G4VPN9_SCHMA Loading...

Rhodanese domain-containing protein

AlphaFold DB , UniProt , Accession G4VPN9, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 160 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	47.6	Very low	53.7	Low	244 Å²	244	174.5 Å²	174.5	100%	1.202	86%	0.855	S	S	*	*				0	116.3	0	-75.1	174.8	158.9	0	0	108.8
2	R	45.1	Very low	53.3	Low	243 Å²	243	175.1 Å²	175.1	92%	0.917	86%	0.855	S	S	*	*			trans	146.3	101.4	168.3	-84.3	168.7	-173.2	-168.7	3	107
3	S	49.1	Very low	53.8	Low	112 Å²	112	168.9 Å²	168.9	78%	0.783	84%	0.84	S	S	*	*				76.2	131.8	89.5	-99.6	0	0	0	0	111.5
4	I	62.1	Low	53.9	Low	154 Å²	154	171.1 Å²	171.1	79%	0.79	84%	0.843	S	S	*	*			cis	-163.9	149.6	10.4	-43.2	177.9	0	0	0	107.2
5	H	50.7	Low	54.4	Low	165 Å²	165	171.7 Å²	171.7	76%	0.764	85%	0.849	S	S	*	*			trans	-75.4	149.3	169.2	-91.4	-70.1	0	0	0	113.6
6	L	60.4	Low	54.8	Low	167 Å²	167	169.3 Å²	169.3	87%	0.874	85%	0.847	S	S	*	*			trans	-141.2	134.7	145.9	-91.9	107.5	0	0	0	110.8
7	R	50.3	Low	54.6	Low	224 Å²	224	167.6 Å²	167.6	85%	0.845	85%	0.847	S	S	*	*			trans	-124.2	133.9	174.1	-75.2	-177.2	170.2	-146.6	-0.7	108.4
8	T	59.1	Low	54.6	Low	129 Å²	129	164.2 Å²	164.2	79%	0.791	84%	0.842	S	S	*	*			trans	-163.6	102.5	155	-28.6	0	0	0	0	108.4
9	V	56.5	Low	54.7	Low	123 Å²	123	161.3 Å²	161.3	75%	0.745	84%	0.837	S	S	*	*				44.5	116.8	97.9	-169	0	0	0	0	116
10	F	58.2	Low	54.5	Low	211 Å²	211	164.4 Å²	164.4	93%	0.925	84%	0.838	S	S	*	*			trans	-138.2	124.9	156	-134.2	-96.1	0	0	0	108.8
11	L	51.2	Low	54.2	Low	147 Å²	147	162.3 Å²	162.3	77%	0.77	84%	0.838	S	S	*	*			trans	-118.8	166.2	173.2	-138.2	102.5	0	0	0	107.3
12	Q	50	Low	54.3	Low	182 Å²	182	161.2 Å²	161.2	85%	0.85	82%	0.821	S	S	*	*			trans	119.3	136.7	171.6	-67.2	-126	-20.5	0	0	111.3
13	S	59.9	Low	54.8	Low	95 Å²	95	156.7 Å²	156.7	66%	0.664	82%	0.819	S	S	*	*			cis	-168.4	162.8	-1.3	-80.3	0	0	0	0	108.5
14	F	54.8	Low	54.6	Low	200 Å²	200	155.9 Å²	155.9	88%	0.877	82%	0.82	S	S	*	*			trans	-60.1	150.1	177.1	-75.3	-106.9	0	0	0	115
15	L	61.2	Low	54.5	Low	179 Å²	179	153.3 Å²	153.3	94%	0.937	82%	0.822	S	S	*	*			trans	-140.4	143.3	146.9	-81	179.1	0	0	0	111.9
16	T	60.3	Low	54.4	Low	134 Å²	134	151.8 Å²	151.8	82%	0.822	83%	0.826	S	S	*	*			trans	-93.9	150.8	-160.2	-43.9	0	0	0	0	112.6
17	V	52.1	Low	53.8	Low	140 Å²	140	147.3 Å²	147.3	85%	0.848	82%	0.82	S	S	*	*			trans	-69.7	140	171.4	164.4	0	0	0	0	111.7
18	S	54.2	Low	53.3	Low	107 Å²	107	144.6 Å²	144.6	75%	0.748	82%	0.822	S	S	*	*			trans	-171.6	145.9	138.6	-164.7	0	0	0	0	114.4
19	S	55.8	Low	52.2	Low	108 Å²	108	147.9 Å²	147.9	76%	0.755	82%	0.821	S	S	*	*			trans	95.1	105.9	152	75.5	0	0	0	0	120.4
20	R	52	Low	51.5	Low	224 Å²	224	147.4 Å²	147.4	85%	0.845	82%	0.818	S	S	*	*			trans	-40.9	145.3	150	-81.5	164.4	147.1	-170.1	-4	112.3
21	S	48.3	Very low	51	Low	121 Å²	121	146 Å²	146	85%	0.846	81%	0.811	S	S	*	*				177	149.7	106.3	-75.5	0	0	0	0	113
22	R	49.7	Very low	50.7	Low	221 Å²	221	145.8 Å²	145.8	83%	0.834	81%	0.811	S	S	*	*			trans	-64.2	157.4	-179	-68.6	168.3	-96.6	-148.7	-3.8	112.8
23	V	54.8	Low	50.4	Low	147 Å²	147	142.8 Å²	142.8	89%	0.891	81%	0.81	S	S	*	*				165.7	137	119.5	172.4	0	0	0	0	109.3
24	A	46.2	Very low	49.7	Very low	95 Å²	95	143.8 Å²	143.8	79%	0.785	82%	0.817	S	S	*	*			trans	-82.9	154.3	-177.3	0	0	0	0	0	113.6
25	A	58.2	Low	49.3	Very low	101 Å²	101	141.4 Å²	141.4	84%	0.835	81%	0.812	S	S	*	*			trans	-159.3	151.5	149.8	0	0	0	0	0	111.8
26	P	49.1	Very low	48.8	Very low	132 Å²	132	138.8 Å²	138.8	86%	0.857	80%	0.803	S	S	*	*			trans	-103.3	168.7	-165	39.4	-31	0	0	0	113.9
27	G	48.1	Very low	47.7	Very low	73 Å²	73	140.1 Å²	140.1	75%	0.753	81%	0.805	S	S	*	*			trans	126	105.7	152.2	0	0	0	0	0	117.3
28	L	39.8	Very low	47.5	Very low	168 Å²	168	137.1 Å²	137.1	88%	0.88	79%	0.79	S	S	*	*			trans	49.9	119	132.8	-138.5	70.7	0	0	0	120.3
29	Y	36.9	Very low	46.7	Very low	198 Å²	198	143.1 Å²	143.1	78%	0.776	80%	0.796	S	S	*	*				175.8	144.5	108.7	-160.9	-104.3	0	0	0	112.3
30	V	41.6	Very low	46	Very low	112 Å²	112	148.6 Å²	148.6	68%	0.679	80%	0.8	S	S	*	*			trans	-98.6	149.5	-170.1	173.7	0	0	0	0	111.4
31	K	46.9	Very low	45.8	Very low	181 Å²	181	146.9 Å²	146.9	79%	0.787	80%	0.799	S	S	*	*			trans	-160.7	116.4	145.8	-109.2	169	-170.5	-175.5	0	113.3
32	N	44.9	Very low	45.9	Very low	144 Å²	144	147.2 Å²	147.2	77%	0.77	80%	0.796	S	S	*	*			trans	28.1	106.3	150.1	-64.7	5.1	0	0	0	119.4
33	S	44.9	Very low	46.4	Very low	118 Å²	118	140.6 Å²	140.6	83%	0.825	78%	0.784	S	S	*	*				-167.4	129	127.1	-81	0	0	0	0	109.3	I35	S33-I35 PolarHBondContact O-N 2.97Å; S33-I35 VanDerWaalsContact O-N 3.14Å
34	S	44.2	Very low	46.6	Very low	116 Å²	116	142.5 Å²	142.5	81%	0.811	78%	0.783	S	S	*	*			trans	-54.2	108.3	-177.8	49.4	0	0	0	0	112.6
35	I	46.7	Very low	47.7	Very low	151 Å²	151	144.9 Å²	144.9	77%	0.774	78%	0.776	S	S	*	*			trans	-119	99.7	153.3	-65.5	176.1	0	0	0	105.8	S33 L37	S33-I35 PolarHBondContact O-N 2.97Å; S33-I35 VanDerWaalsContact O-N 3.14Å; I35-L37 PolarHBondContact O-N 3.14Å
36	V	49.4	Very low	48.8	Very low	123 Å²	123	144.2 Å²	144.2	75%	0.745	77%	0.765	S	S	*	*			trans	-58.5	104.2	165.5	176.6	0	0	0	0	106	S38	V36-S38 PolarHBondContact O-N 2.83Å
37	L	39	Very low	50.8	Low	163 Å²	163	140.6 Å²	140.6	85%	0.853	74%	0.74	S	S	*	*			trans	-64	78.5	161.6	-90.5	132.2	0	0	0	107	I35 R39	I35-L37 PolarHBondContact O-N 3.14Å; L37-R39 PolarHBondContact O-N 2.81Å
38	S	47.5	Very low	53.1	Low	76 Å²	76	140.4 Å²	140.4	53%	0.531	72%	0.722	S	S	.	*			trans	-67.2	91.1	158.3	51	0	0	0	0	105.7	V36 W40	V36-S38 PolarHBondContact O-N 2.83Å; S38-W40 VanDerWaalsContact O-CD1 3.31Å; S38-W40 PolarHBondContact O-N 2.8Å
39	R	36	Very low	55.7	Low	233 Å²	233	133.1 Å²	133.1	88%	0.879	68%	0.684	S	S	*	*			trans	-42.9	92.2	158.2	178	161.2	156	88.8	-5.4	107.1	L37 F41	L37-R39 PolarHBondContact O-N 2.81Å; R39-F41 PolarHBondContact O-N 2.76Å
40	W	42.6	Very low	58.5	Low	223 Å²	223	127.9 Å²	127.9	85%	0.845	67%	0.669	S	S	*	*			trans	-51.3	112.8	174.8	-69.3	91.5	0	0	0	106.1	S38 T42	S38-W40 VanDerWaalsContact O-CD1 3.31Å; S38-W40 PolarHBondContact O-N 2.8Å; W40-T42 PolarHBondContact O-N 2.94Å
41	F	48	Very low	61.1	Low	189 Å²	189	122.8 Å²	122.8	83%	0.829	64%	0.639	S	S	*	*			trans	-59.5	91	170.9	-176.1	-95.9	0	0	0	106.4	R39 S43	R39-F41 PolarHBondContact O-N 2.76Å; F41-S43 PolarHBondContact O-N 2.66Å
42	T	49.4	Very low	63.3	Low	128 Å²	128	120.6 Å²	120.6	79%	0.785	63%	0.629	S	S	*	*			trans	-70.9	87.9	167.2	50.1	0	0	0	0	105.4	W40 E44	W40-T42 PolarHBondContact O-N 2.94Å; T42-E44 PolarHBondContact O-N 3.3Å
43	S	59.9	Low	65.7	Low	82 Å²	82	119.9 Å²	119.9	57%	0.573	62%	0.616	S	S	*	*			trans	-52.8	116	163.2	-172.9	0	0	0	0	105.9	F41 K45	F41-S43 PolarHBondContact O-N 2.66Å; S43-K45 PolarHBondContact O-N 3.19Å
44	E	60.3	Low	68.1	Low	187 Å²	187	114.3 Å²	114.3	87%	0.874	58%	0.576	S	S	*	*			trans	-55	108.7	174	-167.8	165.1	-137.8	0	0	106.5	T42 S46	T42-E44 PolarHBondContact O-N 3.3Å; E44-S46 PolarHBondContact O-N 3.16Å
45	K	68.1	Low	70.4	Confident	144 Å²	144	111.7 Å²	111.7	63%	0.626	55%	0.55	S	S	*	*			trans	-68.5	119.7	-179.7	-74.3	179.4	-176.2	159.6	0	106.6	S43 V47 N142	S43-K45 PolarHBondContact O-N 3.19Å; K45-V47 PolarHBondContact O-N 3.3Å; K45-N142 PolarHBondContact NZ-OD1 3.2Å
46	S	81.6	Confident	72.7	Confident	88 Å²	88	108.1 Å²	108.1	62%	0.615	53%	0.531	S	S	*	.			trans	-63.7	123.6	172.4	59.2	0	0	0	0	108.8	E44 D48	E44-S46 PolarHBondContact O-N 3.16Å; S46-D48 PolarHBondContact O-N 2.98Å; S46-D48 PolarHBondContact OG-O 2.9Å
47	V	92.1	Very high	74.7	Confident	55 Å²	55	102.9 Å²	102.9	33%	0.333	50%	0.498	S	S	.	.	S	Bend	trans	-67.8	-22.1	169.3	-66.5	0	0	0	0	111.2	K45 L132 L144 N145	K45-V47 PolarHBondContact O-N 3.3Å; V47-L132 HydrophobicContact CB-CD1 4Å; V47-L144 CarbonylContact O-C 3.53Å; V47-L144 WeakPolarHBondContact O-CA 3.38Å; V47-N145 PolarHBondContact O-N 3.44Å
48	D	94.9	Very high	77.3	Confident	70 Å²	70	97.1 Å²	97.1	37%	0.374	47%	0.467	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	134.1	-178.4	-75.9	-26.6	0	0	0	112.1	S46 N145 V147	S46-D48 PolarHBondContact O-N 2.98Å; S46-D48 PolarHBondContact OG-O 2.9Å; D48-N145 PolarHBondContact OD1-ND2 3.37Å; D48-V147 HydrophobicContact CB-CG2 3.51Å
49	I	95.2	Very high	79.4	Confident	15 Å²	15	101.9 Å²	101.9	8%	0.077	48%	0.478	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	148.2	171.5	66.3	167.6	0	0	0	110.8	R53 L54 M57 V119 L144 N145 L146 V147	I49-R53 HydrophobicContact CB-CB 4.33Å; I49-R53 HydrophobicContact CB-CG 4.22Å; I49-R53 HydrophobicContact CG2-CG 4.2Å; I49-L54 HydrophobicContact CD1-CB 4.25Å; I49-L54 HydrophobicContact CD1-CD1 4.38Å; I49-M57 HydrophobicContact CD1-SD 3.96Å; I49-V119 HydrophobicContact CD1-CB 4.34Å; I49-V119 HydrophobicContact CD1-CG1 3.68Å; I49-V119 HydrophobicContact CD1-CG2 3.64Å; I49-V119 HydrophobicContact CG1-CG1 4.39Å; I49-L144 HydrophobicContact CG2-CB 4.29Å; I49-L144 HydrophobicContact CG2-CD1 4.1Å; I49-L144 HydrophobicContact CG2-CD2 4.17Å; I49-L144 HydrophobicContact CG2-CG 4.42Å; I49-N145 WeakPolarHBondContact CG1-O 3.33Å; I49-N145 PolarHBondContact N-O 3.33Å; I49-L146 HydrophobicContact CG1-CD1 4.31Å; I49-V147 WeakPolarHBondContact O-CG2 3.15Å; I49-V147 PolarHBondContact O-N 3.44Å
