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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 (By similarity). Induces a conformation change in the complex formed by XPO1 and RAN that triggers the release of the nuclear export signal of cargo proteins¹. Promotes the disassembly of the complex formed by RAN and importin beta. Promotes dissociation of RAN from a complex with KPNA2 and CSE1L (By similarity). Required for normal mitotic spindle assembly and normal progress through mitosis via its effect on RAN². Does not increase the RAN GTPase activity by itself, but increases GTP hydrolysis mediated by RANGAP1³. Inhibits RCC1-dependent exchange of RAN-bound GDP by GTP^4,5.

AlphaFold DB , UniProt , Accession P43487, Species HUMAN (Homo sapiens, Human), Gene RANBP1, Length 201 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	43.5	Very low	44.1	Very low	244 Å²	244	153.1 Å²	153.1	100%	1.202	85%	0.846	S	S	*	*				0	125.7	0	-88	177.9	166.8	0	0	107.8
2	A	44.5	Very low	44.3	Very low	96 Å²	96	151.6 Å²	151.6	79%	0.793	84%	0.836	S	S	*	*			trans	53	108.5	167.6	0	0	0	0	0	118
3	A	43.3	Very low	44	Very low	104 Å²	104	148.2 Å²	148.2	86%	0.86	82%	0.822	S	S	*	*				63.1	129.2	66.5	0	0	0	0	0	112.8
4	A	47.2	Very low	44	Very low	105 Å²	105	145.3 Å²	145.3	87%	0.868	82%	0.817	S	S	*	*			cis	-155	160.2	10.7	0	0	0	0	0	111
5	K	45.9	Very low	43.8	Very low	211 Å²	211	144.9 Å²	144.9	92%	0.917	82%	0.82	S	S	*	*			trans	-87.7	147.4	-173.6	-92.3	175.8	168.5	-177.5	0	113.7
6	D	45.4	Very low	43.6	Very low	148 Å²	148	145.9 Å²	145.9	79%	0.791	82%	0.816	S	S	*	*			trans	-43.4	145.7	151.1	-99.8	-43.5	0	0	0	113.8
7	T	44.6	Very low	43.9	Very low	119 Å²	119	146.5 Å²	146.5	73%	0.73	82%	0.817	S	S	*	*				160.9	119.4	117	42.9	0	0	0	0	110.1
8	H	42.6	Very low	43.7	Very low	195 Å²	195	144.3 Å²	144.3	90%	0.903	81%	0.808	S	S	*	*			trans	-108.2	96.4	165.5	-173	-1.8	0	0	0	108.5
9	E	43.9	Very low	43.9	Very low	143 Å²	143	143.4 Å²	143.4	67%	0.668	80%	0.801	S	S	*	*			trans	-82.9	150.1	159.2	-78.5	175.6	167.1	0	0	106.9
10	D	44.5	Very low	44.1	Very low	140 Å²	140	145.2 Å²	145.2	75%	0.749	80%	0.803	S	S	*	*			cis	-155.4	145.2	10.2	-85.2	-45	0	0	0	108.4
11	H	39.5	Very low	44.9	Very low	179 Å²	179	143.3 Å²	143.3	83%	0.829	80%	0.8	S	S	*	*			trans	-102.8	90.6	169.3	177.5	-65.6	0	0	0	107.5
12	D	46.9	Very low	45.8	Very low	135 Å²	135	139.6 Å²	139.6	72%	0.722	79%	0.785	S	S	*	*			trans	-103.4	110.6	177.6	-149.2	-6.3	0	0	0	112.4
13	T	40.1	Very low	47.3	Very low	107 Å²	107	142.7 Å²	142.7	66%	0.656	78%	0.783	S	S	*	*			trans	-36.5	126.4	158.4	21.1	0	0	0	0	114.4
14	S	44.2	Very low	49.2	Very low	108 Å²	108	144 Å²	144	76%	0.755	78%	0.775	S	S	*	*			trans	-148.1	83.6	156.7	28.3	0	0	0	0	110.1	E16	S14-E16 PolarHBondContact O-N 3.08Å
15	T	40.7	Very low	51	Low	140 Å²	140	141.8 Å²	141.8	86%	0.859	75%	0.752	S	S	*	*			trans	-71.1	90.4	158	29.7	0	0	0	0	109
16	E	41.3	Very low	52.9	Low	160 Å²	160	139.6 Å²	139.6	75%	0.748	75%	0.745	S	S	*	*			trans	-143.9	150.6	163.1	-77.6	-168.9	128.1	0	0	109	S14	S14-E16 PolarHBondContact O-N 3.08Å
17	N	48.6	Very low	55	Low	157 Å²	157	140.2 Å²	140.2	84%	0.84	74%	0.741	S	S	*	*			trans	92.5	73.8	-168.9	-48.6	-47.2	0	0	0	111.3
18	T	40.7	Very low	57	Low	107 Å²	107	143.2 Å²	143.2	66%	0.656	75%	0.747	S	S	*	*			cis	45.7	103.5	48.7	-0.8	0	0	0	0	112.8
19	D	47	Very low	59.1	Low	126 Å²	126	139.2 Å²	139.2	67%	0.674	74%	0.738	S	S	*	*			trans	72	108.6	150.2	-59.6	-23.6	0	0	0	119.2
20	E	48.7	Very low	61.3	Low	179 Å²	179	140.7 Å²	140.7	84%	0.836	75%	0.749	S	S	*	*				92.8	59.7	95.5	-74.1	-175.5	160.4	0	0	112.7
21	S	59	Low	63.3	Low	107 Å²	107	138.5 Å²	138.5	75%	0.748	74%	0.741	S	S	*	*			trans	-129.1	95	155.7	60	0	0	0	0	108.6	H23	S21-H23 PolarHBondContact O-N 3.49Å
22	N	63	Low	65.5	Low	166 Å²	166	135.4 Å²	135.4	89%	0.888	74%	0.739	S	S	*	*			trans	-65.2	93.3	165.3	-153.1	16.8	0	0	0	106.1	D24	N22-D24 VanDerWaalsContact C-N 3.31Å; N22-D24 PolarHBondContact O-N 3.36Å
23	H	75.3	Confident	67.4	Low	160 Å²	160	135.9 Å²	135.9	74%	0.741	74%	0.741	S	S	*	*			trans	-69.7	91.5	-179.7	-172.5	70.7	0	0	0	107.9	S21 P25	S21-H23 PolarHBondContact O-N 3.49Å; H23-P25 WeakPolarHBondContact NE2-CG 3.4Å; H23-P25 WeakPolarHBondContact O-CD 3.48Å
24	D	83.5	Confident	69.7	Low	132 Å²	132	136.1 Å²	136.1	71%	0.706	74%	0.744	S	S	*	*			trans	-111.3	86.7	173.9	-172.5	24.5	0	0	0	108.7	N22 Q26	N22-D24 VanDerWaalsContact C-N 3.31Å; N22-D24 PolarHBondContact O-N 3.36Å; D24-Q26 PolarHBondContact O-N 3.2Å
25	P	85.9	Confident	71.8	Confident	58 Å²	58	140.5 Å²	140.5	38%	0.377	75%	0.753	S	S	.	*			trans	-67.4	118.8	-179.9	-15.9	30.5	0	0	0	110.1	H23 F27	H23-P25 WeakPolarHBondContact NE2-CG 3.4Å; H23-P25 WeakPolarHBondContact O-CD 3.48Å; P25-F27 HydrophobicContact CB-CE2 3.78Å; P25-F27 HydrophobicContact CB-CZ 4Å; P25-F27 WeakPolarHBondContact O-CD2 3.44Å; P25-F27 WeakPolarHBondContact O-CE2 3.43Å
26	Q	86.1	Confident	74	Confident	166 Å²	166	141.4 Å²	141.4	78%	0.776	75%	0.747	S	S	*	*			trans	-80	124.2	173.3	-174.7	62.6	45.4	0	0	110.2	D24	D24-Q26 PolarHBondContact O-N 3.2Å
27	F	89.1	Confident	76.3	Confident	161 Å²	161	141 Å²	141	71%	0.706	75%	0.745	S	S	*	*			trans	-107.3	139.7	170.6	-60.4	-87	0	0	0	109.8	P25	P25-F27 HydrophobicContact CB-CE2 3.78Å; P25-F27 HydrophobicContact CB-CZ 4Å; P25-F27 WeakPolarHBondContact O-CD2 3.44Å; P25-F27 WeakPolarHBondContact O-CE2 3.43Å
28	E	85.8	Confident	78.1	Confident	181 Å²	181	141 Å²	141	85%	0.846	74%	0.743	S	S	*	*			trans	-71.8	133.7	170	-70.1	-170.5	172.1	0	0	109.7	I30	E28-I30 PolarHBondContact O-N 2.96Å
29	P	87.9	Confident	80.5	Confident	111 Å²	111	142 Å²	142	72%	0.721	74%	0.739	S	S	*	*			trans	-58.9	124.2	176	-23.4	33.3	0	0	0	111	V31	P29-V31 PolarHBondContact O-N 3.32Å
30	I	88.6	Confident	82.6	Confident	174 Å²	174	139.3 Å²	139.3	89%	0.892	73%	0.727	S	S	*	*	S	Bend	trans	-62.7	-28.7	175	-56.2	172.6	0	0	0	110.6	E28	E28-I30 PolarHBondContact O-N 2.96Å
31	V	88.3	Confident	84.7	Confident	95 Å²	95	137.1 Å²	137.1	58%	0.576	72%	0.72	S	S	*	*	S	Bend	trans	-137.3	130.7	-178.7	178.8	0	0	0	0	109.3	P29 L33	P29-V31 PolarHBondContact O-N 3.32Å; V31-L33 HydrophobicContact CG1-CD2 3.9Å; V31-L33 HydrophobicContact CG1-CG 4.35Å
32	S	85.3	Confident	86.4	Confident	114 Å²	114	133.1 Å²	133.1	80%	0.797	69%	0.69	S	S	*	*			trans	-88	112.3	165.4	-175.3	0	0	0	0	108.6
33	L	86.9	Confident	87.9	Confident	145 Å²	145	129.3 Å²	129.3	76%	0.759	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-85.1	130.7	174.1	-64.8	174.9	0	0	0	109.2	V31	V31-L33 HydrophobicContact CG1-CD2 3.9Å; V31-L33 HydrophobicContact CG1-CG 4.35Å
34	P	87.4	Confident	88.9	Confident	111 Å²	111	126.7 Å²	126.7	72%	0.721	66%	0.658	S	S	*	*	P	Polyproline II helix	trans	-64.1	148.2	173.2	28.6	-33.7	0	0	0	109.9	Q36	P34-Q36 PolarHBondContact O-N 2.96Å
35	E	88.9	Confident	89.5	Confident	201 Å²	201	121.5 Å²	121.5	94%	0.939	63%	0.629	S	S	*	*	P	Polyproline II helix	trans	-61.6	127.6	168.8	-172.3	173.2	-174.5	0	0	108.8
36	Q	86.9	Confident	90	Very high	159 Å²	159	123.9 Å²	123.9	74%	0.743	64%	0.635	S	S	*	*			trans	-116.6	130.7	-179.3	-172.5	178.1	-43.8	0	0	109.3	P34 I38	P34-Q36 PolarHBondContact O-N 2.96Å; Q36-I38 PolarHBondContact O-N 3.24Å
37	E	88.5	Confident	90.6	Very high	152 Å²	152	120.4 Å²	120.4	71%	0.71	62%	0.619	S	S	*	*			trans	-63.5	120.7	171.1	-168.9	-170.8	168.9	0	0	109.6	K39	E37-K39 WeakPolarHBondContact OE1-CE 3.43Å
38	I	87.1	Confident	91	Very high	156 Å²	156	115 Å²	115	80%	0.8	60%	0.598	S	S	*	*			trans	-95.7	113.3	-179.3	-56.9	175	0	0	0	108.6	Q36	Q36-I38 PolarHBondContact O-N 3.24Å
39	K	90.8	Very high	91.6	Very high	129 Å²	129	107.4 Å²	107.4	56%	0.561	56%	0.562	S	S	*	*			trans	-95.6	140.8	171.5	-62.5	-175.4	-179.1	-178.2	0	110.1	E37 L41	E37-K39 WeakPolarHBondContact OE1-CE 3.43Å; K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L41 HydrophobicContact CB-CD2 4.32Å
40	T	92.3	Very high	92.1	Very high	69 Å²	69	107 Å²	107	42%	0.423	55%	0.549	S	S	.	.			trans	-79.4	-22.9	177.5	63	0	0	0	0	112	E42 E43 R91	T40-E42 PolarHBondContact OG1-N 3.46Å; T40-E43 PolarHBondContact N-OE1 3.28Å; T40-E43 VanDerWaalsContact OG1-CD 3.28Å; T40-E43 PolarHBondContact OG1-OE1 3.33Å; T40-R91 PolarHBondContact O-NH2 3.29Å
41	L	93.1	Very high	92.5	Very high	133 Å²	133	100.2 Å²	100.2	70%	0.696	51%	0.514	S	S	*	.	S	Bend	trans	61.5	30.5	-169.9	-53	176.1	0	0	0	112.1	K39 E43 R87	K39-L41 VanDerWaalsContact C-N 3.33Å; K39-L41 HydrophobicContact CB-CD2 4.32Å; L41-E43 WeakPolarHBondContact CA-OE2 3.45Å; L41-E43 PolarHBondContact N-OE1 2.93Å; L41-E43 PolarHBondContact N-OE2 3.2Å; L41-R87 PolarHBondContact O-NH2 3.36Å
42	E	94.3	Very high	93	Very high	22 Å²	22	101.2 Å²	101.2	10%	0.103	51%	0.507	C	S	.	.			trans	-119.4	0.7	176.7	-58.9	171.8	-141.2	0	0	110.8	T40 D44 E45 K76 L78 L89 R91	T40-E42 PolarHBondContact OG1-N 3.46Å; E42-D44 VanDerWaalsContact C-N 3.34Å; E42-D44 PolarHBondContact O-N 3Å; E42-E45 PolarHBondContact O-N 3.01Å; E42-K76 IonicContact OE2-NZ 3.54Å; E42-K76 PolarHBondContact OE2-NZ 2.86Å; E42-L78 HydrophobicContact CB-CD1 4.32Å; E42-L78 HydrophobicContact CG-CD1 3.95Å; E42-L89 HydrophobicContact CG-CD2 3.7Å; E42-L89 WeakPolarHBondContact OE1-CD2 3.2Å; E42-R91 IonicContact OE1-CZ 3.6Å; E42-R91 VanDerWaalsContact OE1-CZ 3.29Å; E42-R91 IonicContact OE1-NE 3.14Å; E42-R91 PolarHBondContact OE1-NE 3.11Å; E42-R91 IonicContact OE1-NH2 2.74Å; E42-R91 PolarHBondContact OE1-NH2 3.36Å
43	E	93.9	Very high	93.6	Very high	86 Å²	86	96 Å²	96	40%	0.402	47%	0.471	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.4	-29.8	-170.5	-59.6	77.9	-167.2	0	0	113.2	T40 L41 E45 K81	T40-E43 PolarHBondContact N-OE1 3.28Å; T40-E43 VanDerWaalsContact OG1-CD 3.28Å; T40-E43 PolarHBondContact OG1-OE1 3.33Å; L41-E43 WeakPolarHBondContact CA-OE2 3.45Å; L41-E43 PolarHBondContact N-OE1 2.93Å; L41-E43 PolarHBondContact N-OE2 3.2Å; E43-E45 VanDerWaalsContact C-N 3.25Å; E43-E45 PolarHBondContact O-N 3.15Å; E43-K81 PolarHBondContact O-NZ 3.43Å
44	D	95.3	Very high	94.2	Very high	105 Å²	105	91.6 Å²	91.6	56%	0.561	45%	0.446	S	S	*	.	T	Hydrogen-bonded Turn	trans	-87.8	10	178.1	-63.8	-40.9	0	0	0	113.2	E42 K81	E42-D44 VanDerWaalsContact C-N 3.34Å; E42-D44 PolarHBondContact O-N 3Å; D44-K81 WeakPolarHBondContact O-CB 3.18Å; D44-K81 VanDerWaalsContact O-CG 3.27Å; D44-K81 WeakPolarHBondContact O-CG 3.45Å; D44-K81 PolarHBondContact O-N 2.9Å
45	E	97.2	Very high	94.7	Very high	23 Å²	23	86.3 Å²	86.3	11%	0.107	41%	0.411	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.7	151.2	-177.3	-54.4	-174.5	124.8	0	0	112.3	E42 E43 L78 K79 H80 R87	E42-E45 PolarHBondContact O-N 3.01Å; E43-E45 VanDerWaalsContact C-N 3.25Å; E43-E45 PolarHBondContact O-N 3.15Å; E45-L78 HydrophobicContact CB-CB 4.01Å; E45-L78 WeakPolarHBondContact OE2-CB 3.43Å; E45-L78 VanDerWaalsContact OE2-CD1 3.22Å; E45-L78 WeakPolarHBondContact OE2-CD1 3.45Å; E45-K79 CarbonylContact C-O 3.55Å; E45-K79 VanDerWaalsContact CA-O 3.23Å; E45-K79 WeakPolarHBondContact CA-O 3.16Å; E45-H80 HydrophobicContact CG-CB 4.38Å; E45-R87 VanDerWaalsContact CD-NE 3.25Å; E45-R87 WeakPolarHBondContact OE1-CD 3.32Å; E45-R87 IonicContact OE1-CZ 3.64Å; E45-R87 IonicContact OE1-NE 3.83Å; E45-R87 PolarHBondContact OE1-NE 3.4Å; E45-R87 IonicContact OE1-NH2 2.59Å; E45-R87 IonicContact OE2-CZ 2.87Å; E45-R87 IonicContact OE2-NE 3.29Å; E45-R87 PolarHBondContact OE2-NE 3.35Å; E45-R87 IonicContact OE2-NH2 2.65Å; E45-R87 PolarHBondContact OE2-NH2 3.15Å
46	E	97.1	Very high	95.1	Very high	108 Å²	108	78.2 Å²	78.2	51%	0.505	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.3	131.3	172.7	-176.6	-177.1	-177	0	0	109.7	L48 L78 K79	E46-L48 HydrophobicContact CG-CD2 4.21Å; E46-L48 PolarHBondContact O-N 3.01Å; E46-L78 CarbonylContact O-C 3.56Å; E46-L78 WeakPolarHBondContact O-CA 3.18Å; E46-K79 PolarHBondContact N-O 2.68Å; E46-K79 PolarHBondContact O-N 3.36Å
47	E	98	Very high	95.6	Very high	93 Å²	93	72.8 Å²	72.8	44%	0.435	35%	0.346	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.2	102.2	175.7	-172.3	177.3	103.5	0	0	110.3	K50 K76 L78	E47-K50 HydrophobicContact CG-CB 4.16Å; E47-K50 WeakPolarHBondContact OE1-CB 3.43Å; E47-K50 VanDerWaalsContact OE1-CD 3.29Å; E47-K50 WeakPolarHBondContact OE1-CD 3.27Å; E47-K76 WeakPolarHBondContact OE2-CD 3.34Å; E47-K76 VanDerWaalsContact OE2-CE 3.32Å; E47-K76 WeakPolarHBondContact OE2-CE 3.18Å; E47-K76 IonicContact OE2-NZ 2.67Å; E47-L78 HydrophobicContact CB-CD2 4.05Å; E47-L78 HydrophobicContact CG-CD2 4.25Å
48	L	97.7	Very high	96	Very high	49 Å²	49	68.3 Å²	68.3	26%	0.257	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	-26.6	179.2	-58.8	-176.6	0	0	0	112.7	E46 L77 K79 I86	E46-L48 HydrophobicContact CG-CD2 4.21Å; E46-L48 PolarHBondContact O-N 3.01Å; L48-L77 HydrophobicContact CB-CB 4.37Å; L48-L77 PolarHBondContact N-O 3.07Å; L48-K79 HydrophobicContact CD1-CB 3.82Å; L48-K79 HydrophobicContact CD1-CD 4.3Å; L48-K79 HydrophobicContact CD2-CB 4.3Å; L48-K79 HydrophobicContact CD2-CD 4.46Å; L48-K79 HydrophobicContact CG-CB 4.01Å; L48-I86 HydrophobicContact CD1-CD1 4.05Å; L48-I86 HydrophobicContact CD1-CG1 4.41Å; L48-I86 HydrophobicContact CD1-CG2 4.4Å
