A0A087X373_POEFO Loading...

E2 ubiquitin-conjugating enzyme

AlphaFold DB , UniProt , Accession A0A087X373, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 190 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	37.4	Very low	37.5	Very low	242 Å²	242	164.3 Å²	164.3	100%	1.192	86%	0.862	S	S	*	*				0	99.4	0	-69.4	171.5	-178.8	0	0	106.9
2	Q	36.3	Very low	37.3	Very low	183 Å²	183	162.3 Å²	162.3	86%	0.855	85%	0.853	S	S	*	*			trans	-98.4	126.7	179.9	-78.2	178.8	-16.6	0	0	108.9	F4	Q2-F4 PolarHBondContact O-N 2.63Å
3	N	34.5	Very low	38.1	Very low	162 Å²	162	158 Å²	158	87%	0.866	84%	0.838	S	S	*	*			trans	-63.9	124	-179.2	-75.1	-24.9	0	0	0	110.5
4	F	32.1	Very low	38.1	Very low	193 Å²	193	161.6 Å²	161.6	85%	0.846	84%	0.843	S	S	*	*			trans	-86	113.7	169.2	-71.7	-86.9	0	0	0	108.9	Q2	Q2-F4 PolarHBondContact O-N 2.63Å
5	N	40.3	Very low	38.8	Very low	163 Å²	163	165.1 Å²	165.1	87%	0.872	85%	0.848	S	S	*	*			trans	-82.8	114.9	163.1	-86.6	-27.5	0	0	0	108.7
6	V	37.6	Very low	39	Very low	121 Å²	121	166.7 Å²	166.7	73%	0.733	85%	0.847	S	S	*	*			trans	-90.5	105.3	174.1	-177.4	0	0	0	0	107.8	Q8	V6-Q8 HydrophobicContact CG1-CG 4.49Å; V6-Q8 PolarHBondContact O-N 3.36Å
7	C	36.3	Very low	38.9	Very low	127 Å²	127	169.2 Å²	169.2	86%	0.858	85%	0.851	S	S	*	*			trans	-82.8	109	160.7	-82.2	0	0	0	0	108.4
8	Q	41.8	Very low	39.3	Very low	180 Å²	180	166.6 Å²	166.6	84%	0.841	84%	0.839	S	S	*	*			trans	-67.4	129.9	166.6	-74.5	178.8	-33.7	0	0	109.5	V6	V6-Q8 HydrophobicContact CG1-CG 4.49Å; V6-Q8 PolarHBondContact O-N 3.36Å
9	L	38.8	Very low	39.2	Very low	154 Å²	154	167.5 Å²	167.5	81%	0.806	84%	0.837	S	S	*	*			trans	-120.1	146.2	153.8	-77.9	176.6	0	0	0	108.9
10	P	37.6	Very low	39.2	Very low	125 Å²	125	166.4 Å²	166.4	81%	0.812	83%	0.827	S	S	*	*			trans	-70	143.3	-168.3	28.7	-33.7	0	0	0	111.7
11	I	40.3	Very low	39.1	Very low	157 Å²	157	166.6 Å²	166.6	81%	0.805	83%	0.825	S	S	*	*			trans	-72.1	124.2	-173.7	-64.4	148.1	0	0	0	109.9
12	N	34.8	Very low	39.2	Very low	141 Å²	141	158.8 Å²	158.8	75%	0.754	81%	0.807	S	S	*	*				-155.7	95.3	126.1	-143	-12.1	0	0	0	114
13	T	47	Very low	39.8	Very low	106 Å²	106	154.8 Å²	154.8	65%	0.65	82%	0.815	S	S	*	*			trans	42.6	101.6	142.6	64.1	0	0	0	0	121.4
14	K	38.5	Very low	40.4	Very low	208 Å²	208	149.4 Å²	149.4	90%	0.904	80%	0.798	S	S	*	*				-166.5	125.5	99	-96.3	176	-172.5	-177.3	0	109.2	K16	K14-K16 PolarHBondContact O-N 2.8Å
15	K	48.9	Very low	41.2	Very low	214 Å²	214	150.2 Å²	150.2	93%	0.93	80%	0.795	S	S	*	*			trans	-49.3	118.2	-170.7	-67.5	171.4	174.7	174.7	0	113.2
16	K	41.3	Very low	41.6	Very low	191 Å²	191	143.9 Å²	143.9	83%	0.83	76%	0.764	S	S	*	*			trans	-134	114.6	143	-77.6	-172.5	177.5	180	0	107.4	K14 I18	K14-K16 PolarHBondContact O-N 2.8Å; K16-I18 PolarHBondContact O-N 2.8Å
17	K	38.6	Very low	42.5	Very low	210 Å²	210	141.2 Å²	141.2	91%	0.913	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-57.6	123.4	171.1	-95.1	177.5	170.6	179.5	0	107.3
18	I	45.7	Very low	43	Very low	122 Å²	122	142.1 Å²	142.1	63%	0.626	74%	0.744	S	S	*	*	P	Polyproline II helix	trans	-98.1	117.7	173.6	-45.6	175.8	0	0	0	105.7	K16 F20	K16-I18 PolarHBondContact O-N 2.8Å; I18-F20 HydrophobicContact CB-CE2 4.44Å; I18-F20 HydrophobicContact CG2-CD2 3.98Å; I18-F20 HydrophobicContact CG2-CE2 3.59Å; I18-F20 HydrophobicContact CG2-CZ 4.24Å
19	F	36.3	Very low	43.5	Very low	184 Å²	184	142.3 Å²	142.3	81%	0.807	74%	0.737	S	S	*	*	P	Polyproline II helix	trans	-93.6	132	168.8	-125.5	-96.8	0	0	0	107.4
20	F	40.2	Very low	44.4	Very low	144 Å²	144	138.9 Å²	138.9	63%	0.632	72%	0.717	S	S	*	*			trans	-110.6	112.6	169.4	-82.5	-88.2	0	0	0	107.8	I18 C26	I18-F20 HydrophobicContact CB-CE2 4.44Å; I18-F20 HydrophobicContact CG2-CD2 3.98Å; I18-F20 HydrophobicContact CG2-CE2 3.59Å; I18-F20 HydrophobicContact CG2-CZ 4.24Å; F20-C26 HydrophobicContact CE1-CB 4.22Å; F20-C26 HydrophobicContact CZ-CB 4.26Å
21	E	36.3	Very low	45.3	Very low	171 Å²	171	138.8 Å²	138.8	80%	0.799	71%	0.706	S	S	*	*			trans	-97.5	138.9	154.3	-74.3	-172.5	156.8	0	0	108.1
22	G	39.6	Very low	46.3	Very low	79 Å²	79	135.6 Å²	135.6	81%	0.814	69%	0.687	S	S	*	*	T	Hydrogen-bonded Turn	trans	-10.4	124.2	-175.3	0	0	0	0	0	120	G24	G22-G24 VanDerWaalsContact C-N 3.27Å; G22-G24 PolarHBondContact O-N 3.22Å
23	G	48.8	Very low	47.8	Very low	99 Å²	99	133.4 Å²	133.4	100%	1.021	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	67.4	3.9	145.9	0	0	0	0	0	119.1
24	G	47	Very low	48.9	Very low	49 Å²	49	133.5 Å²	133.5	51%	0.505	67%	0.672	S	S	.	*	P	Polyproline II helix	trans	-98.2	149.9	179.5	0	0	0	0	0	113.9	G22	G22-G24 VanDerWaalsContact C-N 3.27Å; G22-G24 PolarHBondContact O-N 3.22Å
25	R	48.9	Very low	50.4	Low	209 Å²	209	128.1 Å²	128.1	79%	0.789	65%	0.648	S	S	*	*	P	Polyproline II helix	trans	-53.9	139.8	167.8	-69.4	-176.5	-64.9	-141	-5.7	109.6	A27 E30	R25-A27 PolarHBondContact O-N 3.04Å; R25-E30 HydrophobicContact CB-CG 4.45Å; R25-E30 IonicContact CZ-OE1 3.69Å; R25-E30 IonicContact NE-OE1 3.05Å; R25-E30 PolarHBondContact NE-OE1 3.12Å; R25-E30 IonicContact NH2-OE1 3.5Å; R25-E30 PolarHBondContact NH2-OE1 3.12Å
26	C	50.3	Low	51.6	Low	31 Å²	31	121.6 Å²	121.6	21%	0.209	62%	0.62	C	S	.	*	P	Polyproline II helix	trans	-67.7	122	-176.2	175.8	0	0	0	0	110.6	F20 F28 W29 E30	F20-C26 HydrophobicContact CE1-CB 4.22Å; F20-C26 HydrophobicContact CZ-CB 4.26Å; C26-F28 PolarHBondContact O-N 2.76Å; C26-W29 WeakPolarHBondContact O-CB 3.47Å; C26-W29 PolarHBondContact O-N 3.25Å; C26-E30 PolarHBondContact O-N 3.34Å
27	A	54.8	Low	53.5	Low	64 Å²	64	117 Å²	117	53%	0.529	60%	0.603	S	S	.	*	H	α-helix	trans	-53.7	-24.9	-174.9	0	0	0	0	0	114.9	R25 W29 E30 Q31	R25-A27 PolarHBondContact O-N 3.04Å; A27-W29 VanDerWaalsContact C-N 3.34Å; A27-E30 PolarHBondContact O-N 3.2Å; A27-Q31 PolarHBondContact O-N 2.83Å; A27-Q31 VanDerWaalsContact O-N 3.08Å
28	F	48.8	Very low	55.8	Low	146 Å²	146	109.1 Å²	109.1	64%	0.64	58%	0.577	S	S	*	*	H	α-helix	trans	-63.1	-39.2	173	-179.5	-101.7	0	0	0	112.5	C26 H32	C26-F28 PolarHBondContact O-N 2.76Å; F28-H32 WeakPolarHBondContact O-CB 3.21Å; F28-H32 PolarHBondContact O-N 3.44Å; F28-H32 VanDerWaalsContact O-N 3.13Å
29	W	51.4	Low	57.9	Low	185 Å²	185	103.3 Å²	103.3	70%	0.701	55%	0.547	S	S	*	.	H	α-helix	trans	-73.3	-35.4	178.5	-68.2	81.1	0	0	0	111.9	C26 A27 N33	C26-W29 WeakPolarHBondContact O-CB 3.47Å; C26-W29 PolarHBondContact O-N 3.25Å; A27-W29 VanDerWaalsContact C-N 3.34Å; W29-N33 WeakPolarHBondContact O-CB 3.46Å; W29-N33 PolarHBondContact O-N 3.32Å; W29-N33 VanDerWaalsContact O-N 3.11Å
30	E	56.5	Low	60.5	Low	82 Å²	82	95.6 Å²	95.6	38%	0.383	52%	0.516	S	S	.	.	H	α-helix	trans	-67.3	-47.9	176.6	-68.1	-176.5	159	0	0	111.1	R25 C26 A27 H32 N33 D34	R25-E30 HydrophobicContact CB-CG 4.45Å; R25-E30 IonicContact CZ-OE1 3.69Å; R25-E30 IonicContact NE-OE1 3.05Å; R25-E30 PolarHBondContact NE-OE1 3.12Å; R25-E30 IonicContact NH2-OE1 3.5Å; R25-E30 PolarHBondContact NH2-OE1 3.12Å; C26-E30 PolarHBondContact O-N 3.34Å; A27-E30 PolarHBondContact O-N 3.2Å; E30-H32 VanDerWaalsContact C-N 3.35Å; E30-H32 PolarHBondContact O-N 2.93Å; E30-N33 PolarHBondContact O-N 3.45Å; E30-N33 VanDerWaalsContact O-N 3.17Å; E30-D34 PolarHBondContact O-N 3.08Å
31	Q	58.3	Low	63	Low	123 Å²	123	95.9 Å²	95.9	58%	0.575	51%	0.513	S	S	*	.	H	α-helix	trans	-59.8	-42.2	174.4	-81.4	-176.4	-7.8	0	0	112.9	A27 N33 D34 F35	A27-Q31 PolarHBondContact O-N 2.83Å; A27-Q31 VanDerWaalsContact O-N 3.08Å; Q31-N33 VanDerWaalsContact C-N 3.28Å; Q31-N33 PolarHBondContact O-N 3.45Å; Q31-D34 PolarHBondContact O-N 3.45Å; Q31-F35 HydrophobicContact CB-CE2 4.48Å; Q31-F35 WeakPolarHBondContact O-CD2 3.22Å; Q31-F35 PolarHBondContact O-N 2.95Å; Q31-F35 VanDerWaalsContact O-N 3.08Å
32	H	59.5	Low	65.8	Low	89 Å²	89	90.8 Å²	90.8	41%	0.412	49%	0.486	S	S	.	.	H	α-helix	trans	-62	-37.2	178.3	-175.7	-88	0	0	0	112.1	F28 E30 K36	F28-H32 WeakPolarHBondContact O-CB 3.21Å; F28-H32 PolarHBondContact O-N 3.44Å; F28-H32 VanDerWaalsContact O-N 3.13Å; E30-H32 VanDerWaalsContact C-N 3.35Å; E30-H32 PolarHBondContact O-N 2.93Å; H32-K36 PolarHBondContact O-N 3.35Å
33	N	67.8	Low	68.5	Low	96 Å²	96	87 Å²	87	51%	0.513	45%	0.448	S	S	.	.	H	α-helix	trans	-71.8	-36.7	177.4	-152.2	32.9	0	0	0	111.8	W29 E30 Q31 K36 M37	W29-N33 WeakPolarHBondContact O-CB 3.46Å; W29-N33 PolarHBondContact O-N 3.32Å; W29-N33 VanDerWaalsContact O-N 3.11Å; E30-N33 PolarHBondContact O-N 3.45Å; E30-N33 VanDerWaalsContact O-N 3.17Å; Q31-N33 VanDerWaalsContact C-N 3.28Å; Q31-N33 PolarHBondContact O-N 3.45Å; N33-K36 PolarHBondContact O-N 3Å; N33-M37 VanDerWaalsContact O-CG 3.3Å; N33-M37 WeakPolarHBondContact O-CG 3.42Å; N33-M37 PolarHBondContact O-N 2.99Å
34	D	69.4	Low	70.7	Confident	107 Å²	107	84.3 Å²	84.3	57%	0.572	42%	0.416	S	S	*	.	H	α-helix	trans	-65.3	-44.2	177.4	-72.8	-22.4	0	0	0	112.8	E30 Q31 M37 A38	E30-D34 PolarHBondContact O-N 3.08Å; Q31-D34 PolarHBondContact O-N 3.45Å; D34-M37 PolarHBondContact O-N 2.74Å; D34-A38 PolarHBondContact O-N 2.97Å
35	F	70.1	Confident	73	Confident	95 Å²	95	88.8 Å²	88.8	42%	0.417	42%	0.421	S	S	.	.	H	α-helix	trans	-60.9	-45.4	175.1	-76.7	-63.8	0	0	0	111.5	Q31 M37 A38 A39 T95	Q31-F35 HydrophobicContact CB-CE2 4.48Å; Q31-F35 WeakPolarHBondContact O-CD2 3.22Å; Q31-F35 PolarHBondContact O-N 2.95Å; Q31-F35 VanDerWaalsContact O-N 3.08Å; F35-M37 VanDerWaalsContact C-N 3.28Å; F35-M37 PolarHBondContact O-N 3.47Å; F35-A38 PolarHBondContact O-N 3.32Å; F35-A39 WeakPolarHBondContact O-CB 3.45Å; F35-A39 PolarHBondContact O-N 3.49Å; F35-T95 CarbonylContact C-O 3.44Å
36	K	73.8	Confident	75.2	Confident	77 Å²	77	79.3 Å²	79.3	34%	0.335	39%	0.386	S	S	.	.	H	α-helix	trans	-58.8	-39.6	176.5	-173.9	177.5	-179.7	-175.4	0	112.1	H32 N33 S40 L69 T95	H32-K36 PolarHBondContact O-N 3.35Å; N33-K36 PolarHBondContact O-N 3Å; K36-S40 VanDerWaalsContact O-CB 3.27Å; K36-S40 WeakPolarHBondContact O-CB 3.46Å; K36-S40 PolarHBondContact O-N 2.86Å; K36-S40 PolarHBondContact O-OG 2.96Å; K36-L69 HydrophobicContact CG-CD1 4.27Å; K36-T95 HydrophobicContact CB-CG2 4.4Å
37	M	81.1	Confident	77.3	Confident	95 Å²	95	78.4 Å²	78.4	47%	0.468	38%	0.378	S	S	.	.	H	α-helix	trans	-70.4	-38.1	177.9	-72.9	-60.7	-66.7	0	0	112.5	N33 D34 F35 R41	N33-M37 VanDerWaalsContact O-CG 3.3Å; N33-M37 WeakPolarHBondContact O-CG 3.42Å; N33-M37 PolarHBondContact O-N 2.99Å; D34-M37 PolarHBondContact O-N 2.74Å; F35-M37 VanDerWaalsContact C-N 3.28Å; F35-M37 PolarHBondContact O-N 3.47Å; M37-R41 WeakPolarHBondContact O-CG 3.35Å; M37-R41 PolarHBondContact O-N 3.04Å; M37-R41 VanDerWaalsContact O-N 3.15Å
38	A	86.8	Confident	79.2	Confident	44 Å²	44	81 Å²	81	36%	0.364	38%	0.38	S	S	.	.	H	α-helix	trans	-67.7	-46.4	176.5	0	0	0	0	0	112.4	D34 F35 R41 R42	D34-A38 PolarHBondContact O-N 2.97Å; F35-A38 PolarHBondContact O-N 3.32Å; A38-R41 PolarHBondContact O-N 3.38Å; A38-R42 PolarHBondContact O-N 3.38Å
39	A	90.8	Very high	81.3	Confident	0 Å²	0	77.3 Å²	77.3	0%	0	36%	0.364	C	S	.	.	H	α-helix	trans	-57.7	-49.8	175.7	0	0	0	0	0	111.1	F35 R41 R42 L43 L69 Y97	F35-A39 WeakPolarHBondContact O-CB 3.45Å; F35-A39 PolarHBondContact O-N 3.49Å; A39-R41 VanDerWaalsContact C-N 3.35Å; A39-R41 PolarHBondContact O-N 2.94Å; A39-R42 PolarHBondContact O-N 3.49Å; A39-R42 VanDerWaalsContact O-N 3.16Å; A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 2.86Å; A39-L69 HydrophobicContact CB-CD2 4.02Å; A39-Y97 VanDerWaalsContact CB-O 3.25Å; A39-Y97 WeakPolarHBondContact CB-O 3.21Å
40	S	91.4	Very high	83.3	Confident	22 Å²	22	68.7 Å²	68.7	15%	0.154	33%	0.332	C	S	.	.	H	α-helix	trans	-57.3	-43.1	178.9	-63.1	0	0	0	0	112.9	K36 R42 L43 A44	K36-S40 VanDerWaalsContact O-CB 3.27Å; K36-S40 WeakPolarHBondContact O-CB 3.46Å; K36-S40 PolarHBondContact O-N 2.86Å; K36-S40 PolarHBondContact O-OG 2.96Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 2.76Å; S40-L43 PolarHBondContact O-N 3.44Å; S40-A44 WeakPolarHBondContact O-CB 3.34Å; S40-A44 PolarHBondContact O-N 3.31Å
41	R	92.3	Very high	85	Confident	150 Å²	150	71.6 Å²	71.6	57%	0.566	34%	0.34	S	S	*	.	H	α-helix	trans	-62.2	-39.8	177.8	-78	-172.7	-64.5	-97.3	2.6	112.7	M37 A38 A39	M37-R41 WeakPolarHBondContact O-CG 3.35Å; M37-R41 PolarHBondContact O-N 3.04Å; M37-R41 VanDerWaalsContact O-N 3.15Å; A38-R41 PolarHBondContact O-N 3.38Å; A39-R41 VanDerWaalsContact C-N 3.35Å; A39-R41 PolarHBondContact O-N 2.94Å
42	R	94.8	Very high	86.6	Confident	64 Å²	64	73.8 Å²	73.8	24%	0.242	34%	0.343	C	S	.	.	H	α-helix	trans	-69.5	-47.2	177	176.6	172.8	168.9	163.3	-11.3	111	A38 A39 S40 A44 K45 E46 Y97 P98 P133 T135	A38-R42 PolarHBondContact O-N 3.38Å; A39-R42 PolarHBondContact O-N 3.49Å; A39-R42 VanDerWaalsContact O-N 3.16Å; S40-R42 VanDerWaalsContact C-N 3.34Å; S40-R42 PolarHBondContact O-N 2.76Å; R42-A44 VanDerWaalsContact C-N 3.31Å; R42-A44 PolarHBondContact O-N 3.45Å; R42-K45 WeakPolarHBondContact O-CB 3.42Å; R42-K45 PolarHBondContact O-N 2.92Å; R42-K45 VanDerWaalsContact O-N 3.13Å; R42-E46 WeakPolarHBondContact CG-OE1 3.29Å; R42-E46 IonicContact CZ-OE1 2.72Å; R42-E46 IonicContact NE-OE1 2.91Å; R42-E46 PolarHBondContact NE-OE1 3.49Å; R42-E46 IonicContact NH2-OE1 3.81Å; R42-E46 PolarHBondContact NH2-OE1 3.22Å; R42-E46 PolarHBondContact O-N 3.01Å; R42-Y97 HydrophobicContact CG-CE1 4.16Å; R42-Y97 PolarHBondContact NH2-OH 3.48Å; R42-P98 VanDerWaalsContact CZ-CB 3.47Å; R42-P133 PolarHBondContact NH1-O 3.43Å; R42-P133 PolarHBondContact NH2-O 2.8Å; R42-T135 PolarHBondContact NH2-O 3.13Å