50	D	95.2	Very high	81.8	Confident	88 Å²	88	94.1 Å²	94.1	47%	0.471	46%	0.46	S	S	.	.			trans	-90.3	173.1	171.3	66.2	19.9	0	0	0	111.8	K52 R53 L54	D50-K52 VanDerWaalsContact C-N 3.3Å; D50-K52 PolarHBondContact O-N 3Å; D50-K52 PolarHBondContact OD1-N 3.25Å; D50-R53 PolarHBondContact O-N 3.24Å; D50-R53 VanDerWaalsContact OD1-CB 3.23Å; D50-R53 WeakPolarHBondContact OD1-CB 3.44Å; D50-R53 PolarHBondContact OD1-N 3.4Å; D50-L54 PolarHBondContact O-N 2.9Å
51	V	95.7	Very high	83.6	Confident	5 Å²	5	93.9 Å²	93.9	3%	0.03	47%	0.465	C	S	.	.	H	α-helix	trans	-66.1	-32.8	-179.9	173.1	0	0	0	0	111.8	L54 K55 L146 A152 W153 E156	V51-L54 WeakPolarHBondContact O-CB 3.02Å; V51-L54 PolarHBondContact O-N 3.34Å; V51-K55 HydrophobicContact CG1-CD 4.42Å; V51-K55 WeakPolarHBondContact O-CG 3.35Å; V51-K55 PolarHBondContact O-N 3.35Å; V51-L146 HydrophobicContact CG2-CD1 4.12Å; V51-A152 HydrophobicContact CG2-CB 3.76Å; V51-W153 HydrophobicContact CG1-CE3 3.78Å; V51-W153 HydrophobicContact CG1-CZ3 4.22Å; V51-W153 HydrophobicContact CG2-CB 4.49Å; V51-E156 WeakPolarHBondContact CB-OE2 3.49Å; V51-E156 HydrophobicContact CG1-CB 4.01Å; V51-E156 HydrophobicContact CG1-CG 4.36Å; V51-E156 WeakPolarHBondContact CG1-OE2 3.42Å
52	K	94.7	Very high	85.6	Confident	134 Å²	134	88.6 Å²	88.6	58%	0.583	45%	0.445	S	S	*	.	H	α-helix	trans	-61.8	-47.3	175.7	-177.9	-177.3	175.6	-174.1	0	111	D50 K55 E56	D50-K52 VanDerWaalsContact C-N 3.3Å; D50-K52 PolarHBondContact O-N 3Å; D50-K52 PolarHBondContact OD1-N 3.25Å; K52-K55 WeakPolarHBondContact O-CB 3.47Å; K52-K55 PolarHBondContact O-N 3.48Å; K52-E56 PolarHBondContact O-N 3.24Å
53	R	94.2	Very high	87.7	Confident	130 Å²	130	83.8 Å²	83.8	49%	0.491	41%	0.414	S	S	.	.	H	α-helix	trans	-64.8	-40.7	176.4	-177.1	56.4	176.6	-179.8	-0.7	111.3	I49 D50 K55 E56 M57	I49-R53 HydrophobicContact CB-CB 4.33Å; I49-R53 HydrophobicContact CB-CG 4.22Å; I49-R53 HydrophobicContact CG2-CG 4.2Å; D50-R53 PolarHBondContact O-N 3.24Å; D50-R53 VanDerWaalsContact OD1-CB 3.23Å; D50-R53 WeakPolarHBondContact OD1-CB 3.44Å; D50-R53 PolarHBondContact OD1-N 3.4Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 3.26Å; R53-E56 WeakPolarHBondContact CD-OE2 3.49Å; R53-E56 IonicContact CZ-OE2 3.84Å; R53-E56 IonicContact NH1-OE2 2.84Å; R53-E56 PolarHBondContact NH1-OE2 3.04Å; R53-E56 WeakPolarHBondContact O-CB 3.33Å; R53-E56 PolarHBondContact O-N 3.33Å; R53-E56 VanDerWaalsContact O-N 3.16Å; R53-M57 HydrophobicContact CG-SD 4.27Å; R53-M57 WeakPolarHBondContact O-CG 3.25Å; R53-M57 PolarHBondContact O-N 3.28Å
54	L	95	Very high	89.3	Confident	0 Å²	0	81 Å²	81	0%	0	39%	0.392	C	S	.	.	H	α-helix	trans	-57.5	-46.4	172.7	179.7	62.2	0	0	0	111.2	I49 D50 V51 E56 M57 M58 L63 L65 I80 V119 L146 W153	I49-L54 HydrophobicContact CD1-CB 4.25Å; I49-L54 HydrophobicContact CD1-CD1 4.38Å; D50-L54 PolarHBondContact O-N 2.9Å; V51-L54 WeakPolarHBondContact O-CB 3.02Å; V51-L54 PolarHBondContact O-N 3.34Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.19Å; L54-M57 CarbonylContact O-C 3.54Å; L54-M57 PolarHBondContact O-N 3.1Å; L54-M57 VanDerWaalsContact O-N 3.11Å; L54-M58 HydrophobicContact CD1-CG 4.5Å; L54-M58 HydrophobicContact CG-CG 4.45Å; L54-M58 HydrophobicContact CG-SD 4.25Å; L54-M58 VanDerWaalsContact O-CG 3.25Å; L54-M58 WeakPolarHBondContact O-CG 3.37Å; L54-M58 PolarHBondContact O-N 3.48Å; L54-L63 HydrophobicContact CD1-CD1 4.16Å; L54-L63 HydrophobicContact CD1-CD2 3.78Å; L54-L65 HydrophobicContact CD1-CD1 4.21Å; L54-L65 HydrophobicContact CD1-CD2 4.49Å; L54-I80 HydrophobicContact CD2-CD1 4.46Å; L54-I80 HydrophobicContact CD2-CG2 4.41Å; L54-V119 HydrophobicContact CD1-CG1 4.26Å; L54-V119 HydrophobicContact CD1-CG2 4.43Å; L54-L146 HydrophobicContact CB-CD1 4.14Å; L54-L146 HydrophobicContact CD2-CD1 3.85Å; L54-L146 HydrophobicContact CD2-CD2 3.74Å; L54-L146 HydrophobicContact CD2-CG 4.4Å; L54-W153 HydrophobicContact CD2-CE3 4.05Å; L54-W153 HydrophobicContact CD2-CZ3 4.24Å
55	K	93.9	Very high	91	Very high	61 Å²	61	72.1 Å²	72.1	27%	0.265	35%	0.35	S	S	.	.	H	α-helix	trans	-60.9	-34.8	176.3	-74.1	176.3	177.2	176.6	0	112.8	V51 K52 R53 W153 E156	V51-K55 HydrophobicContact CG1-CD 4.42Å; V51-K55 WeakPolarHBondContact O-CG 3.35Å; V51-K55 PolarHBondContact O-N 3.35Å; K52-K55 WeakPolarHBondContact O-CB 3.47Å; K52-K55 PolarHBondContact O-N 3.48Å; R53-K55 VanDerWaalsContact C-N 3.33Å; R53-K55 PolarHBondContact O-N 3.26Å; K55-W153 HydrophobicContact CG-CH2 4.39Å; K55-W153 HydrophobicContact CG-CZ3 3.94Å; K55-E156 WeakPolarHBondContact CE-OE1 3.39Å; K55-E156 IonicContact NZ-OE1 2.71Å; K55-E156 PolarHBondContact NZ-OE1 2.81Å
56	E	93.4	Very high	92.4	Very high	77 Å²	77	65.2 Å²	65.2	36%	0.36	32%	0.32	S	S	.	.	H	α-helix	trans	-65.5	-46.9	171.5	-68.9	174.2	177.6	0	0	111.5	K52 R53 L54 M58 K59	K52-E56 PolarHBondContact O-N 3.24Å; R53-E56 WeakPolarHBondContact CD-OE2 3.49Å; R53-E56 IonicContact CZ-OE2 3.84Å; R53-E56 IonicContact NH1-OE2 2.84Å; R53-E56 PolarHBondContact NH1-OE2 3.04Å; R53-E56 WeakPolarHBondContact O-CB 3.33Å; R53-E56 PolarHBondContact O-N 3.33Å; R53-E56 VanDerWaalsContact O-N 3.16Å; L54-E56 VanDerWaalsContact C-N 3.29Å; L54-E56 PolarHBondContact O-N 3.19Å; E56-M58 VanDerWaalsContact C-N 3.28Å; E56-M58 PolarHBondContact O-N 3.05Å; E56-K59 WeakPolarHBondContact O-CB 3.46Å; E56-K59 PolarHBondContact O-N 2.76Å; E56-K59 VanDerWaalsContact O-N 3.09Å
57	M	93	Very high	93.1	Very high	12 Å²	12	61.1 Å²	61.1	6%	0.059	29%	0.291	C	S	.	.	H	α-helix	trans	-63.9	-33.3	178.6	-66	173.1	75	0	0	112.2	I49 R53 L54 K59 S60 L63 N117 V119 L144	I49-M57 HydrophobicContact CD1-SD 3.96Å; R53-M57 HydrophobicContact CG-SD 4.27Å; R53-M57 WeakPolarHBondContact O-CG 3.25Å; R53-M57 PolarHBondContact O-N 3.28Å; L54-M57 CarbonylContact O-C 3.54Å; L54-M57 PolarHBondContact O-N 3.1Å; L54-M57 VanDerWaalsContact O-N 3.11Å; M57-K59 PolarHBondContact O-N 2.69Å; M57-S60 CarbonylContact O-C 3.44Å; M57-S60 WeakPolarHBondContact O-CA 3.43Å; M57-S60 WeakPolarHBondContact O-CB 3.34Å; M57-S60 PolarHBondContact O-N 3.02Å; M57-L63 HydrophobicContact CB-CD1 4.11Å; M57-L63 HydrophobicContact CB-CD2 4.45Å; M57-L63 HydrophobicContact CE-CD1 3.94Å; M57-N117 HydrophobicContact CE-CB 3.92Å; M57-N117 WeakPolarHBondContact CE-OD1 3.23Å; M57-V119 HydrophobicContact CE-CG2 3.85Å; M57-V119 HydrophobicContact SD-CG2 4.29Å; M57-L144 HydrophobicContact CE-CD1 3.73Å; M57-L144 HydrophobicContact SD-CD1 4.27Å
58	M	93	Very high	93.4	Very high	43 Å²	43	58.5 Å²	58.5	21%	0.212	28%	0.275	C	S	.	.	T	Hydrogen-bonded Turn	trans	-62.5	-21.4	175.1	-71.1	170.8	84.3	0	0	113.1	L54 E56 S60 L63 P81 Y82 W153	L54-M58 HydrophobicContact CD1-CG 4.5Å; L54-M58 HydrophobicContact CG-CG 4.45Å; L54-M58 HydrophobicContact CG-SD 4.25Å; L54-M58 VanDerWaalsContact O-CG 3.25Å; L54-M58 WeakPolarHBondContact O-CG 3.37Å; L54-M58 PolarHBondContact O-N 3.48Å; E56-M58 VanDerWaalsContact C-N 3.28Å; E56-M58 PolarHBondContact O-N 3.05Å; M58-S60 VanDerWaalsContact C-N 3.33Å; M58-L63 HydrophobicContact CB-CD2 4.2Å; M58-L63 HydrophobicContact CG-CD2 3.39Å; M58-P81 HydrophobicContact CE-CB 3.88Å; M58-P81 HydrophobicContact CE-CG 4.31Å; M58-Y82 HydrophobicContact CE-CD2 3.74Å; M58-Y82 HydrophobicContact CE-CE2 4Å; M58-W153 HydrophobicContact CE-CH2 3.9Å; M58-W153 HydrophobicContact SD-CH2 3.71Å; M58-W153 HydrophobicContact SD-CZ3 3.8Å
59	K	92.3	Very high	93.5	Very high	176 Å²	176	55.2 Å²	55.2	77%	0.765	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75	-26.4	173.2	-60.8	173	-177.2	177.1	0	111.8	E56 M57	E56-K59 WeakPolarHBondContact O-CB 3.46Å; E56-K59 PolarHBondContact O-N 2.76Å; E56-K59 VanDerWaalsContact O-N 3.09Å; M57-K59 PolarHBondContact O-N 2.69Å
60	S	84.8	Confident	93.6	Very high	69 Å²	69	58.7 Å²	58.7	48%	0.483	27%	0.274	S	S	.	.	S	Bend	trans	-86.2	119	173	-58.8	0	0	0	0	108.7	M57 M58 D62 L63	M57-S60 CarbonylContact O-C 3.44Å; M57-S60 WeakPolarHBondContact O-CA 3.43Å; M57-S60 WeakPolarHBondContact O-CB 3.34Å; M57-S60 PolarHBondContact O-N 3.02Å; M58-S60 VanDerWaalsContact C-N 3.33Å; S60-D62 PolarHBondContact O-N 3.46Å; S60-L63 PolarHBondContact O-N 3.32Å
61	K	81.8	Confident	93.6	Very high	219 Å²	219	57.2 Å²	57.2	95%	0.952	27%	0.269	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	6.3	-176.5	-63.9	-176.6	179.2	-180	0	115.5
62	D	88.5	Confident	93.5	Very high	77 Å²	77	62 Å²	62	41%	0.412	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-102.7	3.2	-176	-169.5	43.4	0	0	0	113	S60 K64 N117	S60-D62 PolarHBondContact O-N 3.46Å; D62-K64 PolarHBondContact O-N 2.97Å; D62-N117 WeakPolarHBondContact O-CB 3.49Å; D62-N117 PolarHBondContact OD2-ND2 3.27Å
63	L	93.3	Very high	93.5	Very high	27 Å²	27	57.6 Å²	57.6	14%	0.141	28%	0.276	C	S	.	.			trans	-66.4	127.1	176	176	65.7	0	0	0	111.4	L54 M57 M58 S60 L65 V119	L54-L63 HydrophobicContact CD1-CD1 4.16Å; L54-L63 HydrophobicContact CD1-CD2 3.78Å; M57-L63 HydrophobicContact CB-CD1 4.11Å; M57-L63 HydrophobicContact CB-CD2 4.45Å; M57-L63 HydrophobicContact CE-CD1 3.94Å; M58-L63 HydrophobicContact CB-CD2 4.2Å; M58-L63 HydrophobicContact CG-CD2 3.39Å; S60-L63 PolarHBondContact O-N 3.32Å; L63-L65 HydrophobicContact CD2-CB 4.38Å; L63-L65 HydrophobicContact CG-CB 4.27Å; L63-V119 HydrophobicContact CD1-CB 4.21Å; L63-V119 HydrophobicContact CD1-CG2 3.56Å
