A0A077ZPA4_TRITR Loading...

FLYWCH domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZPA4, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 166 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	44.6	Very low	51.7	Low	237 Å²	237	147.9 Å²	147.9	100%	1.167	84%	0.843	S	S	*	*				0	115.1	0	-67.5	178.7	176.4	0	0	106.7	V3	M1-V3 PolarHBondContact O-N 3.46Å
2	H	46.8	Very low	52.3	Low	188 Å²	188	144.8 Å²	144.8	87%	0.87	82%	0.822	S	S	*	*			trans	-72.7	119.8	-173.4	-76.4	96.1	0	0	0	110.6
3	V	52.1	Low	52	Low	133 Å²	133	146.8 Å²	146.8	81%	0.806	82%	0.82	S	S	*	*			trans	-96.5	113.5	164.8	-76.9	0	0	0	0	108.1	M1	M1-V3 PolarHBondContact O-N 3.46Å
4	N	50.3	Low	51.8	Low	160 Å²	160	151.6 Å²	151.6	86%	0.856	82%	0.819	S	S	*	*			trans	-80.6	108.8	171.2	-73.9	-47	0	0	0	108.3
5	E	50.8	Low	51.5	Low	186 Å²	186	147.8 Å²	147.8	87%	0.869	79%	0.794	S	S	*	*			trans	-95.9	113.9	165.7	-75.8	-175.2	155.7	0	0	109.6
6	A	58.4	Low	51.6	Low	98 Å²	98	145.9 Å²	145.9	81%	0.81	78%	0.776	S	S	*	*	P	Polyproline II helix	trans	-72.4	131.5	175	0	0	0	0	0	110.9
7	C	48.9	Very low	51.5	Low	122 Å²	122	140.8 Å²	140.8	82%	0.824	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-67.7	129.2	175	-173.1	0	0	0	0	111.4
8	P	55.8	Low	51	Low	114 Å²	114	139.8 Å²	139.8	74%	0.74	75%	0.749	S	S	*	*	P	Polyproline II helix	trans	-75.5	131.3	180	23.6	-21.8	0	0	0	111.6	S10	P8-S10 PolarHBondContact O-N 3.23Å
9	K	55.7	Low	50.9	Low	208 Å²	208	138.2 Å²	138.2	90%	0.904	73%	0.734	S	S	*	*			trans	-59.5	115.8	-177.6	-64	-174	178.3	-178.6	0	112.2	G11	K9-G11 VanDerWaalsContact C-N 3.32Å; K9-G11 PolarHBondContact O-N 3Å
10	S	51.4	Low	50.9	Low	132 Å²	132	136.9 Å²	136.9	92%	0.923	73%	0.727	S	S	*	*			trans	-75	70.3	173	49.6	0	0	0	0	112.2	P8	P8-S10 PolarHBondContact O-N 3.23Å
11	G	53.7	Low	50.5	Low	49 Å²	49	134.7 Å²	134.7	51%	0.505	71%	0.712	S	S	.	*			trans	-111.5	-15.1	-173.5	0	0	0	0	0	117.8	K9	K9-G11 VanDerWaalsContact C-N 3.32Å; K9-G11 PolarHBondContact O-N 3Å
12	N	59.3	Low	50.8	Low	110 Å²	110	127.1 Å²	127.1	59%	0.588	68%	0.675	S	S	*	*	H	α-helix	trans	-103.2	-10.2	-153	-145.1	-19.1	0	0	0	116.4	K16	N12-K16 WeakPolarHBondContact O-CD 3.41Å; N12-K16 VanDerWaalsContact O-CG 3.29Å; N12-K16 WeakPolarHBondContact O-CG 3.37Å; N12-K16 WeakPolarHBondContact OD1-CE 3.29Å
13	H	48.3	Very low	50.8	Low	171 Å²	171	122.2 Å²	122.2	79%	0.792	66%	0.655	S	S	*	*	H	α-helix	trans	-92.9	-37.4	-174	-142.6	-82.8	0	0	0	113.6	A17	H13-A17 PolarHBondContact O-N 3.19Å
14	R	48.7	Very low	50.2	Low	215 Å²	215	118.5 Å²	118.5	81%	0.811	64%	0.635	S	S	*	*	H	α-helix	trans	-73.2	-35.5	-177.9	-155.8	174.5	-176.9	176.9	0.1	112.1	A17 Q18	R14-A17 PolarHBondContact O-N 3.44Å; R14-Q18 PolarHBondContact O-N 2.91Å; R14-Q18 VanDerWaalsContact O-N 3.11Å
15	E	47.5	Very low	49.9	Very low	94 Å²	94	113.8 Å²	113.8	44%	0.439	61%	0.609	S	S	.	*	H	α-helix	trans	-71.6	-36.6	177	-160.1	-175.4	151.8	0	0	112.1	Q18 K19	E15-Q18 PolarHBondContact O-N 3.45Å; E15-K19 HydrophobicContact CG-CD 4.33Å; E15-K19 WeakPolarHBondContact O-CB 3.32Å; E15-K19 WeakPolarHBondContact O-CG 3.31Å; E15-K19 PolarHBondContact O-N 2.79Å; E15-K19 VanDerWaalsContact OE1-CE 3.32Å; E15-K19 WeakPolarHBondContact OE1-CE 2.9Å; E15-K19 IonicContact OE1-NZ 2.65Å; E15-K19 PolarHBondContact OE1-NZ 2.7Å
16	K	53.3	Low	49.5	Very low	118 Å²	118	112.2 Å²	112.2	51%	0.513	60%	0.596	S	S	.	*	H	α-helix	trans	-64.3	-40.4	172.1	-76.9	-179.1	-177.9	-177.5	0	112	N12 K19 N20	N12-K16 WeakPolarHBondContact O-CD 3.41Å; N12-K16 VanDerWaalsContact O-CG 3.29Å; N12-K16 WeakPolarHBondContact O-CG 3.37Å; N12-K16 WeakPolarHBondContact OD1-CE 3.29Å; K16-K19 PolarHBondContact O-N 3.3Å; K16-N20 VanDerWaalsContact O-CB 3.31Å; K16-N20 WeakPolarHBondContact O-CB 3.41Å; K16-N20 PolarHBondContact O-N 2.65Å; K16-N20 PolarHBondContact O-ND2 3.4Å; K16-N20 PolarHBondContact O-OD1 3.11Å
17	A	49.2	Very low	48.4	Very low	58 Å²	58	114.1 Å²	114.1	48%	0.479	59%	0.588	S	S	.	*	H	α-helix	trans	-64.1	-41.9	175.3	0	0	0	0	0	112.3	H13 R14 N20 F21	H13-A17 PolarHBondContact O-N 3.19Å; R14-A17 PolarHBondContact O-N 3.44Å; A17-N20 PolarHBondContact O-N 3.2Å; A17-F21 WeakPolarHBondContact O-CB 3.43Å; A17-F21 PolarHBondContact O-N 3.45Å
18	Q	42.8	Very low	47.8	Very low	123 Å²	123	115.7 Å²	115.7	58%	0.575	58%	0.577	S	S	*	*	H	α-helix	trans	-65	-44.8	174.8	-84.8	-179.7	-23.4	0	0	112.5	R14 E15 N20 F21 I22	R14-Q18 PolarHBondContact O-N 2.91Å; R14-Q18 VanDerWaalsContact O-N 3.11Å; E15-Q18 PolarHBondContact O-N 3.45Å; Q18-N20 VanDerWaalsContact C-N 3.34Å; Q18-N20 PolarHBondContact O-N 2.94Å; Q18-F21 PolarHBondContact O-N 3.47Å; Q18-I22 WeakPolarHBondContact O-CB 3.15Å; Q18-I22 VanDerWaalsContact O-CG1 3.29Å; Q18-I22 WeakPolarHBondContact O-CG1 3.42Å; Q18-I22 PolarHBondContact O-N 3.14Å
19	K	49.2	Very low	47.1	Very low	109 Å²	109	116.6 Å²	116.6	47%	0.474	57%	0.574	S	S	.	*	H	α-helix	trans	-63.4	-39.9	177.2	-75.3	171	171.5	170.2	0	111.8	E15 K16 N23	E15-K19 HydrophobicContact CG-CD 4.33Å; E15-K19 WeakPolarHBondContact O-CB 3.32Å; E15-K19 WeakPolarHBondContact O-CG 3.31Å; E15-K19 PolarHBondContact O-N 2.79Å; E15-K19 VanDerWaalsContact OE1-CE 3.32Å; E15-K19 WeakPolarHBondContact OE1-CE 2.9Å; E15-K19 IonicContact OE1-NZ 2.65Å; E15-K19 PolarHBondContact OE1-NZ 2.7Å; K16-K19 PolarHBondContact O-N 3.3Å; K19-N23 WeakPolarHBondContact O-CB 3.35Å; K19-N23 PolarHBondContact O-N 3.47Å; K19-N23 PolarHBondContact O-ND2 2.91Å
20	N	50.8	Low	46.2	Very low	112 Å²	112	114 Å²	114	60%	0.599	57%	0.57	S	S	*	*	H	α-helix	trans	-67.4	-36.8	175.9	-71.6	-7.5	0	0	0	112.4	K16 A17 Q18 S24	K16-N20 VanDerWaalsContact O-CB 3.31Å; K16-N20 WeakPolarHBondContact O-CB 3.41Å; K16-N20 PolarHBondContact O-N 2.65Å; K16-N20 PolarHBondContact O-ND2 3.4Å; K16-N20 PolarHBondContact O-OD1 3.11Å; A17-N20 PolarHBondContact O-N 3.2Å; Q18-N20 VanDerWaalsContact C-N 3.34Å; Q18-N20 PolarHBondContact O-N 2.94Å; N20-S24 WeakPolarHBondContact O-CB 3.3Å; N20-S24 PolarHBondContact O-N 3.36Å
21	F	42.4	Very low	45.6	Very low	92 Å²	92	111.6 Å²	111.6	40%	0.404	55%	0.549	S	S	.	.	H	α-helix	trans	-70.7	-43.8	176.3	-176	-98.8	0	0	0	112.3	A17 Q18 N23 S24 I25 N135	A17-F21 WeakPolarHBondContact O-CB 3.43Å; A17-F21 PolarHBondContact O-N 3.45Å; Q18-F21 PolarHBondContact O-N 3.47Å; F21-N23 VanDerWaalsContact C-N 3.34Å; F21-N23 PolarHBondContact O-N 3.25Å; F21-S24 WeakPolarHBondContact O-CB 3.3Å; F21-S24 PolarHBondContact O-N 3.41Å; F21-I25 HydrophobicContact CD1-CD1 3.95Å; F21-I25 HydrophobicContact CE1-CD1 3.28Å; F21-I25 HydrophobicContact CE1-CG1 4.24Å; F21-I25 HydrophobicContact CZ-CD1 3.65Å; F21-I25 HydrophobicContact CZ-CG1 4.38Å; F21-I25 PolarHBondContact O-N 2.84Å; F21-N135 HydrophobicContact CE1-CB 3.66Å; F21-N135 VanDerWaalsContact CE1-CG 3.43Å; F21-N135 WeakPolarHBondContact CE1-ND2 3.36Å; F21-N135 HydrophobicContact CZ-CB 4.33Å; F21-N135 WeakPolarHBondContact CZ-ND2 3.47Å
22	I	51	Low	44.9	Very low	77 Å²	77	113 Å²	113	40%	0.395	55%	0.551	S	S	.	*	H	α-helix	trans	-64.5	-40.1	174.9	-67.9	167.8	0	0	0	110.7	Q18 S24 I25 R26	Q18-I22 WeakPolarHBondContact O-CB 3.15Å; Q18-I22 VanDerWaalsContact O-CG1 3.29Å; Q18-I22 WeakPolarHBondContact O-CG1 3.42Å; Q18-I22 PolarHBondContact O-N 3.14Å; I22-S24 VanDerWaalsContact C-N 3.33Å; I22-I25 PolarHBondContact O-N 3.34Å; I22-R26 HydrophobicContact CG2-CG 4.44Å; I22-R26 WeakPolarHBondContact O-CB 3.05Å; I22-R26 WeakPolarHBondContact O-CG 3.44Å; I22-R26 PolarHBondContact O-N 3.45Å
23	N	46.7	Very low	44.3	Very low	85 Å²	85	110 Å²	110	46%	0.455	53%	0.534	S	S	.	.	H	α-helix	trans	-69.1	-32.2	175	-74.3	-15.4	0	0	0	112	K19 F21 R26 Q27	K19-N23 WeakPolarHBondContact O-CB 3.35Å; K19-N23 PolarHBondContact O-N 3.47Å; K19-N23 PolarHBondContact O-ND2 2.91Å; F21-N23 VanDerWaalsContact C-N 3.34Å; F21-N23 PolarHBondContact O-N 3.25Å; N23-R26 PolarHBondContact O-N 2.88Å; N23-Q27 WeakPolarHBondContact O-CB 3.25Å; N23-Q27 PolarHBondContact O-N 3.29Å
24	S	40.3	Very low	44.2	Very low	55 Å²	55	103.9 Å²	103.9	39%	0.385	51%	0.509	S	S	.	.	H	α-helix	trans	-60.7	-51	169.8	-174.6	0	0	0	0	110.1	N20 F21 I22 R26 Q27 W28	N20-S24 WeakPolarHBondContact O-CB 3.3Å; N20-S24 PolarHBondContact O-N 3.36Å; F21-S24 WeakPolarHBondContact O-CB 3.3Å; F21-S24 PolarHBondContact O-N 3.41Å; I22-S24 VanDerWaalsContact C-N 3.33Å; S24-R26 VanDerWaalsContact C-N 3.35Å; S24-R26 PolarHBondContact O-N 2.79Å; S24-Q27 PolarHBondContact O-N 3.39Å; S24-Q27 VanDerWaalsContact O-N 3.16Å; S24-W28 PolarHBondContact O-N 3.28Å
25	I	43.5	Very low	44.1	Very low	61 Å²	61	96.3 Å²	96.3	31%	0.313	49%	0.489	S	S	.	.	H	α-helix	trans	-61.6	-38.7	176.7	-66	177.5	0	0	0	112.3	F21 I22 W28 I29	F21-I25 HydrophobicContact CD1-CD1 3.95Å; F21-I25 HydrophobicContact CE1-CD1 3.28Å; F21-I25 HydrophobicContact CE1-CG1 4.24Å; F21-I25 HydrophobicContact CZ-CD1 3.65Å; F21-I25 HydrophobicContact CZ-CG1 4.38Å; F21-I25 PolarHBondContact O-N 2.84Å; I22-I25 PolarHBondContact O-N 3.34Å; I25-W28 WeakPolarHBondContact O-CB 3.37Å; I25-W28 PolarHBondContact O-N 3.23Å; I25-W28 VanDerWaalsContact O-N 3.15Å; I25-I29 HydrophobicContact CG2-CD1 4.45Å; I25-I29 PolarHBondContact O-N 3.09Å
26	R	42	Very low	44.2	Very low	154 Å²	154	92.3 Å²	92.3	58%	0.581	47%	0.472	S	S	*	.	H	α-helix	trans	-68.6	-32.8	176.2	-74.8	175.9	173.2	161.3	-2.7	112.8	I22 N23 S24 W28 I29 D30	I22-R26 HydrophobicContact CG2-CG 4.44Å; I22-R26 WeakPolarHBondContact O-CB 3.05Å; I22-R26 WeakPolarHBondContact O-CG 3.44Å; I22-R26 PolarHBondContact O-N 3.45Å; N23-R26 PolarHBondContact O-N 2.88Å; S24-R26 VanDerWaalsContact C-N 3.35Å; S24-R26 PolarHBondContact O-N 2.79Å; R26-W28 PolarHBondContact O-N 3.48Å; R26-I29 PolarHBondContact O-N 2.98Å; R26-D30 PolarHBondContact O-N 3.48Å; R26-D30 VanDerWaalsContact O-N 3.13Å
27	Q	35.7	Very low	44.3	Very low	138 Å²	138	89.9 Å²	89.9	65%	0.645	47%	0.466	S	S	*	.	H	α-helix	trans	-68.9	-20.4	173.2	-154.4	157.3	14.5	0	0	111.9	N23 S24 V31	N23-Q27 WeakPolarHBondContact O-CB 3.25Å; N23-Q27 PolarHBondContact O-N 3.29Å; S24-Q27 PolarHBondContact O-N 3.39Å; S24-Q27 VanDerWaalsContact O-N 3.16Å; Q27-V31 HydrophobicContact CG-CG2 4.28Å; Q27-V31 WeakPolarHBondContact O-CB 3.29Å; Q27-V31 VanDerWaalsContact O-CG2 3.27Å; Q27-V31 WeakPolarHBondContact O-CG2 3.45Å; Q27-V31 PolarHBondContact O-N 2.87Å
28	W	37.2	Very low	44.7	Very low	155 Å²	155	88.6 Å²	88.6	59%	0.587	45%	0.454	S	S	*	.	H	α-helix	trans	-82.4	-14	167.9	-67.3	100.7	0	0	0	114.2	S24 I25 R26	S24-W28 PolarHBondContact O-N 3.28Å; I25-W28 WeakPolarHBondContact O-CB 3.37Å; I25-W28 PolarHBondContact O-N 3.23Å; I25-W28 VanDerWaalsContact O-N 3.15Å; R26-W28 PolarHBondContact O-N 3.48Å
29	I	40.8	Very low	45	Very low	133 Å²	133	92.5 Å²	92.5	68%	0.682	47%	0.472	S	S	*	.	H	α-helix	trans	-88.5	-29.4	174.9	-65.4	169.3	0	0	0	110.6	I25 R26	I25-I29 HydrophobicContact CG2-CD1 4.45Å; I25-I29 PolarHBondContact O-N 3.09Å; R26-I29 PolarHBondContact O-N 2.98Å
30	D	36.9	Very low	45.4	Very low	153 Å²	153	97.7 Å²	97.7	82%	0.818	49%	0.489	S	S	*	.	H	α-helix	trans	-99.8	-7.7	174.6	-90.2	-30.8	0	0	0	114.9	R26	R26-D30 PolarHBondContact O-N 3.48Å; R26-D30 VanDerWaalsContact O-N 3.13Å
31	V	39.3	Very low	45.9	Very low	81 Å²	81	99 Å²	99	49%	0.491	50%	0.496	S	S	.	.	S	Bend	trans	-118.3	115.3	170	-176.9	0	0	0	0	108.9	Q27	Q27-V31 HydrophobicContact CG-CG2 4.28Å; Q27-V31 WeakPolarHBondContact O-CB 3.29Å; Q27-V31 VanDerWaalsContact O-CG2 3.27Å; Q27-V31 WeakPolarHBondContact O-CG2 3.45Å; Q27-V31 PolarHBondContact O-N 2.87Å
32	S	37.7	Very low	47.5	Very low	78 Å²	78	100 Å²	100	55%	0.545	50%	0.5	S	S	.	.			trans	69.6	86.2	161.9	-68.8	0	0	0	0	117.2	T34	S32-T34 VanDerWaalsContact C-N 3.29Å; S32-T34 PolarHBondContact O-N 2.87Å; S32-T34 PolarHBondContact O-OG1 2.95Å
33	M	47.4	Very low	49.2	Very low	47 Å²	47	98.1 Å²	98.1	23%	0.232	49%	0.489	C	S	.	.				38	59.3	97.5	-59.7	-156.5	61.7	0	0	116.6	S35 F45 T82 N87	M33-S35 PolarHBondContact O-N 3.18Å; M33-F45 HydrophobicContact CB-CE2 3.94Å; M33-F45 HydrophobicContact CE-CD2 3.61Å; M33-F45 HydrophobicContact CE-CE2 2.89Å; M33-F45 HydrophobicContact CE-CZ 3.41Å; M33-F45 VanDerWaalsContact CE-CZ 3.41Å; M33-F45 HydrophobicContact CG-CE2 3.64Å; M33-F45 HydrophobicContact CG-CZ 4.02Å; M33-F45 HydrophobicContact SD-CE2 3.91Å; M33-F45 HydrophobicContact SD-CZ 4.13Å; M33-T82 HydrophobicContact CE-CG2 4.43Å; M33-N87 HydrophobicContact CB-CB 4.35Å; M33-N87 HydrophobicContact CE-CB 3.11Å; M33-N87 WeakPolarHBondContact CE-O 3.36Å; M33-N87 VanDerWaalsContact CE-OD1 3.31Å; M33-N87 WeakPolarHBondContact CE-OD1 3.3Å; M33-N87 HydrophobicContact CG-CB 4.38Å; M33-N87 WeakPolarHBondContact SD-CA 3.32Å; M33-N87 HydrophobicContact SD-CB 3.08Å; M33-N87 WeakPolarHBondContact SD-CB 3.22Å
