Å; M78-P138 HydrophobicContact CE-CG 4.41Å; P138-K140 PolarHBondContact O-N 2.76Å; P138-Y145 HydrophobicContact CB-CD1 4.18Å; P138-H146 CarbonylContact C-O 3.57Å; P138-H146 WeakPolarHBondContact CA-O 3.28Å; P138-I147 HydrophobicContact CB-CG1 4.16Å; P138-I147 HydrophobicContact CG-CG1 4.23Å
139	V	83.9	Confident	74.8	Confident	19 Å²	19	72.8 Å²	72.8	12%	0.115	36%	0.364	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	116.2	179.9	-178.5	0	0	0	0	109.7	P116 A120 T135 P137 T141 H146 I148	P116-V139 HydrophobicContact CB-CG1 3.89Å; A120-V139 HydrophobicContact CB-CG2 3.52Å; T135-V139 HydrophobicContact CG2-CG2 3.84Å; P137-V139 PolarHBondContact O-N 3.35Å; V139-T141 HydrophobicContact CG1-CG2 4.17Å; V139-H146 HydrophobicContact CB-CB 4.3Å; V139-H146 PolarHBondContact N-O 2.69Å; V139-H146 PolarHBondContact O-CD2 3.31Å; V139-H146 PolarHBondContact O-N 2.79Å; V139-I148 HydrophobicContact CB-CD1 4.23Å; V139-I148 HydrophobicContact CG2-CD1 3.77Å; V139-I148 HydrophobicContact CG2-CG1 4.37Å
140	K	81.7	Confident	76.5	Confident	147 Å²	147	64.2 Å²	64.2	64%	0.639	32%	0.322	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-79.2	125.5	174.9	-170.1	176.2	-179.7	178	0	110.6	P138 G144 Y145	P138-K140 PolarHBondContact O-N 2.76Å; K140-G144 CarbonylContact C-O 3.51Å; K140-G144 WeakPolarHBondContact CA-O 3.26Å; K140-Y145 HydrophobicContact CB-CD1 4.43Å; K140-Y145 HydrophobicContact CB-CE1 4.35Å; K140-Y145 HydrophobicContact CD-CE1 4.35Å; K140-Y145 HydrophobicContact CG-CE1 4.35Å
141	T	83.3	Confident	78.1	Confident	19 Å²	19	60.2 Å²	60.2	12%	0.117	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-177.1	171.4	86	0	0	0	0	110.1	V114 P116 V139 F143 G144 H146	V114-T141 HydrophobicContact CG2-CG2 3.96Å; P116-T141 HydrophobicContact CG-CG2 4.2Å; V139-T141 HydrophobicContact CG1-CG2 4.17Å; T141-F143 PolarHBondContact O-N 2.8Å; T141-F143 PolarHBondContact OG1-N 2.87Å; T141-F143 VanDerWaalsContact OG1-N 3.1Å; T141-G144 PolarHBondContact N-O 3.24Å; T141-G144 PolarHBondContact O-N 2.8Å; T141-H146 WeakPolarHBondContact CG2-CD2 3.3Å; T141-H146 PolarHBondContact OG1-CD2 3.46Å; T141-H146 VanDerWaalsContact OG1-CD2 3.31Å; T141-H146 PolarHBondContact OG1-NE2 3.1Å
142	K	81.6	Confident	79.2	Confident	214 Å²	214	53.1 Å²	53.1	93%	0.93	27%	0.271	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.5	-20.3	174	-66.6	-178.7	178.3	175.8	0	113.3
143	F	78	Confident	79.7	Confident	126 Å²	126	53.1 Å²	53.1	55%	0.553	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-92.7	-8.7	179.8	-57.1	-75.5	0	0	0	113.1	L67 T141	L67-F143 HydrophobicContact CD1-CB 3.87Å; L67-F143 WeakPolarHBondContact CD1-O 3.19Å; L67-F143 HydrophobicContact CD2-CB 4.1Å; T141-F143 PolarHBondContact O-N 2.8Å; T141-F143 PolarHBondContact OG1-N 2.87Å; T141-F143 VanDerWaalsContact OG1-N 3.1Å