43	L	96.2	Very high	88	Confident	1 Å²	1	73.2 Å²	73.2	1%	0.005	35%	0.349	C	S	.	.	H	α-helix	trans	-62.1	-37.5	-179.9	-71.5	169.3	0	0	0	112.4	A39 S40 K45 E46 L47 L69 W71 F93 Y97	A39-L43 WeakPolarHBondContact O-CB 3.29Å; A39-L43 WeakPolarHBondContact O-CG 3.45Å; A39-L43 PolarHBondContact O-N 2.86Å; S40-L43 PolarHBondContact O-N 3.44Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.46Å; L43-E46 PolarHBondContact O-N 3.24Å; L43-L47 VanDerWaalsContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CB 3.3Å; L43-L47 PolarHBondContact O-N 3.35Å; L43-L69 HydrophobicContact CD1-CD2 3.6Å; L43-W71 HydrophobicContact CB-CZ2 3.98Å; L43-W71 HydrophobicContact CD2-CH2 4.47Å; L43-W71 HydrophobicContact CD2-CZ2 3.88Å; L43-W71 WeakPolarHBondContact O-CZ2 3.47Å; L43-F93 HydrophobicContact CD1-CB 3.86Å; L43-F93 HydrophobicContact CD1-CD1 4.19Å; L43-F93 HydrophobicContact CD1-CD2 4.07Å; L43-F93 HydrophobicContact CD1-CG 3.77Å; L43-F93 HydrophobicContact CD2-CD1 3.49Å; L43-F93 VanDerWaalsContact CD2-CD1 3.49Å; L43-F93 HydrophobicContact CD2-CD2 4.08Å; L43-F93 HydrophobicContact CD2-CE1 3.42Å; L43-F93 VanDerWaalsContact CD2-CE1 3.42Å; L43-F93 HydrophobicContact CD2-CE2 4.03Å; L43-F93 HydrophobicContact CD2-CG 3.83Å; L43-F93 HydrophobicContact CD2-CZ 3.7Å; L43-F93 HydrophobicContact CG-CD1 4.47Å; L43-F93 HydrophobicContact CG-CG 4.47Å; L43-Y97 HydrophobicContact CD1-CD1 4.26Å; L43-Y97 HydrophobicContact CD2-CD1 3.96Å; L43-Y97 HydrophobicContact CD2-CE1 3.67Å; L43-Y97 HydrophobicContact CG-CD1 3.97Å; L43-Y97 HydrophobicContact CG-CE1 4.03Å
44	A	94.3	Very high	88.6	Confident	42 Å²	42	70.4 Å²	70.4	35%	0.347	34%	0.342	S	S	.	.	H	α-helix	trans	-57.2	-44.3	173.5	0	0	0	0	0	112.1	S40 R42 E48 L68	S40-A44 WeakPolarHBondContact O-CB 3.34Å; S40-A44 PolarHBondContact O-N 3.31Å; R42-A44 VanDerWaalsContact C-N 3.31Å; R42-A44 PolarHBondContact O-N 3.45Å; A44-E48 PolarHBondContact O-N 2.98Å; A44-E48 VanDerWaalsContact O-N 3.09Å; A44-L68 HydrophobicContact CB-CD1 3.99Å
45	K	95.1	Very high	89.3	Confident	143 Å²	143	66.6 Å²	66.6	62%	0.622	32%	0.322	S	S	*	.	H	α-helix	trans	-67.3	-45.2	177.1	-67.2	-177	177.9	-172.3	0	112.2	R42 L43 L47 E48 E49	R42-K45 WeakPolarHBondContact O-CB 3.42Å; R42-K45 PolarHBondContact O-N 2.92Å; R42-K45 VanDerWaalsContact O-N 3.13Å; L43-K45 VanDerWaalsContact C-N 3.31Å; L43-K45 PolarHBondContact O-N 3.46Å; K45-L47 VanDerWaalsContact C-N 3.31Å; K45-L47 PolarHBondContact O-N 2.96Å; K45-E48 PolarHBondContact O-N 3.29Å; K45-E49 WeakPolarHBondContact O-CG 3.2Å; K45-E49 PolarHBondContact O-N 3.22Å
46	E	95.6	Very high	90	Very high	10 Å²	10	70.2 Å²	70.2	5%	0.047	34%	0.337	C	S	.	.	H	α-helix	trans	-62.7	-38.7	177.6	-70.5	-172.5	-147.3	0	0	111.9	R42 L43 E49 I50 W71 Y97 T137	R42-E46 WeakPolarHBondContact CG-OE1 3.29Å; R42-E46 IonicContact CZ-OE1 2.72Å; R42-E46 IonicContact NE-OE1 2.91Å; R42-E46 PolarHBondContact NE-OE1 3.49Å; R42-E46 IonicContact NH2-OE1 3.81Å; R42-E46 PolarHBondContact NH2-OE1 3.22Å; R42-E46 PolarHBondContact O-N 3.01Å; L43-E46 PolarHBondContact O-N 3.24Å; E46-E49 PolarHBondContact O-N 3.48Å; E46-I50 WeakPolarHBondContact O-CB 3.43Å; E46-I50 WeakPolarHBondContact O-CD1 3.34Å; E46-I50 VanDerWaalsContact O-CG1 3.28Å; E46-I50 WeakPolarHBondContact O-CG1 3.35Å; E46-I50 PolarHBondContact O-N 3.38Å; E46-W71 HydrophobicContact CB-CH2 4.27Å; E46-Y97 PolarHBondContact OE1-OH 2.86Å; E46-Y97 PolarHBondContact OE2-OH 3.43Å; E46-T137 VanDerWaalsContact OE2-CB 3.23Å; E46-T137 WeakPolarHBondContact OE2-CB 3.42Å; E46-T137 PolarHBondContact OE2-N 2.65Å; E46-T137 PolarHBondContact OE2-OG1 3.48Å
47	L	94.8	Very high	90.8	Very high	11 Å²	11	68.3 Å²	68.3	6%	0.058	33%	0.33	C	S	.	.	H	α-helix	trans	-63.6	-43	176.2	-177.6	61.5	0	0	0	111.7	L43 K45 I50 R51 I61 V63 W71	L43-L47 VanDerWaalsContact O-CB 3.27Å; L43-L47 WeakPolarHBondContact O-CB 3.3Å; L43-L47 PolarHBondContact O-N 3.35Å; K45-L47 VanDerWaalsContact C-N 3.31Å; K45-L47 PolarHBondContact O-N 2.96Å; L47-I50 PolarHBondContact O-N 3.4Å; L47-R51 WeakPolarHBondContact O-CB 3.5Å; L47-R51 WeakPolarHBondContact O-CG 3.42Å; L47-R51 PolarHBondContact O-N 3.06Å; L47-I61 HydrophobicContact CD1-CG2 3.77Å; L47-V63 HydrophobicContact CD1-CG2 3.81Å; L47-V63 HydrophobicContact CD2-CB 3.94Å; L47-V63 HydrophobicContact CD2-CG1 4.21Å; L47-V63 HydrophobicContact CD2-CG2 3.71Å; L47-V63 HydrophobicContact CG-CG2 4.43Å; L47-W71 HydrophobicContact CB-CH2 3.71Å; L47-W71 HydrophobicContact CB-CZ2 3.75Å; L47-W71 HydrophobicContact CB-CZ3 4.45Å; L47-W71 HydrophobicContact CD1-CD2 4.42Å; L47-W71 HydrophobicContact CD1-CE3 4.22Å; L47-W71 HydrophobicContact CD1-CH2 4.13Å; L47-W71 HydrophobicContact CD1-CZ2 4.32Å; L47-W71 HydrophobicContact CD1-CZ3 4.06Å; L47-W71 HydrophobicContact CG-CH2 4.5Å; L47-W71 HydrophobicContact CG-CZ2 4.48Å
48	E	93.9	Very high	91.4	Very high	118 Å²	118	64 Å²	64	55%	0.551	31%	0.309	S	S	*	.	H	α-helix	trans	-62.7	-44.7	175.4	-166.8	-165.6	145.3	0	0	111.3	A44 K45 I50 R51 R52	A44-E48 PolarHBondContact O-N 2.98Å; A44-E48 VanDerWaalsContact O-N 3.09Å; K45-E48 PolarHBondContact O-N 3.29Å; E48-I50 PolarHBondContact O-N 2.98Å; E48-R51 PolarHBondContact O-N 3.29Å; E48-R52 VanDerWaalsContact O-CB 3.27Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 PolarHBondContact O-N 2.63Å; E48-R52 IonicContact OE1-NH1 2.63Å; E48-R52 PolarHBondContact OE1-NH1 2.83Å
49	E	93.8	Very high	91.7	Very high	69 Å²	69	65.7 Å²	65.7	32%	0.322	31%	0.306	S	S	.	.	H	α-helix	trans	-59.3	-44.7	175.9	-74.9	177.5	-173.3	0	0	112	K45 E46 R52 S53 K136	K45-E49 WeakPolarHBondContact O-CG 3.2Å; K45-E49 PolarHBondContact O-N 3.22Å; E46-E49 PolarHBondContact O-N 3.48Å; E49-R52 PolarHBondContact O-N 2.82Å; E49-S53 WeakPolarHBondContact O-CB 2.94Å; E49-S53 PolarHBondContact O-N 3.49Å; E49-S53 PolarHBondContact O-OG 2.88Å; E49-K136 IonicContact OE1-NZ 2.72Å; E49-K136 IonicContact OE2-NZ 3.96Å; E49-K136 PolarHBondContact OE2-NZ 3.18Å
50	I	93.6	Very high	91.8	Very high	5 Å²	5	69.6 Å²	69.6	3%	0.026	33%	0.327	C	S	.	.	H	α-helix	trans	-65.9	-42.1	178.2	-71.7	163.6	0	0	0	111.4	E46 L47 E48 R52 S53 G54 M55 F58 I61 W71 T137 D138 I141	E46-I50 WeakPolarHBondContact O-CB 3.43Å; E46-I50 WeakPolarHBondContact O-CD1 3.34Å; E46-I50 VanDerWaalsContact O-CG1 3.28Å; E46-I50 WeakPolarHBondContact O-CG1 3.35Å; E46-I50 PolarHBondContact O-N 3.38Å; L47-I50 PolarHBondContact O-N 3.4Å; E48-I50 PolarHBondContact O-N 2.98Å; I50-R52 VanDerWaalsContact C-N 3.34Å; I50-S53 PolarHBondContact O-OG 3.25Å; I50-G54 PolarHBondContact O-N 3.38Å; I50-M55 HydrophobicContact CG1-SD 4.43Å; I50-M55 HydrophobicContact CG2-SD 4Å; I50-F58 HydrophobicContact CG2-CD1 4.4Å; I50-I61 HydrophobicContact CG2-CD1 3.49Å; I50-I61 VanDerWaalsContact CG2-CD1 3.49Å; I50-W71 HydrophobicContact CD1-CH2 4.25Å; I50-W71 HydrophobicContact CD1-CZ3 3.72Å; I50-T137 HydrophobicContact CD1-CG2 4.21Å; I50-D138 HydrophobicContact CD1-CB 4.29Å; I50-D138 HydrophobicContact CG1-CB 3.97Å; I50-I141 HydrophobicContact CD1-CD1 4.26Å
51	R	91.9	Very high	91.9	Very high	142 Å²	142	69.9 Å²	69.9	54%	0.536	33%	0.327	S	S	.	.	H	α-helix	trans	-64.4	-41.1	176.3	-76.2	175.7	171.3	171.2	-2	111.5	L47 E48 G54	L47-R51 WeakPolarHBondContact O-CB 3.5Å; L47-R51 WeakPolarHBondContact O-CG 3.42Å; L47-R51 PolarHBondContact O-N 3.06Å; E48-R51 PolarHBondContact O-N 3.29Å; R51-G54 PolarHBondContact O-N 2.97Å
52	R	91.6	Very high	92	Very high	169 Å²	169	68 Å²	68	64%	0.638	32%	0.324	S	S	*	.	H	α-helix	trans	-70.8	-35.9	179.7	-175.4	173.6	63.7	-133.8	-0.3	112.9	E48 E49 I50 G54	E48-R52 VanDerWaalsContact O-CB 3.27Å; E48-R52 WeakPolarHBondContact O-CB 3.39Å; E48-R52 PolarHBondContact O-N 2.63Å; E48-R52 IonicContact OE1-NH1 2.63Å; E48-R52 PolarHBondContact OE1-NH1 2.83Å; E49-R52 PolarHBondContact O-N 2.82Å; I50-R52 VanDerWaalsContact C-N 3.34Å; R52-G54 PolarHBondContact O-N 3.23Å
53	S	88.6	Confident	92	Very high	77 Å²	77	66.2 Å²	66.2	54%	0.538	32%	0.32	S	S	.	.	H	α-helix	trans	-68.6	-19.9	179	69.4	0	0	0	0	112.9	E49 I50 M55	E49-S53 WeakPolarHBondContact O-CB 2.94Å; E49-S53 PolarHBondContact O-N 3.49Å; E49-S53 PolarHBondContact O-OG 2.88Å; I50-S53 PolarHBondContact O-OG 3.25Å; S53-M55 WeakPolarHBondContact OG-CG 3.27Å
54	G	81	Confident	91.6	Very high	37 Å²	37	72.3 Å²	72.3	38%	0.381	35%	0.349	S	S	.	.	T	Hydrogen-bonded Turn	trans	64.8	41.1	176.7	0	0	0	0	0	112.5	I50 R51 R52 K56	I50-G54 PolarHBondContact O-N 3.38Å; R51-G54 PolarHBondContact O-N 2.97Å; R52-G54 PolarHBondContact O-N 3.23Å; G54-K56 PolarHBondContact O-N 2.72Å
55	M	83.4	Confident	90.9	Very high	28 Å²	28	79.4 Å²	79.4	14%	0.138	38%	0.375	C	S	.	.			trans	-48	111.1	177.8	-70.4	-176.7	66.4	0	0	110.8	I50 S53 N57 F58 D138 I141 Q142	I50-M55 HydrophobicContact CG1-SD 4.43Å; I50-M55 HydrophobicContact CG2-SD 4Å; S53-M55 WeakPolarHBondContact OG-CG 3.27Å; M55-N57 PolarHBondContact O-N 2.83Å; M55-F58 HydrophobicContact CB-CB 4.33Å; M55-F58 HydrophobicContact CE-CB 4.31Å; M55-F58 PolarHBondContact O-N 3.04Å; M55-D138 HydrophobicContact SD-CB 4.28Å; M55-I141 HydrophobicContact CE-CB 4.21Å; M55-I141 HydrophobicContact CE-CG2 3.65Å; M55-Q142 HydrophobicContact CE-CG 4.13Å
56	K	85.1	Confident	90.4	Very high	170 Å²	170	77.4 Å²	77.4	74%	0.739	38%	0.379	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.4	-33.9	-177.3	-64.7	-174.2	179.3	-174.7	0	112.1	G54 R59	G54-K56 PolarHBondContact O-N 2.72Å; K56-R59 WeakPolarHBondContact O-CD 3.46Å; K56-R59 VanDerWaalsContact O-CG 3.3Å; K56-R59 WeakPolarHBondContact O-CG 3.45Å
57	N	90	Very high	90.1	Very high	37 Å²	37	79.4 Å²	79.4	20%	0.198	39%	0.39	C	S	.	.	T	Hydrogen-bonded Turn	trans	-94.1	1.1	-170.3	-58.7	16.8	0	0	0	112.3	M55 I75 V76 D78 I145	M55-N57 PolarHBondContact O-N 2.83Å; N57-I75 WeakPolarHBondContact O-CA 3.39Å; N57-V76 PolarHBondContact O-N 2.93Å; N57-D78 PolarHBondContact ND2-OD2 3.38Å; N57-D78 PolarHBondContact OD1-OD2 2.92Å; N57-I145 HydrophobicContact CB-CD1 3.77Å; N57-I145 HydrophobicContact CB-CG2 4.43Å
58	F	93.7	Very high	90	Very high	5 Å²	5	80.8 Å²	80.8	2%	0.022	40%	0.397	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.3	104.9	173.9	-172.5	-121.2	0	0	0	110.4	I50 M55 I61 L74 I75 I89 I91 I141	I50-F58 HydrophobicContact CG2-CD1 4.4Å; M55-F58 HydrophobicContact CB-CB 4.33Å; M55-F58 HydrophobicContact CE-CB 4.31Å; M55-F58 PolarHBondContact O-N 3.04Å; F58-I61 HydrophobicContact CD1-CD1 3.5Å; F58-I61 VanDerWaalsContact CD1-CD1 3.5Å; F58-I61 HydrophobicContact CD1-CG1 3.73Å; F58-I61 HydrophobicContact CE1-CB 4.47Å; F58-I61 HydrophobicContact CE1-CD1 3.54Å; F58-I61 HydrophobicContact CE1-CG1 3.53Å; F58-I61 HydrophobicContact CE1-CG2 4.24Å; F58-I61 HydrophobicContact CZ-CG1 4.23Å; F58-L74 CarbonylContact C-O 3.59Å; F58-L74 WeakPolarHBondContact CA-O 3.2Å; F58-I75 HydrophobicContact CD2-CG1 4.34Å; F58-I89 HydrophobicContact CE2-CD1 3.78Å; F58-I89 HydrophobicContact CE2-CG1 3.87Å; F58-I89 HydrophobicContact CZ-CD1 4.4Å; F58-I91 HydrophobicContact CZ-CD1 4.5Å; F58-I141 HydrophobicContact CB-CG2 3.87Å; F58-I141 HydrophobicContact CD1-CD1 3.72Å; F58-I141 HydrophobicContact CD1-CG2 4.3Å; F58-I141 HydrophobicContact CD2-CG2 4.23Å; F58-I141 HydrophobicContact CE1-CD1 3.62Å; F58-I141 HydrophobicContact CG-CD1 4.35Å; F58-I141 HydrophobicContact CG-CG2 3.89Å; F58-I141 HydrophobicContact CZ-CD1 4.2Å
59	R	93.3	Very high	90.1	Very high	80 Å²	80	75.8 Å²	75.8	30%	0.302	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	171.1	-167.6	-57.3	-65.5	-77.9	-173.5	-9.3	111.5	K56 I61 L74 V76 P188 D190	K56-R59 WeakPolarHBondContact O-CD 3.46Å; K56-R59 VanDerWaalsContact O-CG 3.3Å; K56-R59 WeakPolarHBondContact O-CG 3.45Å; R59-I61 VanDerWaalsContact C-N 3.27Å; R59-I61 PolarHBondContact O-N 3.46Å; R59-L74 PolarHBondContact N-O 2.88Å; R59-L74 PolarHBondContact O-N 3.32Å; R59-V76 HydrophobicContact CB-CG2 4.28Å; R59-V76 HydrophobicContact CG-CG2 3.93Å; R59-P188 HydrophobicContact CB-CG 4.04Å; R59-P188 HydrophobicContact CG-CG 4.46Å; R59-D190 IonicContact NH2-OD1 3.52Å
60	N	92.9	Very high	90.2	Very high	81 Å²	81	74 Å²	74	43%	0.433	37%	0.369	S	S	.	.	E	Extended strand (participates in β ladder)	trans	50.7	46.2	175.3	-60.6	13.9	0	0	0	112.8	Q62 L74	N60-Q62 PolarHBondContact O-N 2.88Å; N60-L74 HydrophobicContact CB-CD1 3.98Å; N60-L74 HydrophobicContact CB-CG 4.41Å
61	I	94.3	Very high	90.3	Very high	29 Å²	29	73.8 Å²	73.8	15%	0.149	37%	0.368	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	113.1	-177.2	-50.2	176.7	0	0	0	109.5	L47 I50 F58 R59 V63 Q72	L47-I61 HydrophobicContact CD1-CG2 3.77Å; I50-I61 HydrophobicContact CG2-CD1 3.49Å; I50-I61 VanDerWaalsContact CG2-CD1 3.49Å; F58-I61 HydrophobicContact CD1-CD1 3.5Å; F58-I61 VanDerWaalsContact CD1-CD1 3.5Å; F58-I61 HydrophobicContact CD1-CG1 3.73Å; F58-I61 HydrophobicContact CE1-CB 4.47Å; F58-I61 HydrophobicContact CE1-CD1 3.54Å; F58-I61 HydrophobicContact CE1-CG1 3.53Å; F58-I61 HydrophobicContact CE1-CG2 4.24Å; F58-I61 HydrophobicContact CZ-CG1 4.23Å; R59-I61 VanDerWaalsContact C-N 3.27Å; R59-I61 PolarHBondContact O-N 3.46Å; I61-V63 HydrophobicContact CG2-CG2 4.12Å; I61-Q72 CarbonylContact C-O 3.32Å; I61-Q72 WeakPolarHBondContact CA-O 3.4Å
62	Q	94.4	Very high	90.6	Very high	110 Å²	110	69.7 Å²	69.7	51%	0.514	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.6	123.3	178.7	-68.7	173.2	-16	0	0	108.9	N60 Q72	N60-Q62 PolarHBondContact O-N 2.88Å; Q62-Q72 HydrophobicContact CB-CB 4.44Å; Q62-Q72 PolarHBondContact N-O 3.5Å; Q62-Q72 PolarHBondContact O-N 2.72Å
63	V	94.1	Very high	90.8	Very high	27 Å²	27	61.6 Å²	61.6	16%	0.164	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.8	127.8	175.9	-174.9	0	0	0	0	107	L47 I61 L68 W71	L47-V63 HydrophobicContact CD1-CG2 3.81Å; L47-V63 HydrophobicContact CD2-CB 3.94Å; L47-V63 HydrophobicContact CD2-CG1 4.21Å; L47-V63 HydrophobicContact CD2-CG2 3.71Å; L47-V63 HydrophobicContact CG-CG2 4.43Å; I61-V63 HydrophobicContact CG2-CG2 4.12Å; V63-L68 HydrophobicContact CG1-CD2 3.67Å; V63-W71 HydrophobicContact CG1-CG 4.41Å; V63-W71 HydrophobicContact CG2-CB 3.99Å; V63-W71 HydrophobicContact CG2-CD2 3.96Å; V63-W71 HydrophobicContact CG2-CG 3.55Å
64	E	88.5	Confident	91.1	Very high	128 Å²	128	58.1 Å²	58.1	60%	0.598	30%	0.3	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-73.6	132.7	176.1	-67.1	-179.9	-179.7	0	0	110.1	S66 N67	E64-S66 PolarHBondContact O-N 3.47Å; E64-N67 HydrophobicContact CB-CB 4.36Å; E64-N67 CarbonylContact O-C 3.58Å; E64-N67 PolarHBondContact O-N 3.46Å
65	E	78.9	Confident	91.8	Very high	192 Å²	192	56.3 Å²	56.3	90%	0.897	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-33.3	-179.8	-63.9	-178.2	176.1	0	0	112.4	N67	E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 3.35Å
66	S	85.3	Confident	92.4	Very high	101 Å²	101	55.6 Å²	55.6	71%	0.706	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-16.8	176.6	59.5	0	0	0	0	113.3	E64	E64-S66 PolarHBondContact O-N 3.47Å
