A0A087XZ15_POEFO Loading...

Ran-specific GTPase-activating protein

Plays a role in RAN-dependent nucleocytoplasmic transport. Alleviates the TNPO1-dependent inhibition of RAN GTPase activity and mediates the dissociation of RAN from proteins involved in transport into the nucleus. Induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins. Promotes the disassembly of the complex formed by RAN and importin beta. Promotes dissociation of RAN from a complex with KPNA2 and CSE1L. Required for normal mitotic spindle assembly and normal progress through mitosis via its effect on RAN. Does not increase the RAN GTPase activity by itself, but increases GTP hydrolysis mediated by RANGAP1. Inhibits RCC1-dependent exchange of RAN-bound GDP by GTP.

AlphaFold DB , UniProt , Accession A0A087XZ15, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 217 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	37.6	Very low	41.9	Very low	239 Å²	239	164.1 Å²	164.1	100%	1.177	84%	0.839	S	S	*	*				0	94.2	0	-67.8	178.6	173.6	0	0	104.7
2	A	39.3	Very low	41.7	Very low	91 Å²	91	160.2 Å²	160.2	75%	0.752	83%	0.829	S	S	*	*				64.6	120.6	92.6	0	0	0	0	0	109.3
3	D	42.5	Very low	41.8	Very low	157 Å²	157	156.4 Å²	156.4	84%	0.84	82%	0.82	S	S	*	*			cis	-159	152	39.9	-101.1	-64	0	0	0	112.3
4	T	47.7	Very low	42.5	Very low	124 Å²	124	150.9 Å²	150.9	76%	0.761	82%	0.82	S	S	*	*			trans	-64.8	146.2	167.4	2.7	0	0	0	0	112.7
5	K	47.3	Very low	42.8	Very low	211 Å²	211	150.9 Å²	150.9	92%	0.917	82%	0.819	S	S	*	*			trans	-153.8	132	147.2	-132.8	176.5	-176.5	-176.8	0	112.9
6	D	42.1	Very low	43.4	Very low	139 Å²	139	145.4 Å²	145.4	74%	0.743	81%	0.809	S	S	*	*			trans	-66.2	163.2	-172.8	-70.4	-70.2	0	0	0	116.7
7	Q	44.9	Very low	43.8	Very low	166 Å²	166	141.8 Å²	141.8	78%	0.776	80%	0.802	S	S	*	*			trans	-9.9	143	156.4	-71.7	168.8	-29.8	0	0	118.6
8	E	39.2	Very low	44.7	Very low	194 Å²	194	143 Å²	143	91%	0.907	80%	0.8	S	S	*	*				-157.7	112.6	123.6	-107.3	167.1	-161.5	0	0	109.4	H10	E8-H10 PolarHBondContact O-N 3.47Å
9	D	41.2	Very low	45.5	Very low	147 Å²	147	142.8 Å²	142.8	79%	0.786	80%	0.797	S	S	*	*			trans	-60.4	117.1	167.3	-80.5	-55.4	0	0	0	108.9	E11	D9-E11 VanDerWaalsContact C-N 3.3Å; D9-E11 PolarHBondContact O-N 2.75Å
10	H	39.6	Very low	46.4	Very low	162 Å²	162	141.6 Å²	141.6	75%	0.75	79%	0.793	S	S	*	*			trans	-80.7	82.1	173.7	-168.4	-64.1	0	0	0	109.1	E8 T12	E8-H10 PolarHBondContact O-N 3.47Å; H10-T12 PolarHBondContact O-N 2.9Å
11	E	39.9	Very low	47.8	Very low	175 Å²	175	141 Å²	141	82%	0.818	79%	0.788	S	S	*	*			trans	-55.5	108.1	160.8	-72.7	-174.1	139.6	0	0	108.3	D9 P13	D9-E11 VanDerWaalsContact C-N 3.3Å; D9-E11 PolarHBondContact O-N 2.75Å; E11-P13 VanDerWaalsContact O-CD 3.27Å; E11-P13 WeakPolarHBondContact O-CD 3.33Å
12	T	39.4	Very low	50.2	Low	117 Å²	117	137.3 Å²	137.3	72%	0.718	77%	0.768	S	S	*	*			trans	-63.3	114.7	166	42.7	0	0	0	0	107.8	H10 G14	H10-T12 PolarHBondContact O-N 2.9Å; T12-G14 PolarHBondContact O-N 3.38Å
13	P	42.7	Very low	52.5	Low	111 Å²	111	140 Å²	140	72%	0.721	77%	0.77	S	S	*	*			trans	-65.3	130.6	173.3	-6.5	22.2	0	0	0	106.9	E11 D15	E11-P13 VanDerWaalsContact O-CD 3.27Å; E11-P13 WeakPolarHBondContact O-CD 3.33Å; P13-D15 PolarHBondContact O-N 3.24Å
14	G	51.9	Low	54.8	Low	79 Å²	79	135.1 Å²	135.1	81%	0.814	75%	0.747	S	S	*	*			trans	-55.7	102.8	168.7	0	0	0	0	0	108.9	T12 G16	T12-G14 PolarHBondContact O-N 3.38Å; G14-G16 PolarHBondContact O-N 3.09Å
15	D	46.1	Very low	57	Low	152 Å²	152	136.8 Å²	136.8	81%	0.813	75%	0.746	S	S	*	*			trans	-71.4	85.1	164.6	-165.9	40.2	0	0	0	105.8	P13 A17	P13-D15 PolarHBondContact O-N 3.24Å; D15-A17 PolarHBondContact O-N 3.34Å
16	G	52.5	Low	59.3	Low	63 Å²	63	134.4 Å²	134.4	65%	0.649	74%	0.736	S	S	*	*			trans	-60.6	87.1	159.7	0	0	0	0	0	106.3	G14 E18	G14-G16 PolarHBondContact O-N 3.09Å; G16-E18 PolarHBondContact O-N 2.88Å
17	A	51.6	Low	61.7	Low	84 Å²	84	135.1 Å²	135.1	69%	0.694	73%	0.734	S	S	*	*			trans	-61.4	80.8	160.5	0	0	0	0	0	106.3	D15 D19	D15-A17 PolarHBondContact O-N 3.34Å; A17-D19 VanDerWaalsContact C-N 3.32Å; A17-D19 PolarHBondContact O-N 3.27Å
18	E	59	Low	64	Low	163 Å²	163	132 Å²	132	76%	0.762	73%	0.729	S	S	*	*			trans	-51.1	109.1	155	-75.8	-171.2	153.1	0	0	104.7	G16 T20	G16-E18 PolarHBondContact O-N 2.88Å; E18-T20 HydrophobicContact CB-CG2 4.17Å; E18-T20 PolarHBondContact O-N 3.41Å
19	D	60.3	Low	66.7	Low	140 Å²	140	131 Å²	131	75%	0.749	73%	0.728	S	S	*	*			trans	-61.1	79	165.5	-170.4	8	0	0	0	106.2	A17 N21	A17-D19 VanDerWaalsContact C-N 3.32Å; A17-D19 PolarHBondContact O-N 3.27Å; D19-N21 PolarHBondContact O-N 3.12Å
20	T	64.1	Low	69.3	Low	117 Å²	117	128.9 Å²	128.9	72%	0.718	72%	0.72	S	S	*	*			trans	-71.8	67.5	172.8	52.6	0	0	0	0	106.8	E18 H22	E18-T20 HydrophobicContact CB-CG2 4.17Å; E18-T20 PolarHBondContact O-N 3.41Å; T20-H22 PolarHBondContact O-N 3.44Å
21	N	75.9	Confident	71.8	Confident	129 Å²	129	126.8 Å²	126.8	69%	0.69	72%	0.723	S	S	*	*			trans	-64.1	109.5	174.2	-152.7	-18	0	0	0	105.9	D19 D23	D19-N21 PolarHBondContact O-N 3.12Å; N21-D23 PolarHBondContact O-N 3.35Å
22	H	86.1	Confident	74.4	Confident	162 Å²	162	125.5 Å²	125.5	75%	0.75	72%	0.721	S	S	*	*			trans	-64.7	102.5	-176.2	-180	68.7	0	0	0	109.1	T20 P24	T20-H22 PolarHBondContact O-N 3.44Å; H22-P24 WeakPolarHBondContact NE2-CG 3.4Å; H22-P24 WeakPolarHBondContact O-CD 3.39Å
23	D	88.6	Confident	77	Confident	148 Å²	148	125.1 Å²	125.1	79%	0.791	72%	0.721	S	S	*	*			trans	-116.1	87.1	177.8	-174	31.5	0	0	0	110.3	N21 H25	N21-D23 PolarHBondContact O-N 3.35Å; D23-H25 PolarHBondContact O-N 2.91Å
24	P	91.9	Very high	79.5	Confident	55 Å²	55	129 Å²	129	36%	0.357	73%	0.73	S	S	.	*			trans	-64.5	127.3	179.2	-21.1	33.5	0	0	0	111.3	H22 F26	H22-P24 WeakPolarHBondContact NE2-CG 3.4Å; H22-P24 WeakPolarHBondContact O-CD 3.39Å; P24-F26 HydrophobicContact CB-CE2 3.75Å; P24-F26 HydrophobicContact CB-CZ 3.94Å; P24-F26 WeakPolarHBondContact O-CD2 3.48Å; P24-F26 VanDerWaalsContact O-CE2 3.3Å; P24-F26 WeakPolarHBondContact O-CE2 3.4Å
25	H	93.2	Very high	81.5	Confident	159 Å²	159	132.7 Å²	132.7	74%	0.736	73%	0.726	S	S	*	*			trans	-77.4	134.4	172.9	-176	68.3	0	0	0	111.3	D23	D23-H25 PolarHBondContact O-N 2.91Å
26	F	94.3	Very high	83.7	Confident	161 Å²	161	133 Å²	133	71%	0.706	73%	0.727	S	S	*	*			trans	-124.1	131.7	174.9	-61.8	-87.6	0	0	0	110.4	P24	P24-F26 HydrophobicContact CB-CE2 3.75Å; P24-F26 HydrophobicContact CB-CZ 3.94Å; P24-F26 WeakPolarHBondContact O-CD2 3.48Å; P24-F26 VanDerWaalsContact O-CE2 3.3Å; P24-F26 WeakPolarHBondContact O-CE2 3.4Å
27	E	93.8	Very high	85.7	Confident	154 Å²	154	135.8 Å²	135.8	72%	0.72	73%	0.731	S	S	*	*			trans	-67.5	131.5	171	-74	-71.9	178.3	0	0	110.2	I29	E27-I29 PolarHBondContact O-N 3.37Å
28	P	93.1	Very high	87.6	Confident	101 Å²	101	139.5 Å²	139.5	66%	0.656	73%	0.732	S	S	*	*			trans	-62.1	126.1	178.9	-23.3	33.6	0	0	0	112.4	V30	P28-V30 VanDerWaalsContact C-N 3.31Å
29	I	95.7	Very high	89.2	Confident	172 Å²	172	135.2 Å²	135.2	88%	0.882	72%	0.717	S	S	*	*	S	Bend	trans	-69.9	-33.6	174.5	-56.3	175.4	0	0	0	110.7	E27	E27-I29 PolarHBondContact O-N 3.37Å
30	V	95.2	Very high	90.8	Very high	103 Å²	103	134.8 Å²	134.8	62%	0.624	71%	0.714	S	S	*	*			trans	-140.2	145.3	-178.2	-65.1	0	0	0	0	110.5	P28 L32	P28-V30 VanDerWaalsContact C-N 3.31Å; V30-L32 HydrophobicContact CG2-CG 4.42Å
31	S	93.4	Very high	92.3	Very high	118 Å²	118	130.3 Å²	130.3	83%	0.825	69%	0.685	S	S	*	*			trans	-101.8	114.7	169.1	-179	0	0	0	0	108.7
32	L	94.6	Very high	93.2	Very high	147 Å²	147	128.1 Å²	128.1	77%	0.77	67%	0.67	S	S	*	*	P	Polyproline II helix	trans	-95	124.8	175.5	-63.1	175.9	0	0	0	109	V30	V30-L32 HydrophobicContact CG2-CG 4.42Å
33	P	93.9	Very high	93.6	Very high	110 Å²	110	125.1 Å²	125.1	71%	0.714	66%	0.66	S	S	*	*	P	Polyproline II helix	trans	-67.4	151.4	172.5	29.7	-33.6	0	0	0	110.1	Q35	P33-Q35 PolarHBondContact O-N 3.46Å
34	E	94.4	Very high	94.1	Very high	193 Å²	193	119.2 Å²	119.2	90%	0.902	63%	0.628	S	S	*	*	P	Polyproline II helix	trans	-62.1	135.9	168	-173.2	169.7	-165.3	0	0	109.4
35	Q	94.1	Very high	94.3	Very high	156 Å²	156	122 Å²	122	73%	0.729	64%	0.636	S	S	*	*			trans	-133.9	127.3	-176.3	-178.5	174.6	-8	0	0	110.2	P33 V37	P33-Q35 PolarHBondContact O-N 3.46Å; Q35-V37 PolarHBondContact O-N 3.01Å
36	D	92.7	Very high	94.6	Very high	157 Å²	157	117.9 Å²	117.9	84%	0.84	62%	0.622	S	S	*	*			trans	-69.7	112.6	170	-68	-36.5	0	0	0	110
37	V	93.1	Very high	94.8	Very high	123 Å²	123	112.6 Å²	112.6	75%	0.745	60%	0.601	S	S	*	*			trans	-100.2	122.3	177.8	-177.1	0	0	0	0	109.5	Q35	Q35-V37 PolarHBondContact O-N 3.01Å
38	K	93.1	Very high	95	Very high	162 Å²	162	106.4 Å²	106.4	70%	0.704	57%	0.571	S	S	*	*			trans	-82.8	146	173.5	-63.6	-173.7	179.6	-176.8	0	110.9	L40	K38-L40 HydrophobicContact CB-CD2 4.31Å
39	T	92	Very high	95.3	Very high	72 Å²	72	107.6 Å²	107.6	44%	0.442	57%	0.566	S	S	.	*			trans	-81.8	-22.1	178	62.5	0	0	0	0	112.5	E41 E42 R90	T39-E41 PolarHBondContact O-N 3.41Å; T39-E41 PolarHBondContact OG1-N 3.27Å; T39-E42 PolarHBondContact N-OE1 3.5Å; T39-E42 VanDerWaalsContact OG1-CD 3.3Å; T39-E42 PolarHBondContact OG1-OE1 2.63Å; T39-R90 PolarHBondContact O-NH2 2.99Å
40	L	93.6	Very high	95.4	Very high	132 Å²	132	100.8 Å²	100.8	69%	0.691	53%	0.531	S	S	*	.	S	Bend	trans	61.3	31.8	-170.5	-51.2	177.4	0	0	0	112.1	K38 E42 R86	K38-L40 HydrophobicContact CB-CD2 4.31Å; L40-E42 WeakPolarHBondContact CA-OE2 3.33Å; L40-E42 PolarHBondContact N-OE1 2.9Å; L40-E42 PolarHBondContact N-OE2 3.14Å; L40-R86 PolarHBondContact O-NH2 3.05Å
41	E	94.9	Very high	95.5	Very high	22 Å²	22	101.3 Å²	101.3	10%	0.103	52%	0.522	C	S	.	.			trans	-121.8	2.8	176.4	-59.8	173.1	-137.3	0	0	110.8	T39 D43 E44 K75 L77 L88 R90	T39-E41 PolarHBondContact O-N 3.41Å; T39-E41 PolarHBondContact OG1-N 3.27Å; E41-D43 PolarHBondContact O-N 2.89Å; E41-E44 PolarHBondContact O-N 2.91Å; E41-K75 IonicContact OE2-NZ 3.77Å; E41-K75 PolarHBondContact OE2-NZ 3.31Å; E41-L77 HydrophobicContact CG-CD1 4.17Å; E41-L88 HydrophobicContact CG-CD2 3.69Å; E41-L88 WeakPolarHBondContact OE1-CD2 3.25Å; E41-R90 IonicContact OE1-CZ 3.94Å; E41-R90 IonicContact OE1-NE 2.83Å; E41-R90 PolarHBondContact OE1-NE 3.29Å; E41-R90 IonicContact OE1-NH2 3.93Å; E41-R90 PolarHBondContact OE1-NH2 2.85Å
42	E	95.1	Very high	95.8	Very high	83 Å²	83	96 Å²	96	39%	0.388	49%	0.485	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-30.8	-170.1	-61.8	77.4	-166.8	0	0	113.4	T39 L40 E44 K80	T39-E42 PolarHBondContact N-OE1 3.5Å; T39-E42 VanDerWaalsContact OG1-CD 3.3Å; T39-E42 PolarHBondContact OG1-OE1 2.63Å; L40-E42 WeakPolarHBondContact CA-OE2 3.33Å; L40-E42 PolarHBondContact N-OE1 2.9Å; L40-E42 PolarHBondContact N-OE2 3.14Å; E42-E44 PolarHBondContact O-N 3.43Å; E42-K80 PolarHBondContact O-NZ 2.79Å
43	D	96.1	Very high	96	Very high	100 Å²	100	91.5 Å²	91.5	54%	0.535	46%	0.459	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.4	11.6	179.1	-61.1	-42.4	0	0	0	112.9	E41 K80	E41-D43 PolarHBondContact O-N 2.89Å; D43-K80 WeakPolarHBondContact O-CB 2.99Å; D43-K80 WeakPolarHBondContact O-CD 3.34Å; D43-K80 VanDerWaalsContact O-CG 3.24Å; D43-K80 WeakPolarHBondContact O-CG 2.83Å; D43-K80 PolarHBondContact O-N 3.39Å
44	E	97.4	Very high	96.2	Very high	24 Å²	24	86.3 Å²	86.3	11%	0.112	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	147.3	-176.2	-58.6	179.8	126.9	0	0	112.3	E41 E42 L77 K78 R86	E41-E44 PolarHBondContact O-N 2.91Å; E42-E44 PolarHBondContact O-N 3.43Å; E44-L77 HydrophobicContact CB-CB 4.1Å; E44-L77 VanDerWaalsContact OE2-CD1 3.3Å; E44-L77 WeakPolarHBondContact OE2-CD1 3.11Å; E44-K78 CarbonylContact C-O 3.5Å; E44-K78 VanDerWaalsContact CA-O 3.24Å; E44-K78 WeakPolarHBondContact CA-O 3.31Å; E44-R86 VanDerWaalsContact CD-NH2 3.32Å; E44-R86 IonicContact OE1-CZ 2.74Å; E44-R86 IonicContact OE1-NE 3.77Å; E44-R86 PolarHBondContact OE1-NE 2.87Å; E44-R86 IonicContact OE1-NH2 3.07Å; E44-R86 PolarHBondContact OE1-NH2 2.97Å; E44-R86 IonicContact OE2-CZ 3.19Å; E44-R86 IonicContact OE2-NE 3.73Å; E44-R86 PolarHBondContact OE2-NE 3.25Å; E44-R86 IonicContact OE2-NH2 2.61Å; E44-R86 PolarHBondContact OE2-NH2 2.84Å
45	E	97.7	Very high	96.4	Very high	112 Å²	112	79.3 Å²	79.3	52%	0.523	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99	134.3	172.1	-175.5	-179	-176.2	0	0	109.9	L47 L77 K78	E45-L47 HydrophobicContact CG-CD2 4.3Å; E45-L47 PolarHBondContact O-N 2.8Å; E45-L77 CarbonylContact O-C 3.6Å; E45-L77 WeakPolarHBondContact O-CA 3.42Å; E45-K78 PolarHBondContact N-O 3.41Å; E45-K78 PolarHBondContact O-N 3.41Å
46	V	98.3	Very high	96.6	Very high	74 Å²	74	74.3 Å²	74.3	45%	0.448	37%	0.365	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	100.7	176.4	-173.6	0	0	0	0	109.5	F48 K49 L77	V46-F48 WeakPolarHBondContact CG1-O 3.44Å; V46-K49 HydrophobicContact CG1-CB 4.01Å; V46-L77 HydrophobicContact CB-CD2 4.19Å; V46-L77 HydrophobicContact CG1-CD2 4.38Å; V46-L77 HydrophobicContact CG2-CD2 3.67Å