64	K	94.3	Very high	93.5	Very high	23 Å²	23	52.6 Å²	52.6	10%	0.1	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.5	95.1	171.4	-55.7	-63.1	-179.2	175.9	0	109	D62 F108 P111 N117 V118 V119	D62-K64 PolarHBondContact O-N 2.97Å; K64-F108 HydrophobicContact CB-CE1 4.31Å; K64-F108 HydrophobicContact CB-CZ 3.74Å; K64-F108 HydrophobicContact CD-CE1 4.22Å; K64-F108 HydrophobicContact CD-CE2 3.98Å; K64-F108 HydrophobicContact CD-CZ 3.42Å; K64-F108 VanDerWaalsContact CD-CZ 3.42Å; K64-F108 HydrophobicContact CG-CZ 4.13Å; K64-P111 HydrophobicContact CB-CG 4.27Å; K64-P111 HydrophobicContact CG-CG 4.41Å; K64-N117 PolarHBondContact N-O 2.87Å; K64-V118 HydrophobicContact CB-CG2 4.37Å; K64-V118 WeakPolarHBondContact O-CA 3.42Å; K64-V119 PolarHBondContact O-N 3.36Å
65	L	96.2	Very high	93.4	Very high	1 Å²	1	60.3 Å²	60.3	1%	0.005	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.6	123.5	-176.8	-177.8	62.1	0	0	0	111.3	L54 L63 I80 A83 V84 V119	L54-L65 HydrophobicContact CD1-CD1 4.21Å; L54-L65 HydrophobicContact CD1-CD2 4.49Å; L63-L65 HydrophobicContact CD2-CB 4.38Å; L63-L65 HydrophobicContact CG-CB 4.27Å; L65-I80 HydrophobicContact CD2-CB 3.9Å; L65-I80 HydrophobicContact CD2-CG2 3.48Å; L65-I80 VanDerWaalsContact CD2-CG2 3.48Å; L65-A83 HydrophobicContact CB-CB 4.49Å; L65-A83 HydrophobicContact CD2-CB 3.75Å; L65-A83 HydrophobicContact CG-CB 3.79Å; L65-A83 WeakPolarHBondContact O-CA 3.32Å; L65-V84 PolarHBondContact O-N 2.64Å; L65-V119 WeakPolarHBondContact CA-O 3.32Å; L65-V119 HydrophobicContact CD1-CB 3.8Å; L65-V119 HydrophobicContact CD1-CG1 3.63Å
66	I	97	Very high	93.3	Very high	0 Å²	0	65 Å²	65	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.7	123	-176.1	-59.1	170.8	0	0	0	109.5	V68 V84 I86 F95 F108 P111 V118 V119 F120 S121	I66-V68 HydrophobicContact CG2-CG1 4.16Å; I66-V84 CarbonylContact C-O 3.54Å; I66-V84 WeakPolarHBondContact CA-O 3.44Å; I66-I86 HydrophobicContact CD1-CD1 4.37Å; I66-I86 HydrophobicContact CG2-CB 3.82Å; I66-I86 HydrophobicContact CG2-CD1 3.99Å; I66-I86 HydrophobicContact CG2-CG1 3.96Å; I66-F95 HydrophobicContact CD1-CE2 3.99Å; I66-F95 HydrophobicContact CD1-CZ 3.53Å; I66-F108 HydrophobicContact CG1-CE1 4.39Å; I66-P111 HydrophobicContact CD1-CG 4.37Å; I66-V118 HydrophobicContact CD1-CG1 4.23Å; I66-V119 PolarHBondContact N-O 3.22Å; I66-F120 HydrophobicContact CB-CD1 3.93Å; I66-F120 HydrophobicContact CB-CE1 4.06Å; I66-F120 HydrophobicContact CD1-CD1 4.5Å; I66-F120 HydrophobicContact CD1-CE1 3.81Å; I66-F120 HydrophobicContact CD1-CZ 4.12Å; I66-F120 HydrophobicContact CG2-CD1 4Å; I66-F120 HydrophobicContact CG2-CE1 4.02Å; I66-F120 CarbonylContact O-C 3.58Å; I66-F120 WeakPolarHBondContact O-CA 3.24Å; I66-S121 PolarHBondContact O-N 3.45Å
67	D	97.4	Very high	93.2	Very high	1 Å²	1	64.7 Å²	64.7	1%	0.005	32%	0.321	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	116.9	175.3	-166.3	-29.7	0	0	0	109.9	R69 A83 V84 N85 I86 S121	D67-R69 VanDerWaalsContact OD1-CB 3.3Å; D67-R69 WeakPolarHBondContact OD1-CB 3.26Å; D67-R69 WeakPolarHBondContact OD1-CG 3.33Å; D67-R69 IonicContact OD1-CZ 2.87Å; D67-R69 PolarHBondContact OD1-N 3.06Å; D67-R69 VanDerWaalsContact OD1-N 3.07Å; D67-R69 IonicContact OD1-NE 3.28Å; D67-R69 PolarHBondContact OD1-NE 3.47Å; D67-R69 IonicContact OD2-CZ 3.23Å; D67-R69 VanDerWaalsContact OD2-CZ 3.28Å; D67-R69 IonicContact OD2-NE 2.68Å; D67-R69 PolarHBondContact OD2-NE 2.8Å; D67-R69 IonicContact OD2-NH2 3.99Å; D67-R69 PolarHBondContact OD2-NH2 3.22Å; D67-A83 HydrophobicContact CB-CB 4.3Å; D67-V84 PolarHBondContact N-O 2.96Å; D67-N85 WeakPolarHBondContact O-CA 3.43Å; D67-N85 PolarHBondContact O-ND2 2.8Å; D67-I86 PolarHBondContact O-N 3.43Å; D67-S121 WeakPolarHBondContact CA-O 3.23Å
68	V	97.7	Very high	93.1	Very high	0 Å²	0	65.5 Å²	65.5	0%	0	33%	0.332	C	S	.	.			trans	-97	15.2	-175.2	-51.1	0	0	0	0	114.4	I66 I86 L88 V91 F120 S121 C122 R127 A131	I66-V68 HydrophobicContact CG2-CG1 4.16Å; V68-I86 VanDerWaalsContact CA-O 3.27Å; V68-I86 WeakPolarHBondContact CA-O 3.27Å; V68-L88 HydrophobicContact CB-CB 4.39Å; V68-L88 PolarHBondContact O-N 3.37Å; V68-V91 HydrophobicContact CG1-CG2 3.96Å; V68-F120 HydrophobicContact CG1-CD1 3.84Å; V68-S121 WeakPolarHBondContact CG2-O 3.4Å; V68-S121 PolarHBondContact N-O 3.2Å; V68-C122 HydrophobicContact CG2-CB 3.73Å; V68-R127 HydrophobicContact CG2-CB 3.85Å; V68-A131 HydrophobicContact CB-CB 4.43Å; V68-A131 HydrophobicContact CG1-CB 3.74Å; V68-A131 HydrophobicContact CG2-CB 4.36Å
69	R	97.4	Very high	93.1	Very high	1 Å²	1	69.8 Å²	69.8	0%	0.004	35%	0.35	C	S	.	.	S	Bend	trans	-73.2	165.5	170	-65.3	-179	-68.4	159.4	3.2	111.6	D67 E73 L74 T77 G78 N85 C122	D67-R69 VanDerWaalsContact OD1-CB 3.3Å; D67-R69 WeakPolarHBondContact OD1-CB 3.26Å; D67-R69 WeakPolarHBondContact OD1-CG 3.33Å; D67-R69 IonicContact OD1-CZ 2.87Å; D67-R69 PolarHBondContact OD1-N 3.06Å; D67-R69 VanDerWaalsContact OD1-N 3.07Å; D67-R69 IonicContact OD1-NE 3.28Å; D67-R69 PolarHBondContact OD1-NE 3.47Å; D67-R69 IonicContact OD2-CZ 3.23Å; D67-R69 VanDerWaalsContact OD2-CZ 3.28Å; D67-R69 IonicContact OD2-NE 2.68Å; D67-R69 PolarHBondContact OD2-NE 2.8Å; D67-R69 IonicContact OD2-NH2 3.99Å; D67-R69 PolarHBondContact OD2-NH2 3.22Å; R69-E73 HydrophobicContact CB-CB 4.21Å; R69-E73 WeakPolarHBondContact CB-OE2 3.44Å; R69-L74 HydrophobicContact CB-CD1 3.59Å; R69-T77 PolarHBondContact NH1-OG1 3.05Å; R69-G78 PolarHBondContact NH2-O 3.01Å; R69-N85 PolarHBondContact O-ND2 3.31Å; R69-C122 HydrophobicContact CG-CB 4.21Å
70	E	96.7	Very high	93.2	Very high	89 Å²	89	61.4 Å²	61.4	42%	0.416	31%	0.314	S	S	.	.			trans	-70.4	147.2	170.9	-60.2	-52.5	137.4	0	0	110.1	D72 E73 L74	E70-D72 PolarHBondContact O-N 2.85Å; E70-E73 PolarHBondContact N-OE2 3.05Å; E70-E73 WeakPolarHBondContact O-CB 3.28Å; E70-E73 PolarHBondContact O-N 3.44Å; E70-L74 WeakPolarHBondContact O-CD1 3.36Å
71	P	94.9	Very high	93.6	Very high	57 Å²	57	60.9 Å²	60.9	37%	0.37	31%	0.309	S	S	.	.	H	α-helix	trans	-53.9	-39.6	-179.1	-24.1	32.9	0	0	0	112.8	E73 L74 E75 N85 P87	P71-E73 PolarHBondContact O-N 3.43Å; P71-L74 WeakPolarHBondContact O-CA 3.33Å; P71-L74 WeakPolarHBondContact O-CB 3.34Å; P71-L74 PolarHBondContact O-N 2.94Å; P71-E75 PolarHBondContact O-N 3.21Å; P71-E75 VanDerWaalsContact O-N 3.11Å; P71-N85 WeakPolarHBondContact CG-OD1 3.37Å; P71-P87 HydrophobicContact CG-CG 4.26Å
72	D	95	Very high	94	Very high	105 Å²	105	59.4 Å²	59.4	56%	0.561	30%	0.298	S	S	*	.	H	α-helix	trans	-58.3	-32.6	178.5	-59.6	-6.9	0	0	0	113	E70 Q76	E70-D72 PolarHBondContact O-N 2.85Å; D72-Q76 WeakPolarHBondContact O-CG 3.44Å; D72-Q76 PolarHBondContact O-N 2.91Å; D72-Q76 PolarHBondContact O-NE2 3.16Å; D72-Q76 VanDerWaalsContact O-NE2 3.12Å
73	E	94	Very high	94.3	Very high	41 Å²	41	56.1 Å²	56.1	19%	0.192	28%	0.282	C	S	.	.	H	α-helix	trans	-71	-34.7	176.2	-67.9	-178.6	86.7	0	0	111.5	R69 E70 P71 T77 R127	R69-E73 HydrophobicContact CB-CB 4.21Å; R69-E73 WeakPolarHBondContact CB-OE2 3.44Å; E70-E73 PolarHBondContact N-OE2 3.05Å; E70-E73 WeakPolarHBondContact O-CB 3.28Å; E70-E73 PolarHBondContact O-N 3.44Å; P71-E73 PolarHBondContact O-N 3.43Å; E73-T77 WeakPolarHBondContact O-CB 3.29Å; E73-T77 PolarHBondContact O-N 2.96Å; E73-T77 PolarHBondContact O-OG1 2.98Å; E73-R127 VanDerWaalsContact CD-NH2 3.31Å; E73-R127 IonicContact OE1-CZ 3.93Å; E73-R127 IonicContact OE1-NH2 2.88Å; E73-R127 PolarHBondContact OE1-NH2 2.98Å; E73-R127 IonicContact OE2-CZ 3.03Å; E73-R127 VanDerWaalsContact OE2-CZ 3.23Å; E73-R127 IonicContact OE2-NH1 2.72Å; E73-R127 PolarHBondContact OE2-NH1 3.11Å; E73-R127 IonicContact OE2-NH2 3.01Å; E73-R127 PolarHBondContact OE2-NH2 3.45Å
74	L	93.5	Very high	94.4	Very high	26 Å²	26	56.1 Å²	56.1	14%	0.136	28%	0.283	C	S	.	.	H	α-helix	trans	-70.5	-36.3	178.3	-84.2	68.2	0	0	0	111.1	R69 E70 P71 Q76 G78 K79 N85	R69-L74 HydrophobicContact CB-CD1 3.59Å; E70-L74 WeakPolarHBondContact O-CD1 3.36Å; P71-L74 WeakPolarHBondContact O-CA 3.33Å; P71-L74 WeakPolarHBondContact O-CB 3.34Å; P71-L74 PolarHBondContact O-N 2.94Å; L74-Q76 VanDerWaalsContact C-N 3.34Å; L74-G78 CarbonylContact O-C 3.43Å; L74-G78 WeakPolarHBondContact O-CA 3.35Å; L74-G78 PolarHBondContact O-N 3.25Å; L74-K79 HydrophobicContact CD2-CB 4.13Å; L74-K79 HydrophobicContact CG-CB 4.25Å; L74-N85 HydrophobicContact CD2-CB 3.64Å
75	E	92.9	Very high	94.6	Very high	162 Å²	162	56.9 Å²	56.9	76%	0.757	29%	0.288	S	S	*	.	H	α-helix	trans	-64.5	-39.9	175.9	-66.3	-172.3	168.2	0	0	111.8	P71	P71-E75 PolarHBondContact O-N 3.21Å; P71-E75 VanDerWaalsContact O-N 3.11Å
76	Q	92.1	Very high	94.6	Very high	160 Å²	160	56.8 Å²	56.8	75%	0.748	29%	0.288	S	S	*	.	H	α-helix	trans	-77.8	-42.9	-178.2	-70.4	172.5	57.3	0	0	113.5	D72 L74	D72-Q76 WeakPolarHBondContact O-CG 3.44Å; D72-Q76 PolarHBondContact O-N 2.91Å; D72-Q76 PolarHBondContact O-NE2 3.16Å; D72-Q76 VanDerWaalsContact O-NE2 3.12Å; L74-Q76 VanDerWaalsContact C-N 3.34Å
77	T	90.7	Very high	94.7	Very high	69 Å²	69	57.3 Å²	57.3	42%	0.423	29%	0.291	S	S	.	.	H	α-helix	trans	-103.5	-17	-170.3	61.8	0	0	0	0	113.5	R69 E73 Y150	R69-T77 PolarHBondContact NH1-OG1 3.05Å; E73-T77 WeakPolarHBondContact O-CB 3.29Å; E73-T77 PolarHBondContact O-N 2.96Å; E73-T77 PolarHBondContact O-OG1 2.98Å; T77-Y150 PolarHBondContact O-OH 3.43Å