67	N	88.4	Confident	92.8	Very high	52 Å²	52	47.5 Å²	47.5	28%	0.278	24%	0.243	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	78.8	-174.6	-173	20	0	0	0	112.9	E64 E65 L69 S70	E64-N67 HydrophobicContact CB-CB 4.36Å; E64-N67 CarbonylContact O-C 3.58Å; E64-N67 PolarHBondContact O-N 3.46Å; E65-N67 VanDerWaalsContact C-N 3.29Å; E65-N67 PolarHBondContact O-N 3.35Å; N67-L69 PolarHBondContact O-N 2.9Å; N67-L69 WeakPolarHBondContact OD1-CB 3.48Å; N67-L69 PolarHBondContact OD1-N 2.86Å; N67-S70 PolarHBondContact O-N 3.28Å
68	L	93.1	Very high	92.7	Very high	39 Å²	39	49.7 Å²	49.7	20%	0.204	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-65.9	-4.7	173.4	-63.4	-178.3	0	0	0	114.3	A44 V63 S70 W71	A44-L68 HydrophobicContact CB-CD1 3.99Å; V63-L68 HydrophobicContact CG1-CD2 3.67Å; L68-S70 VanDerWaalsContact C-N 3.35Å; L68-W71 PolarHBondContact O-NE1 3.12Å
69	L	95.4	Very high	92.6	Very high	14 Å²	14	53.2 Å²	53.2	7%	0.073	27%	0.274	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	-2.1	178.7	-58.7	178.6	0	0	0	113.3	K36 A39 L43 N67 F93 T95	K36-L69 HydrophobicContact CG-CD1 4.27Å; A39-L69 HydrophobicContact CB-CD2 4.02Å; L43-L69 HydrophobicContact CD1-CD2 3.6Å; N67-L69 PolarHBondContact O-N 2.9Å; N67-L69 WeakPolarHBondContact OD1-CB 3.48Å; N67-L69 PolarHBondContact OD1-N 2.86Å; L69-F93 HydrophobicContact CB-CB 4.33Å; L69-F93 HydrophobicContact CD2-CB 4.02Å; L69-F93 WeakPolarHBondContact O-CD2 3.29Å; L69-F93 PolarHBondContact O-N 2.93Å; L69-T95 HydrophobicContact CD1-CG2 3.76Å
70	S	96.2	Very high	92.5	Very high	31 Å²	31	53.5 Å²	53.5	22%	0.217	29%	0.286	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	116.6	176.6	-171.4	0	0	0	0	110.1	N67 L68	N67-S70 PolarHBondContact O-N 3.28Å; L68-S70 VanDerWaalsContact C-N 3.35Å
71	W	96.9	Very high	92.7	Very high	0 Å²	0	50 Å²	50	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	142	178.7	-61	11.2	0	0	0	109.2	L43 E46 L47 I50 V63 L68 E90 I91 F93 T137	L43-W71 HydrophobicContact CB-CZ2 3.98Å; L43-W71 HydrophobicContact CD2-CH2 4.47Å; L43-W71 HydrophobicContact CD2-CZ2 3.88Å; L43-W71 WeakPolarHBondContact O-CZ2 3.47Å; E46-W71 HydrophobicContact CB-CH2 4.27Å; L47-W71 HydrophobicContact CB-CH2 3.71Å; L47-W71 HydrophobicContact CB-CZ2 3.75Å; L47-W71 HydrophobicContact CB-CZ3 4.45Å; L47-W71 HydrophobicContact CD1-CD2 4.42Å; L47-W71 HydrophobicContact CD1-CE3 4.22Å; L47-W71 HydrophobicContact CD1-CH2 4.13Å; L47-W71 HydrophobicContact CD1-CZ2 4.32Å; L47-W71 HydrophobicContact CD1-CZ3 4.06Å; L47-W71 HydrophobicContact CG-CH2 4.5Å; L47-W71 HydrophobicContact CG-CZ2 4.48Å; I50-W71 HydrophobicContact CD1-CH2 4.25Å; I50-W71 HydrophobicContact CD1-CZ3 3.72Å; V63-W71 HydrophobicContact CG1-CG 4.41Å; V63-W71 HydrophobicContact CG2-CB 3.99Å; V63-W71 HydrophobicContact CG2-CD2 3.96Å; V63-W71 HydrophobicContact CG2-CG 3.55Å; L68-W71 PolarHBondContact O-NE1 3.12Å; W71-E90 CarbonylContact O-C 3.16Å; W71-E90 VanDerWaalsContact O-CA 3.31Å; W71-E90 WeakPolarHBondContact O-CA 3.38Å; W71-I91 HydrophobicContact CB-CB 4.34Å; W71-I91 PolarHBondContact N-O 3.23Å; W71-I91 PolarHBondContact O-N 3.28Å; W71-F93 HydrophobicContact CB-CE2 4.32Å; W71-F93 AromaticContact CD1-CE2 3.72Å; W71-F93 AromaticContact CD2-CE2 3.63Å; W71-F93 HydrophobicContact CD2-CE2 3.63Å; W71-F93 HydrophobicContact CD2-CZ 4.04Å; W71-F93 AromaticContact CE2-CE2 3.69Å; W71-F93 HydrophobicContact CE3-CE2 4.25Å; W71-F93 HydrophobicContact CE3-CZ 4.22Å; W71-F93 AromaticContact CG-CE2 3.66Å; W71-F93 HydrophobicContact CG-CE2 3.66Å; W71-F93 HydrophobicContact CG-CZ 4.48Å; W71-F93 HydrophobicContact CZ2-CE2 4.35Å; W71-F93 HydrophobicContact CZ2-CZ 4.37Å; W71-F93 HydrophobicContact CZ3-CZ 4.47Å; W71-F93 AromaticContact NE1-CE2 3.71Å; W71-T137 HydrophobicContact CE3-CG2 4.17Å; W71-T137 HydrophobicContact CH2-CG2 4.31Å; W71-T137 HydrophobicContact CZ3-CG2 3.69Å
72	Q	96.9	Very high	92.8	Very high	56 Å²	56	48.7 Å²	48.7	26%	0.262	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.3	148.8	167.3	-66.1	-172.7	2.1	0	0	109.9	I61 Q62 I89 E90	I61-Q72 CarbonylContact C-O 3.32Å; I61-Q72 WeakPolarHBondContact CA-O 3.4Å; Q62-Q72 HydrophobicContact CB-CB 4.44Å; Q62-Q72 PolarHBondContact N-O 3.5Å; Q62-Q72 PolarHBondContact O-N 2.72Å; Q72-I89 WeakPolarHBondContact CA-O 3.33Å; Q72-E90 HydrophobicContact CG-CB 4.24Å; Q72-E90 HydrophobicContact CG-CG 4.19Å; Q72-E90 PolarHBondContact NE2-OE1 2.93Å; Q72-E90 VanDerWaalsContact NE2-OE1 3.07Å
73	G	95.9	Very high	92.8	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-166.7	168.3	174.5	0	0	0	0	0	111.8	R88 I89	G73-R88 WeakPolarHBondContact O-CA 3.5Å; G73-I89 PolarHBondContact N-O 2.76Å; G73-I89 VanDerWaalsContact N-O 3.11Å; G73-I89 PolarHBondContact O-N 2.63Å
74	L	96.2	Very high	92.8	Very high	3 Å²	3	48.7 Å²	48.7	2%	0.016	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.7	119.4	178.8	-78.1	171.1	0	0	0	110.1	F58 R59 N60 A86 R88 E185 P188	F58-L74 CarbonylContact C-O 3.59Å; F58-L74 WeakPolarHBondContact CA-O 3.2Å; R59-L74 PolarHBondContact N-O 2.88Å; R59-L74 PolarHBondContact O-N 3.32Å; N60-L74 HydrophobicContact CB-CD1 3.98Å; N60-L74 HydrophobicContact CB-CG 4.41Å; L74-A86 HydrophobicContact CD2-CB 4.05Å; L74-R88 HydrophobicContact CD2-CB 3.89Å; L74-E185 HydrophobicContact CD2-CB 4.03Å; L74-E185 HydrophobicContact CD2-CG 4.31Å; L74-E185 WeakPolarHBondContact CD2-OE2 3.3Å; L74-P188 HydrophobicContact CD1-CG 4.41Å
75	I	96	Very high	93.1	Very high	0 Å²	0	42.7 Å²	42.7	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-74.8	131.7	162	-60.9	179.2	0	0	0	108.2	N57 F58 P77 A86 F87 I89 F106 L144 I145	N57-I75 WeakPolarHBondContact O-CA 3.39Å; F58-I75 HydrophobicContact CD2-CG1 4.34Å; I75-P77 HydrophobicContact CG2-CG 4.08Å; I75-P77 WeakPolarHBondContact O-CD 3.25Å; I75-A86 CarbonylContact O-C 3.12Å; I75-A86 VanDerWaalsContact O-CA 3.29Å; I75-A86 WeakPolarHBondContact O-CA 3.18Å; I75-A86 WeakPolarHBondContact O-CB 3.23Å; I75-F87 PolarHBondContact N-O 2.87Å; I75-F87 PolarHBondContact O-N 3.44Å; I75-I89 HydrophobicContact CD1-CD1 4.06Å; I75-I89 HydrophobicContact CD1-CG1 4.42Å; I75-I89 HydrophobicContact CD1-CG2 3.64Å; I75-I89 HydrophobicContact CG1-CD1 4.1Å; I75-I89 HydrophobicContact CG1-CG1 4.23Å; I75-I89 HydrophobicContact CG1-CG2 4.08Å; I75-F106 HydrophobicContact CD1-CE1 4.18Å; I75-F106 HydrophobicContact CD1-CZ 3.97Å; I75-L144 HydrophobicContact CD1-CD2 3.53Å; I75-L144 HydrophobicContact CD1-CG 3.79Å; I75-I145 HydrophobicContact CG2-CG1 3.91Å
76	V	94.6	Very high	94	Very high	12 Å²	12	33.5 Å²	33.5	7%	0.073	19%	0.188	C	C	.	.			trans	-119.4	92.4	177.1	-175.5	0	0	0	0	107.2	N57 R59 A86 R187 P188	N57-V76 PolarHBondContact O-N 2.93Å; R59-V76 HydrophobicContact CB-CG2 4.28Å; R59-V76 HydrophobicContact CG-CG2 3.93Å; V76-A86 HydrophobicContact CG2-CB 4.18Å; V76-R187 VanDerWaalsContact CG1-NH2 3.28Å; V76-P188 HydrophobicContact CG2-CG 4.41Å
77	P	93.4	Very high	94.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.154	C	C	.	.			trans	-68.9	146.7	178.5	-20	34.7	0	0	0	111	I75 F87 V148 R187	I75-P77 HydrophobicContact CG2-CG 4.08Å; I75-P77 WeakPolarHBondContact O-CD 3.25Å; P77-F87 HydrophobicContact CG-CD2 3.89Å; P77-F87 HydrophobicContact CG-CE2 3.94Å; P77-V148 HydrophobicContact CB-CG1 4.36Å; P77-V148 HydrophobicContact CG-CG1 3.9Å; P77-R187 PolarHBondContact O-NH1 2.82Å; P77-R187 PolarHBondContact O-NH2 3.36Å
78	D	89.2	Confident	95	Very high	83 Å²	83	28.3 Å²	28.3	44%	0.444	15%	0.149	S	C	.	.			trans	-97.1	-20.1	178.4	-62	-44.1	0	0	0	112.5	N57 D83	N57-D78 PolarHBondContact ND2-OD2 3.38Å; N57-D78 PolarHBondContact OD1-OD2 2.92Å; D78-D83 WeakPolarHBondContact O-CB 3.38Å
79	N	90.2	Very high	95.2	Very high	79 Å²	79	26.4 Å²	26.4	42%	0.422	14%	0.139	S	C	.	.	S	Bend	trans	-102.2	140.3	-171.5	-65.8	-20.8	0	0	0	111.9	Y82 D83	N79-Y82 PolarHBondContact O-N 3.23Å; N79-Y82 VanDerWaalsContact O-N 3.12Å; N79-D83 PolarHBondContact O-N 2.89Å; N79-D83 VanDerWaalsContact O-N 3.12Å
80	P	92.6	Very high	95.4	Very high	86 Å²	86	27.1 Å²	27.1	56%	0.558	14%	0.142	S	C	*	.	T	Hydrogen-bonded Turn	trans	-55.3	145.5	163.9	-22.8	33.4	0	0	0	110.6	D83	P80-D83 WeakPolarHBondContact CA-OD1 3.47Å
81	P	96.3	Very high	95.4	Very high	9 Å²	9	25.7 Å²	25.7	6%	0.058	13%	0.132	C	C	.	.	T	Hydrogen-bonded Turn	cis	-90.4	4.6	9.5	36.3	-35.9	0	0	0	114.5	F172 L173 A176 E177	P81-F172 HydrophobicContact CG-CE1 4.43Å; P81-L173 HydrophobicContact CB-CD2 4.03Å; P81-L173 WeakPolarHBondContact CB-O 3.27Å; P81-L173 HydrophobicContact CG-CD2 3.8Å; P81-A176 HydrophobicContact CB-CB 3.65Å; P81-A176 HydrophobicContact CG-CB 3.42Å; P81-A176 VanDerWaalsContact CG-CB 3.42Å; P81-E177 HydrophobicContact CB-CB 4.27Å
82	Y	96.8	Very high	95.4	Very high	1 Å²	1	29.4 Å²	29.4	0%	0.004	15%	0.151	C	C	.	.	T	Hydrogen-bonded Turn	trans	-100.2	-6.2	-169	-55.5	-61.2	0	0	0	114	N79 K84 G85 F87 I110 Y111 H112 V148 A176	N79-Y82 PolarHBondContact O-N 3.23Å; N79-Y82 VanDerWaalsContact O-N 3.12Å; Y82-K84 PolarHBondContact O-N 3.22Å; Y82-K84 VanDerWaalsContact O-N 3.12Å; Y82-G85 PolarHBondContact O-N 3.07Å; Y82-F87 HydrophobicContact CD1-CE2 4.34Å; Y82-F87 AromaticContact CD1-CZ 3.98Å; Y82-F87 HydrophobicContact CD1-CZ 3.98Å; Y82-F87 HydrophobicContact CG-CE2 4.46Å; Y82-I110 HydrophobicContact CD1-CD1 4.12Å; Y82-I110 HydrophobicContact CD1-CG1 4.18Å; Y82-I110 HydrophobicContact CE1-CD1 4.09Å; Y82-I110 HydrophobicContact CE1-CG1 3.91Å; Y82-Y111 WeakPolarHBondContact CE1-O 3.48Å; Y82-Y111 PolarHBondContact OH-O 3.44Å; Y82-H112 AromaticContact CE2-CD2 3.67Å; Y82-H112 AromaticContact CZ-CD2 3.59Å; Y82-H112 PolarHBondContact OH-CD2 3.36Å; Y82-H112 VanDerWaalsContact OH-CD2 3.23Å; Y82-V148 HydrophobicContact CD2-CG1 3.96Å; Y82-V148 VanDerWaalsContact CD2-O 3.23Å; Y82-V148 WeakPolarHBondContact CD2-O 3.33Å; Y82-V148 WeakPolarHBondContact CE2-O 3.39Å; Y82-V148 HydrophobicContact CG-CG1 4.32Å; Y82-A176 HydrophobicContact CE1-CB 4.12Å
83	D	94.6	Very high	95.4	Very high	28 Å²	28	27 Å²	27	15%	0.15	14%	0.14	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-12.5	-179.3	70.6	-38	0	0	0	114.7	D78 N79 P80 R187	D78-D83 WeakPolarHBondContact O-CB 3.38Å; N79-D83 PolarHBondContact O-N 2.89Å; N79-D83 VanDerWaalsContact O-N 3.12Å; P80-D83 WeakPolarHBondContact CA-OD1 3.47Å; D83-R187 VanDerWaalsContact O-CD 3.29Å; D83-R187 WeakPolarHBondContact O-CD 3.4Å; D83-R187 PolarHBondContact O-NE 3.29Å; D83-R187 PolarHBondContact O-NH1 2.95Å
84	K	93.4	Very high	95.4	Very high	109 Å²	109	28.5 Å²	28.5	47%	0.474	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.7	-5.8	179.2	-54.7	-47.5	-179.3	-150.9	0	114.4	Y82 E177 T180 K181	Y82-K84 PolarHBondContact O-N 3.22Å; Y82-K84 VanDerWaalsContact O-N 3.12Å; K84-E177 HydrophobicContact CG-CG 4.18Å; K84-T180 HydrophobicContact CB-CG2 4.41Å; K84-K181 HydrophobicContact CB-CG 4.12Å
85	G	94.9	Very high	95.3	Very high	1 Å²	1	29.8 Å²	29.8	1%	0.01	16%	0.157	C	C	.	.			trans	-140.9	-177.4	-179.1	0	0	0	0	0	112.7	Y82 R187	Y82-G85 PolarHBondContact O-N 3.07Å; G85-R187 WeakPolarHBondContact O-CG 3.38Å; G85-R187 PolarHBondContact O-NH1 3.46Å
86	A	96.6	Very high	95.2	Very high	0 Å²	0	32.7 Å²	32.7	0%	0	17%	0.171	C	C	.	.	B	Isolated β-bridge	trans	-128.2	156	167.6	0	0	0	0	0	109.6	L74 I75 V76 E185 R187	L74-A86 HydrophobicContact CD2-CB 4.05Å; I75-A86 CarbonylContact O-C 3.12Å; I75-A86 VanDerWaalsContact O-CA 3.29Å; I75-A86 WeakPolarHBondContact O-CA 3.18Å; I75-A86 WeakPolarHBondContact O-CB 3.23Å; V76-A86 HydrophobicContact CG2-CB 4.18Å; A86-E185 HydrophobicContact CB-CB 4.48Å; A86-E185 PolarHBondContact N-O 2.88Å; A86-E185 PolarHBondContact O-N 3.33Å; A86-R187 HydrophobicContact CB-CG 4.42Å
87	F	98.1	Very high	95.2	Very high	0 Å²	0	32.3 Å²	32.3	0%	0	17%	0.168	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127	117.1	-174.2	-59	-86.2	0	0	0	110.6	I75 P77 Y82 F106 T108 I110 T180	I75-F87 PolarHBondContact N-O 2.87Å; I75-F87 PolarHBondContact O-N 3.44Å; P77-F87 HydrophobicContact CG-CD2 3.89Å; P77-F87 HydrophobicContact CG-CE2 3.94Å; Y82-F87 HydrophobicContact CD1-CE2 4.34Å; Y82-F87 AromaticContact CD1-CZ 3.98Å; Y82-F87 HydrophobicContact CD1-CZ 3.98Å; Y82-F87 HydrophobicContact CG-CE2 4.46Å; F87-F106 HydrophobicContact CB-CD1 3.97Å; F87-F106 HydrophobicContact CB-CE1 3.88Å; F87-F106 HydrophobicContact CG-CE1 4.49Å; F87-T108 HydrophobicContact CD1-CG2 4.02Å; F87-I110 HydrophobicContact CD1-CB 3.84Å; F87-I110 HydrophobicContact CD1-CD1 3.88Å; F87-I110 HydrophobicContact CD1-CG1 3.95Å; F87-I110 HydrophobicContact CD2-CD1 4.27Å; F87-I110 HydrophobicContact CE1-CB 3.7Å; F87-I110 HydrophobicContact CE1-CD1 3.74Å; F87-I110 HydrophobicContact CE1-CG1 3.49Å; F87-I110 VanDerWaalsContact CE1-CG1 3.49Å; F87-I110 HydrophobicContact CE2-CD1 4.17Å; F87-I110 HydrophobicContact CG-CD1 4.14Å; F87-I110 HydrophobicContact CZ-CD1 3.87Å; F87-I110 HydrophobicContact CZ-CG1 3.9Å; F87-T180 HydrophobicContact CE2-CG2 4.35Å; F87-T180 HydrophobicContact CZ-CG2 3.78Å
88	R	97.9	Very high	95.3	Very high	43 Å²	43	33.2 Å²	33.2	16%	0.162	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	128.6	176.3	-175.2	173.4	-58	-83.2	-11.2	109.8	G73 L74 K107 T108 E185	G73-R88 WeakPolarHBondContact O-CA 3.5Å; L74-R88 HydrophobicContact CD2-CB 3.89Å; R88-K107 HydrophobicContact CB-CB 4.26Å; R88-K107 HydrophobicContact CG-CB 4.14Å; R88-K107 HydrophobicContact CG-CG 4.44Å; R88-K107 PolarHBondContact O-N 3.1Å; R88-T108 WeakPolarHBondContact CB-OG1 3.4Å; R88-T108 PolarHBondContact N-OG1 2.91Å; R88-T108 PolarHBondContact O-N 3.26Å; R88-E185 WeakPolarHBondContact CB-OE1 3.27Å; R88-E185 IonicContact CZ-OE1 3.44Å; R88-E185 IonicContact CZ-OE2 3.67Å; R88-E185 IonicContact NE-OE1 3.32Å; R88-E185 PolarHBondContact NE-OE1 2.85Å; R88-E185 IonicContact NE-OE2 2.8Å; R88-E185 PolarHBondContact NE-OE2 3.3Å; R88-E185 IonicContact NH2-OE1 3.87Å; R88-E185 IonicContact NH2-OE2 2.76Å; R88-E185 PolarHBondContact NH2-OE2 2.8Å