47	L	98.1	Very high	96.8	Very high	50 Å²	50	69.6 Å²	69.6	26%	0.262	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.8	-27.7	176.6	-58.5	-174.6	0	0	0	112.5	E45 L76 K78 I85	E45-L47 HydrophobicContact CG-CD2 4.3Å; E45-L47 PolarHBondContact O-N 2.8Å; L47-L76 HydrophobicContact CB-CB 4.43Å; L47-L76 PolarHBondContact N-O 2.97Å; L47-K78 HydrophobicContact CD1-CB 3.76Å; L47-K78 HydrophobicContact CD1-CD 4.32Å; L47-K78 HydrophobicContact CD2-CB 4.23Å; L47-K78 HydrophobicContact CG-CB 3.94Å; L47-I85 HydrophobicContact CD1-CD1 3.92Å; L47-I85 HydrophobicContact CD1-CG2 4.35Å
48	F	98.6	Very high	97	Very high	24 Å²	24	63.8 Å²	63.8	11%	0.105	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-154.8	143.1	-178.8	-179.8	-92.8	0	0	0	110.4	V46 M50 V74 K75 L76 F150 K153	V46-F48 WeakPolarHBondContact CG1-O 3.44Å; F48-M50 HydrophobicContact CE1-CB 3.62Å; F48-M50 HydrophobicContact CE1-CE 4.11Å; F48-M50 HydrophobicContact CE2-CE 3.77Å; F48-M50 HydrophobicContact CZ-CB 3.73Å; F48-M50 HydrophobicContact CZ-CE 3.17Å; F48-V74 HydrophobicContact CE1-CG1 4.23Å; F48-K75 WeakPolarHBondContact O-CA 3.4Å; F48-L76 HydrophobicContact CB-CB 4.01Å; F48-L76 HydrophobicContact CB-CD1 4.17Å; F48-L76 HydrophobicContact CB-CG 4.01Å; F48-L76 HydrophobicContact CD1-CG 4.41Å; F48-L76 PolarHBondContact N-O 3.37Å; F48-L76 PolarHBondContact O-N 3.26Å; F48-F150 HydrophobicContact CD1-CD2 4.1Å; F48-F150 HydrophobicContact CE1-CB 4.27Å; F48-F150 AromaticContact CE1-CD2 3.49Å; F48-F150 HydrophobicContact CE1-CD2 3.49Å; F48-F150 VanDerWaalsContact CE1-CD2 3.49Å; F48-F150 HydrophobicContact CE1-CE2 4.33Å; F48-F150 HydrophobicContact CE1-CG 4.35Å; F48-F150 HydrophobicContact CZ-CB 3.72Å; F48-F150 AromaticContact CZ-CD2 3.8Å; F48-F150 HydrophobicContact CZ-CD2 3.8Å; F48-F150 HydrophobicContact CZ-CG 4.26Å; F48-K153 HydrophobicContact CB-CB 4.42Å; F48-K153 HydrophobicContact CD2-CB 3.84Å; F48-K153 HydrophobicContact CD2-CG 3.74Å; F48-K153 HydrophobicContact CE2-CB 4.31Å; F48-K153 HydrophobicContact CE2-CG 4.24Å; F48-K153 HydrophobicContact CG-CB 4.32Å
49	K	98.4	Very high	97	Very high	126 Å²	126	60 Å²	60	55%	0.548	30%	0.297	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.2	125.9	172.2	-179.2	-177.8	176.2	-173.9	0	109.5	V46 D73 V74 K75	V46-K49 HydrophobicContact CG1-CB 4.01Å; K49-D73 WeakPolarHBondContact CE-OD2 3.48Å; K49-D73 HydrophobicContact CG-CB 4.32Å; K49-D73 IonicContact NZ-OD2 3.27Å; K49-D73 PolarHBondContact NZ-OD2 2.98Å; K49-V74 WeakPolarHBondContact CA-O 3.32Å; K49-K75 HydrophobicContact CG-CG 4.29Å
50	M	98.3	Very high	97.2	Very high	28 Å²	28	63.2 Å²	63.2	14%	0.138	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.4	148.3	173.6	-177.9	148.5	41.2	0	0	112.7	F48 D73 V74 F141 N146 K149	F48-M50 HydrophobicContact CE1-CB 3.62Å; F48-M50 HydrophobicContact CE1-CE 4.11Å; F48-M50 HydrophobicContact CE2-CE 3.77Å; F48-M50 HydrophobicContact CZ-CB 3.73Å; F48-M50 HydrophobicContact CZ-CE 3.17Å; M50-D73 WeakPolarHBondContact O-CA 3.33Å; M50-V74 PolarHBondContact N-O 3.47Å; M50-V74 VanDerWaalsContact O-CG1 3.27Å; M50-V74 WeakPolarHBondContact O-CG1 3.42Å; M50-V74 PolarHBondContact O-N 2.8Å; M50-F141 HydrophobicContact CB-CE1 4.49Å; M50-F141 HydrophobicContact CE-CD1 4.17Å; M50-F141 HydrophobicContact CE-CE1 4.23Å; M50-F141 HydrophobicContact CG-CD1 4.13Å; M50-F141 HydrophobicContact CG-CE1 4.31Å; M50-F141 HydrophobicContact SD-CD1 4.39Å; M50-N146 HydrophobicContact CE-CB 3.76Å; M50-N146 WeakPolarHBondContact CE-O 3.41Å; M50-N146 HydrophobicContact SD-CB 3.45Å; M50-N146 WeakPolarHBondContact SD-CB 3.44Å; M50-K149 HydrophobicContact CE-CB 4.31Å
51	R	98.5	Very high	97.2	Very high	115 Å²	115	58.9 Å²	58.9	43%	0.434	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.2	129.5	171.4	-178.9	61.9	167.8	-168.9	0.4	111.9	D92	R51-D92 IonicContact CZ-OD1 3.61Å; R51-D92 IonicContact CZ-OD2 3.82Å; R51-D92 IonicContact NH1-OD1 2.83Å; R51-D92 PolarHBondContact NH1-OD1 3.31Å; R51-D92 IonicContact NH1-OD2 2.73Å; R51-D92 PolarHBondContact NH1-OD2 3.5Å; R51-D92 IonicContact NH2-OD2 2.74Å; R51-D92 PolarHBondContact NH2-OD2 3.22Å
52	A	98.5	Very high	97.2	Very high	6 Å²	6	65.6 Å²	65.6	5%	0.05	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.9	169.8	177.4	0	0	0	0	0	112.8	G72 V74 M89 I139 F141	A52-G72 PolarHBondContact N-O 3.22Å; A52-G72 PolarHBondContact O-N 2.97Å; A52-G72 VanDerWaalsContact O-N 3.07Å; A52-G72 VanDerWaalsContact O-O 3.06Å; A52-V74 HydrophobicContact CB-CG1 4.03Å; A52-M89 HydrophobicContact CB-CE 4.27Å; A52-M89 WeakPolarHBondContact O-CE 3.5Å; A52-I139 HydrophobicContact CB-CD1 3.64Å; A52-I139 HydrophobicContact CB-CG1 3.62Å; A52-F141 HydrophobicContact CB-CD1 3.91Å; A52-F141 HydrophobicContact CB-CE1 3.69Å; A52-F141 HydrophobicContact CB-CZ 4.3Å
53	K	98.6	Very high	97.2	Very high	53 Å²	53	66.2 Å²	66.2	23%	0.23	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.7	128	167	-177.9	176	-72.6	-140.9	0	109.4	Y55 E68 T71 I139 R140	K53-Y55 HydrophobicContact CB-CE2 4.26Å; K53-Y55 HydrophobicContact CD-CE1 4.25Å; K53-Y55 HydrophobicContact CD-CE2 3.79Å; K53-Y55 VanDerWaalsContact CD-CZ 3.45Å; K53-Y55 WeakPolarHBondContact CD-OH 3.09Å; K53-Y55 HydrophobicContact CG-CD2 4.39Å; K53-Y55 HydrophobicContact CG-CE2 3.67Å; K53-E68 HydrophobicContact CD-CG 4.41Å; K53-E68 HydrophobicContact CG-CG 4.37Å; K53-E68 IonicContact NZ-OE1 3.19Å; K53-E68 IonicContact NZ-OE2 3.8Å; K53-E68 PolarHBondContact NZ-OE2 3.37Å; K53-T71 VanDerWaalsContact CE-OG1 3.22Å; K53-T71 WeakPolarHBondContact CE-OG1 3.37Å; K53-I139 CarbonylContact O-C 3.54Å; K53-I139 WeakPolarHBondContact O-CA 3.26Å; K53-R140 PolarHBondContact N-O 3.1Å; K53-R140 PolarHBondContact O-N 2.71Å
54	L	98.6	Very high	97.2	Very high	0 Å²	0	64.8 Å²	64.8	0%	0	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	139.5	-178.6	-172.4	75	0	0	0	110.5	R69 G70 M89 C98 A99 W121 L137 A138 I139	L54-R69 HydrophobicContact CD2-CB 4.21Å; L54-R69 HydrophobicContact CD2-CG 4.17Å; L54-R69 HydrophobicContact CG-CB 4.3Å; L54-R69 PolarHBondContact O-N 3.06Å; L54-G70 PolarHBondContact N-O 3.39Å; L54-G70 PolarHBondContact O-N 3.41Å; L54-M89 HydrophobicContact CB-CE 4.17Å; L54-M89 HydrophobicContact CB-SD 3.69Å; L54-M89 HydrophobicContact CD2-SD 4.25Å; L54-M89 HydrophobicContact CG-SD 4.44Å; L54-C98 WeakPolarHBondContact CD2-O 3.45Å; L54-A99 HydrophobicContact CD2-CB 3.63Å; L54-W121 HydrophobicContact CD1-CH2 3.79Å; L54-W121 HydrophobicContact CD1-CZ2 4.4Å; L54-L137 HydrophobicContact CD1-CB 4.28Å; L54-A138 CarbonylContact C-O 3.51Å; L54-A138 WeakPolarHBondContact CA-O 3.35Å; L54-I139 HydrophobicContact CD1-CB 4.2Å; L54-I139 HydrophobicContact CD1-CG1 4.47Å
55	Y	98.3	Very high	97.2	Very high	46 Å²	46	68.1 Å²	68.1	18%	0.18	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	150.8	176.6	-60.1	-96	0	0	0	109.8	K53 K67 E68 L137 A138 R140	K53-Y55 HydrophobicContact CB-CE2 4.26Å; K53-Y55 HydrophobicContact CD-CE1 4.25Å; K53-Y55 HydrophobicContact CD-CE2 3.79Å; K53-Y55 VanDerWaalsContact CD-CZ 3.45Å; K53-Y55 WeakPolarHBondContact CD-OH 3.09Å; K53-Y55 HydrophobicContact CG-CD2 4.39Å; K53-Y55 HydrophobicContact CG-CE2 3.67Å; Y55-K67 CarbonylContact C-O 3.51Å; Y55-K67 WeakPolarHBondContact CA-O 3.24Å; Y55-E68 HydrophobicContact CD1-CB 4.31Å; Y55-E68 HydrophobicContact CE1-CB 4.27Å; Y55-L137 WeakPolarHBondContact O-CA 3.43Å; Y55-A138 PolarHBondContact N-O 2.96Å; Y55-A138 PolarHBondContact O-N 3.44Å; Y55-R140 HydrophobicContact CE2-CB 4.18Å; Y55-R140 PolarHBondContact OH-NH2 2.99Å
56	R	97.8	Very high	97.1	Very high	51 Å²	51	67.1 Å²	67.1	19%	0.192	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.7	139.1	169.8	172.4	-166.2	-72.2	150.5	-30.3	108.3	A58 K67 R69 D129 E135 L137	R56-A58 PolarHBondContact O-N 3.29Å; R56-K67 PolarHBondContact N-O 2.93Å; R56-K67 PolarHBondContact O-N 3.46Å; R56-R69 HydrophobicContact CB-CB 4.36Å; R56-D129 IonicContact NH2-OD2 3.34Å; R56-D129 PolarHBondContact NH2-OD2 3.17Å; R56-E135 WeakPolarHBondContact CD-OE2 3.22Å; R56-E135 WeakPolarHBondContact CG-OE2 3.3Å; R56-E135 IonicContact CZ-OE1 3.39Å; R56-E135 IonicContact CZ-OE2 2.67Å; R56-E135 IonicContact NE-OE1 3.37Å; R56-E135 PolarHBondContact NE-OE1 3.26Å; R56-E135 IonicContact NE-OE2 2.84Å; R56-E135 PolarHBondContact NE-OE2 2.84Å; R56-E135 IonicContact NH2-OE1 3.19Å; R56-E135 PolarHBondContact NH2-OE1 3.01Å; R56-L137 HydrophobicContact CB-CD2 4.38Å
57	F	97.6	Very high	97.1	Very high	59 Å²	59	67.9 Å²	67.9	26%	0.259	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	114.8	168	-167.7	-112.3	0	0	0	110.1	S59 P64 W66 L136	F57-S59 PolarHBondContact O-N 3.27Å; F57-P64 HydrophobicContact CE1-CB 3.84Å; F57-P64 HydrophobicContact CE2-CB 4.08Å; F57-P64 HydrophobicContact CZ-CB 3.36Å; F57-W66 HydrophobicContact CB-CD2 4.34Å; F57-W66 HydrophobicContact CB-CE3 3.93Å; F57-W66 HydrophobicContact CB-CH2 3.87Å; F57-W66 HydrophobicContact CB-CZ2 4.28Å; F57-W66 HydrophobicContact CB-CZ3 3.68Å; F57-W66 AromaticContact CD2-CD2 3.91Å; F57-W66 HydrophobicContact CD2-CD2 3.91Å; F57-W66 AromaticContact CD2-CE2 3.72Å; F57-W66 HydrophobicContact CD2-CE3 4.36Å; F57-W66 HydrophobicContact CD2-CG 4.27Å; F57-W66 HydrophobicContact CD2-CH2 4.47Å; F57-W66 HydrophobicContact CD2-CZ2 4.04Å; F57-W66 AromaticContact CD2-NE1 3.95Å; F57-W66 HydrophobicContact CG-CZ2 4.47Å; F57-L136 HydrophobicContact CB-CB 3.97Å; F57-L136 HydrophobicContact CB-CD2 3.86Å; F57-L136 HydrophobicContact CB-CG 4.1Å; F57-L136 HydrophobicContact CD1-CD2 3.94Å; F57-L136 HydrophobicContact CG-CD2 3.98Å; F57-L136 PolarHBondContact N-O 2.86Å
58	A	96.7	Very high	97.1	Very high	1 Å²	1	70.5 Å²	70.5	1%	0.008	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91	83.9	177.5	0	0	0	0	0	109.2	R56 E60 N61 E65 K67	R56-A58 PolarHBondContact O-N 3.29Å; A58-E60 VanDerWaalsContact C-OE2 3.26Å; A58-E60 VanDerWaalsContact CA-OE2 3.27Å; A58-E60 WeakPolarHBondContact CA-OE2 3.45Å; A58-E60 PolarHBondContact O-N 2.85Å; A58-N61 VanDerWaalsContact CB-ND2 3.26Å; A58-N61 WeakPolarHBondContact CB-ND2 3.19Å; A58-N61 PolarHBondContact O-N 2.9Å; A58-E65 PolarHBondContact N-O 3.49Å; A58-E65 PolarHBondContact O-N 2.99Å; A58-K67 HydrophobicContact CB-CD 3.97Å; A58-K67 HydrophobicContact CB-CG 4.23Å
59	S	95	Very high	97	Very high	83 Å²	83	70 Å²	70	58%	0.58	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-17	178.4	53.3	0	0	0	0	113.5	F57 N61	F57-S59 PolarHBondContact O-N 3.27Å; S59-N61 VanDerWaalsContact C-N 3.29Å
60	E	94.7	Very high	97	Very high	138 Å²	138	64.2 Å²	64.2	65%	0.645	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-13.7	177.4	68.2	-84.4	-164.6	0	0	113.9	A58	A58-E60 VanDerWaalsContact C-OE2 3.26Å; A58-E60 VanDerWaalsContact CA-OE2 3.27Å; A58-E60 WeakPolarHBondContact CA-OE2 3.45Å; A58-E60 PolarHBondContact O-N 2.85Å
61	N	95.1	Very high	97.1	Very high	41 Å²	41	64.3 Å²	64.3	22%	0.219	32%	0.319	C	S	.	.	S	Bend	trans	-86.1	156.7	174.9	-53	-28	0	0	0	110.9	A58 S59 P63 P64 E65 K67	A58-N61 VanDerWaalsContact CB-ND2 3.26Å; A58-N61 WeakPolarHBondContact CB-ND2 3.19Å; A58-N61 PolarHBondContact O-N 2.9Å; S59-N61 VanDerWaalsContact C-N 3.29Å; N61-P63 CarbonylContact C-O 3.58Å; N61-P63 CarbonylContact O-C 3.17Å; N61-P64 WeakPolarHBondContact O-CD 3.42Å; N61-P64 VanDerWaalsContact O-N 3.13Å; N61-E65 HydrophobicContact CB-CG 4.4Å; N61-E65 VanDerWaalsContact ND2-CG 3.34Å; N61-E65 WeakPolarHBondContact ND2-CG 3.37Å; N61-E65 PolarHBondContact ND2-OE1 3.36Å; N61-K67 WeakPolarHBondContact ND2-CE 3.4Å; N61-K67 PolarHBondContact ND2-NZ 3.02Å; N61-K67 PolarHBondContact OD1-NZ 3.23Å
62	D	93.6	Very high	97.1	Very high	163 Å²	163	58.9 Å²	58.9	87%	0.872	30%	0.298	S	S	*	.	S	Bend	trans	-121	105	173.2	-171.2	17.4	0	0	0	110.2
63	P	94.9	Very high	97.1	Very high	97 Å²	97	61.3 Å²	61.3	63%	0.63	31%	0.31	S	S	*	.	S	Bend	cis	-77.9	159.7	1.8	32.7	-35.8	0	0	0	113.5	N61 E65	N61-P63 CarbonylContact C-O 3.58Å; N61-P63 CarbonylContact O-C 3.17Å; P63-E65 PolarHBondContact O-N 3.33Å
64	P	96.5	Very high	97.1	Very high	70 Å²	70	58.8 Å²	58.8	46%	0.455	30%	0.299	S	S	.	.			trans	-58.1	135.9	172.1	-28.3	37	0	0	0	112.5	F57 N61	F57-P64 HydrophobicContact CE1-CB 3.84Å; F57-P64 HydrophobicContact CE2-CB 4.08Å; F57-P64 HydrophobicContact CZ-CB 3.36Å; N61-P64 WeakPolarHBondContact O-CD 3.42Å; N61-P64 VanDerWaalsContact O-N 3.13Å