78	G	91.7	Very high	94.6	Very high	29 Å²	29	58.7 Å²	58.7	30%	0.299	30%	0.298	S	S	.	.			trans	89.7	-179.7	-167	0	0	0	0	0	113.3	R69 L74	R69-G78 PolarHBondContact NH2-O 3.01Å; L74-G78 CarbonylContact O-C 3.43Å; L74-G78 WeakPolarHBondContact O-CA 3.35Å; L74-G78 PolarHBondContact O-N 3.25Å
79	K	93.2	Very high	94.6	Very high	134 Å²	134	62 Å²	62	58%	0.583	33%	0.332	S	S	*	.			trans	-130.2	155.7	-179.3	65.6	179.2	179.6	-179.8	0	111.3	L74	L74-K79 HydrophobicContact CD2-CB 4.13Å; L74-K79 HydrophobicContact CG-CB 4.25Å
80	I	94.4	Very high	94.5	Very high	0 Å²	0	65.4 Å²	65.4	0%	0	35%	0.348	C	S	.	.			trans	-66.1	138.3	169.9	-53.1	-177.4	0	0	0	108.2	L54 L65 Y82 A83 L146 Y150 W153	L54-I80 HydrophobicContact CD2-CD1 4.46Å; L54-I80 HydrophobicContact CD2-CG2 4.41Å; L65-I80 HydrophobicContact CD2-CB 3.9Å; L65-I80 HydrophobicContact CD2-CG2 3.48Å; L65-I80 VanDerWaalsContact CD2-CG2 3.48Å; I80-Y82 PolarHBondContact O-N 3.35Å; I80-A83 HydrophobicContact CB-CB 4.14Å; I80-A83 WeakPolarHBondContact O-CB 3.13Å; I80-A83 PolarHBondContact O-N 2.84Å; I80-A83 VanDerWaalsContact O-N 3.11Å; I80-L146 HydrophobicContact CD1-CD2 3.61Å; I80-Y150 HydrophobicContact CG1-CD2 3.91Å; I80-Y150 HydrophobicContact CG1-CE2 4.45Å; I80-W153 HydrophobicContact CB-CD2 4.43Å; I80-W153 HydrophobicContact CD1-CB 3.95Å; I80-W153 HydrophobicContact CD1-CD2 4.28Å; I80-W153 HydrophobicContact CD1-CG 3.95Å; I80-W153 HydrophobicContact CG1-CB 4.19Å; I80-W153 HydrophobicContact CG1-CD2 4.09Å; I80-W153 HydrophobicContact CG1-CG 3.74Å; I80-W153 HydrophobicContact CG2-CD2 3.76Å; I80-W153 HydrophobicContact CG2-CE3 3.95Å; I80-W153 HydrophobicContact CG2-CG 4.34Å; I80-W153 HydrophobicContact CG2-CH2 4.2Å; I80-W153 HydrophobicContact CG2-CZ2 4.02Å; I80-W153 HydrophobicContact CG2-CZ3 4.16Å
81	P	92.4	Very high	94.6	Very high	58 Å²	58	61.1 Å²	61.1	38%	0.377	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54	140.5	176.2	-25.1	34.4	0	0	0	111.7	M58 A83 W153	M58-P81 HydrophobicContact CE-CB 3.88Å; M58-P81 HydrophobicContact CE-CG 4.31Å; P81-A83 PolarHBondContact O-N 3.21Å; P81-A83 VanDerWaalsContact O-N 3.11Å; P81-W153 HydrophobicContact CG-CZ2 3.95Å
82	Y	90.6	Very high	94.6	Very high	187 Å²	187	62.8 Å²	62.8	73%	0.733	33%	0.331	S	S	*	.	T	Hydrogen-bonded Turn	trans	65	-0.7	-176.6	-43.1	-70.3	0	0	0	116.2	M58 I80	M58-Y82 HydrophobicContact CE-CD2 3.74Å; M58-Y82 HydrophobicContact CE-CE2 4Å; I80-Y82 PolarHBondContact O-N 3.35Å
83	A	94.9	Very high	94.7	Very high	8 Å²	8	62.8 Å²	62.8	7%	0.066	33%	0.331	C	S	.	.	P	Polyproline II helix	trans	-70.8	136.1	175.5	0	0	0	0	0	111.6	L65 D67 I80 P81	L65-A83 HydrophobicContact CB-CB 4.49Å; L65-A83 HydrophobicContact CD2-CB 3.75Å; L65-A83 HydrophobicContact CG-CB 3.79Å; L65-A83 WeakPolarHBondContact O-CA 3.32Å; D67-A83 HydrophobicContact CB-CB 4.3Å; I80-A83 HydrophobicContact CB-CB 4.14Å; I80-A83 WeakPolarHBondContact O-CB 3.13Å; I80-A83 PolarHBondContact O-N 2.84Å; I80-A83 VanDerWaalsContact O-N 3.11Å; P81-A83 PolarHBondContact O-N 3.21Å; P81-A83 VanDerWaalsContact O-N 3.11Å
84	V	96	Very high	94.9	Very high	27 Å²	27	60.8 Å²	60.8	16%	0.164	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	134.3	171.5	177.6	0	0	0	0	108.9	L65 I66 D67 I86 F108	L65-V84 PolarHBondContact O-N 2.64Å; I66-V84 CarbonylContact C-O 3.54Å; I66-V84 WeakPolarHBondContact CA-O 3.44Å; D67-V84 PolarHBondContact N-O 2.96Å; V84-I86 HydrophobicContact CG1-CG1 4.41Å; V84-F108 HydrophobicContact CB-CB 4.4Å; V84-F108 HydrophobicContact CB-CD1 4.45Å; V84-F108 HydrophobicContact CB-CD2 4.47Å; V84-F108 HydrophobicContact CB-CG 4.22Å; V84-F108 HydrophobicContact CG1-CB 3.98Å; V84-F108 HydrophobicContact CG1-CG 4.28Å; V84-F108 HydrophobicContact CG2-CB 3.9Å; V84-F108 HydrophobicContact CG2-CD1 4.32Å; V84-F108 HydrophobicContact CG2-CD2 3.52Å; V84-F108 HydrophobicContact CG2-CE2 4.05Å; V84-F108 HydrophobicContact CG2-CG 3.67Å
85	N	97.5	Very high	95	Very high	39 Å²	39	59.9 Å²	59.9	21%	0.209	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	123.7	179.7	-176.7	-131.4	0	0	0	110.8	D67 R69 P71 L74	D67-N85 WeakPolarHBondContact O-CA 3.43Å; D67-N85 PolarHBondContact O-ND2 2.8Å; R69-N85 PolarHBondContact O-ND2 3.31Å; P71-N85 WeakPolarHBondContact CG-OD1 3.37Å; L74-N85 HydrophobicContact CD2-CB 3.64Å
86	I	97.2	Very high	95.1	Very high	0 Å²	0	57.8 Å²	57.8	0%	0	31%	0.305	C	S	.	.			trans	-136.9	95.9	169.7	-55.4	-178.7	0	0	0	105.6	I66 D67 V68 V84 E90 V91 A94 F102 Y106	I66-I86 HydrophobicContact CD1-CD1 4.37Å; I66-I86 HydrophobicContact CG2-CB 3.82Å; I66-I86 HydrophobicContact CG2-CD1 3.99Å; I66-I86 HydrophobicContact CG2-CG1 3.96Å; D67-I86 PolarHBondContact O-N 3.43Å; V68-I86 VanDerWaalsContact CA-O 3.27Å; V68-I86 WeakPolarHBondContact CA-O 3.27Å; V84-I86 HydrophobicContact CG1-CG1 4.41Å; I86-E90 HydrophobicContact CG2-CB 4.34Å; I86-V91 HydrophobicContact CG2-CG2 4.04Å; I86-A94 HydrophobicContact CG2-CB 3.83Å; I86-F102 HydrophobicContact CD1-CE2 4.01Å; I86-F102 HydrophobicContact CD1-CZ 3.78Å; I86-Y106 HydrophobicContact CB-CE1 4.42Å; I86-Y106 HydrophobicContact CD1-CD1 4.29Å; I86-Y106 HydrophobicContact CD1-CD2 4.29Å; I86-Y106 HydrophobicContact CD1-CE1 4.49Å; I86-Y106 HydrophobicContact CD1-CE2 4.47Å; I86-Y106 HydrophobicContact CD1-CG 4.19Å; I86-Y106 HydrophobicContact CG1-CD1 3.78Å; I86-Y106 HydrophobicContact CG1-CE1 3.91Å; I86-Y106 HydrophobicContact CG1-CG 4.17Å; I86-Y106 HydrophobicContact CG2-CE1 4.15Å
87	P	97.3	Very high	95.3	Very high	10 Å²	10	52.8 Å²	52.8	7%	0.065	28%	0.283	C	S	.	.			trans	-53.2	147	-176.7	-26.8	35.6	0	0	0	111.7	P71 G89 E90 V91	P71-P87 HydrophobicContact CG-CG 4.26Å; P87-G89 PolarHBondContact O-N 2.98Å; P87-E90 PolarHBondContact O-N 3.42Å; P87-V91 PolarHBondContact O-N 3.36Å
88	L	96.9	Very high	95.5	Very high	31 Å²	31	53.7 Å²	53.7	16%	0.162	29%	0.285	C	S	.	.	G	3₁₀ helix	trans	-50.7	-39.8	-174.1	176.3	62.9	0	0	0	113	V68 E90 V91 R127 R130 A131 I134	V68-L88 HydrophobicContact CB-CB 4.39Å; V68-L88 PolarHBondContact O-N 3.37Å; L88-E90 PolarHBondContact O-N 3.25Å; L88-V91 PolarHBondContact O-N 3.3Å; L88-R127 HydrophobicContact CD2-CB 4.08Å; L88-R127 HydrophobicContact CD2-CG 4.03Å; L88-R130 HydrophobicContact CD1-CB 4Å; L88-R130 HydrophobicContact CD2-CB 4.31Å; L88-A131 HydrophobicContact CD1-CB 3.87Å; L88-I134 HydrophobicContact CD1-CD1 4.19Å
89	G	96.6	Very high	95.7	Very high	69 Å²	69	59.3 Å²	59.3	71%	0.711	30%	0.304	S	S	*	.	G	3₁₀ helix	trans	-66.1	-23.3	179.2	0	0	0	0	0	114.3	P87	P87-G89 PolarHBondContact O-N 2.98Å
90	E	96.6	Very high	95.8	Very high	72 Å²	72	59.5 Å²	59.5	34%	0.336	31%	0.305	S	S	.	.	G	3₁₀ helix	trans	-95.7	-10.3	179.6	-62.4	-168.3	-155.4	0	0	113.2	I86 P87 L88 E92 D93 A94 K105 Y106	I86-E90 HydrophobicContact CG2-CB 4.34Å; P87-E90 PolarHBondContact O-N 3.42Å; L88-E90 PolarHBondContact O-N 3.25Å; E90-E92 PolarHBondContact O-N 3.05Å; E90-D93 PolarHBondContact O-N 3.48Å; E90-A94 WeakPolarHBondContact O-CB 3.35Å; E90-A94 PolarHBondContact O-N 3.5Å; E90-K105 WeakPolarHBondContact OE2-CE 3.45Å; E90-K105 IonicContact OE2-NZ 2.64Å; E90-K105 PolarHBondContact OE2-NZ 2.97Å; E90-Y106 PolarHBondContact OE2-OH 2.86Å
91	V	97.1	Very high	95.9	Very high	0 Å²	0	61.7 Å²	61.7	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-58	-46.7	-174	171.5	0	0	0	0	111.6	V68 I86 P87 L88 D93 A94 F95 A131 I134 V135	V68-V91 HydrophobicContact CG1-CG2 3.96Å; I86-V91 HydrophobicContact CG2-CG2 4.04Å; P87-V91 PolarHBondContact O-N 3.36Å; L88-V91 PolarHBondContact O-N 3.3Å; V91-D93 PolarHBondContact O-N 3.11Å; V91-A94 PolarHBondContact O-N 3.34Å; V91-F95 HydrophobicContact CG1-CD2 3.95Å; V91-F95 HydrophobicContact CG1-CE2 4.16Å; V91-F95 VanDerWaalsContact O-CD2 3.25Å; V91-F95 WeakPolarHBondContact O-CD2 3.28Å; V91-F95 PolarHBondContact O-N 3.06Å; V91-A131 HydrophobicContact CG1-CB 4.15Å; V91-A131 HydrophobicContact CG2-CB 4.06Å; V91-I134 HydrophobicContact CG1-CG2 4.17Å; V91-V135 HydrophobicContact CG1-CG1 3.82Å
92	E	96.8	Very high	96.1	Very high	91 Å²	91	58.9 Å²	58.9	43%	0.425	30%	0.302	S	S	.	.	H	α-helix	trans	-61.1	-48.8	-178.1	-172.3	176.5	179.4	0	0	111.6	E90 F95 K96 I134	E90-E92 PolarHBondContact O-N 3.05Å; E92-F95 PolarHBondContact O-N 3.18Å; E92-K96 HydrophobicContact CG-CD 4.39Å; E92-K96 WeakPolarHBondContact O-CG 3.47Å; E92-K96 PolarHBondContact O-N 2.95Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.66Å; E92-K96 PolarHBondContact OE1-NZ 3.36Å; E92-I134 HydrophobicContact CB-CG2 3.71Å; E92-I134 HydrophobicContact CG-CG2 4.07Å
93	D	97	Very high	96.4	Very high	105 Å²	105	54.4 Å²	54.4	56%	0.561	29%	0.29	S	S	*	.	H	α-helix	trans	-67.5	-42.7	179.9	-68.6	-26.3	0	0	0	111.4	E90 V91 F95 K96 L97	E90-D93 PolarHBondContact O-N 3.48Å; V91-D93 PolarHBondContact O-N 3.11Å; D93-F95 VanDerWaalsContact C-N 3.31Å; D93-F95 PolarHBondContact O-N 2.8Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 VanDerWaalsContact O-N 3.1Å; D93-L97 WeakPolarHBondContact O-CG 3.46Å; D93-L97 PolarHBondContact O-N 3.38Å