34	T	45.7	Very low	51.2	Low	44 Å²	44	95 Å²	95	27%	0.27	47%	0.472	S	S	.	.			trans	-79.7	96.7	176.1	-60.2	0	0	0	0	108.2	S32 S36 F46 A112	S32-T34 VanDerWaalsContact C-N 3.29Å; S32-T34 PolarHBondContact O-N 2.87Å; S32-T34 PolarHBondContact O-OG1 2.95Å; T34-S36 VanDerWaalsContact C-N 3.27Å; T34-S36 PolarHBondContact O-N 3.19Å; T34-F46 WeakPolarHBondContact O-CE2 3.35Å; T34-A112 HydrophobicContact CG2-CB 3.89Å
35	S	47.7	Very low	53.6	Low	56 Å²	56	92.7 Å²	92.7	39%	0.392	46%	0.455	S	S	.	.			trans	-61.3	85.7	165.6	50	0	0	0	0	110	M33 E43 K44	M33-S35 PolarHBondContact O-N 3.18Å; S35-E43 VanDerWaalsContact CB-CG 3.41Å; S35-E43 WeakPolarHBondContact CB-OE1 3.31Å; S35-K44 VanDerWaalsContact CA-O 3.27Å; S35-K44 WeakPolarHBondContact CA-O 3.46Å
36	S	49.7	Very low	55.9	Low	10 Å²	10	91.4 Å²	91.4	7%	0.07	45%	0.447	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.3	133.5	178.5	74.9	0	0	0	0	110.7	T34 S38 E43 K44	T34-S36 VanDerWaalsContact C-N 3.27Å; T34-S36 PolarHBondContact O-N 3.19Å; S36-S38 PolarHBondContact O-N 3.02Å; S36-E43 CarbonylContact O-C 3.55Å; S36-E43 WeakPolarHBondContact O-CA 3.18Å; S36-K44 PolarHBondContact N-O 3.47Å; S36-K44 WeakPolarHBondContact O-CB 3.19Å; S36-K44 WeakPolarHBondContact O-CG 3.47Å; S36-K44 PolarHBondContact O-N 3.03Å; S36-K44 WeakPolarHBondContact OG-CB 3.48Å
37	V	53.9	Low	58.2	Low	67 Å²	67	86.2 Å²	86.2	41%	0.406	43%	0.429	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	114.6	179	-178	0	0	0	0	108.8	N41 K115	V37-N41 HydrophobicContact CG1-CB 4.18Å; V37-N41 WeakPolarHBondContact CG1-OD1 3.37Å; V37-K115 PolarHBondContact O-NZ 2.88Å
38	S	57.3	Low	60.8	Low	30 Å²	30	84.8 Å²	84.8	21%	0.21	43%	0.426	C	S	.	.			trans	-65.4	171.1	179.8	63.8	0	0	0	0	113	S36 R40 N41 K42 K44	S36-S38 PolarHBondContact O-N 3.02Å; S38-R40 PolarHBondContact O-N 3.16Å; S38-N41 PolarHBondContact O-N 2.83Å; S38-K42 VanDerWaalsContact CB-O 3.31Å; S38-K42 WeakPolarHBondContact CB-O 3.48Å; S38-K42 PolarHBondContact N-O 2.57Å; S38-K42 WeakPolarHBondContact OG-CA 3.34Å; S38-K42 WeakPolarHBondContact OG-CB 3.46Å; S38-K42 PolarHBondContact OG-N 3.19Å; S38-K42 PolarHBondContact OG-O 3.25Å; S38-K44 VanDerWaalsContact CB-CE 3.46Å
39	Q	50.6	Low	63.4	Low	206 Å²	206	78.3 Å²	78.3	96%	0.963	41%	0.408	S	S	*	.	T	Hydrogen-bonded Turn	trans	-53.2	-20.2	176.3	-65.7	-173.8	12.6	0	0	114
40	R	56.3	Low	65.9	Low	218 Å²	218	74.2 Å²	74.2	82%	0.823	38%	0.384	S	S	*	.	T	Hydrogen-bonded Turn	trans	-108.8	27.2	176.4	-64	-172.8	178.6	179.2	0.5	113.5	S38 K42	S38-R40 PolarHBondContact O-N 3.16Å; R40-K42 PolarHBondContact O-N 3.42Å; R40-K42 VanDerWaalsContact O-N 3.1Å
41	N	62.4	Low	68.5	Low	139 Å²	139	68.4 Å²	68.4	74%	0.743	35%	0.352	S	S	*	.	S	Bend	trans	61.9	15.3	179.4	-127.7	33.4	0	0	0	116	V37 S38	V37-N41 HydrophobicContact CG1-CB 4.18Å; V37-N41 WeakPolarHBondContact CG1-OD1 3.37Å; S38-N41 PolarHBondContact O-N 2.83Å
42	K	75	Confident	71.1	Confident	112 Å²	112	64.5 Å²	64.5	49%	0.487	33%	0.329	S	S	.	.			trans	-90.8	129.9	177.3	-61.3	-165.7	176.5	-166.5	0	111.4	S38 R40 T53	S38-K42 VanDerWaalsContact CB-O 3.31Å; S38-K42 WeakPolarHBondContact CB-O 3.48Å; S38-K42 PolarHBondContact N-O 2.57Å; S38-K42 WeakPolarHBondContact OG-CA 3.34Å; S38-K42 WeakPolarHBondContact OG-CB 3.46Å; S38-K42 PolarHBondContact OG-N 3.19Å; S38-K42 PolarHBondContact OG-O 3.25Å; R40-K42 PolarHBondContact O-N 3.42Å; R40-K42 VanDerWaalsContact O-N 3.1Å; K42-T53 HydrophobicContact CB-CG2 3.68Å; K42-T53 HydrophobicContact CD-CG2 4.03Å
43	E	87.4	Confident	73.7	Confident	39 Å²	39	61.2 Å²	61.2	18%	0.182	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.4	139.9	174.9	-159.4	-178.3	173.2	0	0	111.6	S35 S36 T53 F54 K64 W66	S35-E43 VanDerWaalsContact CB-CG 3.41Å; S35-E43 WeakPolarHBondContact CB-OE1 3.31Å; S36-E43 CarbonylContact O-C 3.55Å; S36-E43 WeakPolarHBondContact O-CA 3.18Å; E43-T53 WeakPolarHBondContact O-CA 3.32Å; E43-F54 HydrophobicContact CB-CB 3.81Å; E43-F54 PolarHBondContact O-N 3.28Å; E43-K64 IonicContact OE1-NZ 2.79Å; E43-K64 PolarHBondContact OE1-NZ 3.34Å; E43-K64 IonicContact OE2-NZ 3.97Å; E43-K64 PolarHBondContact OE2-NZ 2.97Å; E43-W66 HydrophobicContact CB-CH2 4.44Å; E43-W66 HydrophobicContact CB-CZ3 4.16Å; E43-W66 VanDerWaalsContact CD-CH2 3.49Å; E43-W66 HydrophobicContact CG-CH2 3.83Å; E43-W66 HydrophobicContact CG-CZ3 3.96Å; E43-W66 WeakPolarHBondContact OE1-CH2 3.43Å
44	K	88.8	Confident	76	Confident	19 Å²	19	61.2 Å²	61.2	8%	0.083	30%	0.304	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	148.3	177.5	-62.4	-70.8	-177.7	163	0	110.5	S35 S36 S38 F46 M51 Y52 T53 D69	S35-K44 VanDerWaalsContact CA-O 3.27Å; S35-K44 WeakPolarHBondContact CA-O 3.46Å; S36-K44 PolarHBondContact N-O 3.47Å; S36-K44 WeakPolarHBondContact O-CB 3.19Å; S36-K44 WeakPolarHBondContact O-CG 3.47Å; S36-K44 PolarHBondContact O-N 3.03Å; S36-K44 WeakPolarHBondContact OG-CB 3.48Å; S38-K44 VanDerWaalsContact CB-CE 3.46Å; K44-F46 HydrophobicContact CB-CZ 4.44Å; K44-M51 HydrophobicContact CB-CG 4.41Å; K44-M51 HydrophobicContact CB-SD 4.36Å; K44-M51 HydrophobicContact CD-CG 4.12Å; K44-M51 HydrophobicContact CD-SD 3.86Å; K44-M51 HydrophobicContact CG-SD 4.19Å; K44-Y52 CarbonylContact C-O 3.44Å; K44-Y52 WeakPolarHBondContact CA-O 3.47Å; K44-Y52 WeakPolarHBondContact CD-O 3.37Å; K44-T53 HydrophobicContact CD-CG2 4.37Å; K44-T53 WeakPolarHBondContact CD-OG1 3.47Å; K44-T53 WeakPolarHBondContact CE-OG1 3.5Å; K44-T53 PolarHBondContact NZ-OG1 3.41Å; K44-D69 IonicContact NZ-OD1 3.46Å; K44-D69 PolarHBondContact NZ-OD1 3.4Å; K44-D69 IonicContact NZ-OD2 2.84Å; K44-D69 PolarHBondContact NZ-OD2 3.19Å
45	F	90.2	Very high	78.3	Confident	7 Å²	7	61.1 Å²	61.1	3%	0.031	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	139.9	176.2	-168.1	-105	0	0	0	110.8	M33 H47 M51 Y52 W66 L80 T82 V89	M33-F45 HydrophobicContact CB-CE2 3.94Å; M33-F45 HydrophobicContact CE-CD2 3.61Å; M33-F45 HydrophobicContact CE-CE2 2.89Å; M33-F45 HydrophobicContact CE-CZ 3.41Å; M33-F45 VanDerWaalsContact CE-CZ 3.41Å; M33-F45 HydrophobicContact CG-CE2 3.64Å; M33-F45 HydrophobicContact CG-CZ 4.02Å; M33-F45 HydrophobicContact SD-CE2 3.91Å; M33-F45 HydrophobicContact SD-CZ 4.13Å; F45-H47 HydrophobicContact CD1-CB 4.18Å; F45-H47 HydrophobicContact CE1-CB 3.82Å; F45-M51 CarbonylContact O-C 3.52Å; F45-M51 WeakPolarHBondContact O-CA 3.32Å; F45-Y52 PolarHBondContact N-O 3.3Å; F45-Y52 PolarHBondContact O-N 3.09Å; F45-W66 HydrophobicContact CB-CD2 3.74Å; F45-W66 HydrophobicContact CB-CE3 3.49Å; F45-W66 VanDerWaalsContact CB-CE3 3.49Å; F45-W66 HydrophobicContact CB-CG 4.46Å; F45-W66 HydrophobicContact CB-CH2 3.85Å; F45-W66 HydrophobicContact CB-CZ2 4.07Å; F45-W66 HydrophobicContact CB-CZ3 3.57Å; F45-W66 HydrophobicContact CD2-CH2 4.43Å; F45-W66 HydrophobicContact CD2-CZ2 4.3Å; F45-W66 HydrophobicContact CG-CD2 4.38Å; F45-W66 HydrophobicContact CG-CH2 4.44Å; F45-W66 HydrophobicContact CG-CZ2 4.28Å; F45-L80 HydrophobicContact CD1-CD2 3.26Å; F45-L80 HydrophobicContact CE1-CD2 3.34Å; F45-L80 HydrophobicContact CG-CD2 4.49Å; F45-T82 HydrophobicContact CD1-CG2 4.3Å; F45-T82 HydrophobicContact CE1-CG2 4.03Å; F45-T82 HydrophobicContact CZ-CG2 4.3Å; F45-V89 HydrophobicContact CE1-CG2 3.71Å; F45-V89 HydrophobicContact CZ-CG2 4.02Å
46	F	90.8	Very high	80.6	Confident	34 Å²	34	63.7 Å²	63.7	15%	0.149	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	127.1	-178.4	-54.6	-72.7	0	0	0	109.5	T34 K44 Y50 M51 V105 N108	T34-F46 WeakPolarHBondContact O-CE2 3.35Å; K44-F46 HydrophobicContact CB-CZ 4.44Å; F46-Y50 WeakPolarHBondContact CA-O 3.37Å; F46-M51 HydrophobicContact CD1-CB 4.06Å; F46-M51 HydrophobicContact CD1-CG 3.95Å; F46-M51 HydrophobicContact CD1-SD 4.39Å; F46-M51 HydrophobicContact CE1-CB 4.16Å; F46-M51 HydrophobicContact CE1-CG 3.7Å; F46-M51 HydrophobicContact CE1-SD 3.56Å; F46-M51 VanDerWaalsContact CE1-SD 3.56Å; F46-M51 HydrophobicContact CZ-SD 4.23Å; F46-V105 HydrophobicContact CB-CG1 3.78Å; F46-V105 HydrophobicContact CD1-CB 4.16Å; F46-V105 HydrophobicContact CD1-CG1 3.64Å; F46-V105 HydrophobicContact CD1-CG2 4Å; F46-V105 HydrophobicContact CE1-CG1 4.44Å; F46-V105 HydrophobicContact CG-CG1 3.84Å; F46-N108 HydrophobicContact CE1-CB 3.73Å; F46-N108 HydrophobicContact CZ-CB 3.55Å
47	H	91	Very high	82.8	Confident	44 Å²	44	67.1 Å²	67.1	20%	0.204	33%	0.327	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	129.8	179.4	-176.6	60.2	0	0	0	110.4	F45 G49 Y50 Y52 L80	F45-H47 HydrophobicContact CD1-CB 4.18Å; F45-H47 HydrophobicContact CE1-CB 3.82Å; H47-G49 VanDerWaalsContact C-N 3.27Å; H47-G49 PolarHBondContact O-N 3.23Å; H47-Y50 PolarHBondContact N-O 2.8Å; H47-Y50 WeakPolarHBondContact O-CA 3.31Å; H47-Y50 WeakPolarHBondContact O-CB 3.1Å; H47-Y50 PolarHBondContact O-N 2.84Å; H47-Y52 HydrophobicContact CB-CE2 3.97Å; H47-L80 HydrophobicContact CB-CD2 3.91Å
48	N	90.3	Very high	84.8	Confident	108 Å²	108	65.5 Å²	65.5	58%	0.578	32%	0.316	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	40.6	176.8	-60.8	-13.4	0	0	0	114.5	Y50	N48-Y50 HydrophobicContact CB-CD2 4.36Å; N48-Y50 WeakPolarHBondContact O-CD2 3.13Å; N48-Y50 WeakPolarHBondContact O-CE2 3.43Å; N48-Y50 PolarHBondContact O-N 3.07Å
49	G	91.4	Very high	86.7	Confident	20 Å²	20	73.2 Å²	73.2	21%	0.206	35%	0.349	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.2	6.8	-178.2	0	0	0	0	0	114.7	H47 D101	H47-G49 VanDerWaalsContact C-N 3.27Å; H47-G49 PolarHBondContact O-N 3.23Å; G49-D101 CarbonylContact O-C 3.55Å; G49-D101 PolarHBondContact O-N 3.31Å
50	Y	93.2	Very high	88.9	Confident	47 Å²	47	67 Å²	67	18%	0.184	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	152.9	173.5	-59.1	-74.6	0	0	0	111.3	F46 H47 N48 H96 H98 S100	F46-Y50 WeakPolarHBondContact CA-O 3.37Å; H47-Y50 PolarHBondContact N-O 2.8Å; H47-Y50 WeakPolarHBondContact O-CA 3.31Å; H47-Y50 WeakPolarHBondContact O-CB 3.1Å; H47-Y50 PolarHBondContact O-N 2.84Å; N48-Y50 HydrophobicContact CB-CD2 4.36Å; N48-Y50 WeakPolarHBondContact O-CD2 3.13Å; N48-Y50 WeakPolarHBondContact O-CE2 3.43Å; N48-Y50 PolarHBondContact O-N 3.07Å; Y50-H96 HydrophobicContact CD1-CB 4.39Å; Y50-H96 AromaticContact CD1-CD2 3.9Å; Y50-H96 AromaticContact CD1-CE1 3.66Å; Y50-H96 AromaticContact CD1-CG 3.69Å; Y50-H96 AromaticContact CD1-ND1 3.55Å; Y50-H96 AromaticContact CD1-NE2 3.91Å; Y50-H96 AromaticContact CD2-CD2 3.66Å; Y50-H96 AromaticContact CD2-NE2 3.74Å; Y50-H96 HydrophobicContact CE1-CB 3.7Å; Y50-H96 AromaticContact CE1-CD2 3.89Å; Y50-H96 AromaticContact CE1-CG 3.49Å; Y50-H96 VanDerWaalsContact CE1-CG 3.49Å; Y50-H96 AromaticContact CE1-ND1 3.76Å; Y50-H96 AromaticContact CE2-CD2 3.7Å; Y50-H96 AromaticContact CG-CD2 3.75Å; Y50-H96 AromaticContact CG-CE1 3.65Å; Y50-H96 AromaticContact CG-ND1 3.99Å; Y50-H96 AromaticContact CG-NE2 3.54Å; Y50-H96 AromaticContact CZ-CD2 3.8Å; Y50-H96 AromaticContact CZ-CG 3.72Å; Y50-H98 AromaticContact CD1-CE1 3.62Å; Y50-H98 AromaticContact CE1-CE1 3.71Å; Y50-H98 AromaticContact CE1-ND1 3.86Å; Y50-H98 PolarHBondContact OH-O 3.4Å; Y50-S100 VanDerWaalsContact CE1-CA 3.42Å; Y50-S100 PolarHBondContact OH-N 3.31Å
51	M	92.3	Very high	90.8	Very high	30 Å²	30	63.9 Å²	63.9	15%	0.148	32%	0.32	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.4	137	173.3	-177.6	175.2	44	0	0	110	K44 F45 F46 D69	K44-M51 HydrophobicContact CB-CG 4.41Å; K44-M51 HydrophobicContact CB-SD 4.36Å; K44-M51 HydrophobicContact CD-CG 4.12Å; K44-M51 HydrophobicContact CD-SD 3.86Å; K44-M51 HydrophobicContact CG-SD 4.19Å; F45-M51 CarbonylContact O-C 3.52Å; F45-M51 WeakPolarHBondContact O-CA 3.32Å; F46-M51 HydrophobicContact CD1-CB 4.06Å; F46-M51 HydrophobicContact CD1-CG 3.95Å; F46-M51 HydrophobicContact CD1-SD 4.39Å; F46-M51 HydrophobicContact CE1-CB 4.16Å; F46-M51 HydrophobicContact CE1-CG 3.7Å; F46-M51 HydrophobicContact CE1-SD 3.56Å; F46-M51 VanDerWaalsContact CE1-SD 3.56Å; F46-M51 HydrophobicContact CZ-SD 4.23Å; M51-D69 HydrophobicContact CB-CB 4.35Å; M51-D69 HydrophobicContact CE-CB 4.02Å; M51-D69 WeakPolarHBondContact CE-OD2 3.44Å; M51-D69 HydrophobicContact CG-CB 4.21Å; M51-D69 WeakPolarHBondContact O-CB 3.23Å; M51-D69 PolarHBondContact O-N 2.73Å