49	F	98.2	Very high	96.3	Very high	20 Å²	20	60.9 Å²	60.9	9%	0.088	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157	142.2	-179.1	-179.9	-95.6	0	0	0	109.7	M51 V75 K76 L77 K150 F151 K154	F49-M51 HydrophobicContact CD1-CB 4.39Å; F49-M51 HydrophobicContact CE1-CB 3.4Å; F49-M51 VanDerWaalsContact CE1-CB 3.4Å; F49-M51 HydrophobicContact CE2-CB 4.41Å; F49-M51 HydrophobicContact CE2-CE 3.72Å; F49-M51 HydrophobicContact CE2-SD 4.5Å; F49-M51 HydrophobicContact CZ-CB 3.45Å; F49-M51 VanDerWaalsContact CZ-CB 3.45Å; F49-M51 HydrophobicContact CZ-CE 3.53Å; F49-M51 HydrophobicContact CZ-CG 4.2Å; F49-M51 HydrophobicContact CZ-SD 3.73Å; F49-V75 HydrophobicContact CE1-CG1 4.26Å; F49-K76 CarbonylContact O-C 3.53Å; F49-K76 VanDerWaalsContact O-CA 3.23Å; F49-K76 WeakPolarHBondContact O-CA 3.32Å; F49-L77 HydrophobicContact CB-CB 4.06Å; F49-L77 HydrophobicContact CB-CD1 4.14Å; F49-L77 HydrophobicContact CB-CG 4.02Å; F49-L77 HydrophobicContact CD1-CG 4.45Å; F49-L77 PolarHBondContact O-N 3.36Å; F49-K150 HydrophobicContact CE2-CB 4.34Å; F49-F151 HydrophobicContact CD1-CD2 4.08Å; F49-F151 HydrophobicContact CE1-CB 4.12Å; F49-F151 AromaticContact CE1-CD2 3.59Å; F49-F151 HydrophobicContact CE1-CD2 3.59Å; F49-F151 HydrophobicContact CE1-CG 4.35Å; F49-F151 HydrophobicContact CZ-CB 3.8Å; F49-F151 HydrophobicContact CZ-CD2 4.16Å; F49-K154 HydrophobicContact CB-CB 4.29Å; F49-K154 HydrophobicContact CB-CG 4.42Å; F49-K154 HydrophobicContact CD2-CB 4.01Å; F49-K154 HydrophobicContact CD2-CG 3.73Å; F49-K154 HydrophobicContact CE2-CG 4.38Å; F49-K154 HydrophobicContact CG-CB 4.28Å; F49-K154 HydrophobicContact CG-CG 4.39Å
50	K	98.2	Very high	96.4	Very high	102 Å²	102	58.8 Å²	58.8	44%	0.443	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	129.8	170.7	177.2	179.1	177.1	-178.2	0	110.3	E47 D74 V75 K76	E47-K50 HydrophobicContact CG-CB 4.16Å; E47-K50 WeakPolarHBondContact OE1-CB 3.43Å; E47-K50 VanDerWaalsContact OE1-CD 3.29Å; E47-K50 WeakPolarHBondContact OE1-CD 3.27Å; K50-D74 WeakPolarHBondContact CE-OD2 3.2Å; K50-D74 HydrophobicContact CG-CB 4.22Å; K50-D74 IonicContact NZ-OD2 2.56Å; K50-V75 VanDerWaalsContact CA-O 3.32Å; K50-V75 WeakPolarHBondContact CA-O 3.4Å; K50-K76 HydrophobicContact CG-CG 4.35Å
51	M	97.7	Very high	96.3	Very high	32 Å²	32	61.9 Å²	61.9	16%	0.158	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-157.1	148.2	177.2	-166.2	168.6	-72.7	0	0	112.8	F49 A53 D74 V75 F142 N147 K150	F49-M51 HydrophobicContact CD1-CB 4.39Å; F49-M51 HydrophobicContact CE1-CB 3.4Å; F49-M51 VanDerWaalsContact CE1-CB 3.4Å; F49-M51 HydrophobicContact CE2-CB 4.41Å; F49-M51 HydrophobicContact CE2-CE 3.72Å; F49-M51 HydrophobicContact CE2-SD 4.5Å; F49-M51 HydrophobicContact CZ-CB 3.45Å; F49-M51 VanDerWaalsContact CZ-CB 3.45Å; F49-M51 HydrophobicContact CZ-CE 3.53Å; F49-M51 HydrophobicContact CZ-CG 4.2Å; F49-M51 HydrophobicContact CZ-SD 3.73Å; M51-A53 PolarHBondContact O-N 3.46Å; M51-D74 CarbonylContact O-C 3.49Å; M51-D74 WeakPolarHBondContact O-CA 3.46Å; M51-V75 PolarHBondContact N-O 3.4Å; M51-V75 VanDerWaalsContact O-CG1 3.28Å; M51-V75 WeakPolarHBondContact O-CG1 3.3Å; M51-V75 PolarHBondContact O-N 3.2Å; M51-F142 HydrophobicContact CB-CE1 4.36Å; M51-F142 HydrophobicContact CG-CD1 4.16Å; M51-F142 HydrophobicContact CG-CE1 4.31Å; M51-F142 HydrophobicContact SD-CD1 3.85Å; M51-F142 HydrophobicContact SD-CE1 4.15Å; M51-N147 HydrophobicContact CE-CB 4.36Å; M51-N147 HydrophobicContact SD-CB 3.43Å; M51-N147 WeakPolarHBondContact SD-CB 3.17Å; M51-K150 HydrophobicContact CE-CB 4.29Å; M51-K150 HydrophobicContact CE-CD 4.27Å
52	R	98.3	Very high	96	Very high	117 Å²	117	58.1 Å²	58.1	44%	0.442	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.1	128.4	172.4	-175.5	64	169	-178.8	1.3	111.9	G73 D93	R52-G73 VanDerWaalsContact NH1-CA 3.32Å; R52-D93 IonicContact CZ-OD1 2.79Å; R52-D93 IonicContact CZ-OD2 3.71Å; R52-D93 IonicContact NH1-OD1 3.7Å; R52-D93 PolarHBondContact NH1-OD1 3.47Å; R52-D93 IonicContact NH1-OD2 2.73Å; R52-D93 PolarHBondContact NH1-OD2 2.56Å; R52-D93 IonicContact NH2-OD1 3.74Å; R52-D93 IonicContact NH2-OD2 3.79Å; R52-D93 PolarHBondContact NH2-OD2 3.34Å
53	A	98.4	Very high	95.7	Very high	5 Å²	5	65.3 Å²	65.3	4%	0.041	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	167.2	177.9	0	0	0	0	0	113.3	M51 G73 V75 M90 I140 F142	M51-A53 PolarHBondContact O-N 3.46Å; A53-G73 PolarHBondContact N-O 2.75Å; A53-G73 PolarHBondContact O-N 3.34Å; A53-G73 VanDerWaalsContact O-N 3.11Å; A53-G73 VanDerWaalsContact O-O 3.09Å; A53-V75 HydrophobicContact CB-CG1 4.01Å; A53-M90 HydrophobicContact CB-CE 4.16Å; A53-M90 WeakPolarHBondContact O-CE 3.4Å; A53-I140 HydrophobicContact CB-CD1 3.65Å; A53-I140 HydrophobicContact CB-CG1 3.6Å; A53-F142 HydrophobicContact CB-CD1 3.98Å; A53-F142 HydrophobicContact CB-CE1 3.72Å; A53-F142 HydrophobicContact CB-CZ 4.3Å
54	K	98.3	Very high	95.6	Very high	52 Å²	52	68 Å²	68	23%	0.226	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.5	128	165.3	-178.6	177.4	-78	-150.5	0	109.1	F56 E69 T72 I140 R141	K54-F56 HydrophobicContact CB-CE2 4.22Å; K54-F56 HydrophobicContact CD-CE1 4.1Å; K54-F56 HydrophobicContact CD-CE2 3.84Å; K54-F56 HydrophobicContact CD-CZ 3.38Å; K54-F56 HydrophobicContact CG-CD2 4.43Å; K54-F56 HydrophobicContact CG-CE2 3.69Å; K54-F56 HydrophobicContact CG-CZ 3.76Å; K54-E69 VanDerWaalsContact NZ-CD 3.33Å; K54-E69 IonicContact NZ-OE1 2.77Å; K54-E69 PolarHBondContact NZ-OE1 3.03Å; K54-E69 IonicContact NZ-OE2 3.52Å; K54-E69 PolarHBondContact NZ-OE2 3Å; K54-E69 VanDerWaalsContact NZ-OE2 3.17Å; K54-T72 WeakPolarHBondContact CE-OG1 3.47Å; K54-I140 WeakPolarHBondContact O-CA 3.45Å; K54-R141 PolarHBondContact N-O 3.47Å; K54-R141 PolarHBondContact O-N 2.9Å
55	L	98.4	Very high	95.5	Very high	0 Å²	0	66.6 Å²	66.6	0%	0	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	139.1	-178.7	-171.3	75.1	0	0	0	110.9	R70 G71 M90 C99 A100 W122 L138 A139 I140	L55-R70 HydrophobicContact CD2-CB 4.16Å; L55-R70 HydrophobicContact CD2-CG 4.08Å; L55-R70 HydrophobicContact CG-CB 4.26Å; L55-R70 PolarHBondContact O-N 3.01Å; L55-G71 PolarHBondContact N-O 3.03Å; L55-G71 PolarHBondContact O-N 3.48Å; L55-M90 HydrophobicContact CB-CE 4.13Å; L55-M90 HydrophobicContact CB-SD 3.72Å; L55-M90 HydrophobicContact CD2-SD 4.26Å; L55-M90 HydrophobicContact CG-SD 4.43Å; L55-C99 VanDerWaalsContact CD2-O 3.25Å; L55-C99 WeakPolarHBondContact CD2-O 3.42Å; L55-A100 HydrophobicContact CD2-CB 3.69Å; L55-W122 HydrophobicContact CD1-CH2 3.82Å; L55-L138 HydrophobicContact CD1-CB 4.31Å; L55-A139 CarbonylContact C-O 3.58Å; L55-A139 WeakPolarHBondContact CA-O 2.85Å; L55-I140 HydrophobicContact CD1-CB 4.21Å; L55-I140 HydrophobicContact CD1-CG1 4.47Å
56	F	97.7	Very high	95.4	Very high	30 Å²	30	70 Å²	70	13%	0.132	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	151.4	176.4	-55.2	-100.5	0	0	0	109.5	K54 W67 K68 E69 L138 A139 R141	K54-F56 HydrophobicContact CB-CE2 4.22Å; K54-F56 HydrophobicContact CD-CE1 4.1Å; K54-F56 HydrophobicContact CD-CE2 3.84Å; K54-F56 HydrophobicContact CD-CZ 3.38Å; K54-F56 HydrophobicContact CG-CD2 4.43Å; K54-F56 HydrophobicContact CG-CE2 3.69Å; K54-F56 HydrophobicContact CG-CZ 3.76Å; F56-W67 HydrophobicContact CB-CE3 3.87Å; F56-K68 CarbonylContact C-O 3.51Å; F56-K68 VanDerWaalsContact CA-O 3.26Å; F56-K68 WeakPolarHBondContact CA-O 2.89Å; F56-E69 HydrophobicContact CD1-CG 3.99Å; F56-E69 HydrophobicContact CE1-CG 3.72Å; F56-L138 WeakPolarHBondContact O-CA 3.31Å; F56-A139 HydrophobicContact CB-CB 4.27Å; F56-A139 PolarHBondContact N-O 2.96Å; F56-A139 PolarHBondContact O-N 2.91Å; F56-R141 HydrophobicContact CE2-CB 4.04Å
57	R	96.9	Very high	95.4	Very high	45 Å²	45	69.1 Å²	69.1	17%	0.17	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	138.7	171.8	170.7	-176	64.2	104.3	-3.4	108.8	A59 E61 K68 R70 E136 L138	R57-A59 PolarHBondContact O-N 3.43Å; R57-E61 IonicContact CZ-OE1 2.64Å; R57-E61 IonicContact NH1-OE1 2.88Å; R57-E61 PolarHBondContact NH1-OE1 3.02Å; R57-E61 IonicContact NH1-OE2 3.17Å; R57-E61 IonicContact NH2-OE1 2.86Å; R57-K68 PolarHBondContact N-O 3.05Å; R57-K68 PolarHBondContact O-N 3.2Å; R57-R70 HydrophobicContact CB-CB 4.39Å; R57-E136 WeakPolarHBondContact CD-OE1 3.36Å; R57-E136 WeakPolarHBondContact CD-OE2 3.32Å; R57-E136 WeakPolarHBondContact CG-OE2 3.4Å; R57-L138 HydrophobicContact CB-CD2 4.31Å
58	F	96.5	Very high	95.3	Very high	59 Å²	59	67.8 Å²	67.8	26%	0.259	33%	0.331	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	115.9	170.2	-165.7	-114.5	0	0	0	110.4	S60 P65 W67 L137	F58-S60 PolarHBondContact O-N 3.27Å; F58-P65 HydrophobicContact CE1-CB 3.73Å; F58-P65 HydrophobicContact CE2-CB 4.03Å; F58-P65 HydrophobicContact CZ-CB 3.29Å; F58-W67 HydrophobicContact CB-CD2 4.36Å; F58-W67 HydrophobicContact CB-CE3 3.95Å; F58-W67 HydrophobicContact CB-CH2 3.94Å; F58-W67 HydrophobicContact CB-CZ2 4.34Å; F58-W67 HydrophobicContact CB-CZ3 3.72Å; F58-W67 AromaticContact CD2-CD2 3.88Å; F58-W67 HydrophobicContact CD2-CD2 3.88Å; F58-W67 AromaticContact CD2-CE2 3.72Å; F58-W67 HydrophobicContact CD2-CE3 4.33Å; F58-W67 HydrophobicContact CD2-CG 4.23Å; F58-W67 HydrophobicContact CD2-CH2 4.48Å; F58-W67 HydrophobicContact CD2-CZ2 4.05Å; F58-W67 AromaticContact CD2-NE1 3.94Å; F58-W67 HydrophobicContact CG-CZ2 4.5Å; F58-L137 HydrophobicContact CB-CB 3.91Å; F58-L137 HydrophobicContact CB-CD2 3.86Å; F58-L137 HydrophobicContact CB-CG 4.08Å; F58-L137 HydrophobicContact CD1-CD2 3.91Å; F58-L137 HydrophobicContact CG-CD2 3.94Å; F58-L137 PolarHBondContact N-O 2.77Å
59	A	94.9	Very high	95.3	Very high	0 Å²	0	71.2 Å²	71.2	0%	0	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.8	89.5	175.4	0	0	0	0	0	109.3	R57 P65 E66 K68	R57-A59 PolarHBondContact O-N 3.43Å; A59-P65 WeakPolarHBondContact O-CA 3.35Å; A59-E66 PolarHBondContact N-O 2.9Å; A59-E66 PolarHBondContact O-N 3.47Å; A59-K68 HydrophobicContact CB-CD 3.75Å; A59-K68 HydrophobicContact CB-CG 4.06Å
60	S	92.6	Very high	95.2	Very high	85 Å²	85	71.3 Å²	71.3	59%	0.594	35%	0.345	S	S	*	.	T	Hydrogen-bonded Turn	trans	-80.2	-6.1	175.8	59.8	0	0	0	0	113.7	F58 N62	F58-S60 PolarHBondContact O-N 3.27Å; S60-N62 VanDerWaalsContact C-N 3.33Å
61	E	90.1	Very high	95.2	Very high	134 Å²	134	66.9 Å²	66.9	63%	0.626	33%	0.328	S	S	*	.	T	Hydrogen-bonded Turn	trans	-76.9	-16.4	-179.4	65.6	-134.5	175.2	0	0	114	R57	R57-E61 IonicContact CZ-OE1 2.64Å; R57-E61 IonicContact NH1-OE1 2.88Å; R57-E61 PolarHBondContact NH1-OE1 3.02Å; R57-E61 IonicContact NH1-OE2 3.17Å; R57-E61 IonicContact NH2-OE1 2.86Å
62	N	87	Confident	95.2	Very high	54 Å²	54	67.2 Å²	67.2	29%	0.289	33%	0.332	S	S	.	.	S	Bend	trans	-82.4	156.6	176.7	-63.9	-27.7	0	0	0	110.9	S60 L64 E66 K68	S60-N62 VanDerWaalsContact C-N 3.33Å; N62-L64 WeakPolarHBondContact CB-O 3.48Å; N62-L64 PolarHBondContact O-N 3.21Å; N62-L64 VanDerWaalsContact O-N 3.11Å; N62-E66 PolarHBondContact ND2-OE1 3.43Å; N62-K68 WeakPolarHBondContact ND2-CE 3.45Å; N62-K68 PolarHBondContact ND2-NZ 2.9Å; N62-K68 PolarHBondContact OD1-NZ 3.47Å
63	D	88	Confident	95.2	Very high	173 Å²	173	61.6 Å²	61.6	93%	0.925	31%	0.311	S	S	*	.	S	Bend	trans	-53	-33.7	173.2	-65.8	-32.6	0	0	0	112.9
64	L	91.6	Very high	95.2	Very high	142 Å²	142	64.3 Å²	64.3	74%	0.743	33%	0.325	S	S	*	.	S	Bend	trans	-115.8	109.1	172	-69.5	168.5	0	0	0	108.9	N62 E66	N62-L64 WeakPolarHBondContact CB-O 3.48Å; N62-L64 PolarHBondContact O-N 3.21Å; N62-L64 VanDerWaalsContact O-N 3.11Å; L64-E66 PolarHBondContact O-N 3.39Å
65	P	93.3	Very high	95.3	Very high	75 Å²	75	61.9 Å²	61.9	49%	0.487	31%	0.314	S	S	.	.			trans	-59.5	127.6	176.5	-26.2	35.3	0	0	0	111.7	F58 A59	F58-P65 HydrophobicContact CE1-CB 3.73Å; F58-P65 HydrophobicContact CE2-CB 4.03Å; F58-P65 HydrophobicContact CZ-CB 3.29Å; A59-P65 WeakPolarHBondContact O-CA 3.35Å
66	E	95.3	Very high	95.3	Very high	95 Å²	95	64 Å²	64	44%	0.444	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.7	158.3	-174.1	66.8	177.7	169.6	0	0	112.6	A59 N62 L64 K68	A59-E66 PolarHBondContact N-O 2.9Å; A59-E66 PolarHBondContact O-N 3.47Å; N62-E66 PolarHBondContact ND2-OE1 3.43Å; L64-E66 PolarHBondContact O-N 3.39Å; E66-K68 HydrophobicContact CG-CG 4.22Å; E66-K68 WeakPolarHBondContact OE1-CE 3.25Å; E66-K68 IonicContact OE1-NZ 3.81Å