144	G	85.4	Confident	79.9	Confident	12 Å²	12	57.5 Å²	57.5	12%	0.124	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	124.8	-144.3	-177.1	0	0	0	0	0	112.5	K140 T141	K140-G144 CarbonylContact C-O 3.51Å; K140-G144 WeakPolarHBondContact CA-O 3.26Å; T141-G144 PolarHBondContact N-O 3.24Å; T141-G144 PolarHBondContact O-N 2.8Å
145	Y	86.9	Confident	80.1	Confident	58 Å²	58	57.6 Å²	57.6	23%	0.227	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.5	128.3	-177.1	-64.1	-85.2	0	0	0	110.6	L67 C68 H71 P138 K140	L67-Y145 WeakPolarHBondContact CA-O 3.37Å; C68-Y145 PolarHBondContact N-O 3.38Å; C68-Y145 PolarHBondContact O-N 3.29Å; H71-Y145 HydrophobicContact CB-CE2 4.03Å; H71-Y145 AromaticContact CD2-CZ 3.81Å; P138-Y145 HydrophobicContact CB-CD1 4.18Å; K140-Y145 HydrophobicContact CB-CD1 4.43Å; K140-Y145 HydrophobicContact CB-CE1 4.35Å; K140-Y145 HydrophobicContact CD-CE1 4.35Å; K140-Y145 HydrophobicContact CG-CE1 4.35Å
146	H	84.9	Confident	80.5	Confident	10 Å²	10	59.8 Å²	59.8	5%	0.046	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.1	123.1	179.9	-60.9	-105.9	0	0	0	110.4	I66 L67 F117 P138 V139 T141 I148	I66-H146 CarbonylContact O-C 3.47Å; I66-H146 VanDerWaalsContact O-CA 3.25Å; I66-H146 WeakPolarHBondContact O-CA 3.46Å; L67-H146 WeakPolarHBondContact CD1-CE1 3.34Å; L67-H146 VanDerWaalsContact CD1-NE2 3.26Å; L67-H146 WeakPolarHBondContact CD1-NE2 3.47Å; F117-H146 HydrophobicContact CD2-CB 4.39Å; P138-H146 CarbonylContact C-O 3.57Å; P138-H146 WeakPolarHBondContact CA-O 3.28Å; V139-H146 HydrophobicContact CB-CB 4.3Å; V139-H146 PolarHBondContact N-O 2.69Å; V139-H146 PolarHBondContact O-CD2 3.31Å; V139-H146 PolarHBondContact O-N 2.79Å; T141-H146 WeakPolarHBondContact CG2-CD2 3.3Å; T141-H146 PolarHBondContact OG1-CD2 3.46Å; T141-H146 VanDerWaalsContact OG1-CD2 3.31Å; T141-H146 PolarHBondContact OG1-NE2 3.1Å; H146-I148 HydrophobicContact CB-CG1 4.23Å
147	I	85.4	Confident	81.1	Confident	0 Å²	0	57.8 Å²	57.8	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.2	122.3	165.6	-52.5	175.8	0	0	0	106.4	H65 I66 A77 M78 L81 F87 P138	H65-I147 CarbonylContact C-O 3.55Å; H65-I147 WeakPolarHBondContact CA-O 3.36Å; H65-I147 WeakPolarHBondContact CB-O 3.45Å; I66-I147 HydrophobicContact CB-CB 4.28Å; I66-I147 PolarHBondContact N-O 3.15Å; I66-I147 PolarHBondContact O-N 2.8Å; A77-I147 HydrophobicContact CB-CD1 4.33Å; M78-I147 HydrophobicContact CG-CD1 4.15Å; L81-I147 HydrophobicContact CD1-CD1 3.98Å; L81-I147 HydrophobicContact CD1-CG2 4.06Å; F87-I147 HydrophobicContact CE2-CB 4.41Å; F87-I147 HydrophobicContact CE2-CG2 3.77Å; F87-I147 HydrophobicContact CZ-CB 4.4Å; F87-I147 HydrophobicContact CZ-CG2 4.2Å; P138-I147 HydrophobicContact CB-CG1 4.16Å; P138-I147 HydrophobicContact CG-CG1 4.23Å