94	A	96.6	Very high	96.4	Very high	0 Å²	0	59 Å²	59	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-53.2	-49.8	176.8	0	0	0	0	0	111.2	I86 E90 V91 K96 L97 F102 Y106	I86-A94 HydrophobicContact CG2-CB 3.83Å; E90-A94 WeakPolarHBondContact O-CB 3.35Å; E90-A94 PolarHBondContact O-N 3.5Å; V91-A94 PolarHBondContact O-N 3.34Å; A94-K96 VanDerWaalsContact C-N 3.25Å; A94-K96 PolarHBondContact O-N 2.64Å; A94-L97 WeakPolarHBondContact O-CB 3.46Å; A94-L97 PolarHBondContact O-N 2.79Å; A94-F102 HydrophobicContact CB-CD2 4.49Å; A94-F102 HydrophobicContact CB-CE2 4.16Å; A94-F102 VanDerWaalsContact O-CD2 3.27Å; A94-F102 WeakPolarHBondContact O-CD2 3.36Å; A94-Y106 HydrophobicContact CB-CE2 3.5Å; A94-Y106 WeakPolarHBondContact CB-OH 3.36Å
95	F	95.6	Very high	96.4	Very high	7 Å²	7	63.2 Å²	63.2	3%	0.031	33%	0.326	C	S	.	.	H	α-helix	trans	-75.2	-12.9	-176.5	-82.2	-98.1	0	0	0	113.7	I66 V91 E92 D93 K110 P111 F120 V135 L138 Y140	I66-F95 HydrophobicContact CD1-CE2 3.99Å; I66-F95 HydrophobicContact CD1-CZ 3.53Å; V91-F95 HydrophobicContact CG1-CD2 3.95Å; V91-F95 HydrophobicContact CG1-CE2 4.16Å; V91-F95 VanDerWaalsContact O-CD2 3.25Å; V91-F95 WeakPolarHBondContact O-CD2 3.28Å; V91-F95 PolarHBondContact O-N 3.06Å; E92-F95 PolarHBondContact O-N 3.18Å; D93-F95 VanDerWaalsContact C-N 3.31Å; D93-F95 PolarHBondContact O-N 2.8Å; F95-K110 VanDerWaalsContact O-CE 3.23Å; F95-K110 WeakPolarHBondContact O-CE 3.22Å; F95-K110 PolarHBondContact O-NZ 3.22Å; F95-P111 HydrophobicContact CE1-CG 4.22Å; F95-P111 HydrophobicContact CZ-CG 4.39Å; F95-F120 HydrophobicContact CE1-CZ 4.45Å; F95-F120 HydrophobicContact CE2-CE1 4.03Å; F95-F120 HydrophobicContact CE2-CZ 4.05Å; F95-F120 HydrophobicContact CZ-CE1 4.01Å; F95-F120 AromaticContact CZ-CZ 3.65Å; F95-F120 HydrophobicContact CZ-CZ 3.65Å; F95-V135 HydrophobicContact CB-CG1 4.27Å; F95-V135 HydrophobicContact CD1-CB 4.39Å; F95-V135 HydrophobicContact CD1-CG1 3.73Å; F95-V135 HydrophobicContact CD2-CG1 3.7Å; F95-V135 HydrophobicContact CE1-CG1 3.88Å; F95-V135 HydrophobicContact CE2-CG1 3.85Å; F95-V135 HydrophobicContact CG-CG1 3.62Å; F95-V135 HydrophobicContact CZ-CG1 3.93Å; F95-L138 HydrophobicContact CB-CD1 3.59Å; F95-Y140 HydrophobicContact CB-CE2 4.44Å; F95-Y140 HydrophobicContact CD1-CD2 4.12Å; F95-Y140 AromaticContact CD1-CE1 3.99Å; F95-Y140 HydrophobicContact CD1-CE1 3.99Å; F95-Y140 AromaticContact CD1-CE2 3.45Å; F95-Y140 HydrophobicContact CD1-CE2 3.45Å; F95-Y140 VanDerWaalsContact CD1-CE2 3.45Å; F95-Y140 AromaticContact CD1-CZ 3.37Å; F95-Y140 WeakPolarHBondContact CD1-OH 3.35Å; F95-Y140 HydrophobicContact CE1-CD1 4.36Å; F95-Y140 AromaticContact CE1-CE1 3.87Å; F95-Y140 HydrophobicContact CE1-CE1 3.87Å; F95-Y140 HydrophobicContact CE1-CE2 4.13Å; F95-Y140 AromaticContact CE1-CZ 3.75Å; F95-Y140 HydrophobicContact CG-CE2 4.41Å
96	K	95.6	Very high	96.3	Very high	117 Å²	117	62.6 Å²	62.6	51%	0.509	32%	0.321	S	S	.	.	H	α-helix	trans	-86.7	-19.6	170.6	-71.1	173.2	-173.5	171.4	0	114.1	E92 D93 A94 L138	E92-K96 HydrophobicContact CG-CD 4.39Å; E92-K96 WeakPolarHBondContact O-CG 3.47Å; E92-K96 PolarHBondContact O-N 2.95Å; E92-K96 WeakPolarHBondContact OE1-CE 3.45Å; E92-K96 IonicContact OE1-NZ 2.66Å; E92-K96 PolarHBondContact OE1-NZ 3.36Å; D93-K96 PolarHBondContact O-N 3.45Å; D93-K96 VanDerWaalsContact O-N 3.1Å; A94-K96 VanDerWaalsContact C-N 3.25Å; A94-K96 PolarHBondContact O-N 2.64Å; K96-L138 HydrophobicContact CG-CD1 4.42Å; K96-L138 HydrophobicContact CG-CD2 4.09Å
97	L	95.5	Very high	96.1	Very high	55 Å²	55	70.5 Å²	70.5	29%	0.288	36%	0.356	S	S	.	.	S	Bend	trans	-59.6	152.1	177.3	-66.6	173.8	0	0	0	112	D93 A94 F102 K105 Y106 K110	D93-L97 WeakPolarHBondContact O-CG 3.46Å; D93-L97 PolarHBondContact O-N 3.38Å; A94-L97 WeakPolarHBondContact O-CB 3.46Å; A94-L97 PolarHBondContact O-N 2.79Å; L97-F102 HydrophobicContact CB-CB 4.29Å; L97-K105 HydrophobicContact CD1-CD 4.45Å; L97-Y106 HydrophobicContact CD1-CE2 4.31Å; L97-K110 PolarHBondContact O-NZ 2.78Å
98	D	95.7	Very high	95.9	Very high	88 Å²	88	71.4 Å²	71.4	47%	0.471	36%	0.358	S	S	.	.			trans	-66.1	163.5	166.2	67.2	91.8	0	0	0	111.3	K100 S101 F102	D98-K100 VanDerWaalsContact C-N 3.25Å; D98-K100 PolarHBondContact O-N 2.88Å; D98-K100 WeakPolarHBondContact OD1-CA 3.44Å; D98-K100 VanDerWaalsContact OD1-CB 3.29Å; D98-K100 WeakPolarHBondContact OD1-CB 3.5Å; D98-K100 PolarHBondContact OD1-N 2.79Å; D98-S101 PolarHBondContact O-N 2.75Å; D98-S101 PolarHBondContact OD1-N 3.36Å; D98-S101 WeakPolarHBondContact OD2-CB 3.49Å; D98-S101 PolarHBondContact OD2-OG 3.36Å; D98-F102 WeakPolarHBondContact O-CB 3.46Å; D98-F102 PolarHBondContact O-N 3.02Å
99	E	95.3	Very high	95.7	Very high	147 Å²	147	76.1 Å²	76.1	69%	0.687	38%	0.379	S	S	*	.	H	α-helix	trans	-59.1	-35.2	-176	-65	-178.1	-174.7	0	0	113.1	L103	E99-L103 VanDerWaalsContact O-CB 3.28Å; E99-L103 WeakPolarHBondContact O-CB 3.19Å; E99-L103 PolarHBondContact O-N 3.3Å
100	K	96.1	Very high	95.6	Very high	139 Å²	139	74.8 Å²	74.8	60%	0.604	35%	0.354	S	S	*	.	H	α-helix	trans	-73.3	-49.9	-177.8	-178.7	-174	171.5	-172.9	0	110.4	D98 F102 L103 E104	D98-K100 VanDerWaalsContact C-N 3.25Å; D98-K100 PolarHBondContact O-N 2.88Å; D98-K100 WeakPolarHBondContact OD1-CA 3.44Å; D98-K100 VanDerWaalsContact OD1-CB 3.29Å; D98-K100 WeakPolarHBondContact OD1-CB 3.5Å; D98-K100 PolarHBondContact OD1-N 2.79Å; K100-F102 VanDerWaalsContact C-N 3.31Å; K100-F102 PolarHBondContact O-N 2.95Å; K100-L103 PolarHBondContact O-N 3.45Å; K100-E104 WeakPolarHBondContact CE-OE1 3.19Å; K100-E104 WeakPolarHBondContact O-CB 3.46Å; K100-E104 WeakPolarHBondContact O-CG 3.32Å; K100-E104 PolarHBondContact O-N 2.89Å
101	S	96.4	Very high	95.5	Very high	45 Å²	45	71.4 Å²	71.4	32%	0.315	34%	0.339	S	S	.	.	H	α-helix	trans	-63.4	-36.8	177.5	-72	0	0	0	0	112.6	D98 E104 K105	D98-S101 PolarHBondContact O-N 2.75Å; D98-S101 PolarHBondContact OD1-N 3.36Å; D98-S101 WeakPolarHBondContact OD2-CB 3.49Å; D98-S101 PolarHBondContact OD2-OG 3.36Å; S101-E104 PolarHBondContact O-N 3.42Å; S101-K105 WeakPolarHBondContact O-CB 3.43Å; S101-K105 PolarHBondContact O-N 3.24Å
102	F	97	Very high	95.3	Very high	0 Å²	0	75.6 Å²	75.6	0%	0	36%	0.361	C	S	.	.	H	α-helix	trans	-61.9	-47.6	173.5	-174.8	-81.4	0	0	0	111.7	I86 A94 L97 D98 K100 E104 K105 Y106 F108 K110	I86-F102 HydrophobicContact CD1-CE2 4.01Å; I86-F102 HydrophobicContact CD1-CZ 3.78Å; A94-F102 HydrophobicContact CB-CD2 4.49Å; A94-F102 HydrophobicContact CB-CE2 4.16Å; A94-F102 VanDerWaalsContact O-CD2 3.27Å; A94-F102 WeakPolarHBondContact O-CD2 3.36Å; L97-F102 HydrophobicContact CB-CB 4.29Å; D98-F102 WeakPolarHBondContact O-CB 3.46Å; D98-F102 PolarHBondContact O-N 3.02Å; K100-F102 VanDerWaalsContact C-N 3.31Å; K100-F102 PolarHBondContact O-N 2.95Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.47Å; F102-K105 PolarHBondContact O-N 2.83Å; F102-Y106 HydrophobicContact CD1-CD2 4.27Å; F102-Y106 AromaticContact CD2-CD2 3.71Å; F102-Y106 HydrophobicContact CD2-CD2 3.71Å; F102-Y106 AromaticContact CD2-CE2 3.96Å; F102-Y106 HydrophobicContact CD2-CE2 3.96Å; F102-Y106 HydrophobicContact CE1-CD2 4.23Å; F102-Y106 AromaticContact CE2-CD2 3.69Å; F102-Y106 HydrophobicContact CE2-CD2 3.69Å; F102-Y106 AromaticContact CE2-CE2 3.99Å; F102-Y106 HydrophobicContact CE2-CE2 3.99Å; F102-Y106 HydrophobicContact CG-CD2 4.03Å; F102-Y106 AromaticContact CZ-CD2 3.96Å; F102-Y106 HydrophobicContact CZ-CD2 3.96Å; F102-Y106 PolarHBondContact O-N 3.33Å; F102-F108 WeakPolarHBondContact CD1-O 3Å; F102-F108 HydrophobicContact CE1-CB 4.17Å; F102-F108 AromaticContact CE1-CD1 3.72Å; F102-F108 HydrophobicContact CE1-CD1 3.72Å; F102-F108 HydrophobicContact CE1-CG 4.39Å; F102-F108 WeakPolarHBondContact CE1-O 3.39Å; F102-F108 HydrophobicContact CZ-CD1 4.05Å; F102-K110 HydrophobicContact CB-CB 4.06Å; F102-K110 HydrophobicContact CB-CD 4.24Å; F102-K110 HydrophobicContact CB-CG 4.31Å; F102-K110 VanDerWaalsContact CD1-CA 3.43Å; F102-K110 HydrophobicContact CD1-CB 3.5Å; F102-K110 VanDerWaalsContact CD1-CB 3.5Å; F102-K110 HydrophobicContact CD1-CG 4.05Å; F102-K110 HydrophobicContact CD2-CB 4.29Å; F102-K110 HydrophobicContact CD2-CD 4.32Å; F102-K110 HydrophobicContact CD2-CG 3.95Å; F102-K110 VanDerWaalsContact CE1-CA 3.42Å; F102-K110 HydrophobicContact CE1-CB 3.97Å; F102-K110 HydrophobicContact CE1-CG 4.37Å; F102-K110 HydrophobicContact CE2-CG 4.25Å; F102-K110 HydrophobicContact CG-CB 3.68Å; F102-K110 HydrophobicContact CG-CD 4.23Å; F102-K110 HydrophobicContact CG-CG 3.83Å; F102-K110 HydrophobicContact CZ-CG 4.45Å
103	L	96.1	Very high	95.1	Very high	92 Å²	92	74.3 Å²	74.3	48%	0.482	36%	0.359	S	S	.	.	H	α-helix	trans	-63.1	-40.5	178.6	-179.7	63.5	0	0	0	111.8	E99 K100 K107 F108	E99-L103 VanDerWaalsContact O-CB 3.28Å; E99-L103 WeakPolarHBondContact O-CB 3.19Å; E99-L103 PolarHBondContact O-N 3.3Å; K100-L103 PolarHBondContact O-N 3.45Å; L103-K107 WeakPolarHBondContact O-CA 3.34Å; L103-K107 PolarHBondContact O-N 3.07Å; L103-F108 WeakPolarHBondContact CA-O 3.49Å; L103-F108 WeakPolarHBondContact CD1-O 3.41Å
104	E	96.3	Very high	94.8	Very high	105 Å²	105	72 Å²	72	49%	0.491	35%	0.354	S	S	.	.	H	α-helix	trans	-65.4	-41.1	177.8	-76.3	176.4	-177.3	0	0	112.3	K100 S101 F102 K107	K100-E104 WeakPolarHBondContact CE-OE1 3.19Å; K100-E104 WeakPolarHBondContact O-CB 3.46Å; K100-E104 WeakPolarHBondContact O-CG 3.32Å; K100-E104 PolarHBondContact O-N 2.89Å; S101-E104 PolarHBondContact O-N 3.42Å; F102-E104 VanDerWaalsContact C-N 3.34Å; F102-E104 PolarHBondContact O-N 3.47Å; E104-K107 WeakPolarHBondContact O-CD 3.27Å; E104-K107 VanDerWaalsContact O-CE 3.26Å; E104-K107 WeakPolarHBondContact O-CE 3.34Å; E104-K107 PolarHBondContact O-NZ 3.24Å