67	W	95.6	Very high	95.3	Very high	90 Å²	90	62.5 Å²	62.5	34%	0.341	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.7	119.5	171.6	-71.1	102.7	0	0	0	110.4	F56 F58 V121 L137 A139	F56-W67 HydrophobicContact CB-CE3 3.87Å; F58-W67 HydrophobicContact CB-CD2 4.36Å; F58-W67 HydrophobicContact CB-CE3 3.95Å; F58-W67 HydrophobicContact CB-CH2 3.94Å; F58-W67 HydrophobicContact CB-CZ2 4.34Å; F58-W67 HydrophobicContact CB-CZ3 3.72Å; F58-W67 AromaticContact CD2-CD2 3.88Å; F58-W67 HydrophobicContact CD2-CD2 3.88Å; F58-W67 AromaticContact CD2-CE2 3.72Å; F58-W67 HydrophobicContact CD2-CE3 4.33Å; F58-W67 HydrophobicContact CD2-CG 4.23Å; F58-W67 HydrophobicContact CD2-CH2 4.48Å; F58-W67 HydrophobicContact CD2-CZ2 4.05Å; F58-W67 AromaticContact CD2-NE1 3.94Å; F58-W67 HydrophobicContact CG-CZ2 4.5Å; W67-V121 HydrophobicContact CH2-CG1 3.83Å; W67-V121 HydrophobicContact CH2-CG2 4.35Å; W67-V121 HydrophobicContact CZ2-CG1 4.22Å; W67-V121 HydrophobicContact CZ2-CG2 4.32Å; W67-L137 HydrophobicContact CH2-CD2 4.16Å; W67-L137 HydrophobicContact CH2-CG 3.93Å; W67-L137 HydrophobicContact CZ2-CD2 4.45Å; W67-L137 WeakPolarHBondContact CZ3-O 3.44Å; W67-A139 HydrophobicContact CE3-CB 3.93Å; W67-A139 HydrophobicContact CH2-CB 3.63Å; W67-A139 HydrophobicContact CZ2-CB 4.25Å; W67-A139 HydrophobicContact CZ3-CB 3.46Å; W67-A139 VanDerWaalsContact CZ3-CB 3.46Å
68	K	96.4	Very high	95.4	Very high	65 Å²	65	60.6 Å²	60.6	28%	0.283	31%	0.31	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	139.4	173.4	-64.5	-175.6	-177	167.3	0	110.4	F56 R57 A59 N62 E66 R70	F56-K68 CarbonylContact C-O 3.51Å; F56-K68 VanDerWaalsContact CA-O 3.26Å; F56-K68 WeakPolarHBondContact CA-O 2.89Å; R57-K68 PolarHBondContact N-O 3.05Å; R57-K68 PolarHBondContact O-N 3.2Å; A59-K68 HydrophobicContact CB-CD 3.75Å; A59-K68 HydrophobicContact CB-CG 4.06Å; N62-K68 WeakPolarHBondContact ND2-CE 3.45Å; N62-K68 PolarHBondContact ND2-NZ 2.9Å; N62-K68 PolarHBondContact OD1-NZ 3.47Å; E66-K68 HydrophobicContact CG-CG 4.22Å; E66-K68 WeakPolarHBondContact OE1-CE 3.25Å; E66-K68 IonicContact OE1-NZ 3.81Å; K68-R70 PolarHBondContact O-N 3.46Å
69	E	97.1	Very high	95.4	Very high	121 Å²	121	60 Å²	60	57%	0.565	31%	0.307	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.6	128.9	173.3	-61.4	-155.3	161.8	0	0	110	K54 F56	K54-E69 VanDerWaalsContact NZ-CD 3.33Å; K54-E69 IonicContact NZ-OE1 2.77Å; K54-E69 PolarHBondContact NZ-OE1 3.03Å; K54-E69 IonicContact NZ-OE2 3.52Å; K54-E69 PolarHBondContact NZ-OE2 3Å; K54-E69 VanDerWaalsContact NZ-OE2 3.17Å; F56-E69 HydrophobicContact CD1-CG 3.99Å; F56-E69 HydrophobicContact CE1-CG 3.72Å
70	R	97.1	Very high	95.6	Very high	22 Å²	22	61.4 Å²	61.4	8%	0.083	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	-36.9	179.3	-169.7	63.5	176	-93.2	11.5	111.9	L55 R57 K68 R92 C99 D130 E136	L55-R70 HydrophobicContact CD2-CB 4.16Å; L55-R70 HydrophobicContact CD2-CG 4.08Å; L55-R70 HydrophobicContact CG-CB 4.26Å; L55-R70 PolarHBondContact O-N 3.01Å; R57-R70 HydrophobicContact CB-CB 4.39Å; K68-R70 PolarHBondContact O-N 3.46Å; R70-R92 VanDerWaalsContact O-CZ 3.26Å; R70-R92 PolarHBondContact O-NE 2.95Å; R70-R92 PolarHBondContact O-NH2 3.47Å; R70-C99 HydrophobicContact CG-CB 4.29Å; R70-C99 WeakPolarHBondContact CG-O 3.14Å; R70-D130 IonicContact CZ-OD1 3.93Å; R70-D130 IonicContact CZ-OD2 3.99Å; R70-D130 IonicContact NH2-OD1 2.94Å; R70-D130 PolarHBondContact NH2-OD1 3.25Å; R70-D130 IonicContact NH2-OD2 2.84Å; R70-D130 PolarHBondContact NH2-OD2 3.05Å; R70-E136 IonicContact CZ-OE1 2.78Å; R70-E136 IonicContact NH1-OE1 3.69Å; R70-E136 PolarHBondContact NH1-OE1 3.32Å; R70-E136 IonicContact NH2-OE1 2.89Å
71	G	97.9	Very high	95.7	Very high	8 Å²	8	64 Å²	64	8%	0.082	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-178.8	157.4	179	0	0	0	0	0	114	L55	L55-G71 PolarHBondContact N-O 3.03Å; L55-G71 PolarHBondContact O-N 3.48Å
72	T	98.6	Very high	95.9	Very high	39 Å²	39	65.7 Å²	65.7	24%	0.239	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.8	134.5	168.4	-58.4	0	0	0	0	107.8	K54 R92 D93	K54-T72 WeakPolarHBondContact CE-OG1 3.47Å; T72-R92 CarbonylContact O-C 3.54Å; T72-R92 WeakPolarHBondContact O-CA 3.36Å; T72-D93 PolarHBondContact O-N 2.75Å
73	G	98.5	Very high	96.2	Very high	0 Å²	0	69.2 Å²	69.2	0%	0	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	170.4	-170.5	-168.4	0	0	0	0	0	113.1	R52 A53 R91	R52-G73 VanDerWaalsContact NH1-CA 3.32Å; A53-G73 PolarHBondContact N-O 2.75Å; A53-G73 PolarHBondContact O-N 3.34Å; A53-G73 VanDerWaalsContact O-N 3.11Å; A53-G73 VanDerWaalsContact O-O 3.09Å; G73-R91 WeakPolarHBondContact CA-O 3.41Å
74	D	98.4	Very high	96.5	Very high	62 Å²	62	61.5 Å²	61.5	33%	0.332	30%	0.296	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	122.9	171.6	-68.2	-18.6	0	0	0	109.9	K50 M51	K50-D74 WeakPolarHBondContact CE-OD2 3.2Å; K50-D74 HydrophobicContact CG-CB 4.22Å; K50-D74 IonicContact NZ-OD2 2.56Å; M51-D74 CarbonylContact O-C 3.49Å; M51-D74 WeakPolarHBondContact O-CA 3.46Å
75	V	98.6	Very high	96.7	Very high	0 Å²	0	55.9 Å²	55.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.7	135	166.8	61.1	0	0	0	0	109	F49 K50 M51 A53 L88 M90 I140 F142 F151	F49-V75 HydrophobicContact CE1-CG1 4.26Å; K50-V75 VanDerWaalsContact CA-O 3.32Å; K50-V75 WeakPolarHBondContact CA-O 3.4Å; M51-V75 PolarHBondContact N-O 3.4Å; M51-V75 VanDerWaalsContact O-CG1 3.28Å; M51-V75 WeakPolarHBondContact O-CG1 3.3Å; M51-V75 PolarHBondContact O-N 3.2Å; A53-V75 HydrophobicContact CB-CG1 4.01Å; V75-L88 HydrophobicContact CG2-CD1 4.02Å; V75-L88 HydrophobicContact CG2-CD2 3.87Å; V75-L88 HydrophobicContact CG2-CG 3.77Å; V75-M90 HydrophobicContact CB-CB 4.42Å; V75-M90 HydrophobicContact CB-CG 4.2Å; V75-M90 HydrophobicContact CB-SD 4.19Å; V75-I140 HydrophobicContact CB-CD1 3.95Å; V75-I140 HydrophobicContact CG1-CD1 3.79Å; V75-I140 HydrophobicContact CG2-CD1 4.02Å; V75-F142 HydrophobicContact CG1-CE1 4.01Å; V75-F142 HydrophobicContact CG1-CZ 4.3Å; V75-F151 HydrophobicContact CG1-CD2 4.44Å; V75-F151 HydrophobicContact CG1-CE2 4.41Å; V75-F151 HydrophobicContact CG2-CE2 4.19Å
76	K	98.5	Very high	96.9	Very high	44 Å²	44	52.3 Å²	52.3	19%	0.191	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.9	143.1	176.5	-59.3	-175.5	-177.4	-176.5	0	111	E42 E47 F49 K50 L78 L88 L89	E42-K76 IonicContact OE2-NZ 3.54Å; E42-K76 PolarHBondContact OE2-NZ 2.86Å; E47-K76 WeakPolarHBondContact OE2-CD 3.34Å; E47-K76 VanDerWaalsContact OE2-CE 3.32Å; E47-K76 WeakPolarHBondContact OE2-CE 3.18Å; E47-K76 IonicContact OE2-NZ 2.67Å; F49-K76 CarbonylContact O-C 3.53Å; F49-K76 VanDerWaalsContact O-CA 3.23Å; F49-K76 WeakPolarHBondContact O-CA 3.32Å; K50-K76 HydrophobicContact CG-CG 4.35Å; K76-L78 HydrophobicContact CB-CD1 4.49Å; K76-L78 HydrophobicContact CB-CD2 3.97Å; K76-L78 HydrophobicContact CB-CG 3.98Å; K76-L78 HydrophobicContact CD-CD1 4.45Å; K76-L78 HydrophobicContact CD-CD2 4.04Å; K76-L88 WeakPolarHBondContact O-CA 3.13Å; K76-L89 PolarHBondContact N-O 3.38Å; K76-L89 PolarHBondContact O-N 3.01Å
77	L	98.4	Very high	97	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.9	117	161.4	-58.1	-173.9	0	0	0	107.7	L48 F49 R87 L88 I104 F151 K154 F155	L48-L77 HydrophobicContact CB-CB 4.37Å; L48-L77 PolarHBondContact N-O 3.07Å; F49-L77 HydrophobicContact CB-CB 4.06Å; F49-L77 HydrophobicContact CB-CD1 4.14Å; F49-L77 HydrophobicContact CB-CG 4.02Å; F49-L77 HydrophobicContact CD1-CG 4.45Å; F49-L77 PolarHBondContact O-N 3.36Å; L77-R87 WeakPolarHBondContact CA-O 3.38Å; L77-L88 HydrophobicContact CD2-CB 4.02Å; L77-L88 HydrophobicContact CD2-CD1 4.09Å; L77-L88 HydrophobicContact CD2-CG 4.05Å; L77-I104 HydrophobicContact CD1-CD1 4.42Å; L77-I104 HydrophobicContact CD2-CD1 3.96Å; L77-F151 HydrophobicContact CD2-CE2 4.37Å; L77-K154 HydrophobicContact CD1-CB 4.22Å; L77-F155 HydrophobicContact CD1-CB 4.49Å; L77-F155 HydrophobicContact CD2-CD2 4.43Å
78	L	98.4	Very high	97.1	Very high	4 Å²	4	45.3 Å²	45.3	2%	0.021	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.7	128.3	-172.1	-61.7	-179.5	0	0	0	109.9	E42 E45 E46 E47 K76 I86 R87 L89	E42-L78 HydrophobicContact CB-CD1 4.32Å; E42-L78 HydrophobicContact CG-CD1 3.95Å; E45-L78 HydrophobicContact CB-CB 4.01Å; E45-L78 WeakPolarHBondContact OE2-CB 3.43Å; E45-L78 VanDerWaalsContact OE2-CD1 3.22Å; E45-L78 WeakPolarHBondContact OE2-CD1 3.45Å; E46-L78 CarbonylContact O-C 3.56Å; E46-L78 WeakPolarHBondContact O-CA 3.18Å; E47-L78 HydrophobicContact CB-CD2 4.05Å; E47-L78 HydrophobicContact CG-CD2 4.25Å; K76-L78 HydrophobicContact CB-CD1 4.49Å; K76-L78 HydrophobicContact CB-CD2 3.97Å; K76-L78 HydrophobicContact CB-CG 3.98Å; K76-L78 HydrophobicContact CD-CD1 4.45Å; K76-L78 HydrophobicContact CD-CD2 4.04Å; L78-I86 CarbonylContact O-C 3.59Å; L78-I86 VanDerWaalsContact O-CA 3.25Å; L78-I86 WeakPolarHBondContact O-CA 3.49Å; L78-R87 HydrophobicContact CB-CG 4.11Å; L78-R87 PolarHBondContact N-O 3.12Å; L78-R87 PolarHBondContact O-N 2.78Å; L78-L89 HydrophobicContact CD1-CB 3.96Å; L78-L89 HydrophobicContact CD1-CD2 3.69Å; L78-L89 HydrophobicContact CD1-CG 4.49Å
79	K	98.1	Very high	97.2	Very high	48 Å²	48	42.3 Å²	42.3	21%	0.209	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.1	120.2	177.7	-179.3	-179.4	180	176	0	110.6	E45 E46 L48 K81 A85 I86 E161	E45-K79 CarbonylContact C-O 3.55Å; E45-K79 VanDerWaalsContact CA-O 3.23Å; E45-K79 WeakPolarHBondContact CA-O 3.16Å; E46-K79 PolarHBondContact N-O 2.68Å; E46-K79 PolarHBondContact O-N 3.36Å; L48-K79 HydrophobicContact CD1-CB 3.82Å; L48-K79 HydrophobicContact CD1-CD 4.3Å; L48-K79 HydrophobicContact CD2-CB 4.3Å; L48-K79 HydrophobicContact CD2-CD 4.46Å; L48-K79 HydrophobicContact CG-CB 4.01Å; K79-K81 PolarHBondContact O-N 2.86Å; K79-A85 WeakPolarHBondContact CA-O 3.17Å; K79-I86 HydrophobicContact CB-CG1 3.96Å; K79-I86 HydrophobicContact CD-CG1 4.43Å; K79-I86 HydrophobicContact CG-CG1 3.91Å; K79-E161 WeakPolarHBondContact CE-OE1 3.15Å; K79-E161 IonicContact NZ-OE1 3.09Å; K79-E161 PolarHBondContact NZ-OE1 3.4Å; K79-E161 IonicContact NZ-OE2 2.89Å; K79-E161 PolarHBondContact NZ-OE2 2.78Å
80	H	97.4	Very high	97.3	Very high	29 Å²	29	36.6 Å²	36.6	13%	0.134	18%	0.177	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.5	127.3	175.8	-167.7	-57.2	0	0	0	111.2	E45 E82 K83 G84 A85	E45-H80 HydrophobicContact CG-CB 4.38Å; H80-E82 PolarHBondContact ND1-N 3.08Å; H80-E82 PolarHBondContact O-N 3.29Å; H80-K83 HydrophobicContact CB-CB 4.1Å; H80-K83 PolarHBondContact ND1-N 3.35Å; H80-K83 VanDerWaalsContact ND1-N 3.14Å; H80-G84 WeakPolarHBondContact O-CA 3.46Å; H80-G84 PolarHBondContact O-N 3.47Å; H80-A85 PolarHBondContact N-O 3.48Å
81	K	95.7	Very high	97.4	Very high	139 Å²	139	38.9 Å²	38.9	60%	0.604	19%	0.185	S	C	*	.	T	Hydrogen-bonded Turn	trans	-59	-48.6	-173.6	-69.2	165.2	-175	165.2	0	112.8	E43 D44 K79	E43-K81 PolarHBondContact O-NZ 3.43Å; D44-K81 WeakPolarHBondContact O-CB 3.18Å; D44-K81 VanDerWaalsContact O-CG 3.27Å; D44-K81 WeakPolarHBondContact O-CG 3.45Å; D44-K81 PolarHBondContact O-N 2.9Å; K79-K81 PolarHBondContact O-N 2.86Å
82	E	94.4	Very high	97.4	Very high	170 Å²	170	41.4 Å²	41.4	79%	0.794	19%	0.192	S	C	*	.	T	Hydrogen-bonded Turn	trans	-83.9	-52	179.5	-56	-178	163.5	0	0	113	H80 G84	H80-E82 PolarHBondContact ND1-N 3.08Å; H80-E82 PolarHBondContact O-N 3.29Å; E82-G84 VanDerWaalsContact C-N 3.27Å; E82-G84 PolarHBondContact O-N 2.92Å
83	K	93	Very high	97.3	Very high	128 Å²	128	42.6 Å²	42.6	56%	0.557	20%	0.197	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76.7	-10.9	-173.8	-66.9	178.3	-174.8	164.3	0	113.2	H80 A85 R165	H80-K83 HydrophobicContact CB-CB 4.1Å; H80-K83 PolarHBondContact ND1-N 3.35Å; H80-K83 VanDerWaalsContact ND1-N 3.14Å; K83-A85 PolarHBondContact O-N 3.42Å; K83-R165 PolarHBondContact O-NH1 2.87Å; K83-R165 PolarHBondContact O-NH2 2.96Å
84	G	93.6	Very high	97.1	Very high	10 Å²	10	52.3 Å²	52.3	10%	0.103	24%	0.24	C	C	.	.			trans	55	10.9	-179	0	0	0	0	0	115.7	H80 E82 R165	H80-G84 WeakPolarHBondContact O-CA 3.46Å; H80-G84 PolarHBondContact O-N 3.47Å; E82-G84 VanDerWaalsContact C-N 3.27Å; E82-G84 PolarHBondContact O-N 2.92Å; G84-R165 VanDerWaalsContact CA-NH1 3.32Å; G84-R165 PolarHBondContact O-NH1 2.65Å
85	A	95.4	Very high	97	Very high	24 Å²	24	53.4 Å²	53.4	20%	0.198	25%	0.249	C	C	.	.			trans	-77.8	141.2	178.3	0	0	0	0	0	108.6	K79 H80 K83 Y103	K79-A85 WeakPolarHBondContact CA-O 3.17Å; H80-A85 PolarHBondContact N-O 3.48Å; K83-A85 PolarHBondContact O-N 3.42Å; A85-Y103 HydrophobicContact CB-CD1 4.09Å; A85-Y103 HydrophobicContact CB-CE1 3.85Å