52	Y	93.5	Very high	92.4	Very high	0 Å²	0	63.4 Å²	63.4	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	154.7	176.5	-53.1	-102	0	0	0	110	K44 F45 H47 W66 R67 L80 H96	K44-Y52 CarbonylContact C-O 3.44Å; K44-Y52 WeakPolarHBondContact CA-O 3.47Å; K44-Y52 WeakPolarHBondContact CD-O 3.37Å; F45-Y52 PolarHBondContact N-O 3.3Å; F45-Y52 PolarHBondContact O-N 3.09Å; H47-Y52 HydrophobicContact CB-CE2 3.97Å; Y52-W66 HydrophobicContact CD1-CB 4.37Å; Y52-W66 HydrophobicContact CG-CB 4.22Å; Y52-R67 CarbonylContact C-O 3.43Å; Y52-R67 WeakPolarHBondContact CA-O 3.36Å; Y52-R67 WeakPolarHBondContact CB-O 3.44Å; Y52-L80 HydrophobicContact CD1-CB 3.88Å; Y52-L80 HydrophobicContact CD2-CB 4.46Å; Y52-L80 HydrophobicContact CD2-CD2 4.18Å; Y52-L80 HydrophobicContact CE1-CB 3.88Å; Y52-L80 HydrophobicContact CE2-CB 4.46Å; Y52-L80 HydrophobicContact CE2-CD2 4.13Å; Y52-L80 HydrophobicContact CG-CB 4.2Å; Y52-H96 AromaticContact CE1-CE1 3.96Å; Y52-H96 AromaticContact CE1-NE2 3.74Å; Y52-H96 AromaticContact CZ-CE1 3.93Å; Y52-H96 AromaticContact CZ-NE2 3.45Å; Y52-H96 PolarHBondContact OH-NE2 3.15Å
53	T	93.4	Very high	93.5	Very high	9 Å²	9	60.1 Å²	60.1	6%	0.055	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.8	138.4	171.4	-52.3	0	0	0	0	109	K42 E43 K44 A55 W66 R67 D69	K42-T53 HydrophobicContact CB-CG2 3.68Å; K42-T53 HydrophobicContact CD-CG2 4.03Å; E43-T53 WeakPolarHBondContact O-CA 3.32Å; K44-T53 HydrophobicContact CD-CG2 4.37Å; K44-T53 WeakPolarHBondContact CD-OG1 3.47Å; K44-T53 WeakPolarHBondContact CE-OG1 3.5Å; K44-T53 PolarHBondContact NZ-OG1 3.41Å; T53-A55 PolarHBondContact O-N 2.94Å; T53-W66 WeakPolarHBondContact O-CA 3.39Å; T53-R67 PolarHBondContact N-O 3.5Å; T53-R67 PolarHBondContact O-N 3.42Å; T53-D69 PolarHBondContact OG1-OD1 2.98Å
54	F	94.3	Very high	93.9	Very high	47 Å²	47	59.3 Å²	59.3	21%	0.206	30%	0.297	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-58.8	132.8	176	178.3	-106	0	0	0	110.5	E43 Q56 F57 K64 W66	E43-F54 HydrophobicContact CB-CB 3.81Å; E43-F54 PolarHBondContact O-N 3.28Å; F54-Q56 VanDerWaalsContact CE2-C 3.45Å; F54-Q56 WeakPolarHBondContact CE2-O 3.47Å; F54-Q56 VanDerWaalsContact CZ-CA 3.4Å; F54-F57 HydrophobicContact CE1-CE2 4.39Å; F54-F57 HydrophobicContact CE2-CD2 4.31Å; F54-F57 HydrophobicContact CE2-CE2 4.27Å; F54-F57 HydrophobicContact CE2-CG 4.45Å; F54-F57 HydrophobicContact CE2-CZ 4.39Å; F54-F57 AromaticContact CZ-CD2 3.58Å; F54-F57 HydrophobicContact CZ-CD2 3.58Å; F54-F57 AromaticContact CZ-CE2 3.6Å; F54-F57 HydrophobicContact CZ-CE2 3.6Å; F54-F57 HydrophobicContact CZ-CG 4.09Å; F54-F57 HydrophobicContact CZ-CZ 4.15Å; F54-K64 HydrophobicContact CD2-CB 4.06Å; F54-K64 HydrophobicContact CD2-CD 4.38Å; F54-K64 HydrophobicContact CD2-CG 4.25Å; F54-K64 HydrophobicContact CE2-CB 3.82Å; F54-K64 HydrophobicContact CE2-CD 4.32Å; F54-K64 HydrophobicContact CE2-CG 3.81Å; F54-W66 VanDerWaalsContact CA-CE3 3.47Å; F54-W66 HydrophobicContact CB-CE3 3.8Å; F54-W66 HydrophobicContact CB-CH2 4.37Å; F54-W66 HydrophobicContact CB-CZ3 3.63Å; F54-W66 HydrophobicContact CD2-CZ3 4.46Å; F54-W66 VanDerWaalsContact N-CE3 3.32Å
55	A	94.9	Very high	94.3	Very high	41 Å²	41	60.8 Å²	60.8	34%	0.339	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	-59.6	174.1	0	0	0	0	0	111.3	T53 F65 R67	T53-A55 PolarHBondContact O-N 2.94Å; A55-F65 WeakPolarHBondContact CB-O 3.31Å; A55-F65 PolarHBondContact N-O 3.49Å; A55-R67 HydrophobicContact CB-CG 3.9Å
56	Q	95.2	Very high	94.7	Very high	110 Å²	110	60.4 Å²	60.4	51%	0.514	30%	0.302	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.3	169	-175.6	66.1	-169.7	-19.3	0	0	111.1	F54 F65	F54-Q56 VanDerWaalsContact CE2-C 3.45Å; F54-Q56 WeakPolarHBondContact CE2-O 3.47Å; F54-Q56 VanDerWaalsContact CZ-CA 3.4Å; Q56-F65 HydrophobicContact CG-CB 4.46Å; Q56-F65 HydrophobicContact CG-CD2 3.88Å; Q56-F65 PolarHBondContact N-O 3.2Å; Q56-F65 WeakPolarHBondContact O-CB 3.33Å; Q56-F65 PolarHBondContact O-N 2.98Å
57	F	96.8	Very high	95	Very high	83 Å²	83	63.4 Å²	63.4	36%	0.364	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	164.5	168.5	-72.5	-79.6	0	0	0	112.1	F54 K61 I63 K64 A84	F54-F57 HydrophobicContact CE1-CE2 4.39Å; F54-F57 HydrophobicContact CE2-CD2 4.31Å; F54-F57 HydrophobicContact CE2-CE2 4.27Å; F54-F57 HydrophobicContact CE2-CG 4.45Å; F54-F57 HydrophobicContact CE2-CZ 4.39Å; F54-F57 AromaticContact CZ-CD2 3.58Å; F54-F57 HydrophobicContact CZ-CD2 3.58Å; F54-F57 AromaticContact CZ-CE2 3.6Å; F54-F57 HydrophobicContact CZ-CE2 3.6Å; F54-F57 HydrophobicContact CZ-CG 4.09Å; F54-F57 HydrophobicContact CZ-CZ 4.15Å; F57-K61 HydrophobicContact CB-CB 4.48Å; F57-K61 HydrophobicContact CB-CG 4.3Å; F57-K61 HydrophobicContact CD1-CB 4.4Å; F57-K61 HydrophobicContact CG-CB 4.43Å; F57-K61 HydrophobicContact CG-CG 4.49Å; F57-I63 CarbonylContact C-O 3.45Å; F57-I63 VanDerWaalsContact CA-O 3.24Å; F57-I63 WeakPolarHBondContact CA-O 3.4Å; F57-K64 HydrophobicContact CD1-CG 3.85Å; F57-K64 HydrophobicContact CE1-CD 4.23Å; F57-K64 HydrophobicContact CE1-CG 3.4Å; F57-K64 HydrophobicContact CZ-CG 4.11Å; F57-A84 HydrophobicContact CD1-CB 4.28Å; F57-A84 HydrophobicContact CE1-CB 3.84Å
58	N	96.5	Very high	95.2	Very high	33 Å²	33	61.4 Å²	61.4	18%	0.176	30%	0.303	C	S	.	.			trans	-69.3	172.3	157.4	74.3	-25	0	0	0	111	S60 K61 E62 I63 F65	N58-S60 VanDerWaalsContact C-N 3.31Å; N58-S60 PolarHBondContact O-N 3.4Å; N58-K61 PolarHBondContact O-N 3.47Å; N58-K61 WeakPolarHBondContact OD1-CA 3.39Å; N58-K61 PolarHBondContact OD1-N 3.46Å; N58-E62 PolarHBondContact OD1-N 3.15Å; N58-I63 HydrophobicContact CB-CB 4.08Å; N58-I63 PolarHBondContact N-O 2.88Å; N58-I63 PolarHBondContact OD1-N 2.82Å; N58-F65 HydrophobicContact CB-CE2 3.8Å; N58-F65 HydrophobicContact CB-CZ 3.82Å
59	H	96.3	Very high	95.3	Very high	192 Å²	192	58.5 Å²	58.5	89%	0.889	29%	0.288	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.1	-45.7	-179.1	-174.2	73.8	0	0	0	112.4	K61	H59-K61 VanDerWaalsContact C-N 3.25Å; H59-K61 PolarHBondContact O-N 3.25Å
60	S	96.6	Very high	95.5	Very high	75 Å²	75	60.3 Å²	60.3	52%	0.524	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-4.1	180	-44.5	0	0	0	0	114.8	N58 E62	N58-S60 VanDerWaalsContact C-N 3.31Å; N58-S60 PolarHBondContact O-N 3.4Å; S60-E62 PolarHBondContact O-N 2.72Å
61	K	95.5	Very high	95.6	Very high	153 Å²	153	61.1 Å²	61.1	67%	0.665	29%	0.292	S	S	*	.	S	Bend	trans	60.2	20.3	-174.2	-56	-179	-179	175.5	0	116.2	F57 N58 H59 A84	F57-K61 HydrophobicContact CB-CB 4.48Å; F57-K61 HydrophobicContact CB-CG 4.3Å; F57-K61 HydrophobicContact CD1-CB 4.4Å; F57-K61 HydrophobicContact CG-CB 4.43Å; F57-K61 HydrophobicContact CG-CG 4.49Å; N58-K61 PolarHBondContact O-N 3.47Å; N58-K61 WeakPolarHBondContact OD1-CA 3.39Å; N58-K61 PolarHBondContact OD1-N 3.46Å; H59-K61 VanDerWaalsContact C-N 3.25Å; H59-K61 PolarHBondContact O-N 3.25Å; K61-A84 WeakPolarHBondContact O-CB 3.29Å
62	E	97.3	Very high	95.7	Very high	128 Å²	128	66.9 Å²	66.9	60%	0.598	32%	0.319	S	S	*	.			trans	-91.1	-19.4	178.2	-64.3	169.8	150.6	0	0	112.9	N58 S60 S83 A84	N58-E62 PolarHBondContact OD1-N 3.15Å; S60-E62 PolarHBondContact O-N 2.72Å; E62-S83 CarbonylContact O-C 3.46Å; E62-A84 WeakPolarHBondContact O-CB 3.44Å; E62-A84 PolarHBondContact O-N 3.46Å
63	I	97.1	Very high	95.7	Very high	44 Å²	44	73.3 Å²	73.3	23%	0.226	35%	0.351	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124	130.9	-177.9	-57.9	177.2	0	0	0	109.3	F57 N58 F65 H81 T82 L90	F57-I63 CarbonylContact C-O 3.45Å; F57-I63 VanDerWaalsContact CA-O 3.24Å; F57-I63 WeakPolarHBondContact CA-O 3.4Å; N58-I63 HydrophobicContact CB-CB 4.08Å; N58-I63 PolarHBondContact N-O 2.88Å; N58-I63 PolarHBondContact OD1-N 2.82Å; I63-F65 HydrophobicContact CG2-CD1 4.12Å; I63-F65 HydrophobicContact CG2-CE1 3.79Å; I63-F65 HydrophobicContact CG2-CZ 4.32Å; I63-H81 HydrophobicContact CG2-CB 4.12Å; I63-T82 CarbonylContact C-O 3.51Å; I63-T82 VanDerWaalsContact CA-O 3.28Å; I63-T82 WeakPolarHBondContact CA-O 3.41Å; I63-T82 WeakPolarHBondContact CG2-O 3.48Å; I63-L90 HydrophobicContact CD1-CD1 4.12Å; I63-L90 HydrophobicContact CG1-CD1 3.86Å; I63-L90 HydrophobicContact CG2-CD1 4.28Å
64	K	97.2	Very high	95.9	Very high	21 Å²	21	78 Å²	78	9%	0.091	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-93	131	167	-65.5	178.7	177.5	177.7	0	109.7	E43 F54 F57 W66 H81 T82 A84 N87	E43-K64 IonicContact OE1-NZ 2.79Å; E43-K64 PolarHBondContact OE1-NZ 3.34Å; E43-K64 IonicContact OE2-NZ 3.97Å; E43-K64 PolarHBondContact OE2-NZ 2.97Å; F54-K64 HydrophobicContact CD2-CB 4.06Å; F54-K64 HydrophobicContact CD2-CD 4.38Å; F54-K64 HydrophobicContact CD2-CG 4.25Å; F54-K64 HydrophobicContact CE2-CB 3.82Å; F54-K64 HydrophobicContact CE2-CD 4.32Å; F54-K64 HydrophobicContact CE2-CG 3.81Å; F57-K64 HydrophobicContact CD1-CG 3.85Å; F57-K64 HydrophobicContact CE1-CD 4.23Å; F57-K64 HydrophobicContact CE1-CG 3.4Å; F57-K64 HydrophobicContact CZ-CG 4.11Å; K64-W66 HydrophobicContact CB-CZ2 3.95Å; K64-W66 HydrophobicContact CD-CH2 4.12Å; K64-W66 HydrophobicContact CD-CZ2 3.46Å; K64-W66 VanDerWaalsContact CD-CZ2 3.46Å; K64-W66 HydrophobicContact CG-CZ2 4.36Å; K64-W66 PolarHBondContact O-NE1 3.49Å; K64-H81 WeakPolarHBondContact O-CA 3.5Å; K64-T82 PolarHBondContact N-O 2.84Å; K64-T82 PolarHBondContact O-N 3.31Å; K64-A84 HydrophobicContact CG-CB 4.3Å; K64-N87 PolarHBondContact NZ-OD1 3.48Å
65	F	97.1	Very high	96	Very high	50 Å²	50	78.3 Å²	78.3	22%	0.219	39%	0.388	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	131.1	171.5	-58.9	-58.4	0	0	0	110.5	A55 Q56 N58 I63 H81	A55-F65 WeakPolarHBondContact CB-O 3.31Å; A55-F65 PolarHBondContact N-O 3.49Å; Q56-F65 HydrophobicContact CG-CB 4.46Å; Q56-F65 HydrophobicContact CG-CD2 3.88Å; Q56-F65 PolarHBondContact N-O 3.2Å; Q56-F65 WeakPolarHBondContact O-CB 3.33Å; Q56-F65 PolarHBondContact O-N 2.98Å; N58-F65 HydrophobicContact CB-CE2 3.8Å; N58-F65 HydrophobicContact CB-CZ 3.82Å; I63-F65 HydrophobicContact CG2-CD1 4.12Å; I63-F65 HydrophobicContact CG2-CE1 3.79Å; I63-F65 HydrophobicContact CG2-CZ 4.32Å; F65-H81 AromaticContact CD1-CD2 3.61Å; F65-H81 AromaticContact CD1-CE1 3.61Å; F65-H81 AromaticContact CD1-CG 3.74Å; F65-H81 AromaticContact CD1-ND1 3.74Å; F65-H81 AromaticContact CD1-NE2 3.53Å; F65-H81 AromaticContact CE1-CE1 3.33Å; F65-H81 WeakPolarHBondContact CE1-CE1 3.39Å; F65-H81 AromaticContact CE1-CG 3.89Å; F65-H81 AromaticContact CE1-ND1 3.42Å; F65-H81 WeakPolarHBondContact CE1-ND1 3.49Å; F65-H81 AromaticContact CE1-NE2 3.76Å
66	W	97.4	Very high	96.1	Very high	0 Å²	0	76.5 Å²	76.5	0%	0	37%	0.372	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121	148.2	-177.7	-47	84.5	0	0	0	110.8	E43 F45 Y52 T53 F54 K64 R79 L80 T82	E43-W66 HydrophobicContact CB-CH2 4.44Å; E43-W66 HydrophobicContact CB-CZ3 4.16Å; E43-W66 VanDerWaalsContact CD-CH2 3.49Å; E43-W66 HydrophobicContact CG-CH2 3.83Å; E43-W66 HydrophobicContact CG-CZ3 3.96Å; E43-W66 WeakPolarHBondContact OE1-CH2 3.43Å; F45-W66 HydrophobicContact CB-CD2 3.74Å; F45-W66 HydrophobicContact CB-CE3 3.49Å; F45-W66 VanDerWaalsContact CB-CE3 3.49Å; F45-W66 HydrophobicContact CB-CG 4.46Å; F45-W66 HydrophobicContact CB-CH2 3.85Å; F45-W66 HydrophobicContact CB-CZ2 4.07Å; F45-W66 HydrophobicContact CB-CZ3 3.57Å; F45-W66 HydrophobicContact CD2-CH2 4.43Å; F45-W66 HydrophobicContact CD2-CZ2 4.3Å; F45-W66 HydrophobicContact CG-CD2 4.38Å; F45-W66 HydrophobicContact CG-CH2 4.44Å; F45-W66 HydrophobicContact CG-CZ2 4.28Å; Y52-W66 HydrophobicContact CD1-CB 4.37Å; Y52-W66 HydrophobicContact CG-CB 4.22Å; T53-W66 WeakPolarHBondContact O-CA 3.39Å; F54-W66 VanDerWaalsContact CA-CE3 3.47Å; F54-W66 HydrophobicContact CB-CE3 3.8Å; F54-W66 HydrophobicContact CB-CH2 4.37Å; F54-W66 HydrophobicContact CB-CZ3 3.63Å; F54-W66 HydrophobicContact CD2-CZ3 4.46Å; F54-W66 VanDerWaalsContact N-CE3 3.32Å; K64-W66 HydrophobicContact CB-CZ2 3.95Å; K64-W66 HydrophobicContact CD-CH2 4.12Å; K64-W66 HydrophobicContact CD-CZ2 3.46Å; K64-W66 VanDerWaalsContact CD-CZ2 3.46Å; K64-W66 HydrophobicContact CG-CZ2 4.36Å; K64-W66 PolarHBondContact O-NE1 3.49Å; W66-R79 VanDerWaalsContact O-CA 3.28Å; W66-R79 WeakPolarHBondContact O-CA 3.38Å; W66-R79 WeakPolarHBondContact O-CD 3.38Å; W66-L80 HydrophobicContact CB-CB 4.01Å; W66-L80 VanDerWaalsContact CD1-O 3.26Å; W66-L80 HydrophobicContact CG-CB 4.38Å; W66-L80 PolarHBondContact N-O 2.87Å; W66-L80 PolarHBondContact O-N 3.34Å; W66-L80 VanDerWaalsContact O-N 3.1Å; W66-T82 VanDerWaalsContact NE1-CG2 3.27Å; W66-T82 PolarHBondContact NE1-OG1 2.95Å