89	I	98	Very high	95.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.183	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.3	155.2	172.4	63.8	161.5	0	0	0	109.9	F58 Q72 G73 I75 I91 I104 T105 F106 L144	F58-I89 HydrophobicContact CE2-CD1 3.78Å; F58-I89 HydrophobicContact CE2-CG1 3.87Å; F58-I89 HydrophobicContact CZ-CD1 4.4Å; Q72-I89 WeakPolarHBondContact CA-O 3.33Å; G73-I89 PolarHBondContact N-O 2.76Å; G73-I89 VanDerWaalsContact N-O 3.11Å; G73-I89 PolarHBondContact O-N 2.63Å; I75-I89 HydrophobicContact CD1-CD1 4.06Å; I75-I89 HydrophobicContact CD1-CG1 4.42Å; I75-I89 HydrophobicContact CD1-CG2 3.64Å; I75-I89 HydrophobicContact CG1-CD1 4.1Å; I75-I89 HydrophobicContact CG1-CG1 4.23Å; I75-I89 HydrophobicContact CG1-CG2 4.08Å; I89-I91 HydrophobicContact CD1-CD1 4.05Å; I89-I91 HydrophobicContact CD1-CG1 3.99Å; I89-I104 HydrophobicContact CB-CG2 4.19Å; I89-I104 HydrophobicContact CD1-CG2 4.16Å; I89-T105 CarbonylContact C-O 3.58Å; I89-T105 WeakPolarHBondContact CA-O 3.38Å; I89-F106 HydrophobicContact CG2-CD1 3.78Å; I89-F106 HydrophobicContact CG2-CD2 4.14Å; I89-F106 HydrophobicContact CG2-CE1 3.74Å; I89-F106 HydrophobicContact CG2-CE2 4.1Å; I89-F106 HydrophobicContact CG2-CG 3.97Å; I89-F106 HydrophobicContact CG2-CZ 3.9Å; I89-L144 HydrophobicContact CD1-CD2 3.95Å; I89-L144 HydrophobicContact CG2-CD2 4.42Å
90	E	97.7	Very high	95.8	Very high	28 Å²	28	37.1 Å²	37.1	13%	0.131	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-118	134.2	166.8	-177.9	175.6	-97.4	0	0	108.7	W71 Q72 I92 I104 T105 K107	W71-E90 CarbonylContact O-C 3.16Å; W71-E90 VanDerWaalsContact O-CA 3.31Å; W71-E90 WeakPolarHBondContact O-CA 3.38Å; Q72-E90 HydrophobicContact CG-CB 4.24Å; Q72-E90 HydrophobicContact CG-CG 4.19Å; Q72-E90 PolarHBondContact NE2-OE1 2.93Å; Q72-E90 VanDerWaalsContact NE2-OE1 3.07Å; E90-I92 HydrophobicContact CG-CD1 4.47Å; E90-I92 HydrophobicContact CG-CG1 3.98Å; E90-I104 CarbonylContact O-C 3.52Å; E90-I104 WeakPolarHBondContact O-CA 3.48Å; E90-T105 PolarHBondContact N-O 3.28Å; E90-T105 PolarHBondContact O-N 3.39Å; E90-K107 HydrophobicContact CB-CD 4.46Å; E90-K107 HydrophobicContact CB-CG 4.27Å; E90-K107 VanDerWaalsContact CD-NZ 3.34Å; E90-K107 WeakPolarHBondContact OE1-CE 3.5Å; E90-K107 IonicContact OE1-NZ 2.7Å; E90-K107 WeakPolarHBondContact OE2-CE 3.46Å; E90-K107 IonicContact OE2-NZ 3.7Å; E90-K107 PolarHBondContact OE2-NZ 3.46Å
91	I	97.7	Very high	96.1	Very high	1 Å²	1	34.5 Å²	34.5	1%	0.005	17%	0.167	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-115.2	116.1	175.9	-48.5	177.4	0	0	0	107.1	F58 W71 I89 F93 P102 K103 I104 T137 I141	F58-I91 HydrophobicContact CZ-CD1 4.5Å; W71-I91 HydrophobicContact CB-CB 4.34Å; W71-I91 PolarHBondContact N-O 3.23Å; W71-I91 PolarHBondContact O-N 3.28Å; I89-I91 HydrophobicContact CD1-CD1 4.05Å; I89-I91 HydrophobicContact CD1-CG1 3.99Å; I91-F93 HydrophobicContact CB-CE2 4.11Å; I91-F93 HydrophobicContact CB-CZ 4.31Å; I91-F93 HydrophobicContact CG2-CD2 4.33Å; I91-F93 HydrophobicContact CG2-CE1 4.05Å; I91-F93 HydrophobicContact CG2-CE2 3.64Å; I91-F93 HydrophobicContact CG2-CZ 3.49Å; I91-F93 VanDerWaalsContact CG2-CZ 3.49Å; I91-P102 HydrophobicContact CG2-CB 3.85Å; I91-K103 CarbonylContact C-O 3.54Å; I91-K103 WeakPolarHBondContact CA-O 3.43Å; I91-I104 HydrophobicContact CG1-CG1 4.34Å; I91-I104 HydrophobicContact CG2-CG1 4.35Å; I91-T137 HydrophobicContact CD1-CG2 4.36Å; I91-I141 HydrophobicContact CD1-CD1 4.15Å; I91-I141 HydrophobicContact CD1-CG1 4Å
92	I	97.1	Very high	96.1	Very high	79 Å²	79	34.2 Å²	34.2	41%	0.405	17%	0.165	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	119.1	178.6	-57.5	179.4	0	0	0	108.5	E90 P102 K103	E90-I92 HydrophobicContact CG-CD1 4.47Å; E90-I92 HydrophobicContact CG-CG1 3.98Å; I92-P102 CarbonylContact O-C 3.56Å; I92-P102 WeakPolarHBondContact O-CA 2.94Å; I92-K103 PolarHBondContact N-O 3.22Å; I92-K103 PolarHBondContact O-N 3.49Å
93	F	97.1	Very high	96.1	Very high	5 Å²	5	41.4 Å²	41.4	2%	0.022	20%	0.196	C	C	.	.			trans	-93.4	130.3	176.7	-58.6	-90.1	0	0	0	109.9	L43 L69 W71 I91 Y97 P102 T137	L43-F93 HydrophobicContact CD1-CB 3.86Å; L43-F93 HydrophobicContact CD1-CD1 4.19Å; L43-F93 HydrophobicContact CD1-CD2 4.07Å; L43-F93 HydrophobicContact CD1-CG 3.77Å; L43-F93 HydrophobicContact CD2-CD1 3.49Å; L43-F93 VanDerWaalsContact CD2-CD1 3.49Å; L43-F93 HydrophobicContact CD2-CD2 4.08Å; L43-F93 HydrophobicContact CD2-CE1 3.42Å; L43-F93 VanDerWaalsContact CD2-CE1 3.42Å; L43-F93 HydrophobicContact CD2-CE2 4.03Å; L43-F93 HydrophobicContact CD2-CG 3.83Å; L43-F93 HydrophobicContact CD2-CZ 3.7Å; L43-F93 HydrophobicContact CG-CD1 4.47Å; L43-F93 HydrophobicContact CG-CG 4.47Å; L69-F93 HydrophobicContact CB-CB 4.33Å; L69-F93 HydrophobicContact CD2-CB 4.02Å; L69-F93 WeakPolarHBondContact O-CD2 3.29Å; L69-F93 PolarHBondContact O-N 2.93Å; W71-F93 HydrophobicContact CB-CE2 4.32Å; W71-F93 AromaticContact CD1-CE2 3.72Å; W71-F93 AromaticContact CD2-CE2 3.63Å; W71-F93 HydrophobicContact CD2-CE2 3.63Å; W71-F93 HydrophobicContact CD2-CZ 4.04Å; W71-F93 AromaticContact CE2-CE2 3.69Å; W71-F93 HydrophobicContact CE3-CE2 4.25Å; W71-F93 HydrophobicContact CE3-CZ 4.22Å; W71-F93 AromaticContact CG-CE2 3.66Å; W71-F93 HydrophobicContact CG-CE2 3.66Å; W71-F93 HydrophobicContact CG-CZ 4.48Å; W71-F93 HydrophobicContact CZ2-CE2 4.35Å; W71-F93 HydrophobicContact CZ2-CZ 4.37Å; W71-F93 HydrophobicContact CZ3-CZ 4.47Å; W71-F93 AromaticContact NE1-CE2 3.71Å; I91-F93 HydrophobicContact CB-CE2 4.11Å; I91-F93 HydrophobicContact CB-CZ 4.31Å; I91-F93 HydrophobicContact CG2-CD2 4.33Å; I91-F93 HydrophobicContact CG2-CE1 4.05Å; I91-F93 HydrophobicContact CG2-CE2 3.64Å; I91-F93 HydrophobicContact CG2-CZ 3.49Å; I91-F93 VanDerWaalsContact CG2-CZ 3.49Å; F93-Y97 HydrophobicContact CD1-CD1 4.45Å; F93-Y97 AromaticContact CD1-CD2 3.78Å; F93-Y97 HydrophobicContact CD1-CD2 3.78Å; F93-Y97 AromaticContact CD1-CE2 3.91Å; F93-Y97 HydrophobicContact CD1-CE2 3.91Å; F93-Y97 HydrophobicContact CD1-CG 4.07Å; F93-Y97 HydrophobicContact CE1-CE2 4.19Å; F93-P102 HydrophobicContact CD1-CB 3.69Å; F93-P102 HydrophobicContact CD1-CG 4.42Å; F93-P102 HydrophobicContact CE1-CB 3.83Å; F93-P102 HydrophobicContact CE1-CG 4.25Å; F93-P102 HydrophobicContact CG-CB 4.38Å; F93-T137 HydrophobicContact CE1-CG2 4.22Å; F93-T137 HydrophobicContact CZ-CG2 3.79Å
94	P	95.4	Very high	96.3	Very high	31 Å²	31	40.4 Å²	40.4	20%	0.201	19%	0.191	C	C	.	.			trans	-66.7	155.8	170.7	28.6	-33.6	0	0	0	110.6	E96 Y97 K100 P101	P94-E96 PolarHBondContact O-N 3.46Å; P94-Y97 WeakPolarHBondContact O-CB 3.28Å; P94-Y97 PolarHBondContact O-N 3.3Å; P94-K100 HydrophobicContact CB-CB 4.21Å; P94-K100 HydrophobicContact CG-CB 3.55Å; P94-P101 VanDerWaalsContact CD-O 3.31Å; P94-P101 WeakPolarHBondContact CD-O 3.34Å; P94-P101 WeakPolarHBondContact CG-O 3.5Å
95	T	93.1	Very high	96.5	Very high	30 Å²	30	36.3 Å²	36.3	18%	0.184	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.7	-23.8	176.3	48.2	0	0	0	0	112.1	F35 K36 L69 Y97	F35-T95 CarbonylContact C-O 3.44Å; K36-T95 HydrophobicContact CB-CG2 4.4Å; L69-T95 HydrophobicContact CD1-CG2 3.76Å; T95-Y97 VanDerWaalsContact C-N 3.3Å
96	E	93.8	Very high	96.7	Very high	61 Å²	61	36.7 Å²	36.7	29%	0.285	18%	0.176	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.1	7.3	174.9	-48.1	95.6	138	0	0	113.7	P94 F99 K100	P94-E96 PolarHBondContact O-N 3.46Å; E96-F99 WeakPolarHBondContact O-CA 3.22Å; E96-F99 WeakPolarHBondContact O-CB 3.48Å; E96-F99 WeakPolarHBondContact O-CD2 3.42Å; E96-F99 PolarHBondContact O-N 2.97Å; E96-K100 HydrophobicContact CB-CD 4.13Å; E96-K100 HydrophobicContact CB-CG 4.19Å; E96-K100 HydrophobicContact CG-CD 4.43Å; E96-K100 PolarHBondContact O-N 3.23Å; E96-K100 IonicContact OE1-NZ 2.75Å; E96-K100 PolarHBondContact OE1-NZ 3.32Å; E96-K100 IonicContact OE2-NZ 3.38Å
97	Y	95.3	Very high	96.7	Very high	4 Å²	4	41.7 Å²	41.7	2%	0.016	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.9	132.4	170.7	-178	-91.6	0	0	0	109.7	A39 R42 L43 E46 F93 P94 T95 W131	A39-Y97 VanDerWaalsContact CB-O 3.25Å; A39-Y97 WeakPolarHBondContact CB-O 3.21Å; R42-Y97 HydrophobicContact CG-CE1 4.16Å; R42-Y97 PolarHBondContact NH2-OH 3.48Å; L43-Y97 HydrophobicContact CD1-CD1 4.26Å; L43-Y97 HydrophobicContact CD2-CD1 3.96Å; L43-Y97 HydrophobicContact CD2-CE1 3.67Å; L43-Y97 HydrophobicContact CG-CD1 3.97Å; L43-Y97 HydrophobicContact CG-CE1 4.03Å; E46-Y97 PolarHBondContact OE1-OH 2.86Å; E46-Y97 PolarHBondContact OE2-OH 3.43Å; F93-Y97 HydrophobicContact CD1-CD1 4.45Å; F93-Y97 AromaticContact CD1-CD2 3.78Å; F93-Y97 HydrophobicContact CD1-CD2 3.78Å; F93-Y97 AromaticContact CD1-CE2 3.91Å; F93-Y97 HydrophobicContact CD1-CE2 3.91Å; F93-Y97 HydrophobicContact CD1-CG 4.07Å; F93-Y97 HydrophobicContact CE1-CE2 4.19Å; P94-Y97 WeakPolarHBondContact O-CB 3.28Å; P94-Y97 PolarHBondContact O-N 3.3Å; T95-Y97 VanDerWaalsContact C-N 3.3Å; Y97-W131 HydrophobicContact CD2-CZ2 4.14Å; Y97-W131 AromaticContact CE2-CH2 3.8Å; Y97-W131 HydrophobicContact CE2-CH2 3.8Å; Y97-W131 AromaticContact CE2-CZ2 3.63Å; Y97-W131 HydrophobicContact CE2-CZ2 3.63Å
98	P	95.5	Very high	96.7	Very high	20 Å²	20	42.2 Å²	42.2	13%	0.13	20%	0.201	C	C	.	.	T	Hydrogen-bonded Turn	cis	-95.7	9.7	14.1	40	-40.3	0	0	0	115.2	R42 K100 W131 P133	R42-P98 VanDerWaalsContact CZ-CB 3.47Å; P98-K100 VanDerWaalsContact C-N 3.32Å; P98-W131 PolarHBondContact O-NE1 2.86Å; P98-P133 HydrophobicContact CB-CB 4.18Å; P98-P133 HydrophobicContact CG-CB 4.21Å; P98-P133 VanDerWaalsContact O-CA 3.27Å; P98-P133 WeakPolarHBondContact O-CA 3.43Å; P98-P133 WeakPolarHBondContact O-CB 3.22Å
99	F	95.3	Very high	96.7	Very high	141 Å²	141	46.6 Å²	46.6	62%	0.618	22%	0.222	S	C	*	.	T	Hydrogen-bonded Turn	trans	-76	-22.7	-179.1	-56.3	-71.7	0	0	0	113.1	E96 P133	E96-F99 WeakPolarHBondContact O-CA 3.22Å; E96-F99 WeakPolarHBondContact O-CB 3.48Å; E96-F99 WeakPolarHBondContact O-CD2 3.42Å; E96-F99 PolarHBondContact O-N 2.97Å; F99-P133 HydrophobicContact CD1-CG 4.25Å
100	K	95.2	Very high	96.7	Very high	103 Å²	103	47.1 Å²	47.1	45%	0.448	22%	0.224	S	C	.	.	S	Bend	trans	-115.1	145.4	168.8	-68	-176.9	-176.1	169.3	0	110.4	P94 E96 P98	P94-K100 HydrophobicContact CB-CB 4.21Å; P94-K100 HydrophobicContact CG-CB 3.55Å; E96-K100 HydrophobicContact CB-CD 4.13Å; E96-K100 HydrophobicContact CB-CG 4.19Å; E96-K100 HydrophobicContact CG-CD 4.43Å; E96-K100 PolarHBondContact O-N 3.23Å; E96-K100 IonicContact OE1-NZ 2.75Å; E96-K100 PolarHBondContact OE1-NZ 3.32Å; E96-K100 IonicContact OE2-NZ 3.38Å; P98-K100 VanDerWaalsContact C-N 3.32Å
101	P	97.4	Very high	96.7	Very high	30 Å²	30	47.2 Å²	47.2	20%	0.195	22%	0.223	C	C	.	.			trans	-68.6	154.5	179.5	26.7	-33.4	0	0	0	112.2	P94 I126 W131	P94-P101 VanDerWaalsContact CD-O 3.31Å; P94-P101 WeakPolarHBondContact CD-O 3.34Å; P94-P101 WeakPolarHBondContact CG-O 3.5Å; P101-I126 HydrophobicContact CB-CB 4.01Å; P101-I126 WeakPolarHBondContact CB-O 3.34Å; P101-I126 VanDerWaalsContact CG-O 3.26Å; P101-I126 WeakPolarHBondContact CG-O 3.35Å; P101-W131 HydrophobicContact CB-CB 4.05Å; P101-W131 HydrophobicContact CB-CD2 3.52Å; P101-W131 HydrophobicContact CB-CE3 3.69Å; P101-W131 HydrophobicContact CB-CG 3.67Å; P101-W131 HydrophobicContact CB-CZ3 4.38Å; P101-W131 HydrophobicContact CG-CB 4.18Å; P101-W131 HydrophobicContact CG-CD2 4.45Å; P101-W131 HydrophobicContact CG-CG 4.1Å
102	P	97.6	Very high	96.7	Very high	3 Å²	3	47.1 Å²	47.1	2%	0.019	22%	0.223	C	C	.	.			trans	-69.9	161.9	166.7	31.9	-33.8	0	0	0	111.3	I91 I92 F93 I126	I91-P102 HydrophobicContact CG2-CB 3.85Å; I92-P102 CarbonylContact O-C 3.56Å; I92-P102 WeakPolarHBondContact O-CA 2.94Å; F93-P102 HydrophobicContact CD1-CB 3.69Å; F93-P102 HydrophobicContact CD1-CG 4.42Å; F93-P102 HydrophobicContact CE1-CB 3.83Å; F93-P102 HydrophobicContact CE1-CG 4.25Å; F93-P102 HydrophobicContact CG-CB 4.38Å; P102-I126 HydrophobicContact CG-CG2 3.99Å
103	K	96.9	Very high	96.7	Very high	153 Å²	153	43.4 Å²	43.4	67%	0.665	20%	0.204	S	C	*	.	E	Extended strand (participates in β ladder)	trans	-109.2	139.8	168.8	-66.1	-175.9	179.3	-177.2	0	109.6	I91 I92	I91-K103 CarbonylContact C-O 3.54Å; I91-K103 WeakPolarHBondContact CA-O 3.43Å; I92-K103 PolarHBondContact N-O 3.22Å; I92-K103 PolarHBondContact O-N 3.49Å
104	I	97.9	Very high	96.8	Very high	6 Å²	6	43.4 Å²	43.4	3%	0.031	20%	0.204	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.8	139.4	177	-51.6	176.8	0	0	0	109.2	I89 E90 I91 V121 L123 I126 V140 L144	I89-I104 HydrophobicContact CB-CG2 4.19Å; I89-I104 HydrophobicContact CD1-CG2 4.16Å; E90-I104 CarbonylContact O-C 3.52Å; E90-I104 WeakPolarHBondContact O-CA 3.48Å; I91-I104 HydrophobicContact CG1-CG1 4.34Å; I91-I104 HydrophobicContact CG2-CG1 4.35Å; I104-V121 HydrophobicContact CB-CG1 4.16Å; I104-V121 HydrophobicContact CG2-CG1 4.47Å; I104-L123 HydrophobicContact CD1-CD1 3.91Å; I104-I126 HydrophobicContact CD1-CD1 4.2Å; I104-I126 HydrophobicContact CG1-CD1 4.14Å; I104-V140 HydrophobicContact CD1-CG1 3.54Å; I104-L144 HydrophobicContact CD1-CD2 3.99Å; I104-L144 HydrophobicContact CG2-CD2 3.81Å
105	T	98	Very high	96.9	Very high	24 Å²	24	41.9 Å²	41.9	15%	0.147	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.1	130.7	174.4	-62.6	0	0	0	0	110.3	I89 E90 G119 Q120	I89-T105 CarbonylContact C-O 3.58Å; I89-T105 WeakPolarHBondContact CA-O 3.38Å; E90-T105 PolarHBondContact N-O 3.28Å; E90-T105 PolarHBondContact O-N 3.39Å; T105-G119 CarbonylContact C-O 3.54Å; T105-G119 WeakPolarHBondContact CA-O 3.47Å; T105-Q120 PolarHBondContact OG1-NE2 3.36Å