86	I	97.9	Very high	96.8	Very high	1 Å²	1	59 Å²	59	1%	0.005	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	128.1	-179.7	-57.4	171	0	0	0	108.8	L48 L78 K79 Y103 I104 C158 I162	L48-I86 HydrophobicContact CD1-CD1 4.05Å; L48-I86 HydrophobicContact CD1-CG1 4.41Å; L48-I86 HydrophobicContact CD1-CG2 4.4Å; L78-I86 CarbonylContact O-C 3.59Å; L78-I86 VanDerWaalsContact O-CA 3.25Å; L78-I86 WeakPolarHBondContact O-CA 3.49Å; K79-I86 HydrophobicContact CB-CG1 3.96Å; K79-I86 HydrophobicContact CD-CG1 4.43Å; K79-I86 HydrophobicContact CG-CG1 3.91Å; I86-Y103 WeakPolarHBondContact O-CA 3.42Å; I86-I104 HydrophobicContact CG2-CD1 3.87Å; I86-I104 HydrophobicContact CG2-CG1 4.4Å; I86-I104 PolarHBondContact O-N 2.67Å; I86-C158 HydrophobicContact CD1-CB 3.76Å; I86-C158 HydrophobicContact CG2-CB 4.01Å; I86-I162 HydrophobicContact CB-CD1 4.24Å; I86-I162 HydrophobicContact CB-CG1 4.42Å; I86-I162 HydrophobicContact CD1-CD1 4.11Å; I86-I162 HydrophobicContact CD1-CG1 4.23Å; I86-I162 HydrophobicContact CG1-CD1 3.97Å; I86-I162 HydrophobicContact CG1-CG1 4.42Å
87	R	98.1	Very high	96.8	Very high	37 Å²	37	63.6 Å²	63.6	14%	0.14	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.1	151.8	175.8	66.7	176.5	179.4	171.9	-2.2	112.2	L41 E45 L77 L78 H102 Y103	L41-R87 PolarHBondContact O-NH2 3.36Å; E45-R87 VanDerWaalsContact CD-NE 3.25Å; E45-R87 WeakPolarHBondContact OE1-CD 3.32Å; E45-R87 IonicContact OE1-CZ 3.64Å; E45-R87 IonicContact OE1-NE 3.83Å; E45-R87 PolarHBondContact OE1-NE 3.4Å; E45-R87 IonicContact OE1-NH2 2.59Å; E45-R87 IonicContact OE2-CZ 2.87Å; E45-R87 IonicContact OE2-NE 3.29Å; E45-R87 PolarHBondContact OE2-NE 3.35Å; E45-R87 IonicContact OE2-NH2 2.65Å; E45-R87 PolarHBondContact OE2-NH2 3.15Å; L77-R87 WeakPolarHBondContact CA-O 3.38Å; L78-R87 HydrophobicContact CB-CG 4.11Å; L78-R87 PolarHBondContact N-O 3.12Å; L78-R87 PolarHBondContact O-N 2.78Å; R87-H102 CarbonylContact C-O 3.58Å; R87-H102 VanDerWaalsContact CA-O 3.29Å; R87-H102 WeakPolarHBondContact CA-O 3.12Å; R87-H102 WeakPolarHBondContact CB-O 3.2Å; R87-Y103 HydrophobicContact CB-CD1 3.84Å; R87-Y103 HydrophobicContact CB-CE1 4.17Å
88	L	98.4	Very high	96.7	Very high	0 Å²	0	65.8 Å²	65.8	0%	0	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.3	124.1	166.2	-173.6	153.9	0	0	0	108.1	V75 K76 L77 A100 N101 H102 W122 F151 F155	V75-L88 HydrophobicContact CG2-CD1 4.02Å; V75-L88 HydrophobicContact CG2-CD2 3.87Å; V75-L88 HydrophobicContact CG2-CG 3.77Å; K76-L88 WeakPolarHBondContact O-CA 3.13Å; L77-L88 HydrophobicContact CD2-CB 4.02Å; L77-L88 HydrophobicContact CD2-CD1 4.09Å; L77-L88 HydrophobicContact CD2-CG 4.05Å; L88-A100 HydrophobicContact CD2-CB 3.64Å; L88-N101 VanDerWaalsContact O-CA 3.31Å; L88-N101 WeakPolarHBondContact O-CA 3.43Å; L88-H102 PolarHBondContact N-O 3.07Å; L88-H102 PolarHBondContact O-N 2.97Å; L88-H102 VanDerWaalsContact O-N 3.16Å; L88-W122 HydrophobicContact CD1-CH2 4.38Å; L88-W122 HydrophobicContact CD1-CZ2 3.88Å; L88-F151 HydrophobicContact CD1-CE2 4.19Å; L88-F151 HydrophobicContact CD1-CZ 3.9Å; L88-F155 HydrophobicContact CD1-CE2 4.25Å
89	L	98.5	Very high	96.7	Very high	3 Å²	3	65.6 Å²	65.6	2%	0.016	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	133.5	176.3	-175.8	68.9	0	0	0	109.8	E42 K76 L78 I98 A100 N101	E42-L89 HydrophobicContact CG-CD2 3.7Å; E42-L89 WeakPolarHBondContact OE1-CD2 3.2Å; K76-L89 PolarHBondContact N-O 3.38Å; K76-L89 PolarHBondContact O-N 3.01Å; L78-L89 HydrophobicContact CD1-CB 3.96Å; L78-L89 HydrophobicContact CD1-CD2 3.69Å; L78-L89 HydrophobicContact CD1-CG 4.49Å; L89-I98 HydrophobicContact CD1-CD1 4.16Å; L89-I98 HydrophobicContact CD1-CG1 4.29Å; L89-I98 HydrophobicContact CD1-CG2 3.98Å; L89-A100 WeakPolarHBondContact CA-O 3.46Å; L89-N101 HydrophobicContact CD1-CB 3.94Å
90	M	98.6	Very high	96.7	Very high	1 Å²	1	63.3 Å²	63.3	1%	0.005	30%	0.298	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	131.8	175.8	-169.1	179.3	173.1	0	0	110.4	A53 L55 V75 C99 A100	A53-M90 HydrophobicContact CB-CE 4.16Å; A53-M90 WeakPolarHBondContact O-CE 3.4Å; L55-M90 HydrophobicContact CB-CE 4.13Å; L55-M90 HydrophobicContact CB-SD 3.72Å; L55-M90 HydrophobicContact CD2-SD 4.26Å; L55-M90 HydrophobicContact CG-SD 4.43Å; V75-M90 HydrophobicContact CB-CB 4.42Å; V75-M90 HydrophobicContact CB-CG 4.2Å; V75-M90 HydrophobicContact CB-SD 4.19Å; M90-C99 VanDerWaalsContact CG-SG 3.56Å; M90-C99 PolarHBondContact O-N 2.6Å; M90-C99 PolarHBondContact O-SG 3.06Å; M90-A100 HydrophobicContact CB-CB 4.13Å; M90-A100 PolarHBondContact N-O 3.44Å; M90-A100 PolarHBondContact O-N 2.88Å
91	R	98.2	Very high	96.8	Very high	70 Å²	70	63.1 Å²	63.1	26%	0.264	30%	0.298	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	142.8	178.8	-65.5	177.1	-176.8	-86.4	2.9	110.5	T40 E42 G73 L96 K97 I98	T40-R91 PolarHBondContact O-NH2 3.29Å; E42-R91 IonicContact OE1-CZ 3.6Å; E42-R91 VanDerWaalsContact OE1-CZ 3.29Å; E42-R91 IonicContact OE1-NE 3.14Å; E42-R91 PolarHBondContact OE1-NE 3.11Å; E42-R91 IonicContact OE1-NH2 2.74Å; E42-R91 PolarHBondContact OE1-NH2 3.36Å; G73-R91 WeakPolarHBondContact CA-O 3.41Å; R91-L96 PolarHBondContact NH1-O 3.02Å; R91-K97 CarbonylContact C-O 3.54Å; R91-K97 WeakPolarHBondContact CA-O 3.39Å; R91-I98 HydrophobicContact CG-CG1 4.3Å
92	R	97.9	Very high	96.9	Very high	60 Å²	60	56.7 Å²	56.7	23%	0.226	27%	0.27	C	S	.	.			trans	-72.3	145.1	175.9	-61.6	-176.5	-172.5	83	-1	110.9	R70 T72 L96 K97 I98 C99	R70-R92 VanDerWaalsContact O-CZ 3.26Å; R70-R92 PolarHBondContact O-NE 2.95Å; R70-R92 PolarHBondContact O-NH2 3.47Å; T72-R92 CarbonylContact O-C 3.54Å; T72-R92 WeakPolarHBondContact O-CA 3.36Å; R92-L96 VanDerWaalsContact O-CA 3.27Å; R92-L96 WeakPolarHBondContact O-CA 3.23Å; R92-L96 PolarHBondContact O-N 2.88Å; R92-K97 PolarHBondContact N-O 3.1Å; R92-I98 PolarHBondContact NH1-O 2.67Å; R92-C99 HydrophobicContact CG-CB 3.87Å
93	D	97.1	Very high	97	Very high	64 Å²	64	54.9 Å²	54.9	34%	0.342	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.4	152.4	170.9	-60.2	-41.8	0	0	0	112.7	R52 T72 T95	R52-D93 IonicContact CZ-OD1 2.79Å; R52-D93 IonicContact CZ-OD2 3.71Å; R52-D93 IonicContact NH1-OD1 3.7Å; R52-D93 PolarHBondContact NH1-OD1 3.47Å; R52-D93 IonicContact NH1-OD2 2.73Å; R52-D93 PolarHBondContact NH1-OD2 2.56Å; R52-D93 IonicContact NH2-OD1 3.74Å; R52-D93 IonicContact NH2-OD2 3.79Å; R52-D93 PolarHBondContact NH2-OD2 3.34Å; T72-D93 PolarHBondContact O-N 2.75Å; D93-T95 PolarHBondContact O-N 3.34Å
94	K	95.3	Very high	97.3	Very high	205 Å²	205	49 Å²	49	89%	0.891	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	65.2	-50.9	176.7	-51.5	-180	179.1	-177.3	0	113.8
95	T	95.5	Very high	97.3	Very high	85 Å²	85	50.4 Å²	50.4	52%	0.521	24%	0.238	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.8	-20.6	-178.9	63.4	0	0	0	0	113.6	D93 K97	D93-T95 PolarHBondContact O-N 3.34Å; T95-K97 PolarHBondContact O-N 3.36Å
96	L	94.7	Very high	97.2	Very high	117 Å²	117	50.4 Å²	50.4	61%	0.613	24%	0.236	S	C	*	.			trans	56.8	9.2	-177.8	-53.3	179.1	0	0	0	115.1	R91 R92	R91-L96 PolarHBondContact NH1-O 3.02Å; R92-L96 VanDerWaalsContact O-CA 3.27Å; R92-L96 WeakPolarHBondContact O-CA 3.23Å; R92-L96 PolarHBondContact O-N 2.88Å
97	K	97	Very high	97	Very high	141 Å²	141	56.3 Å²	56.3	61%	0.613	27%	0.265	S	S	*	.			trans	-64.5	136.8	176	-70	-172.6	177.2	-172.9	0	110.2	R91 R92 T95	R91-K97 CarbonylContact C-O 3.54Å; R91-K97 WeakPolarHBondContact CA-O 3.39Å; R92-K97 PolarHBondContact N-O 3.1Å; T95-K97 PolarHBondContact O-N 3.36Å
98	I	97.7	Very high	96.9	Very high	45 Å²	45	54.9 Å²	54.9	23%	0.231	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.1	137.2	175.1	-60.2	175.6	0	0	0	109.3	L89 R91 R92 A100 N101 A129	L89-I98 HydrophobicContact CD1-CD1 4.16Å; L89-I98 HydrophobicContact CD1-CG1 4.29Å; L89-I98 HydrophobicContact CD1-CG2 3.98Å; R91-I98 HydrophobicContact CG-CG1 4.3Å; R92-I98 PolarHBondContact NH1-O 2.67Å; I98-A100 WeakPolarHBondContact CG2-O 3.27Å; I98-N101 HydrophobicContact CG2-CB 3.7Å; I98-A129 HydrophobicContact CG2-CB 3.92Å
99	C	97.9	Very high	96.7	Very high	0 Å²	0	60 Å²	60	0%	0	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.5	-11.8	177.3	63.3	0	0	0	0	113.9	L55 R70 M90 R92	L55-C99 VanDerWaalsContact CD2-O 3.25Å; L55-C99 WeakPolarHBondContact CD2-O 3.42Å; R70-C99 HydrophobicContact CG-CB 4.29Å; R70-C99 WeakPolarHBondContact CG-O 3.14Å; M90-C99 VanDerWaalsContact CG-SG 3.56Å; M90-C99 PolarHBondContact O-N 2.6Å; M90-C99 PolarHBondContact O-SG 3.06Å; R92-C99 HydrophobicContact CG-CB 3.87Å
100	A	98.5	Very high	96.6	Very high	0 Å²	0	60.2 Å²	60.2	0%	0	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.7	139.4	161	0	0	0	0	0	108.9	L55 L88 L89 M90 I98 D127	L55-A100 HydrophobicContact CD2-CB 3.69Å; L88-A100 HydrophobicContact CD2-CB 3.64Å; L89-A100 WeakPolarHBondContact CA-O 3.46Å; M90-A100 HydrophobicContact CB-CB 4.13Å; M90-A100 PolarHBondContact N-O 3.44Å; M90-A100 PolarHBondContact O-N 2.88Å; I98-A100 WeakPolarHBondContact CG2-O 3.27Å; A100-D127 WeakPolarHBondContact CA-OD2 3.39Å
101	N	98.5	Very high	96.5	Very high	25 Å²	25	65.6 Å²	65.6	13%	0.134	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-156.7	95.4	174.1	179.6	18.9	0	0	0	109.4	L88 L89 I98 D127 F128	L88-N101 VanDerWaalsContact O-CA 3.31Å; L88-N101 WeakPolarHBondContact O-CA 3.43Å; L89-N101 HydrophobicContact CD1-CB 3.94Å; I98-N101 HydrophobicContact CG2-CB 3.7Å; N101-D127 PolarHBondContact N-OD2 2.84Å; N101-F128 HydrophobicContact CB-CB 4.48Å; N101-F128 WeakPolarHBondContact O-CB 3.29Å; N101-F128 PolarHBondContact O-N 3.35Å
102	H	98.4	Very high	96.3	Very high	4 Å²	4	66.6 Å²	66.6	2%	0.019	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.5	152.5	177.8	50.2	-91.1	0	0	0	111.4	R87 L88 W122 T124 D127	R87-H102 CarbonylContact C-O 3.58Å; R87-H102 VanDerWaalsContact CA-O 3.29Å; R87-H102 WeakPolarHBondContact CA-O 3.12Å; R87-H102 WeakPolarHBondContact CB-O 3.2Å; L88-H102 PolarHBondContact N-O 3.07Å; L88-H102 PolarHBondContact O-N 2.97Å; L88-H102 VanDerWaalsContact O-N 3.16Å; H102-W122 AromaticContact CE1-CZ2 3.89Å; H102-W122 AromaticContact CE1-NE1 3.67Å; H102-W122 AromaticContact NE2-CE2 3.77Å; H102-W122 AromaticContact NE2-CZ2 3.88Å; H102-W122 AromaticContact NE2-NE1 3.07Å; H102-W122 PolarHBondContact NE2-NE1 3Å; H102-T124 VanDerWaalsContact CB-OG1 3.32Å; H102-T124 WeakPolarHBondContact CB-OG1 3.33Å; H102-T124 VanDerWaalsContact CG-OG1 3.3Å; H102-D127 IonicContact CE1-OD2 3.48Å; H102-D127 IonicContact CG-OD2 3.47Å; H102-D127 IonicContact ND1-OD2 2.78Å; H102-D127 PolarHBondContact ND1-OD2 3.08Å
103	Y	97.8	Very high	95.9	Very high	132 Å²	132	66.4 Å²	66.4	52%	0.518	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	144.3	171.4	-67.3	-69.1	0	0	0	111.4	A85 I86 R87 M108	A85-Y103 HydrophobicContact CB-CD1 4.09Å; A85-Y103 HydrophobicContact CB-CE1 3.85Å; I86-Y103 WeakPolarHBondContact O-CA 3.42Å; R87-Y103 HydrophobicContact CB-CD1 3.84Å; R87-Y103 HydrophobicContact CB-CE1 4.17Å; Y103-M108 WeakPolarHBondContact O-CE 3.27Å
104	I	97.3	Very high	95.2	Very high	4 Å²	4	68 Å²	68	2%	0.021	35%	0.35	C	S	.	.			trans	-75.2	126.5	165.8	-60.4	-176.8	0	0	0	107.5	L77 I86 F155 C158 R159	L77-I104 HydrophobicContact CD1-CD1 4.42Å; L77-I104 HydrophobicContact CD2-CD1 3.96Å; I86-I104 HydrophobicContact CG2-CD1 3.87Å; I86-I104 HydrophobicContact CG2-CG1 4.4Å; I86-I104 PolarHBondContact O-N 2.67Å; I104-F155 HydrophobicContact CD1-CD2 3.86Å; I104-F155 HydrophobicContact CD1-CE2 3.82Å; I104-F155 HydrophobicContact CD1-CG 4.43Å; I104-F155 HydrophobicContact CD1-CZ 4.36Å; I104-F155 HydrophobicContact CG1-CD2 4.43Å; I104-F155 HydrophobicContact CG1-CE2 3.89Å; I104-F155 HydrophobicContact CG1-CZ 4.2Å; I104-F155 HydrophobicContact CG2-CE1 4.22Å; I104-F155 HydrophobicContact CG2-CZ 4.06Å; I104-C158 HydrophobicContact CD1-CB 3.74Å; I104-R159 HydrophobicContact CG2-CB 4.02Å
105	T	95.3	Very high	94.7	Very high	41 Å²	41	62.7 Å²	62.7	25%	0.252	35%	0.353	S	S	.	.			trans	-113.4	154.4	175.8	66.2	0	0	0	0	111.4	M107 M108	T105-M107 PolarHBondContact O-N 3.48Å; T105-M107 VanDerWaalsContact O-N 3.08Å; T105-M108 HydrophobicContact CG2-CE 4.29Å; T105-M108 WeakPolarHBondContact O-CB 3.36Å; T105-M108 PolarHBondContact O-N 3.39Å; T105-M108 VanDerWaalsContact O-N 3.07Å; T105-M108 WeakPolarHBondContact OG1-CG 3.43Å
106	P	93.4	Very high	94.5	Very high	23 Å²	23	59.7 Å²	59.7	15%	0.149	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	-61.9	-17.4	-179.2	-29	39.6	0	0	0	115	R159 I162 E163 E166	P106-R159 PolarHBondContact O-NE 2.86Å; P106-R159 PolarHBondContact O-NH2 2.83Å; P106-I162 HydrophobicContact CG-CB 4.48Å; P106-I162 HydrophobicContact CG-CG2 3.86Å; P106-E163 HydrophobicContact CB-CB 4Å; P106-E163 HydrophobicContact CB-CG 4.14Å; P106-E163 HydrophobicContact CG-CB 4.12Å; P106-E166 WeakPolarHBondContact CG-OE2 3.32Å
107	M	92.8	Very high	94.5	Very high	125 Å²	125	59.4 Å²	59.4	62%	0.616	34%	0.335	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.5	-7.8	177.9	69	-143.9	-150.5	0	0	114	T105 H125	T105-M107 PolarHBondContact O-N 3.48Å; T105-M107 VanDerWaalsContact O-N 3.08Å; M107-H125 WeakPolarHBondContact CE-CD2 3.32Å; M107-H125 WeakPolarHBondContact CE-NE2 3.23Å