105	K	95.8	Very high	94.5	Very high	115 Å²	115	73.8 Å²	73.8	50%	0.5	36%	0.364	S	S	.	.	H	α-helix	trans	-75.5	-52.8	-177.9	-171.7	176.6	177.8	-162.4	0	112.7	E90 L97 S101 F102	E90-K105 WeakPolarHBondContact OE2-CE 3.45Å; E90-K105 IonicContact OE2-NZ 2.64Å; E90-K105 PolarHBondContact OE2-NZ 2.97Å; L97-K105 HydrophobicContact CD1-CD 4.45Å; S101-K105 WeakPolarHBondContact O-CB 3.43Å; S101-K105 PolarHBondContact O-N 3.24Å; F102-K105 PolarHBondContact O-N 2.83Å
106	Y	95.1	Very high	94.1	Very high	26 Å²	26	79.8 Å²	79.8	10%	0.102	39%	0.39	C	S	.	.	H	α-helix	trans	-97.6	-3.5	-171.6	-58.1	-68.1	0	0	0	114	I86 E90 A94 L97 F102 F108	I86-Y106 HydrophobicContact CB-CE1 4.42Å; I86-Y106 HydrophobicContact CD1-CD1 4.29Å; I86-Y106 HydrophobicContact CD1-CD2 4.29Å; I86-Y106 HydrophobicContact CD1-CE1 4.49Å; I86-Y106 HydrophobicContact CD1-CE2 4.47Å; I86-Y106 HydrophobicContact CD1-CG 4.19Å; I86-Y106 HydrophobicContact CG1-CD1 3.78Å; I86-Y106 HydrophobicContact CG1-CE1 3.91Å; I86-Y106 HydrophobicContact CG1-CG 4.17Å; I86-Y106 HydrophobicContact CG2-CE1 4.15Å; E90-Y106 PolarHBondContact OE2-OH 2.86Å; A94-Y106 HydrophobicContact CB-CE2 3.5Å; A94-Y106 WeakPolarHBondContact CB-OH 3.36Å; L97-Y106 HydrophobicContact CD1-CE2 4.31Å; F102-Y106 HydrophobicContact CD1-CD2 4.27Å; F102-Y106 AromaticContact CD2-CD2 3.71Å; F102-Y106 HydrophobicContact CD2-CD2 3.71Å; F102-Y106 AromaticContact CD2-CE2 3.96Å; F102-Y106 HydrophobicContact CD2-CE2 3.96Å; F102-Y106 HydrophobicContact CE1-CD2 4.23Å; F102-Y106 AromaticContact CE2-CD2 3.69Å; F102-Y106 HydrophobicContact CE2-CD2 3.69Å; F102-Y106 AromaticContact CE2-CE2 3.99Å; F102-Y106 HydrophobicContact CE2-CE2 3.99Å; F102-Y106 HydrophobicContact CG-CD2 4.03Å; F102-Y106 AromaticContact CZ-CD2 3.96Å; F102-Y106 HydrophobicContact CZ-CD2 3.96Å; F102-Y106 PolarHBondContact O-N 3.33Å; Y106-F108 PolarHBondContact O-N 2.88Å; Y106-F108 VanDerWaalsContact O-N 3.12Å
107	K	93.7	Very high	93.9	Very high	167 Å²	167	76.2 Å²	76.2	73%	0.726	38%	0.377	S	S	*	.	S	Bend	trans	51.9	33.9	-175	-52.2	-52.3	-173.8	-163	0	112.3	L103 E104	L103-K107 WeakPolarHBondContact O-CA 3.34Å; L103-K107 PolarHBondContact O-N 3.07Å; E104-K107 WeakPolarHBondContact O-CD 3.27Å; E104-K107 VanDerWaalsContact O-CE 3.26Å; E104-K107 WeakPolarHBondContact O-CE 3.34Å; E104-K107 PolarHBondContact O-NZ 3.24Å
108	F	92.8	Very high	93.9	Very high	28 Å²	28	73.7 Å²	73.7	12%	0.123	36%	0.364	C	S	.	.	S	Bend	trans	-137.4	141.2	-172.9	-175.9	-121.2	0	0	0	109.7	K64 I66 V84 F102 L103 Y106 K110 P111	K64-F108 HydrophobicContact CB-CE1 4.31Å; K64-F108 HydrophobicContact CB-CZ 3.74Å; K64-F108 HydrophobicContact CD-CE1 4.22Å; K64-F108 HydrophobicContact CD-CE2 3.98Å; K64-F108 HydrophobicContact CD-CZ 3.42Å; K64-F108 VanDerWaalsContact CD-CZ 3.42Å; K64-F108 HydrophobicContact CG-CZ 4.13Å; I66-F108 HydrophobicContact CG1-CE1 4.39Å; V84-F108 HydrophobicContact CB-CB 4.4Å; V84-F108 HydrophobicContact CB-CD1 4.45Å; V84-F108 HydrophobicContact CB-CD2 4.47Å; V84-F108 HydrophobicContact CB-CG 4.22Å; V84-F108 HydrophobicContact CG1-CB 3.98Å; V84-F108 HydrophobicContact CG1-CG 4.28Å; V84-F108 HydrophobicContact CG2-CB 3.9Å; V84-F108 HydrophobicContact CG2-CD1 4.32Å; V84-F108 HydrophobicContact CG2-CD2 3.52Å; V84-F108 HydrophobicContact CG2-CE2 4.05Å; V84-F108 HydrophobicContact CG2-CG 3.67Å; F102-F108 WeakPolarHBondContact CD1-O 3Å; F102-F108 HydrophobicContact CE1-CB 4.17Å; F102-F108 AromaticContact CE1-CD1 3.72Å; F102-F108 HydrophobicContact CE1-CD1 3.72Å; F102-F108 HydrophobicContact CE1-CG 4.39Å; F102-F108 WeakPolarHBondContact CE1-O 3.39Å; F102-F108 HydrophobicContact CZ-CD1 4.05Å; L103-F108 WeakPolarHBondContact CA-O 3.49Å; L103-F108 WeakPolarHBondContact CD1-O 3.41Å; Y106-F108 PolarHBondContact O-N 2.88Å; Y106-F108 VanDerWaalsContact O-N 3.12Å; F108-K110 PolarHBondContact O-N 2.81Å; F108-P111 HydrophobicContact CE1-CG 4.19Å
109	Q	92.9	Very high	93.9	Very high	130 Å²	130	69.5 Å²	69.5	61%	0.607	34%	0.341	S	S	*	.	P	Polyproline II helix	trans	-70	123.9	175.3	-174.9	-176.7	29.3	0	0	109.1
110	K	94.2	Very high	94	Very high	41 Å²	41	62.5 Å²	62.5	18%	0.178	31%	0.309	C	S	.	.	P	Polyproline II helix	trans	-55.4	128	176.4	-168	-179.5	177.1	-174.9	0	109.9	F95 L97 F102 F108 Y140	F95-K110 VanDerWaalsContact O-CE 3.23Å; F95-K110 WeakPolarHBondContact O-CE 3.22Å; F95-K110 PolarHBondContact O-NZ 3.22Å; L97-K110 PolarHBondContact O-NZ 2.78Å; F102-K110 HydrophobicContact CB-CB 4.06Å; F102-K110 HydrophobicContact CB-CD 4.24Å; F102-K110 HydrophobicContact CB-CG 4.31Å; F102-K110 VanDerWaalsContact CD1-CA 3.43Å; F102-K110 HydrophobicContact CD1-CB 3.5Å; F102-K110 VanDerWaalsContact CD1-CB 3.5Å; F102-K110 HydrophobicContact CD1-CG 4.05Å; F102-K110 HydrophobicContact CD2-CB 4.29Å; F102-K110 HydrophobicContact CD2-CD 4.32Å; F102-K110 HydrophobicContact CD2-CG 3.95Å; F102-K110 VanDerWaalsContact CE1-CA 3.42Å; F102-K110 HydrophobicContact CE1-CB 3.97Å; F102-K110 HydrophobicContact CE1-CG 4.37Å; F102-K110 HydrophobicContact CE2-CG 4.25Å; F102-K110 HydrophobicContact CG-CB 3.68Å; F102-K110 HydrophobicContact CG-CD 4.23Å; F102-K110 HydrophobicContact CG-CG 3.83Å; F102-K110 HydrophobicContact CZ-CG 4.45Å; F108-K110 PolarHBondContact O-N 2.81Å; K110-Y140 WeakPolarHBondContact CE-OH 3.48Å
111	P	94.3	Very high	94.1	Very high	2 Å²	2	55.9 Å²	55.9	1%	0.013	28%	0.28	C	S	.	.	P	Polyproline II helix	trans	-62.1	141.6	173.2	-21.2	32.7	0	0	0	111.2	K64 I66 F95 F108 D115 V118 Y140	K64-P111 HydrophobicContact CB-CG 4.27Å; K64-P111 HydrophobicContact CG-CG 4.41Å; I66-P111 HydrophobicContact CD1-CG 4.37Å; F95-P111 HydrophobicContact CE1-CG 4.22Å; F95-P111 HydrophobicContact CZ-CG 4.39Å; F108-P111 HydrophobicContact CE1-CG 4.19Å; P111-D115 WeakPolarHBondContact CA-OD2 3.29Å; P111-V118 HydrophobicContact CB-CG1 4.36Å; P111-V118 HydrophobicContact CB-CG2 3.61Å; P111-V118 HydrophobicContact CG-CG1 4.22Å; P111-V118 HydrophobicContact CG-CG2 4.26Å; P111-Y140 HydrophobicContact CB-CE1 4.06Å; P111-Y140 VanDerWaalsContact O-CE1 3.26Å; P111-Y140 WeakPolarHBondContact O-CE1 3.11Å; P111-Y140 PolarHBondContact O-OH 3.35Å
112	N	93.4	Very high	94	Very high	87 Å²	87	53.8 Å²	53.8	47%	0.465	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-76.5	153.5	170.9	-166.3	-69.7	0	0	0	110.2	A114 D115 Y140	N112-A114 PolarHBondContact O-N 2.83Å; N112-A114 PolarHBondContact OD1-N 3.1Å; N112-D115 PolarHBondContact N-OD2 2.83Å; N112-D115 WeakPolarHBondContact O-CB 3.49Å; N112-D115 PolarHBondContact O-N 2.82Å; N112-Y140 WeakPolarHBondContact O-CE1 3.15Å
113	V	91.8	Very high	93.9	Very high	64 Å²	64	60.5 Å²	60.5	39%	0.388	29%	0.29	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-33.8	175.9	-176.1	0	0	0	0	112.1	G139 E141	V113-G139 WeakPolarHBondContact CG1-O 3.39Å; V113-E141 PolarHBondContact O-N 2.97Å; V113-E141 VanDerWaalsContact O-N 3.11Å
114	A	89.8	Confident	93.8	Very high	56 Å²	56	59.3 Å²	59.3	46%	0.463	29%	0.289	S	S	.	.	T	Hydrogen-bonded Turn	trans	-88.6	-2.2	179.8	0	0	0	0	0	114.5	N112 K116	N112-A114 PolarHBondContact O-N 2.83Å; N112-A114 PolarHBondContact OD1-N 3.1Å; A114-K116 PolarHBondContact O-N 2.91Å
115	D	90.4	Very high	93.6	Very high	38 Å²	38	54.6 Å²	54.6	20%	0.203	27%	0.269	C	S	.	.			trans	-65.1	133.8	-178.7	-75.8	-11.1	0	0	0	110.7	P111 N112 V118	P111-D115 WeakPolarHBondContact CA-OD2 3.29Å; N112-D115 PolarHBondContact N-OD2 2.83Å; N112-D115 WeakPolarHBondContact O-CB 3.49Å; N112-D115 PolarHBondContact O-N 2.82Å; D115-V118 HydrophobicContact CB-CG2 3.71Å
116	K	88	Confident	93.5	Very high	134 Å²	134	52.9 Å²	52.9	58%	0.583	27%	0.268	S	S	*	.	S	Bend	trans	-96.2	-8.9	-177.5	-64.3	178.5	-176.4	171.1	0	114	A114 N142	A114-K116 PolarHBondContact O-N 2.91Å; K116-N142 HydrophobicContact CG-CB 4.36Å
117	N	90.7	Very high	93.6	Very high	42 Å²	42	54.3 Å²	54.3	23%	0.225	27%	0.273	C	S	.	.			trans	-115.9	32	-169.6	-62.7	-40.4	0	0	0	111.9	M57 D62 K64	M57-N117 HydrophobicContact CE-CB 3.92Å; M57-N117 WeakPolarHBondContact CE-OD1 3.23Å; D62-N117 WeakPolarHBondContact O-CB 3.49Å; D62-N117 PolarHBondContact OD2-ND2 3.27Å; K64-N117 PolarHBondContact N-O 2.87Å
118	V	95.3	Very high	93.7	Very high	2 Å²	2	46.3 Å²	46.3	1%	0.012	24%	0.239	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.7	108.8	177.4	-170.4	0	0	0	0	109.4	K64 I66 P111 D115 F120 L144	K64-V118 HydrophobicContact CB-CG2 4.37Å; K64-V118 WeakPolarHBondContact O-CA 3.42Å; I66-V118 HydrophobicContact CD1-CG1 4.23Å; P111-V118 HydrophobicContact CB-CG1 4.36Å; P111-V118 HydrophobicContact CB-CG2 3.61Å; P111-V118 HydrophobicContact CG-CG1 4.22Å; P111-V118 HydrophobicContact CG-CG2 4.26Å; D115-V118 HydrophobicContact CB-CG2 3.71Å; V118-F120 HydrophobicContact CG1-CE2 3.79Å; V118-F120 HydrophobicContact CG1-CZ 4.01Å; V118-L144 PolarHBondContact O-N 3.24Å