148	I	85.5	Confident	81.7	Confident	0 Å²	0	55.4 Å²	55.4	0%	0	26%	0.258	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	135.9	-173.5	-51.2	175.8	0	0	0	108.6	V63 F117 A120 A121 L124 Y134 T135 V139 H146	V63-I148 HydrophobicContact CG1-CG2 3.24Å; F117-I148 HydrophobicContact CB-CD1 4.2Å; F117-I148 HydrophobicContact CD1-CD1 4.19Å; F117-I148 HydrophobicContact CD2-CD1 3.32Å; F117-I148 HydrophobicContact CD2-CG1 3.86Å; F117-I148 HydrophobicContact CE1-CD1 4.41Å; F117-I148 HydrophobicContact CE1-CG2 4.46Å; F117-I148 HydrophobicContact CE2-CD1 3.6Å; F117-I148 HydrophobicContact CE2-CG1 3.64Å; F117-I148 HydrophobicContact CE2-CG2 4.39Å; F117-I148 HydrophobicContact CG-CD1 3.64Å; F117-I148 HydrophobicContact CZ-CD1 4.15Å; F117-I148 HydrophobicContact CZ-CG1 4.21Å; F117-I148 HydrophobicContact CZ-CG2 4.09Å; A120-I148 HydrophobicContact CB-CD1 3.79Å; A121-I148 HydrophobicContact CB-CG2 4.1Å; L124-I148 HydrophobicContact CD1-CB 4.36Å; L124-I148 HydrophobicContact CD1-CG2 4.5Å; L124-I148 WeakPolarHBondContact CD1-O 3.01Å; Y134-I148 CarbonylContact C-O 3.56Å; Y134-I148 WeakPolarHBondContact CA-O 3.06Å; T135-I148 HydrophobicContact CG2-CB 4.26Å; T135-I148 PolarHBondContact N-O 3.39Å; T135-I148 PolarHBondContact OG1-N 3.36Å; V139-I148 HydrophobicContact CB-CD1 4.23Å; V139-I148 HydrophobicContact CG2-CD1 3.77Å; V139-I148 HydrophobicContact CG2-CG1 4.37Å; H146-I148 HydrophobicContact CB-CG1 4.23Å
149	M	82.1	Confident	81.7	Confident	19 Å²	19	56.8 Å²	56.8	9%	0.094	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.4	138.1	173.1	175	-178.2	-72.7	0	0	108.9	V63 R64 F87 P132 Y134	V63-M149 WeakPolarHBondContact CA-O 3.4Å; V63-M149 WeakPolarHBondContact CG1-O 3.26Å; R64-M149 HydrophobicContact CB-CB 4.49Å; R64-M149 PolarHBondContact N-O 3.07Å; R64-M149 PolarHBondContact O-N 2.7Å; F87-M149 HydrophobicContact CB-CE 3.91Å; F87-M149 HydrophobicContact CB-SD 4.24Å; F87-M149 HydrophobicContact CD2-CB 4.4Å; F87-M149 HydrophobicContact CD2-CE 3.48Å; F87-M149 VanDerWaalsContact CD2-CE 3.48Å; F87-M149 HydrophobicContact CD2-SD 4.28Å; F87-M149 HydrophobicContact CE2-CB 4.1Å; F87-M149 HydrophobicContact CE2-CE 4.18Å; F87-M149 HydrophobicContact CG-CE 3.87Å; F87-M149 HydrophobicContact CG-SD 4.21Å; F87-M149 HydrophobicContact CZ-CB 4.2Å; P132-M149 HydrophobicContact CB-CE 3.84Å; Y134-M149 HydrophobicContact CD1-CE 4.36Å
150	V	83.6	Confident	81.6	Confident	0 Å²	0	59.3 Å²	59.3	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	119.2	177.9	-176	0	0	0	0	109.5	V63 A121 L124 V126 S127 G152 K153	V63-V150 HydrophobicContact CG1-CG2 4.47Å; V63-V150 HydrophobicContact CG2-CG2 4.43Å; A121-V150 HydrophobicContact CB-CG2 4.32Å; A121-V150 WeakPolarHBondContact O-CG2 3.1Å; L124-V150 HydrophobicContact CB-CG2 4.1Å; V126-V150 HydrophobicContact CG2-CG1 4.41Å; S127-V150 PolarHBondContact N-O 2.79Å; S127-V150 PolarHBondContact OG-O 3.13Å; V150-G152 WeakPolarHBondContact CG1-O 3.37Å; V150-K153 HydrophobicContact CG1-CD 4.37Å; V150-K153 HydrophobicContact CG1-CG 3.74Å