108	M	95.9	Very high	94.4	Very high	8 Å²	8	57.7 Å²	57.7	4%	0.039	33%	0.325	C	S	.	.			trans	-69.8	136.9	176.3	-72.1	-179.4	-176.8	0	0	111.3	Y103 T105 F155 R159	Y103-M108 WeakPolarHBondContact O-CE 3.27Å; T105-M108 HydrophobicContact CG2-CE 4.29Å; T105-M108 WeakPolarHBondContact O-CB 3.36Å; T105-M108 PolarHBondContact O-N 3.39Å; T105-M108 VanDerWaalsContact O-N 3.07Å; T105-M108 WeakPolarHBondContact OG1-CG 3.43Å; M108-F155 HydrophobicContact CB-CE1 4.12Å; M108-F155 HydrophobicContact CB-CZ 4.12Å; M108-F155 HydrophobicContact SD-CZ 4.02Å; M108-R159 WeakPolarHBondContact O-CD 3.42Å; M108-R159 VanDerWaalsContact O-CZ 3.24Å; M108-R159 PolarHBondContact O-NE 3.37Å
109	E	94.6	Very high	94.4	Very high	107 Å²	107	55.8 Å²	55.8	50%	0.5	32%	0.316	S	S	.	.			trans	-132.9	126.2	177.3	-173.1	-172.9	-173.5	0	0	109.6	K111	E109-K111 VanDerWaalsContact CD-CE 3.5Å; E109-K111 HydrophobicContact CG-CG 4.33Å; E109-K111 PolarHBondContact O-N 3.49Å; E109-K111 WeakPolarHBondContact OE2-CE 3.46Å; E109-K111 IonicContact OE2-NZ 3.78Å; E109-K111 PolarHBondContact OE2-NZ 3.27Å
110	L	96.6	Very high	94.4	Very high	8 Å²	8	56.4 Å²	56.4	4%	0.042	32%	0.318	C	S	.	.			trans	-81.6	110.6	173.3	-66.1	-176.9	0	0	0	109.8	W120 W122 F151 K152 F155	L110-W120 HydrophobicContact CB-CB 4.23Å; L110-W120 HydrophobicContact CB-CD2 4.43Å; L110-W120 HydrophobicContact CB-CE3 4.36Å; L110-W120 HydrophobicContact CB-CG 4.37Å; L110-W120 HydrophobicContact CD1-CG 4.41Å; L110-W120 HydrophobicContact CD2-CB 4.16Å; L110-W122 HydrophobicContact CD2-CB 3.96Å; L110-W122 HydrophobicContact CD2-CD2 3.99Å; L110-W122 HydrophobicContact CD2-CE3 3.81Å; L110-W122 HydrophobicContact CD2-CG 4.09Å; L110-F151 HydrophobicContact CD1-CD1 4.04Å; L110-F151 HydrophobicContact CD1-CE1 3.74Å; L110-F151 HydrophobicContact CD2-CE1 4.19Å; L110-K152 HydrophobicContact CD1-CB 4.08Å; L110-K152 HydrophobicContact CD1-CG 4.11Å; L110-F155 HydrophobicContact CD1-CB 3.66Å; L110-F155 HydrophobicContact CD1-CD1 3.73Å; L110-F155 HydrophobicContact CD1-CD2 4.39Å; L110-F155 HydrophobicContact CD1-CE1 4.5Å; L110-F155 HydrophobicContact CD1-CG 3.67Å; L110-F155 HydrophobicContact CD2-CD1 4.22Å; L110-F155 HydrophobicContact CD2-CE1 4.2Å; L110-F155 HydrophobicContact CD2-CE2 4.49Å; L110-F155 HydrophobicContact CD2-CG 4.39Å; L110-F155 HydrophobicContact CD2-CZ 4.33Å; L110-F155 HydrophobicContact CG-CD1 3.71Å; L110-F155 HydrophobicContact CG-CE1 4.02Å; L110-F155 HydrophobicContact CG-CG 4.08Å
111	K	95.9	Very high	94.4	Very high	114 Å²	114	57.3 Å²	57.3	50%	0.496	32%	0.324	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.5	177	-65	-177	-179.7	179.2	0	110.7	E109 W120 V121	E109-K111 VanDerWaalsContact CD-CE 3.5Å; E109-K111 HydrophobicContact CG-CG 4.33Å; E109-K111 PolarHBondContact O-N 3.49Å; E109-K111 WeakPolarHBondContact OE2-CE 3.46Å; E109-K111 IonicContact OE2-NZ 3.78Å; E109-K111 PolarHBondContact OE2-NZ 3.27Å; K111-W120 CarbonylContact O-C 3.59Å; K111-W120 WeakPolarHBondContact O-CA 3.42Å; K111-V121 PolarHBondContact N-O 3.02Å; K111-V121 PolarHBondContact O-N 3.08Å
112	P	95.1	Very high	94.4	Very high	91 Å²	91	56.3 Å²	56.3	59%	0.591	32%	0.318	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-63.7	141.1	175.7	26.9	-32.6	0	0	0	110.1	W120	P112-W120 HydrophobicContact CB-CE3 4.27Å; P112-W120 HydrophobicContact CB-CZ3 3.83Å; P112-W120 HydrophobicContact CG-CZ3 4.39Å
113	N	89.5	Confident	94.3	Very high	55 Å²	55	59.9 Å²	59.9	29%	0.294	34%	0.337	S	S	.	.	P	Polyproline II helix	trans	-78	136.4	171.8	-168.7	36.3	0	0	0	110.2	G115 S116 A119 V121	N113-G115 PolarHBondContact O-N 3.37Å; N113-G115 VanDerWaalsContact O-N 3.11Å; N113-S116 PolarHBondContact O-N 3.44Å; N113-A119 HydrophobicContact CB-CB 4.12Å; N113-A119 PolarHBondContact N-O 2.93Å; N113-V121 HydrophobicContact CB-CG2 3.82Å
114	A	82.3	Confident	94.2	Very high	98 Å²	98	53.7 Å²	53.7	81%	0.81	31%	0.313	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.9	120.3	179.6	0	0	0	0	0	110.6
115	G	84.5	Confident	94.1	Very high	93 Å²	93	58.9 Å²	58.9	96%	0.959	34%	0.337	S	S	*	.	T	Hydrogen-bonded Turn	trans	85.7	8.6	179.2	0	0	0	0	0	116.1	N113	N113-G115 PolarHBondContact O-N 3.37Å; N113-G115 VanDerWaalsContact O-N 3.11Å
116	S	91.5	Very high	94.2	Very high	23 Å²	23	59.4 Å²	59.4	16%	0.161	35%	0.345	C	S	.	.			trans	-137.1	121.1	175.4	177.2	0	0	0	0	112.4	N113 R118 A119	N113-S116 PolarHBondContact O-N 3.44Å; S116-R118 VanDerWaalsContact C-N 3.3Å; S116-R118 VanDerWaalsContact OG-CG 3.3Å; S116-R118 WeakPolarHBondContact OG-CG 3.3Å; S116-R118 PolarHBondContact OG-N 2.86Å; S116-A119 WeakPolarHBondContact OG-CB 3.28Å; S116-A119 PolarHBondContact OG-N 3.47Å
117	D	93.4	Very high	94.4	Very high	110 Å²	110	58.4 Å²	58.4	59%	0.588	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.6	-15.1	170.8	62.2	-11.2	0	0	0	113.7	A145	D117-A145 HydrophobicContact CB-CB 4.26Å
118	R	96.2	Very high	94.6	Very high	106 Å²	106	57 Å²	57	40%	0.4	33%	0.329	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106	16.3	-177.2	60.3	176.7	160.3	178.1	-6	114.3	S116 R141 F142 A148	S116-R118 VanDerWaalsContact C-N 3.3Å; S116-R118 VanDerWaalsContact OG-CG 3.3Å; S116-R118 WeakPolarHBondContact OG-CG 3.3Å; S116-R118 PolarHBondContact OG-N 2.86Å; R118-R141 HydrophobicContact CG-CG 4.11Å; R118-R141 WeakPolarHBondContact O-CA 3.4Å; R118-F142 WeakPolarHBondContact CD-O 2.99Å; R118-F142 PolarHBondContact O-N 3.23Å; R118-A148 HydrophobicContact CB-CB 4.46Å
119	A	97.3	Very high	94.7	Very high	5 Å²	5	57.2 Å²	57.2	4%	0.041	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.5	141.6	-177.1	0	0	0	0	0	113.4	N113 S116 I140 R141	N113-A119 HydrophobicContact CB-CB 4.12Å; N113-A119 PolarHBondContact N-O 2.93Å; S116-A119 WeakPolarHBondContact OG-CB 3.28Å; S116-A119 PolarHBondContact OG-N 3.47Å; A119-I140 CarbonylContact C-O 3.58Å; A119-I140 WeakPolarHBondContact CA-O 3.42Å; A119-I140 WeakPolarHBondContact CB-O 3.41Å; A119-R141 HydrophobicContact CB-CB 4.16Å; A119-R141 HydrophobicContact CB-CG 4.24Å
120	W	98	Very high	94.7	Very high	12 Å²	12	55.5 Å²	55.5	5%	0.045	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	148.1	176.4	-57	111	0	0	0	110.8	L110 K111 P112 A139 I140 A148 F151 K152	L110-W120 HydrophobicContact CB-CB 4.23Å; L110-W120 HydrophobicContact CB-CD2 4.43Å; L110-W120 HydrophobicContact CB-CE3 4.36Å; L110-W120 HydrophobicContact CB-CG 4.37Å; L110-W120 HydrophobicContact CD1-CG 4.41Å; L110-W120 HydrophobicContact CD2-CB 4.16Å; K111-W120 CarbonylContact O-C 3.59Å; K111-W120 WeakPolarHBondContact O-CA 3.42Å; P112-W120 HydrophobicContact CB-CE3 4.27Å; P112-W120 HydrophobicContact CB-CZ3 3.83Å; P112-W120 HydrophobicContact CG-CZ3 4.39Å; W120-A139 CarbonylContact O-C 3.52Å; W120-A139 VanDerWaalsContact O-CA 3.23Å; W120-A139 WeakPolarHBondContact O-CA 3.48Å; W120-I140 HydrophobicContact CB-CG2 4.23Å; W120-I140 PolarHBondContact N-O 2.91Å; W120-I140 PolarHBondContact O-N 3.18Å; W120-A148 PolarHBondContact NE1-O 3.21Å; W120-F151 AromaticContact CD1-CD1 3.86Å; W120-K152 HydrophobicContact CD2-CB 4.5Å; W120-K152 HydrophobicContact CD2-CD 4.21Å; W120-K152 HydrophobicContact CE3-CD 4.15Å; W120-K152 HydrophobicContact CH2-CD 3.33Å; W120-K152 HydrophobicContact CZ2-CB 3.87Å; W120-K152 HydrophobicContact CZ2-CD 3.33Å; W120-K152 HydrophobicContact CZ2-CG 4.21Å; W120-K152 HydrophobicContact CZ3-CD 3.75Å
121	V	97.8	Very high	94.6	Very high	20 Å²	20	63.2 Å²	63.2	12%	0.121	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	135.8	178.2	-177.4	0	0	0	0	108.9	W67 K111 N113 L137 L138 A139	W67-V121 HydrophobicContact CH2-CG1 3.83Å; W67-V121 HydrophobicContact CH2-CG2 4.35Å; W67-V121 HydrophobicContact CZ2-CG1 4.22Å; W67-V121 HydrophobicContact CZ2-CG2 4.32Å; K111-V121 PolarHBondContact N-O 3.02Å; K111-V121 PolarHBondContact O-N 3.08Å; N113-V121 HydrophobicContact CB-CG2 3.82Å; V121-L137 HydrophobicContact CG1-CD1 3.62Å; V121-L137 HydrophobicContact CG1-CG 4.11Å; V121-L138 CarbonylContact C-O 3.56Å; V121-L138 VanDerWaalsContact CA-O 3.27Å; V121-L138 WeakPolarHBondContact CA-O 3.23Å; V121-A139 HydrophobicContact CG2-CB 3.93Å
122	W	98	Very high	94.6	Very high	4 Å²	4	60.8 Å²	60.8	2%	0.015	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.1	158.6	172.9	72.6	104.1	0	0	0	111.7	L55 L88 H102 L110 L138 I140	L55-W122 HydrophobicContact CD1-CH2 3.82Å; L88-W122 HydrophobicContact CD1-CH2 4.38Å; L88-W122 HydrophobicContact CD1-CZ2 3.88Å; H102-W122 AromaticContact CE1-CZ2 3.89Å; H102-W122 AromaticContact CE1-NE1 3.67Å; H102-W122 AromaticContact NE2-CE2 3.77Å; H102-W122 AromaticContact NE2-CZ2 3.88Å; H102-W122 AromaticContact NE2-NE1 3.07Å; H102-W122 PolarHBondContact NE2-NE1 3Å; L110-W122 HydrophobicContact CD2-CB 3.96Å; L110-W122 HydrophobicContact CD2-CD2 3.99Å; L110-W122 HydrophobicContact CD2-CE3 3.81Å; L110-W122 HydrophobicContact CD2-CG 4.09Å; W122-L138 HydrophobicContact CD2-CB 4.25Å; W122-L138 HydrophobicContact CE3-CB 4.35Å; W122-L138 HydrophobicContact CH2-CB 3.98Å; W122-L138 HydrophobicContact CZ2-CB 3.87Å; W122-L138 HydrophobicContact CZ2-CD1 3.8Å; W122-L138 HydrophobicContact CZ3-CB 4.19Å; W122-L138 PolarHBondContact N-O 3.35Å; W122-L138 PolarHBondContact O-N 2.79Å; W122-I140 HydrophobicContact CE3-CG2 4.46Å; W122-I140 HydrophobicContact CH2-CB 3.85Å; W122-I140 HydrophobicContact CH2-CG2 3.99Å; W122-I140 HydrophobicContact CZ3-CB 3.64Å; W122-I140 HydrophobicContact CZ3-CG2 3.45Å; W122-I140 VanDerWaalsContact CZ3-CG2 3.45Å
123	N	96.9	Very high	94.6	Very high	78 Å²	78	60.3 Å²	60.3	42%	0.417	36%	0.356	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	136.8	172.8	-169.3	-58.2	0	0	0	109.5	L137	N123-L137 HydrophobicContact CB-CD1 4.47Å
124	T	96.5	Very high	94.9	Very high	2 Å²	2	61.3 Å²	61.3	1%	0.012	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	132.1	167.4	178.5	0	0	0	0	109.7	H102 D127 P135 E136 L138	H102-T124 VanDerWaalsContact CB-OG1 3.32Å; H102-T124 WeakPolarHBondContact CB-OG1 3.33Å; H102-T124 VanDerWaalsContact CG-OG1 3.3Å; T124-D127 HydrophobicContact CG2-CB 3.85Å; T124-P135 CarbonylContact O-C 3.59Å; T124-P135 VanDerWaalsContact O-CA 3.31Å; T124-P135 WeakPolarHBondContact O-CA 3.25Å; T124-E136 HydrophobicContact CG2-CB 3.85Å; T124-E136 PolarHBondContact N-O 3.43Å; T124-E136 PolarHBondContact O-N 2.89Å; T124-L138 HydrophobicContact CG2-CD1 3.78Å; T124-L138 HydrophobicContact CG2-CG 4.24Å
125	H	95.2	Very high	95.6	Very high	114 Å²	114	61.4 Å²	61.4	53%	0.528	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.3	-23.2	-176.2	-69.2	-83.4	0	0	0	113.6	M107 K134 P135	M107-H125 WeakPolarHBondContact CE-CD2 3.32Å; M107-H125 WeakPolarHBondContact CE-NE2 3.23Å; H125-K134 CarbonylContact O-C 3.59Å; H125-P135 WeakPolarHBondContact O-CA 3.43Å
126	A	96.5	Very high	96.2	Very high	52 Å²	52	57.8 Å²	57.8	43%	0.43	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.2	68	-172.6	0	0	0	0	0	110.6	P133	A126-P133 HydrophobicContact CB-CB 4.04Å
127	D	97.9	Very high	96.4	Very high	2 Å²	2	59.5 Å²	59.5	1%	0.011	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133.3	164.9	-169.3	-93	0	0	0	110.5	A100 N101 H102 T124 A129 C132 P133 K134 E136	A100-D127 WeakPolarHBondContact CA-OD2 3.39Å; N101-D127 PolarHBondContact N-OD2 2.84Å; H102-D127 IonicContact CE1-OD2 3.48Å; H102-D127 IonicContact CG-OD2 3.47Å; H102-D127 IonicContact ND1-OD2 2.78Å; H102-D127 PolarHBondContact ND1-OD2 3.08Å; T124-D127 HydrophobicContact CG2-CB 3.85Å; D127-A129 WeakPolarHBondContact OD1-CB 3.48Å; D127-A129 PolarHBondContact OD1-N 2.83Å; D127-C132 VanDerWaalsContact O-O 3.1Å; D127-P133 WeakPolarHBondContact O-CA 3.46Å; D127-K134 PolarHBondContact N-O 3.28Å; D127-K134 PolarHBondContact O-N 2.86Å; D127-E136 HydrophobicContact CB-CB 4.42Å; D127-E136 HydrophobicContact CB-CG 4.01Å
128	F	97.8	Very high	96.6	Very high	95 Å²	95	54.3 Å²	54.3	42%	0.417	29%	0.288	S	S	.	.			trans	-115.2	25.2	-173.7	-157.5	-101.3	0	0	0	112.1	N101 D130 E131 P133	N101-F128 HydrophobicContact CB-CB 4.48Å; N101-F128 WeakPolarHBondContact O-CB 3.29Å; N101-F128 PolarHBondContact O-N 3.35Å; F128-D130 VanDerWaalsContact C-N 3.27Å; F128-D130 PolarHBondContact O-N 3.14Å; F128-E131 HydrophobicContact CE1-CB 4.46Å; F128-E131 VanDerWaalsContact CE2-C 3.46Å; F128-E131 WeakPolarHBondContact CE2-O 3.31Å; F128-E131 VanDerWaalsContact CZ-C 3.41Å; F128-E131 WeakPolarHBondContact CZ-O 3.49Å; F128-E131 PolarHBondContact O-N 3.43Å; F128-P133 HydrophobicContact CD2-CB 4.36Å
129	A	96.7	Very high	96.7	Very high	13 Å²	13	49.5 Å²	49.5	11%	0.107	27%	0.271	C	S	.	.	T	Hydrogen-bonded Turn	trans	-65.6	-29	-179.8	0	0	0	0	0	113.8	I98 D127	I98-A129 HydrophobicContact CG2-CB 3.92Å; D127-A129 WeakPolarHBondContact OD1-CB 3.48Å; D127-A129 PolarHBondContact OD1-N 2.83Å