67	R	97.1	Very high	96.2	Very high	96 Å²	96	76.1 Å²	76.1	36%	0.362	37%	0.373	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.4	140.7	176	-59.1	-170.8	178.3	-124.9	-0.7	109.3	Y52 T53 A55 D69 R79	Y52-R67 CarbonylContact C-O 3.43Å; Y52-R67 WeakPolarHBondContact CA-O 3.36Å; Y52-R67 WeakPolarHBondContact CB-O 3.44Å; T53-R67 PolarHBondContact N-O 3.5Å; T53-R67 PolarHBondContact O-N 3.42Å; A55-R67 HydrophobicContact CB-CG 3.9Å; R67-D69 PolarHBondContact O-N 2.68Å; R67-R79 VanDerWaalsContact CB-NH1 3.31Å; R67-R79 VanDerWaalsContact CG-NH1 3.28Å
68	C	96.5	Very high	96.3	Very high	2 Å²	2	72.1 Å²	72.1	1%	0.014	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-49.5	136.2	172.6	-179.4	0	0	0	0	111	K70 R71 C76 A78 H96 H98	C68-K70 VanDerWaalsContact C-N 3.3Å; C68-K70 PolarHBondContact SG-N 3.03Å; C68-K70 VanDerWaalsContact SG-N 3.4Å; C68-R71 WeakPolarHBondContact O-CB 3.43Å; C68-R71 WeakPolarHBondContact O-CG 3.39Å; C68-R71 PolarHBondContact O-N 3.23Å; C68-C76 HydrophobicContact CB-CB 4.15Å; C68-A78 HydrophobicContact CB-CB 4.33Å; C68-A78 PolarHBondContact N-O 3Å; C68-H96 VanDerWaalsContact SG-CE1 3.58Å; C68-H98 PolarHBondContact SG-NE2 2.92Å
69	D	92.6	Very high	96.4	Very high	48 Å²	48	73.1 Å²	73.1	26%	0.257	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-32.2	-179.9	-161	36.7	0	0	0	112.5	K44 M51 T53 R67 R71	K44-D69 IonicContact NZ-OD1 3.46Å; K44-D69 PolarHBondContact NZ-OD1 3.4Å; K44-D69 IonicContact NZ-OD2 2.84Å; K44-D69 PolarHBondContact NZ-OD2 3.19Å; M51-D69 HydrophobicContact CB-CB 4.35Å; M51-D69 HydrophobicContact CE-CB 4.02Å; M51-D69 WeakPolarHBondContact CE-OD2 3.44Å; M51-D69 HydrophobicContact CG-CB 4.21Å; M51-D69 WeakPolarHBondContact O-CB 3.23Å; M51-D69 PolarHBondContact O-N 2.73Å; T53-D69 PolarHBondContact OG1-OD1 2.98Å; R67-D69 PolarHBondContact O-N 2.68Å; D69-R71 PolarHBondContact O-N 2.88Å
70	K	94	Very high	96.4	Very high	57 Å²	57	64 Å²	64	25%	0.248	31%	0.314	C	S	.	.	T	Hydrogen-bonded Turn	trans	-77.2	7	176.8	-77.5	-177	179.9	-179.4	0	113.6	C68 H72 I73 F74 D101	C68-K70 VanDerWaalsContact C-N 3.3Å; C68-K70 PolarHBondContact SG-N 3.03Å; C68-K70 VanDerWaalsContact SG-N 3.4Å; K70-H72 PolarHBondContact O-N 3.4Å; K70-H72 VanDerWaalsContact O-N 3.15Å; K70-I73 PolarHBondContact O-N 3.44Å; K70-I73 VanDerWaalsContact O-N 3.11Å; K70-F74 HydrophobicContact CB-CD2 3.85Å; K70-F74 HydrophobicContact CB-CE2 4.46Å; K70-F74 HydrophobicContact CD-CD2 4.06Å; K70-F74 HydrophobicContact CD-CE2 3.84Å; K70-F74 HydrophobicContact CG-CD2 4.19Å; K70-F74 HydrophobicContact CG-CE2 4.31Å; K70-F74 PolarHBondContact O-N 3.05Å; K70-D101 IonicContact NZ-OD2 2.63Å; K70-D101 PolarHBondContact NZ-OD2 3.41Å
71	R	95.7	Very high	96.4	Very high	64 Å²	64	62 Å²	62	24%	0.242	30%	0.297	C	S	.	.	H	α-helix	trans	-54.6	-34.4	-179.1	74.5	-174	-179.3	-73.5	-1.3	114.9	C68 D69 G75 C76	C68-R71 WeakPolarHBondContact O-CB 3.43Å; C68-R71 WeakPolarHBondContact O-CG 3.39Å; C68-R71 PolarHBondContact O-N 3.23Å; D69-R71 PolarHBondContact O-N 2.88Å; R71-G75 CarbonylContact O-C 3.58Å; R71-G75 WeakPolarHBondContact O-CA 3.43Å; R71-G75 PolarHBondContact O-N 3.37Å; R71-C76 WeakPolarHBondContact CB-O 3.21Å; R71-C76 PolarHBondContact O-N 2.9Å
72	H	94.4	Very high	96.5	Very high	151 Å²	151	54.7 Å²	54.7	70%	0.699	27%	0.265	S	S	*	.	H	α-helix	trans	-86.1	-23.6	-176.6	-65.8	-46.3	0	0	0	112.5	K70	K70-H72 PolarHBondContact O-N 3.4Å; K70-H72 VanDerWaalsContact O-N 3.15Å
73	I	95	Very high	96.5	Very high	135 Å²	135	49.5 Å²	49.5	69%	0.692	24%	0.243	S	C	*	.	H	α-helix	trans	-87.9	-43.4	-179.4	-60.6	174	0	0	0	109.9	K70	K70-I73 PolarHBondContact O-N 3.44Å; K70-I73 VanDerWaalsContact O-N 3.11Å
74	F	95.6	Very high	96.4	Very high	108 Å²	108	48.7 Å²	48.7	47%	0.474	24%	0.243	S	C	.	.	H	α-helix	trans	-109	1.5	-174.4	-70.7	-90	0	0	0	114	K70 C76 C97 H98	K70-F74 HydrophobicContact CB-CD2 3.85Å; K70-F74 HydrophobicContact CB-CE2 4.46Å; K70-F74 HydrophobicContact CD-CD2 4.06Å; K70-F74 HydrophobicContact CD-CE2 3.84Å; K70-F74 HydrophobicContact CG-CD2 4.19Å; K70-F74 HydrophobicContact CG-CE2 4.31Å; K70-F74 PolarHBondContact O-N 3.05Å; F74-C76 PolarHBondContact O-N 3.07Å; F74-C97 PolarHBondContact O-SG 3.46Å; F74-H98 HydrophobicContact CB-CB 4.41Å; F74-H98 HydrophobicContact CD1-CB 3.72Å; F74-H98 HydrophobicContact CD2-CB 4.33Å; F74-H98 HydrophobicContact CE1-CB 3.97Å; F74-H98 HydrophobicContact CG-CB 3.9Å; F74-H98 HydrophobicContact CZ-CB 4.37Å
75	G	96.8	Very high	96.2	Very high	53 Å²	53	52.3 Å²	52.3	55%	0.546	28%	0.276	S	S	.	.			trans	66	17.1	-170.1	0	0	0	0	0	113.6	R71 I77	R71-G75 CarbonylContact O-C 3.58Å; R71-G75 WeakPolarHBondContact O-CA 3.43Å; R71-G75 PolarHBondContact O-N 3.37Å; G75-I77 PolarHBondContact O-N 2.89Å
76	C	97.8	Very high	96	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.02	29%	0.289	C	S	.	.			trans	-61.2	125.2	-171.9	-174.4	0	0	0	0	113.4	C68 R71 F74 H96 C97	C68-C76 HydrophobicContact CB-CB 4.15Å; R71-C76 WeakPolarHBondContact CB-O 3.21Å; R71-C76 PolarHBondContact O-N 2.9Å; F74-C76 PolarHBondContact O-N 3.07Å; C76-H96 PolarHBondContact SG-ND1 3.34Å; C76-C97 VanDerWaalsContact CA-SG 3.57Å
77	I	97.8	Very high	95.8	Very high	102 Å²	102	55.1 Å²	55.1	52%	0.523	30%	0.297	S	S	.	.			trans	-97.1	-2.5	-178.3	63.6	169.9	0	0	0	114.1	G75 N94	G75-I77 PolarHBondContact O-N 2.89Å; I77-N94 HydrophobicContact CD1-CB 4.22Å; I77-N94 HydrophobicContact CG1-CB 4.07Å; I77-N94 PolarHBondContact O-ND2 2.84Å
78	A	98.1	Very high	95.6	Very high	0 Å²	0	56.3 Å²	56.3	0%	0	31%	0.306	C	S	.	.			trans	-56	141.6	179.7	0	0	0	0	0	112.2	C68	C68-A78 HydrophobicContact CB-CB 4.33Å; C68-A78 PolarHBondContact N-O 3Å
79	R	98	Very high	95.6	Very high	54 Å²	54	58.7 Å²	58.7	20%	0.204	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.1	151.9	177.5	-57.1	-76.5	174.9	-100	-8	109.8	W66 R67 Q92 V93	W66-R79 VanDerWaalsContact O-CA 3.28Å; W66-R79 WeakPolarHBondContact O-CA 3.38Å; W66-R79 WeakPolarHBondContact O-CD 3.38Å; R67-R79 VanDerWaalsContact CB-NH1 3.31Å; R67-R79 VanDerWaalsContact CG-NH1 3.28Å; R79-Q92 WeakPolarHBondContact O-CA 3.35Å; R79-V93 HydrophobicContact CB-CB 4.11Å; R79-V93 PolarHBondContact N-O 2.92Å; R79-V93 PolarHBondContact O-N 3.28Å
80	L	97.3	Very high	95.8	Very high	0 Å²	0	60.9 Å²	60.9	0%	0	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	143.3	170.2	-156.7	73.1	0	0	0	109.2	F45 H47 Y52 W66 T82 V89 Q92	F45-L80 HydrophobicContact CD1-CD2 3.26Å; F45-L80 HydrophobicContact CE1-CD2 3.34Å; F45-L80 HydrophobicContact CG-CD2 4.49Å; H47-L80 HydrophobicContact CB-CD2 3.91Å; Y52-L80 HydrophobicContact CD1-CB 3.88Å; Y52-L80 HydrophobicContact CD2-CB 4.46Å; Y52-L80 HydrophobicContact CD2-CD2 4.18Å; Y52-L80 HydrophobicContact CE1-CB 3.88Å; Y52-L80 HydrophobicContact CE2-CB 4.46Å; Y52-L80 HydrophobicContact CE2-CD2 4.13Å; Y52-L80 HydrophobicContact CG-CB 4.2Å; W66-L80 HydrophobicContact CB-CB 4.01Å; W66-L80 VanDerWaalsContact CD1-O 3.26Å; W66-L80 HydrophobicContact CG-CB 4.38Å; W66-L80 PolarHBondContact N-O 2.87Å; W66-L80 PolarHBondContact O-N 3.34Å; W66-L80 VanDerWaalsContact O-N 3.1Å; L80-T82 HydrophobicContact CD2-CG2 4.09Å; L80-T82 HydrophobicContact CG-CG2 4.45Å; L80-V89 HydrophobicContact CD1-CG1 3.66Å; L80-V89 HydrophobicContact CD2-CG1 4.3Å; L80-V89 HydrophobicContact CD2-CG2 4Å; L80-V89 HydrophobicContact CG-CG1 4.04Å; L80-Q92 HydrophobicContact CD1-CB 3.94Å; L80-Q92 HydrophobicContact CD1-CG 4.29Å
81	H	97.3	Very high	95.9	Very high	32 Å²	32	63.7 Å²	63.7	15%	0.148	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.1	127.8	173.9	-66.3	-157.2	0	0	0	107.1	I63 K64 F65 L90 K91	I63-H81 HydrophobicContact CG2-CB 4.12Å; K64-H81 WeakPolarHBondContact O-CA 3.5Å; F65-H81 AromaticContact CD1-CD2 3.61Å; F65-H81 AromaticContact CD1-CE1 3.61Å; F65-H81 AromaticContact CD1-CG 3.74Å; F65-H81 AromaticContact CD1-ND1 3.74Å; F65-H81 AromaticContact CD1-NE2 3.53Å; F65-H81 AromaticContact CE1-CE1 3.33Å; F65-H81 WeakPolarHBondContact CE1-CE1 3.39Å; F65-H81 AromaticContact CE1-CG 3.89Å; F65-H81 AromaticContact CE1-ND1 3.42Å; F65-H81 WeakPolarHBondContact CE1-ND1 3.49Å; F65-H81 AromaticContact CE1-NE2 3.76Å; H81-L90 HydrophobicContact CB-CB 4.46Å; H81-L90 PolarHBondContact O-N 3.07Å; H81-K91 HydrophobicContact CB-CG 3.86Å; H81-K91 VanDerWaalsContact CE1-CE 3.44Å; H81-K91 WeakPolarHBondContact CE1-CE 3.38Å; H81-K91 PolarHBondContact N-O 3.4Å; H81-K91 WeakPolarHBondContact ND1-CE 3.21Å; H81-K91 PolarHBondContact O-N 2.92Å
82	T	97.1	Very high	95.9	Very high	0 Å²	0	63.9 Å²	63.9	0%	0	35%	0.348	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.8	154.5	175.7	70.7	0	0	0	0	111.3	M33 F45 I63 K64 W66 L80 N87 E88 V89	M33-T82 HydrophobicContact CE-CG2 4.43Å; F45-T82 HydrophobicContact CD1-CG2 4.3Å; F45-T82 HydrophobicContact CE1-CG2 4.03Å; F45-T82 HydrophobicContact CZ-CG2 4.3Å; I63-T82 CarbonylContact C-O 3.51Å; I63-T82 VanDerWaalsContact CA-O 3.28Å; I63-T82 WeakPolarHBondContact CA-O 3.41Å; I63-T82 WeakPolarHBondContact CG2-O 3.48Å; K64-T82 PolarHBondContact N-O 2.84Å; K64-T82 PolarHBondContact O-N 3.31Å; W66-T82 VanDerWaalsContact NE1-CG2 3.27Å; W66-T82 PolarHBondContact NE1-OG1 2.95Å; L80-T82 HydrophobicContact CD2-CG2 4.09Å; L80-T82 HydrophobicContact CG-CG2 4.45Å; T82-N87 WeakPolarHBondContact CB-O 3.4Å; T82-E88 CarbonylContact C-O 3.5Å; T82-E88 WeakPolarHBondContact CA-O 3.28Å; T82-E88 WeakPolarHBondContact CB-O 3.32Å; T82-V89 HydrophobicContact CG2-CG2 4.29Å
83	S	96.3	Very high	96.1	Very high	19 Å²	19	58.9 Å²	58.9	13%	0.133	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	141.9	164.3	172.1	0	0	0	0	109.2	E62 A85 T86 N87 E88	E62-S83 CarbonylContact O-C 3.46Å; S83-A85 PolarHBondContact OG-N 3.33Å; S83-T86 WeakPolarHBondContact CB-OG1 3.45Å; S83-T86 PolarHBondContact OG-N 3.01Å; S83-T86 VanDerWaalsContact OG-N 3.08Å; S83-T86 PolarHBondContact OG-OG1 3.38Å; S83-N87 WeakPolarHBondContact O-CA 3.13Å; S83-N87 PolarHBondContact O-N 3.42Å; S83-E88 PolarHBondContact N-O 3.46Å
84	A	94.4	Very high	96.2	Very high	28 Å²	28	56.5 Å²	56.5	23%	0.231	32%	0.316	C	S	.	.	S	Bend	trans	-79.4	-27.3	173	0	0	0	0	0	111.7	F57 K61 E62 K64	F57-A84 HydrophobicContact CD1-CB 4.28Å; F57-A84 HydrophobicContact CE1-CB 3.84Å; K61-A84 WeakPolarHBondContact O-CB 3.29Å; E62-A84 WeakPolarHBondContact O-CB 3.44Å; E62-A84 PolarHBondContact O-N 3.46Å; K64-A84 HydrophobicContact CG-CB 4.3Å
85	A	93.8	Very high	96.2	Very high	96 Å²	96	57.7 Å²	57.7	79%	0.793	33%	0.328	S	S	*	.	S	Bend	trans	-90.6	-57.5	-173.8	0	0	0	0	0	112.5	S83 N87	S83-A85 PolarHBondContact OG-N 3.33Å; A85-N87 VanDerWaalsContact C-N 3.34Å
86	T	93.8	Very high	96.3	Very high	77 Å²	77	56.6 Å²	56.6	47%	0.472	31%	0.308	S	S	.	.	S	Bend	trans	-87.8	-15.3	178.9	60.8	0	0	0	0	111.7	S83 E88	S83-T86 WeakPolarHBondContact CB-OG1 3.45Å; S83-T86 PolarHBondContact OG-N 3.01Å; S83-T86 VanDerWaalsContact OG-N 3.08Å; S83-T86 PolarHBondContact OG-OG1 3.38Å; T86-E88 WeakPolarHBondContact CB-OE2 3.38Å; T86-E88 PolarHBondContact O-N 2.96Å; T86-E88 WeakPolarHBondContact OG1-CG 3.27Å; T86-E88 PolarHBondContact OG1-N 3.27Å; T86-E88 PolarHBondContact OG1-OE2 3.25Å
87	N	91.7	Very high	96.2	Very high	32 Å²	32	60.3 Å²	60.3	17%	0.171	33%	0.334	C	S	.	.			trans	75	-13.6	174.8	-131.5	15.5	0	0	0	107.9	M33 K64 T82 S83 A85	M33-N87 HydrophobicContact CB-CB 4.35Å; M33-N87 HydrophobicContact CE-CB 3.11Å; M33-N87 WeakPolarHBondContact CE-O 3.36Å; M33-N87 VanDerWaalsContact CE-OD1 3.31Å; M33-N87 WeakPolarHBondContact CE-OD1 3.3Å; M33-N87 HydrophobicContact CG-CB 4.38Å; M33-N87 WeakPolarHBondContact SD-CA 3.32Å; M33-N87 HydrophobicContact SD-CB 3.08Å; M33-N87 WeakPolarHBondContact SD-CB 3.22Å; K64-N87 PolarHBondContact NZ-OD1 3.48Å; T82-N87 WeakPolarHBondContact CB-O 3.4Å; S83-N87 WeakPolarHBondContact O-CA 3.13Å; S83-N87 PolarHBondContact O-N 3.42Å; A85-N87 VanDerWaalsContact C-N 3.34Å
88	E	94.3	Very high	96.2	Very high	121 Å²	121	56.4 Å²	56.4	57%	0.565	31%	0.313	S	S	*	.			trans	-47	143.3	179.2	-65.5	163	148.6	0	0	115.5	T82 S83 T86 L90	T82-E88 CarbonylContact C-O 3.5Å; T82-E88 WeakPolarHBondContact CA-O 3.28Å; T82-E88 WeakPolarHBondContact CB-O 3.32Å; S83-E88 PolarHBondContact N-O 3.46Å; T86-E88 WeakPolarHBondContact CB-OE2 3.38Å; T86-E88 PolarHBondContact O-N 2.96Å; T86-E88 WeakPolarHBondContact OG1-CG 3.27Å; T86-E88 PolarHBondContact OG1-N 3.27Å; T86-E88 PolarHBondContact OG1-OE2 3.25Å; E88-L90 PolarHBondContact O-N 3.34Å