65	E	96.6	Very high	97.1	Very high	93 Å²	93	61.1 Å²	61.1	44%	0.435	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.2	158.7	-173.9	62.4	171.8	-178.8	0	0	113.9	A58 N61 P63 K67	A58-E65 PolarHBondContact N-O 3.49Å; A58-E65 PolarHBondContact O-N 2.99Å; N61-E65 HydrophobicContact CB-CG 4.4Å; N61-E65 VanDerWaalsContact ND2-CG 3.34Å; N61-E65 WeakPolarHBondContact ND2-CG 3.37Å; N61-E65 PolarHBondContact ND2-OE1 3.36Å; P63-E65 PolarHBondContact O-N 3.33Å; E65-K67 HydrophobicContact CG-CG 4.44Å; E65-K67 WeakPolarHBondContact OE1-CE 3.24Å; E65-K67 IonicContact OE1-NZ 3.7Å
66	W	97.1	Very high	97.1	Very high	91 Å²	91	58.9 Å²	58.9	35%	0.345	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	119.1	172.6	-71.7	103	0	0	0	110.8	F57 V120 L136 A138	F57-W66 HydrophobicContact CB-CD2 4.34Å; F57-W66 HydrophobicContact CB-CE3 3.93Å; F57-W66 HydrophobicContact CB-CH2 3.87Å; F57-W66 HydrophobicContact CB-CZ2 4.28Å; F57-W66 HydrophobicContact CB-CZ3 3.68Å; F57-W66 AromaticContact CD2-CD2 3.91Å; F57-W66 HydrophobicContact CD2-CD2 3.91Å; F57-W66 AromaticContact CD2-CE2 3.72Å; F57-W66 HydrophobicContact CD2-CE3 4.36Å; F57-W66 HydrophobicContact CD2-CG 4.27Å; F57-W66 HydrophobicContact CD2-CH2 4.47Å; F57-W66 HydrophobicContact CD2-CZ2 4.04Å; F57-W66 AromaticContact CD2-NE1 3.95Å; F57-W66 HydrophobicContact CG-CZ2 4.47Å; W66-V120 HydrophobicContact CH2-CG1 3.85Å; W66-V120 HydrophobicContact CH2-CG2 4.47Å; W66-V120 HydrophobicContact CZ2-CG1 4.24Å; W66-V120 HydrophobicContact CZ2-CG2 4.43Å; W66-L136 HydrophobicContact CH2-CD2 4.29Å; W66-L136 HydrophobicContact CH2-CG 4.04Å; W66-A138 HydrophobicContact CE3-CB 3.95Å; W66-A138 HydrophobicContact CH2-CB 3.63Å; W66-A138 HydrophobicContact CZ2-CB 4.25Å; W66-A138 HydrophobicContact CZ3-CB 3.46Å; W66-A138 VanDerWaalsContact CZ3-CB 3.46Å
67	K	97.4	Very high	97.1	Very high	90 Å²	90	56.5 Å²	56.5	39%	0.391	29%	0.292	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.8	139.3	173.4	-71	-175.2	174.3	166.6	0	110.9	Y55 R56 A58 N61 E65 R69	Y55-K67 CarbonylContact C-O 3.51Å; Y55-K67 WeakPolarHBondContact CA-O 3.24Å; R56-K67 PolarHBondContact N-O 2.93Å; R56-K67 PolarHBondContact O-N 3.46Å; A58-K67 HydrophobicContact CB-CD 3.97Å; A58-K67 HydrophobicContact CB-CG 4.23Å; N61-K67 WeakPolarHBondContact ND2-CE 3.4Å; N61-K67 PolarHBondContact ND2-NZ 3.02Å; N61-K67 PolarHBondContact OD1-NZ 3.23Å; E65-K67 HydrophobicContact CG-CG 4.44Å; E65-K67 WeakPolarHBondContact OE1-CE 3.24Å; E65-K67 IonicContact OE1-NZ 3.7Å; K67-R69 PolarHBondContact O-N 3.05Å
68	E	97.9	Very high	97.2	Very high	106 Å²	106	55.9 Å²	55.9	50%	0.495	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-63.5	124.2	172	-177.7	170	156.3	0	0	109.5	K53 Y55 T71	K53-E68 HydrophobicContact CD-CG 4.41Å; K53-E68 HydrophobicContact CG-CG 4.37Å; K53-E68 IonicContact NZ-OE1 3.19Å; K53-E68 IonicContact NZ-OE2 3.8Å; K53-E68 PolarHBondContact NZ-OE2 3.37Å; Y55-E68 HydrophobicContact CD1-CB 4.31Å; Y55-E68 HydrophobicContact CE1-CB 4.27Å; E68-T71 PolarHBondContact OE1-OG1 2.88Å
69	R	97.8	Very high	97.2	Very high	14 Å²	14	57.1 Å²	57.1	5%	0.053	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.2	-36.9	177.4	-170.2	67.3	-177.3	-70.7	1.5	111.3	L54 R56 K67 R91 C98 D126 D129 E135	L54-R69 HydrophobicContact CD2-CB 4.21Å; L54-R69 HydrophobicContact CD2-CG 4.17Å; L54-R69 HydrophobicContact CG-CB 4.3Å; L54-R69 PolarHBondContact O-N 3.06Å; R56-R69 HydrophobicContact CB-CB 4.36Å; K67-R69 PolarHBondContact O-N 3.05Å; R69-R91 PolarHBondContact O-NE 3.21Å; R69-R91 PolarHBondContact O-NH2 3.05Å; R69-C98 HydrophobicContact CG-CB 4.27Å; R69-C98 WeakPolarHBondContact CG-O 3.29Å; R69-D126 IonicContact NH1-OD1 2.67Å; R69-D129 IonicContact CZ-OD1 2.76Å; R69-D129 IonicContact NH2-OD1 2.9Å; R69-D129 PolarHBondContact NH2-OD1 3.15Å; R69-D129 IonicContact NH2-OD2 2.82Å; R69-D129 PolarHBondContact NH2-OD2 2.88Å; R69-E135 IonicContact NH1-OE1 2.94Å
70	G	98.3	Very high	97.3	Very high	3 Å²	3	59.6 Å²	59.6	3%	0.031	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	179.6	156.6	176.7	0	0	0	0	0	114.2	L54	L54-G70 PolarHBondContact N-O 3.39Å; L54-G70 PolarHBondContact O-N 3.41Å
71	T	98.7	Very high	97.2	Very high	31 Å²	31	61.1 Å²	61.1	19%	0.19	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	130.9	172	-60.2	0	0	0	0	108.7	K53 E68 R91 D92	K53-T71 VanDerWaalsContact CE-OG1 3.22Å; K53-T71 WeakPolarHBondContact CE-OG1 3.37Å; E68-T71 PolarHBondContact OE1-OG1 2.88Å; T71-R91 WeakPolarHBondContact O-CA 3.42Å; T71-D92 PolarHBondContact O-N 3.19Å
72	G	98.6	Very high	97.1	Very high	0 Å²	0	66 Å²	66	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	171.4	-167.7	-171	0	0	0	0	0	113.9	A52 M89 R90	A52-G72 PolarHBondContact N-O 3.22Å; A52-G72 PolarHBondContact O-N 2.97Å; A52-G72 VanDerWaalsContact O-N 3.07Å; A52-G72 VanDerWaalsContact O-O 3.06Å; G72-M89 WeakPolarHBondContact O-CE 3.49Å; G72-R90 WeakPolarHBondContact CA-O 3.49Å
73	D	98.6	Very high	97.1	Very high	57 Å²	57	58.7 Å²	58.7	31%	0.305	28%	0.284	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.6	173.2	-71	-21.9	0	0	0	110.3	K49 M50 M89	K49-D73 WeakPolarHBondContact CE-OD2 3.48Å; K49-D73 HydrophobicContact CG-CB 4.32Å; K49-D73 IonicContact NZ-OD2 3.27Å; K49-D73 PolarHBondContact NZ-OD2 2.98Å; M50-D73 WeakPolarHBondContact O-CA 3.33Å; D73-M89 WeakPolarHBondContact O-CG 3.41Å
74	V	98.7	Very high	97.2	Very high	0 Å²	0	56.8 Å²	56.8	0%	0	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135	166.3	61.6	0	0	0	0	109	F48 K49 M50 A52 L87 M89 I139 F141 F150	F48-V74 HydrophobicContact CE1-CG1 4.23Å; K49-V74 WeakPolarHBondContact CA-O 3.32Å; M50-V74 PolarHBondContact N-O 3.47Å; M50-V74 VanDerWaalsContact O-CG1 3.27Å; M50-V74 WeakPolarHBondContact O-CG1 3.42Å; M50-V74 PolarHBondContact O-N 2.8Å; A52-V74 HydrophobicContact CB-CG1 4.03Å; V74-L87 HydrophobicContact CG2-CD1 4.05Å; V74-L87 HydrophobicContact CG2-CD2 3.93Å; V74-L87 HydrophobicContact CG2-CG 3.81Å; V74-M89 HydrophobicContact CB-CB 4.43Å; V74-M89 HydrophobicContact CB-CG 4.21Å; V74-M89 HydrophobicContact CB-SD 4.22Å; V74-I139 HydrophobicContact CB-CD1 4Å; V74-I139 HydrophobicContact CG1-CD1 3.81Å; V74-I139 HydrophobicContact CG2-CD1 4.1Å; V74-F141 HydrophobicContact CG1-CE1 4.03Å; V74-F141 HydrophobicContact CG1-CZ 4.32Å; V74-F150 HydrophobicContact CG1-CE2 4.49Å; V74-F150 HydrophobicContact CG2-CE2 4.33Å
75	K	98.7	Very high	97.2	Very high	49 Å²	49	53.5 Å²	53.5	21%	0.213	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	142.7	175.1	-57.8	-176.2	-166.7	170.7	0	110.7	E41 F48 K49 L77 L87 L88	E41-K75 IonicContact OE2-NZ 3.77Å; E41-K75 PolarHBondContact OE2-NZ 3.31Å; F48-K75 WeakPolarHBondContact O-CA 3.4Å; K49-K75 HydrophobicContact CG-CG 4.29Å; K75-L77 HydrophobicContact CB-CD2 3.9Å; K75-L77 HydrophobicContact CB-CG 3.98Å; K75-L77 HydrophobicContact CD-CD2 3.98Å; K75-L87 WeakPolarHBondContact O-CA 3.44Å; K75-L88 PolarHBondContact N-O 3.31Å; K75-L88 PolarHBondContact O-N 2.82Å
76	L	98.6	Very high	97.3	Very high	0 Å²	0	50.8 Å²	50.8	0%	0	24%	0.235	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	120.2	160.2	-56.9	-174.4	0	0	0	107.4	L47 F48 R86 L87 I103 F150 K153 F154	L47-L76 HydrophobicContact CB-CB 4.43Å; L47-L76 PolarHBondContact N-O 2.97Å; F48-L76 HydrophobicContact CB-CB 4.01Å; F48-L76 HydrophobicContact CB-CD1 4.17Å; F48-L76 HydrophobicContact CB-CG 4.01Å; F48-L76 HydrophobicContact CD1-CG 4.41Å; F48-L76 PolarHBondContact N-O 3.37Å; F48-L76 PolarHBondContact O-N 3.26Å; L76-R86 WeakPolarHBondContact CA-O 3.15Å; L76-L87 HydrophobicContact CD2-CB 4.02Å; L76-L87 HydrophobicContact CD2-CD1 4.12Å; L76-L87 HydrophobicContact CD2-CG 4.05Å; L76-I103 HydrophobicContact CD1-CD1 4.39Å; L76-I103 HydrophobicContact CD2-CD1 3.97Å; L76-F150 HydrophobicContact CD2-CE2 4.27Å; L76-K153 HydrophobicContact CD1-CB 4.46Å; L76-F154 HydrophobicContact CD1-CB 4.45Å; L76-F154 HydrophobicContact CD2-CD2 4.45Å
77	L	98.5	Very high	97.4	Very high	1 Å²	1	46.5 Å²	46.5	1%	0.005	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	127.1	-171.2	-62	-179.4	0	0	0	109.6	E41 E44 E45 V46 K75 I85 R86 L88	E41-L77 HydrophobicContact CG-CD1 4.17Å; E44-L77 HydrophobicContact CB-CB 4.1Å; E44-L77 VanDerWaalsContact OE2-CD1 3.3Å; E44-L77 WeakPolarHBondContact OE2-CD1 3.11Å; E45-L77 CarbonylContact O-C 3.6Å; E45-L77 WeakPolarHBondContact O-CA 3.42Å; V46-L77 HydrophobicContact CB-CD2 4.19Å; V46-L77 HydrophobicContact CG1-CD2 4.38Å; V46-L77 HydrophobicContact CG2-CD2 3.67Å; K75-L77 HydrophobicContact CB-CD2 3.9Å; K75-L77 HydrophobicContact CB-CG 3.98Å; K75-L77 HydrophobicContact CD-CD2 3.98Å; L77-I85 CarbonylContact O-C 3.53Å; L77-I85 VanDerWaalsContact O-CA 3.25Å; L77-I85 WeakPolarHBondContact O-CA 3.45Å; L77-I85 WeakPolarHBondContact O-CG2 2.83Å; L77-R86 HydrophobicContact CB-CG 4.1Å; L77-R86 PolarHBondContact N-O 2.86Å; L77-R86 PolarHBondContact O-N 2.88Å; L77-L88 HydrophobicContact CD1-CB 3.83Å; L77-L88 HydrophobicContact CD1-CD2 3.64Å; L77-L88 HydrophobicContact CD1-CG 4.4Å
78	K	98.2	Very high	97.4	Very high	45 Å²	45	42.3 Å²	42.3	20%	0.196	20%	0.201	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	124.9	175.8	178.3	177.5	174.1	-174.4	0	110.2	E44 E45 L47 K80 T84 I85 E160	E44-K78 CarbonylContact C-O 3.5Å; E44-K78 VanDerWaalsContact CA-O 3.24Å; E44-K78 WeakPolarHBondContact CA-O 3.31Å; E45-K78 PolarHBondContact N-O 3.41Å; E45-K78 PolarHBondContact O-N 3.41Å; L47-K78 HydrophobicContact CD1-CB 3.76Å; L47-K78 HydrophobicContact CD1-CD 4.32Å; L47-K78 HydrophobicContact CD2-CB 4.23Å; L47-K78 HydrophobicContact CG-CB 3.94Å; K78-K80 PolarHBondContact O-N 2.86Å; K78-T84 WeakPolarHBondContact CA-O 3.27Å; K78-I85 HydrophobicContact CB-CG1 4.03Å; K78-I85 HydrophobicContact CD-CD1 4.47Å; K78-I85 HydrophobicContact CD-CG1 4.44Å; K78-I85 HydrophobicContact CG-CG1 4.01Å; K78-E160 IonicContact NZ-OE1 2.63Å; K78-E160 PolarHBondContact NZ-OE1 3.41Å
79	H	97.8	Very high	97.5	Very high	27 Å²	27	37.3 Å²	37.3	13%	0.125	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.7	127.4	175.1	-167.7	-62.7	0	0	0	110.5	E81 K82 G83 T84	H79-E81 PolarHBondContact ND1-N 2.91Å; H79-E81 VanDerWaalsContact ND1-N 3.19Å; H79-E81 PolarHBondContact O-N 3.43Å; H79-K82 HydrophobicContact CB-CB 4.2Å; H79-K82 PolarHBondContact ND1-N 3.01Å; H79-K82 VanDerWaalsContact ND1-N 3.19Å; H79-G83 WeakPolarHBondContact O-CA 3.24Å; H79-G83 PolarHBondContact O-N 3.19Å; H79-T84 WeakPolarHBondContact CB-OG1 3.49Å; H79-T84 PolarHBondContact N-O 3.02Å
80	K	96	Very high	97.5	Very high	135 Å²	135	40 Å²	40	59%	0.587	19%	0.188	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-44.9	-173.9	-69.5	165.3	-173.5	163.4	0	112.7	E42 D43 K78	E42-K80 PolarHBondContact O-NZ 2.79Å; D43-K80 WeakPolarHBondContact O-CB 2.99Å; D43-K80 WeakPolarHBondContact O-CD 3.34Å; D43-K80 VanDerWaalsContact O-CG 3.24Å; D43-K80 WeakPolarHBondContact O-CG 2.83Å; D43-K80 PolarHBondContact O-N 3.39Å; K78-K80 PolarHBondContact O-N 2.86Å
81	E	94.2	Very high	97.5	Very high	171 Å²	171	42.9 Å²	42.9	80%	0.799	20%	0.198	S	C	*	.	T	Hydrogen-bonded Turn	trans	-85.5	-47.6	-178.8	-55.7	-176.2	160.6	0	0	114	H79	H79-E81 PolarHBondContact ND1-N 2.91Å; H79-E81 VanDerWaalsContact ND1-N 3.19Å; H79-E81 PolarHBondContact O-N 3.43Å
82	K	92.6	Very high	97.4	Very high	144 Å²	144	44.7 Å²	44.7	63%	0.626	21%	0.206	S	C	*	.	T	Hydrogen-bonded Turn	trans	-80.8	-18.3	-173.7	-63.3	175.6	-175.9	167.9	0	113.9	H79 T84	H79-K82 HydrophobicContact CB-CB 4.2Å; H79-K82 PolarHBondContact ND1-N 3.01Å; H79-K82 VanDerWaalsContact ND1-N 3.19Å; K82-T84 HydrophobicContact CB-CG2 4.16Å; K82-T84 PolarHBondContact O-N 2.86Å
83	G	93.4	Very high	97.3	Very high	8 Å²	8	56.3 Å²	56.3	8%	0.082	25%	0.25	C	C	.	.			trans	70.2	-5.6	-175.1	0	0	0	0	0	115.4	H79 Q164	H79-G83 WeakPolarHBondContact O-CA 3.24Å; H79-G83 PolarHBondContact O-N 3.19Å; G83-Q164 VanDerWaalsContact C-OE1 3.28Å; G83-Q164 PolarHBondContact O-NE2 3.4Å; G83-Q164 PolarHBondContact O-OE1 3.19Å
84	T	96.1	Very high	97.2	Very high	57 Å²	57	57.7 Å²	57.7	35%	0.35	26%	0.26	S	S	.	.			trans	-63.8	141.4	178.1	54.3	0	0	0	0	111.5	K78 H79 K82	K78-T84 WeakPolarHBondContact CA-O 3.27Å; H79-T84 WeakPolarHBondContact CB-OG1 3.49Å; H79-T84 PolarHBondContact N-O 3.02Å; K82-T84 HydrophobicContact CB-CG2 4.16Å; K82-T84 PolarHBondContact O-N 2.86Å
85	I	98.2	Very high	97	Very high	1 Å²	1	63.1 Å²	63.1	1%	0.005	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	128.7	-179.1	-51.4	-179.4	0	0	0	110.1	L47 L77 K78 Q102 I103 C157 E160 V161	L47-I85 HydrophobicContact CD1-CD1 3.92Å; L47-I85 HydrophobicContact CD1-CG2 4.35Å; L77-I85 CarbonylContact O-C 3.53Å; L77-I85 VanDerWaalsContact O-CA 3.25Å; L77-I85 WeakPolarHBondContact O-CA 3.45Å; L77-I85 WeakPolarHBondContact O-CG2 2.83Å; K78-I85 HydrophobicContact CB-CG1 4.03Å; K78-I85 HydrophobicContact CD-CD1 4.47Å; K78-I85 HydrophobicContact CD-CG1 4.44Å; K78-I85 HydrophobicContact CG-CG1 4.01Å; I85-Q102 PolarHBondContact O-OE1 2.95Å; I85-I103 HydrophobicContact CG2-CD1 3.86Å; I85-I103 HydrophobicContact CG2-CG1 4.43Å; I85-I103 PolarHBondContact O-N 2.8Å; I85-C157 HydrophobicContact CD1-CB 3.84Å; I85-C157 HydrophobicContact CG2-CB 4.05Å; I85-E160 HydrophobicContact CD1-CB 4.36Å; I85-E160 HydrophobicContact CD1-CG 4.45Å; I85-V161 HydrophobicContact CB-CG2 3.97Å; I85-V161 HydrophobicContact CD1-CG2 4.02Å; I85-V161 HydrophobicContact CG1-CG2 3.93Å