151	E	79.7	Confident	81.6	Confident	65 Å²	65	53.1 Å²	53.1	30%	0.304	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	-20.6	177.7	-66	-167.7	153.1	0	0	112.3	K62 R64 V126	K62-E151 HydrophobicContact CD-CB 4.27Å; K62-E151 WeakPolarHBondContact CE-OE2 3.35Å; K62-E151 IonicContact NZ-OE2 2.74Å; K62-E151 PolarHBondContact NZ-OE2 2.9Å; K62-E151 PolarHBondContact O-N 3.22Å; R64-E151 IonicContact CZ-OE1 3.04Å; R64-E151 IonicContact NE-OE1 3.87Å; R64-E151 IonicContact NH1-OE1 3.17Å; R64-E151 PolarHBondContact NH1-OE1 2.91Å; R64-E151 IonicContact NH2-OE1 2.71Å; R64-E151 PolarHBondContact NH2-OE1 3.19Å; R64-E151 IonicContact NH2-OE2 3.53Å; V126-E151 WeakPolarHBondContact CG1-O 3.21Å
152	G	77.2	Confident	81.4	Confident	13 Å²	13	55.7 Å²	55.7	13%	0.134	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.3	151.8	-179.2	0	0	0	0	0	112.7	V61 K62 V150	V61-G152 CarbonylContact C-O 3.54Å; V61-G152 WeakPolarHBondContact CA-O 3.39Å; K62-G152 PolarHBondContact N-O 2.97Å; K62-G152 PolarHBondContact O-N 3.31Å; V150-G152 WeakPolarHBondContact CG1-O 3.37Å
153	K	75.4	Confident	81.4	Confident	67 Å²	67	42.5 Å²	42.5	29%	0.291	20%	0.198	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	140.1	171.6	-61.7	-175.7	-179.5	-174.5	0	108.1	A60 V61 A121 F122 L124 V126 V150	A60-K153 CarbonylContact O-C 3.56Å; A60-K153 WeakPolarHBondContact O-CA 3.12Å; V61-K153 HydrophobicContact CB-CG 4.17Å; V61-K153 HydrophobicContact CG1-CB 4.14Å; V61-K153 HydrophobicContact CG1-CD 4.02Å; V61-K153 HydrophobicContact CG1-CG 3.59Å; A121-K153 VanDerWaalsContact O-CE 3.31Å; A121-K153 WeakPolarHBondContact O-CE 3.49Å; A121-K153 PolarHBondContact O-NZ 3.3Å; A121-K153 VanDerWaalsContact O-NZ 3.13Å; F122-K153 PolarHBondContact O-NZ 3.31Å; L124-K153 WeakPolarHBondContact O-CE 3.3Å; L124-K153 PolarHBondContact O-NZ 3.3Å; V126-K153 HydrophobicContact CG2-CB 3.67Å; V126-K153 HydrophobicContact CG2-CD 3.95Å; V126-K153 HydrophobicContact CG2-CG 3.44Å; V126-K153 VanDerWaalsContact CG2-CG 3.44Å; V150-K153 HydrophobicContact CG1-CD 4.37Å; V150-K153 HydrophobicContact CG1-CG 3.74Å
154	K	72.9	Confident	81.7	Confident	140 Å²	140	34.9 Å²	34.9	61%	0.609	17%	0.166	S	C	*	.			trans	-139	0	179.6	-175.4	176	179.6	179.6	0	110.5	T59 A60 W107	T59-K154 CarbonylContact C-O 3.56Å; T59-K154 VanDerWaalsContact CA-O 3.26Å; T59-K154 WeakPolarHBondContact CA-O 3.24Å; A60-K154 PolarHBondContact N-O 3.2Å; A60-K154 PolarHBondContact O-N 3.18Å; W107-K154 HydrophobicContact CH2-CB 4.26Å; W107-K154 HydrophobicContact CZ3-CB 3.71Å

Retrieved 154 of 154 residues in 283.4 ms (Link to these results)

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