130	D	95	Very high	96.8	Very high	71 Å²	71	49.3 Å²	49.3	38%	0.38	27%	0.269	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103	27.7	178.6	-49.6	-30.1	0	0	0	112	R70 F128 C132 K134	R70-D130 IonicContact CZ-OD1 3.93Å; R70-D130 IonicContact CZ-OD2 3.99Å; R70-D130 IonicContact NH2-OD1 2.94Å; R70-D130 PolarHBondContact NH2-OD1 3.25Å; R70-D130 IonicContact NH2-OD2 2.84Å; R70-D130 PolarHBondContact NH2-OD2 3.05Å; F128-D130 VanDerWaalsContact C-N 3.27Å; F128-D130 PolarHBondContact O-N 3.14Å; D130-C132 PolarHBondContact O-N 3.35Å; D130-K134 IonicContact OD2-NZ 2.78Å; D130-K134 PolarHBondContact OD2-NZ 2.87Å
131	E	95	Very high	96.7	Very high	170 Å²	170	53.2 Å²	53.2	79%	0.794	28%	0.284	S	S	*	.	S	Bend	trans	60.7	15.8	178.5	-55.2	174.9	169.4	0	0	114.7	F128	F128-E131 HydrophobicContact CE1-CB 4.46Å; F128-E131 VanDerWaalsContact CE2-C 3.46Å; F128-E131 WeakPolarHBondContact CE2-O 3.31Å; F128-E131 VanDerWaalsContact CZ-C 3.41Å; F128-E131 WeakPolarHBondContact CZ-O 3.49Å; F128-E131 PolarHBondContact O-N 3.43Å
132	C	95.4	Very high	96.8	Very high	63 Å²	63	52.6 Å²	52.6	43%	0.426	28%	0.279	S	S	.	.	S	Bend	trans	-142.9	131.9	177.9	178.8	0	0	0	0	108.6	D127 D130 K134	D127-C132 VanDerWaalsContact O-O 3.1Å; D130-C132 PolarHBondContact O-N 3.35Å; C132-K134 PolarHBondContact O-N 2.97Å
133	P	96.3	Very high	96.7	Very high	81 Å²	81	58.9 Å²	58.9	53%	0.526	31%	0.312	S	S	.	.			trans	-69	119.8	-177.9	29	-33.2	0	0	0	110.2	A126 D127 F128	A126-P133 HydrophobicContact CB-CB 4.04Å; D127-P133 WeakPolarHBondContact O-CA 3.46Å; F128-P133 HydrophobicContact CD2-CB 4.36Å
134	K	95.6	Very high	96.7	Very high	76 Å²	76	58.1 Å²	58.1	33%	0.33	31%	0.308	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	137.5	179.4	-65.2	175.9	-170.5	174.4	0	111.2	H125 D127 D130 C132 E136	H125-K134 CarbonylContact O-C 3.59Å; D127-K134 PolarHBondContact N-O 3.28Å; D127-K134 PolarHBondContact O-N 2.86Å; D130-K134 IonicContact OD2-NZ 2.78Å; D130-K134 PolarHBondContact OD2-NZ 2.87Å; C132-K134 PolarHBondContact O-N 2.97Å; K134-E136 HydrophobicContact CB-CG 4.25Å; K134-E136 PolarHBondContact O-N 3.11Å
135	P	96.3	Very high	96.7	Very high	99 Å²	99	59.6 Å²	59.6	64%	0.643	32%	0.321	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-71	127.7	166.8	30	-32.4	0	0	0	109.2	T124 H125	T124-P135 CarbonylContact O-C 3.59Å; T124-P135 VanDerWaalsContact O-CA 3.31Å; T124-P135 WeakPolarHBondContact O-CA 3.25Å; H125-P135 WeakPolarHBondContact O-CA 3.43Å
136	E	96	Very high	96.8	Very high	18 Å²	18	59.7 Å²	59.7	8%	0.084	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.3	136.9	-174	-67.5	-77.2	-153	0	0	110.6	R57 R70 T124 D127 K134 L138	R57-E136 WeakPolarHBondContact CD-OE1 3.36Å; R57-E136 WeakPolarHBondContact CD-OE2 3.32Å; R57-E136 WeakPolarHBondContact CG-OE2 3.4Å; R70-E136 IonicContact CZ-OE1 2.78Å; R70-E136 IonicContact NH1-OE1 3.69Å; R70-E136 PolarHBondContact NH1-OE1 3.32Å; R70-E136 IonicContact NH2-OE1 2.89Å; T124-E136 HydrophobicContact CG2-CB 3.85Å; T124-E136 PolarHBondContact N-O 3.43Å; T124-E136 PolarHBondContact O-N 2.89Å; D127-E136 HydrophobicContact CB-CB 4.42Å; D127-E136 HydrophobicContact CB-CG 4.01Å; K134-E136 HydrophobicContact CB-CG 4.25Å; K134-E136 PolarHBondContact O-N 3.11Å; E136-L138 HydrophobicContact CB-CD2 3.95Å; E136-L138 HydrophobicContact CB-CG 4.01Å
137	L	97.1	Very high	96.9	Very high	59 Å²	59	58.7 Å²	58.7	31%	0.309	31%	0.309	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	109.1	164.1	180	68.1	0	0	0	107.6	F58 W67 V121 N123	F58-L137 HydrophobicContact CB-CB 3.91Å; F58-L137 HydrophobicContact CB-CD2 3.86Å; F58-L137 HydrophobicContact CB-CG 4.08Å; F58-L137 HydrophobicContact CD1-CD2 3.91Å; F58-L137 HydrophobicContact CG-CD2 3.94Å; F58-L137 PolarHBondContact N-O 2.77Å; W67-L137 HydrophobicContact CH2-CD2 4.16Å; W67-L137 HydrophobicContact CH2-CG 3.93Å; W67-L137 HydrophobicContact CZ2-CD2 4.45Å; W67-L137 WeakPolarHBondContact CZ3-O 3.44Å; V121-L137 HydrophobicContact CG1-CD1 3.62Å; V121-L137 HydrophobicContact CG1-CG 4.11Å; N123-L137 HydrophobicContact CB-CD1 4.47Å
138	L	97.9	Very high	96.9	Very high	1 Å²	1	58.6 Å²	58.6	1%	0.005	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	144.2	-173.5	-62.6	178.3	0	0	0	110.5	L55 F56 R57 V121 W122 T124 E136	L55-L138 HydrophobicContact CD1-CB 4.31Å; F56-L138 WeakPolarHBondContact O-CA 3.31Å; R57-L138 HydrophobicContact CB-CD2 4.31Å; V121-L138 CarbonylContact C-O 3.56Å; V121-L138 VanDerWaalsContact CA-O 3.27Å; V121-L138 WeakPolarHBondContact CA-O 3.23Å; W122-L138 HydrophobicContact CD2-CB 4.25Å; W122-L138 HydrophobicContact CE3-CB 4.35Å; W122-L138 HydrophobicContact CH2-CB 3.98Å; W122-L138 HydrophobicContact CZ2-CB 3.87Å; W122-L138 HydrophobicContact CZ2-CD1 3.8Å; W122-L138 HydrophobicContact CZ3-CB 4.19Å; W122-L138 PolarHBondContact N-O 3.35Å; W122-L138 PolarHBondContact O-N 2.79Å; T124-L138 HydrophobicContact CG2-CD1 3.78Å; T124-L138 HydrophobicContact CG2-CG 4.24Å; E136-L138 HydrophobicContact CB-CD2 3.95Å; E136-L138 HydrophobicContact CB-CG 4.01Å
139	A	97.8	Very high	96.8	Very high	5 Å²	5	58.3 Å²	58.3	4%	0.041	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.7	135.5	166.5	0	0	0	0	0	109.8	L55 F56 W67 W120 V121	L55-A139 CarbonylContact C-O 3.58Å; L55-A139 WeakPolarHBondContact CA-O 2.85Å; F56-A139 HydrophobicContact CB-CB 4.27Å; F56-A139 PolarHBondContact N-O 2.96Å; F56-A139 PolarHBondContact O-N 2.91Å; W67-A139 HydrophobicContact CE3-CB 3.93Å; W67-A139 HydrophobicContact CH2-CB 3.63Å; W67-A139 HydrophobicContact CZ2-CB 4.25Å; W67-A139 HydrophobicContact CZ3-CB 3.46Å; W67-A139 VanDerWaalsContact CZ3-CB 3.46Å; W120-A139 CarbonylContact O-C 3.52Å; W120-A139 VanDerWaalsContact O-CA 3.23Å; W120-A139 WeakPolarHBondContact O-CA 3.48Å; V121-A139 HydrophobicContact CG2-CB 3.93Å
140	I	98.3	Very high	96.9	Very high	0 Å²	0	62.2 Å²	62.2	0%	0	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.4	176.2	-165	165.7	0	0	0	109.3	A53 K54 L55 V75 A119 W120 W122 F142 F151	A53-I140 HydrophobicContact CB-CD1 3.65Å; A53-I140 HydrophobicContact CB-CG1 3.6Å; K54-I140 WeakPolarHBondContact O-CA 3.45Å; L55-I140 HydrophobicContact CD1-CB 4.21Å; L55-I140 HydrophobicContact CD1-CG1 4.47Å; V75-I140 HydrophobicContact CB-CD1 3.95Å; V75-I140 HydrophobicContact CG1-CD1 3.79Å; V75-I140 HydrophobicContact CG2-CD1 4.02Å; A119-I140 CarbonylContact C-O 3.58Å; A119-I140 WeakPolarHBondContact CA-O 3.42Å; A119-I140 WeakPolarHBondContact CB-O 3.41Å; W120-I140 HydrophobicContact CB-CG2 4.23Å; W120-I140 PolarHBondContact N-O 2.91Å; W120-I140 PolarHBondContact O-N 3.18Å; W122-I140 HydrophobicContact CE3-CG2 4.46Å; W122-I140 HydrophobicContact CH2-CB 3.85Å; W122-I140 HydrophobicContact CH2-CG2 3.99Å; W122-I140 HydrophobicContact CZ3-CB 3.64Å; W122-I140 HydrophobicContact CZ3-CG2 3.45Å; W122-I140 VanDerWaalsContact CZ3-CG2 3.45Å; I140-F142 HydrophobicContact CB-CE2 4.47Å; I140-F142 HydrophobicContact CD1-CE1 4.34Å; I140-F142 HydrophobicContact CD1-CE2 4.34Å; I140-F142 HydrophobicContact CD1-CZ 3.73Å; I140-F142 HydrophobicContact CG1-CE2 4.09Å; I140-F142 HydrophobicContact CG1-CZ 3.92Å; I140-F142 HydrophobicContact CG2-CE2 3.67Å; I140-F142 HydrophobicContact CG2-CZ 4.09Å; I140-F151 HydrophobicContact CD1-CZ 4.45Å; I140-F151 HydrophobicContact CG2-CD1 4.34Å; I140-F151 HydrophobicContact CG2-CE1 3.89Å; I140-F151 HydrophobicContact CG2-CZ 4.41Å
141	R	97.8	Very high	97.1	Very high	95 Å²	95	58.8 Å²	58.8	36%	0.358	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	132.8	178.5	-172.8	174.4	67.3	-173.8	0.7	110.5	K54 F56 R118 A119	K54-R141 PolarHBondContact N-O 3.47Å; K54-R141 PolarHBondContact O-N 2.9Å; F56-R141 HydrophobicContact CE2-CB 4.04Å; R118-R141 HydrophobicContact CG-CG 4.11Å; R118-R141 WeakPolarHBondContact O-CA 3.4Å; A119-R141 HydrophobicContact CB-CB 4.16Å; A119-R141 HydrophobicContact CB-CG 4.24Å
142	F	98.2	Very high	97.2	Very high	6 Å²	6	53 Å²	53	3%	0.026	28%	0.277	C	S	.	.			trans	-104.3	170.1	177.9	-62.3	-85.1	0	0	0	111.4	M51 A53 V75 R118 I140 N144 N147 A148 F151	M51-F142 HydrophobicContact CB-CE1 4.36Å; M51-F142 HydrophobicContact CG-CD1 4.16Å; M51-F142 HydrophobicContact CG-CE1 4.31Å; M51-F142 HydrophobicContact SD-CD1 3.85Å; M51-F142 HydrophobicContact SD-CE1 4.15Å; A53-F142 HydrophobicContact CB-CD1 3.98Å; A53-F142 HydrophobicContact CB-CE1 3.72Å; A53-F142 HydrophobicContact CB-CZ 4.3Å; V75-F142 HydrophobicContact CG1-CE1 4.01Å; V75-F142 HydrophobicContact CG1-CZ 4.3Å; R118-F142 WeakPolarHBondContact CD-O 2.99Å; R118-F142 PolarHBondContact O-N 3.23Å; I140-F142 HydrophobicContact CB-CE2 4.47Å; I140-F142 HydrophobicContact CD1-CE1 4.34Å; I140-F142 HydrophobicContact CD1-CE2 4.34Å; I140-F142 HydrophobicContact CD1-CZ 3.73Å; I140-F142 HydrophobicContact CG1-CE2 4.09Å; I140-F142 HydrophobicContact CG1-CZ 3.92Å; I140-F142 HydrophobicContact CG2-CE2 3.67Å; I140-F142 HydrophobicContact CG2-CZ 4.09Å; F142-N144 PolarHBondContact O-N 2.99Å; F142-N147 HydrophobicContact CB-CB 3.91Å; F142-N147 HydrophobicContact CG-CB 4.41Å; F142-A148 HydrophobicContact CB-CB 4.26Å; F142-A148 HydrophobicContact CD2-CB 3.73Å; F142-A148 HydrophobicContact CG-CB 4.33Å; F142-F151 HydrophobicContact CE1-CB 4.01Å; F142-F151 HydrophobicContact CE1-CD2 4.39Å; F142-F151 HydrophobicContact CE1-CG 4.2Å; F142-F151 HydrophobicContact CE2-CB 3.67Å; F142-F151 AromaticContact CE2-CD1 3.64Å; F142-F151 HydrophobicContact CE2-CD1 3.64Å; F142-F151 HydrophobicContact CE2-CD2 4.47Å; F142-F151 HydrophobicContact CE2-CE1 4.4Å; F142-F151 AromaticContact CE2-CG 3.67Å; F142-F151 HydrophobicContact CE2-CG 3.67Å; F142-F151 HydrophobicContact CZ-CB 3.37Å; F142-F151 AromaticContact CZ-CD1 3.64Å; F142-F151 HydrophobicContact CZ-CD1 3.64Å; F142-F151 AromaticContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CE1 4.3Å; F142-F151 HydrophobicContact CZ-CE2 4.31Å; F142-F151 AromaticContact CZ-CG 3.25Å; F142-F151 HydrophobicContact CZ-CG 3.25Å
143	L	97	Very high	97.3	Very high	137 Å²	137	53.4 Å²	53.4	72%	0.717	28%	0.277	S	S	*	.	S	Bend	trans	-57.7	-48	179.6	-179.8	61.7	0	0	0	112
144	N	96.7	Very high	97.3	Very high	61 Å²	61	53.2 Å²	53.2	33%	0.326	27%	0.268	S	S	.	.	S	Bend	trans	-140.1	170.4	-175.8	61.2	32.3	0	0	0	111	F142 E146 N147 A148	F142-N144 PolarHBondContact O-N 2.99Å; N144-E146 VanDerWaalsContact C-N 3.35Å; N144-E146 PolarHBondContact O-N 2.8Å; N144-E146 PolarHBondContact OD1-N 2.8Å; N144-N147 PolarHBondContact O-N 2.98Å; N144-N147 WeakPolarHBondContact OD1-CB 3.29Å; N144-N147 PolarHBondContact OD1-N 2.86Å; N144-A148 PolarHBondContact O-N 2.86Å
145	A	96.7	Very high	97.5	Very high	34 Å²	34	49.7 Å²	49.7	28%	0.281	25%	0.253	S	S	.	.	H	α-helix	trans	-63.8	-37.1	-179.6	0	0	0	0	0	112.8	D117 N147 A148 Q149	D117-A145 HydrophobicContact CB-CB 4.26Å; A145-N147 PolarHBondContact O-N 3.37Å; A145-A148 WeakPolarHBondContact O-CB 3.17Å; A145-A148 PolarHBondContact O-N 3.29Å; A145-Q149 WeakPolarHBondContact O-CG 3.32Å; A145-Q149 PolarHBondContact O-N 2.89Å
146	E	97.5	Very high	97.5	Very high	115 Å²	115	48.1 Å²	48.1	54%	0.537	24%	0.237	S	C	.	.	H	α-helix	trans	-59.2	-46.6	179.1	-171.2	-167.3	157.3	0	0	111.7	N144 A148 Q149 K150	N144-E146 VanDerWaalsContact C-N 3.35Å; N144-E146 PolarHBondContact O-N 2.8Å; N144-E146 PolarHBondContact OD1-N 2.8Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.9Å; E146-Q149 PolarHBondContact O-N 2.96Å; E146-K150 WeakPolarHBondContact O-CG 3.38Å; E146-K150 PolarHBondContact O-N 2.87Å; E146-K150 WeakPolarHBondContact OE1-CE 3.4Å; E146-K150 IonicContact OE1-NZ 3.88Å; E146-K150 PolarHBondContact OE1-NZ 2.93Å
147	N	97.7	Very high	97.5	Very high	32 Å²	32	51.8 Å²	51.8	17%	0.171	25%	0.254	C	S	.	.	H	α-helix	trans	-63	-40.4	176.6	-77.3	-0.9	0	0	0	111.8	M51 F142 N144 A145 K150 F151	M51-N147 HydrophobicContact CE-CB 4.36Å; M51-N147 HydrophobicContact SD-CB 3.43Å; M51-N147 WeakPolarHBondContact SD-CB 3.17Å; F142-N147 HydrophobicContact CB-CB 3.91Å; F142-N147 HydrophobicContact CG-CB 4.41Å; N144-N147 PolarHBondContact O-N 2.98Å; N144-N147 WeakPolarHBondContact OD1-CB 3.29Å; N144-N147 PolarHBondContact OD1-N 2.86Å; A145-N147 PolarHBondContact O-N 3.37Å; N147-K150 PolarHBondContact O-N 2.84Å; N147-F151 PolarHBondContact O-N 2.89Å
148	A	97.5	Very high	97.5	Very high	0 Å²	0	49.2 Å²	49.2	0%	0	24%	0.241	C	C	.	.	H	α-helix	trans	-62.6	-41.9	174.8	0	0	0	0	0	111.8	R118 W120 F142 N144 A145 E146 F151 K152	R118-A148 HydrophobicContact CB-CB 4.46Å; W120-A148 PolarHBondContact NE1-O 3.21Å; F142-A148 HydrophobicContact CB-CB 4.26Å; F142-A148 HydrophobicContact CD2-CB 3.73Å; F142-A148 HydrophobicContact CG-CB 4.33Å; N144-A148 PolarHBondContact O-N 2.86Å; A145-A148 WeakPolarHBondContact O-CB 3.17Å; A145-A148 PolarHBondContact O-N 3.29Å; E146-A148 VanDerWaalsContact C-N 3.33Å; E146-A148 PolarHBondContact O-N 2.9Å; A148-F151 PolarHBondContact O-N 2.83Å; A148-K152 PolarHBondContact O-N 2.82Å