106	F	98.3	Very high	97	Very high	8 Å²	8	42.6 Å²	42.6	4%	0.035	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.2	125.5	170.3	-76.3	-105.1	0	0	0	109.9	I75 F87 I89 I110 I115 G119 V121 L144 V148	I75-F106 HydrophobicContact CD1-CE1 4.18Å; I75-F106 HydrophobicContact CD1-CZ 3.97Å; F87-F106 HydrophobicContact CB-CD1 3.97Å; F87-F106 HydrophobicContact CB-CE1 3.88Å; F87-F106 HydrophobicContact CG-CE1 4.49Å; I89-F106 HydrophobicContact CG2-CD1 3.78Å; I89-F106 HydrophobicContact CG2-CD2 4.14Å; I89-F106 HydrophobicContact CG2-CE1 3.74Å; I89-F106 HydrophobicContact CG2-CE2 4.1Å; I89-F106 HydrophobicContact CG2-CG 3.97Å; I89-F106 HydrophobicContact CG2-CZ 3.9Å; F106-I110 HydrophobicContact CD1-CG2 4.28Å; F106-I110 HydrophobicContact CE1-CD1 4.41Å; F106-I115 HydrophobicContact CB-CG2 4.46Å; F106-I115 HydrophobicContact CD1-CD1 4.42Å; F106-I115 HydrophobicContact CD2-CD1 3.96Å; F106-I115 HydrophobicContact CD2-CG1 4.35Å; F106-I115 HydrophobicContact CD2-CG2 3.96Å; F106-I115 HydrophobicContact CE1-CD1 3.99Å; F106-I115 HydrophobicContact CE2-CD1 3.48Å; F106-I115 VanDerWaalsContact CE2-CD1 3.48Å; F106-I115 HydrophobicContact CE2-CG1 4.08Å; F106-I115 HydrophobicContact CG-CD1 4.42Å; F106-I115 HydrophobicContact CG-CG2 4.24Å; F106-I115 HydrophobicContact CZ-CD1 3.5Å; F106-G119 PolarHBondContact N-O 3.47Å; F106-V121 HydrophobicContact CE2-CB 4.48Å; F106-V121 HydrophobicContact CE2-CG1 4.45Å; F106-L144 HydrophobicContact CE2-CD1 3.76Å; F106-L144 HydrophobicContact CE2-CD2 4.23Å; F106-L144 HydrophobicContact CE2-CG 4.46Å; F106-L144 HydrophobicContact CZ-CD1 3.88Å; F106-L144 HydrophobicContact CZ-CD2 4.24Å; F106-L144 HydrophobicContact CZ-CG 4.29Å; F106-V148 HydrophobicContact CE1-CG2 4.48Å; F106-V148 HydrophobicContact CZ-CG2 3.94Å
107	K	97.9	Very high	97.1	Very high	105 Å²	105	47.2 Å²	47.2	46%	0.457	22%	0.219	S	C	.	.	S	Bend	trans	-88.3	-32.9	170.9	-60.1	-62	-178.1	177.5	0	111	R88 E90	R88-K107 HydrophobicContact CB-CB 4.26Å; R88-K107 HydrophobicContact CG-CB 4.14Å; R88-K107 HydrophobicContact CG-CG 4.44Å; R88-K107 PolarHBondContact O-N 3.1Å; E90-K107 HydrophobicContact CB-CD 4.46Å; E90-K107 HydrophobicContact CB-CG 4.27Å; E90-K107 VanDerWaalsContact CD-NZ 3.34Å; E90-K107 WeakPolarHBondContact OE1-CE 3.5Å; E90-K107 IonicContact OE1-NZ 2.7Å; E90-K107 WeakPolarHBondContact OE2-CE 3.46Å; E90-K107 IonicContact OE2-NZ 3.7Å; E90-K107 PolarHBondContact OE2-NZ 3.46Å
108	T	97.6	Very high	97.1	Very high	12 Å²	12	55.1 Å²	55.1	7%	0.074	25%	0.253	C	S	.	.	S	Bend	trans	-84.1	132.2	172.3	-48.9	0	0	0	0	109.8	F87 R88 H183 E185	F87-T108 HydrophobicContact CD1-CG2 4.02Å; R88-T108 WeakPolarHBondContact CB-OG1 3.4Å; R88-T108 PolarHBondContact N-OG1 2.91Å; R88-T108 PolarHBondContact O-N 3.26Å; T108-H183 WeakPolarHBondContact CG2-O 3.1Å; T108-E185 HydrophobicContact CG2-CG 4.34Å; T108-E185 PolarHBondContact OG1-OE1 3.32Å
109	K	97.3	Very high	97.1	Very high	135 Å²	135	54.5 Å²	54.5	59%	0.587	25%	0.25	S	S	*	.			trans	-63.2	140.3	175.3	-63.4	-175.5	177.5	-174.3	0	110.2	F179 H183	K109-F179 HydrophobicContact CB-CE1 3.77Å; K109-F179 HydrophobicContact CB-CZ 3.99Å; K109-H183 HydrophobicContact CB-CB 4.29Å
110	I	98	Very high	97.2	Very high	10 Å²	10	51.7 Å²	51.7	5%	0.051	24%	0.239	C	C	.	.			trans	-137	144.3	178.1	-169.7	171.5	0	0	0	110.6	Y82 F87 F106 H112 I115 V148	Y82-I110 HydrophobicContact CD1-CD1 4.12Å; Y82-I110 HydrophobicContact CD1-CG1 4.18Å; Y82-I110 HydrophobicContact CE1-CD1 4.09Å; Y82-I110 HydrophobicContact CE1-CG1 3.91Å; F87-I110 HydrophobicContact CD1-CB 3.84Å; F87-I110 HydrophobicContact CD1-CD1 3.88Å; F87-I110 HydrophobicContact CD1-CG1 3.95Å; F87-I110 HydrophobicContact CD2-CD1 4.27Å; F87-I110 HydrophobicContact CE1-CB 3.7Å; F87-I110 HydrophobicContact CE1-CD1 3.74Å; F87-I110 HydrophobicContact CE1-CG1 3.49Å; F87-I110 VanDerWaalsContact CE1-CG1 3.49Å; F87-I110 HydrophobicContact CE2-CD1 4.17Å; F87-I110 HydrophobicContact CG-CD1 4.14Å; F87-I110 HydrophobicContact CZ-CD1 3.87Å; F87-I110 HydrophobicContact CZ-CG1 3.9Å; F106-I110 HydrophobicContact CD1-CG2 4.28Å; F106-I110 HydrophobicContact CE1-CD1 4.41Å; I110-H112 HydrophobicContact CD1-CB 4.23Å; I110-H112 HydrophobicContact CG1-CB 4.07Å; I110-H112 HydrophobicContact CG2-CB 4.22Å; I110-H112 PolarHBondContact O-N 3.07Å; I110-I115 HydrophobicContact CD1-CD1 4.13Å; I110-I115 HydrophobicContact CG2-CB 3.87Å; I110-I115 HydrophobicContact CG2-CD1 3.64Å; I110-I115 HydrophobicContact CG2-CG1 4.36Å; I110-I115 HydrophobicContact CG2-CG2 3.61Å; I110-V148 HydrophobicContact CD1-CG1 4.33Å
111	Y	98	Very high	97.2	Very high	30 Å²	30	47.6 Å²	47.6	12%	0.118	22%	0.222	C	C	.	.			trans	-94.3	87.2	174.5	-167.2	-88.3	0	0	0	109	Y82 L161 E164 F172 N175 A176 F179	Y82-Y111 WeakPolarHBondContact CE1-O 3.48Å; Y82-Y111 PolarHBondContact OH-O 3.44Å; Y111-L161 HydrophobicContact CD1-CD1 3.97Å; Y111-L161 HydrophobicContact CD1-CD2 4.36Å; Y111-L161 HydrophobicContact CD2-CD1 4.19Å; Y111-L161 HydrophobicContact CD2-CD2 4.33Å; Y111-L161 HydrophobicContact CE1-CD1 4.05Å; Y111-L161 HydrophobicContact CE1-CD2 3.61Å; Y111-L161 HydrophobicContact CE1-CG 4.39Å; Y111-L161 HydrophobicContact CE2-CD1 4.25Å; Y111-L161 HydrophobicContact CE2-CD2 3.56Å; Y111-L161 HydrophobicContact CG-CD1 4.07Å; Y111-L161 WeakPolarHBondContact OH-CD2 3.28Å; Y111-E164 PolarHBondContact OH-OE1 2.84Å; Y111-F172 HydrophobicContact CD1-CD2 4.29Å; Y111-F172 AromaticContact CD1-CE2 3.86Å; Y111-F172 HydrophobicContact CD1-CE2 3.86Å; Y111-F172 HydrophobicContact CD1-CZ 4.3Å; Y111-F172 AromaticContact CE1-CD2 3.74Å; Y111-F172 HydrophobicContact CE1-CD2 3.74Å; Y111-F172 AromaticContact CE1-CE2 3.73Å; Y111-F172 HydrophobicContact CE1-CE2 3.73Å; Y111-N175 HydrophobicContact CE1-CB 3.99Å; Y111-A176 HydrophobicContact CD1-CB 3.84Å; Y111-F179 HydrophobicContact CD2-CD2 4.15Å; Y111-F179 HydrophobicContact CD2-CG 4.31Å; Y111-F179 HydrophobicContact CG-CB 4.41Å; Y111-F179 HydrophobicContact CG-CG 4.45Å
112	H	98	Very high	96.9	Very high	0 Å²	0	50.4 Å²	50.4	0%	0	24%	0.242	C	C	.	.			trans	-144.8	136.7	-172.1	-166.6	-81.1	0	0	0	110.9	Y82 I110 N114 I115 L147	Y82-H112 AromaticContact CE2-CD2 3.67Å; Y82-H112 AromaticContact CZ-CD2 3.59Å; Y82-H112 PolarHBondContact OH-CD2 3.36Å; Y82-H112 VanDerWaalsContact OH-CD2 3.23Å; I110-H112 HydrophobicContact CD1-CB 4.23Å; I110-H112 HydrophobicContact CG1-CB 4.07Å; I110-H112 HydrophobicContact CG2-CB 4.22Å; I110-H112 PolarHBondContact O-N 3.07Å; H112-N114 VanDerWaalsContact C-N 3.33Å; H112-N114 PolarHBondContact CE1-OD1 3.06Å; H112-N114 VanDerWaalsContact CE1-OD1 3.22Å; H112-N114 PolarHBondContact ND1-N 3.21Å; H112-N114 VanDerWaalsContact ND1-N 3.1Å; H112-N114 PolarHBondContact O-N 3.45Å; H112-I115 HydrophobicContact CB-CB 4.2Å; H112-I115 HydrophobicContact CB-CD1 4.01Å; H112-I115 HydrophobicContact CB-CG1 4.3Å; H112-I115 PolarHBondContact O-N 3.42Å; H112-L147 PolarHBondContact CE1-O 2.83Å; H112-L147 PolarHBondContact NE2-O 3.11Å
113	P	97.7	Very high	96.7	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-30.1	-176.1	26.8	-35	0	0	0	113.5	P151 P156 L157 R158 L161 A162	P113-P151 HydrophobicContact CG-CB 3.49Å; P113-P151 VanDerWaalsContact CG-CB 3.49Å; P113-P151 HydrophobicContact CG-CG 4.48Å; P113-P156 HydrophobicContact CB-CB 4.37Å; P113-L157 PolarHBondContact O-N 3Å; P113-R158 PolarHBondContact O-N 2.88Å; P113-L161 HydrophobicContact CB-CB 4.09Å; P113-A162 HydrophobicContact CB-CB 3.99Å
114	N	97.8	Very high	96.5	Very high	5 Å²	5	46.8 Å²	46.8	3%	0.027	23%	0.234	C	C	.	.	T	Hydrogen-bonded Turn	trans	-91.7	6.4	179.7	-49	99.1	0	0	0	114.7	H112 L147 Q152 H155 L157	H112-N114 VanDerWaalsContact C-N 3.33Å; H112-N114 PolarHBondContact CE1-OD1 3.06Å; H112-N114 VanDerWaalsContact CE1-OD1 3.22Å; H112-N114 PolarHBondContact ND1-N 3.21Å; H112-N114 VanDerWaalsContact ND1-N 3.1Å; H112-N114 PolarHBondContact O-N 3.45Å; N114-L147 HydrophobicContact CB-CD1 4.05Å; N114-L147 HydrophobicContact CB-CD2 4.02Å; N114-L147 HydrophobicContact CB-CG 4.21Å; N114-Q152 PolarHBondContact ND2-O 3.32Å; N114-Q152 PolarHBondContact OD1-N 3.3Å; N114-H155 PolarHBondContact ND2-O 3.14Å; N114-L157 WeakPolarHBondContact O-CD1 3.28Å
115	I	98	Very high	96.4	Very high	0 Å²	0	48.2 Å²	48.2	0%	0	24%	0.243	C	C	.	.	B	Isolated β-bridge	trans	-127.1	126.6	178.8	-58.3	164.8	0	0	0	108.3	F106 I110 H112 Q120 V121 V148 R158	F106-I115 HydrophobicContact CB-CG2 4.46Å; F106-I115 HydrophobicContact CD1-CD1 4.42Å; F106-I115 HydrophobicContact CD2-CD1 3.96Å; F106-I115 HydrophobicContact CD2-CG1 4.35Å; F106-I115 HydrophobicContact CD2-CG2 3.96Å; F106-I115 HydrophobicContact CE1-CD1 3.99Å; F106-I115 HydrophobicContact CE2-CD1 3.48Å; F106-I115 VanDerWaalsContact CE2-CD1 3.48Å; F106-I115 HydrophobicContact CE2-CG1 4.08Å; F106-I115 HydrophobicContact CG-CD1 4.42Å; F106-I115 HydrophobicContact CG-CG2 4.24Å; F106-I115 HydrophobicContact CZ-CD1 3.5Å; I110-I115 HydrophobicContact CD1-CD1 4.13Å; I110-I115 HydrophobicContact CG2-CB 3.87Å; I110-I115 HydrophobicContact CG2-CD1 3.64Å; I110-I115 HydrophobicContact CG2-CG1 4.36Å; I110-I115 HydrophobicContact CG2-CG2 3.61Å; H112-I115 HydrophobicContact CB-CB 4.2Å; H112-I115 HydrophobicContact CB-CD1 4.01Å; H112-I115 HydrophobicContact CB-CG1 4.3Å; H112-I115 PolarHBondContact O-N 3.42Å; I115-Q120 WeakPolarHBondContact CA-O 3.33Å; I115-V121 HydrophobicContact CG1-CB 4.25Å; I115-V121 HydrophobicContact CG1-CG2 4.11Å; I115-V148 HydrophobicContact CD1-CG2 4.32Å; I115-R158 WeakPolarHBondContact O-CD 3.26Å
116	D	96.4	Very high	96.2	Very high	44 Å²	44	48 Å²	48	24%	0.235	24%	0.24	C	C	.	.			trans	-78.8	173.2	179.9	82.7	2.1	0	0	0	112.6	K118 G119 Q120 L157	D116-K118 PolarHBondContact O-N 3.38Å; D116-K118 VanDerWaalsContact OD1-CA 3.26Å; D116-K118 WeakPolarHBondContact OD1-CA 3.47Å; D116-K118 WeakPolarHBondContact OD1-CB 3.33Å; D116-K118 PolarHBondContact OD1-N 3.34Å; D116-G119 PolarHBondContact O-N 2.95Å; D116-G119 PolarHBondContact OD1-N 2.91Å; D116-Q120 PolarHBondContact N-O 2.94Å; D116-Q120 PolarHBondContact OD1-N 3.43Å; D116-Q120 WeakPolarHBondContact OD2-CB 3.39Å; D116-L157 HydrophobicContact CB-CB 4.3Å; D116-L157 HydrophobicContact CB-CD1 4.31Å
117	E	94.2	Very high	96	Very high	159 Å²	159	49 Å²	49	74%	0.743	25%	0.248	S	C	*	.	T	Hydrogen-bonded Turn	trans	-66.7	-17.3	-180	-60.2	-170.3	157.7	0	0	114.2	G119	E117-G119 VanDerWaalsContact C-N 3.31Å
118	K	95.3	Very high	95.7	Very high	170 Å²	170	48.5 Å²	48.5	74%	0.739	26%	0.264	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.3	2.6	174.4	-60.4	178.7	-177.8	175.3	0	111.8	D116 Q120	D116-K118 PolarHBondContact O-N 3.38Å; D116-K118 VanDerWaalsContact OD1-CA 3.26Å; D116-K118 WeakPolarHBondContact OD1-CA 3.47Å; D116-K118 WeakPolarHBondContact OD1-CB 3.33Å; D116-K118 PolarHBondContact OD1-N 3.34Å; K118-Q120 VanDerWaalsContact C-N 3.33Å; K118-Q120 HydrophobicContact CB-CG 4.41Å
119	G	96.5	Very high	95.5	Very high	6 Å²	6	55.9 Å²	55.9	6%	0.062	30%	0.297	C	S	.	.			trans	76.8	12.7	-179.4	0	0	0	0	0	114.8	T105 F106 D116 E117	T105-G119 CarbonylContact C-O 3.54Å; T105-G119 WeakPolarHBondContact CA-O 3.47Å; F106-G119 PolarHBondContact N-O 3.47Å; D116-G119 PolarHBondContact O-N 2.95Å; D116-G119 PolarHBondContact OD1-N 2.91Å; E117-G119 VanDerWaalsContact C-N 3.31Å
120	Q	96.8	Very high	95.4	Very high	83 Å²	83	53.4 Å²	53.4	39%	0.388	29%	0.29	S	S	.	.	B	Isolated β-bridge	trans	-71.2	144	173.7	-55.7	-59	-67.3	0	0	110.1	T105 I115 D116 K118 L157	T105-Q120 PolarHBondContact OG1-NE2 3.36Å; I115-Q120 WeakPolarHBondContact CA-O 3.33Å; D116-Q120 PolarHBondContact N-O 2.94Å; D116-Q120 PolarHBondContact OD1-N 3.43Å; D116-Q120 WeakPolarHBondContact OD2-CB 3.39Å; K118-Q120 VanDerWaalsContact C-N 3.33Å; K118-Q120 HydrophobicContact CB-CG 4.41Å; Q120-L157 VanDerWaalsContact O-CD1 3.28Å; Q120-L157 WeakPolarHBondContact O-CD1 3.3Å
121	V	95.8	Very high	95.3	Very high	16 Å²	16	54.1 Å²	54.1	10%	0.097	29%	0.292	C	S	.	.	B	Isolated β-bridge	trans	-134.5	136	178.9	62.9	0	0	0	0	109.7	I104 F106 I115 L123 L144 L147	I104-V121 HydrophobicContact CB-CG1 4.16Å; I104-V121 HydrophobicContact CG2-CG1 4.47Å; F106-V121 HydrophobicContact CE2-CB 4.48Å; F106-V121 HydrophobicContact CE2-CG1 4.45Å; I115-V121 HydrophobicContact CG1-CB 4.25Å; I115-V121 HydrophobicContact CG1-CG2 4.11Å; V121-L123 HydrophobicContact CG1-CD1 4.29Å; V121-L123 HydrophobicContact CG2-CG 4.08Å; V121-L144 HydrophobicContact CG1-CD1 4.29Å; V121-L144 HydrophobicContact CG2-CD1 4.1Å; V121-L147 HydrophobicContact CG2-CD2 3.67Å
122	C	90.7	Very high	95.2	Very high	90 Å²	90	59.4 Å²	59.4	61%	0.608	32%	0.316	S	S	*	.			trans	-95.1	104.2	170.9	-72.8	0	0	0	0	108.9
123	L	93.6	Very high	95.1	Very high	7 Å²	7	62 Å²	62	4%	0.037	33%	0.333	C	S	.	.			trans	-108.1	121.3	175.8	-86.7	168.8	0	0	0	109.8	I104 V121 V125 I126 S127 L144 L147	I104-L123 HydrophobicContact CD1-CD1 3.91Å; V121-L123 HydrophobicContact CG1-CD1 4.29Å; V121-L123 HydrophobicContact CG2-CG 4.08Å; L123-V125 HydrophobicContact CB-CG1 4.39Å; L123-V125 PolarHBondContact O-N 2.81Å; L123-I126 HydrophobicContact CB-CD1 3.93Å; L123-I126 HydrophobicContact CB-CG1 3.62Å; L123-I126 HydrophobicContact CD1-CD1 4.27Å; L123-I126 WeakPolarHBondContact O-CG1 3.13Å; L123-I126 PolarHBondContact O-N 2.81Å; L123-I126 VanDerWaalsContact O-N 3.09Å; L123-S127 PolarHBondContact O-N 3.47Å; L123-L144 HydrophobicContact CD1-CB 3.76Å; L123-L144 HydrophobicContact CD1-CD1 3.78Å; L123-L144 HydrophobicContact CD1-CG 4.22Å; L123-L144 HydrophobicContact CG-CD1 4.4Å; L123-L147 HydrophobicContact CD2-CB 4.2Å; L123-L147 HydrophobicContact CD2-CD2 3.72Å; L123-L147 HydrophobicContact CG-CD2 4.27Å
124	P	92.7	Very high	95	Very high	73 Å²	73	66 Å²	66	47%	0.474	37%	0.366	S	S	.	.	G	3₁₀ helix	trans	-53.6	-40.3	-179.8	-29.2	35.6	0	0	0	113	I126 S127 N130	P124-I126 PolarHBondContact O-N 3.23Å; P124-I126 VanDerWaalsContact O-N 3.15Å; P124-S127 WeakPolarHBondContact O-CB 3.44Å; P124-S127 PolarHBondContact O-N 3.34Å; P124-S127 PolarHBondContact O-OG 2.95Å; P124-N130 WeakPolarHBondContact O-CB 3.35Å
125	V	94.8	Very high	95	Very high	36 Å²	36	66.6 Å²	66.6	22%	0.218	37%	0.37	C	S	.	.	G	3₁₀ helix	trans	-62.1	-23.8	-177.7	68.2	0	0	0	0	114.2	L123 T135 V140	L123-V125 HydrophobicContact CB-CG1 4.39Å; L123-V125 PolarHBondContact O-N 2.81Å; V125-T135 HydrophobicContact CG2-CG2 3.76Å; V125-V140 HydrophobicContact CG1-CG2 4.31Å; V125-V140 HydrophobicContact CG2-CG2 4.46Å