89	V	95.8	Very high	96	Very high	53 Å²	53	63.1 Å²	63.1	32%	0.321	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	113	176.7	179.8	0	0	0	0	109.8	F45 L80 T82	F45-V89 HydrophobicContact CE1-CG2 3.71Å; F45-V89 HydrophobicContact CZ-CG2 4.02Å; L80-V89 HydrophobicContact CD1-CG1 3.66Å; L80-V89 HydrophobicContact CD2-CG1 4.3Å; L80-V89 HydrophobicContact CD2-CG2 4Å; L80-V89 HydrophobicContact CG-CG1 4.04Å; T82-V89 HydrophobicContact CG2-CG2 4.29Å
90	L	96.7	Very high	95.8	Very high	94 Å²	94	63.2 Å²	63.2	49%	0.492	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.8	-40.3	179.4	-58.5	177.4	0	0	0	111.6	I63 H81 E88	I63-L90 HydrophobicContact CD1-CD1 4.12Å; I63-L90 HydrophobicContact CG1-CD1 3.86Å; I63-L90 HydrophobicContact CG2-CD1 4.28Å; H81-L90 HydrophobicContact CB-CB 4.46Å; H81-L90 PolarHBondContact O-N 3.07Å; E88-L90 PolarHBondContact O-N 3.34Å
91	K	95.4	Very high	95.5	Very high	115 Å²	115	65.5 Å²	65.5	50%	0.5	37%	0.37	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-167.8	155.6	173.3	60	179.4	-178.2	-177.7	0	112.9	H81 V93	H81-K91 HydrophobicContact CB-CG 3.86Å; H81-K91 VanDerWaalsContact CE1-CE 3.44Å; H81-K91 WeakPolarHBondContact CE1-CE 3.38Å; H81-K91 PolarHBondContact N-O 3.4Å; H81-K91 WeakPolarHBondContact ND1-CE 3.21Å; H81-K91 PolarHBondContact O-N 2.92Å; K91-V93 HydrophobicContact CD-CG2 4.18Å; K91-V93 HydrophobicContact CG-CG2 4.32Å
92	Q	97	Very high	95.1	Very high	69 Å²	69	67.4 Å²	67.4	32%	0.322	39%	0.385	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-98	139.4	161.7	-172.8	177.2	-60.4	0	0	109.7	R79 L80 N94	R79-Q92 WeakPolarHBondContact O-CA 3.35Å; L80-Q92 HydrophobicContact CD1-CB 3.94Å; L80-Q92 HydrophobicContact CD1-CG 4.29Å; Q92-N94 PolarHBondContact NE2-O 3.25Å
93	V	97.2	Very high	94.7	Very high	46 Å²	46	69.3 Å²	69.3	28%	0.279	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.5	124.1	174.9	-174.5	0	0	0	0	108.8	R79 K91	R79-V93 HydrophobicContact CB-CB 4.11Å; R79-V93 PolarHBondContact N-O 2.92Å; R79-V93 PolarHBondContact O-N 3.28Å; K91-V93 HydrophobicContact CD-CG2 4.18Å; K91-V93 HydrophobicContact CG-CG2 4.32Å
94	N	97.5	Very high	94.4	Very high	84 Å²	84	72.7 Å²	72.7	45%	0.449	41%	0.408	S	S	.	.	S	Bend	trans	65	155.8	-169.7	-48	-40.5	0	0	0	113.9	I77 Q92	I77-N94 HydrophobicContact CD1-CB 4.22Å; I77-N94 HydrophobicContact CG1-CB 4.07Å; I77-N94 PolarHBondContact O-ND2 2.84Å; Q92-N94 PolarHBondContact NE2-O 3.25Å
95	D	96.6	Very high	94.1	Very high	133 Å²	133	72.7 Å²	72.7	71%	0.711	41%	0.405	S	S	*	.			trans	-86.7	160.8	175	-62.6	-37.1	0	0	0	111.9
96	H	97.5	Very high	93.8	Very high	30 Å²	30	71.3 Å²	71.3	14%	0.139	38%	0.382	C	S	.	.			trans	-76.2	139.8	171.1	-74.3	-89.9	0	0	0	110.3	Y50 Y52 C68 C76 H98	Y50-H96 HydrophobicContact CD1-CB 4.39Å; Y50-H96 AromaticContact CD1-CD2 3.9Å; Y50-H96 AromaticContact CD1-CE1 3.66Å; Y50-H96 AromaticContact CD1-CG 3.69Å; Y50-H96 AromaticContact CD1-ND1 3.55Å; Y50-H96 AromaticContact CD1-NE2 3.91Å; Y50-H96 AromaticContact CD2-CD2 3.66Å; Y50-H96 AromaticContact CD2-NE2 3.74Å; Y50-H96 HydrophobicContact CE1-CB 3.7Å; Y50-H96 AromaticContact CE1-CD2 3.89Å; Y50-H96 AromaticContact CE1-CG 3.49Å; Y50-H96 VanDerWaalsContact CE1-CG 3.49Å; Y50-H96 AromaticContact CE1-ND1 3.76Å; Y50-H96 AromaticContact CE2-CD2 3.7Å; Y50-H96 AromaticContact CG-CD2 3.75Å; Y50-H96 AromaticContact CG-CE1 3.65Å; Y50-H96 AromaticContact CG-ND1 3.99Å; Y50-H96 AromaticContact CG-NE2 3.54Å; Y50-H96 AromaticContact CZ-CD2 3.8Å; Y50-H96 AromaticContact CZ-CG 3.72Å; Y52-H96 AromaticContact CE1-CE1 3.96Å; Y52-H96 AromaticContact CE1-NE2 3.74Å; Y52-H96 AromaticContact CZ-CE1 3.93Å; Y52-H96 AromaticContact CZ-NE2 3.45Å; Y52-H96 PolarHBondContact OH-NE2 3.15Å; C68-H96 VanDerWaalsContact SG-CE1 3.58Å; C76-H96 PolarHBondContact SG-ND1 3.34Å; H96-H98 VanDerWaalsContact C-N 3.3Å; H96-H98 AromaticContact ND1-CE1 3.41Å; H96-H98 PolarHBondContact ND1-CE1 2.96Å; H96-H98 AromaticContact ND1-NE2 3.25Å; H96-H98 PolarHBondContact ND1-NE2 3.26Å
97	C	97	Very high	93.7	Very high	82 Å²	82	67.9 Å²	67.9	55%	0.554	36%	0.361	S	S	*	.	S	Bend	trans	-94.5	15.6	173.6	59.9	0	0	0	0	112.7	F74 C76	F74-C97 PolarHBondContact O-SG 3.46Å; C76-C97 VanDerWaalsContact CA-SG 3.57Å
98	H	96.6	Very high	93.5	Very high	19 Å²	19	68.3 Å²	68.3	9%	0.088	36%	0.364	C	S	.	.	S	Bend	trans	-149.8	158.2	-177.5	62.7	74.8	0	0	0	108.7	Y50 C68 F74 H96	Y50-H98 AromaticContact CD1-CE1 3.62Å; Y50-H98 AromaticContact CE1-CE1 3.71Å; Y50-H98 AromaticContact CE1-ND1 3.86Å; Y50-H98 PolarHBondContact OH-O 3.4Å; C68-H98 PolarHBondContact SG-NE2 2.92Å; F74-H98 HydrophobicContact CB-CB 4.41Å; F74-H98 HydrophobicContact CD1-CB 3.72Å; F74-H98 HydrophobicContact CD2-CB 4.33Å; F74-H98 HydrophobicContact CE1-CB 3.97Å; F74-H98 HydrophobicContact CG-CB 3.9Å; F74-H98 HydrophobicContact CZ-CB 4.37Å; H96-H98 VanDerWaalsContact C-N 3.3Å; H96-H98 AromaticContact ND1-CE1 3.41Å; H96-H98 PolarHBondContact ND1-CE1 2.96Å; H96-H98 AromaticContact ND1-NE2 3.25Å; H96-H98 PolarHBondContact ND1-NE2 3.26Å
99	D	95.6	Very high	93.1	Very high	141 Å²	141	64.4 Å²	64.4	75%	0.754	35%	0.352	S	S	*	.			trans	-67.6	157.4	179.3	-58.8	-44	0	0	0	112.4
100	S	93.1	Very high	92.7	Very high	57 Å²	57	63.2 Å²	63.2	40%	0.399	34%	0.342	S	S	.	.			trans	-68.2	157.1	169.6	66.5	0	0	0	0	110.4	Y50	Y50-S100 VanDerWaalsContact CE1-CA 3.42Å; Y50-S100 PolarHBondContact OH-N 3.31Å
101	D	90.4	Very high	92.4	Very high	48 Å²	48	59.6 Å²	59.6	26%	0.257	32%	0.324	S	S	.	.			trans	-135.2	71	-178.1	-167.8	-15.9	0	0	0	108.7	G49 K70 N103 K104 V105	G49-D101 CarbonylContact O-C 3.55Å; G49-D101 PolarHBondContact O-N 3.31Å; K70-D101 IonicContact NZ-OD2 2.63Å; K70-D101 PolarHBondContact NZ-OD2 3.41Å; D101-N103 PolarHBondContact O-N 3.15Å; D101-K104 HydrophobicContact CB-CB 4.02Å; D101-K104 PolarHBondContact O-N 3Å; D101-K104 VanDerWaalsContact O-N 3.1Å; D101-K104 WeakPolarHBondContact OD1-CB 3.31Å; D101-K104 PolarHBondContact OD1-N 3.39Å; D101-K104 VanDerWaalsContact OD1-N 3.12Å; D101-K104 WeakPolarHBondContact OD2-CB 3.44Å; D101-V105 PolarHBondContact O-N 3.43Å
102	P	89.2	Confident	92	Very high	71 Å²	71	54.6 Å²	54.6	46%	0.461	30%	0.304	S	S	.	.	H	α-helix	trans	-59.7	-37.2	-173.9	23.1	-33	0	0	0	111.7	K104 V105 E106	P102-K104 VanDerWaalsContact C-N 3.33Å; P102-K104 PolarHBondContact O-N 2.99Å; P102-V105 WeakPolarHBondContact O-CB 3.49Å; P102-V105 PolarHBondContact O-N 3.39Å; P102-V105 VanDerWaalsContact O-N 3.16Å; P102-E106 PolarHBondContact O-N 3.31Å
103	N	89.8	Confident	91.6	Very high	41 Å²	41	51.8 Å²	51.8	22%	0.219	29%	0.293	C	S	.	.	H	α-helix	trans	-62.3	-42.6	176.9	-67.1	14.2	0	0	0	111.1	D101 V105 E106 V107 S139 V140 Q143	D101-N103 PolarHBondContact O-N 3.15Å; N103-V105 VanDerWaalsContact C-N 3.32Å; N103-V105 PolarHBondContact O-N 3.13Å; N103-E106 PolarHBondContact O-N 2.99Å; N103-V107 VanDerWaalsContact O-CG2 3.31Å; N103-V107 WeakPolarHBondContact O-CG2 3.48Å; N103-V107 PolarHBondContact O-N 3.23Å; N103-S139 WeakPolarHBondContact ND2-CB 3.48Å; N103-S139 PolarHBondContact ND2-OG 2.78Å; N103-V140 HydrophobicContact CB-CG2 4.18Å; N103-Q143 PolarHBondContact ND2-NE2 3.46Å
104	K	88.5	Confident	91.3	Very high	90 Å²	90	49.6 Å²	49.6	39%	0.391	28%	0.279	S	S	.	.	H	α-helix	trans	-65.7	-36.1	176.4	-168	61.4	165.4	-170.5	0	112.4	D101 P102 E106 N108	D101-K104 HydrophobicContact CB-CB 4.02Å; D101-K104 PolarHBondContact O-N 3Å; D101-K104 VanDerWaalsContact O-N 3.1Å; D101-K104 WeakPolarHBondContact OD1-CB 3.31Å; D101-K104 PolarHBondContact OD1-N 3.39Å; D101-K104 VanDerWaalsContact OD1-N 3.12Å; D101-K104 WeakPolarHBondContact OD2-CB 3.44Å; P102-K104 VanDerWaalsContact C-N 3.33Å; P102-K104 PolarHBondContact O-N 2.99Å; K104-E106 VanDerWaalsContact C-N 3.34Å; K104-N108 PolarHBondContact O-N 3.16Å; K104-N108 VanDerWaalsContact O-N 3.11Å; K104-N108 PolarHBondContact O-ND2 3.16Å
105	V	88	Confident	90.9	Very high	28 Å²	28	48.6 Å²	48.6	17%	0.17	27%	0.271	C	S	.	.	H	α-helix	trans	-59.4	-49	172.7	168.8	0	0	0	0	110	F46 D101 P102 N103 N108 A109	F46-V105 HydrophobicContact CB-CG1 3.78Å; F46-V105 HydrophobicContact CD1-CB 4.16Å; F46-V105 HydrophobicContact CD1-CG1 3.64Å; F46-V105 HydrophobicContact CD1-CG2 4Å; F46-V105 HydrophobicContact CE1-CG1 4.44Å; F46-V105 HydrophobicContact CG-CG1 3.84Å; D101-V105 PolarHBondContact O-N 3.43Å; P102-V105 WeakPolarHBondContact O-CB 3.49Å; P102-V105 PolarHBondContact O-N 3.39Å; P102-V105 VanDerWaalsContact O-N 3.16Å; N103-V105 VanDerWaalsContact C-N 3.32Å; N103-V105 PolarHBondContact O-N 3.13Å; V105-N108 PolarHBondContact O-N 3.34Å; V105-A109 PolarHBondContact O-N 3.25Å
106	E	88.9	Confident	90.6	Very high	67 Å²	67	46.3 Å²	46.3	31%	0.313	25%	0.252	S	S	.	.	H	α-helix	trans	-63.8	-44.2	-179.5	-159.6	179.6	147.3	0	0	112.4	P102 N103 K104 N108 A109 Y110 V140	P102-E106 PolarHBondContact O-N 3.31Å; N103-E106 PolarHBondContact O-N 2.99Å; K104-E106 VanDerWaalsContact C-N 3.34Å; E106-N108 VanDerWaalsContact C-N 3.29Å; E106-N108 PolarHBondContact O-N 3.12Å; E106-A109 WeakPolarHBondContact O-CB 3.33Å; E106-A109 PolarHBondContact O-N 3.42Å; E106-Y110 HydrophobicContact CG-CD2 4.11Å; E106-Y110 HydrophobicContact CG-CE2 3.64Å; E106-Y110 WeakPolarHBondContact O-CD2 3.23Å; E106-Y110 PolarHBondContact O-N 3.1Å; E106-Y110 WeakPolarHBondContact OE1-CE2 3.5Å; E106-Y110 PolarHBondContact OE1-OH 3.45Å; E106-V140 HydrophobicContact CB-CG1 4.02Å; E106-V140 HydrophobicContact CB-CG2 4.26Å; E106-V140 HydrophobicContact CG-CG1 4.05Å; E106-V140 HydrophobicContact CG-CG2 4.4Å; E106-V140 WeakPolarHBondContact OE2-CG2 3.46Å
107	V	89.9	Confident	90.3	Very high	5 Å²	5	47.5 Å²	47.5	3%	0.03	26%	0.256	C	S	.	.	H	α-helix	trans	-54.1	-45.9	172.6	168.2	0	0	0	0	111.3	N103 A109 Y110 C111 V140 Q143 L144	N103-V107 VanDerWaalsContact O-CG2 3.31Å; N103-V107 WeakPolarHBondContact O-CG2 3.48Å; N103-V107 PolarHBondContact O-N 3.23Å; V107-A109 VanDerWaalsContact C-N 3.33Å; V107-Y110 PolarHBondContact O-N 3.32Å; V107-C111 PolarHBondContact O-N 3.11Å; V107-C111 PolarHBondContact O-SG 2.94Å; V107-C111 VanDerWaalsContact O-SG 3.33Å; V107-V140 HydrophobicContact CG2-CG1 3.83Å; V107-Q143 HydrophobicContact CG2-CB 3.65Å; V107-L144 HydrophobicContact CB-CD2 4.39Å; V107-L144 HydrophobicContact CG1-CD2 4.24Å; V107-L144 HydrophobicContact CG2-CD2 4.15Å
108	N	87.7	Confident	90	Very high	41 Å²	41	43.6 Å²	43.6	22%	0.219	23%	0.23	C	C	.	.	H	α-helix	trans	-68.8	-34.3	179.4	-79	-85.2	0	0	0	112.1	F46 K104 V105 E106 C111 A112	F46-N108 HydrophobicContact CE1-CB 3.73Å; F46-N108 HydrophobicContact CZ-CB 3.55Å; K104-N108 PolarHBondContact O-N 3.16Å; K104-N108 VanDerWaalsContact O-N 3.11Å; K104-N108 PolarHBondContact O-ND2 3.16Å; V105-N108 PolarHBondContact O-N 3.34Å; E106-N108 VanDerWaalsContact C-N 3.29Å; E106-N108 PolarHBondContact O-N 3.12Å; N108-C111 PolarHBondContact O-N 2.88Å; N108-A112 WeakPolarHBondContact O-CB 3.44Å; N108-A112 PolarHBondContact O-N 2.92Å
109	A	85.8	Confident	89.7	Confident	38 Å²	38	46.2 Å²	46.2	31%	0.314	24%	0.242	S	C	.	.	H	α-helix	trans	-61.6	-46.8	174.2	0	0	0	0	0	111	V105 E106 V107 C111 A112 A113	V105-A109 PolarHBondContact O-N 3.25Å; E106-A109 WeakPolarHBondContact O-CB 3.33Å; E106-A109 PolarHBondContact O-N 3.42Å; V107-A109 VanDerWaalsContact C-N 3.33Å; A109-C111 PolarHBondContact O-N 3.27Å; A109-A112 WeakPolarHBondContact O-CB 3.36Å; A109-A112 PolarHBondContact O-N 3.06Å; A109-A112 VanDerWaalsContact O-N 3.16Å; A109-A113 WeakPolarHBondContact O-CB 3.48Å; A109-A113 PolarHBondContact O-N 2.77Å
110	Y	89	Confident	89.4	Confident	29 Å²	29	46 Å²	46	11%	0.114	24%	0.236	C	C	.	.	H	α-helix	trans	-59.9	-45.5	173.7	-74.4	-61.6	0	0	0	112.5	E106 V107 A112 A113 I114 E132 T136 V140 L144	E106-Y110 HydrophobicContact CG-CD2 4.11Å; E106-Y110 HydrophobicContact CG-CE2 3.64Å; E106-Y110 WeakPolarHBondContact O-CD2 3.23Å; E106-Y110 PolarHBondContact O-N 3.1Å; E106-Y110 WeakPolarHBondContact OE1-CE2 3.5Å; E106-Y110 PolarHBondContact OE1-OH 3.45Å; V107-Y110 PolarHBondContact O-N 3.32Å; Y110-A112 VanDerWaalsContact C-N 3.27Å; Y110-A112 PolarHBondContact O-N 3.24Å; Y110-A113 PolarHBondContact O-N 2.95Å; Y110-I114 WeakPolarHBondContact O-CG1 3.04Å; Y110-I114 PolarHBondContact O-N 3.19Å; Y110-E132 WeakPolarHBondContact CD1-O 3.49Å; Y110-E132 WeakPolarHBondContact CE1-O 2.61Å; Y110-T136 HydrophobicContact CD2-CG2 4.24Å; Y110-T136 HydrophobicContact CE2-CG2 3.51Å; Y110-T136 VanDerWaalsContact CZ-OG1 3.26Å; Y110-T136 PolarHBondContact OH-OG1 3.23Å; Y110-V140 HydrophobicContact CD2-CG1 4.2Å; Y110-V140 HydrophobicContact CE2-CG1 4.01Å; Y110-L144 HydrophobicContact CD2-CD2 4.08Å; Y110-L144 HydrophobicContact CG-CD2 4.39Å