149	Q	97.3	Very high	97.4	Very high	88 Å²	88	52.6 Å²	52.6	41%	0.411	25%	0.254	S	S	.	.	H	α-helix	trans	-65.3	-43.6	175.6	-64.9	-54.8	-34.1	0	0	111.9	A145 E146 F151 K152 T153	A145-Q149 WeakPolarHBondContact O-CG 3.32Å; A145-Q149 PolarHBondContact O-N 2.89Å; E146-Q149 PolarHBondContact O-N 2.96Å; Q149-F151 VanDerWaalsContact C-N 3.3Å; Q149-F151 PolarHBondContact O-N 3.16Å; Q149-K152 PolarHBondContact O-N 2.88Å; Q149-K152 VanDerWaalsContact O-N 3.08Å; Q149-T153 PolarHBondContact O-N 2.83Å; Q149-T153 PolarHBondContact O-OG1 2.74Å; Q149-T153 VanDerWaalsContact O-OG1 3.12Å
150	K	97.9	Very high	97.3	Very high	95 Å²	95	58.2 Å²	58.2	41%	0.413	28%	0.277	S	S	.	.	H	α-helix	trans	-55.6	-45.2	175.2	-73.8	175.3	-175.9	166	0	112	F49 M51 E146 N147 K154	F49-K150 HydrophobicContact CE2-CB 4.34Å; M51-K150 HydrophobicContact CE-CB 4.29Å; M51-K150 HydrophobicContact CE-CD 4.27Å; E146-K150 WeakPolarHBondContact O-CG 3.38Å; E146-K150 PolarHBondContact O-N 2.87Å; E146-K150 WeakPolarHBondContact OE1-CE 3.4Å; E146-K150 IonicContact OE1-NZ 3.88Å; E146-K150 PolarHBondContact OE1-NZ 2.93Å; N147-K150 PolarHBondContact O-N 2.84Å; K150-K154 PolarHBondContact O-N 2.76Å; K150-K154 VanDerWaalsContact O-N 3.08Å
151	F	98.1	Very high	97.2	Very high	0 Å²	0	61.6 Å²	61.6	0%	0	29%	0.293	C	S	.	.	H	α-helix	trans	-61	-47.4	174.6	173.4	-101.5	0	0	0	111.7	F49 V75 L77 L88 L110 W120 I140 F142 N147 A148 Q149 T153 K154 F155	F49-F151 HydrophobicContact CD1-CD2 4.08Å; F49-F151 HydrophobicContact CE1-CB 4.12Å; F49-F151 AromaticContact CE1-CD2 3.59Å; F49-F151 HydrophobicContact CE1-CD2 3.59Å; F49-F151 HydrophobicContact CE1-CG 4.35Å; F49-F151 HydrophobicContact CZ-CB 3.8Å; F49-F151 HydrophobicContact CZ-CD2 4.16Å; V75-F151 HydrophobicContact CG1-CD2 4.44Å; V75-F151 HydrophobicContact CG1-CE2 4.41Å; V75-F151 HydrophobicContact CG2-CE2 4.19Å; L77-F151 HydrophobicContact CD2-CE2 4.37Å; L88-F151 HydrophobicContact CD1-CE2 4.19Å; L88-F151 HydrophobicContact CD1-CZ 3.9Å; L110-F151 HydrophobicContact CD1-CD1 4.04Å; L110-F151 HydrophobicContact CD1-CE1 3.74Å; L110-F151 HydrophobicContact CD2-CE1 4.19Å; W120-F151 AromaticContact CD1-CD1 3.86Å; I140-F151 HydrophobicContact CD1-CZ 4.45Å; I140-F151 HydrophobicContact CG2-CD1 4.34Å; I140-F151 HydrophobicContact CG2-CE1 3.89Å; I140-F151 HydrophobicContact CG2-CZ 4.41Å; F142-F151 HydrophobicContact CE1-CB 4.01Å; F142-F151 HydrophobicContact CE1-CD2 4.39Å; F142-F151 HydrophobicContact CE1-CG 4.2Å; F142-F151 HydrophobicContact CE2-CB 3.67Å; F142-F151 AromaticContact CE2-CD1 3.64Å; F142-F151 HydrophobicContact CE2-CD1 3.64Å; F142-F151 HydrophobicContact CE2-CD2 4.47Å; F142-F151 HydrophobicContact CE2-CE1 4.4Å; F142-F151 AromaticContact CE2-CG 3.67Å; F142-F151 HydrophobicContact CE2-CG 3.67Å; F142-F151 HydrophobicContact CZ-CB 3.37Å; F142-F151 AromaticContact CZ-CD1 3.64Å; F142-F151 HydrophobicContact CZ-CD1 3.64Å; F142-F151 AromaticContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CD2 3.65Å; F142-F151 HydrophobicContact CZ-CE1 4.3Å; F142-F151 HydrophobicContact CZ-CE2 4.31Å; F142-F151 AromaticContact CZ-CG 3.25Å; F142-F151 HydrophobicContact CZ-CG 3.25Å; N147-F151 PolarHBondContact O-N 2.89Å; A148-F151 PolarHBondContact O-N 2.83Å; Q149-F151 VanDerWaalsContact C-N 3.3Å; Q149-F151 PolarHBondContact O-N 3.16Å; F151-T153 PolarHBondContact O-N 2.89Å; F151-K154 PolarHBondContact O-N 3.44Å; F151-F155 HydrophobicContact CE1-CD2 4.36Å; F151-F155 HydrophobicContact CE2-CD2 4.46Å; F151-F155 AromaticContact CZ-CD2 3.88Å; F151-F155 HydrophobicContact CZ-CD2 3.88Å; F151-F155 VanDerWaalsContact O-CB 3.32Å; F151-F155 WeakPolarHBondContact O-CB 3.18Å; F151-F155 PolarHBondContact O-N 3.07Å
152	K	97.2	Very high	97	Very high	48 Å²	48	57.8 Å²	57.8	21%	0.209	28%	0.28	C	S	.	.	H	α-helix	trans	-59.8	-47.6	179.6	176.4	170.8	177.5	177.1	0	112.1	L110 W120 A148 Q149 K154 F155 E156	L110-K152 HydrophobicContact CD1-CB 4.08Å; L110-K152 HydrophobicContact CD1-CG 4.11Å; W120-K152 HydrophobicContact CD2-CB 4.5Å; W120-K152 HydrophobicContact CD2-CD 4.21Å; W120-K152 HydrophobicContact CE3-CD 4.15Å; W120-K152 HydrophobicContact CH2-CD 3.33Å; W120-K152 HydrophobicContact CZ2-CB 3.87Å; W120-K152 HydrophobicContact CZ2-CD 3.33Å; W120-K152 HydrophobicContact CZ2-CG 4.21Å; W120-K152 HydrophobicContact CZ3-CD 3.75Å; A148-K152 PolarHBondContact O-N 2.82Å; Q149-K152 PolarHBondContact O-N 2.88Å; Q149-K152 VanDerWaalsContact O-N 3.08Å; K152-K154 VanDerWaalsContact C-N 3.34Å; K152-K154 PolarHBondContact O-N 2.79Å; K152-F155 PolarHBondContact O-N 2.9Å; K152-E156 WeakPolarHBondContact CE-OE1 3.43Å; K152-E156 HydrophobicContact CG-CG 4.39Å; K152-E156 IonicContact NZ-OE1 3.72Å; K152-E156 WeakPolarHBondContact O-CB 3.22Å; K152-E156 WeakPolarHBondContact O-CG 3.45Å; K152-E156 PolarHBondContact O-N 3.5Å
153	T	97.8	Very high	96.8	Very high	71 Å²	71	60.7 Å²	60.7	44%	0.436	29%	0.293	S	S	.	.	H	α-helix	trans	-56.9	-48.4	176.9	-57.8	0	0	0	0	110.9	Q149 F151 E156 E157	Q149-T153 PolarHBondContact O-N 2.83Å; Q149-T153 PolarHBondContact O-OG1 2.74Å; Q149-T153 VanDerWaalsContact O-OG1 3.12Å; F151-T153 PolarHBondContact O-N 2.89Å; T153-E156 PolarHBondContact O-N 3.49Å; T153-E157 WeakPolarHBondContact O-CG 3.26Å; T153-E157 PolarHBondContact O-N 2.64Å
154	K	97.8	Very high	96.6	Very high	78 Å²	78	59.5 Å²	59.5	34%	0.339	28%	0.284	S	S	.	.	H	α-helix	trans	-66.2	-38.5	178.5	-74.3	-58.6	-173.2	-172.7	0	113.8	F49 L77 K150 F151 K152 E157 C158	F49-K154 HydrophobicContact CB-CB 4.29Å; F49-K154 HydrophobicContact CB-CG 4.42Å; F49-K154 HydrophobicContact CD2-CB 4.01Å; F49-K154 HydrophobicContact CD2-CG 3.73Å; F49-K154 HydrophobicContact CE2-CG 4.38Å; F49-K154 HydrophobicContact CG-CB 4.28Å; F49-K154 HydrophobicContact CG-CG 4.39Å; L77-K154 HydrophobicContact CD1-CB 4.22Å; K150-K154 PolarHBondContact O-N 2.76Å; K150-K154 VanDerWaalsContact O-N 3.08Å; F151-K154 PolarHBondContact O-N 3.44Å; K152-K154 VanDerWaalsContact C-N 3.34Å; K152-K154 PolarHBondContact O-N 2.79Å; K154-E157 VanDerWaalsContact CD-OE2 3.25Å; K154-E157 WeakPolarHBondContact CD-OE2 3.25Å; K154-E157 IonicContact NZ-OE2 3.52Å; K154-E157 PolarHBondContact NZ-OE2 2.84Å; K154-E157 PolarHBondContact O-N 2.86Å; K154-C158 PolarHBondContact O-N 2.93Å; K154-C158 PolarHBondContact O-SG 3.11Å
155	F	98	Very high	96.3	Very high	1 Å²	1	61.9 Å²	61.9	0%	0.004	29%	0.289	C	S	.	.	H	α-helix	trans	-64.4	-43.5	175.8	-170.8	-81.5	0	0	0	111.5	L77 L88 I104 M108 L110 F151 K152 C158 R159	L77-F155 HydrophobicContact CD1-CB 4.49Å; L77-F155 HydrophobicContact CD2-CD2 4.43Å; L88-F155 HydrophobicContact CD1-CE2 4.25Å; I104-F155 HydrophobicContact CD1-CD2 3.86Å; I104-F155 HydrophobicContact CD1-CE2 3.82Å; I104-F155 HydrophobicContact CD1-CG 4.43Å; I104-F155 HydrophobicContact CD1-CZ 4.36Å; I104-F155 HydrophobicContact CG1-CD2 4.43Å; I104-F155 HydrophobicContact CG1-CE2 3.89Å; I104-F155 HydrophobicContact CG1-CZ 4.2Å; I104-F155 HydrophobicContact CG2-CE1 4.22Å; I104-F155 HydrophobicContact CG2-CZ 4.06Å; M108-F155 HydrophobicContact CB-CE1 4.12Å; M108-F155 HydrophobicContact CB-CZ 4.12Å; M108-F155 HydrophobicContact SD-CZ 4.02Å; L110-F155 HydrophobicContact CD1-CB 3.66Å; L110-F155 HydrophobicContact CD1-CD1 3.73Å; L110-F155 HydrophobicContact CD1-CD2 4.39Å; L110-F155 HydrophobicContact CD1-CE1 4.5Å; L110-F155 HydrophobicContact CD1-CG 3.67Å; L110-F155 HydrophobicContact CD2-CD1 4.22Å; L110-F155 HydrophobicContact CD2-CE1 4.2Å; L110-F155 HydrophobicContact CD2-CE2 4.49Å; L110-F155 HydrophobicContact CD2-CG 4.39Å; L110-F155 HydrophobicContact CD2-CZ 4.33Å; L110-F155 HydrophobicContact CG-CD1 3.71Å; L110-F155 HydrophobicContact CG-CE1 4.02Å; L110-F155 HydrophobicContact CG-CG 4.08Å; F151-F155 HydrophobicContact CE1-CD2 4.36Å; F151-F155 HydrophobicContact CE2-CD2 4.46Å; F151-F155 AromaticContact CZ-CD2 3.88Å; F151-F155 HydrophobicContact CZ-CD2 3.88Å; F151-F155 VanDerWaalsContact O-CB 3.32Å; F151-F155 WeakPolarHBondContact O-CB 3.18Å; F151-F155 PolarHBondContact O-N 3.07Å; K152-F155 PolarHBondContact O-N 2.9Å; F155-C158 PolarHBondContact O-N 2.8Å; F155-R159 WeakPolarHBondContact O-CB 3.09Å; F155-R159 PolarHBondContact O-N 2.86Å
156	E	97.1	Very high	95.9	Very high	66 Å²	66	65.8 Å²	65.8	31%	0.308	30%	0.301	S	S	.	.	H	α-helix	trans	-68	-37.7	177	-73	-178.8	-179.3	0	0	112.7	K152 T153 R159 K160	K152-E156 WeakPolarHBondContact CE-OE1 3.43Å; K152-E156 HydrophobicContact CG-CG 4.39Å; K152-E156 IonicContact NZ-OE1 3.72Å; K152-E156 WeakPolarHBondContact O-CB 3.22Å; K152-E156 WeakPolarHBondContact O-CG 3.45Å; K152-E156 PolarHBondContact O-N 3.5Å; T153-E156 PolarHBondContact O-N 3.49Å; E156-R159 PolarHBondContact O-N 2.83Å; E156-K160 WeakPolarHBondContact O-CB 3.49Å; E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 3.38Å; E156-K160 PolarHBondContact O-N 2.78Å
157	E	96.9	Very high	95.5	Very high	95 Å²	95	66.4 Å²	66.4	44%	0.444	30%	0.302	S	S	.	.	H	α-helix	trans	-57	-50.2	170.1	-77.6	173.7	-164.7	0	0	110.8	T153 K154 R159 K160 E161	T153-E157 WeakPolarHBondContact O-CG 3.26Å; T153-E157 PolarHBondContact O-N 2.64Å; K154-E157 VanDerWaalsContact CD-OE2 3.25Å; K154-E157 WeakPolarHBondContact CD-OE2 3.25Å; K154-E157 IonicContact NZ-OE2 3.52Å; K154-E157 PolarHBondContact NZ-OE2 2.84Å; K154-E157 PolarHBondContact O-N 2.86Å; E157-R159 PolarHBondContact O-N 3.39Å; E157-K160 PolarHBondContact O-N 3.26Å; E157-E161 PolarHBondContact O-N 2.83Å
158	C	96.8	Very high	95	Very high	5 Å²	5	72.3 Å²	72.3	3%	0.034	33%	0.326	C	S	.	.	H	α-helix	trans	-61.5	-44.6	178.1	-65.9	0	0	0	0	112	I86 I104 K154 F155 K160 E161 I162	I86-C158 HydrophobicContact CD1-CB 3.76Å; I86-C158 HydrophobicContact CG2-CB 4.01Å; I104-C158 HydrophobicContact CD1-CB 3.74Å; K154-C158 PolarHBondContact O-N 2.93Å; K154-C158 PolarHBondContact O-SG 3.11Å; F155-C158 PolarHBondContact O-N 2.8Å; C158-K160 PolarHBondContact O-N 2.86Å; C158-E161 PolarHBondContact O-N 3.49Å; C158-I162 WeakPolarHBondContact O-CG1 3.38Å; C158-I162 PolarHBondContact O-N 2.95Å; C158-I162 VanDerWaalsContact O-N 3.1Å
159	R	95.6	Very high	94.2	Very high	73 Å²	73	75.4 Å²	75.4	28%	0.275	35%	0.351	S	S	.	.	H	α-helix	trans	-58.9	-45.8	177.8	-179.3	-167	169	-155.8	0.1	111.6	I104 P106 M108 F155 E156 E157 I162 E163	I104-R159 HydrophobicContact CG2-CB 4.02Å; P106-R159 PolarHBondContact O-NE 2.86Å; P106-R159 PolarHBondContact O-NH2 2.83Å; M108-R159 WeakPolarHBondContact O-CD 3.42Å; M108-R159 VanDerWaalsContact O-CZ 3.24Å; M108-R159 PolarHBondContact O-NE 3.37Å; F155-R159 WeakPolarHBondContact O-CB 3.09Å; F155-R159 PolarHBondContact O-N 2.86Å; E156-R159 PolarHBondContact O-N 2.83Å; E157-R159 PolarHBondContact O-N 3.39Å; R159-I162 PolarHBondContact O-N 3.38Å; R159-E163 PolarHBondContact O-N 3.28Å
160	K	95.6	Very high	92.7	Very high	123 Å²	123	73 Å²	73	54%	0.535	35%	0.35	S	S	.	.	H	α-helix	trans	-63	-41.4	177.4	-74.4	173.9	-177	175.9	0	111.6	E156 E157 C158 I162 E163 E164	E156-K160 WeakPolarHBondContact O-CB 3.49Å; E156-K160 VanDerWaalsContact O-CG 3.3Å; E156-K160 WeakPolarHBondContact O-CG 3.38Å; E156-K160 PolarHBondContact O-N 2.78Å; E157-K160 PolarHBondContact O-N 3.26Å; C158-K160 PolarHBondContact O-N 2.86Å; K160-I162 VanDerWaalsContact C-N 3.33Å; K160-I162 PolarHBondContact O-N 3Å; K160-E163 PolarHBondContact O-N 2.8Å; K160-E164 WeakPolarHBondContact O-CG 2.87Å; K160-E164 PolarHBondContact O-N 2.81Å
161	E	95.4	Very high	90.8	Very high	71 Å²	71	72.1 Å²	72.1	33%	0.332	36%	0.356	S	S	.	.	H	α-helix	trans	-59.5	-43.9	176.8	-169.5	-175.4	155.1	0	0	111.8	K79 E157 C158 R165	K79-E161 WeakPolarHBondContact CE-OE1 3.15Å; K79-E161 IonicContact NZ-OE1 3.09Å; K79-E161 PolarHBondContact NZ-OE1 3.4Å; K79-E161 IonicContact NZ-OE2 2.89Å; K79-E161 PolarHBondContact NZ-OE2 2.78Å; E157-E161 PolarHBondContact O-N 2.83Å; C158-E161 PolarHBondContact O-N 3.49Å; E161-R165 WeakPolarHBondContact O-CB 3.07Å; E161-R165 PolarHBondContact O-N 2.89Å
162	I	93.9	Very high	88.6	Confident	15 Å²	15	74.2 Å²	74.2	8%	0.077	38%	0.377	C	S	.	.	H	α-helix	trans	-64.2	-43.8	175.6	-61.7	-59	0	0	0	111	I86 P106 C158 R159 K160 E164 R165 E166	I86-I162 HydrophobicContact CB-CD1 4.24Å; I86-I162 HydrophobicContact CB-CG1 4.42Å; I86-I162 HydrophobicContact CD1-CD1 4.11Å; I86-I162 HydrophobicContact CD1-CG1 4.23Å; I86-I162 HydrophobicContact CG1-CD1 3.97Å; I86-I162 HydrophobicContact CG1-CG1 4.42Å; P106-I162 HydrophobicContact CG-CB 4.48Å; P106-I162 HydrophobicContact CG-CG2 3.86Å; C158-I162 WeakPolarHBondContact O-CG1 3.38Å; C158-I162 PolarHBondContact O-N 2.95Å; C158-I162 VanDerWaalsContact O-N 3.1Å; R159-I162 PolarHBondContact O-N 3.38Å; K160-I162 VanDerWaalsContact C-N 3.33Å; K160-I162 PolarHBondContact O-N 3Å; I162-E164 PolarHBondContact O-N 3.32Å; I162-R165 PolarHBondContact O-N 3.11Å; I162-E166 HydrophobicContact CG2-CG 4.46Å; I162-E166 WeakPolarHBondContact O-CG 3.4Å; I162-E166 PolarHBondContact O-N 2.78Å