126	I	94.8	Very high	94.9	Very high	19 Å²	19	70.2 Å²	70.2	10%	0.097	39%	0.386	C	S	.	.	G	3₁₀ helix	trans	-110.7	7.1	176.9	61.3	173.9	0	0	0	113.1	P101 P102 I104 L123 P124 W131 V140	P101-I126 HydrophobicContact CB-CB 4.01Å; P101-I126 WeakPolarHBondContact CB-O 3.34Å; P101-I126 VanDerWaalsContact CG-O 3.26Å; P101-I126 WeakPolarHBondContact CG-O 3.35Å; P102-I126 HydrophobicContact CG-CG2 3.99Å; I104-I126 HydrophobicContact CD1-CD1 4.2Å; I104-I126 HydrophobicContact CG1-CD1 4.14Å; L123-I126 HydrophobicContact CB-CD1 3.93Å; L123-I126 HydrophobicContact CB-CG1 3.62Å; L123-I126 HydrophobicContact CD1-CD1 4.27Å; L123-I126 WeakPolarHBondContact O-CG1 3.13Å; L123-I126 PolarHBondContact O-N 2.81Å; L123-I126 VanDerWaalsContact O-N 3.09Å; P124-I126 PolarHBondContact O-N 3.23Å; P124-I126 VanDerWaalsContact O-N 3.15Å; I126-W131 HydrophobicContact CG2-CE3 4.31Å; I126-W131 HydrophobicContact CG2-CZ3 4.12Å; I126-V140 HydrophobicContact CG2-CB 4.36Å; I126-V140 HydrophobicContact CG2-CG1 3.63Å; I126-V140 HydrophobicContact CG2-CG2 3.73Å
127	S	94	Very high	94.8	Very high	29 Å²	29	68.2 Å²	68.2	20%	0.203	38%	0.375	C	S	.	.	S	Bend	trans	-64.9	143	171.3	66	0	0	0	0	110	L123 P124 E129 N130 W131	L123-S127 PolarHBondContact O-N 3.47Å; P124-S127 WeakPolarHBondContact O-CB 3.44Å; P124-S127 PolarHBondContact O-N 3.34Å; P124-S127 PolarHBondContact O-OG 2.95Å; S127-E129 PolarHBondContact O-N 3.21Å; S127-E129 VanDerWaalsContact O-N 3.13Å; S127-E129 WeakPolarHBondContact OG-CG 3.34Å; S127-N130 PolarHBondContact O-N 2.79Å; S127-N130 VanDerWaalsContact O-N 3.14Å; S127-N130 WeakPolarHBondContact OG-CB 3.5Å; S127-N130 PolarHBondContact OG-N 2.85Å; S127-N130 PolarHBondContact OG-ND2 2.84Å; S127-W131 VanDerWaalsContact O-CB 3.3Å; S127-W131 WeakPolarHBondContact O-CB 3.18Å; S127-W131 PolarHBondContact O-N 2.75Å
128	A	91.9	Very high	94.9	Very high	94 Å²	94	62.7 Å²	62.7	78%	0.777	35%	0.351	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-28.1	-176.1	0	0	0	0	0	113.2
129	E	92.9	Very high	94.9	Very high	167 Å²	167	59 Å²	59	78%	0.78	34%	0.336	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.2	-33.9	178.5	61.2	-169.7	-164.4	0	0	113.7	S127	S127-E129 PolarHBondContact O-N 3.21Å; S127-E129 VanDerWaalsContact O-N 3.13Å; S127-E129 WeakPolarHBondContact OG-CG 3.34Å
130	N	94.6	Very high	94.9	Very high	83 Å²	83	58.8 Å²	58.8	44%	0.444	33%	0.333	S	S	.	.	T	Hydrogen-bonded Turn	trans	-104	-8.1	-177	-62.2	-51.8	0	0	0	113.3	P124 S127 K132	P124-N130 WeakPolarHBondContact O-CB 3.35Å; S127-N130 PolarHBondContact O-N 2.79Å; S127-N130 VanDerWaalsContact O-N 3.14Å; S127-N130 WeakPolarHBondContact OG-CB 3.5Å; S127-N130 PolarHBondContact OG-N 2.85Å; S127-N130 PolarHBondContact OG-ND2 2.84Å; N130-K132 PolarHBondContact O-N 3.34Å
131	W	97.1	Very high	94.8	Very high	25 Å²	25	54.9 Å²	54.9	10%	0.095	32%	0.315	C	S	.	.			trans	-61.9	127.2	-178.6	177.5	-108.2	0	0	0	111.2	Y97 P98 P101 I126 S127 T135 V140	Y97-W131 HydrophobicContact CD2-CZ2 4.14Å; Y97-W131 AromaticContact CE2-CH2 3.8Å; Y97-W131 HydrophobicContact CE2-CH2 3.8Å; Y97-W131 AromaticContact CE2-CZ2 3.63Å; Y97-W131 HydrophobicContact CE2-CZ2 3.63Å; P98-W131 PolarHBondContact O-NE1 2.86Å; P101-W131 HydrophobicContact CB-CB 4.05Å; P101-W131 HydrophobicContact CB-CD2 3.52Å; P101-W131 HydrophobicContact CB-CE3 3.69Å; P101-W131 HydrophobicContact CB-CG 3.67Å; P101-W131 HydrophobicContact CB-CZ3 4.38Å; P101-W131 HydrophobicContact CG-CB 4.18Å; P101-W131 HydrophobicContact CG-CD2 4.45Å; P101-W131 HydrophobicContact CG-CG 4.1Å; I126-W131 HydrophobicContact CG2-CE3 4.31Å; I126-W131 HydrophobicContact CG2-CZ3 4.12Å; S127-W131 VanDerWaalsContact O-CB 3.3Å; S127-W131 WeakPolarHBondContact O-CB 3.18Å; S127-W131 PolarHBondContact O-N 2.75Å; W131-T135 HydrophobicContact CE3-CG2 4.5Å; W131-T135 HydrophobicContact CH2-CG2 4.25Å; W131-T135 HydrophobicContact CZ3-CG2 3.77Å; W131-V140 HydrophobicContact CZ3-CG2 4.11Å
132	K	96.3	Very high	94.8	Very high	142 Å²	142	59.2 Å²	59.2	62%	0.617	33%	0.334	S	S	*	.			trans	-115.5	129.9	173.6	-64.7	176.3	-175.3	176.3	0	107.9	N130 A134 T135	N130-K132 PolarHBondContact O-N 3.34Å; K132-A134 PolarHBondContact O-N 3.04Å; K132-T135 VanDerWaalsContact O-CB 3.22Å; K132-T135 WeakPolarHBondContact O-CB 3.37Å; K132-T135 PolarHBondContact O-N 3.4Å; K132-T135 PolarHBondContact O-OG1 3.15Å; K132-T135 VanDerWaalsContact O-OG1 3.13Å
133	P	95.8	Very high	95	Very high	54 Å²	54	56.9 Å²	56.9	35%	0.351	32%	0.319	S	S	.	.	T	Hydrogen-bonded Turn	trans	-58.5	-19.3	175.8	-27	35.4	0	0	0	114	R42 P98 F99 T135	R42-P133 PolarHBondContact NH1-O 3.43Å; R42-P133 PolarHBondContact NH2-O 2.8Å; P98-P133 HydrophobicContact CB-CB 4.18Å; P98-P133 HydrophobicContact CG-CB 4.21Å; P98-P133 VanDerWaalsContact O-CA 3.27Å; P98-P133 WeakPolarHBondContact O-CA 3.43Å; P98-P133 WeakPolarHBondContact O-CB 3.22Å; F99-P133 HydrophobicContact CD1-CG 4.25Å; P133-T135 VanDerWaalsContact C-N 3.31Å
134	A	96.1	Very high	95.2	Very high	85 Å²	85	56.6 Å²	56.6	70%	0.702	32%	0.317	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-17.5	173.9	0	0	0	0	0	113.8	K132 K136	K132-A134 PolarHBondContact O-N 3.04Å; A134-K136 PolarHBondContact O-N 2.86Å
135	T	96.4	Very high	95.2	Very high	16 Å²	16	53.7 Å²	53.7	10%	0.098	30%	0.298	C	S	.	.			trans	-64.5	128.4	178.3	-58.2	0	0	0	0	110	R42 V125 W131 K132 P133 Q139 V140	R42-T135 PolarHBondContact NH2-O 3.13Å; V125-T135 HydrophobicContact CG2-CG2 3.76Å; W131-T135 HydrophobicContact CE3-CG2 4.5Å; W131-T135 HydrophobicContact CH2-CG2 4.25Å; W131-T135 HydrophobicContact CZ3-CG2 3.77Å; K132-T135 VanDerWaalsContact O-CB 3.22Å; K132-T135 WeakPolarHBondContact O-CB 3.37Å; K132-T135 PolarHBondContact O-N 3.4Å; K132-T135 PolarHBondContact O-OG1 3.15Å; K132-T135 VanDerWaalsContact O-OG1 3.13Å; P133-T135 VanDerWaalsContact C-N 3.31Å; T135-Q139 HydrophobicContact CG2-CB 4.42Å; T135-V140 HydrophobicContact CG2-CG2 3.9Å
136	K	95.8	Very high	95.2	Very high	77 Å²	77	54.7 Å²	54.7	34%	0.335	31%	0.31	S	S	.	.			trans	-94	159.4	178.4	-70.4	-173.1	174.4	-164.5	0	111.8	E49 A134 D138 Q139 V140	E49-K136 IonicContact OE1-NZ 2.72Å; E49-K136 IonicContact OE2-NZ 3.96Å; E49-K136 PolarHBondContact OE2-NZ 3.18Å; A134-K136 PolarHBondContact O-N 2.86Å; K136-D138 VanDerWaalsContact C-N 3.33Å; K136-D138 WeakPolarHBondContact CB-OD1 3.32Å; K136-D138 PolarHBondContact O-N 3.09Å; K136-Q139 HydrophobicContact CB-CG 4.47Å; K136-Q139 WeakPolarHBondContact O-CB 3.23Å; K136-Q139 PolarHBondContact O-N 3.21Å; K136-V140 PolarHBondContact O-N 3.34Å
137	T	95.8	Very high	95.3	Very high	1 Å²	1	54.4 Å²	54.4	1%	0.006	31%	0.308	C	S	.	.	H	α-helix	trans	-65.5	-34.2	-177.8	-54.9	0	0	0	0	112.6	E46 I50 W71 I91 F93 Q139 V140 I141	E46-T137 VanDerWaalsContact OE2-CB 3.23Å; E46-T137 WeakPolarHBondContact OE2-CB 3.42Å; E46-T137 PolarHBondContact OE2-N 2.65Å; E46-T137 PolarHBondContact OE2-OG1 3.48Å; I50-T137 HydrophobicContact CD1-CG2 4.21Å; W71-T137 HydrophobicContact CE3-CG2 4.17Å; W71-T137 HydrophobicContact CH2-CG2 4.31Å; W71-T137 HydrophobicContact CZ3-CG2 3.69Å; I91-T137 HydrophobicContact CD1-CG2 4.36Å; F93-T137 HydrophobicContact CE1-CG2 4.22Å; F93-T137 HydrophobicContact CZ-CG2 3.79Å; T137-Q139 PolarHBondContact O-N 2.95Å; T137-V140 WeakPolarHBondContact O-CB 3.46Å; T137-V140 PolarHBondContact O-N 2.67Å; T137-I141 HydrophobicContact CG2-CD1 3.92Å; T137-I141 HydrophobicContact CG2-CG1 4.44Å; T137-I141 WeakPolarHBondContact O-CG1 3.39Å; T137-I141 PolarHBondContact O-N 3.32Å
138	D	94.7	Very high	95.3	Very high	44 Å²	44	53 Å²	53	24%	0.235	30%	0.299	C	S	.	.	H	α-helix	trans	-60.6	-42.6	174.8	63.9	-24.6	0	0	0	112.2	I50 M55 K136 V140 I141 Q142	I50-D138 HydrophobicContact CD1-CB 4.29Å; I50-D138 HydrophobicContact CG1-CB 3.97Å; M55-D138 HydrophobicContact SD-CB 4.28Å; K136-D138 VanDerWaalsContact C-N 3.33Å; K136-D138 WeakPolarHBondContact CB-OD1 3.32Å; K136-D138 PolarHBondContact O-N 3.09Å; D138-V140 VanDerWaalsContact C-N 3.32Å; D138-V140 PolarHBondContact O-N 3.04Å; D138-I141 PolarHBondContact O-N 2.72Å; D138-Q142 WeakPolarHBondContact O-CB 3.49Å; D138-Q142 VanDerWaalsContact O-CG 3.27Å; D138-Q142 WeakPolarHBondContact O-CG 3.36Å; D138-Q142 PolarHBondContact O-N 3.06Å
139	Q	95.6	Very high	95.3	Very high	93 Å²	93	50.6 Å²	50.6	44%	0.435	27%	0.273	S	S	.	.	H	α-helix	trans	-62.6	-40	175.2	-62.3	177.9	-47.4	0	0	111.5	T135 K136 T137 Q142 S143	T135-Q139 HydrophobicContact CG2-CB 4.42Å; K136-Q139 HydrophobicContact CB-CG 4.47Å; K136-Q139 WeakPolarHBondContact O-CB 3.23Å; K136-Q139 PolarHBondContact O-N 3.21Å; T137-Q139 PolarHBondContact O-N 2.95Å; Q139-Q142 PolarHBondContact O-N 2.79Å; Q139-S143 WeakPolarHBondContact O-CB 3.44Å; Q139-S143 PolarHBondContact O-N 3.02Å
140	V	96.7	Very high	95.2	Very high	1 Å²	1	47.9 Å²	47.9	1%	0.006	26%	0.264	C	S	.	.	H	α-helix	trans	-63.7	-45.9	175.6	173.6	0	0	0	0	110.8	I104 V125 I126 W131 T135 K136 T137 D138 S143 L144	I104-V140 HydrophobicContact CD1-CG1 3.54Å; V125-V140 HydrophobicContact CG1-CG2 4.31Å; V125-V140 HydrophobicContact CG2-CG2 4.46Å; I126-V140 HydrophobicContact CG2-CB 4.36Å; I126-V140 HydrophobicContact CG2-CG1 3.63Å; I126-V140 HydrophobicContact CG2-CG2 3.73Å; W131-V140 HydrophobicContact CZ3-CG2 4.11Å; T135-V140 HydrophobicContact CG2-CG2 3.9Å; K136-V140 PolarHBondContact O-N 3.34Å; T137-V140 WeakPolarHBondContact O-CB 3.46Å; T137-V140 PolarHBondContact O-N 2.67Å; D138-V140 VanDerWaalsContact C-N 3.32Å; D138-V140 PolarHBondContact O-N 3.04Å; V140-S143 PolarHBondContact O-N 3.4Å; V140-L144 PolarHBondContact O-N 3.33Å
141	I	95.7	Very high	95.1	Very high	0 Å²	0	44.4 Å²	44.4	0%	0	25%	0.245	C	C	.	.	H	α-helix	trans	-63.5	-43.1	177.6	-67.9	160.9	0	0	0	110.7	I50 M55 F58 I91 T137 D138 S143 L144 I145	I50-I141 HydrophobicContact CD1-CD1 4.26Å; M55-I141 HydrophobicContact CE-CB 4.21Å; M55-I141 HydrophobicContact CE-CG2 3.65Å; F58-I141 HydrophobicContact CB-CG2 3.87Å; F58-I141 HydrophobicContact CD1-CD1 3.72Å; F58-I141 HydrophobicContact CD1-CG2 4.3Å; F58-I141 HydrophobicContact CD2-CG2 4.23Å; F58-I141 HydrophobicContact CE1-CD1 3.62Å; F58-I141 HydrophobicContact CG-CD1 4.35Å; F58-I141 HydrophobicContact CG-CG2 3.89Å; F58-I141 HydrophobicContact CZ-CD1 4.2Å; I91-I141 HydrophobicContact CD1-CD1 4.15Å; I91-I141 HydrophobicContact CD1-CG1 4Å; T137-I141 HydrophobicContact CG2-CD1 3.92Å; T137-I141 HydrophobicContact CG2-CG1 4.44Å; T137-I141 WeakPolarHBondContact O-CG1 3.39Å; T137-I141 PolarHBondContact O-N 3.32Å; D138-I141 PolarHBondContact O-N 2.72Å; I141-S143 PolarHBondContact O-N 3.01Å; I141-L144 WeakPolarHBondContact O-CB 3.4Å; I141-L144 PolarHBondContact O-N 3.29Å; I141-I145 HydrophobicContact CG2-CD1 3.73Å; I141-I145 HydrophobicContact CG2-CG1 4.46Å; I141-I145 WeakPolarHBondContact O-CD1 3.27Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.42Å; I141-I145 PolarHBondContact O-N 3.44Å
142	Q	94.4	Very high	95	Very high	108 Å²	108	46.6 Å²	46.6	51%	0.505	26%	0.257	S	S	.	.	H	α-helix	trans	-61	-43.4	175.7	-74	172.1	4	0	0	112	M55 D138 Q139 L144 I145 A146	M55-Q142 HydrophobicContact CE-CG 4.13Å; D138-Q142 WeakPolarHBondContact O-CB 3.49Å; D138-Q142 VanDerWaalsContact O-CG 3.27Å; D138-Q142 WeakPolarHBondContact O-CG 3.36Å; D138-Q142 PolarHBondContact O-N 3.06Å; Q139-Q142 PolarHBondContact O-N 2.79Å; Q142-L144 VanDerWaalsContact C-N 3.3Å; Q142-L144 PolarHBondContact O-N 3.44Å; Q142-I145 PolarHBondContact O-N 2.92Å; Q142-A146 WeakPolarHBondContact O-CB 3.36Å; Q142-A146 PolarHBondContact O-N 2.83Å
143	S	96.1	Very high	94.9	Very high	41 Å²	41	41.8 Å²	41.8	29%	0.287	24%	0.24	S	C	.	.	H	α-helix	trans	-62.9	-38.5	176	-174.5	0	0	0	0	111.8	Q139 V140 I141 A146 L147	Q139-S143 WeakPolarHBondContact O-CB 3.44Å; Q139-S143 PolarHBondContact O-N 3.02Å; V140-S143 PolarHBondContact O-N 3.4Å; I141-S143 PolarHBondContact O-N 3.01Å; S143-A146 PolarHBondContact O-N 3.13Å; S143-L147 PolarHBondContact O-N 2.91Å
144	L	96.4	Very high	94.8	Very high	0 Å²	0	44.6 Å²	44.6	0%	0	25%	0.248	C	C	.	.	H	α-helix	trans	-64.7	-44.7	175.5	-179.4	55.9	0	0	0	112.3	I75 I89 I104 F106 V121 L123 V140 I141 Q142 A146 L147 V148	I75-L144 HydrophobicContact CD1-CD2 3.53Å; I75-L144 HydrophobicContact CD1-CG 3.79Å; I89-L144 HydrophobicContact CD1-CD2 3.95Å; I89-L144 HydrophobicContact CG2-CD2 4.42Å; I104-L144 HydrophobicContact CD1-CD2 3.99Å; I104-L144 HydrophobicContact CG2-CD2 3.81Å; F106-L144 HydrophobicContact CE2-CD1 3.76Å; F106-L144 HydrophobicContact CE2-CD2 4.23Å; F106-L144 HydrophobicContact CE2-CG 4.46Å; F106-L144 HydrophobicContact CZ-CD1 3.88Å; F106-L144 HydrophobicContact CZ-CD2 4.24Å; F106-L144 HydrophobicContact CZ-CG 4.29Å; V121-L144 HydrophobicContact CG1-CD1 4.29Å; V121-L144 HydrophobicContact CG2-CD1 4.1Å; L123-L144 HydrophobicContact CD1-CB 3.76Å; L123-L144 HydrophobicContact CD1-CD1 3.78Å; L123-L144 HydrophobicContact CD1-CG 4.22Å; L123-L144 HydrophobicContact CG-CD1 4.4Å; V140-L144 PolarHBondContact O-N 3.33Å; I141-L144 WeakPolarHBondContact O-CB 3.4Å; I141-L144 PolarHBondContact O-N 3.29Å; Q142-L144 VanDerWaalsContact C-N 3.3Å; Q142-L144 PolarHBondContact O-N 3.44Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.4Å; L144-L147 PolarHBondContact O-N 3.09Å; L144-V148 HydrophobicContact CD1-CG2 4.42Å; L144-V148 WeakPolarHBondContact O-CG2 3.14Å; L144-V148 PolarHBondContact O-N 2.87Å
145	I	94.4	Very high	94.6	Very high	13 Å²	13	47 Å²	47	7%	0.067	25%	0.245	C	C	.	.	H	α-helix	trans	-63.2	-40.9	177.5	-67.8	161.3	0	0	0	110.6	N57 I75 I141 Q142 L147 V148 N149	N57-I145 HydrophobicContact CB-CD1 3.77Å; N57-I145 HydrophobicContact CB-CG2 4.43Å; I75-I145 HydrophobicContact CG2-CG1 3.91Å; I141-I145 HydrophobicContact CG2-CD1 3.73Å; I141-I145 HydrophobicContact CG2-CG1 4.46Å; I141-I145 WeakPolarHBondContact O-CD1 3.27Å; I141-I145 VanDerWaalsContact O-CG1 3.3Å; I141-I145 WeakPolarHBondContact O-CG1 3.42Å; I141-I145 PolarHBondContact O-N 3.44Å; Q142-I145 PolarHBondContact O-N 2.92Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 2.85Å; I145-V148 PolarHBondContact O-N 3.2Å; I145-N149 WeakPolarHBondContact O-CB 3.35Å; I145-N149 PolarHBondContact O-N 2.8Å; I145-N149 PolarHBondContact O-ND2 2.87Å