86	R	98.3	Very high	97	Very high	36 Å²	36	67.6 Å²	67.6	14%	0.136	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	153.7	175.6	66.9	174.1	176.6	171.8	-4.1	112.9	L40 E44 L76 L77 N100 H101	L40-R86 PolarHBondContact O-NH2 3.05Å; E44-R86 VanDerWaalsContact CD-NH2 3.32Å; E44-R86 IonicContact OE1-CZ 2.74Å; E44-R86 IonicContact OE1-NE 3.77Å; E44-R86 PolarHBondContact OE1-NE 2.87Å; E44-R86 IonicContact OE1-NH2 3.07Å; E44-R86 PolarHBondContact OE1-NH2 2.97Å; E44-R86 IonicContact OE2-CZ 3.19Å; E44-R86 IonicContact OE2-NE 3.73Å; E44-R86 PolarHBondContact OE2-NE 3.25Å; E44-R86 IonicContact OE2-NH2 2.61Å; E44-R86 PolarHBondContact OE2-NH2 2.84Å; L76-R86 WeakPolarHBondContact CA-O 3.15Å; L77-R86 HydrophobicContact CB-CG 4.1Å; L77-R86 PolarHBondContact N-O 2.86Å; L77-R86 PolarHBondContact O-N 2.88Å; R86-N100 PolarHBondContact NH1-OD1 3.47Å; R86-H101 CarbonylContact C-O 3.52Å; R86-H101 VanDerWaalsContact CA-O 3.3Å; R86-H101 WeakPolarHBondContact CA-O 3.48Å; R86-H101 WeakPolarHBondContact CB-O 3.45Å
87	L	98.6	Very high	97	Very high	1 Å²	1	69.7 Å²	69.7	1%	0.005	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.7	125.7	165.5	-173.6	153.9	0	0	0	108.4	V74 K75 L76 A99 N100 H101 W121 F150 F154	V74-L87 HydrophobicContact CG2-CD1 4.05Å; V74-L87 HydrophobicContact CG2-CD2 3.93Å; V74-L87 HydrophobicContact CG2-CG 3.81Å; K75-L87 WeakPolarHBondContact O-CA 3.44Å; L76-L87 HydrophobicContact CD2-CB 4.02Å; L76-L87 HydrophobicContact CD2-CD1 4.12Å; L76-L87 HydrophobicContact CD2-CG 4.05Å; L87-A99 HydrophobicContact CD2-CB 3.65Å; L87-N100 VanDerWaalsContact O-CA 3.3Å; L87-N100 WeakPolarHBondContact O-CA 3.22Å; L87-H101 PolarHBondContact N-O 3.35Å; L87-H101 PolarHBondContact O-N 2.94Å; L87-H101 VanDerWaalsContact O-N 3.15Å; L87-W121 HydrophobicContact CD1-CH2 4.43Å; L87-W121 HydrophobicContact CD1-CZ2 3.89Å; L87-F150 HydrophobicContact CD1-CE2 4.41Å; L87-F150 HydrophobicContact CD1-CZ 4Å; L87-F154 HydrophobicContact CD1-CE2 4.42Å
88	L	98.6	Very high	96.9	Very high	3 Å²	3	69.6 Å²	69.6	2%	0.016	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.8	133.1	175.5	-174.9	69	0	0	0	110	E41 K75 L77 I97 A99 N100	E41-L88 HydrophobicContact CG-CD2 3.69Å; E41-L88 WeakPolarHBondContact OE1-CD2 3.25Å; K75-L88 PolarHBondContact N-O 3.31Å; K75-L88 PolarHBondContact O-N 2.82Å; L77-L88 HydrophobicContact CD1-CB 3.83Å; L77-L88 HydrophobicContact CD1-CD2 3.64Å; L77-L88 HydrophobicContact CD1-CG 4.4Å; L88-I97 HydrophobicContact CD1-CD1 4.18Å; L88-I97 HydrophobicContact CD1-CG1 4.33Å; L88-I97 HydrophobicContact CD1-CG2 3.99Å; L88-A99 WeakPolarHBondContact CA-O 3.49Å; L88-N100 HydrophobicContact CD1-CB 3.87Å
89	M	98.7	Very high	97	Very high	1 Å²	1	67.5 Å²	67.5	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	135.1	176.1	-168.8	-179.9	175.6	0	0	110.4	A52 L54 G72 D73 V74 I97 C98 A99	A52-M89 HydrophobicContact CB-CE 4.27Å; A52-M89 WeakPolarHBondContact O-CE 3.5Å; L54-M89 HydrophobicContact CB-CE 4.17Å; L54-M89 HydrophobicContact CB-SD 3.69Å; L54-M89 HydrophobicContact CD2-SD 4.25Å; L54-M89 HydrophobicContact CG-SD 4.44Å; G72-M89 WeakPolarHBondContact O-CE 3.49Å; D73-M89 WeakPolarHBondContact O-CG 3.41Å; V74-M89 HydrophobicContact CB-CB 4.43Å; V74-M89 HydrophobicContact CB-CG 4.21Å; V74-M89 HydrophobicContact CB-SD 4.22Å; M89-I97 WeakPolarHBondContact O-CA 3.48Å; M89-C98 VanDerWaalsContact CG-SG 3.53Å; M89-C98 PolarHBondContact O-N 2.66Å; M89-C98 PolarHBondContact O-SG 3.05Å; M89-A99 HydrophobicContact CB-CB 4.18Å; M89-A99 PolarHBondContact N-O 2.85Å; M89-A99 PolarHBondContact O-N 3.05Å
90	R	98.4	Very high	97	Very high	70 Å²	70	67.2 Å²	67.2	26%	0.264	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	144.9	177.5	-66.6	177	-176.9	-86.4	2.5	110.2	T39 E41 G72 L95 K96 I97	T39-R90 PolarHBondContact O-NH2 2.99Å; E41-R90 IonicContact OE1-CZ 3.94Å; E41-R90 IonicContact OE1-NE 2.83Å; E41-R90 PolarHBondContact OE1-NE 3.29Å; E41-R90 IonicContact OE1-NH2 3.93Å; E41-R90 PolarHBondContact OE1-NH2 2.85Å; G72-R90 WeakPolarHBondContact CA-O 3.49Å; R90-L95 PolarHBondContact NH1-O 2.97Å; R90-L95 VanDerWaalsContact NH1-O 3.17Å; R90-K96 CarbonylContact C-O 3.56Å; R90-K96 WeakPolarHBondContact CA-O 3.33Å; R90-I97 HydrophobicContact CG-CG1 4.24Å
91	R	98.4	Very high	97.1	Very high	64 Å²	64	61 Å²	61	24%	0.242	28%	0.282	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.5	145.9	174.6	-63	-177.3	-170.7	82	-1.4	110.8	R69 T71 T94 L95 K96 I97 C98	R69-R91 PolarHBondContact O-NE 3.21Å; R69-R91 PolarHBondContact O-NH2 3.05Å; T71-R91 WeakPolarHBondContact O-CA 3.42Å; R91-T94 WeakPolarHBondContact CB-OG1 3.45Å; R91-L95 VanDerWaalsContact O-CA 3.26Å; R91-L95 WeakPolarHBondContact O-CA 3.43Å; R91-L95 PolarHBondContact O-N 3.32Å; R91-K96 PolarHBondContact N-O 3.06Å; R91-I97 PolarHBondContact NH1-O 3.44Å; R91-C98 HydrophobicContact CG-CB 3.99Å
92	D	97.3	Very high	97.3	Very high	68 Å²	68	57.5 Å²	57.5	36%	0.364	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.4	153.5	170	-65.9	-18.7	0	0	0	112.4	R51 T71 T94	R51-D92 IonicContact CZ-OD1 3.61Å; R51-D92 IonicContact CZ-OD2 3.82Å; R51-D92 IonicContact NH1-OD1 2.83Å; R51-D92 PolarHBondContact NH1-OD1 3.31Å; R51-D92 IonicContact NH1-OD2 2.73Å; R51-D92 PolarHBondContact NH1-OD2 3.5Å; R51-D92 IonicContact NH2-OD2 2.74Å; R51-D92 PolarHBondContact NH2-OD2 3.22Å; T71-D92 PolarHBondContact O-N 3.19Å; D92-T94 PolarHBondContact O-N 3.33Å
93	R	95.5	Very high	97.5	Very high	245 Å²	245	50.9 Å²	50.9	93%	0.925	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	64.6	-54.8	176.3	-52.5	179.9	-180	-179.7	-1.7	113.4
94	T	96.1	Very high	97.5	Very high	85 Å²	85	52.8 Å²	52.8	52%	0.521	25%	0.249	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.2	-22	-179.3	65	0	0	0	0	113.8	R91 D92 K96	R91-T94 WeakPolarHBondContact CB-OG1 3.45Å; D92-T94 PolarHBondContact O-N 3.33Å; T94-K96 PolarHBondContact O-N 2.98Å
95	L	95.6	Very high	97.4	Very high	115 Å²	115	51.9 Å²	51.9	60%	0.602	24%	0.244	S	C	*	.			trans	57	9.4	-177.8	-53.2	178.8	0	0	0	115.2	R90 R91	R90-L95 PolarHBondContact NH1-O 2.97Å; R90-L95 VanDerWaalsContact NH1-O 3.17Å; R91-L95 VanDerWaalsContact O-CA 3.26Å; R91-L95 WeakPolarHBondContact O-CA 3.43Å; R91-L95 PolarHBondContact O-N 3.32Å
96	K	97.6	Very high	97	Very high	143 Å²	143	59.4 Å²	59.4	62%	0.622	28%	0.283	S	S	*	.			trans	-65.3	137.8	176	-69.2	-170	177.3	-173.4	0	110.3	R90 R91 T94	R90-K96 CarbonylContact C-O 3.56Å; R90-K96 WeakPolarHBondContact CA-O 3.33Å; R91-K96 PolarHBondContact N-O 3.06Å; T94-K96 PolarHBondContact O-N 2.98Å
97	I	98.3	Very high	96.9	Very high	43 Å²	43	58.4 Å²	58.4	22%	0.221	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.5	136.7	175.4	-59.4	175.4	0	0	0	109.2	L88 M89 R90 R91 A99 N100 A128	L88-I97 HydrophobicContact CD1-CD1 4.18Å; L88-I97 HydrophobicContact CD1-CG1 4.33Å; L88-I97 HydrophobicContact CD1-CG2 3.99Å; M89-I97 WeakPolarHBondContact O-CA 3.48Å; R90-I97 HydrophobicContact CG-CG1 4.24Å; R91-I97 PolarHBondContact NH1-O 3.44Å; I97-A99 WeakPolarHBondContact CG2-O 3.12Å; I97-N100 HydrophobicContact CG2-CB 3.75Å; I97-A128 HydrophobicContact CG2-CB 3.91Å
98	C	98.2	Very high	96.7	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	-12.1	175.1	62	0	0	0	0	113.8	L54 R69 M89 R91	L54-C98 WeakPolarHBondContact CD2-O 3.45Å; R69-C98 HydrophobicContact CG-CB 4.27Å; R69-C98 WeakPolarHBondContact CG-O 3.29Å; M89-C98 VanDerWaalsContact CG-SG 3.53Å; M89-C98 PolarHBondContact O-N 2.66Å; M89-C98 PolarHBondContact O-SG 3.05Å; R91-C98 HydrophobicContact CG-CB 3.99Å
99	A	98.5	Very high	96.6	Very high	0 Å²	0	63.5 Å²	63.5	0%	0	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	138.9	163.3	0	0	0	0	0	109.4	L54 L87 L88 M89 I97 D126	L54-A99 HydrophobicContact CD2-CB 3.63Å; L87-A99 HydrophobicContact CD2-CB 3.65Å; L88-A99 WeakPolarHBondContact CA-O 3.49Å; M89-A99 HydrophobicContact CB-CB 4.18Å; M89-A99 PolarHBondContact N-O 2.85Å; M89-A99 PolarHBondContact O-N 3.05Å; I97-A99 WeakPolarHBondContact CG2-O 3.12Å; A99-D126 WeakPolarHBondContact CA-OD2 3.39Å
100	N	98.5	Very high	96.5	Very high	21 Å²	21	69 Å²	69	11%	0.112	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.2	97.3	174.5	178.5	19.2	0	0	0	109.2	R86 L87 L88 I97 D126 Y127	R86-N100 PolarHBondContact NH1-OD1 3.47Å; L87-N100 VanDerWaalsContact O-CA 3.3Å; L87-N100 WeakPolarHBondContact O-CA 3.22Å; L88-N100 HydrophobicContact CD1-CB 3.87Å; I97-N100 HydrophobicContact CG2-CB 3.75Å; N100-D126 PolarHBondContact N-OD2 2.8Å; N100-Y127 WeakPolarHBondContact O-CB 3.42Å; N100-Y127 PolarHBondContact O-N 2.87Å
101	H	98.5	Very high	96.4	Very high	5 Å²	5	70.3 Å²	70.3	2%	0.023	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.2	154.6	178	48.6	-90	0	0	0	111.7	R86 L87 W121 T123 D126	R86-H101 CarbonylContact C-O 3.52Å; R86-H101 VanDerWaalsContact CA-O 3.3Å; R86-H101 WeakPolarHBondContact CA-O 3.48Å; R86-H101 WeakPolarHBondContact CB-O 3.45Å; L87-H101 PolarHBondContact N-O 3.35Å; L87-H101 PolarHBondContact O-N 2.94Å; L87-H101 VanDerWaalsContact O-N 3.15Å; H101-W121 AromaticContact CE1-NE1 3.75Å; H101-W121 AromaticContact NE2-CE2 3.87Å; H101-W121 AromaticContact NE2-NE1 3.13Å; H101-W121 PolarHBondContact NE2-NE1 2.86Å; H101-W121 VanDerWaalsContact NE2-NE1 3.13Å; H101-T123 WeakPolarHBondContact CB-OG1 3.27Å; H101-D126 IonicContact CE1-OD2 2.69Å; H101-D126 IonicContact CG-OD2 3.34Å; H101-D126 IonicContact ND1-OD2 3.5Å; H101-D126 PolarHBondContact ND1-OD2 2.93Å
102	Q	97.8	Very high	96.1	Very high	98 Å²	98	69.8 Å²	69.8	46%	0.458	35%	0.347	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	143.9	174.3	-59.4	-60.4	-34	0	0	110.7	I85	I85-Q102 PolarHBondContact O-OE1 2.95Å
103	I	97.2	Very high	95.4	Very high	5 Å²	5	72.3 Å²	72.3	3%	0.026	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-75.8	124	167.2	-62	-175.1	0	0	0	107.7	L76 I85 F154 C157 K158	L76-I103 HydrophobicContact CD1-CD1 4.39Å; L76-I103 HydrophobicContact CD2-CD1 3.97Å; I85-I103 HydrophobicContact CG2-CD1 3.86Å; I85-I103 HydrophobicContact CG2-CG1 4.43Å; I85-I103 PolarHBondContact O-N 2.8Å; I103-F154 HydrophobicContact CD1-CD2 4.08Å; I103-F154 HydrophobicContact CD1-CE2 3.93Å; I103-F154 HydrophobicContact CD1-CZ 4.44Å; I103-F154 HydrophobicContact CG1-CE2 4.07Å; I103-F154 HydrophobicContact CG1-CZ 4.35Å; I103-F154 HydrophobicContact CG2-CE1 4.39Å; I103-F154 HydrophobicContact CG2-CZ 4.13Å; I103-C157 HydrophobicContact CD1-CB 3.74Å; I103-K158 HydrophobicContact CG2-CB 4.12Å
104	S	94.1	Very high	94.9	Very high	47 Å²	47	64.9 Å²	64.9	33%	0.329	37%	0.371	S	S	.	.	P	Polyproline II helix	trans	-101.2	145.3	176.7	172.1	0	0	0	0	110.9	L106 M107	S104-L106 PolarHBondContact O-N 2.74Å; S104-L106 PolarHBondContact OG-N 3.37Å; S104-M107 VanDerWaalsContact O-CB 3.27Å; S104-M107 WeakPolarHBondContact O-CB 2.96Å; S104-M107 PolarHBondContact O-N 2.68Å
105	P	92.1	Very high	94.7	Very high	38 Å²	38	62.1 Å²	62.1	25%	0.247	36%	0.355	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.1	-19	172.7	-26.5	36.1	0	0	0	114.8	K158 V161 K162	P105-K158 WeakPolarHBondContact O-CE 3.2Å; P105-V161 HydrophobicContact CG-CG1 3.97Å; P105-K162 HydrophobicContact CB-CB 4.02Å; P105-K162 HydrophobicContact CB-CG 4.25Å; P105-K162 HydrophobicContact CG-CB 4.25Å
106	L	91.3	Very high	94.6	Very high	159 Å²	159	62.1 Å²	62.1	83%	0.832	36%	0.355	S	S	*	.	T	Hydrogen-bonded Turn	trans	-95	-6.5	178.4	-60.1	177.1	0	0	0	113	S104	S104-L106 PolarHBondContact O-N 2.74Å; S104-L106 PolarHBondContact OG-N 3.37Å
107	M	95.1	Very high	94.6	Very high	15 Å²	15	60 Å²	60	7%	0.074	34%	0.343	C	S	.	.			trans	-71.6	138.4	-179.3	-161	169.8	-74.2	0	0	110.3	S104 W121 F154 K158	S104-M107 VanDerWaalsContact O-CB 3.27Å; S104-M107 WeakPolarHBondContact O-CB 2.96Å; S104-M107 PolarHBondContact O-N 2.68Å; M107-W121 HydrophobicContact CG-CB 4.36Å; M107-W121 HydrophobicContact CG-CG 4.4Å; M107-W121 HydrophobicContact SD-CG 4.35Å; M107-F154 HydrophobicContact CB-CE1 4.47Å; M107-F154 HydrophobicContact CB-CZ 4.36Å; M107-F154 HydrophobicContact CG-CE1 4.35Å; M107-F154 HydrophobicContact CG-CZ 3.93Å; M107-F154 HydrophobicContact SD-CE2 4.38Å; M107-F154 HydrophobicContact SD-CZ 3.61Å; M107-K158 VanDerWaalsContact O-CD 3.31Å; M107-K158 WeakPolarHBondContact O-CD 3.27Å; M107-K158 WeakPolarHBondContact O-CE 2.95Å; M107-K158 PolarHBondContact O-NZ 3.5Å