119	V	96.6	Very high	93.8	Very high	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.9	127.7	-176.3	-179.6	0	0	0	0	109.9	I49 L54 M57 L63 K64 L65 I66 L144 L146	I49-V119 HydrophobicContact CD1-CB 4.34Å; I49-V119 HydrophobicContact CD1-CG1 3.68Å; I49-V119 HydrophobicContact CD1-CG2 3.64Å; I49-V119 HydrophobicContact CG1-CG1 4.39Å; L54-V119 HydrophobicContact CD1-CG1 4.26Å; L54-V119 HydrophobicContact CD1-CG2 4.43Å; M57-V119 HydrophobicContact CE-CG2 3.85Å; M57-V119 HydrophobicContact SD-CG2 4.29Å; L63-V119 HydrophobicContact CD1-CB 4.21Å; L63-V119 HydrophobicContact CD1-CG2 3.56Å; K64-V119 PolarHBondContact O-N 3.36Å; L65-V119 WeakPolarHBondContact CA-O 3.32Å; L65-V119 HydrophobicContact CD1-CB 3.8Å; L65-V119 HydrophobicContact CD1-CG1 3.63Å; I66-V119 PolarHBondContact N-O 3.22Å; V119-L144 CarbonylContact C-O 3.54Å; V119-L144 WeakPolarHBondContact CA-O 3.41Å; V119-L144 HydrophobicContact CG2-CB 4.1Å; V119-L144 HydrophobicContact CG2-CD1 4.12Å; V119-L146 HydrophobicContact CG1-CB 4.25Å
120	F	97.4	Very high	94	Very high	0 Å²	0	50.9 Å²	50.9	0%	0	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	136.6	171	-64.3	-85.9	0	0	0	110.7	I66 V68 F95 V118 S128 A131 L132 V135 P143 L144 L146	I66-F120 HydrophobicContact CB-CD1 3.93Å; I66-F120 HydrophobicContact CB-CE1 4.06Å; I66-F120 HydrophobicContact CD1-CD1 4.5Å; I66-F120 HydrophobicContact CD1-CE1 3.81Å; I66-F120 HydrophobicContact CD1-CZ 4.12Å; I66-F120 HydrophobicContact CG2-CD1 4Å; I66-F120 HydrophobicContact CG2-CE1 4.02Å; I66-F120 CarbonylContact O-C 3.58Å; I66-F120 WeakPolarHBondContact O-CA 3.24Å; V68-F120 HydrophobicContact CG1-CD1 3.84Å; F95-F120 HydrophobicContact CE1-CZ 4.45Å; F95-F120 HydrophobicContact CE2-CE1 4.03Å; F95-F120 HydrophobicContact CE2-CZ 4.05Å; F95-F120 HydrophobicContact CZ-CE1 4.01Å; F95-F120 AromaticContact CZ-CZ 3.65Å; F95-F120 HydrophobicContact CZ-CZ 3.65Å; V118-F120 HydrophobicContact CG1-CE2 3.79Å; V118-F120 HydrophobicContact CG1-CZ 4.01Å; F120-S128 WeakPolarHBondContact O-CB 3.49Å; F120-A131 HydrophobicContact CD1-CB 3.86Å; F120-A131 HydrophobicContact CE1-CB 4.26Å; F120-A131 HydrophobicContact CG-CB 4.29Å; F120-L132 HydrophobicContact CD2-CB 4.39Å; F120-V135 HydrophobicContact CE2-CG2 3.64Å; F120-V135 HydrophobicContact CZ-CB 4.41Å; F120-V135 HydrophobicContact CZ-CG1 3.86Å; F120-V135 HydrophobicContact CZ-CG2 3.74Å; F120-P143 HydrophobicContact CD2-CB 4.25Å; F120-P143 HydrophobicContact CE2-CB 3.8Å; F120-L144 PolarHBondContact N-O 2.89Å; F120-L146 PolarHBondContact O-N 2.84Å
121	S	97.3	Very high	94.1	Very high	0 Å²	0	48.9 Å²	48.9	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.2	151.8	174.3	-176.7	0	0	0	0	110.3	I66 D67 V68	I66-S121 PolarHBondContact O-N 3.45Å; D67-S121 WeakPolarHBondContact CA-O 3.23Å; V68-S121 WeakPolarHBondContact CG2-O 3.4Å; V68-S121 PolarHBondContact N-O 3.2Å
122	C	95.4	Very high	94.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	25%	0.248	C	C	.	.			trans	-142.3	-154.3	167.3	67.6	0	0	0	0	109.6	V68 R69 G125 V126 R127 S128 G149 Y150	V68-C122 HydrophobicContact CG2-CB 3.73Å; R69-C122 HydrophobicContact CG-CB 4.21Å; C122-G125 VanDerWaalsContact SG-C 3.5Å; C122-G125 WeakPolarHBondContact SG-CA 3.26Å; C122-G125 PolarHBondContact SG-N 3Å; C122-V126 PolarHBondContact SG-N 3.26Å; C122-R127 HydrophobicContact CB-CB 3.72Å; C122-R127 PolarHBondContact SG-N 2.84Å; C122-R127 VanDerWaalsContact SG-N 3.38Å; C122-S128 PolarHBondContact SG-N 2.87Å; C122-S128 PolarHBondContact SG-OG 2.68Å; C122-S128 VanDerWaalsContact SG-OG 3.36Å; C122-G149 CarbonylContact O-C 3.59Å; C122-G149 WeakPolarHBondContact O-CA 3.37Å; C122-Y150 WeakPolarHBondContact O-CB 3.5Å; C122-Y150 PolarHBondContact O-N 3.33Å
123	R	95.1	Very high	94.3	Very high	142 Å²	142	50.9 Å²	50.9	54%	0.536	25%	0.251	S	S	.	.	S	Bend	trans	-67.1	-46.9	177	-171.3	173.8	178.1	-172.5	-1.2	113.4	Y150 N151	R123-Y150 PolarHBondContact O-N 3.11Å; R123-N151 PolarHBondContact O-N 2.57Å; R123-N151 VanDerWaalsContact O-N 3.11Å; R123-N151 PolarHBondContact O-OD1 2.76Å
124	S	93.8	Very high	94.5	Very high	66 Å²	66	49.9 Å²	49.9	46%	0.462	24%	0.243	S	C	.	.	S	Bend	trans	-129.4	-7.3	-171.1	59.6	0	0	0	0	115.6	G148	S124-G148 CarbonylContact O-C 3.52Å; S124-G148 VanDerWaalsContact O-CA 3.29Å; S124-G148 WeakPolarHBondContact O-CA 3.5Å
125	G	92.6	Very high	94.8	Very high	6 Å²	6	47.2 Å²	47.2	6%	0.062	22%	0.221	C	C	.	.	S	Bend	trans	109.4	-16.9	-176.7	0	0	0	0	0	115.3	C122 S128 M129 N145	C122-G125 VanDerWaalsContact SG-C 3.5Å; C122-G125 WeakPolarHBondContact SG-CA 3.26Å; C122-G125 PolarHBondContact SG-N 3Å; G125-S128 VanDerWaalsContact C-OG 3.3Å; G125-S128 WeakPolarHBondContact CA-OG 3.47Å; G125-S128 PolarHBondContact O-OG 3.36Å; G125-M129 PolarHBondContact O-N 2.86Å; G125-N145 PolarHBondContact O-OD1 2.73Å
126	V	93.4	Very high	95	Very high	79 Å²	79	48.6 Å²	48.6	48%	0.479	23%	0.226	S	C	.	.	H	α-helix	trans	-73.2	-44.1	-173.2	-179.9	0	0	0	0	113.1	C122 R130	C122-V126 PolarHBondContact SG-N 3.26Å; V126-R130 PolarHBondContact O-N 3.01Å
127	R	96.3	Very high	95.4	Very high	56 Å²	56	47.9 Å²	47.9	21%	0.211	23%	0.228	C	C	.	.	H	α-helix	trans	-71.5	-36.7	180	-70.9	-179.2	-82.9	175.5	-6.2	111.7	V68 E73 L88 C122 M129 R130 A131	V68-R127 HydrophobicContact CG2-CB 3.85Å; E73-R127 VanDerWaalsContact CD-NH2 3.31Å; E73-R127 IonicContact OE1-CZ 3.93Å; E73-R127 IonicContact OE1-NH2 2.88Å; E73-R127 PolarHBondContact OE1-NH2 2.98Å; E73-R127 IonicContact OE2-CZ 3.03Å; E73-R127 VanDerWaalsContact OE2-CZ 3.23Å; E73-R127 IonicContact OE2-NH1 2.72Å; E73-R127 PolarHBondContact OE2-NH1 3.11Å; E73-R127 IonicContact OE2-NH2 3.01Å; E73-R127 PolarHBondContact OE2-NH2 3.45Å; L88-R127 HydrophobicContact CD2-CB 4.08Å; L88-R127 HydrophobicContact CD2-CG 4.03Å; C122-R127 HydrophobicContact CB-CB 3.72Å; C122-R127 PolarHBondContact SG-N 2.84Å; C122-R127 VanDerWaalsContact SG-N 3.38Å; R127-M129 VanDerWaalsContact C-N 3.33Å; R127-M129 PolarHBondContact O-N 2.74Å; R127-R130 WeakPolarHBondContact O-CB 3.5Å; R127-R130 PolarHBondContact O-N 3.21Å; R127-R130 VanDerWaalsContact O-N 3.11Å; R127-A131 PolarHBondContact O-N 2.79Å
128	S	96	Very high	95.6	Very high	0 Å²	0	48.8 Å²	48.8	0%	0	23%	0.233	C	C	.	.	H	α-helix	trans	-64.6	-36.2	176.4	41.8	0	0	0	0	112.1	F120 C122 G125 R130 A131 L132 N145	F120-S128 WeakPolarHBondContact O-CB 3.49Å; C122-S128 PolarHBondContact SG-N 2.87Å; C122-S128 PolarHBondContact SG-OG 2.68Å; C122-S128 VanDerWaalsContact SG-OG 3.36Å; G125-S128 VanDerWaalsContact C-OG 3.3Å; G125-S128 WeakPolarHBondContact CA-OG 3.47Å; G125-S128 PolarHBondContact O-OG 3.36Å; S128-R130 VanDerWaalsContact C-N 3.32Å; S128-R130 PolarHBondContact O-N 3.21Å; S128-A131 PolarHBondContact O-N 3.03Å; S128-L132 VanDerWaalsContact O-CB 3.28Å; S128-L132 WeakPolarHBondContact O-CB 3.43Å; S128-L132 PolarHBondContact O-N 2.72Å; S128-N145 WeakPolarHBondContact CB-OD1 3.38Å; S128-N145 PolarHBondContact OG-OD1 3.04Å
129	M	94.9	Very high	95.6	Very high	97 Å²	97	50.5 Å²	50.5	48%	0.478	25%	0.251	S	S	.	.	H	α-helix	trans	-62.1	-36.7	170.2	-77.9	-147.7	-64.1	0	0	113.3	G125 R127 K133 N145	G125-M129 PolarHBondContact O-N 2.86Å; R127-M129 VanDerWaalsContact C-N 3.33Å; R127-M129 PolarHBondContact O-N 2.74Å; M129-K133 PolarHBondContact O-N 2.89Å; M129-N145 HydrophobicContact CG-CB 4.29Å; M129-N145 WeakPolarHBondContact CG-ND2 3.15Å
130	R	96.4	Very high	95.5	Very high	156 Å²	156	51.2 Å²	51.2	59%	0.589	25%	0.254	S	S	*	.	H	α-helix	trans	-67.4	-44.7	174.5	-65	-179.3	-177.7	179.4	-0.6	111.5	L88 V126 R127 S128 L132 K133 I134	L88-R130 HydrophobicContact CD1-CB 4Å; L88-R130 HydrophobicContact CD2-CB 4.31Å; V126-R130 PolarHBondContact O-N 3.01Å; R127-R130 WeakPolarHBondContact O-CB 3.5Å; R127-R130 PolarHBondContact O-N 3.21Å; R127-R130 VanDerWaalsContact O-N 3.11Å; S128-R130 VanDerWaalsContact C-N 3.32Å; S128-R130 PolarHBondContact O-N 3.21Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 2.91Å; R130-K133 WeakPolarHBondContact O-CB 3.44Å; R130-K133 PolarHBondContact O-N 3.12Å; R130-I134 WeakPolarHBondContact O-CG1 3.3Å; R130-I134 PolarHBondContact O-N 3.11Å
131	A	97.3	Very high	95.2	Very high	0 Å²	0	57.6 Å²	57.6	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-59.8	-42.5	175.3	0	0	0	0	0	111.9	V68 L88 V91 F120 R127 S128 K133 I134 V135	V68-A131 HydrophobicContact CB-CB 4.43Å; V68-A131 HydrophobicContact CG1-CB 3.74Å; V68-A131 HydrophobicContact CG2-CB 4.36Å; L88-A131 HydrophobicContact CD1-CB 3.87Å; V91-A131 HydrophobicContact CG1-CB 4.15Å; V91-A131 HydrophobicContact CG2-CB 4.06Å; F120-A131 HydrophobicContact CD1-CB 3.86Å; F120-A131 HydrophobicContact CE1-CB 4.26Å; F120-A131 HydrophobicContact CG-CB 4.29Å; R127-A131 PolarHBondContact O-N 2.79Å; S128-A131 PolarHBondContact O-N 3.03Å; A131-K133 PolarHBondContact O-N 3.01Å; A131-I134 WeakPolarHBondContact O-CB 3.2Å; A131-I134 PolarHBondContact O-N 3.48Å; A131-V135 PolarHBondContact O-N 3.36Å