146	A	94.4	Very high	94.6	Very high	57 Å²	57	48.3 Å²	48.3	47%	0.471	25%	0.254	S	S	.	.	H	α-helix	trans	-59	-45.7	174.5	0	0	0	0	0	111.3	Q142 S143 L144 V148 N149 D150	Q142-A146 WeakPolarHBondContact O-CB 3.36Å; Q142-A146 PolarHBondContact O-N 2.83Å; S143-A146 PolarHBondContact O-N 3.13Å; L144-A146 VanDerWaalsContact C-N 3.31Å; L144-A146 PolarHBondContact O-N 3.4Å; A146-V148 PolarHBondContact O-N 2.98Å; A146-N149 PolarHBondContact O-N 3.4Å; A146-D150 PolarHBondContact O-N 3.03Å
147	L	95.3	Very high	94.6	Very high	12 Å²	12	48 Å²	48	6%	0.063	26%	0.255	C	S	.	.	H	α-helix	trans	-62.6	-39.7	176.8	-178	64.5	0	0	0	112.7	H112 N114 V121 L123 S143 L144 I145 N149 D150 Q152	H112-L147 PolarHBondContact CE1-O 2.83Å; H112-L147 PolarHBondContact NE2-O 3.11Å; N114-L147 HydrophobicContact CB-CD1 4.05Å; N114-L147 HydrophobicContact CB-CD2 4.02Å; N114-L147 HydrophobicContact CB-CG 4.21Å; V121-L147 HydrophobicContact CG2-CD2 3.67Å; L123-L147 HydrophobicContact CD2-CB 4.2Å; L123-L147 HydrophobicContact CD2-CD2 3.72Å; L123-L147 HydrophobicContact CG-CD2 4.27Å; S143-L147 PolarHBondContact O-N 2.91Å; L144-L147 PolarHBondContact O-N 3.09Å; I145-L147 VanDerWaalsContact C-N 3.34Å; I145-L147 PolarHBondContact O-N 2.85Å; L147-N149 VanDerWaalsContact C-N 3.31Å; L147-D150 CarbonylContact O-C 3.6Å; L147-Q152 HydrophobicContact CD1-CB 4.36Å; L147-Q152 HydrophobicContact CD1-CG 4Å
148	V	95.1	Very high	94.7	Very high	1 Å²	1	49.7 Å²	49.7	1%	0.006	26%	0.262	C	S	.	.	H	α-helix	trans	-65.2	-36.8	176.5	170.5	0	0	0	0	111.4	P77 Y82 F106 I110 I115 L144 I145 A146	P77-V148 HydrophobicContact CB-CG1 4.36Å; P77-V148 HydrophobicContact CG-CG1 3.9Å; Y82-V148 HydrophobicContact CD2-CG1 3.96Å; Y82-V148 VanDerWaalsContact CD2-O 3.23Å; Y82-V148 WeakPolarHBondContact CD2-O 3.33Å; Y82-V148 WeakPolarHBondContact CE2-O 3.39Å; Y82-V148 HydrophobicContact CG-CG1 4.32Å; F106-V148 HydrophobicContact CE1-CG2 4.48Å; F106-V148 HydrophobicContact CZ-CG2 3.94Å; I110-V148 HydrophobicContact CD1-CG1 4.33Å; I115-V148 HydrophobicContact CD1-CG2 4.32Å; L144-V148 HydrophobicContact CD1-CG2 4.42Å; L144-V148 WeakPolarHBondContact O-CG2 3.14Å; L144-V148 PolarHBondContact O-N 2.87Å; I145-V148 PolarHBondContact O-N 3.2Å; A146-V148 PolarHBondContact O-N 2.98Å
149	N	91.1	Very high	94.8	Very high	43 Å²	43	50.8 Å²	50.8	23%	0.23	28%	0.277	C	S	.	.	H	α-helix	trans	-78.4	-32.3	179.8	-74.2	-28	0	0	0	112.9	I145 A146 L147	I145-N149 WeakPolarHBondContact O-CB 3.35Å; I145-N149 PolarHBondContact O-N 2.8Å; I145-N149 PolarHBondContact O-ND2 2.87Å; A146-N149 PolarHBondContact O-N 3.4Å; L147-N149 VanDerWaalsContact C-N 3.31Å
150	D	91.8	Very high	94.9	Very high	110 Å²	110	50.5 Å²	50.5	59%	0.588	28%	0.278	S	S	*	.	S	Bend	trans	-128.8	86.9	-179.7	-169.5	28.4	0	0	0	110.9	A146 L147	A146-D150 PolarHBondContact O-N 3.03Å; L147-D150 CarbonylContact O-C 3.6Å
151	P	93.3	Very high	94.9	Very high	9 Å²	9	50.5 Å²	50.5	6%	0.058	28%	0.278	C	S	.	.			trans	-61.6	140	179.1	-17.4	23.7	0	0	0	113.1	P113 P153 Y165	P113-P151 HydrophobicContact CG-CB 3.49Å; P113-P151 VanDerWaalsContact CG-CB 3.49Å; P113-P151 HydrophobicContact CG-CG 4.48Å; P151-P153 WeakPolarHBondContact O-CD 3.33Å; P151-Y165 HydrophobicContact CB-CE1 4.15Å; P151-Y165 HydrophobicContact CB-CE2 4.11Å; P151-Y165 WeakPolarHBondContact CD-OH 3.42Å; P151-Y165 HydrophobicContact CG-CE2 3.79Å; P151-Y165 PolarHBondContact O-OH 2.78Å
152	Q	94.3	Very high	95	Very high	72 Å²	72	50.8 Å²	50.8	34%	0.336	28%	0.28	S	S	.	.			trans	-104	91.4	-178	-68.4	-174.9	-36	0	0	111.4	N114 L147 E154 H155	N114-Q152 PolarHBondContact ND2-O 3.32Å; N114-Q152 PolarHBondContact OD1-N 3.3Å; L147-Q152 HydrophobicContact CD1-CB 4.36Å; L147-Q152 HydrophobicContact CD1-CG 4Å; Q152-E154 WeakPolarHBondContact CB-OE1 3.27Å; Q152-E154 PolarHBondContact O-N 2.86Å; Q152-H155 PolarHBondContact O-N 3.43Å
153	P	93.7	Very high	95.2	Very high	40 Å²	40	50.6 Å²	50.6	26%	0.26	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.2	-16.7	-174.8	28	-36.1	0	0	0	114.8	P151 H155 P156 A162 Y165	P151-P153 WeakPolarHBondContact O-CD 3.33Å; P153-H155 VanDerWaalsContact C-N 3.33Å; P153-P156 WeakPolarHBondContact O-CD 3.48Å; P153-A162 HydrophobicContact CB-CB 4.17Å; P153-Y165 HydrophobicContact CB-CD1 4.01Å; P153-Y165 HydrophobicContact CG-CD1 4Å; P153-Y165 HydrophobicContact CG-CE1 4.09Å
154	E	93.6	Very high	95.2	Very high	113 Å²	113	50 Å²	50	53%	0.528	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-73.8	-22.1	177.6	65.5	-81.7	-171.6	0	0	113.6	Q152 P156	Q152-E154 WeakPolarHBondContact CB-OE1 3.27Å; Q152-E154 PolarHBondContact O-N 2.86Å; E154-P156 VanDerWaalsContact C-CD 3.48Å
155	H	92.5	Very high	95.2	Very high	135 Å²	135	50.7 Å²	50.7	63%	0.625	28%	0.275	S	S	*	.	S	Bend	trans	-130.8	59.4	179.8	-58.8	-42.4	0	0	0	111.8	N114 Q152 P153	N114-H155 PolarHBondContact ND2-O 3.14Å; Q152-H155 PolarHBondContact O-N 3.43Å; P153-H155 VanDerWaalsContact C-N 3.33Å
156	P	95.8	Very high	95.3	Very high	45 Å²	45	53.7 Å²	53.7	29%	0.292	30%	0.297	S	S	.	.			trans	-85.6	148.1	-173	37	-34	0	0	0	111.9	P113 P153 E154 A162	P113-P156 HydrophobicContact CB-CB 4.37Å; P153-P156 WeakPolarHBondContact O-CD 3.48Å; E154-P156 VanDerWaalsContact C-CD 3.48Å; P156-A162 HydrophobicContact CB-CB 3.49Å; P156-A162 VanDerWaalsContact CB-CB 3.49Å; P156-A162 HydrophobicContact CG-CB 3.75Å
157	L	96.6	Very high	95.4	Very high	69 Å²	69	58.6 Å²	58.6	36%	0.361	31%	0.308	S	S	.	.	S	Bend	trans	-85	-22.5	161.4	-69.4	-176.9	0	0	0	111.5	P113 N114 D116 Q120	P113-L157 PolarHBondContact O-N 3Å; N114-L157 WeakPolarHBondContact O-CD1 3.28Å; D116-L157 HydrophobicContact CB-CB 4.3Å; D116-L157 HydrophobicContact CB-CD1 4.31Å; Q120-L157 VanDerWaalsContact O-CD1 3.28Å; Q120-L157 WeakPolarHBondContact O-CD1 3.3Å
158	R	97.5	Very high	95.5	Very high	37 Å²	37	61.5 Å²	61.5	14%	0.14	32%	0.323	C	S	.	.			trans	-124.2	92.7	179.2	-71.3	-169.1	60.1	-179	-3.6	110.5	P113 I115 D160 L161 A162	P113-R158 PolarHBondContact O-N 2.88Å; I115-R158 WeakPolarHBondContact O-CD 3.26Å; R158-D160 VanDerWaalsContact C-N 3.29Å; R158-D160 WeakPolarHBondContact CB-OD1 3.38Å; R158-D160 IonicContact CZ-OD2 3.83Å; R158-D160 IonicContact NE-OD1 3.51Å; R158-D160 IonicContact NE-OD2 2.68Å; R158-D160 IonicContact NH2-OD2 3.67Å; R158-D160 PolarHBondContact NH2-OD2 2.75Å; R158-D160 PolarHBondContact O-N 2.69Å; R158-L161 HydrophobicContact CB-CB 4.13Å; R158-L161 HydrophobicContact CB-CD1 4.35Å; R158-L161 HydrophobicContact CB-CG 4.03Å; R158-L161 VanDerWaalsContact CZ-CG 3.5Å; R158-L161 PolarHBondContact O-N 3.39Å; R158-A162 PolarHBondContact O-N 3.16Å
159	A	97.2	Very high	95.5	Very high	67 Å²	67	66.5 Å²	66.5	55%	0.554	34%	0.342	S	S	*	.	H	α-helix	trans	-63.2	-34.6	-175.8	0	0	0	0	0	112.8	L161 A162 E163	A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 2.93Å; A159-A162 PolarHBondContact O-N 3.27Å; A159-E163 WeakPolarHBondContact O-CB 3.21Å; A159-E163 PolarHBondContact O-N 3.43Å
160	D	96.8	Very high	95.8	Very high	87 Å²	87	73 Å²	73	47%	0.465	37%	0.368	S	S	.	.	H	α-helix	trans	-55.9	-46.6	173.4	60.3	-45.5	0	0	0	111.7	R158 E164	R158-D160 VanDerWaalsContact C-N 3.29Å; R158-D160 WeakPolarHBondContact CB-OD1 3.38Å; R158-D160 IonicContact CZ-OD2 3.83Å; R158-D160 IonicContact NE-OD1 3.51Å; R158-D160 IonicContact NE-OD2 2.68Å; R158-D160 IonicContact NH2-OD2 3.67Å; R158-D160 PolarHBondContact NH2-OD2 2.75Å; R158-D160 PolarHBondContact O-N 2.69Å; D160-E164 PolarHBondContact O-N 3.36Å
161	L	97.6	Very high	96.1	Very high	2 Å²	2	72.6 Å²	72.6	1%	0.01	36%	0.361	C	S	.	.	H	α-helix	trans	-73.1	-36.3	179.8	-63.8	-159.4	0	0	0	112.6	Y111 P113 R158 A159 E163 E164 Y165 F172	Y111-L161 HydrophobicContact CD1-CD1 3.97Å; Y111-L161 HydrophobicContact CD1-CD2 4.36Å; Y111-L161 HydrophobicContact CD2-CD1 4.19Å; Y111-L161 HydrophobicContact CD2-CD2 4.33Å; Y111-L161 HydrophobicContact CE1-CD1 4.05Å; Y111-L161 HydrophobicContact CE1-CD2 3.61Å; Y111-L161 HydrophobicContact CE1-CG 4.39Å; Y111-L161 HydrophobicContact CE2-CD1 4.25Å; Y111-L161 HydrophobicContact CE2-CD2 3.56Å; Y111-L161 HydrophobicContact CG-CD1 4.07Å; Y111-L161 WeakPolarHBondContact OH-CD2 3.28Å; P113-L161 HydrophobicContact CB-CB 4.09Å; R158-L161 HydrophobicContact CB-CB 4.13Å; R158-L161 HydrophobicContact CB-CD1 4.35Å; R158-L161 HydrophobicContact CB-CG 4.03Å; R158-L161 VanDerWaalsContact CZ-CG 3.5Å; R158-L161 PolarHBondContact O-N 3.39Å; A159-L161 VanDerWaalsContact C-N 3.33Å; A159-L161 PolarHBondContact O-N 2.93Å; L161-E163 VanDerWaalsContact C-N 3.34Å; L161-E164 PolarHBondContact O-N 3.39Å; L161-Y165 WeakPolarHBondContact O-CB 3.34Å; L161-Y165 PolarHBondContact O-N 2.91Å; L161-F172 HydrophobicContact CB-CE2 4.32Å
162	A	97.3	Very high	96.3	Very high	5 Å²	5	72.1 Å²	72.1	4%	0.041	36%	0.359	C	S	.	.	H	α-helix	trans	-66.6	-39.1	177.2	0	0	0	0	0	111.7	P113 P153 P156 R158 A159 Y165 S166	P113-A162 HydrophobicContact CB-CB 3.99Å; P153-A162 HydrophobicContact CB-CB 4.17Å; P156-A162 HydrophobicContact CB-CB 3.49Å; P156-A162 VanDerWaalsContact CB-CB 3.49Å; P156-A162 HydrophobicContact CG-CB 3.75Å; R158-A162 PolarHBondContact O-N 3.16Å; A159-A162 PolarHBondContact O-N 3.27Å; A162-Y165 PolarHBondContact O-N 3Å; A162-S166 WeakPolarHBondContact O-CB 3.48Å; A162-S166 PolarHBondContact O-N 2.82Å; A162-S166 PolarHBondContact O-OG 2.9Å
163	E	97.6	Very high	96.4	Very high	105 Å²	105	71.9 Å²	71.9	49%	0.491	36%	0.359	S	S	.	.	H	α-helix	trans	-64.5	-46.5	173.3	-175.9	175.3	-177.3	0	0	111.1	A159 L161 Y165 S166 K167	A159-E163 WeakPolarHBondContact O-CB 3.21Å; A159-E163 PolarHBondContact O-N 3.43Å; L161-E163 VanDerWaalsContact C-N 3.34Å; E163-Y165 PolarHBondContact O-N 2.77Å; E163-S166 PolarHBondContact O-N 2.87Å; E163-K167 HydrophobicContact CG-CD 3.78Å; E163-K167 HydrophobicContact CG-CG 4.31Å; E163-K167 WeakPolarHBondContact O-CB 3.45Å; E163-K167 WeakPolarHBondContact O-CG 3.34Å; E163-K167 PolarHBondContact O-N 2.8Å; E163-K167 WeakPolarHBondContact OE1-CE 3.38Å; E163-K167 IonicContact OE1-NZ 3.91Å; E163-K167 PolarHBondContact OE1-NZ 3.33Å
164	E	97.6	Very high	96.6	Very high	29 Å²	29	76 Å²	76	14%	0.136	37%	0.373	C	S	.	.	H	α-helix	trans	-60.7	-45.3	175.3	-170.7	172.3	100.6	0	0	111.5	Y111 D160 L161 S166 K167 D168 K171 F172 N175	Y111-E164 PolarHBondContact OH-OE1 2.84Å; D160-E164 PolarHBondContact O-N 3.36Å; L161-E164 PolarHBondContact O-N 3.39Å; E164-S166 PolarHBondContact O-N 2.85Å; E164-K167 PolarHBondContact O-N 2.89Å; E164-D168 CarbonylContact O-C 3.55Å; E164-D168 WeakPolarHBondContact O-CA 3.49Å; E164-D168 PolarHBondContact O-N 2.79Å; E164-D168 VanDerWaalsContact O-O 3.12Å; E164-K171 HydrophobicContact CG-CD 4.35Å; E164-K171 WeakPolarHBondContact OE2-CD 3.39Å; E164-K171 VanDerWaalsContact OE2-CE 3.27Å; E164-K171 WeakPolarHBondContact OE2-CE 3.06Å; E164-K171 IonicContact OE2-NZ 2.63Å; E164-K171 PolarHBondContact OE2-NZ 3.2Å; E164-F172 HydrophobicContact CG-CB 4.17Å; E164-F172 WeakPolarHBondContact OE1-CA 3.31Å; E164-N175 PolarHBondContact OE1-ND2 2.86Å
165	Y	96.7	Very high	96.8	Very high	13 Å²	13	72.7 Å²	72.7	5%	0.051	36%	0.359	C	S	.	.	H	α-helix	trans	-58.7	-35.5	176.3	-177.8	-106.6	0	0	0	112.9	P151 P153 L161 A162 E163 R169 F172	P151-Y165 HydrophobicContact CB-CE1 4.15Å; P151-Y165 HydrophobicContact CB-CE2 4.11Å; P151-Y165 WeakPolarHBondContact CD-OH 3.42Å; P151-Y165 HydrophobicContact CG-CE2 3.79Å; P151-Y165 PolarHBondContact O-OH 2.78Å; P153-Y165 HydrophobicContact CB-CD1 4.01Å; P153-Y165 HydrophobicContact CG-CD1 4Å; P153-Y165 HydrophobicContact CG-CE1 4.09Å; L161-Y165 WeakPolarHBondContact O-CB 3.34Å; L161-Y165 PolarHBondContact O-N 2.91Å; A162-Y165 PolarHBondContact O-N 3Å; E163-Y165 PolarHBondContact O-N 2.77Å; Y165-R169 VanDerWaalsContact CD1-NH2 3.26Å; Y165-R169 VanDerWaalsContact CD2-CZ 3.5Å; Y165-R169 VanDerWaalsContact CD2-NE 3.33Å; Y165-R169 PolarHBondContact O-NE 3.07Å; Y165-R169 PolarHBondContact O-NH2 2.77Å; Y165-R169 PolarHBondContact OH-NH1 3.13Å; Y165-F172 AromaticContact CD2-CD1 3.51Å; Y165-F172 HydrophobicContact CD2-CD1 3.51Å; Y165-F172 HydrophobicContact CD2-CD2 4.25Å; Y165-F172 AromaticContact CD2-CE1 3.56Å; Y165-F172 HydrophobicContact CD2-CE1 3.56Å; Y165-F172 HydrophobicContact CD2-CE2 4.3Å; Y165-F172 AromaticContact CD2-CG 3.87Å; Y165-F172 HydrophobicContact CD2-CG 3.87Å; Y165-F172 AromaticContact CD2-CZ 3.97Å; Y165-F172 HydrophobicContact CD2-CZ 3.97Å; Y165-F172 HydrophobicContact CE2-CD1 4.2Å; Y165-F172 HydrophobicContact CE2-CE1 4.01Å
166	S	95.8	Very high	97.1	Very high	76 Å²	76	66.3 Å²	66.3	53%	0.531	33%	0.329	S	S	.	.	H	α-helix	trans	-83.4	-40	-178.1	-56.8	0	0	0	0	112.7	A162 E163 E164	A162-S166 WeakPolarHBondContact O-CB 3.48Å; A162-S166 PolarHBondContact O-N 2.82Å; A162-S166 PolarHBondContact O-OG 2.9Å; E163-S166 PolarHBondContact O-N 2.87Å; E164-S166 PolarHBondContact O-N 2.85Å
167	K	96.8	Very high	97.2	Very high	160 Å²	160	67 Å²	67	70%	0.696	33%	0.329	S	S	*	.	H	α-helix	trans	-89.6	-38.3	-175.1	-67.3	-174.8	178.3	178.6	0	113.5	E163 E164	E163-K167 HydrophobicContact CG-CD 3.78Å; E163-K167 HydrophobicContact CG-CG 4.31Å; E163-K167 WeakPolarHBondContact O-CB 3.45Å; E163-K167 WeakPolarHBondContact O-CG 3.34Å; E163-K167 PolarHBondContact O-N 2.8Å; E163-K167 WeakPolarHBondContact OE1-CE 3.38Å; E163-K167 IonicContact OE1-NZ 3.91Å; E163-K167 PolarHBondContact OE1-NZ 3.33Å; E164-K167 PolarHBondContact O-N 2.89Å
168	D	96.5	Very high	97.2	Very high	73 Å²	73	68.7 Å²	68.7	39%	0.39	34%	0.335	S	S	.	.			trans	-139.7	76.5	-178.1	-169.8	-13.3	0	0	0	111	E164 K170 K171 F172	E164-D168 CarbonylContact O-C 3.55Å; E164-D168 WeakPolarHBondContact O-CA 3.49Å; E164-D168 PolarHBondContact O-N 2.79Å; E164-D168 VanDerWaalsContact O-O 3.12Å; D168-K170 PolarHBondContact O-N 2.68Å; D168-K170 PolarHBondContact OD1-N 3.4Å; D168-K171 HydrophobicContact CB-CB 4.04Å; D168-K171 PolarHBondContact O-N 3Å; D168-K171 WeakPolarHBondContact OD1-CB 3.35Å; D168-K171 PolarHBondContact OD1-N 3.36Å; D168-K171 VanDerWaalsContact OD2-CB 3.29Å; D168-K171 WeakPolarHBondContact OD2-CB 3.39Å; D168-F172 PolarHBondContact O-N 3.27Å