111	C	89.6	Confident	89.4	Confident	18 Å²	18	45.1 Å²	45.1	12%	0.122	23%	0.228	C	C	.	.	H	α-helix	trans	-61.8	-35.8	176.3	-69.7	0	0	0	0	112.7	V107 N108 A109 K115 M150	V107-C111 PolarHBondContact O-N 3.11Å; V107-C111 PolarHBondContact O-SG 2.94Å; V107-C111 VanDerWaalsContact O-SG 3.33Å; N108-C111 PolarHBondContact O-N 2.88Å; A109-C111 PolarHBondContact O-N 3.27Å; C111-K115 VanDerWaalsContact O-CG 3.31Å; C111-K115 WeakPolarHBondContact O-CG 3.06Å; C111-K115 PolarHBondContact O-N 3.16Å; C111-K115 VanDerWaalsContact O-N 3.16Å; C111-M150 HydrophobicContact CB-CE 4.46Å
112	A	86.7	Confident	89.5	Confident	10 Å²	10	50.8 Å²	50.8	8%	0.083	26%	0.258	C	S	.	.	H	α-helix	trans	-69.6	-42.2	176.1	0	0	0	0	0	111.5	T34 N108 A109 Y110 K115 R116	T34-A112 HydrophobicContact CG2-CB 3.89Å; N108-A112 WeakPolarHBondContact O-CB 3.44Å; N108-A112 PolarHBondContact O-N 2.92Å; A109-A112 WeakPolarHBondContact O-CB 3.36Å; A109-A112 PolarHBondContact O-N 3.06Å; A109-A112 VanDerWaalsContact O-N 3.16Å; Y110-A112 VanDerWaalsContact C-N 3.27Å; Y110-A112 PolarHBondContact O-N 3.24Å; A112-K115 PolarHBondContact O-N 2.93Å; A112-R116 WeakPolarHBondContact O-CB 3.45Å; A112-R116 PolarHBondContact O-N 3.36Å
113	A	89.1	Confident	89.8	Confident	10 Å²	10	50.6 Å²	50.6	8%	0.083	25%	0.251	C	S	.	.	H	α-helix	trans	-61.2	-45.8	175.7	0	0	0	0	0	111.7	A109 Y110 K115 R116 R117 E132	A109-A113 WeakPolarHBondContact O-CB 3.48Å; A109-A113 PolarHBondContact O-N 2.77Å; Y110-A113 PolarHBondContact O-N 2.95Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 3.37Å; A113-R116 PolarHBondContact O-N 3.42Å; A113-R117 WeakPolarHBondContact O-CB 3.11Å; A113-R117 PolarHBondContact O-N 3.45Å; A113-E132 VanDerWaalsContact CB-OE2 3.31Å; A113-E132 WeakPolarHBondContact CB-OE2 3.01Å
114	I	90.5	Very high	90.1	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	26%	0.259	C	S	.	.	H	α-helix	trans	-58.8	-44.5	174.8	-70.3	168.2	0	0	0	111.4	Y110 A118 I128 E132 Y133 M150 I154	Y110-I114 WeakPolarHBondContact O-CG1 3.04Å; Y110-I114 PolarHBondContact O-N 3.19Å; I114-A118 VanDerWaalsContact O-CB 3.28Å; I114-A118 WeakPolarHBondContact O-CB 3.27Å; I114-A118 PolarHBondContact O-N 3.29Å; I114-I128 HydrophobicContact CB-CG2 4.3Å; I114-I128 HydrophobicContact CG1-CG2 4.23Å; I114-I128 HydrophobicContact CG2-CG2 3.91Å; I114-E132 HydrophobicContact CD1-CB 4.19Å; I114-E132 HydrophobicContact CG1-CB 3.84Å; I114-E132 HydrophobicContact CG1-CG 3.71Å; I114-Y133 HydrophobicContact CD1-CD1 4.26Å; I114-Y133 HydrophobicContact CD1-CE1 3.53Å; I114-M150 HydrophobicContact CB-CE 3.78Å; I114-M150 HydrophobicContact CD1-CE 3.78Å; I114-M150 HydrophobicContact CD1-CG 4.4Å; I114-M150 HydrophobicContact CG1-CE 4.37Å; I114-M150 HydrophobicContact CG2-CE 3.46Å; I114-M150 VanDerWaalsContact CG2-CE 3.46Å; I114-I154 HydrophobicContact CG2-CD1 3.76Å; I114-I154 HydrophobicContact CG2-CG1 3.69Å
115	K	89.6	Confident	90.5	Very high	62 Å²	62	48.7 Å²	48.7	27%	0.27	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-47.3	177.2	-75.3	170.6	-178.6	176.3	0	111.4	V37 C111 A112 A113 A118 E119 V153	V37-K115 PolarHBondContact O-NZ 2.88Å; C111-K115 VanDerWaalsContact O-CG 3.31Å; C111-K115 WeakPolarHBondContact O-CG 3.06Å; C111-K115 PolarHBondContact O-N 3.16Å; C111-K115 VanDerWaalsContact O-N 3.16Å; A112-K115 PolarHBondContact O-N 2.93Å; A113-K115 VanDerWaalsContact C-N 3.34Å; A113-K115 PolarHBondContact O-N 3.37Å; K115-A118 WeakPolarHBondContact O-CB 3.47Å; K115-A118 PolarHBondContact O-N 3.43Å; K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.16Å; K115-E119 VanDerWaalsContact O-N 3.15Å; K115-V153 HydrophobicContact CD-CG1 4.34Å; K115-V153 HydrophobicContact CG-CG1 3.63Å
116	R	89.6	Confident	90.9	Very high	85 Å²	85	50.5 Å²	50.5	32%	0.321	26%	0.26	S	S	.	.	H	α-helix	trans	-59.8	-49.4	178	-179.2	-178	64.6	-133.6	-3.2	111.2	A112 A113 A118 E119 E120	A112-R116 WeakPolarHBondContact O-CB 3.45Å; A112-R116 PolarHBondContact O-N 3.36Å; A113-R116 PolarHBondContact O-N 3.42Å; R116-A118 VanDerWaalsContact C-N 3.27Å; R116-A118 PolarHBondContact O-N 2.87Å; R116-E119 WeakPolarHBondContact O-CA 3.43Å; R116-E119 VanDerWaalsContact O-CB 3.29Å; R116-E119 WeakPolarHBondContact O-CB 3.47Å; R116-E119 PolarHBondContact O-N 2.91Å; R116-E120 WeakPolarHBondContact CD-OE1 3.48Å; R116-E120 VanDerWaalsContact CG-CD 3.48Å; R116-E120 HydrophobicContact CG-CG 4.45Å; R116-E120 WeakPolarHBondContact CG-OE1 3.34Å; R116-E120 WeakPolarHBondContact O-CG 3.19Å; R116-E120 PolarHBondContact O-N 3.45Å
117	R	91.5	Very high	91.2	Very high	55 Å²	55	50.2 Å²	50.2	21%	0.208	26%	0.263	C	S	.	.	H	α-helix	trans	-62.8	-34	177.8	-169.9	166.3	178.8	174.5	-0.6	112.5	A113 E119 E120 T121 E123 I128 E132	A113-R117 WeakPolarHBondContact O-CB 3.11Å; A113-R117 PolarHBondContact O-N 3.45Å; R117-E119 PolarHBondContact O-N 2.87Å; R117-E120 PolarHBondContact O-N 3.18Å; R117-T121 HydrophobicContact CG-CG2 3.98Å; R117-T121 WeakPolarHBondContact O-CB 3.45Å; R117-T121 WeakPolarHBondContact O-CG2 3.19Å; R117-T121 PolarHBondContact O-N 3.26Å; R117-T121 PolarHBondContact O-OG1 3.38Å; R117-E123 IonicContact CZ-OE1 3.03Å; R117-E123 IonicContact CZ-OE2 3.61Å; R117-E123 VanDerWaalsContact CZ-OE2 3.3Å; R117-E123 IonicContact NE-OE1 3.3Å; R117-E123 IonicContact NE-OE2 2.87Å; R117-E123 PolarHBondContact NE-OE2 3Å; R117-E123 VanDerWaalsContact NH2-CD 3.29Å; R117-E123 IonicContact NH2-OE1 3.46Å; R117-E123 PolarHBondContact NH2-OE1 3.21Å; R117-E123 IonicContact NH2-OE2 3.23Å; R117-E123 PolarHBondContact NH2-OE2 3.18Å; R117-I128 HydrophobicContact CB-CG2 4.21Å; R117-I128 HydrophobicContact CG-CD1 4.29Å; R117-I128 HydrophobicContact CG-CG1 4.13Å; R117-I128 HydrophobicContact CG-CG2 4.24Å; R117-E132 IonicContact NH1-OE1 2.73Å; R117-E132 PolarHBondContact NH1-OE1 3.01Å
118	A	91.1	Very high	91.4	Very high	1 Å²	1	50 Å²	50	1%	0.008	26%	0.261	C	S	.	.	H	α-helix	trans	-65.9	-26.6	173.3	0	0	0	0	0	113.5	I114 K115 R116 I154 R158	I114-A118 VanDerWaalsContact O-CB 3.28Å; I114-A118 WeakPolarHBondContact O-CB 3.27Å; I114-A118 PolarHBondContact O-N 3.29Å; K115-A118 WeakPolarHBondContact O-CB 3.47Å; K115-A118 PolarHBondContact O-N 3.43Å; R116-A118 VanDerWaalsContact C-N 3.27Å; R116-A118 PolarHBondContact O-N 2.87Å; A118-I154 HydrophobicContact CB-CB 4.15Å; A118-I154 HydrophobicContact CB-CG1 4Å; A118-I154 HydrophobicContact CB-CG2 3.81Å; A118-R158 WeakPolarHBondContact O-CG 3.24Å; A118-R158 PolarHBondContact O-NE 3.08Å
119	E	89.7	Confident	91.8	Very high	73 Å²	73	48 Å²	48	34%	0.341	25%	0.251	S	S	.	.	H	α-helix	trans	-79	-42.1	174.5	-66.3	166.1	-136.9	0	0	111.4	K115 R116 R117 K157 M161	K115-E119 WeakPolarHBondContact O-CG 3.45Å; K115-E119 PolarHBondContact O-N 3.16Å; K115-E119 VanDerWaalsContact O-N 3.15Å; R116-E119 WeakPolarHBondContact O-CA 3.43Å; R116-E119 VanDerWaalsContact O-CB 3.29Å; R116-E119 WeakPolarHBondContact O-CB 3.47Å; R116-E119 PolarHBondContact O-N 2.91Å; R117-E119 PolarHBondContact O-N 2.87Å; E119-K157 HydrophobicContact CG-CD 3.86Å; E119-K157 VanDerWaalsContact CG-CE 3.46Å; E119-K157 HydrophobicContact CG-CG 3.42Å; E119-K157 VanDerWaalsContact CG-CG 3.42Å; E119-K157 VanDerWaalsContact OE1-CD 3.23Å; E119-K157 WeakPolarHBondContact OE1-CD 3.48Å; E119-K157 WeakPolarHBondContact OE1-CE 3.19Å; E119-K157 IonicContact OE1-NZ 2.62Å; E119-K157 PolarHBondContact OE1-NZ 2.63Å; E119-K157 WeakPolarHBondContact OE2-CE 3.42Å; E119-K157 IonicContact OE2-NZ 2.79Å; E119-K157 PolarHBondContact OE2-NZ 3.35Å; E119-M161 VanDerWaalsContact CA-SD 3.55Å; E119-M161 HydrophobicContact CB-CE 4.16Å; E119-M161 HydrophobicContact CB-SD 3.78Å; E119-M161 HydrophobicContact CG-SD 3.73Å; E119-M161 WeakPolarHBondContact O-CE 3.42Å
120	E	90.4	Very high	92.2	Very high	138 Å²	138	50.5 Å²	50.5	65%	0.645	26%	0.259	S	S	*	.	H	α-helix	trans	-84.3	-16.5	-172.1	-67.2	165.7	176.1	0	0	113.3	R116 R117	R116-E120 WeakPolarHBondContact CD-OE1 3.48Å; R116-E120 VanDerWaalsContact CG-CD 3.48Å; R116-E120 HydrophobicContact CG-CG 4.45Å; R116-E120 WeakPolarHBondContact CG-OE1 3.34Å; R116-E120 WeakPolarHBondContact O-CG 3.19Å; R116-E120 PolarHBondContact O-N 3.45Å; R117-E120 PolarHBondContact O-N 3.18Å
121	T	93.3	Very high	92.3	Very high	37 Å²	37	53.2 Å²	53.2	23%	0.227	27%	0.273	C	S	.	.			trans	-136.5	159.4	-169.9	78.1	0	0	0	0	113.8	R117 E123 R158	R117-T121 HydrophobicContact CG-CG2 3.98Å; R117-T121 WeakPolarHBondContact O-CB 3.45Å; R117-T121 WeakPolarHBondContact O-CG2 3.19Å; R117-T121 PolarHBondContact O-N 3.26Å; R117-T121 PolarHBondContact O-OG1 3.38Å; T121-E123 PolarHBondContact OG1-OE2 2.86Å; T121-R158 PolarHBondContact O-NE 3.31Å; T121-R158 PolarHBondContact O-NH2 3.45Å
122	L	92.4	Very high	92.4	Very high	168 Å²	168	54.4 Å²	54.4	88%	0.88	28%	0.276	S	S	*	.			trans	-101.9	11.2	171	-62.9	179.4	0	0	0	113.4
123	E	95	Very high	92.6	Very high	66 Å²	66	54.3 Å²	54.3	31%	0.308	27%	0.274	S	S	.	.			trans	-55.4	153.5	178.4	-67.1	175.3	106.6	0	0	111.7	R117 T121 V127 I128 R158	R117-E123 IonicContact CZ-OE1 3.03Å; R117-E123 IonicContact CZ-OE2 3.61Å; R117-E123 VanDerWaalsContact CZ-OE2 3.3Å; R117-E123 IonicContact NE-OE1 3.3Å; R117-E123 IonicContact NE-OE2 2.87Å; R117-E123 PolarHBondContact NE-OE2 3Å; R117-E123 VanDerWaalsContact NH2-CD 3.29Å; R117-E123 IonicContact NH2-OE1 3.46Å; R117-E123 PolarHBondContact NH2-OE1 3.21Å; R117-E123 IonicContact NH2-OE2 3.23Å; R117-E123 PolarHBondContact NH2-OE2 3.18Å; T121-E123 PolarHBondContact OG1-OE2 2.86Å; E123-V127 HydrophobicContact CB-CG1 4.46Å; E123-I128 HydrophobicContact CB-CD1 4.19Å; E123-I128 HydrophobicContact CB-CG1 3.89Å; E123-R158 VanDerWaalsContact O-CZ 3.25Å; E123-R158 PolarHBondContact O-NH1 2.76Å; E123-R158 PolarHBondContact O-NH2 3.49Å
124	S	96.1	Very high	92.6	Very high	56 Å²	56	59.7 Å²	59.7	39%	0.392	30%	0.295	S	S	.	.			trans	-63.7	147.3	177.5	72.7	0	0	0	0	110.3	D126 V127 I128	S124-D126 PolarHBondContact O-N 2.91Å; S124-V127 PolarHBondContact O-N 3.3Å; S124-V127 VanDerWaalsContact O-N 3.14Å; S124-V127 VanDerWaalsContact OG-CG2 3.25Å; S124-V127 WeakPolarHBondContact OG-CG2 3.39Å; S124-V127 PolarHBondContact OG-N 2.85Å; S124-I128 PolarHBondContact O-N 3.49Å; S124-I128 VanDerWaalsContact O-N 3.15Å
125	P	96	Very high	92.2	Very high	36 Å²	36	63.8 Å²	63.8	23%	0.234	32%	0.317	C	S	.	.	H	α-helix	trans	-53.4	-38.9	176.9	-29.5	37.1	0	0	0	113.5	I128 I129 K151 I154	P125-I128 PolarHBondContact O-N 3.47Å; P125-I129 WeakPolarHBondContact O-CB 3.49Å; P125-I129 WeakPolarHBondContact O-CD1 3.34Å; P125-I129 WeakPolarHBondContact O-CG1 3.47Å; P125-I129 PolarHBondContact O-N 2.65Å; P125-K151 HydrophobicContact CB-CB 4.41Å; P125-K151 HydrophobicContact CB-CG 3.82Å; P125-I154 HydrophobicContact CB-CD1 3.92Å; P125-I154 HydrophobicContact CB-CG2 4.4Å; P125-I154 HydrophobicContact CG-CG2 4.14Å
126	D	96.8	Very high	92.1	Very high	66 Å²	66	61.6 Å²	61.6	35%	0.353	31%	0.309	S	S	.	.	H	α-helix	trans	-61.6	-45.2	177.8	-60.4	-83.9	0	0	0	111.8	S124 I128 I129 D130 K151	S124-D126 PolarHBondContact O-N 2.91Å; D126-I128 PolarHBondContact O-N 2.96Å; D126-I129 PolarHBondContact O-N 2.87Å; D126-D130 VanDerWaalsContact O-CB 3.3Å; D126-D130 WeakPolarHBondContact O-CB 3.34Å; D126-D130 PolarHBondContact O-N 3.36Å; D126-K151 WeakPolarHBondContact OD1-CE 3.36Å; D126-K151 IonicContact OD1-NZ 3.52Å; D126-K151 PolarHBondContact OD1-NZ 3.35Å; D126-K151 IonicContact OD2-NZ 2.7Å
127	V	96.1	Very high	92.1	Very high	61 Å²	61	61.4 Å²	61.4	37%	0.37	31%	0.314	S	S	.	.	H	α-helix	trans	-61.8	-44.8	177.5	169.6	0	0	0	0	111.4	E123 S124 I129 E131	E123-V127 HydrophobicContact CB-CG1 4.46Å; S124-V127 PolarHBondContact O-N 3.3Å; S124-V127 VanDerWaalsContact O-N 3.14Å; S124-V127 VanDerWaalsContact OG-CG2 3.25Å; S124-V127 WeakPolarHBondContact OG-CG2 3.39Å; S124-V127 PolarHBondContact OG-N 2.85Å; V127-I129 PolarHBondContact O-N 3.19Å; V127-E131 WeakPolarHBondContact O-CB 3.45Å; V127-E131 PolarHBondContact O-N 3.37Å; V127-E131 VanDerWaalsContact O-N 3.09Å