108	E	94.7	Very high	94.5	Very high	109 Å²	109	58.2 Å²	58.2	51%	0.509	34%	0.335	S	S	.	.			trans	-136.1	127.3	-177.9	-173.5	-176.2	-160	0	0	110.6	K110 W121	E108-K110 HydrophobicContact CG-CG 4.31Å; E108-K110 PolarHBondContact O-N 2.79Å; E108-K110 WeakPolarHBondContact OE2-CE 3.14Å; E108-K110 IonicContact OE2-NZ 3.31Å; E108-W121 WeakPolarHBondContact O-CB 3.3Å
109	L	96.9	Very high	94.6	Very high	3 Å²	3	59 Å²	59	2%	0.016	34%	0.338	C	S	.	.			trans	-82.2	110.3	170.7	-64.1	-177.9	0	0	0	109.9	W119 W121 F150 K151 F154	L109-W119 HydrophobicContact CB-CB 4.19Å; L109-W119 HydrophobicContact CB-CD2 4.37Å; L109-W119 HydrophobicContact CB-CE3 4.3Å; L109-W119 HydrophobicContact CB-CG 4.33Å; L109-W119 HydrophobicContact CD1-CG 4.38Å; L109-W119 HydrophobicContact CD2-CB 4.14Å; L109-W121 HydrophobicContact CD2-CB 4Å; L109-W121 HydrophobicContact CD2-CD2 3.88Å; L109-W121 HydrophobicContact CD2-CE3 3.66Å; L109-W121 HydrophobicContact CD2-CG 4.06Å; L109-W121 HydrophobicContact CD2-CZ3 4.45Å; L109-F150 HydrophobicContact CD1-CD1 3.92Å; L109-F150 HydrophobicContact CD1-CE1 3.66Å; L109-F150 HydrophobicContact CD2-CE1 4.15Å; L109-K151 HydrophobicContact CD1-CB 4.17Å; L109-K151 HydrophobicContact CD1-CG 4.25Å; L109-K151 PolarHBondContact O-NZ 3.44Å; L109-F154 HydrophobicContact CD1-CB 3.67Å; L109-F154 HydrophobicContact CD1-CD1 3.71Å; L109-F154 HydrophobicContact CD1-CD2 4.23Å; L109-F154 HydrophobicContact CD1-CE1 4.44Å; L109-F154 HydrophobicContact CD1-CG 3.6Å; L109-F154 HydrophobicContact CD2-CD1 4.36Å; L109-F154 HydrophobicContact CD2-CE1 4.32Å; L109-F154 HydrophobicContact CD2-CE2 4.45Å; L109-F154 HydrophobicContact CD2-CG 4.47Å; L109-F154 HydrophobicContact CD2-CZ 4.36Å; L109-F154 HydrophobicContact CG-CD1 3.72Å; L109-F154 HydrophobicContact CG-CE1 3.99Å; L109-F154 HydrophobicContact CG-CG 4.04Å
110	K	96.9	Very high	94.5	Very high	117 Å²	117	60 Å²	60	51%	0.509	34%	0.344	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	141.2	175.7	-65.3	-175.8	179.3	-179.7	0	110.9	E108 W119 V120	E108-K110 HydrophobicContact CG-CG 4.31Å; E108-K110 PolarHBondContact O-N 2.79Å; E108-K110 WeakPolarHBondContact OE2-CE 3.14Å; E108-K110 IonicContact OE2-NZ 3.31Å; K110-W119 CarbonylContact O-C 3.56Å; K110-W119 WeakPolarHBondContact O-CA 3.22Å; K110-V120 PolarHBondContact N-O 3.31Å; K110-V120 PolarHBondContact O-N 3.07Å
111	P	96.3	Very high	94.5	Very high	96 Å²	96	59.2 Å²	59.2	62%	0.623	34%	0.339	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-64.2	142	176.7	27	-33.1	0	0	0	110.4	W119	P111-W119 HydrophobicContact CB-CE3 4.36Å; P111-W119 HydrophobicContact CB-CZ3 3.9Å
112	N	91.7	Very high	94.5	Very high	53 Å²	53	63 Å²	63	28%	0.283	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.3	173.4	-171.5	44.6	0	0	0	110.7	G114 S115 A118 V120	N112-G114 PolarHBondContact O-N 3.5Å; N112-S115 PolarHBondContact O-N 2.99Å; N112-A118 HydrophobicContact CB-CB 4.04Å; N112-A118 PolarHBondContact N-O 2.85Å; N112-V120 HydrophobicContact CB-CG2 3.8Å
113	S	82.9	Confident	94.4	Very high	121 Å²	121	58.6 Å²	58.6	85%	0.846	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.1	113.4	174.3	-62.2	0	0	0	0	110
114	G	85.4	Confident	94.3	Very high	90 Å²	90	65.1 Å²	65.1	93%	0.928	37%	0.374	S	S	*	.	T	Hydrogen-bonded Turn	trans	100.7	5.8	-178.7	0	0	0	0	0	115.8	N112	N112-G114 PolarHBondContact O-N 3.5Å
115	S	91.9	Very high	94.5	Very high	27 Å²	27	65.4 Å²	65.4	19%	0.189	38%	0.379	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-145	124.8	171.5	174.6	0	0	0	0	112.2	N112 R117 A118	N112-S115 PolarHBondContact O-N 2.99Å; S115-R117 VanDerWaalsContact C-N 3.27Å; S115-R117 PolarHBondContact O-N 2.61Å; S115-R117 WeakPolarHBondContact OG-CG 3.36Å; S115-R117 PolarHBondContact OG-N 2.74Å; S115-A118 VanDerWaalsContact OG-CB 3.29Å; S115-A118 WeakPolarHBondContact OG-CB 3.49Å; S115-A118 PolarHBondContact OG-N 2.69Å
116	D	93.6	Very high	94.8	Very high	114 Å²	114	63.7 Å²	63.7	61%	0.61	37%	0.368	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-75.4	-15.4	172.5	63.9	-15.9	0	0	0	113.8	A144	D116-A144 HydrophobicContact CB-CB 4.32Å
117	R	96.4	Very high	95.1	Very high	98 Å²	98	61.4 Å²	61.4	37%	0.37	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	22.2	-175.4	62.6	-173	162.4	168.6	-8.7	114.3	S115 R140 F141 L142 A147	S115-R117 VanDerWaalsContact C-N 3.27Å; S115-R117 PolarHBondContact O-N 2.61Å; S115-R117 WeakPolarHBondContact OG-CG 3.36Å; S115-R117 PolarHBondContact OG-N 2.74Å; R117-R140 HydrophobicContact CG-CG 4.07Å; R117-R140 WeakPolarHBondContact O-CA 3.49Å; R117-F141 WeakPolarHBondContact CD-O 3.39Å; R117-F141 PolarHBondContact O-N 3.43Å; R117-L142 WeakPolarHBondContact CD-O 3.37Å; R117-L142 PolarHBondContact NH1-O 3.03Å; R117-A147 HydrophobicContact CB-CB 4.34Å
118	A	97.6	Very high	95.2	Very high	6 Å²	6	61.3 Å²	61.3	5%	0.05	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.1	143.7	-179.3	0	0	0	0	0	113.3	N112 S115 I139 R140	N112-A118 HydrophobicContact CB-CB 4.04Å; N112-A118 PolarHBondContact N-O 2.85Å; S115-A118 VanDerWaalsContact OG-CB 3.29Å; S115-A118 WeakPolarHBondContact OG-CB 3.49Å; S115-A118 PolarHBondContact OG-N 2.69Å; A118-I139 CarbonylContact C-O 3.56Å; A118-I139 WeakPolarHBondContact CA-O 3.49Å; A118-I139 WeakPolarHBondContact CB-O 3.48Å; A118-R140 HydrophobicContact CB-CB 4.19Å; A118-R140 HydrophobicContact CB-CG 4.26Å
119	W	98.3	Very high	95.2	Very high	18 Å²	18	59.2 Å²	59.2	7%	0.068	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	147.3	176.2	-58.5	111.4	0	0	0	110.6	L109 K110 P111 A138 I139 A147 Q148 F150 K151	L109-W119 HydrophobicContact CB-CB 4.19Å; L109-W119 HydrophobicContact CB-CD2 4.37Å; L109-W119 HydrophobicContact CB-CE3 4.3Å; L109-W119 HydrophobicContact CB-CG 4.33Å; L109-W119 HydrophobicContact CD1-CG 4.38Å; L109-W119 HydrophobicContact CD2-CB 4.14Å; K110-W119 CarbonylContact O-C 3.56Å; K110-W119 WeakPolarHBondContact O-CA 3.22Å; P111-W119 HydrophobicContact CB-CE3 4.36Å; P111-W119 HydrophobicContact CB-CZ3 3.9Å; W119-A138 CarbonylContact O-C 3.59Å; W119-A138 VanDerWaalsContact O-CA 3.22Å; W119-A138 WeakPolarHBondContact O-CA 3.37Å; W119-I139 HydrophobicContact CB-CG2 4.22Å; W119-I139 PolarHBondContact N-O 3.42Å; W119-I139 PolarHBondContact O-N 3.31Å; W119-A147 PolarHBondContact NE1-O 2.75Å; W119-Q148 VanDerWaalsContact CZ2-NE2 3.32Å; W119-F150 AromaticContact CD1-CD1 3.9Å; W119-K151 HydrophobicContact CD2-CD 4.31Å; W119-K151 HydrophobicContact CE3-CD 4.22Å; W119-K151 HydrophobicContact CH2-CD 3.28Å; W119-K151 HydrophobicContact CZ2-CB 3.81Å; W119-K151 HydrophobicContact CZ2-CD 3.33Å; W119-K151 HydrophobicContact CZ2-CG 4.18Å; W119-K151 HydrophobicContact CZ3-CD 3.74Å
120	V	98.2	Very high	95.1	Very high	20 Å²	20	66.8 Å²	66.8	12%	0.121	38%	0.378	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	136.9	177.4	-174.8	0	0	0	0	109.1	W66 K110 N112 L136 L137 A138	W66-V120 HydrophobicContact CH2-CG1 3.85Å; W66-V120 HydrophobicContact CH2-CG2 4.47Å; W66-V120 HydrophobicContact CZ2-CG1 4.24Å; W66-V120 HydrophobicContact CZ2-CG2 4.43Å; K110-V120 PolarHBondContact N-O 3.31Å; K110-V120 PolarHBondContact O-N 3.07Å; N112-V120 HydrophobicContact CB-CG2 3.8Å; V120-L136 HydrophobicContact CG1-CD1 3.81Å; V120-L136 HydrophobicContact CG1-CG 4.25Å; V120-L137 CarbonylContact C-O 3.57Å; V120-L137 VanDerWaalsContact CA-O 3.28Å; V120-L137 WeakPolarHBondContact CA-O 3.47Å; V120-L137 WeakPolarHBondContact CG1-O 3.28Å; V120-A138 HydrophobicContact CG2-CB 3.95Å
121	W	98.3	Very high	95	Very high	5 Å²	5	64.3 Å²	64.3	2%	0.019	37%	0.374	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-150.5	160.1	173	71.7	101.1	0	0	0	111.6	L54 L87 H101 M107 E108 L109 L137 I139	L54-W121 HydrophobicContact CD1-CH2 3.79Å; L54-W121 HydrophobicContact CD1-CZ2 4.4Å; L87-W121 HydrophobicContact CD1-CH2 4.43Å; L87-W121 HydrophobicContact CD1-CZ2 3.89Å; H101-W121 AromaticContact CE1-NE1 3.75Å; H101-W121 AromaticContact NE2-CE2 3.87Å; H101-W121 AromaticContact NE2-NE1 3.13Å; H101-W121 PolarHBondContact NE2-NE1 2.86Å; H101-W121 VanDerWaalsContact NE2-NE1 3.13Å; M107-W121 HydrophobicContact CG-CB 4.36Å; M107-W121 HydrophobicContact CG-CG 4.4Å; M107-W121 HydrophobicContact SD-CG 4.35Å; E108-W121 WeakPolarHBondContact O-CB 3.3Å; L109-W121 HydrophobicContact CD2-CB 4Å; L109-W121 HydrophobicContact CD2-CD2 3.88Å; L109-W121 HydrophobicContact CD2-CE3 3.66Å; L109-W121 HydrophobicContact CD2-CG 4.06Å; L109-W121 HydrophobicContact CD2-CZ3 4.45Å; W121-L137 HydrophobicContact CD2-CB 4.24Å; W121-L137 HydrophobicContact CE3-CB 4.42Å; W121-L137 HydrophobicContact CH2-CB 4.06Å; W121-L137 HydrophobicContact CZ2-CB 3.88Å; W121-L137 HydrophobicContact CZ2-CD1 3.85Å; W121-L137 HydrophobicContact CZ3-CB 4.3Å; W121-L137 PolarHBondContact N-O 2.95Å; W121-L137 PolarHBondContact O-N 2.95Å; W121-I139 HydrophobicContact CE3-CG2 4.48Å; W121-I139 HydrophobicContact CH2-CB 3.78Å; W121-I139 HydrophobicContact CH2-CD1 4.49Å; W121-I139 HydrophobicContact CH2-CG2 3.92Å; W121-I139 HydrophobicContact CZ3-CB 3.62Å; W121-I139 HydrophobicContact CZ3-CG2 3.43Å; W121-I139 VanDerWaalsContact CZ3-CG2 3.43Å
122	N	97.3	Very high	95	Very high	85 Å²	85	63.7 Å²	63.7	46%	0.455	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.8	139	173.5	-173.6	-67	0	0	0	109.8	L136	N122-L136 HydrophobicContact CB-CD1 4.36Å
123	T	96.6	Very high	95.2	Very high	5 Å²	5	64.7 Å²	64.7	3%	0.031	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	135.3	166.6	179.7	0	0	0	0	109.3	H101 D126 P134 E135 L137	H101-T123 WeakPolarHBondContact CB-OG1 3.27Å; T123-D126 HydrophobicContact CG2-CB 3.85Å; T123-P134 CarbonylContact O-C 3.6Å; T123-P134 VanDerWaalsContact O-CA 3.3Å; T123-P134 WeakPolarHBondContact O-CA 3.21Å; T123-E135 HydrophobicContact CG2-CB 3.77Å; T123-E135 PolarHBondContact N-O 3.13Å; T123-E135 PolarHBondContact O-N 2.82Å; T123-L137 HydrophobicContact CG2-CD1 3.91Å; T123-L137 HydrophobicContact CG2-CG 4.39Å
124	L	95.8	Very high	95.9	Very high	142 Å²	142	63.5 Å²	63.5	74%	0.743	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-82.6	-21.2	-176.8	-60.8	177.9	0	0	0	113	P134	L124-P134 WeakPolarHBondContact O-CA 3.44Å
125	A	97.1	Very high	96.5	Very high	53 Å²	53	60 Å²	60	44%	0.438	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.3	68.8	-172.3	0	0	0	0	0	111.1	P132	A125-P132 HydrophobicContact CB-CB 4.17Å
126	D	98.2	Very high	96.7	Very high	2 Å²	2	61.4 Å²	61.4	1%	0.011	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	135.6	165.2	-171.4	-102.3	0	0	0	110.9	R69 A99 N100 H101 T123 A128 C131 P132 K133 E135	R69-D126 IonicContact NH1-OD1 2.67Å; A99-D126 WeakPolarHBondContact CA-OD2 3.39Å; N100-D126 PolarHBondContact N-OD2 2.8Å; H101-D126 IonicContact CE1-OD2 2.69Å; H101-D126 IonicContact CG-OD2 3.34Å; H101-D126 IonicContact ND1-OD2 3.5Å; H101-D126 PolarHBondContact ND1-OD2 2.93Å; T123-D126 HydrophobicContact CG2-CB 3.85Å; D126-A128 WeakPolarHBondContact OD1-CB 3.3Å; D126-A128 PolarHBondContact OD1-N 3.39Å; D126-A128 VanDerWaalsContact OD1-N 3.15Å; D126-C131 VanDerWaalsContact O-O 3.08Å; D126-P132 CarbonylContact O-C 3.59Å; D126-P132 WeakPolarHBondContact O-CA 3.44Å; D126-K133 PolarHBondContact N-O 2.94Å; D126-K133 PolarHBondContact O-N 2.67Å; D126-E135 HydrophobicContact CB-CB 4.31Å; D126-E135 HydrophobicContact CB-CG 3.76Å
127	Y	98	Very high	97	Very high	111 Å²	111	56 Å²	56	44%	0.435	30%	0.297	S	S	.	.			trans	-117.3	26.3	-173.9	-157.1	-105.5	0	0	0	112.1	N100 D129 E130 P132	N100-Y127 WeakPolarHBondContact O-CB 3.42Å; N100-Y127 PolarHBondContact O-N 2.87Å; Y127-D129 VanDerWaalsContact C-N 3.26Å; Y127-D129 PolarHBondContact O-N 2.93Å; Y127-E130 HydrophobicContact CE1-CB 4.31Å; Y127-E130 WeakPolarHBondContact CE2-O 3.34Å; Y127-E130 PolarHBondContact O-N 2.73Å; Y127-E130 PolarHBondContact OH-O 3.19Å; Y127-P132 HydrophobicContact CD2-CB 4.47Å; Y127-P132 HydrophobicContact CD2-CG 3.9Å; Y127-P132 HydrophobicContact CE2-CG 4Å
128	A	96.9	Very high	97.1	Very high	12 Å²	12	51.6 Å²	51.6	10%	0.099	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	-67.3	-26.5	-179.9	0	0	0	0	0	113.8	I97 D126	I97-A128 HydrophobicContact CG2-CB 3.91Å; D126-A128 WeakPolarHBondContact OD1-CB 3.3Å; D126-A128 PolarHBondContact OD1-N 3.39Å; D126-A128 VanDerWaalsContact OD1-N 3.15Å
129	D	94.6	Very high	97.1	Very high	66 Å²	66	51.4 Å²	51.4	35%	0.353	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.1	24	178.2	-51.2	-30.7	0	0	0	111.8	R56 R69 Y127 C131 K133	R56-D129 IonicContact NH2-OD2 3.34Å; R56-D129 PolarHBondContact NH2-OD2 3.17Å; R69-D129 IonicContact CZ-OD1 2.76Å; R69-D129 IonicContact NH2-OD1 2.9Å; R69-D129 PolarHBondContact NH2-OD1 3.15Å; R69-D129 IonicContact NH2-OD2 2.82Å; R69-D129 PolarHBondContact NH2-OD2 2.88Å; Y127-D129 VanDerWaalsContact C-N 3.26Å; Y127-D129 PolarHBondContact O-N 2.93Å; D129-C131 PolarHBondContact O-N 2.94Å; D129-K133 IonicContact OD2-NZ 2.73Å; D129-K133 PolarHBondContact OD2-NZ 2.82Å