169	R	95.4	Very high	97.3	Very high	107 Å²	107	69.4 Å²	69.4	40%	0.404	34%	0.339	S	S	.	.	H	α-helix	trans	-55.9	-36.2	179.7	-174.1	60.7	61.7	107	2.7	112.7	Y165 F172 L173	Y165-R169 VanDerWaalsContact CD1-NH2 3.26Å; Y165-R169 VanDerWaalsContact CD2-CZ 3.5Å; Y165-R169 VanDerWaalsContact CD2-NE 3.33Å; Y165-R169 PolarHBondContact O-NE 3.07Å; Y165-R169 PolarHBondContact O-NH2 2.77Å; Y165-R169 PolarHBondContact OH-NH1 3.13Å; R169-F172 PolarHBondContact O-N 2.98Å; R169-L173 HydrophobicContact CG-CD1 3.97Å; R169-L173 HydrophobicContact CG-CG 4.23Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 WeakPolarHBondContact O-CG 3.33Å; R169-L173 PolarHBondContact O-N 3.05Å
170	K	97.3	Very high	97.3	Very high	178 Å²	178	66.3 Å²	66.3	77%	0.774	31%	0.313	S	S	*	.	H	α-helix	trans	-67	-45.1	-177.8	-70.9	-176.7	-179.8	178.5	0	110.8	D168 L173 K174	D168-K170 PolarHBondContact O-N 2.68Å; D168-K170 PolarHBondContact OD1-N 3.4Å; K170-L173 PolarHBondContact O-N 3.49Å; K170-K174 PolarHBondContact O-N 2.96Å; K170-K174 VanDerWaalsContact O-N 3.08Å
171	K	97.6	Very high	97.3	Very high	102 Å²	102	68.2 Å²	68.2	44%	0.443	32%	0.317	S	S	.	.	H	α-helix	trans	-61.8	-46	175.1	-175.5	-175.3	-179.5	-137.6	0	111.4	E164 D168 L173 K174 N175	E164-K171 HydrophobicContact CG-CD 4.35Å; E164-K171 WeakPolarHBondContact OE2-CD 3.39Å; E164-K171 VanDerWaalsContact OE2-CE 3.27Å; E164-K171 WeakPolarHBondContact OE2-CE 3.06Å; E164-K171 IonicContact OE2-NZ 2.63Å; E164-K171 PolarHBondContact OE2-NZ 3.2Å; D168-K171 HydrophobicContact CB-CB 4.04Å; D168-K171 PolarHBondContact O-N 3Å; D168-K171 WeakPolarHBondContact OD1-CB 3.35Å; D168-K171 PolarHBondContact OD1-N 3.36Å; D168-K171 VanDerWaalsContact OD2-CB 3.29Å; D168-K171 WeakPolarHBondContact OD2-CB 3.39Å; K171-L173 PolarHBondContact O-N 3.18Å; K171-K174 PolarHBondContact O-N 3.15Å; K171-N175 WeakPolarHBondContact O-CB 3.26Å; K171-N175 VanDerWaalsContact O-CG 3.26Å; K171-N175 PolarHBondContact O-N 3.07Å; K171-N175 PolarHBondContact O-ND2 2.95Å
172	F	97.9	Very high	97.3	Very high	0 Å²	0	76 Å²	76	0%	0	35%	0.351	C	S	.	.	H	α-helix	trans	-55.8	-51.8	176.1	176.4	-87.2	0	0	0	111.8	P81 Y111 L161 E164 Y165 D168 R169 K174 N175 A176	P81-F172 HydrophobicContact CG-CE1 4.43Å; Y111-F172 HydrophobicContact CD1-CD2 4.29Å; Y111-F172 AromaticContact CD1-CE2 3.86Å; Y111-F172 HydrophobicContact CD1-CE2 3.86Å; Y111-F172 HydrophobicContact CD1-CZ 4.3Å; Y111-F172 AromaticContact CE1-CD2 3.74Å; Y111-F172 HydrophobicContact CE1-CD2 3.74Å; Y111-F172 AromaticContact CE1-CE2 3.73Å; Y111-F172 HydrophobicContact CE1-CE2 3.73Å; L161-F172 HydrophobicContact CB-CE2 4.32Å; E164-F172 HydrophobicContact CG-CB 4.17Å; E164-F172 WeakPolarHBondContact OE1-CA 3.31Å; Y165-F172 AromaticContact CD2-CD1 3.51Å; Y165-F172 HydrophobicContact CD2-CD1 3.51Å; Y165-F172 HydrophobicContact CD2-CD2 4.25Å; Y165-F172 AromaticContact CD2-CE1 3.56Å; Y165-F172 HydrophobicContact CD2-CE1 3.56Å; Y165-F172 HydrophobicContact CD2-CE2 4.3Å; Y165-F172 AromaticContact CD2-CG 3.87Å; Y165-F172 HydrophobicContact CD2-CG 3.87Å; Y165-F172 AromaticContact CD2-CZ 3.97Å; Y165-F172 HydrophobicContact CD2-CZ 3.97Å; Y165-F172 HydrophobicContact CE2-CD1 4.2Å; Y165-F172 HydrophobicContact CE2-CE1 4.01Å; D168-F172 PolarHBondContact O-N 3.27Å; R169-F172 PolarHBondContact O-N 2.98Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 2.71Å; F172-N175 PolarHBondContact O-N 2.81Å; F172-A176 HydrophobicContact CD1-CB 4.46Å; F172-A176 HydrophobicContact CE1-CB 4.13Å; F172-A176 HydrophobicContact CZ-CB 4.44Å; F172-A176 VanDerWaalsContact O-CB 3.25Å; F172-A176 WeakPolarHBondContact O-CB 3.43Å; F172-A176 PolarHBondContact O-N 3.28Å
173	L	96.9	Very high	97.3	Very high	66 Å²	66	79 Å²	79	35%	0.346	36%	0.364	S	S	.	.	H	α-helix	trans	-60.9	-42	-177.4	-70.8	174.2	0	0	0	111.4	P81 R169 K170 K171 A176 E177	P81-L173 HydrophobicContact CB-CD2 4.03Å; P81-L173 WeakPolarHBondContact CB-O 3.27Å; P81-L173 HydrophobicContact CG-CD2 3.8Å; R169-L173 HydrophobicContact CG-CD1 3.97Å; R169-L173 HydrophobicContact CG-CG 4.23Å; R169-L173 WeakPolarHBondContact O-CB 3.48Å; R169-L173 WeakPolarHBondContact O-CG 3.33Å; R169-L173 PolarHBondContact O-N 3.05Å; K170-L173 PolarHBondContact O-N 3.49Å; K171-L173 PolarHBondContact O-N 3.18Å; L173-A176 PolarHBondContact O-N 2.7Å; L173-E177 WeakPolarHBondContact O-CB 3.41Å; L173-E177 PolarHBondContact O-N 3.33Å
174	K	98	Very high	97.2	Very high	126 Å²	126	75 Å²	75	55%	0.548	35%	0.351	S	S	.	.	H	α-helix	trans	-61.5	-50.1	175.6	-178.6	-177.3	172.5	-176	0	111.7	K170 K171 F172 A176 E177 E178	K170-K174 PolarHBondContact O-N 2.96Å; K170-K174 VanDerWaalsContact O-N 3.08Å; K171-K174 PolarHBondContact O-N 3.15Å; F172-K174 VanDerWaalsContact C-N 3.31Å; F172-K174 PolarHBondContact O-N 2.71Å; K174-A176 VanDerWaalsContact C-N 3.34Å; K174-A176 PolarHBondContact O-N 3.26Å; K174-E177 PolarHBondContact O-N 3.01Å; K174-E178 WeakPolarHBondContact CE-OE1 3.27Å; K174-E178 IonicContact NZ-OE1 3.43Å; K174-E178 WeakPolarHBondContact O-CG 3.42Å; K174-E178 PolarHBondContact O-N 3.4Å
175	N	98	Very high	97.1	Very high	45 Å²	45	76.3 Å²	76.3	24%	0.241	36%	0.357	C	S	.	.	H	α-helix	trans	-61.2	-44.3	179.6	-71.1	-16.4	0	0	0	111.3	Y111 E164 K171 F172 E177 E178 F179	Y111-N175 HydrophobicContact CE1-CB 3.99Å; E164-N175 PolarHBondContact OE1-ND2 2.86Å; K171-N175 WeakPolarHBondContact O-CB 3.26Å; K171-N175 VanDerWaalsContact O-CG 3.26Å; K171-N175 PolarHBondContact O-N 3.07Å; K171-N175 PolarHBondContact O-ND2 2.95Å; F172-N175 PolarHBondContact O-N 2.81Å; N175-E177 PolarHBondContact O-N 3.08Å; N175-E178 PolarHBondContact O-N 3.27Å; N175-F179 WeakPolarHBondContact O-CB 3.25Å; N175-F179 PolarHBondContact O-N 3.26Å
176	A	98	Very high	97	Very high	0 Å²	0	85.1 Å²	85.1	0%	0	40%	0.396	C	S	.	.	H	α-helix	trans	-64	-39.6	178.7	0	0	0	0	0	112.2	P81 Y82 Y111 F172 L173 K174 T180	P81-A176 HydrophobicContact CB-CB 3.65Å; P81-A176 HydrophobicContact CG-CB 3.42Å; P81-A176 VanDerWaalsContact CG-CB 3.42Å; Y82-A176 HydrophobicContact CE1-CB 4.12Å; Y111-A176 HydrophobicContact CD1-CB 3.84Å; F172-A176 HydrophobicContact CD1-CB 4.46Å; F172-A176 HydrophobicContact CE1-CB 4.13Å; F172-A176 HydrophobicContact CZ-CB 4.44Å; F172-A176 VanDerWaalsContact O-CB 3.25Å; F172-A176 WeakPolarHBondContact O-CB 3.43Å; F172-A176 PolarHBondContact O-N 3.28Å; L173-A176 PolarHBondContact O-N 2.7Å; K174-A176 VanDerWaalsContact C-N 3.34Å; K174-A176 PolarHBondContact O-N 3.26Å; A176-T180 VanDerWaalsContact O-CB 3.28Å; A176-T180 WeakPolarHBondContact O-CB 3.21Å; A176-T180 PolarHBondContact O-N 3.39Å; A176-T180 PolarHBondContact O-OG1 3.5Å
177	E	97.6	Very high	96.8	Very high	61 Å²	61	85.2 Å²	85.2	29%	0.285	38%	0.384	S	S	.	.	H	α-helix	trans	-66.7	-47.9	176.2	-174.2	-175.6	145	0	0	111.3	P81 K84 L173 K174 N175 F179 T180 K181	P81-E177 HydrophobicContact CB-CB 4.27Å; K84-E177 HydrophobicContact CG-CG 4.18Å; L173-E177 WeakPolarHBondContact O-CB 3.41Å; L173-E177 PolarHBondContact O-N 3.33Å; K174-E177 PolarHBondContact O-N 3.01Å; N175-E177 PolarHBondContact O-N 3.08Å; E177-F179 VanDerWaalsContact C-N 3.32Å; E177-F179 PolarHBondContact O-N 3.01Å; E177-T180 PolarHBondContact O-N 2.98Å; E177-K181 WeakPolarHBondContact O-CG 3.3Å; E177-K181 PolarHBondContact O-N 3.05Å; E177-K181 WeakPolarHBondContact OE1-CE 3.31Å; E177-K181 IonicContact OE1-NZ 3.67Å; E177-K181 PolarHBondContact OE1-NZ 3.17Å
178	E	98	Very high	96.4	Very high	104 Å²	104	79.3 Å²	79.3	49%	0.486	36%	0.363	S	S	.	.	H	α-helix	trans	-60.8	-42.2	176.9	-73.3	179.1	-171.6	0	0	111.5	K174 N175 K181 K182	K174-E178 WeakPolarHBondContact CE-OE1 3.27Å; K174-E178 IonicContact NZ-OE1 3.43Å; K174-E178 WeakPolarHBondContact O-CG 3.42Å; K174-E178 PolarHBondContact O-N 3.4Å; N175-E178 PolarHBondContact O-N 3.27Å; E178-K181 PolarHBondContact O-N 3.5Å; E178-K182 WeakPolarHBondContact O-CB 3.39Å; E178-K182 PolarHBondContact O-N 3.11Å
179	F	98.1	Very high	95.3	Very high	52 Å²	52	84 Å²	84	23%	0.228	39%	0.387	C	S	.	.	H	α-helix	trans	-64.2	-42.1	176.2	-163.3	-83.6	0	0	0	111.6	K109 Y111 N175 E177 K182 H183	K109-F179 HydrophobicContact CB-CE1 3.77Å; K109-F179 HydrophobicContact CB-CZ 3.99Å; Y111-F179 HydrophobicContact CD2-CD2 4.15Å; Y111-F179 HydrophobicContact CD2-CG 4.31Å; Y111-F179 HydrophobicContact CG-CB 4.41Å; Y111-F179 HydrophobicContact CG-CG 4.45Å; N175-F179 WeakPolarHBondContact O-CB 3.25Å; N175-F179 PolarHBondContact O-N 3.26Å; E177-F179 VanDerWaalsContact C-N 3.32Å; E177-F179 PolarHBondContact O-N 3.01Å; F179-K182 PolarHBondContact O-N 3.37Å; F179-H183 HydrophobicContact CD1-CB 4.22Å; F179-H183 AromaticContact CD1-CD2 3.78Å; F179-H183 AromaticContact CD2-CD2 3.72Å; F179-H183 HydrophobicContact CE1-CB 3.95Å; F179-H183 AromaticContact CE1-CD2 3.57Å; F179-H183 AromaticContact CE1-CG 3.98Å; F179-H183 AromaticContact CE2-CD2 3.51Å; F179-H183 AromaticContact CE2-NE2 3.86Å; F179-H183 AromaticContact CG-CD2 3.86Å; F179-H183 AromaticContact CZ-CD2 3.43Å; F179-H183 VanDerWaalsContact CZ-CD2 3.43Å; F179-H183 WeakPolarHBondContact CZ-CD2 3.48Å; F179-H183 WeakPolarHBondContact O-CB 3.47Å; F179-H183 PolarHBondContact O-N 3.13Å
180	T	97.8	Very high	93.8	Very high	1 Å²	1	88.7 Å²	88.7	1%	0.006	42%	0.42	C	S	.	.	H	α-helix	trans	-61.9	-44.2	176.3	-62.8	0	0	0	0	111.2	K84 F87 A176 E177 K182 G184	K84-T180 HydrophobicContact CB-CG2 4.41Å; F87-T180 HydrophobicContact CE2-CG2 4.35Å; F87-T180 HydrophobicContact CZ-CG2 3.78Å; A176-T180 VanDerWaalsContact O-CB 3.28Å; A176-T180 WeakPolarHBondContact O-CB 3.21Å; A176-T180 PolarHBondContact O-N 3.39Å; A176-T180 PolarHBondContact O-OG1 3.5Å; E177-T180 PolarHBondContact O-N 2.98Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 3.46Å; T180-G184 WeakPolarHBondContact O-CA 3.4Å; T180-G184 PolarHBondContact O-N 3.08Å
181	K	96.6	Very high	93.6	Very high	127 Å²	127	84.2 Å²	84.2	55%	0.552	40%	0.402	S	S	*	.	H	α-helix	trans	-62.8	-34.3	176	-72	174.5	-175.4	168.8	0	112.8	K84 E177 E178	K84-K181 HydrophobicContact CB-CG 4.12Å; E177-K181 WeakPolarHBondContact O-CG 3.3Å; E177-K181 PolarHBondContact O-N 3.05Å; E177-K181 WeakPolarHBondContact OE1-CE 3.31Å; E177-K181 IonicContact OE1-NZ 3.67Å; E177-K181 PolarHBondContact OE1-NZ 3.17Å; E178-K181 PolarHBondContact O-N 3.5Å
182	K	97.6	Very high	93.4	Very high	167 Å²	167	83.3 Å²	83.3	73%	0.726	40%	0.4	S	S	*	.	H	α-helix	trans	-81.6	-38	-176.8	-174.5	176.4	177.7	-178.7	0	113.5	E178 F179 T180	E178-K182 WeakPolarHBondContact O-CB 3.39Å; E178-K182 PolarHBondContact O-N 3.11Å; F179-K182 PolarHBondContact O-N 3.37Å; T180-K182 VanDerWaalsContact C-N 3.27Å; T180-K182 PolarHBondContact O-N 3.46Å
183	H	97.1	Very high	93.1	Very high	66 Å²	66	87.9 Å²	87.9	31%	0.306	42%	0.422	S	S	.	.	H	α-helix	trans	-118.9	-19.4	-169.1	-64.7	-64	0	0	0	114.4	T108 K109 F179	T108-H183 WeakPolarHBondContact CG2-O 3.1Å; K109-H183 HydrophobicContact CB-CB 4.29Å; F179-H183 HydrophobicContact CD1-CB 4.22Å; F179-H183 AromaticContact CD1-CD2 3.78Å; F179-H183 AromaticContact CD2-CD2 3.72Å; F179-H183 HydrophobicContact CE1-CB 3.95Å; F179-H183 AromaticContact CE1-CD2 3.57Å; F179-H183 AromaticContact CE1-CG 3.98Å; F179-H183 AromaticContact CE2-CD2 3.51Å; F179-H183 AromaticContact CE2-NE2 3.86Å; F179-H183 AromaticContact CG-CD2 3.86Å; F179-H183 AromaticContact CZ-CD2 3.43Å; F179-H183 VanDerWaalsContact CZ-CD2 3.43Å; F179-H183 WeakPolarHBondContact CZ-CD2 3.48Å; F179-H183 WeakPolarHBondContact O-CB 3.47Å; F179-H183 PolarHBondContact O-N 3.13Å
184	G	96.2	Very high	92.9	Very high	21 Å²	21	89.2 Å²	89.2	22%	0.216	43%	0.426	C	S	.	.	S	Bend	trans	-63.5	150.6	176.7	0	0	0	0	0	111.8	T180	T180-G184 WeakPolarHBondContact O-CA 3.4Å; T180-G184 PolarHBondContact O-N 3.08Å
185	E	96.1	Very high	92.6	Very high	58 Å²	58	86.9 Å²	86.9	27%	0.271	42%	0.419	S	S	.	.	B	Isolated β-bridge	trans	-73.9	157.5	170.4	-68.9	-164.7	-150.6	0	0	110.9	L74 A86 R88 T108 R187	L74-E185 HydrophobicContact CD2-CB 4.03Å; L74-E185 HydrophobicContact CD2-CG 4.31Å; L74-E185 WeakPolarHBondContact CD2-OE2 3.3Å; A86-E185 HydrophobicContact CB-CB 4.48Å; A86-E185 PolarHBondContact N-O 2.88Å; A86-E185 PolarHBondContact O-N 3.33Å; R88-E185 WeakPolarHBondContact CB-OE1 3.27Å; R88-E185 IonicContact CZ-OE1 3.44Å; R88-E185 IonicContact CZ-OE2 3.67Å; R88-E185 IonicContact NE-OE1 3.32Å; R88-E185 PolarHBondContact NE-OE1 2.85Å; R88-E185 IonicContact NE-OE2 2.8Å; R88-E185 PolarHBondContact NE-OE2 3.3Å; R88-E185 IonicContact NH2-OE1 3.87Å; R88-E185 IonicContact NH2-OE2 2.76Å; R88-E185 PolarHBondContact NH2-OE2 2.8Å; T108-E185 HydrophobicContact CG2-CG 4.34Å; T108-E185 PolarHBondContact OG1-OE1 3.32Å; E185-R187 PolarHBondContact O-N 3.31Å
186	K	93.7	Very high	92.2	Very high	197 Å²	197	89.7 Å²	89.7	86%	0.857	43%	0.431	S	S	*	.	P	Polyproline II helix	trans	-61.9	131.4	173	-68.2	-175	179.5	-178.8	0	109.1
187	R	92.6	Very high	91.8	Very high	78 Å²	78	96.1 Å²	96.1	29%	0.294	46%	0.461	S	S	.	.	P	Polyproline II helix	trans	-62.1	136	172.1	-63.8	177.3	72.6	94.1	-13.9	108.8	V76 P77 D83 G85 A86 E185 L189	V76-R187 VanDerWaalsContact CG1-NH2 3.28Å; P77-R187 PolarHBondContact O-NH1 2.82Å; P77-R187 PolarHBondContact O-NH2 3.36Å; D83-R187 VanDerWaalsContact O-CD 3.29Å; D83-R187 WeakPolarHBondContact O-CD 3.4Å; D83-R187 PolarHBondContact O-NE 3.29Å; D83-R187 PolarHBondContact O-NH1 2.95Å; G85-R187 WeakPolarHBondContact O-CG 3.38Å; G85-R187 PolarHBondContact O-NH1 3.46Å; A86-R187 HydrophobicContact CB-CG 4.42Å; E185-R187 PolarHBondContact O-N 3.31Å; R187-L189 PolarHBondContact O-N 3.43Å
188	P	87.2	Confident	91.4	Very high	37 Å²	37	98.8 Å²	98.8	24%	0.24	48%	0.475	C	S	.	.	P	Polyproline II helix	trans	-55.9	133.3	170.2	-20.4	31.6	0	0	0	109.4	R59 L74 V76	R59-P188 HydrophobicContact CB-CG 4.04Å; R59-P188 HydrophobicContact CG-CG 4.46Å; L74-P188 HydrophobicContact CD1-CG 4.41Å; V76-P188 HydrophobicContact CG2-CG 4.41Å
189	L	74.4	Confident	90.8	Very high	171 Å²	171	98.3 Å²	98.3	90%	0.895	47%	0.474	S	S	*	.	P	Polyproline II helix	trans	-76.3	125.8	165.4	-60.3	173.3	0	0	0	105.8	R187	R187-L189 PolarHBondContact O-N 3.43Å
190	D	62.4	Low	90.2	Very high	205 Å²	205	102.5 Å²	102.5	100%	1.096	50%	0.496	S	S	*	.			trans	-59.7	0	174.5	-72.7	-36.8	0	0	0	111.8	R59	R59-D190 IonicContact NH2-OD1 3.52Å

Retrieved 190 of 190 residues in 37.7 ms (Link to these results)

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