163	E	94	Very high	86.3	Confident	67 Å²	67	79.6 Å²	79.6	31%	0.313	40%	0.401	S	S	.	.	H	α-helix	trans	-60.4	-45.2	178.3	-169.3	-173.1	165.4	0	0	112.2	P106 R159 K160 R165 E166 K167	P106-E163 HydrophobicContact CB-CB 4Å; P106-E163 HydrophobicContact CB-CG 4.14Å; P106-E163 HydrophobicContact CG-CB 4.12Å; R159-E163 PolarHBondContact O-N 3.28Å; K160-E163 PolarHBondContact O-N 2.8Å; E163-R165 VanDerWaalsContact C-N 3.29Å; E163-R165 PolarHBondContact O-N 2.59Å; E163-E166 PolarHBondContact O-N 3.18Å; E163-K167 WeakPolarHBondContact O-CG 3.39Å; E163-K167 PolarHBondContact O-N 2.9Å; E163-K167 VanDerWaalsContact OE1-CE 3.32Å; E163-K167 WeakPolarHBondContact OE1-CE 3.46Å; E163-K167 IonicContact OE1-NZ 2.68Å; E163-K167 PolarHBondContact OE1-NZ 3Å
164	E	92.9	Very high	84.1	Confident	111 Å²	111	81.5 Å²	81.5	52%	0.519	41%	0.409	S	S	.	.	H	α-helix	trans	-63	-37.4	176.2	-73.5	-179.8	-174.1	0	0	112.2	K160 I162 K167 K168	K160-E164 WeakPolarHBondContact O-CG 2.87Å; K160-E164 PolarHBondContact O-N 2.81Å; I162-E164 PolarHBondContact O-N 3.32Å; E164-K167 PolarHBondContact O-N 3.35Å; E164-K168 WeakPolarHBondContact O-CG 3.35Å; E164-K168 PolarHBondContact O-N 3.34Å
165	R	90.4	Very high	82.1	Confident	112 Å²	112	82.5 Å²	82.5	42%	0.423	42%	0.417	S	S	.	.	H	α-helix	trans	-69.6	-40.4	178.2	-174	170.9	176.5	-135.3	-2.5	112.5	K83 G84 E161 I162 E163 K167 K168 A169	K83-R165 PolarHBondContact O-NH1 2.87Å; K83-R165 PolarHBondContact O-NH2 2.96Å; G84-R165 VanDerWaalsContact CA-NH1 3.32Å; G84-R165 PolarHBondContact O-NH1 2.65Å; E161-R165 WeakPolarHBondContact O-CB 3.07Å; E161-R165 PolarHBondContact O-N 2.89Å; I162-R165 PolarHBondContact O-N 3.11Å; E163-R165 VanDerWaalsContact C-N 3.29Å; E163-R165 PolarHBondContact O-N 2.59Å; R165-K167 VanDerWaalsContact C-N 3.35Å; R165-K168 PolarHBondContact O-N 2.67Å; R165-A169 WeakPolarHBondContact O-CB 3.47Å; R165-A169 PolarHBondContact O-N 2.78Å
166	E	88.8	Confident	80.2	Confident	115 Å²	115	88.6 Å²	88.6	54%	0.537	45%	0.446	S	S	.	.	H	α-helix	trans	-63.4	-40.8	173.5	-74	-175	-178.5	0	0	111.5	P106 I162 E163 A169 G170	P106-E166 WeakPolarHBondContact CG-OE2 3.32Å; I162-E166 HydrophobicContact CG2-CG 4.46Å; I162-E166 WeakPolarHBondContact O-CG 3.4Å; I162-E166 PolarHBondContact O-N 2.78Å; E163-E166 PolarHBondContact O-N 3.18Å; E166-A169 PolarHBondContact O-N 3.17Å; E166-G170 PolarHBondContact O-N 2.73Å
167	K	89.1	Confident	78.5	Confident	128 Å²	128	88.3 Å²	88.3	56%	0.557	46%	0.455	S	S	*	.	H	α-helix	trans	-60.9	-44.6	173.9	-72.5	171.5	-175.2	168.1	0	112.2	E163 E164 R165 G170 S171	E163-K167 WeakPolarHBondContact O-CG 3.39Å; E163-K167 PolarHBondContact O-N 2.9Å; E163-K167 VanDerWaalsContact OE1-CE 3.32Å; E163-K167 WeakPolarHBondContact OE1-CE 3.46Å; E163-K167 IonicContact OE1-NZ 2.68Å; E163-K167 PolarHBondContact OE1-NZ 3Å; E164-K167 PolarHBondContact O-N 3.35Å; R165-K167 VanDerWaalsContact C-N 3.35Å; K167-G170 PolarHBondContact O-N 2.89Å; K167-S171 PolarHBondContact O-N 3.26Å
168	K	86.5	Confident	76.9	Confident	156 Å²	156	90.1 Å²	90.1	68%	0.678	46%	0.463	S	S	*	.	H	α-helix	trans	-63.6	-40.7	176.2	-73.2	171.1	-176.7	169.6	0	112.2	E164 R165	E164-K168 WeakPolarHBondContact O-CG 3.35Å; E164-K168 PolarHBondContact O-N 3.34Å; R165-K168 PolarHBondContact O-N 2.67Å
169	A	81.9	Confident	75.5	Confident	65 Å²	65	96.6 Å²	96.6	54%	0.537	49%	0.491	S	S	.	.	H	α-helix	trans	-70.6	-33.1	177.2	0	0	0	0	0	112.9	R165 E166	R165-A169 WeakPolarHBondContact O-CB 3.47Å; R165-A169 PolarHBondContact O-N 2.78Å; E166-A169 PolarHBondContact O-N 3.17Å
170	G	65.7	Low	74.3	Confident	37 Å²	37	96.1 Å²	96.1	38%	0.381	50%	0.496	S	S	.	.	H	α-helix	trans	-70.1	-40.6	176.6	0	0	0	0	0	113.2	E166 K167 G172 K173	E166-G170 PolarHBondContact O-N 2.73Å; K167-G170 PolarHBondContact O-N 2.89Å; G170-G172 VanDerWaalsContact C-N 3.29Å; G170-G172 PolarHBondContact O-N 2.8Å; G170-K173 PolarHBondContact O-N 2.83Å
171	S	58.4	Low	73.3	Confident	78 Å²	78	92.7 Å²	92.7	55%	0.545	49%	0.491	S	S	.	.	H	α-helix	trans	-63.7	-33.5	179.9	-152.2	0	0	0	0	112.7	K167 K173 N174	K167-S171 PolarHBondContact O-N 3.26Å; S171-K173 VanDerWaalsContact C-N 3.31Å; S171-K173 PolarHBondContact O-N 3.35Å; S171-N174 PolarHBondContact O-N 3.24Å
172	G	50.7	Low	72.2	Confident	43 Å²	43	96.1 Å²	96.1	44%	0.443	51%	0.506	S	S	.	.	H	α-helix	trans	-73.3	-16.4	178.2	0	0	0	0	0	115.1	G170	G170-G172 VanDerWaalsContact C-N 3.29Å; G170-G172 PolarHBondContact O-N 2.8Å
173	K	50	Low	71.3	Confident	162 Å²	162	102.6 Å²	102.6	70%	0.704	53%	0.534	S	S	*	.	H	α-helix	trans	-79.8	-29.8	175.4	-79.8	179.1	176	174.1	0	112.6	G170 S171 A177	G170-K173 PolarHBondContact O-N 2.83Å; S171-K173 VanDerWaalsContact C-N 3.31Å; S171-K173 PolarHBondContact O-N 3.35Å; K173-A177 WeakPolarHBondContact O-CB 3.41Å; K173-A177 PolarHBondContact O-N 3.34Å
174	N	51.6	Low	70.2	Confident	111 Å²	111	105.3 Å²	105.3	59%	0.594	55%	0.55	S	S	*	*	H	α-helix	trans	-69.9	-41.7	176.3	-75.7	0.7	0	0	0	111.4	S171 H176 A177 E178	S171-N174 PolarHBondContact O-N 3.24Å; N174-H176 VanDerWaalsContact C-N 3.3Å; N174-H176 PolarHBondContact O-N 2.82Å; N174-A177 PolarHBondContact O-N 2.95Å; N174-E178 PolarHBondContact O-N 2.84Å
175	D	55.8	Low	69.1	Low	98 Å²	98	107.9 Å²	107.9	52%	0.524	56%	0.562	S	S	.	*	H	α-helix	trans	-63.3	-34.8	176.8	-68.3	-6.6	0	0	0	112.8	K179	D175-K179 WeakPolarHBondContact O-CB 3.12Å; D175-K179 WeakPolarHBondContact O-CG 3.35Å; D175-K179 PolarHBondContact O-N 2.82Å
176	H	57.9	Low	68.3	Low	129 Å²	129	106.7 Å²	106.7	60%	0.597	58%	0.576	S	S	*	*	H	α-helix	trans	-77	-36.2	177.3	-161.3	-31.9	0	0	0	111.7	N174 V180	N174-H176 VanDerWaalsContact C-N 3.3Å; N174-H176 PolarHBondContact O-N 2.82Å; H176-V180 VanDerWaalsContact CE1-CG2 3.43Å; H176-V180 WeakPolarHBondContact CE1-CG2 3.46Å; H176-V180 VanDerWaalsContact ND1-CG2 3.27Å; H176-V180 WeakPolarHBondContact ND1-CG2 3.37Å; H176-V180 WeakPolarHBondContact O-CB 3.21Å; H176-V180 WeakPolarHBondContact O-CG2 3.27Å; H176-V180 PolarHBondContact O-N 3.24Å
177	A	61	Low	67	Low	60 Å²	60	107.7 Å²	107.7	50%	0.496	59%	0.585	S	S	.	*	H	α-helix	trans	-65.2	-43.7	175.6	0	0	0	0	0	111.7	K173 N174 V180 A181	K173-A177 WeakPolarHBondContact O-CB 3.41Å; K173-A177 PolarHBondContact O-N 3.34Å; N174-A177 PolarHBondContact O-N 2.95Å; A177-V180 PolarHBondContact O-N 3.38Å; A177-A181 WeakPolarHBondContact O-CB 2.94Å; A177-A181 PolarHBondContact O-N 2.77Å
178	E	62.9	Low	65.6	Low	134 Å²	134	106.4 Å²	106.4	63%	0.626	59%	0.591	S	S	*	*	H	α-helix	trans	-63.4	-45.8	175.8	-76.7	-177.3	167.3	0	0	111.9	N174 V180 A181 E182	N174-E178 PolarHBondContact O-N 2.84Å; E178-V180 VanDerWaalsContact C-N 3.29Å; E178-V180 PolarHBondContact O-N 2.94Å; E178-A181 PolarHBondContact O-N 3.02Å; E178-E182 PolarHBondContact O-N 2.86Å
179	K	67.1	Low	64.2	Low	140 Å²	140	105 Å²	105	61%	0.609	60%	0.596	S	S	*	*	H	α-helix	trans	-64	-30.7	176.1	-79.6	178.6	179.1	172.7	0	114	D175 K183	D175-K179 WeakPolarHBondContact O-CB 3.12Å; D175-K179 WeakPolarHBondContact O-CG 3.35Å; D175-K179 PolarHBondContact O-N 2.82Å; K179-K183 WeakPolarHBondContact O-CG 3.23Å; K179-K183 PolarHBondContact O-N 3.07Å
180	V	71.6	Confident	63	Low	64 Å²	64	111.7 Å²	111.7	39%	0.388	61%	0.613	S	S	.	*	H	α-helix	trans	-75.2	-38.5	175.7	168.9	0	0	0	0	110.4	H176 A177 E178 K183 L184	H176-V180 VanDerWaalsContact CE1-CG2 3.43Å; H176-V180 WeakPolarHBondContact CE1-CG2 3.46Å; H176-V180 VanDerWaalsContact ND1-CG2 3.27Å; H176-V180 WeakPolarHBondContact ND1-CG2 3.37Å; H176-V180 WeakPolarHBondContact O-CB 3.21Å; H176-V180 WeakPolarHBondContact O-CG2 3.27Å; H176-V180 PolarHBondContact O-N 3.24Å; A177-V180 PolarHBondContact O-N 3.38Å; E178-V180 VanDerWaalsContact C-N 3.29Å; E178-V180 PolarHBondContact O-N 2.94Å; V180-K183 PolarHBondContact O-N 3.26Å; V180-L184 HydrophobicContact CG1-CD1 3.89Å; V180-L184 WeakPolarHBondContact O-CB 3.5Å; V180-L184 PolarHBondContact O-N 2.73Å
181	A	74.7	Confident	62.1	Low	51 Å²	51	117.7 Å²	117.7	42%	0.421	63%	0.631	S	S	.	*	H	α-helix	trans	-63.3	-47.6	174.4	0	0	0	0	0	112	A177 E178 K183 L184 E185	A177-A181 WeakPolarHBondContact O-CB 2.94Å; A177-A181 PolarHBondContact O-N 2.77Å; E178-A181 PolarHBondContact O-N 3.02Å; A181-K183 VanDerWaalsContact C-N 3.32Å; A181-K183 PolarHBondContact O-N 3.31Å; A181-L184 PolarHBondContact O-N 2.98Å; A181-L184 VanDerWaalsContact O-N 3.15Å; A181-E185 PolarHBondContact O-N 2.9Å
182	E	71.6	Confident	61.4	Low	142 Å²	142	121.9 Å²	121.9	66%	0.664	64%	0.642	S	S	*	*	H	α-helix	trans	-59.8	-40.1	176.6	-78.9	-174.8	150.2	0	0	112.4	E178 A186	E178-E182 PolarHBondContact O-N 2.86Å; E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.9Å; E182-A186 VanDerWaalsContact O-N 3.08Å
183	K	74	Confident	61.2	Low	152 Å²	152	126 Å²	126	66%	0.661	66%	0.659	S	S	*	*	H	α-helix	trans	-69.4	-33.6	176.7	-79.7	-176	176.4	-175.3	0	113	K179 V180 A181 L187	K179-K183 WeakPolarHBondContact O-CG 3.23Å; K179-K183 PolarHBondContact O-N 3.07Å; V180-K183 PolarHBondContact O-N 3.26Å; A181-K183 VanDerWaalsContact C-N 3.32Å; A181-K183 PolarHBondContact O-N 3.31Å; K183-L187 WeakPolarHBondContact O-CD1 3.34Å; K183-L187 PolarHBondContact O-N 3.26Å
184	L	72.5	Confident	60.7	Low	124 Å²	124	127.5 Å²	127.5	65%	0.649	67%	0.665	S	S	*	*	H	α-helix	trans	-69.2	-39.9	175.9	-94.8	153.1	0	0	0	111.6	V180 A181 L187	V180-L184 HydrophobicContact CG1-CD1 3.89Å; V180-L184 WeakPolarHBondContact O-CB 3.5Å; V180-L184 PolarHBondContact O-N 2.73Å; A181-L184 PolarHBondContact O-N 2.98Å; A181-L184 VanDerWaalsContact O-N 3.15Å; L184-L187 PolarHBondContact O-N 3.22Å
185	E	70	Confident	60.5	Low	165 Å²	165	131.7 Å²	131.7	77%	0.771	68%	0.681	S	S	*	*	H	α-helix	trans	-66.7	-36.4	174.6	-72.1	-167	165	0	0	112.2	A181 L187	A181-E185 PolarHBondContact O-N 2.9Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 2.84Å
186	A	71.8	Confident	59.9	Low	87 Å²	87	134.5 Å²	134.5	72%	0.719	70%	0.696	S	S	*	*	H	α-helix	trans	-71.1	-17.5	178.1	0	0	0	0	0	114.6	E182	E182-A186 WeakPolarHBondContact O-CB 3.49Å; E182-A186 PolarHBondContact O-N 2.9Å; E182-A186 VanDerWaalsContact O-N 3.08Å
187	L	63.2	Low	59.6	Low	136 Å²	136	132.9 Å²	132.9	71%	0.712	71%	0.705	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.1	-0.1	-179.2	-98.1	95.6	0	0	0	114.5	K183 L184 E185 V189	K183-L187 WeakPolarHBondContact O-CD1 3.34Å; K183-L187 PolarHBondContact O-N 3.26Å; L184-L187 PolarHBondContact O-N 3.22Å; E185-L187 VanDerWaalsContact C-N 3.29Å; E185-L187 PolarHBondContact O-N 2.84Å; L187-V189 PolarHBondContact O-N 3.26Å; L187-V189 VanDerWaalsContact O-N 3.15Å
188	S	59.5	Low	59	Low	100 Å²	100	138.8 Å²	138.8	70%	0.699	72%	0.722	S	S	*	*			trans	-81.8	93.8	176.5	-163	0	0	0	0	110.9	K190	S188-K190 PolarHBondContact O-N 3.24Å
189	V	57	Low	58	Low	128 Å²	128	140.3 Å²	140.3	78%	0.776	73%	0.729	S	S	*	*	P	Polyproline II helix	trans	-70.4	119.6	176.4	177.9	0	0	0	0	109.8	L187	L187-V189 PolarHBondContact O-N 3.26Å; L187-V189 VanDerWaalsContact O-N 3.15Å
190	K	56.2	Low	57.2	Low	204 Å²	204	143 Å²	143	89%	0.887	74%	0.741	S	S	*	*	P	Polyproline II helix	trans	-81.7	120.1	167.9	-74.8	-177	177.8	177.8	0	109.8	S188	S188-K190 PolarHBondContact O-N 3.24Å
191	E	46.4	Very low	56.1	Low	163 Å²	163	152.9 Å²	152.9	76%	0.762	78%	0.783	S	S	*	*	P	Polyproline II helix	trans	-63.3	145.6	174.2	-71.1	178.1	148.4	0	0	112.9
192	E	44	Very low	55.2	Low	166 Å²	166	158 Å²	158	78%	0.776	80%	0.801	S	S	*	*			trans	68.3	144.8	147.9	-66.5	176.6	178.8	0	0	118.1
193	T	45.8	Very low	54.3	Low	131 Å²	131	158.8 Å²	158.8	80%	0.804	81%	0.808	S	S	*	*			cis	-163	148.6	35.1	-10.1	0	0	0	0	109.8
194	K	40	Very low	53.3	Low	192 Å²	192	159.2 Å²	159.2	84%	0.835	82%	0.817	S	S	*	*			trans	-78.3	145.2	166.8	-76.6	176.7	172.4	-179.1	0	110.3
195	E	48.1	Very low	52.1	Low	199 Å²	199	161.2 Å²	161.2	93%	0.93	83%	0.826	S	S	*	*			trans	-159	135.5	144.4	-115.1	171.8	-170.5	0	0	111.6
196	D	42.6	Very low	51	Low	158 Å²	158	161 Å²	161	85%	0.845	83%	0.83	S	S	*	*			trans	-76.9	158.8	-171.7	-62.8	-64.7	0	0	0	114.1
197	A	52.3	Low	49.6	Very low	94 Å²	94	165.9 Å²	165.9	78%	0.777	84%	0.837	S	S	*	*			trans	176.3	119.7	133.3	0	0	0	0	0	112.5
198	E	48.2	Very low	48.7	Very low	184 Å²	184	168.1 Å²	168.1	86%	0.86	85%	0.846	S	S	*	*			trans	5.1	159.5	138.5	-70.3	171.7	162.2	0	0	119.6
199	E	41.6	Very low	47.8	Very low	166 Å²	166	173.3 Å²	173.3	78%	0.776	86%	0.858	S	S	*	*			cis	173	144.1	-11.2	177.7	-175.8	-145.8	0	0	102.9
200	K	50.9	Low	47.1	Very low	197 Å²	197	177.1 Å²	177.1	86%	0.857	86%	0.864	S	S	*	*			trans	158.2	101.3	146	-91.1	171.2	-176.9	180	0	112.6
201	Q	48.7	Very low	46.2	Very low	271 Å²	271	174.6 Å²	174.6	100%	1.266	86%	0.862	S	S	*	*				-177.7	0	104.4	-114.4	-179.8	-2.4	0	0	110.7

Retrieved 201 of 201 residues in 35.2 ms (Link to these results)

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