128	I	94.4	Very high	92.1	Very high	0 Å²	0	63.6 Å²	63.6	0%	0	34%	0.336	C	S	.	.	H	α-helix	trans	-61.1	-46.7	178.3	-65.2	175.4	0	0	0	110.2	I114 R117 E123 S124 P125 D126 E132 I154	I114-I128 HydrophobicContact CB-CG2 4.3Å; I114-I128 HydrophobicContact CG1-CG2 4.23Å; I114-I128 HydrophobicContact CG2-CG2 3.91Å; R117-I128 HydrophobicContact CB-CG2 4.21Å; R117-I128 HydrophobicContact CG-CD1 4.29Å; R117-I128 HydrophobicContact CG-CG1 4.13Å; R117-I128 HydrophobicContact CG-CG2 4.24Å; E123-I128 HydrophobicContact CB-CD1 4.19Å; E123-I128 HydrophobicContact CB-CG1 3.89Å; S124-I128 PolarHBondContact O-N 3.49Å; S124-I128 VanDerWaalsContact O-N 3.15Å; P125-I128 PolarHBondContact O-N 3.47Å; D126-I128 PolarHBondContact O-N 2.96Å; I128-E132 WeakPolarHBondContact O-CB 3.04Å; I128-E132 WeakPolarHBondContact O-CG 3.31Å; I128-E132 PolarHBondContact O-N 3.37Å; I128-I154 HydrophobicContact CB-CD1 4.17Å; I128-I154 HydrophobicContact CD1-CD1 4.48Å; I128-I154 HydrophobicContact CG2-CD1 4.08Å
129	I	94.4	Very high	92.1	Very high	0 Å²	0	66 Å²	66	0%	0	35%	0.353	C	S	.	.	H	α-helix	trans	-68.7	-46.9	-176.7	-66.5	162.4	0	0	0	110.9	P125 D126 V127 E132 Y133 N147 M150 K151 I154	P125-I129 WeakPolarHBondContact O-CB 3.49Å; P125-I129 WeakPolarHBondContact O-CD1 3.34Å; P125-I129 WeakPolarHBondContact O-CG1 3.47Å; P125-I129 PolarHBondContact O-N 2.65Å; D126-I129 PolarHBondContact O-N 2.87Å; V127-I129 PolarHBondContact O-N 3.19Å; I129-E132 PolarHBondContact O-N 2.89Å; I129-Y133 HydrophobicContact CG2-CD2 3.63Å; I129-Y133 HydrophobicContact CG2-CE2 3.72Å; I129-Y133 HydrophobicContact CG2-CG 4.29Å; I129-Y133 VanDerWaalsContact O-CB 3.31Å; I129-Y133 WeakPolarHBondContact O-CB 3.3Å; I129-Y133 PolarHBondContact O-N 3.45Å; I129-N147 HydrophobicContact CD1-CB 4.48Å; I129-N147 HydrophobicContact CG2-CB 4.37Å; I129-N147 WeakPolarHBondContact CG2-OD1 3.34Å; I129-M150 HydrophobicContact CD1-CB 3.68Å; I129-M150 HydrophobicContact CG1-CB 3.9Å; I129-K151 HydrophobicContact CD1-CG 3.74Å; I129-I154 HydrophobicContact CD1-CD1 4.13Å; I129-I154 HydrophobicContact CG1-CD1 3.98Å
130	D	94.2	Very high	92.2	Very high	90 Å²	90	62.6 Å²	62.6	48%	0.481	34%	0.337	S	S	.	.	H	α-helix	trans	-65.4	-42.8	-175.4	-75.5	-12.7	0	0	0	111.7	D126 Y133 K134	D126-D130 VanDerWaalsContact O-CB 3.3Å; D126-D130 WeakPolarHBondContact O-CB 3.34Å; D126-D130 PolarHBondContact O-N 3.36Å; D130-Y133 PolarHBondContact O-N 2.78Å; D130-K134 WeakPolarHBondContact O-CA 3.31Å; D130-K134 VanDerWaalsContact O-CB 3.3Å; D130-K134 WeakPolarHBondContact O-CB 3.48Å; D130-K134 PolarHBondContact O-N 2.79Å
131	E	93	Very high	92.2	Very high	86 Å²	86	62.4 Å²	62.4	40%	0.402	33%	0.33	S	S	.	.	H	α-helix	trans	-67.4	-40.6	178.3	-75	-61.6	138.3	0	0	112.3	V127 Y133 K134	V127-E131 WeakPolarHBondContact O-CB 3.45Å; V127-E131 PolarHBondContact O-N 3.37Å; V127-E131 VanDerWaalsContact O-N 3.09Å; E131-Y133 VanDerWaalsContact C-N 3.35Å; E131-Y133 PolarHBondContact O-N 3.27Å; E131-K134 WeakPolarHBondContact O-CB 3.08Å; E131-K134 IonicContact OE1-NZ 2.79Å; E131-K134 PolarHBondContact OE1-NZ 2.87Å; E131-K134 IonicContact OE2-NZ 3.3Å; E131-K134 PolarHBondContact OE2-NZ 2.62Å
132	E	90.5	Very high	92.2	Very high	43 Å²	43	65.2 Å²	65.2	20%	0.201	35%	0.351	C	S	.	.	H	α-helix	trans	-67.6	-35.7	177	-65	-65.4	146.6	0	0	111.6	Y110 A113 I114 R117 I128 I129	Y110-E132 WeakPolarHBondContact CD1-O 3.49Å; Y110-E132 WeakPolarHBondContact CE1-O 2.61Å; A113-E132 VanDerWaalsContact CB-OE2 3.31Å; A113-E132 WeakPolarHBondContact CB-OE2 3.01Å; I114-E132 HydrophobicContact CD1-CB 4.19Å; I114-E132 HydrophobicContact CG1-CB 3.84Å; I114-E132 HydrophobicContact CG1-CG 3.71Å; R117-E132 IonicContact NH1-OE1 2.73Å; R117-E132 PolarHBondContact NH1-OE1 3.01Å; I128-E132 WeakPolarHBondContact O-CB 3.04Å; I128-E132 WeakPolarHBondContact O-CG 3.31Å; I128-E132 PolarHBondContact O-N 3.37Å; I129-E132 PolarHBondContact O-N 2.89Å
133	Y	91.7	Very high	92.3	Very high	8 Å²	8	60.7 Å²	60.7	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-88.6	-6.6	-178.7	-69.3	-1.9	0	0	0	114.5	I114 I129 D130 E131 N135 T136 R141 L144 M150	I114-Y133 HydrophobicContact CD1-CD1 4.26Å; I114-Y133 HydrophobicContact CD1-CE1 3.53Å; I129-Y133 HydrophobicContact CG2-CD2 3.63Å; I129-Y133 HydrophobicContact CG2-CE2 3.72Å; I129-Y133 HydrophobicContact CG2-CG 4.29Å; I129-Y133 VanDerWaalsContact O-CB 3.31Å; I129-Y133 WeakPolarHBondContact O-CB 3.3Å; I129-Y133 PolarHBondContact O-N 3.45Å; D130-Y133 PolarHBondContact O-N 2.78Å; E131-Y133 VanDerWaalsContact C-N 3.35Å; E131-Y133 PolarHBondContact O-N 3.27Å; Y133-N135 VanDerWaalsContact C-N 3.3Å; Y133-N135 PolarHBondContact O-N 3.25Å; Y133-T136 WeakPolarHBondContact CA-OG1 3.08Å; Y133-T136 PolarHBondContact O-N 3.41Å; Y133-T136 PolarHBondContact O-OG1 3.4Å; Y133-R141 PolarHBondContact O-NH1 2.87Å; Y133-L144 HydrophobicContact CD1-CD1 3.51Å; Y133-L144 HydrophobicContact CD1-CD2 4.28Å; Y133-L144 HydrophobicContact CD1-CG 4.48Å; Y133-L144 HydrophobicContact CD2-CD1 3.82Å; Y133-L144 HydrophobicContact CE1-CB 4.44Å; Y133-L144 HydrophobicContact CE1-CD1 3.56Å; Y133-L144 HydrophobicContact CE1-CD2 3.63Å; Y133-L144 HydrophobicContact CE1-CG 4.08Å; Y133-L144 HydrophobicContact CE2-CB 4.13Å; Y133-L144 HydrophobicContact CE2-CD1 3.86Å; Y133-L144 HydrophobicContact CE2-CG 4.49Å; Y133-L144 HydrophobicContact CG-CD1 3.64Å; Y133-M150 WeakPolarHBondContact OH-CG 3.1Å
134	K	88.4	Confident	92.1	Very high	123 Å²	123	58.6 Å²	58.6	54%	0.535	32%	0.317	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.8	-37.6	-170.1	-166.9	171.4	-172.3	167	0	114.2	D130 E131	D130-K134 WeakPolarHBondContact O-CA 3.31Å; D130-K134 VanDerWaalsContact O-CB 3.3Å; D130-K134 WeakPolarHBondContact O-CB 3.48Å; D130-K134 PolarHBondContact O-N 2.79Å; E131-K134 WeakPolarHBondContact O-CB 3.08Å; E131-K134 IonicContact OE1-NZ 2.79Å; E131-K134 PolarHBondContact OE1-NZ 2.87Å; E131-K134 IonicContact OE2-NZ 3.3Å; E131-K134 PolarHBondContact OE2-NZ 2.62Å
135	N	81.1	Confident	92	Very high	86 Å²	86	58.1 Å²	58.1	46%	0.46	31%	0.312	S	S	.	.	T	Hydrogen-bonded Turn	trans	-122.1	23.2	-172.1	-60.2	-68.7	0	0	0	112.3	F21 Y133	F21-N135 HydrophobicContact CE1-CB 3.66Å; F21-N135 VanDerWaalsContact CE1-CG 3.43Å; F21-N135 WeakPolarHBondContact CE1-ND2 3.36Å; F21-N135 HydrophobicContact CZ-CB 4.33Å; F21-N135 WeakPolarHBondContact CZ-ND2 3.47Å; Y133-N135 VanDerWaalsContact C-N 3.3Å; Y133-N135 PolarHBondContact O-N 3.25Å
136	T	87.4	Confident	91.9	Very high	16 Å²	16	60 Å²	60	10%	0.098	33%	0.326	C	S	.	.			trans	-74	136.9	176.6	-51.8	0	0	0	0	110.4	Y110 Y133 V140 R141 L144	Y110-T136 HydrophobicContact CD2-CG2 4.24Å; Y110-T136 HydrophobicContact CE2-CG2 3.51Å; Y110-T136 VanDerWaalsContact CZ-OG1 3.26Å; Y110-T136 PolarHBondContact OH-OG1 3.23Å; Y133-T136 WeakPolarHBondContact CA-OG1 3.08Å; Y133-T136 PolarHBondContact O-N 3.41Å; Y133-T136 PolarHBondContact O-OG1 3.4Å; T136-V140 HydrophobicContact CG2-CB 3.52Å; T136-V140 HydrophobicContact CG2-CG1 3.42Å; T136-V140 VanDerWaalsContact CG2-CG1 3.42Å; T136-R141 HydrophobicContact CG2-CB 4.29Å; T136-L144 HydrophobicContact CG2-CD1 4.08Å
137	D	90.1	Very high	91.8	Very high	80 Å²	80	59.6 Å²	59.6	43%	0.428	32%	0.324	S	S	.	.			trans	-56.9	142.6	173.3	-179	-92	0	0	0	111.3	S139 V140 R141	D137-S139 PolarHBondContact O-N 2.87Å; D137-S139 VanDerWaalsContact O-N 3.16Å; D137-S139 WeakPolarHBondContact OD1-CA 3.17Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 3.34Å; D137-S139 PolarHBondContact OD1-OG 2.86Å; D137-V140 HydrophobicContact CB-CB 4.48Å; D137-V140 HydrophobicContact CB-CG2 4.18Å; D137-V140 PolarHBondContact O-N 2.77Å; D137-R141 WeakPolarHBondContact O-CB 3.47Å; D137-R141 PolarHBondContact O-N 2.88Å
138	P	91.1	Very high	91.8	Very high	102 Å²	102	62 Å²	62	66%	0.662	33%	0.331	S	S	*	.	H	α-helix	trans	-54.1	-35.8	-179.9	-28.6	36.4	0	0	0	114.4	V140 R141 S142	P138-V140 VanDerWaalsContact C-N 3.31Å; P138-V140 PolarHBondContact O-N 2.89Å; P138-R141 PolarHBondContact O-N 2.92Å; P138-S142 PolarHBondContact O-N 2.8Å
139	S	91.7	Very high	91.8	Very high	51 Å²	51	63.9 Å²	63.9	36%	0.357	35%	0.346	S	S	.	.	H	α-helix	trans	-69.2	-30.7	180	75.4	0	0	0	0	112.3	N103 D137 S142 Q143	N103-S139 WeakPolarHBondContact ND2-CB 3.48Å; N103-S139 PolarHBondContact ND2-OG 2.78Å; D137-S139 PolarHBondContact O-N 2.87Å; D137-S139 VanDerWaalsContact O-N 3.16Å; D137-S139 WeakPolarHBondContact OD1-CA 3.17Å; D137-S139 WeakPolarHBondContact OD1-CB 3.35Å; D137-S139 PolarHBondContact OD1-N 3.34Å; D137-S139 PolarHBondContact OD1-OG 2.86Å; S139-S142 PolarHBondContact O-OG 3.33Å; S139-Q143 PolarHBondContact O-NE2 2.97Å
140	V	92.2	Very high	91.8	Very high	1 Å²	1	64 Å²	64	1%	0.006	35%	0.347	C	S	.	.	H	α-helix	trans	-82.1	-40.5	175.6	179.4	0	0	0	0	110	N103 E106 V107 Y110 T136 D137 P138 S142 Q143 L144	N103-V140 HydrophobicContact CB-CG2 4.18Å; E106-V140 HydrophobicContact CB-CG1 4.02Å; E106-V140 HydrophobicContact CB-CG2 4.26Å; E106-V140 HydrophobicContact CG-CG1 4.05Å; E106-V140 HydrophobicContact CG-CG2 4.4Å; E106-V140 WeakPolarHBondContact OE2-CG2 3.46Å; V107-V140 HydrophobicContact CG2-CG1 3.83Å; Y110-V140 HydrophobicContact CD2-CG1 4.2Å; Y110-V140 HydrophobicContact CE2-CG1 4.01Å; T136-V140 HydrophobicContact CG2-CB 3.52Å; T136-V140 HydrophobicContact CG2-CG1 3.42Å; T136-V140 VanDerWaalsContact CG2-CG1 3.42Å; D137-V140 HydrophobicContact CB-CB 4.48Å; D137-V140 HydrophobicContact CB-CG2 4.18Å; D137-V140 PolarHBondContact O-N 2.77Å; P138-V140 VanDerWaalsContact C-N 3.31Å; P138-V140 PolarHBondContact O-N 2.89Å; V140-S142 VanDerWaalsContact C-N 3.26Å; V140-S142 PolarHBondContact O-N 2.89Å; V140-Q143 WeakPolarHBondContact O-CA 3.44Å; V140-Q143 WeakPolarHBondContact O-CB 3.48Å; V140-Q143 PolarHBondContact O-N 2.84Å; V140-L144 PolarHBondContact O-N 3.49Å
141	R	91.1	Very high	91.9	Very high	134 Å²	134	62.3 Å²	62.3	51%	0.506	34%	0.335	S	S	.	.	H	α-helix	trans	-57.3	-39.1	-179.9	-172.6	175.2	-179.9	85.5	2.9	112.4	Y133 T136 D137 P138 Q143 L144	Y133-R141 PolarHBondContact O-NH1 2.87Å; T136-R141 HydrophobicContact CG2-CB 4.29Å; D137-R141 WeakPolarHBondContact O-CB 3.47Å; D137-R141 PolarHBondContact O-N 2.88Å; P138-R141 PolarHBondContact O-N 2.92Å; R141-Q143 PolarHBondContact O-N 3.07Å; R141-L144 HydrophobicContact CB-CD1 4.46Å; R141-L144 HydrophobicContact CG-CD1 4.35Å; R141-L144 PolarHBondContact O-N 3.1Å
142	S	93.1	Very high	92	Very high	97 Å²	97	63.7 Å²	63.7	68%	0.678	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.8	-19.6	176.1	67.1	0	0	0	0	114.2	P138 S139 V140	P138-S142 PolarHBondContact O-N 2.8Å; S139-S142 PolarHBondContact O-OG 3.33Å; V140-S142 VanDerWaalsContact C-N 3.26Å; V140-S142 PolarHBondContact O-N 2.89Å
143	Q	93.5	Very high	92.1	Very high	73 Å²	73	63.5 Å²	63.5	34%	0.341	34%	0.342	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.7	-4.8	-178.9	-60.9	-176	44	0	0	113.3	N103 V107 S139 V140 R141	N103-Q143 PolarHBondContact ND2-NE2 3.46Å; V107-Q143 HydrophobicContact CG2-CB 3.65Å; S139-Q143 PolarHBondContact O-NE2 2.97Å; V140-Q143 WeakPolarHBondContact O-CA 3.44Å; V140-Q143 WeakPolarHBondContact O-CB 3.48Å; V140-Q143 PolarHBondContact O-N 2.84Å; R141-Q143 PolarHBondContact O-N 3.07Å
144	L	92.1	Very high	92.1	Very high	22 Å²	22	63.2 Å²	63.2	12%	0.115	34%	0.341	C	S	.	.	S	Bend	trans	-67.4	145.5	176.9	-70.6	173.5	0	0	0	110.9	V107 Y110 Y133 T136 V140 R141	V107-L144 HydrophobicContact CB-CD2 4.39Å; V107-L144 HydrophobicContact CG1-CD2 4.24Å; V107-L144 HydrophobicContact CG2-CD2 4.15Å; Y110-L144 HydrophobicContact CD2-CD2 4.08Å; Y110-L144 HydrophobicContact CG-CD2 4.39Å; Y133-L144 HydrophobicContact CD1-CD1 3.51Å; Y133-L144 HydrophobicContact CD1-CD2 4.28Å; Y133-L144 HydrophobicContact CD1-CG 4.48Å; Y133-L144 HydrophobicContact CD2-CD1 3.82Å; Y133-L144 HydrophobicContact CE1-CB 4.44Å; Y133-L144 HydrophobicContact CE1-CD1 3.56Å; Y133-L144 HydrophobicContact CE1-CD2 3.63Å; Y133-L144 HydrophobicContact CE1-CG 4.08Å; Y133-L144 HydrophobicContact CE2-CB 4.13Å; Y133-L144 HydrophobicContact CE2-CD1 3.86Å; Y133-L144 HydrophobicContact CE2-CG 4.49Å; Y133-L144 HydrophobicContact CG-CD1 3.64Å; T136-L144 HydrophobicContact CG2-CD1 4.08Å; V140-L144 PolarHBondContact O-N 3.49Å; R141-L144 HydrophobicContact CB-CD1 4.46Å; R141-L144 HydrophobicContact CG-CD1 4.35Å; R141-L144 PolarHBondContact O-N 3.1Å