130	E	94.6	Very high	97.1	Very high	161 Å²	161	55 Å²	55	75%	0.752	29%	0.293	S	S	*	.	S	Bend	trans	58.4	17.3	-177.7	-56.7	-179.4	163.4	0	0	114.8	Y127	Y127-E130 HydrophobicContact CE1-CB 4.31Å; Y127-E130 WeakPolarHBondContact CE2-O 3.34Å; Y127-E130 PolarHBondContact O-N 2.73Å; Y127-E130 PolarHBondContact OH-O 3.19Å
131	C	95.6	Very high	97.1	Very high	65 Å²	65	54.2 Å²	54.2	44%	0.439	29%	0.289	S	S	.	.	S	Bend	trans	-139.4	131.1	177	-179.1	0	0	0	0	108.5	D126 D129 K133	D126-C131 VanDerWaalsContact O-O 3.08Å; D129-C131 PolarHBondContact O-N 2.94Å; C131-K133 PolarHBondContact O-N 3.3Å
132	P	96.7	Very high	97.1	Very high	83 Å²	83	60.3 Å²	60.3	54%	0.539	32%	0.321	S	S	.	.			trans	-67.2	121.3	-178.8	-14.9	30.3	0	0	0	110.3	A125 D126 Y127	A125-P132 HydrophobicContact CB-CB 4.17Å; D126-P132 CarbonylContact O-C 3.59Å; D126-P132 WeakPolarHBondContact O-CA 3.44Å; Y127-P132 HydrophobicContact CD2-CB 4.47Å; Y127-P132 HydrophobicContact CD2-CG 3.9Å; Y127-P132 HydrophobicContact CE2-CG 4Å
133	K	96.1	Very high	97.1	Very high	75 Å²	75	59 Å²	59	33%	0.326	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	138.6	178.6	-65.2	176.5	-169.7	172.8	0	111.3	D126 D129 C131 E135	D126-K133 PolarHBondContact N-O 2.94Å; D126-K133 PolarHBondContact O-N 2.67Å; D129-K133 IonicContact OD2-NZ 2.73Å; D129-K133 PolarHBondContact OD2-NZ 2.82Å; C131-K133 PolarHBondContact O-N 3.3Å; K133-E135 HydrophobicContact CB-CG 4.37Å
134	P	96.9	Very high	97.1	Very high	95 Å²	95	60.3 Å²	60.3	62%	0.617	33%	0.325	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-69.7	132.3	166.5	29.6	-32.5	0	0	0	109.2	T123 L124	T123-P134 CarbonylContact O-C 3.6Å; T123-P134 VanDerWaalsContact O-CA 3.3Å; T123-P134 WeakPolarHBondContact O-CA 3.21Å; L124-P134 WeakPolarHBondContact O-CA 3.44Å
135	E	97.1	Very high	97.2	Very high	16 Å²	16	60 Å²	60	8%	0.075	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.4	135.5	-175.2	-64.5	-71.5	-170.1	0	0	110.3	R56 R69 T123 D126 K133 L137	R56-E135 WeakPolarHBondContact CD-OE2 3.22Å; R56-E135 WeakPolarHBondContact CG-OE2 3.3Å; R56-E135 IonicContact CZ-OE1 3.39Å; R56-E135 IonicContact CZ-OE2 2.67Å; R56-E135 IonicContact NE-OE1 3.37Å; R56-E135 PolarHBondContact NE-OE1 3.26Å; R56-E135 IonicContact NE-OE2 2.84Å; R56-E135 PolarHBondContact NE-OE2 2.84Å; R56-E135 IonicContact NH2-OE1 3.19Å; R56-E135 PolarHBondContact NH2-OE1 3.01Å; R69-E135 IonicContact NH1-OE1 2.94Å; T123-E135 HydrophobicContact CG2-CB 3.77Å; T123-E135 PolarHBondContact N-O 3.13Å; T123-E135 PolarHBondContact O-N 2.82Å; D126-E135 HydrophobicContact CB-CB 4.31Å; D126-E135 HydrophobicContact CB-CG 3.76Å; K133-E135 HydrophobicContact CB-CG 4.37Å; E135-L137 HydrophobicContact CB-CD1 4.5Å; E135-L137 HydrophobicContact CB-CD2 3.95Å; E135-L137 HydrophobicContact CB-CG 3.97Å
136	L	97.7	Very high	97.2	Very high	58 Å²	58	58.9 Å²	58.9	30%	0.304	31%	0.307	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	110.2	164.6	-178.6	67.6	0	0	0	107.8	F57 W66 V120 N122	F57-L136 HydrophobicContact CB-CB 3.97Å; F57-L136 HydrophobicContact CB-CD2 3.86Å; F57-L136 HydrophobicContact CB-CG 4.1Å; F57-L136 HydrophobicContact CD1-CD2 3.94Å; F57-L136 HydrophobicContact CG-CD2 3.98Å; F57-L136 PolarHBondContact N-O 2.86Å; W66-L136 HydrophobicContact CH2-CD2 4.29Å; W66-L136 HydrophobicContact CH2-CG 4.04Å; V120-L136 HydrophobicContact CG1-CD1 3.81Å; V120-L136 HydrophobicContact CG1-CG 4.25Å; N122-L136 HydrophobicContact CB-CD1 4.36Å
137	L	98.3	Very high	97.2	Very high	0 Å²	0	58.8 Å²	58.8	0%	0	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	145.1	-171.8	-62.7	178	0	0	0	110.6	L54 Y55 R56 V120 W121 T123 E135	L54-L137 HydrophobicContact CD1-CB 4.28Å; Y55-L137 WeakPolarHBondContact O-CA 3.43Å; R56-L137 HydrophobicContact CB-CD2 4.38Å; V120-L137 CarbonylContact C-O 3.57Å; V120-L137 VanDerWaalsContact CA-O 3.28Å; V120-L137 WeakPolarHBondContact CA-O 3.47Å; V120-L137 WeakPolarHBondContact CG1-O 3.28Å; W121-L137 HydrophobicContact CD2-CB 4.24Å; W121-L137 HydrophobicContact CE3-CB 4.42Å; W121-L137 HydrophobicContact CH2-CB 4.06Å; W121-L137 HydrophobicContact CZ2-CB 3.88Å; W121-L137 HydrophobicContact CZ2-CD1 3.85Å; W121-L137 HydrophobicContact CZ3-CB 4.3Å; W121-L137 PolarHBondContact N-O 2.95Å; W121-L137 PolarHBondContact O-N 2.95Å; T123-L137 HydrophobicContact CG2-CD1 3.91Å; T123-L137 HydrophobicContact CG2-CG 4.39Å; E135-L137 HydrophobicContact CB-CD1 4.5Å; E135-L137 HydrophobicContact CB-CD2 3.95Å; E135-L137 HydrophobicContact CB-CG 3.97Å
138	A	98.3	Very high	97.2	Very high	6 Å²	6	57.8 Å²	57.8	5%	0.05	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	135.6	166.9	0	0	0	0	0	110	L54 Y55 W66 W119 V120	L54-A138 CarbonylContact C-O 3.51Å; L54-A138 WeakPolarHBondContact CA-O 3.35Å; Y55-A138 PolarHBondContact N-O 2.96Å; Y55-A138 PolarHBondContact O-N 3.44Å; W66-A138 HydrophobicContact CE3-CB 3.95Å; W66-A138 HydrophobicContact CH2-CB 3.63Å; W66-A138 HydrophobicContact CZ2-CB 4.25Å; W66-A138 HydrophobicContact CZ3-CB 3.46Å; W66-A138 VanDerWaalsContact CZ3-CB 3.46Å; W119-A138 CarbonylContact O-C 3.59Å; W119-A138 VanDerWaalsContact O-CA 3.22Å; W119-A138 WeakPolarHBondContact O-CA 3.37Å; V120-A138 HydrophobicContact CG2-CB 3.95Å
139	I	98.6	Very high	97.3	Very high	1 Å²	1	62.7 Å²	62.7	1%	0.005	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	134.1	176.9	-164.3	166.4	0	0	0	109.6	A52 K53 L54 V74 A118 W119 W121 F141 F150	A52-I139 HydrophobicContact CB-CD1 3.64Å; A52-I139 HydrophobicContact CB-CG1 3.62Å; K53-I139 CarbonylContact O-C 3.54Å; K53-I139 WeakPolarHBondContact O-CA 3.26Å; L54-I139 HydrophobicContact CD1-CB 4.2Å; L54-I139 HydrophobicContact CD1-CG1 4.47Å; V74-I139 HydrophobicContact CB-CD1 4Å; V74-I139 HydrophobicContact CG1-CD1 3.81Å; V74-I139 HydrophobicContact CG2-CD1 4.1Å; A118-I139 CarbonylContact C-O 3.56Å; A118-I139 WeakPolarHBondContact CA-O 3.49Å; A118-I139 WeakPolarHBondContact CB-O 3.48Å; W119-I139 HydrophobicContact CB-CG2 4.22Å; W119-I139 PolarHBondContact N-O 3.42Å; W119-I139 PolarHBondContact O-N 3.31Å; W121-I139 HydrophobicContact CE3-CG2 4.48Å; W121-I139 HydrophobicContact CH2-CB 3.78Å; W121-I139 HydrophobicContact CH2-CD1 4.49Å; W121-I139 HydrophobicContact CH2-CG2 3.92Å; W121-I139 HydrophobicContact CZ3-CB 3.62Å; W121-I139 HydrophobicContact CZ3-CG2 3.43Å; W121-I139 VanDerWaalsContact CZ3-CG2 3.43Å; I139-F141 HydrophobicContact CB-CE2 4.49Å; I139-F141 HydrophobicContact CD1-CE1 4.34Å; I139-F141 HydrophobicContact CD1-CE2 4.34Å; I139-F141 HydrophobicContact CD1-CZ 3.75Å; I139-F141 HydrophobicContact CG1-CE2 4.14Å; I139-F141 HydrophobicContact CG1-CZ 3.99Å; I139-F141 HydrophobicContact CG2-CE2 3.64Å; I139-F141 HydrophobicContact CG2-CZ 4.08Å; I139-F150 HydrophobicContact CG2-CD1 4.37Å; I139-F150 HydrophobicContact CG2-CE1 3.97Å
140	R	98.3	Very high	97.5	Very high	93 Å²	93	59.6 Å²	59.6	35%	0.351	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.5	131.3	178.1	-171	177.6	68	176.5	2.2	110.4	K53 Y55 R117 A118	K53-R140 PolarHBondContact N-O 3.1Å; K53-R140 PolarHBondContact O-N 2.71Å; Y55-R140 HydrophobicContact CE2-CB 4.18Å; Y55-R140 PolarHBondContact OH-NH2 2.99Å; R117-R140 HydrophobicContact CG-CG 4.07Å; R117-R140 WeakPolarHBondContact O-CA 3.49Å; A118-R140 HydrophobicContact CB-CB 4.19Å; A118-R140 HydrophobicContact CB-CG 4.26Å
141	F	98.5	Very high	97.6	Very high	5 Å²	5	54.1 Å²	54.1	2%	0.022	28%	0.281	C	S	.	.			trans	-101.8	171.8	177	-63.5	-84.1	0	0	0	111.4	M50 A52 V74 R117 I139 N146 A147 F150	M50-F141 HydrophobicContact CB-CE1 4.49Å; M50-F141 HydrophobicContact CE-CD1 4.17Å; M50-F141 HydrophobicContact CE-CE1 4.23Å; M50-F141 HydrophobicContact CG-CD1 4.13Å; M50-F141 HydrophobicContact CG-CE1 4.31Å; M50-F141 HydrophobicContact SD-CD1 4.39Å; A52-F141 HydrophobicContact CB-CD1 3.91Å; A52-F141 HydrophobicContact CB-CE1 3.69Å; A52-F141 HydrophobicContact CB-CZ 4.3Å; V74-F141 HydrophobicContact CG1-CE1 4.03Å; V74-F141 HydrophobicContact CG1-CZ 4.32Å; R117-F141 WeakPolarHBondContact CD-O 3.39Å; R117-F141 PolarHBondContact O-N 3.43Å; I139-F141 HydrophobicContact CB-CE2 4.49Å; I139-F141 HydrophobicContact CD1-CE1 4.34Å; I139-F141 HydrophobicContact CD1-CE2 4.34Å; I139-F141 HydrophobicContact CD1-CZ 3.75Å; I139-F141 HydrophobicContact CG1-CE2 4.14Å; I139-F141 HydrophobicContact CG1-CZ 3.99Å; I139-F141 HydrophobicContact CG2-CE2 3.64Å; I139-F141 HydrophobicContact CG2-CZ 4.08Å; F141-N146 HydrophobicContact CB-CB 3.98Å; F141-N146 HydrophobicContact CG-CB 4.46Å; F141-A147 HydrophobicContact CB-CB 4.29Å; F141-A147 VanDerWaalsContact CD2-CA 3.5Å; F141-A147 HydrophobicContact CD2-CB 3.72Å; F141-A147 HydrophobicContact CG-CB 4.34Å; F141-F150 HydrophobicContact CE1-CB 4.06Å; F141-F150 HydrophobicContact CE1-CD2 4.46Å; F141-F150 HydrophobicContact CE1-CG 4.23Å; F141-F150 HydrophobicContact CE2-CB 3.66Å; F141-F150 AromaticContact CE2-CD1 3.6Å; F141-F150 HydrophobicContact CE2-CD1 3.6Å; F141-F150 HydrophobicContact CE2-CE1 4.37Å; F141-F150 AromaticContact CE2-CG 3.67Å; F141-F150 HydrophobicContact CE2-CG 3.67Å; F141-F150 HydrophobicContact CZ-CB 3.4Å; F141-F150 VanDerWaalsContact CZ-CB 3.4Å; F141-F150 AromaticContact CZ-CD1 3.6Å; F141-F150 HydrophobicContact CZ-CD1 3.6Å; F141-F150 AromaticContact CZ-CD2 3.72Å; F141-F150 HydrophobicContact CZ-CD2 3.72Å; F141-F150 HydrophobicContact CZ-CE1 4.25Å; F141-F150 HydrophobicContact CZ-CE2 4.35Å; F141-F150 AromaticContact CZ-CG 3.27Å; F141-F150 HydrophobicContact CZ-CG 3.27Å
142	L	97.5	Very high	97.8	Very high	133 Å²	133	54.7 Å²	54.7	70%	0.696	28%	0.283	S	S	*	.	S	Bend	trans	-60.5	-45.9	179.2	-178.6	60.9	0	0	0	112	R117	R117-L142 WeakPolarHBondContact CD-O 3.37Å; R117-L142 PolarHBondContact NH1-O 3.03Å
143	N	97.3	Very high	97.8	Very high	58 Å²	58	54.5 Å²	54.5	31%	0.31	27%	0.274	S	S	.	.	S	Bend	trans	-139.3	168.2	-177.3	62	21.4	0	0	0	111.1	E145 N146 A147	N143-E145 VanDerWaalsContact C-N 3.33Å; N143-E145 PolarHBondContact O-N 2.84Å; N143-N146 PolarHBondContact O-N 2.86Å; N143-N146 WeakPolarHBondContact OD1-CB 3.45Å; N143-N146 PolarHBondContact OD1-N 2.85Å; N143-N146 PolarHBondContact OD1-ND2 3.4Å; N143-N146 PolarHBondContact OD1-OD1 2.73Å; N143-A147 PolarHBondContact O-N 3.17Å
144	A	97.3	Very high	97.9	Very high	31 Å²	31	51 Å²	51	26%	0.256	26%	0.258	S	S	.	.	H	α-helix	trans	-63.3	-37.5	-179.4	0	0	0	0	0	112.2	D116 N146 A147 Q148	D116-A144 HydrophobicContact CB-CB 4.32Å; A144-N146 VanDerWaalsContact C-N 3.34Å; A144-N146 PolarHBondContact O-N 2.78Å; A144-A147 WeakPolarHBondContact O-CB 3.22Å; A144-A147 PolarHBondContact O-N 3.18Å; A144-A147 VanDerWaalsContact O-N 3.14Å; A144-Q148 WeakPolarHBondContact O-CG 3.4Å; A144-Q148 PolarHBondContact O-N 3.44Å
145	E	97.8	Very high	98	Very high	135 Å²	135	48.8 Å²	48.8	63%	0.631	24%	0.241	S	C	*	.	H	α-helix	trans	-58.3	-44.9	177.9	-64.5	177.5	-170.8	0	0	112.4	N143 A147 Q148 K149	N143-E145 VanDerWaalsContact C-N 3.33Å; N143-E145 PolarHBondContact O-N 2.84Å; E145-A147 VanDerWaalsContact C-N 3.33Å; E145-Q148 PolarHBondContact O-N 2.89Å; E145-K149 WeakPolarHBondContact O-CG 3.47Å; E145-K149 PolarHBondContact O-N 2.92Å
146	N	98.1	Very high	98	Very high	31 Å²	31	52.6 Å²	52.6	17%	0.166	26%	0.259	C	S	.	.	H	α-helix	trans	-66.3	-37.9	177.4	-74	-7.5	0	0	0	111.5	M50 F141 N143 A144 Q148 K149 F150	M50-N146 HydrophobicContact CE-CB 3.76Å; M50-N146 WeakPolarHBondContact CE-O 3.41Å; M50-N146 HydrophobicContact SD-CB 3.45Å; M50-N146 WeakPolarHBondContact SD-CB 3.44Å; F141-N146 HydrophobicContact CB-CB 3.98Å; F141-N146 HydrophobicContact CG-CB 4.46Å; N143-N146 PolarHBondContact O-N 2.86Å; N143-N146 WeakPolarHBondContact OD1-CB 3.45Å; N143-N146 PolarHBondContact OD1-N 2.85Å; N143-N146 PolarHBondContact OD1-ND2 3.4Å; N143-N146 PolarHBondContact OD1-OD1 2.73Å; A144-N146 VanDerWaalsContact C-N 3.34Å; A144-N146 PolarHBondContact O-N 2.78Å; N146-Q148 VanDerWaalsContact C-N 3.34Å; N146-K149 PolarHBondContact O-N 2.9Å; N146-F150 PolarHBondContact O-N 3.44Å
147	A	97.8	Very high	97.9	Very high	0 Å²	0	50 Å²	50	0%	0	25%	0.246	C	C	.	.	H	α-helix	trans	-61.9	-42.3	173	0	0	0	0	0	111.5	R117 W119 F141 N143 A144 E145 F150 K151	R117-A147 HydrophobicContact CB-CB 4.34Å; W119-A147 PolarHBondContact NE1-O 2.75Å; F141-A147 HydrophobicContact CB-CB 4.29Å; F141-A147 VanDerWaalsContact CD2-CA 3.5Å; F141-A147 HydrophobicContact CD2-CB 3.72Å; F141-A147 HydrophobicContact CG-CB 4.34Å; N143-A147 PolarHBondContact O-N 3.17Å; A144-A147 WeakPolarHBondContact O-CB 3.22Å; A144-A147 PolarHBondContact O-N 3.18Å; A144-A147 VanDerWaalsContact O-N 3.14Å; E145-A147 VanDerWaalsContact C-N 3.33Å; A147-F150 PolarHBondContact O-N 2.81Å; A147-K151 PolarHBondContact O-N 2.83Å
148	Q	97.9	Very high	97.8	Very high	89 Å²	89	51.7 Å²	51.7	42%	0.416	25%	0.253	S	S	.	.	H	α-helix	trans	-65.9	-42.8	175.9	-63.7	-53.4	-35.7	0	0	112.1	W119 A144 E145 N146 F150 K151 V152	W119-Q148 VanDerWaalsContact CZ2-NE2 3.32Å; A144-Q148 WeakPolarHBondContact O-CG 3.4Å; A144-Q148 PolarHBondContact O-N 3.44Å; E145-Q148 PolarHBondContact O-N 2.89Å; N146-Q148 VanDerWaalsContact C-N 3.34Å; Q148-F150 VanDerWaalsContact C-N 3.28Å; Q148-F150 PolarHBondContact O-N 3.15Å; Q148-K151 PolarHBondContact O-N 2.79Å; Q148-K151 VanDerWaalsContact O-N 3.09Å; Q148-V152 WeakPolarHBondContact O-CG2 3.08Å; Q148-V152 PolarHBondContact O-N 2.9Å
149	K	98.4	Very high	97.7	Very high	116 Å²	116	55.4 Å²	55.4	50%	0.504	27%	0.27	S	S	.	.	H	α-helix	trans	-57	-42.4	174.7	-73	172.6	-174.4	168.6	0	111.8	M50 E145 N146 K153	M50-K149 HydrophobicContact CE-CB 4.31Å; E145-K149 WeakPolarHBondContact O-CG 3.47Å; E145-K149 PolarHBondContact O-N 2.92Å; N146-K149 PolarHBondContact O-N 2.9Å; K149-K153 WeakPolarHBondContact O-CB 3.22Å; K149-K153 WeakPolarHBondContact O-CG 3.48Å; K149-K153 PolarHBondContact O-N 3.12Å; K149-K153 VanDerWaalsContact O-N 3.12Å
150	F	98.4	Very high	97.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-61.8	-48.2	173.6	175.7	-107.6	0	0	0	111.6	F48 V74 L76 L87 L109 W119 I139 F141 N146 A147 Q148 V152 K153 F154	F48-F150 HydrophobicContact CD1-CD2 4.1Å; F48-F150 HydrophobicContact CE1-CB 4.27Å; F48-F150 AromaticContact CE1-CD2 3.49Å; F48-F150 HydrophobicContact CE1-CD2 3.49Å; F48-F150 VanDerWaalsContact CE1-CD2 3.49Å; F48-F150 HydrophobicContact CE1-CE2 4.33Å; F48-F150 HydrophobicContact CE1-CG 4.35Å; F48-F150 HydrophobicContact CZ-CB 3.72Å; F48-F150 AromaticContact CZ-CD2 3.8Å; F48-F150 HydrophobicContact CZ-CD2 3.8Å; F48-F150 HydrophobicContact CZ-CG 4.26Å; V74-F150 HydrophobicContact CG1-CE2 4.49Å; V74-F150 HydrophobicContact CG2-CE2 4.33Å; L76-F150 HydrophobicContact CD2-CE2 4.27Å; L87-F150 HydrophobicContact CD1-CE2 4.41Å; L87-F150 HydrophobicContact CD1-CZ 4Å; L109-F150 HydrophobicContact CD1-CD1 3.92Å; L109-F150 HydrophobicContact CD1-CE1 3.66Å; L109-F150 HydrophobicContact CD2-CE1 4.15Å; W119-F150 AromaticContact CD1-CD1 3.9Å; I139-F150 HydrophobicContact CG2-CD1 4.37Å; I139-F150 HydrophobicContact CG2-CE1 3.97Å; F141-F150 HydrophobicContact CE1-CB 4.06Å; F141-F150 HydrophobicContact CE1-CD2 4.46Å; F141-F150 HydrophobicContact CE1-CG 4.23Å; F141-F150 HydrophobicContact CE2-CB 3.66Å; F141-F150 AromaticContact CE2-CD1 3.6Å; F141-F150 HydrophobicContact CE2-CD1 3.6Å; F141-F150 HydrophobicContact CE2-CE1 4.37Å; F141-F150 AromaticContact CE2-CG 3.67Å; F141-F150 HydrophobicContact CE2-CG 3.67Å; F141-F150 HydrophobicContact CZ-CB 3.4Å; F141-F150 VanDerWaalsContact CZ-CB 3.4Å; F141-F150 AromaticContact CZ-CD1 3.6Å; F141-F150 HydrophobicContact CZ-CD1 3.6Å; F141-F150 AromaticContact CZ-CD2 3.72Å; F141-F150 HydrophobicContact CZ-CD2 3.72Å; F141-F150 HydrophobicContact CZ-CE1 4.25Å; F141-F150 HydrophobicContact CZ-CE2 4.35Å; F141-F150 AromaticContact CZ-CG 3.27Å; F141-F150 HydrophobicContact CZ-CG 3.27Å; N146-F150 PolarHBondContact O-N 3.44Å; A147-F150 PolarHBondContact O-N 2.81Å; Q148-F150 VanDerWaalsContact C-N 3.28Å; Q148-F150 PolarHBondContact O-N 3.15Å; F150-V152 PolarHBondContact O-N 2.81Å; F150-K153 PolarHBondContact O-N 3.37Å; F150-F154 HydrophobicContact CE1-CD2 4.28Å; F150-F154 HydrophobicContact CE2-CD2 4.39Å; F150-F154 AromaticContact CZ-CD2 3.82Å; F150-F154 HydrophobicContact CZ-CD2 3.82Å; F150-F154 VanDerWaalsContact O-CB 3.24Å; F150-F154 WeakPolarHBondContact O-CB 3.33Å; F150-F154 PolarHBondContact O-N 2.82Å
151	K	97.8	Very high	97.3	Very high	46 Å²	46	55 Å²	55	20%	0.2	27%	0.272	C	S	.	.	H	α-helix	trans	-59.4	-48.3	-179.5	176.9	169.5	175.2	65.2	0	112.2	L109 W119 A147 Q148 K153 F154 D155	L109-K151 HydrophobicContact CD1-CB 4.17Å; L109-K151 HydrophobicContact CD1-CG 4.25Å; L109-K151 PolarHBondContact O-NZ 3.44Å; W119-K151 HydrophobicContact CD2-CD 4.31Å; W119-K151 HydrophobicContact CE3-CD 4.22Å; W119-K151 HydrophobicContact CH2-CD 3.28Å; W119-K151 HydrophobicContact CZ2-CB 3.81Å; W119-K151 HydrophobicContact CZ2-CD 3.33Å; W119-K151 HydrophobicContact CZ2-CG 4.18Å; W119-K151 HydrophobicContact CZ3-CD 3.74Å; A147-K151 PolarHBondContact O-N 2.83Å; Q148-K151 PolarHBondContact O-N 2.79Å; Q148-K151 VanDerWaalsContact O-N 3.09Å; K151-K153 VanDerWaalsContact C-N 3.33Å; K151-K153 PolarHBondContact O-N 3.13Å; K151-F154 PolarHBondContact O-N 2.9Å; K151-D155 WeakPolarHBondContact CG-OD2 3.46Å; K151-D155 IonicContact NZ-OD2 3.77Å; K151-D155 PolarHBondContact NZ-OD2 2.89Å; K151-D155 WeakPolarHBondContact O-CB 3.4Å; K151-D155 VanDerWaalsContact O-CG 3.3Å; K151-D155 PolarHBondContact O-N 2.84Å
152	V	98.3	Very high	97.1	Very high	78 Å²	78	58.3 Å²	58.3	47%	0.473	29%	0.287	S	S	.	.	H	α-helix	trans	-56.5	-49.2	177	171.7	0	0	0	0	110.5	Q148 F150 F154 D155 E156	Q148-V152 WeakPolarHBondContact O-CG2 3.08Å; Q148-V152 PolarHBondContact O-N 2.9Å; F150-V152 PolarHBondContact O-N 2.81Å; V152-F154 VanDerWaalsContact C-N 3.34Å; V152-F154 PolarHBondContact O-N 3.44Å; V152-D155 PolarHBondContact O-N 2.96Å; V152-E156 WeakPolarHBondContact CG1-OE1 3.4Å; V152-E156 WeakPolarHBondContact O-CG 3.1Å; V152-E156 PolarHBondContact O-N 3.39Å
153	K	98.3	Very high	96.9	Very high	79 Å²	79	58.8 Å²	58.8	34%	0.343	28%	0.284	S	S	.	.	H	α-helix	trans	-65.9	-36.2	179.5	-76.5	-79	163.7	-159	0	113.3	F48 L76 K149 F150 K151 E156 C157	F48-K153 HydrophobicContact CB-CB 4.42Å; F48-K153 HydrophobicContact CD2-CB 3.84Å; F48-K153 HydrophobicContact CD2-CG 3.74Å; F48-K153 HydrophobicContact CE2-CB 4.31Å; F48-K153 HydrophobicContact CE2-CG 4.24Å; F48-K153 HydrophobicContact CG-CB 4.32Å; L76-K153 HydrophobicContact CD1-CB 4.46Å; K149-K153 WeakPolarHBondContact O-CB 3.22Å; K149-K153 WeakPolarHBondContact O-CG 3.48Å; K149-K153 PolarHBondContact O-N 3.12Å; K149-K153 VanDerWaalsContact O-N 3.12Å; F150-K153 PolarHBondContact O-N 3.37Å; K151-K153 VanDerWaalsContact C-N 3.33Å; K151-K153 PolarHBondContact O-N 3.13Å; K153-E156 WeakPolarHBondContact CD-OE2 3.38Å; K153-E156 WeakPolarHBondContact CE-OE2 3.3Å; K153-E156 IonicContact NZ-OE2 2.75Å; K153-E156 PolarHBondContact NZ-OE2 3.49Å; K153-C157 PolarHBondContact O-N 3.12Å; K153-C157 PolarHBondContact O-SG 3.23Å
154	F	98.3	Very high	96.5	Very high	0 Å²	0	59 Å²	59	0%	0	28%	0.283	C	S	.	.	H	α-helix	trans	-66.3	-45.8	175.8	-172.2	-81.3	0	0	0	111.4	L76 L87 I103 M107 L109 F150 K151 V152 C157 K158	L76-F154 HydrophobicContact CD1-CB 4.45Å; L76-F154 HydrophobicContact CD2-CD2 4.45Å; L87-F154 HydrophobicContact CD1-CE2 4.42Å; I103-F154 HydrophobicContact CD1-CD2 4.08Å; I103-F154 HydrophobicContact CD1-CE2 3.93Å; I103-F154 HydrophobicContact CD1-CZ 4.44Å; I103-F154 HydrophobicContact CG1-CE2 4.07Å; I103-F154 HydrophobicContact CG1-CZ 4.35Å; I103-F154 HydrophobicContact CG2-CE1 4.39Å; I103-F154 HydrophobicContact CG2-CZ 4.13Å; M107-F154 HydrophobicContact CB-CE1 4.47Å; M107-F154 HydrophobicContact CB-CZ 4.36Å; M107-F154 HydrophobicContact CG-CE1 4.35Å; M107-F154 HydrophobicContact CG-CZ 3.93Å; M107-F154 HydrophobicContact SD-CE2 4.38Å; M107-F154 HydrophobicContact SD-CZ 3.61Å; L109-F154 HydrophobicContact CD1-CB 3.67Å; L109-F154 HydrophobicContact CD1-CD1 3.71Å; L109-F154 HydrophobicContact CD1-CD2 4.23Å; L109-F154 HydrophobicContact CD1-CE1 4.44Å; L109-F154 HydrophobicContact CD1-CG 3.6Å; L109-F154 HydrophobicContact CD2-CD1 4.36Å; L109-F154 HydrophobicContact CD2-CE1 4.32Å; L109-F154 HydrophobicContact CD2-CE2 4.45Å; L109-F154 HydrophobicContact CD2-CG 4.47Å; L109-F154 HydrophobicContact CD2-CZ 4.36Å; L109-F154 HydrophobicContact CG-CD1 3.72Å; L109-F154 HydrophobicContact CG-CE1 3.99Å; L109-F154 HydrophobicContact CG-CG 4.04Å; F150-F154 HydrophobicContact CE1-CD2 4.28Å; F150-F154 HydrophobicContact CE2-CD2 4.39Å; F150-F154 AromaticContact CZ-CD2 3.82Å; F150-F154 HydrophobicContact CZ-CD2 3.82Å; F150-F154 VanDerWaalsContact O-CB 3.24Å; F150-F154 WeakPolarHBondContact O-CB 3.33Å; F150-F154 PolarHBondContact O-N 2.82Å; K151-F154 PolarHBondContact O-N 2.9Å; V152-F154 VanDerWaalsContact C-N 3.34Å; V152-F154 PolarHBondContact O-N 3.44Å; F154-C157 WeakPolarHBondContact O-CB 3.14Å; F154-C157 PolarHBondContact O-N 2.87Å; F154-K158 WeakPolarHBondContact O-CB 3.13Å; F154-K158 PolarHBondContact O-N 2.79Å
155	D	97.6	Very high	95.9	Very high	49 Å²	49	61.9 Å²	61.9	26%	0.262	30%	0.297	S	S	.	.	H	α-helix	trans	-66.5	-38.2	178.6	-68.5	-26	0	0	0	110.8	K151 V152 K158 E159	K151-D155 WeakPolarHBondContact CG-OD2 3.46Å; K151-D155 IonicContact NZ-OD2 3.77Å; K151-D155 PolarHBondContact NZ-OD2 2.89Å; K151-D155 WeakPolarHBondContact O-CB 3.4Å; K151-D155 VanDerWaalsContact O-CG 3.3Å; K151-D155 PolarHBondContact O-N 2.84Å; V152-D155 PolarHBondContact O-N 2.96Å; D155-K158 PolarHBondContact O-N 3.19Å; D155-E159 WeakPolarHBondContact O-CG 3.06Å; D155-E159 PolarHBondContact O-N 2.67Å
156	E	97.2	Very high	95.2	Very high	96 Å²	96	61.8 Å²	61.8	45%	0.449	30%	0.296	S	S	.	.	H	α-helix	trans	-56.7	-49.3	169.5	-76.4	171.5	-168.2	0	0	112	V152 K153 K158 E159 E160	V152-E156 WeakPolarHBondContact CG1-OE1 3.4Å; V152-E156 WeakPolarHBondContact O-CG 3.1Å; V152-E156 PolarHBondContact O-N 3.39Å; K153-E156 WeakPolarHBondContact CD-OE2 3.38Å; K153-E156 WeakPolarHBondContact CE-OE2 3.3Å; K153-E156 IonicContact NZ-OE2 2.75Å; K153-E156 PolarHBondContact NZ-OE2 3.49Å; E156-K158 VanDerWaalsContact C-N 3.34Å; E156-K158 PolarHBondContact O-N 2.83Å; E156-E159 PolarHBondContact O-N 3.38Å; E156-E160 PolarHBondContact O-N 3.33Å
157	C	96.9	Very high	93.8	Very high	4 Å²	4	63.6 Å²	63.6	3%	0.027	32%	0.322	C	S	.	.	H	α-helix	trans	-62.3	-41.8	178.6	-67.9	0	0	0	0	111.6	I85 I103 K153 F154 E160 V161	I85-C157 HydrophobicContact CD1-CB 3.84Å; I85-C157 HydrophobicContact CG2-CB 4.05Å; I103-C157 HydrophobicContact CD1-CB 3.74Å; K153-C157 PolarHBondContact O-N 3.12Å; K153-C157 PolarHBondContact O-SG 3.23Å; F154-C157 WeakPolarHBondContact O-CB 3.14Å; F154-C157 PolarHBondContact O-N 2.87Å; C157-E160 PolarHBondContact O-N 3.26Å; C157-V161 WeakPolarHBondContact O-CG2 3.45Å; C157-V161 PolarHBondContact O-N 2.87Å
158	K	95.8	Very high	92	Very high	36 Å²	36	67.2 Å²	67.2	16%	0.157	35%	0.347	C	S	.	.	H	α-helix	trans	-60.5	-46.3	177.6	178.1	-169.1	173	177.5	0	111.7	I103 P105 M107 F154 D155 E156 E160 V161 K162	I103-K158 HydrophobicContact CG2-CB 4.12Å; P105-K158 WeakPolarHBondContact O-CE 3.2Å; M107-K158 VanDerWaalsContact O-CD 3.31Å; M107-K158 WeakPolarHBondContact O-CD 3.27Å; M107-K158 WeakPolarHBondContact O-CE 2.95Å; M107-K158 PolarHBondContact O-NZ 3.5Å; F154-K158 WeakPolarHBondContact O-CB 3.13Å; F154-K158 PolarHBondContact O-N 2.79Å; D155-K158 PolarHBondContact O-N 3.19Å; E156-K158 VanDerWaalsContact C-N 3.34Å; E156-K158 PolarHBondContact O-N 2.83Å; K158-E160 VanDerWaalsContact C-N 3.32Å; K158-V161 PolarHBondContact O-N 3.5Å; K158-K162 WeakPolarHBondContact O-CB 3.27Å; K158-K162 PolarHBondContact O-N 3.49Å
159	E	95.5	Very high	89.9	Confident	84 Å²	84	65.9 Å²	65.9	39%	0.393	36%	0.357	S	S	.	.	H	α-helix	trans	-66.4	-34.8	177.3	-70.4	-56.3	126.8	0	0	112.1	D155 E156 K162 K163	D155-E159 WeakPolarHBondContact O-CG 3.06Å; D155-E159 PolarHBondContact O-N 2.67Å; E156-E159 PolarHBondContact O-N 3.38Å; E159-K162 PolarHBondContact O-N 3.29Å; E159-K163 VanDerWaalsContact O-CG 3.32Å; E159-K163 WeakPolarHBondContact O-CG 3.39Å; E159-K163 PolarHBondContact O-N 2.89Å
160	E	94.9	Very high	87.2	Confident	67 Å²	67	65.8 Å²	65.8	31%	0.313	36%	0.362	S	S	.	.	H	α-helix	trans	-64.7	-45.2	173.6	-175.9	166	-169.6	0	0	112.2	K78 I85 E156 C157 K158 K162 K163 Q164	K78-E160 IonicContact NZ-OE1 2.63Å; K78-E160 PolarHBondContact NZ-OE1 3.41Å; I85-E160 HydrophobicContact CD1-CB 4.36Å; I85-E160 HydrophobicContact CD1-CG 4.45Å; E156-E160 PolarHBondContact O-N 3.33Å; C157-E160 PolarHBondContact O-N 3.26Å; K158-E160 VanDerWaalsContact C-N 3.32Å; E160-K162 VanDerWaalsContact C-N 3.32Å; E160-K162 PolarHBondContact O-N 3.44Å; E160-K163 PolarHBondContact O-N 3.32Å; E160-Q164 WeakPolarHBondContact O-CG 3.3Å; E160-Q164 PolarHBondContact O-N 2.85Å
161	V	94.4	Very high	84.6	Confident	17 Å²	17	71 Å²	71	10%	0.103	40%	0.395	C	S	.	.	H	α-helix	trans	-62.2	-41.4	174.9	175.4	0	0	0	0	110.7	I85 P105 C157 K158 K163 Q164 V165	I85-V161 HydrophobicContact CB-CG2 3.97Å; I85-V161 HydrophobicContact CD1-CG2 4.02Å; I85-V161 HydrophobicContact CG1-CG2 3.93Å; P105-V161 HydrophobicContact CG-CG1 3.97Å; C157-V161 WeakPolarHBondContact O-CG2 3.45Å; C157-V161 PolarHBondContact O-N 2.87Å; K158-V161 PolarHBondContact O-N 3.5Å; V161-K163 PolarHBondContact O-N 3.24Å; V161-Q164 PolarHBondContact O-N 2.76Å; V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 WeakPolarHBondContact O-CG2 3.26Å; V161-V165 PolarHBondContact O-N 2.9Å