145	P	93.1	Very high	92.4	Very high	46 Å²	46	63.8 Å²	63.8	30%	0.299	35%	0.345	S	S	.	.	P	Polyproline II helix	trans	-59.2	151.6	168.7	-20.7	32.4	0	0	0	111.6	A149 M150	P145-A149 HydrophobicContact CB-CB 4.27Å; P145-M150 HydrophobicContact CB-CG 4.11Å; P145-M150 HydrophobicContact CB-SD 3.92Å; P145-M150 HydrophobicContact CG-SD 3.94Å
146	S	94.5	Very high	92.9	Very high	74 Å²	74	68 Å²	68	52%	0.517	36%	0.355	S	S	.	.	P	Polyproline II helix	trans	-56.9	149.3	172.9	64.2	0	0	0	0	112	E148 A149 M150	S146-E148 PolarHBondContact O-N 3.03Å; S146-A149 WeakPolarHBondContact O-CB 3.41Å; S146-A149 PolarHBondContact O-N 3.39Å; S146-A149 VanDerWaalsContact OG-CB 3.3Å; S146-A149 WeakPolarHBondContact OG-CB 3.28Å; S146-A149 PolarHBondContact OG-N 2.7Å; S146-M150 PolarHBondContact O-N 3.32Å
147	N	94.2	Very high	93	Very high	59 Å²	59	70.3 Å²	70.3	32%	0.316	36%	0.363	S	S	.	.	H	α-helix	trans	-52	-41.9	174.6	-70.4	10.7	0	0	0	111.6	I129 A149 M150 K151	I129-N147 HydrophobicContact CD1-CB 4.48Å; I129-N147 HydrophobicContact CG2-CB 4.37Å; I129-N147 WeakPolarHBondContact CG2-OD1 3.34Å; N147-A149 PolarHBondContact O-N 3.11Å; N147-M150 CarbonylContact O-C 3.58Å; N147-M150 PolarHBondContact O-N 3.42Å; N147-M150 VanDerWaalsContact O-N 3.09Å; N147-K151 WeakPolarHBondContact O-CG 3.2Å; N147-K151 PolarHBondContact O-N 3.24Å
148	E	95.8	Very high	93.1	Very high	111 Å²	111	68.9 Å²	68.9	52%	0.519	35%	0.352	S	S	.	.	H	α-helix	trans	-61.4	-39.8	177.4	-69.2	-53.4	134	0	0	113.7	S146 M150 K151 K152	S146-E148 PolarHBondContact O-N 3.03Å; E148-M150 VanDerWaalsContact C-N 3.34Å; E148-K151 IonicContact OE1-NZ 3.8Å; E148-K152 WeakPolarHBondContact O-CG 3.44Å; E148-K152 PolarHBondContact O-N 2.92Å
149	A	94.8	Very high	93.1	Very high	39 Å²	39	66.9 Å²	66.9	32%	0.322	34%	0.344	S	S	.	.	H	α-helix	trans	-63.4	-42.6	173.3	0	0	0	0	0	111	P145 S146 N147 K152 V153	P145-A149 HydrophobicContact CB-CB 4.27Å; S146-A149 WeakPolarHBondContact O-CB 3.41Å; S146-A149 PolarHBondContact O-N 3.39Å; S146-A149 VanDerWaalsContact OG-CB 3.3Å; S146-A149 WeakPolarHBondContact OG-CB 3.28Å; S146-A149 PolarHBondContact OG-N 2.7Å; N147-A149 PolarHBondContact O-N 3.11Å; A149-K152 PolarHBondContact O-N 3.33Å; A149-V153 WeakPolarHBondContact O-CG2 3.16Å; A149-V153 PolarHBondContact O-N 2.93Å; A149-V153 VanDerWaalsContact O-N 3.07Å
150	M	94.5	Very high	92.9	Very high	4 Å²	4	68.5 Å²	68.5	2%	0.02	36%	0.355	C	S	.	.	H	α-helix	trans	-69.9	-36.8	179.1	-67.4	-48.8	-59.5	0	0	112.9	C111 I114 I129 Y133 P145 S146 N147 E148 K152 V153 I154	C111-M150 HydrophobicContact CB-CE 4.46Å; I114-M150 HydrophobicContact CB-CE 3.78Å; I114-M150 HydrophobicContact CD1-CE 3.78Å; I114-M150 HydrophobicContact CD1-CG 4.4Å; I114-M150 HydrophobicContact CG1-CE 4.37Å; I114-M150 HydrophobicContact CG2-CE 3.46Å; I114-M150 VanDerWaalsContact CG2-CE 3.46Å; I129-M150 HydrophobicContact CD1-CB 3.68Å; I129-M150 HydrophobicContact CG1-CB 3.9Å; Y133-M150 WeakPolarHBondContact OH-CG 3.1Å; P145-M150 HydrophobicContact CB-CG 4.11Å; P145-M150 HydrophobicContact CB-SD 3.92Å; P145-M150 HydrophobicContact CG-SD 3.94Å; S146-M150 PolarHBondContact O-N 3.32Å; N147-M150 CarbonylContact O-C 3.58Å; N147-M150 PolarHBondContact O-N 3.42Å; N147-M150 VanDerWaalsContact O-N 3.09Å; E148-M150 VanDerWaalsContact C-N 3.34Å; M150-K152 VanDerWaalsContact C-N 3.3Å; M150-K152 PolarHBondContact O-N 2.85Å; M150-V153 HydrophobicContact CE-CB 4.29Å; M150-V153 HydrophobicContact CE-CG1 4.24Å; M150-V153 WeakPolarHBondContact O-CA 3.19Å; M150-V153 WeakPolarHBondContact O-CB 3.14Å; M150-V153 PolarHBondContact O-N 3.4Å; M150-V153 HydrophobicContact SD-CG2 4.46Å; M150-I154 WeakPolarHBondContact O-CG1 3.28Å; M150-I154 PolarHBondContact O-N 3.15Å
151	K	96.4	Very high	92.4	Very high	53 Å²	53	73.3 Å²	73.3	23%	0.23	38%	0.379	C	S	.	.	H	α-helix	trans	-55.8	-45.1	171	-72.6	179.9	178.7	178.8	0	111.4	P125 D126 I129 N147 E148 V153 I154 Q155	P125-K151 HydrophobicContact CB-CB 4.41Å; P125-K151 HydrophobicContact CB-CG 3.82Å; D126-K151 WeakPolarHBondContact OD1-CE 3.36Å; D126-K151 IonicContact OD1-NZ 3.52Å; D126-K151 PolarHBondContact OD1-NZ 3.35Å; D126-K151 IonicContact OD2-NZ 2.7Å; I129-K151 HydrophobicContact CD1-CG 3.74Å; N147-K151 WeakPolarHBondContact O-CG 3.2Å; N147-K151 PolarHBondContact O-N 3.24Å; E148-K151 IonicContact OE1-NZ 3.8Å; K151-V153 VanDerWaalsContact C-N 3.34Å; K151-V153 PolarHBondContact O-N 2.87Å; K151-I154 PolarHBondContact O-N 3.31Å; K151-Q155 WeakPolarHBondContact O-CB 3.18Å; K151-Q155 PolarHBondContact O-N 3.5Å
152	K	94.7	Very high	91.9	Very high	116 Å²	116	74.4 Å²	74.4	50%	0.504	39%	0.388	S	S	.	.	H	α-helix	trans	-63	-38	174.7	-70.2	177.3	-176.6	177.3	0	112.4	E148 A149 M150 R156	E148-K152 WeakPolarHBondContact O-CG 3.44Å; E148-K152 PolarHBondContact O-N 2.92Å; A149-K152 PolarHBondContact O-N 3.33Å; M150-K152 VanDerWaalsContact C-N 3.3Å; M150-K152 PolarHBondContact O-N 2.85Å; K152-R156 WeakPolarHBondContact O-CB 3.34Å; K152-R156 VanDerWaalsContact O-CG 3.23Å; K152-R156 WeakPolarHBondContact O-CG 3.47Å; K152-R156 PolarHBondContact O-N 3.19Å
153	V	92	Very high	91	Very high	39 Å²	39	75.4 Å²	75.4	24%	0.236	39%	0.392	C	S	.	.	H	α-helix	trans	-63.1	-48.6	175.2	170.6	0	0	0	0	110.9	K115 A149 M150 K151 Q155 R156 K157	K115-V153 HydrophobicContact CD-CG1 4.34Å; K115-V153 HydrophobicContact CG-CG1 3.63Å; A149-V153 WeakPolarHBondContact O-CG2 3.16Å; A149-V153 PolarHBondContact O-N 2.93Å; A149-V153 VanDerWaalsContact O-N 3.07Å; M150-V153 HydrophobicContact CE-CB 4.29Å; M150-V153 HydrophobicContact CE-CG1 4.24Å; M150-V153 WeakPolarHBondContact O-CA 3.19Å; M150-V153 WeakPolarHBondContact O-CB 3.14Å; M150-V153 PolarHBondContact O-N 3.4Å; M150-V153 HydrophobicContact SD-CG2 4.46Å; K151-V153 VanDerWaalsContact C-N 3.34Å; K151-V153 PolarHBondContact O-N 2.87Å; V153-Q155 PolarHBondContact O-N 2.85Å; V153-R156 PolarHBondContact O-N 3.1Å; V153-K157 WeakPolarHBondContact O-CB 3.43Å; V153-K157 PolarHBondContact O-N 2.83Å
154	I	93.1	Very high	89.9	Confident	1 Å²	1	82.9 Å²	82.9	1%	0.005	42%	0.417	C	S	.	.	H	α-helix	trans	-58.2	-48.7	177.4	-66.5	170.5	0	0	0	110.2	I114 A118 P125 I128 I129 M150 K151 R156 K157 R158	I114-I154 HydrophobicContact CG2-CD1 3.76Å; I114-I154 HydrophobicContact CG2-CG1 3.69Å; A118-I154 HydrophobicContact CB-CB 4.15Å; A118-I154 HydrophobicContact CB-CG1 4Å; A118-I154 HydrophobicContact CB-CG2 3.81Å; P125-I154 HydrophobicContact CB-CD1 3.92Å; P125-I154 HydrophobicContact CB-CG2 4.4Å; P125-I154 HydrophobicContact CG-CG2 4.14Å; I128-I154 HydrophobicContact CB-CD1 4.17Å; I128-I154 HydrophobicContact CD1-CD1 4.48Å; I128-I154 HydrophobicContact CG2-CD1 4.08Å; I129-I154 HydrophobicContact CD1-CD1 4.13Å; I129-I154 HydrophobicContact CG1-CD1 3.98Å; M150-I154 WeakPolarHBondContact O-CG1 3.28Å; M150-I154 PolarHBondContact O-N 3.15Å; K151-I154 PolarHBondContact O-N 3.31Å; I154-R156 PolarHBondContact O-N 2.86Å; I154-K157 PolarHBondContact O-N 2.88Å; I154-R158 WeakPolarHBondContact O-CG 3.44Å; I154-R158 PolarHBondContact O-N 3.37Å
155	Q	93.6	Very high	88.9	Confident	136 Å²	136	87.4 Å²	87.4	64%	0.636	45%	0.447	S	S	*	.	H	α-helix	trans	-58.9	-48.9	179.1	-174.2	-172.8	16.8	0	0	111.9	K151 V153 K157 R158 A159	K151-Q155 WeakPolarHBondContact O-CB 3.18Å; K151-Q155 PolarHBondContact O-N 3.5Å; V153-Q155 PolarHBondContact O-N 2.85Å; Q155-K157 VanDerWaalsContact C-N 3.33Å; Q155-K157 PolarHBondContact O-N 3.22Å; Q155-R158 PolarHBondContact O-N 2.88Å; Q155-A159 WeakPolarHBondContact O-CB 3.33Å; Q155-A159 PolarHBondContact O-N 2.79Å
156	R	91.7	Very high	87.4	Confident	174 Å²	174	96.7 Å²	96.7	66%	0.657	49%	0.492	S	S	*	.	H	α-helix	trans	-61.6	-41.5	178.4	-73.3	171.2	-173.6	165.7	0.8	111.7	K152 V153 I154 A159 S160	K152-R156 WeakPolarHBondContact O-CB 3.34Å; K152-R156 VanDerWaalsContact O-CG 3.23Å; K152-R156 WeakPolarHBondContact O-CG 3.47Å; K152-R156 PolarHBondContact O-N 3.19Å; V153-R156 PolarHBondContact O-N 3.1Å; I154-R156 PolarHBondContact O-N 2.86Å; R156-A159 PolarHBondContact O-N 2.97Å; R156-S160 WeakPolarHBondContact O-CB 3.42Å; R156-S160 PolarHBondContact O-N 3.42Å
157	K	89.2	Confident	87	Confident	64 Å²	64	97.8 Å²	97.8	28%	0.278	49%	0.491	S	S	.	.	H	α-helix	trans	-64.3	-47.6	179.5	-169.7	69.9	-139.9	-131.2	0	110.9	E119 V153 I154 Q155 A159 S160 M161	E119-K157 HydrophobicContact CG-CD 3.86Å; E119-K157 VanDerWaalsContact CG-CE 3.46Å; E119-K157 HydrophobicContact CG-CG 3.42Å; E119-K157 VanDerWaalsContact CG-CG 3.42Å; E119-K157 VanDerWaalsContact OE1-CD 3.23Å; E119-K157 WeakPolarHBondContact OE1-CD 3.48Å; E119-K157 WeakPolarHBondContact OE1-CE 3.19Å; E119-K157 IonicContact OE1-NZ 2.62Å; E119-K157 PolarHBondContact OE1-NZ 2.63Å; E119-K157 WeakPolarHBondContact OE2-CE 3.42Å; E119-K157 IonicContact OE2-NZ 2.79Å; E119-K157 PolarHBondContact OE2-NZ 3.35Å; V153-K157 WeakPolarHBondContact O-CB 3.43Å; V153-K157 PolarHBondContact O-N 2.83Å; I154-K157 PolarHBondContact O-N 2.88Å; Q155-K157 VanDerWaalsContact C-N 3.33Å; Q155-K157 PolarHBondContact O-N 3.22Å; K157-A159 PolarHBondContact O-N 2.81Å; K157-S160 PolarHBondContact O-N 2.96Å; K157-S160 PolarHBondContact O-OG 3.27Å; K157-M161 WeakPolarHBondContact O-CG 3.32Å; K157-M161 PolarHBondContact O-N 2.89Å
158	R	92.4	Very high	86.6	Confident	50 Å²	50	99.8 Å²	99.8	19%	0.189	50%	0.5	C	S	.	.	H	α-helix	trans	-61.5	-40.8	174.5	-71.8	178.7	172.7	167.5	0.9	112.8	A118 T121 E123 I154 Q155 S160 M161 K162	A118-R158 WeakPolarHBondContact O-CG 3.24Å; A118-R158 PolarHBondContact O-NE 3.08Å; T121-R158 PolarHBondContact O-NE 3.31Å; T121-R158 PolarHBondContact O-NH2 3.45Å; E123-R158 VanDerWaalsContact O-CZ 3.25Å; E123-R158 PolarHBondContact O-NH1 2.76Å; E123-R158 PolarHBondContact O-NH2 3.49Å; I154-R158 WeakPolarHBondContact O-CG 3.44Å; I154-R158 PolarHBondContact O-N 3.37Å; Q155-R158 PolarHBondContact O-N 2.88Å; R158-S160 VanDerWaalsContact C-N 3.31Å; R158-S160 PolarHBondContact O-N 2.83Å; R158-M161 PolarHBondContact O-N 2.94Å; R158-K162 PolarHBondContact O-N 3.06Å
159	A	90.9	Very high	86.1	Confident	60 Å²	60	99.2 Å²	99.2	50%	0.496	50%	0.499	S	S	.	.	H	α-helix	trans	-63.6	-37	176.2	0	0	0	0	0	112.3	Q155 R156 K157 M161 K162	Q155-A159 WeakPolarHBondContact O-CB 3.33Å; Q155-A159 PolarHBondContact O-N 2.79Å; R156-A159 PolarHBondContact O-N 2.97Å; K157-A159 PolarHBondContact O-N 2.81Å; A159-M161 PolarHBondContact O-N 2.82Å; A159-K162 PolarHBondContact O-N 2.87Å
160	S	86.9	Confident	85.6	Confident	85 Å²	85	102.8 Å²	102.8	59%	0.594	51%	0.509	S	S	*	.	H	α-helix	trans	-67.6	-18.6	176.8	73.2	0	0	0	0	114.1	R156 K157 R158	R156-S160 WeakPolarHBondContact O-CB 3.42Å; R156-S160 PolarHBondContact O-N 3.42Å; K157-S160 PolarHBondContact O-N 2.96Å; K157-S160 PolarHBondContact O-OG 3.27Å; R158-S160 VanDerWaalsContact C-N 3.31Å; R158-S160 PolarHBondContact O-N 2.83Å
161	M	83.4	Confident	85.1	Confident	102 Å²	102	108.9 Å²	108.9	50%	0.502	54%	0.54	S	S	.	.	H	α-helix	trans	-91.6	-15.9	177.5	-63.9	173.3	68.8	0	0	113.1	E119 K157 R158 A159	E119-M161 VanDerWaalsContact CA-SD 3.55Å; E119-M161 HydrophobicContact CB-CE 4.16Å; E119-M161 HydrophobicContact CB-SD 3.78Å; E119-M161 HydrophobicContact CG-SD 3.73Å; E119-M161 WeakPolarHBondContact O-CE 3.42Å; K157-M161 WeakPolarHBondContact O-CG 3.32Å; K157-M161 PolarHBondContact O-N 2.89Å; R158-M161 PolarHBondContact O-N 2.94Å; A159-M161 PolarHBondContact O-N 2.82Å
162	K	80.2	Confident	84.3	Confident	158 Å²	158	112.7 Å²	112.7	69%	0.687	56%	0.561	S	S	*	*	S	Bend	trans	-69.4	136.9	176.2	-69.4	-175.7	179.2	-173.7	0	108.9	R158 A159 R164	R158-K162 PolarHBondContact O-N 3.06Å; A159-K162 PolarHBondContact O-N 2.87Å; K162-R164 PolarHBondContact O-N 3.33Å
163	P	74.1	Confident	83.6	Confident	117 Å²	117	112.4 Å²	112.4	76%	0.76	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-57	136.9	172.6	24.5	-32.2	0	0	0	109
164	R	69.5	Low	82.9	Confident	230 Å²	230	118.1 Å²	118.1	87%	0.868	59%	0.59	S	S	*	*	P	Polyproline II helix	trans	-61.7	127.2	171.7	-165.2	-173.9	-60	-103.3	1.7	107	K162 I166	K162-R164 PolarHBondContact O-N 3.33Å; R164-I166 PolarHBondContact O-N 3.31Å
165	P	71.7	Confident	82.1	Confident	117 Å²	117	127.8 Å²	127.8	76%	0.76	64%	0.639	S	S	*	*	P	Polyproline II helix	trans	-55.1	134.1	175.8	-22.1	31.9	0	0	0	110
166	I	61.2	Low	81	Confident	241 Å²	241	127.1 Å²	127.1	100%	1.236	64%	0.639	S	S	*	*			trans	-67.8	0	173.9	-59.4	172.4	0	0	0	109.1	R164	R164-I166 PolarHBondContact O-N 3.31Å

Retrieved 166 of 166 residues in 30.6 ms (Link to these results)

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