162	K	93.8	Very high	82.2	Confident	76 Å²	76	74.1 Å²	74.1	33%	0.33	41%	0.413	S	S	.	.	H	α-helix	trans	-59.1	-48	177.1	-174.5	179.4	171.8	-172.9	0	111.8	P105 K158 E159 E160 Q164 V165 E166	P105-K162 HydrophobicContact CB-CB 4.02Å; P105-K162 HydrophobicContact CB-CG 4.25Å; P105-K162 HydrophobicContact CG-CB 4.25Å; K158-K162 WeakPolarHBondContact O-CB 3.27Å; K158-K162 PolarHBondContact O-N 3.49Å; E159-K162 PolarHBondContact O-N 3.29Å; E160-K162 VanDerWaalsContact C-N 3.32Å; E160-K162 PolarHBondContact O-N 3.44Å; K162-Q164 VanDerWaalsContact C-N 3.29Å; K162-Q164 PolarHBondContact O-N 3.44Å; K162-V165 PolarHBondContact O-N 3.04Å; K162-E166 WeakPolarHBondContact CE-OE1 3.49Å; K162-E166 WeakPolarHBondContact O-CG 3.34Å; K162-E166 PolarHBondContact O-N 2.83Å
163	K	92.3	Very high	80	Confident	143 Å²	143	74.4 Å²	74.4	62%	0.622	42%	0.419	S	S	*	.	H	α-helix	trans	-60.9	-37.6	176.7	-72.5	171	-175	175.2	0	112.4	E159 E160 V161 G167	E159-K163 VanDerWaalsContact O-CG 3.32Å; E159-K163 WeakPolarHBondContact O-CG 3.39Å; E159-K163 PolarHBondContact O-N 2.89Å; E160-K163 PolarHBondContact O-N 3.32Å; V161-K163 PolarHBondContact O-N 3.24Å; K163-G167 PolarHBondContact O-N 3.47Å
164	Q	88.8	Confident	77.5	Confident	63 Å²	63	74.3 Å²	74.3	29%	0.294	43%	0.432	S	S	.	.	H	α-helix	trans	-64.4	-44.9	175.5	-74.4	-178.6	21.9	0	0	111.6	G83 E160 V161 K162 G167 S168	G83-Q164 VanDerWaalsContact C-OE1 3.28Å; G83-Q164 PolarHBondContact O-NE2 3.4Å; G83-Q164 PolarHBondContact O-OE1 3.19Å; E160-Q164 WeakPolarHBondContact O-CG 3.3Å; E160-Q164 PolarHBondContact O-N 2.85Å; V161-Q164 PolarHBondContact O-N 2.76Å; K162-Q164 VanDerWaalsContact C-N 3.29Å; K162-Q164 PolarHBondContact O-N 3.44Å; Q164-G167 PolarHBondContact O-N 3.28Å; Q164-S168 WeakPolarHBondContact O-CB 3.39Å; Q164-S168 PolarHBondContact O-N 3.02Å; Q164-S168 PolarHBondContact O-OG 3.34Å; Q164-S168 VanDerWaalsContact O-OG 3.05Å
165	V	85.8	Confident	75.1	Confident	90 Å²	90	79.5 Å²	79.5	55%	0.545	46%	0.46	S	S	.	.	H	α-helix	trans	-65.6	-39.1	179.2	174.7	0	0	0	0	112	V161 K162 S168	V161-V165 HydrophobicContact CG1-CG2 4.46Å; V161-V165 WeakPolarHBondContact O-CG2 3.26Å; V161-V165 PolarHBondContact O-N 2.9Å; K162-V165 PolarHBondContact O-N 3.04Å; V165-S168 PolarHBondContact O-OG 2.87Å
166	E	83.6	Confident	72.7	Confident	134 Å²	134	84.2 Å²	84.2	63%	0.626	48%	0.479	S	S	*	.	H	α-helix	trans	-73.1	-35.8	177.2	-69.6	173.8	176	0	0	112.4	K162	K162-E166 WeakPolarHBondContact CE-OE1 3.49Å; K162-E166 WeakPolarHBondContact O-CG 3.34Å; K162-E166 PolarHBondContact O-N 2.83Å
167	G	68.5	Low	70.8	Confident	68 Å²	68	84.2 Å²	84.2	70%	0.701	49%	0.485	S	S	*	.	H	α-helix	trans	-79.1	-24.2	178.5	0	0	0	0	0	114.3	K163 Q164 G169	K163-G167 PolarHBondContact O-N 3.47Å; Q164-G167 PolarHBondContact O-N 3.28Å; G167-G169 PolarHBondContact O-N 2.89Å
168	S	60.4	Low	68.7	Low	77 Å²	77	86.6 Å²	86.6	54%	0.538	51%	0.505	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.7	32.9	179.9	75.1	0	0	0	0	113	Q164 V165 N170	Q164-S168 WeakPolarHBondContact O-CB 3.39Å; Q164-S168 PolarHBondContact O-N 3.02Å; Q164-S168 PolarHBondContact O-OG 3.34Å; Q164-S168 VanDerWaalsContact O-OG 3.05Å; V165-S168 PolarHBondContact O-OG 2.87Å; S168-N170 VanDerWaalsContact C-N 3.31Å; S168-N170 WeakPolarHBondContact O-CB 3.2Å; S168-N170 PolarHBondContact O-N 3.32Å
169	G	52.7	Low	66.6	Low	60 Å²	60	91.4 Å²	91.4	62%	0.619	53%	0.528	S	S	*	.			trans	-36.6	87.2	-173.5	0	0	0	0	0	114.2	G167	G167-G169 PolarHBondContact O-N 2.89Å
170	N	40.9	Very low	64.9	Low	114 Å²	114	94.4 Å²	94.4	61%	0.61	54%	0.54	S	S	*	.			trans	-109.6	79.8	175.9	-163.4	58.6	0	0	0	105.8	S168 D172	S168-N170 VanDerWaalsContact C-N 3.31Å; S168-N170 WeakPolarHBondContact O-CB 3.2Å; S168-N170 PolarHBondContact O-N 3.32Å; N170-D172 PolarHBondContact O-N 2.82Å
171	T	44.8	Very low	62.9	Low	111 Å²	111	97.1 Å²	97.1	68%	0.681	56%	0.556	S	S	*	*	T	Hydrogen-bonded Turn	trans	-67.7	40.6	178.6	42.2	0	0	0	0	113.3
172	D	48.1	Very low	60.8	Low	110 Å²	110	104.1 Å²	104.1	59%	0.588	59%	0.587	S	S	*	*	T	Hydrogen-bonded Turn	trans	-123.3	-14.8	-179.1	-75	-29.2	0	0	0	114	N170	N170-D172 PolarHBondContact O-N 2.82Å
173	S	50.6	Low	58.7	Low	84 Å²	84	108.6 Å²	108.6	59%	0.587	61%	0.61	S	S	*	*	H	α-helix	trans	-96	-22.9	179	-64.9	0	0	0	0	114.2
174	A	46	Very low	56.6	Low	77 Å²	77	109.2 Å²	109.2	64%	0.636	62%	0.619	S	S	*	*	H	α-helix	trans	-74.8	-39.7	175.4	0	0	0	0	0	112.1	K176 V177 A178	A174-K176 VanDerWaalsContact C-N 3.32Å; A174-K176 PolarHBondContact O-N 2.98Å; A174-V177 PolarHBondContact O-N 2.71Å; A174-A178 PolarHBondContact O-N 2.72Å
175	N	47.8	Very low	54.5	Low	110 Å²	110	110.5 Å²	110.5	59%	0.588	63%	0.634	S	S	*	*	H	α-helix	trans	-66.4	-33	177.9	-79.9	-13.4	0	0	0	112.7	V177 A178 E179	N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.04Å; N175-A178 PolarHBondContact O-N 2.76Å; N175-E179 PolarHBondContact O-N 3.02Å
176	K	48.1	Very low	52.2	Low	148 Å²	148	112.5 Å²	112.5	64%	0.643	65%	0.647	S	S	*	*	H	α-helix	trans	-73.1	-25	-178.1	-138.1	172.1	-169.7	170.9	0	114	A174 K180	A174-K176 VanDerWaalsContact C-N 3.32Å; A174-K176 PolarHBondContact O-N 2.98Å; K176-K180 PolarHBondContact O-N 2.84Å
177	V	56.9	Low	49.8	Very low	95 Å²	95	115.1 Å²	115.1	58%	0.576	66%	0.656	S	S	*	*	H	α-helix	trans	-83.4	-35.1	175.4	179.9	0	0	0	0	110.5	A174 N175 L181	A174-V177 PolarHBondContact O-N 2.71Å; N175-V177 VanDerWaalsContact C-N 3.34Å; N175-V177 PolarHBondContact O-N 3.04Å; V177-L181 HydrophobicContact CG1-CD1 4.43Å; V177-L181 PolarHBondContact O-N 2.89Å; V177-L181 VanDerWaalsContact O-N 3.12Å
178	A	53.7	Low	48.1	Very low	55 Å²	55	119.7 Å²	119.7	46%	0.455	67%	0.665	S	S	.	*	H	α-helix	trans	-67.1	-45.6	173.8	0	0	0	0	0	112.1	A174 N175 K180 L181 E182	A174-A178 PolarHBondContact O-N 2.72Å; N175-A178 PolarHBondContact O-N 2.76Å; A178-K180 VanDerWaalsContact C-N 3.31Å; A178-K180 PolarHBondContact O-N 2.96Å; A178-L181 PolarHBondContact O-N 3.28Å; A178-L181 VanDerWaalsContact O-N 3.12Å; A178-E182 PolarHBondContact O-N 3.37Å; A178-E182 VanDerWaalsContact O-N 3.13Å
179	E	51.8	Low	46.8	Very low	136 Å²	136	125.1 Å²	125.1	64%	0.636	68%	0.678	S	S	*	*	H	α-helix	trans	-61.5	-37.4	175.8	-79.4	-178.4	152.7	0	0	112.4	N175 E182 E183	N175-E179 PolarHBondContact O-N 3.02Å; E179-E182 PolarHBondContact O-N 3.34Å; E179-E183 PolarHBondContact O-N 3.04Å
180	K	58.3	Low	45.9	Very low	147 Å²	147	126.7 Å²	126.7	64%	0.639	69%	0.685	S	S	*	*	H	α-helix	trans	-71.4	-26	175.6	-99.3	-176.3	173.3	-175.5	0	114	K176 A178	K176-K180 PolarHBondContact O-N 2.84Å; A178-K180 VanDerWaalsContact C-N 3.31Å; A178-K180 PolarHBondContact O-N 2.96Å
181	L	52.7	Low	45.3	Very low	124 Å²	124	125.9 Å²	125.9	65%	0.649	69%	0.689	S	S	*	*	H	α-helix	trans	-76.9	-33.4	175.6	-116.9	86.9	0	0	0	111.6	V177 A178	V177-L181 HydrophobicContact CG1-CD1 4.43Å; V177-L181 PolarHBondContact O-N 2.89Å; V177-L181 VanDerWaalsContact O-N 3.12Å; A178-L181 PolarHBondContact O-N 3.28Å; A178-L181 VanDerWaalsContact O-N 3.12Å
182	E	50.4	Low	44.6	Very low	164 Å²	164	130 Å²	130	77%	0.766	70%	0.7	S	S	*	*	H	α-helix	trans	-74.8	-30.7	177.5	-72	-164.7	164.9	0	0	113.1	A178 E179 L184 S185	A178-E182 PolarHBondContact O-N 3.37Å; A178-E182 VanDerWaalsContact O-N 3.13Å; E179-E182 PolarHBondContact O-N 3.34Å; E182-L184 PolarHBondContact O-N 3.35Å; E182-S185 PolarHBondContact O-N 3.32Å
183	E	50.2	Low	43.6	Very low	171 Å²	171	128.4 Å²	128.4	80%	0.799	71%	0.71	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-19.8	173.5	-85.5	-171.3	152.9	0	0	114.1	E179	E179-E183 PolarHBondContact O-N 3.04Å
184	L	49.4	Very low	42.4	Very low	155 Å²	155	134.4 Å²	134.4	81%	0.812	73%	0.725	S	S	*	*	T	Hydrogen-bonded Turn	trans	-92.4	-2.5	-177.5	-84.7	158.1	0	0	0	114	E182	E182-L184 PolarHBondContact O-N 3.35Å
185	S	44.5	Very low	41.5	Very low	90 Å²	90	140.3 Å²	140.3	63%	0.629	74%	0.737	S	S	*	*	S	Bend	trans	-135.6	79.5	-176.8	-159.3	0	0	0	0	111.1	E182	E182-S185 PolarHBondContact O-N 3.32Å
186	V	36.9	Very low	40.5	Very low	132 Å²	132	143.1 Å²	143.1	80%	0.8	75%	0.746	S	S	*	*				-174.1	112.6	125.1	-162.9	0	0	0	0	108.9
187	K	34.1	Very low	39.5	Very low	190 Å²	190	143.5 Å²	143.5	83%	0.826	75%	0.75	S	S	*	*			trans	-154	57.1	148.5	-135.4	176.7	-168.7	173.2	0	112.9
188	D	32.5	Very low	38.1	Very low	164 Å²	164	146.8 Å²	146.8	88%	0.877	77%	0.765	S	S	*	*			trans	-96.2	102.6	153	-76.7	-41.3	0	0	0	108.6
189	K	31.7	Very low	36.9	Very low	191 Å²	191	152.5 Å²	152.5	83%	0.83	78%	0.779	S	S	*	*			trans	-89.2	111.7	164.4	-86.1	-165.1	173.2	-171.8	0	108.8
190	A	34.7	Very low	35.7	Very low	92 Å²	92	154.4 Å²	154.4	76%	0.76	79%	0.785	S	S	*	*			trans	-64.6	153.2	147.9	0	0	0	0	0	108.7
191	S	29.2	Very low	34.4	Very low	98 Å²	98	155.2 Å²	155.2	69%	0.685	79%	0.791	S	S	*	*			cis	-174.6	149.1	42.2	48.6	0	0	0	0	112.3
192	E	29.7	Very low	33.1	Very low	198 Å²	198	155 Å²	155	93%	0.925	80%	0.795	S	S	*	*			trans	49.4	141.3	141.2	-62.6	179.5	135.9	0	0	122.4
193	G	25.8	Very low	32.2	Very low	76 Å²	76	155.3 Å²	155.3	78%	0.784	80%	0.797	S	S	*	*			cis	175	-179.5	5	0	0	0	0	0	114.1
194	K	26.2	Very low	31.2	Very low	210 Å²	210	156 Å²	156	91%	0.913	80%	0.797	S	S	*	*			trans	84.2	111.7	167.8	-89.1	-178.4	175.4	179.2	0	122.3
195	K	26.1	Very low	30.2	Very low	201 Å²	201	154.6 Å²	154.6	87%	0.874	79%	0.79	S	S	*	*				-167	144.2	105.8	-103.9	-179.2	179.6	-177.3	0	113.5
196	E	27.5	Very low	29.4	Very low	169 Å²	169	158 Å²	158	79%	0.79	80%	0.796	S	S	*	*			trans	-45.4	170.5	170.1	-69.1	156.9	147.3	0	0	114.4
197	E	27.6	Very low	29.2	Very low	156 Å²	156	158.8 Å²	158.8	73%	0.729	80%	0.796	S	S	*	*			cis	-169.7	142.1	-6.7	-112.5	-176.7	148.1	0	0	102.1
198	D	27.8	Very low	29.1	Very low	164 Å²	164	159.1 Å²	159.1	88%	0.877	80%	0.801	S	S	*	*				-167.2	138.5	123	-139.3	-24.4	0	0	0	111.5
199	K	28	Very low	29.2	Very low	175 Å²	175	161.1 Å²	161.1	76%	0.761	80%	0.801	S	S	*	*			trans	-89.6	140	-176.3	-76.5	165.8	172.9	160.6	0	110
200	K	27.3	Very low	29.5	Very low	176 Å²	176	161.5 Å²	161.5	77%	0.765	80%	0.803	S	S	*	*				-162.8	121.1	124.4	-125.8	-176.3	174.2	-167	0	114.9
201	E	29.4	Very low	29.4	Very low	163 Å²	163	166 Å²	166	76%	0.762	81%	0.809	S	S	*	*			trans	76.1	117.7	141.2	-82.2	162.2	-175.9	0	0	121.5
202	T	26	Very low	29.9	Very low	120 Å²	120	168.5 Å²	168.5	74%	0.736	82%	0.819	S	S	*	*			trans	-82.6	139.8	-174.6	-30.1	0	0	0	0	112.5
203	E	32.1	Very low	30.4	Very low	170 Å²	170	169.2 Å²	169.2	79%	0.794	82%	0.819	S	S	*	*			trans	13.2	141.2	141.2	-51.2	176.3	151.1	0	0	120.1
204	K	28.7	Very low	31.1	Very low	187 Å²	187	169.7 Å²	169.7	81%	0.813	82%	0.816	S	S	*	*				-170.6	151.4	105.6	-112.1	-177.3	-177.1	-171	0	115.4
205	N	27.8	Very low	31.9	Very low	124 Å²	124	168.1 Å²	168.1	66%	0.663	82%	0.817	S	S	*	*			trans	92.6	139.7	154.1	-64.9	1.1	0	0	0	116.4
206	E	27.5	Very low	32.9	Very low	161 Å²	161	168 Å²	168	75%	0.752	82%	0.817	S	S	*	*			cis	-172.9	166.2	-19.4	-124.5	169.1	171.5	0	0	103.8
207	D	32.9	Very low	33.6	Very low	150 Å²	150	171.4 Å²	171.4	80%	0.802	84%	0.84	S	S	*	*			trans	-27	133.4	164.9	-78.5	-75.2	0	0	0	116.8
208	E	33.2	Very low	33.9	Very low	197 Å²	197	172.2 Å²	172.2	92%	0.921	85%	0.846	S	S	*	*				-172.4	109.1	130	-109.3	176.1	177.3	0	0	111.9
209	K	34.9	Very low	34.3	Very low	205 Å²	205	172.6 Å²	172.6	89%	0.891	84%	0.844	S	S	*	*			trans	-137.3	91.1	162.3	-150.2	-175.8	-162.1	-180	0	108.3
210	K	37.4	Very low	34.6	Very low	199 Å²	199	172.4 Å²	172.4	87%	0.865	85%	0.849	S	S	*	*			trans	177.2	106.4	153.3	-101.3	164.8	-172.2	-178.1	0	109.6
211	E	33.3	Very low	35.1	Very low	188 Å²	188	172.2 Å²	172.2	88%	0.879	85%	0.854	S	S	*	*			trans	162	102.3	137.7	-94	-176.5	166.8	0	0	109.8
212	V	37.8	Very low	35.4	Very low	149 Å²	149	172.8 Å²	172.8	90%	0.903	86%	0.859	S	S	*	*			trans	-143.5	84.6	142.1	-171.5	0	0	0	0	107.6
213	K	41.1	Very low	36	Very low	213 Å²	213	176.3 Å²	176.3	93%	0.926	87%	0.868	S	S	*	*			trans	-139.2	88.9	152.2	-96.7	-166.1	179.2	-179.2	0	106.9
214	A	40.8	Very low	36.3	Very low	86 Å²	86	176.8 Å²	176.8	71%	0.711	87%	0.873	S	S	*	*			trans	-179.8	106.5	146.7	0	0	0	0	0	107.4
215	D	42.4	Very low	36.9	Very low	177 Å²	177	176 Å²	176	95%	0.947	88%	0.877	S	S	*	*			trans	-137.7	121	134.5	-107.7	-37.4	0	0	0	108.4
216	K	47.4	Very low	37.7	Very low	200 Å²	200	180.3 Å²	180.3	87%	0.87	90%	0.895	S	S	*	*			trans	-123	104.2	179.8	-163.3	-171.4	-162.8	-177	0	103.9
217	N	43.2	Very low	38.6	Very low	239 Å²	239	182.1 Å²	182.1	100%	1.278	91%	0.908	S	S	*	*			trans	-158.3	0	141.7	-133.1	23.8	0	0	0	109.6

Retrieved 217 of 217 residues in 101.8 ms (Link to these results)

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