132	L	95.9	Very high	94.9	Very high	10 Å²	10	58.9 Å²	58.9	5%	0.052	29%	0.291	C	S	.	.	H	α-helix	trans	-56.6	-48.8	174.3	-178.2	152.1	0	0	0	111.2	V47 F120 S128 R130 I134 V135 Q136 P143 N145	V47-L132 HydrophobicContact CB-CD1 4Å; F120-L132 HydrophobicContact CD2-CB 4.39Å; S128-L132 VanDerWaalsContact O-CB 3.28Å; S128-L132 WeakPolarHBondContact O-CB 3.43Å; S128-L132 PolarHBondContact O-N 2.72Å; R130-L132 VanDerWaalsContact C-N 3.3Å; R130-L132 PolarHBondContact O-N 2.91Å; L132-I134 PolarHBondContact O-N 3.11Å; L132-V135 VanDerWaalsContact O-CG2 3.24Å; L132-V135 WeakPolarHBondContact O-CG2 3.2Å; L132-V135 PolarHBondContact O-N 3.34Å; L132-Q136 HydrophobicContact CD2-CG 4.07Å; L132-Q136 WeakPolarHBondContact O-CG 3.48Å; L132-Q136 PolarHBondContact O-N 3.46Å; L132-P143 HydrophobicContact CD1-CB 4.27Å; L132-P143 HydrophobicContact CD1-CG 4.42Å; L132-P143 WeakPolarHBondContact CD1-O 3.45Å; L132-P143 HydrophobicContact CD2-CG 4.3Å; L132-P143 HydrophobicContact CG-CB 3.91Å; L132-P143 HydrophobicContact CG-CG 3.81Å; L132-N145 HydrophobicContact CD1-CB 3.87Å
133	K	95.5	Very high	94.8	Very high	120 Å²	120	59.1 Å²	59.1	52%	0.522	29%	0.292	S	S	.	.	H	α-helix	trans	-58.2	-46.9	177.2	-174.5	76.4	-175.8	176.1	0	111.6	M129 R130 A131 V135 Q136 D137	M129-K133 PolarHBondContact O-N 2.89Å; R130-K133 WeakPolarHBondContact O-CB 3.44Å; R130-K133 PolarHBondContact O-N 3.12Å; A131-K133 PolarHBondContact O-N 3.01Å; K133-V135 VanDerWaalsContact C-N 3.34Å; K133-V135 PolarHBondContact O-N 2.94Å; K133-Q136 WeakPolarHBondContact O-CB 3.37Å; K133-Q136 PolarHBondContact O-N 3.11Å; K133-D137 VanDerWaalsContact O-CG 3.25Å; K133-D137 PolarHBondContact O-N 3.33Å
134	I	96.7	Very high	94.9	Very high	44 Å²	44	53.5 Å²	53.5	23%	0.226	27%	0.273	C	S	.	.	H	α-helix	trans	-56.2	-48.3	178.5	-69.4	164.4	0	0	0	110.8	L88 V91 E92 R130 A131 L132 D137 L138	L88-I134 HydrophobicContact CD1-CD1 4.19Å; V91-I134 HydrophobicContact CG1-CG2 4.17Å; E92-I134 HydrophobicContact CB-CG2 3.71Å; E92-I134 HydrophobicContact CG-CG2 4.07Å; R130-I134 WeakPolarHBondContact O-CG1 3.3Å; R130-I134 PolarHBondContact O-N 3.11Å; A131-I134 WeakPolarHBondContact O-CB 3.2Å; A131-I134 PolarHBondContact O-N 3.48Å; L132-I134 PolarHBondContact O-N 3.11Å; I134-D137 PolarHBondContact O-N 2.79Å; I134-L138 WeakPolarHBondContact O-CG 3.25Å; I134-L138 PolarHBondContact O-N 3.2Å
135	V	96.2	Very high	95	Very high	0 Å²	0	50.6 Å²	50.6	0%	0	25%	0.252	C	S	.	.	H	α-helix	trans	-74.1	-29.8	-178.2	-58.5	0	0	0	0	112.9	V91 F95 F120 A131 L132 K133 D137 L138 G139 Y140 P143	V91-V135 HydrophobicContact CG1-CG1 3.82Å; F95-V135 HydrophobicContact CB-CG1 4.27Å; F95-V135 HydrophobicContact CD1-CB 4.39Å; F95-V135 HydrophobicContact CD1-CG1 3.73Å; F95-V135 HydrophobicContact CD2-CG1 3.7Å; F95-V135 HydrophobicContact CE1-CG1 3.88Å; F95-V135 HydrophobicContact CE2-CG1 3.85Å; F95-V135 HydrophobicContact CG-CG1 3.62Å; F95-V135 HydrophobicContact CZ-CG1 3.93Å; F120-V135 HydrophobicContact CE2-CG2 3.64Å; F120-V135 HydrophobicContact CZ-CB 4.41Å; F120-V135 HydrophobicContact CZ-CG1 3.86Å; F120-V135 HydrophobicContact CZ-CG2 3.74Å; A131-V135 PolarHBondContact O-N 3.36Å; L132-V135 VanDerWaalsContact O-CG2 3.24Å; L132-V135 WeakPolarHBondContact O-CG2 3.2Å; L132-V135 PolarHBondContact O-N 3.34Å; K133-V135 VanDerWaalsContact C-N 3.34Å; K133-V135 PolarHBondContact O-N 2.94Å; V135-D137 VanDerWaalsContact C-N 3.31Å; V135-L138 CarbonylContact O-C 3.55Å; V135-L138 WeakPolarHBondContact O-CB 3.49Å; V135-L138 PolarHBondContact O-N 3.27Å; V135-L138 VanDerWaalsContact O-N 3.16Å; V135-G139 PolarHBondContact O-N 2.85Å; V135-Y140 HydrophobicContact CB-CD2 3.99Å; V135-Y140 HydrophobicContact CB-CG 4.16Å; V135-Y140 WeakPolarHBondContact O-CB 3.41Å; V135-Y140 WeakPolarHBondContact O-CD2 3.46Å; V135-Y140 PolarHBondContact O-N 3.11Å; V135-P143 HydrophobicContact CG2-CB 3.8Å; V135-P143 HydrophobicContact CG2-CG 3.98Å
136	Q	95.1	Very high	95.2	Very high	67 Å²	67	50.3 Å²	50.3	31%	0.313	25%	0.249	S	C	.	.	H	α-helix	trans	-61.3	-42.2	170	-74.8	-177.8	-33	0	0	111.3	L132 K133 L138 G139 P143	L132-Q136 HydrophobicContact CD2-CG 4.07Å; L132-Q136 WeakPolarHBondContact O-CG 3.48Å; L132-Q136 PolarHBondContact O-N 3.46Å; K133-Q136 WeakPolarHBondContact O-CB 3.37Å; K133-Q136 PolarHBondContact O-N 3.11Å; Q136-L138 PolarHBondContact O-N 3.14Å; Q136-G139 WeakPolarHBondContact O-CA 3.39Å; Q136-G139 PolarHBondContact O-N 2.75Å; Q136-P143 HydrophobicContact CG-CG 3.42Å; Q136-P143 VanDerWaalsContact CG-CG 3.42Å
137	D	95.6	Very high	95.3	Very high	118 Å²	118	50 Å²	50	63%	0.631	25%	0.247	S	C	*	.	H	α-helix	trans	-66.3	-23.5	177	-64	-21.3	0	0	0	111.8	K133 I134 V135 G139	K133-D137 VanDerWaalsContact O-CG 3.25Å; K133-D137 PolarHBondContact O-N 3.33Å; I134-D137 PolarHBondContact O-N 2.79Å; V135-D137 VanDerWaalsContact C-N 3.31Å; D137-G139 VanDerWaalsContact C-N 3.3Å
138	L	95.3	Very high	95.2	Very high	61 Å²	61	48.4 Å²	48.4	32%	0.319	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-1.5	170	-62.4	174.4	0	0	0	113.9	F95 K96 I134 V135 Q136 Y140	F95-L138 HydrophobicContact CB-CD1 3.59Å; K96-L138 HydrophobicContact CG-CD1 4.42Å; K96-L138 HydrophobicContact CG-CD2 4.09Å; I134-L138 WeakPolarHBondContact O-CG 3.25Å; I134-L138 PolarHBondContact O-N 3.2Å; V135-L138 CarbonylContact O-C 3.55Å; V135-L138 WeakPolarHBondContact O-CB 3.49Å; V135-L138 PolarHBondContact O-N 3.27Å; V135-L138 VanDerWaalsContact O-N 3.16Å; Q136-L138 PolarHBondContact O-N 3.14Å; L138-Y140 HydrophobicContact CB-CD2 4.33Å
139	G	94.6	Very high	95.2	Very high	39 Å²	39	48.4 Å²	48.4	40%	0.402	25%	0.248	S	C	.	.	T	Hydrogen-bonded Turn	trans	103.7	-2.6	174.6	0	0	0	0	0	115.7	V113 V135 Q136 D137 E141	V113-G139 WeakPolarHBondContact CG1-O 3.39Å; V135-G139 PolarHBondContact O-N 2.85Å; Q136-G139 WeakPolarHBondContact O-CA 3.39Å; Q136-G139 PolarHBondContact O-N 2.75Å; D137-G139 VanDerWaalsContact C-N 3.3Å; G139-E141 PolarHBondContact O-N 3.38Å
140	Y	94.7	Very high	95.2	Very high	14 Å²	14	45.4 Å²	45.4	6%	0.055	23%	0.232	C	C	.	.			trans	-63.8	121.3	179	-76	-100	0	0	0	110.9	F95 K110 P111 N112 V135 L138 P143	F95-Y140 HydrophobicContact CB-CE2 4.44Å; F95-Y140 HydrophobicContact CD1-CD2 4.12Å; F95-Y140 AromaticContact CD1-CE1 3.99Å; F95-Y140 HydrophobicContact CD1-CE1 3.99Å; F95-Y140 AromaticContact CD1-CE2 3.45Å; F95-Y140 HydrophobicContact CD1-CE2 3.45Å; F95-Y140 VanDerWaalsContact CD1-CE2 3.45Å; F95-Y140 AromaticContact CD1-CZ 3.37Å; F95-Y140 WeakPolarHBondContact CD1-OH 3.35Å; F95-Y140 HydrophobicContact CE1-CD1 4.36Å; F95-Y140 AromaticContact CE1-CE1 3.87Å; F95-Y140 HydrophobicContact CE1-CE1 3.87Å; F95-Y140 HydrophobicContact CE1-CE2 4.13Å; F95-Y140 AromaticContact CE1-CZ 3.75Å; F95-Y140 HydrophobicContact CG-CE2 4.41Å; K110-Y140 WeakPolarHBondContact CE-OH 3.48Å; P111-Y140 HydrophobicContact CB-CE1 4.06Å; P111-Y140 VanDerWaalsContact O-CE1 3.26Å; P111-Y140 WeakPolarHBondContact O-CE1 3.11Å; P111-Y140 PolarHBondContact O-OH 3.35Å; N112-Y140 WeakPolarHBondContact O-CE1 3.15Å; V135-Y140 HydrophobicContact CB-CD2 3.99Å; V135-Y140 HydrophobicContact CB-CG 4.16Å; V135-Y140 WeakPolarHBondContact O-CB 3.41Å; V135-Y140 WeakPolarHBondContact O-CD2 3.46Å; V135-Y140 PolarHBondContact O-N 3.11Å; L138-Y140 HydrophobicContact CB-CD2 4.33Å; Y140-P143 WeakPolarHBondContact O-CD 3.46Å
141	E	90.2	Very high	95.1	Very high	135 Å²	135	41.9 Å²	41.9	63%	0.631	23%	0.225	S	C	*	.	S	Bend	trans	-80.8	-34.1	-165.1	-66.3	-174.4	170.3	0	0	113.9	V113 G139 P143	V113-E141 PolarHBondContact O-N 2.97Å; V113-E141 VanDerWaalsContact O-N 3.11Å; G139-E141 PolarHBondContact O-N 3.38Å; E141-P143 VanDerWaalsContact C-CD 3.45Å
142	N	91.3	Very high	95	Very high	27 Å²	27	43.3 Å²	43.3	14%	0.144	24%	0.237	C	C	.	.			trans	-133.4	45.2	-169.7	-54.4	-92.7	0	0	0	113.9	K45 K116	K45-N142 PolarHBondContact NZ-OD1 3.2Å; K116-N142 HydrophobicContact CG-CB 4.36Å
143	P	94.7	Very high	95	Very high	4 Å²	4	43.8 Å²	43.8	3%	0.026	24%	0.238	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-68.5	147.6	171.6	31.4	-34.7	0	0	0	110.9	F120 L132 V135 Q136 Y140 E141	F120-P143 HydrophobicContact CD2-CB 4.25Å; F120-P143 HydrophobicContact CE2-CB 3.8Å; L132-P143 HydrophobicContact CD1-CB 4.27Å; L132-P143 HydrophobicContact CD1-CG 4.42Å; L132-P143 WeakPolarHBondContact CD1-O 3.45Å; L132-P143 HydrophobicContact CD2-CG 4.3Å; L132-P143 HydrophobicContact CG-CB 3.91Å; L132-P143 HydrophobicContact CG-CG 3.81Å; V135-P143 HydrophobicContact CG2-CB 3.8Å; V135-P143 HydrophobicContact CG2-CG 3.98Å; Q136-P143 HydrophobicContact CG-CG 3.42Å; Q136-P143 VanDerWaalsContact CG-CG 3.42Å; Y140-P143 WeakPolarHBondContact O-CD 3.46Å; E141-P143 VanDerWaalsContact C-CD 3.45Å
144	L	96.3	Very high	94.9	Very high	25 Å²	25	39.6 Å²	39.6	13%	0.131	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123	148	-175.9	-59.8	170.2	0	0	0	110.6	V47 I49 M57 V118 V119 F120	V47-L144 CarbonylContact O-C 3.53Å; V47-L144 WeakPolarHBondContact O-CA 3.38Å; I49-L144 HydrophobicContact CG2-CB 4.29Å; I49-L144 HydrophobicContact CG2-CD1 4.1Å; I49-L144 HydrophobicContact CG2-CD2 4.17Å; I49-L144 HydrophobicContact CG2-CG 4.42Å; M57-L144 HydrophobicContact CE-CD1 3.73Å; M57-L144 HydrophobicContact SD-CD1 4.27Å; V118-L144 PolarHBondContact O-N 3.24Å; V119-L144 CarbonylContact C-O 3.54Å; V119-L144 WeakPolarHBondContact CA-O 3.41Å; V119-L144 HydrophobicContact CG2-CB 4.1Å; V119-L144 HydrophobicContact CG2-CD1 4.12Å; F120-L144 PolarHBondContact N-O 2.89Å
145	N	96.8	Very high	94.7	Very high	5 Å²	5	46 Å²	46	3%	0.027	25%	0.251	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.1	128.4	178	171	58.3	0	0	0	110	V47 D48 I49 G125 S128 M129 L132 V147	V47-N145 PolarHBondContact O-N 3.44Å; D48-N145 PolarHBondContact OD1-ND2 3.37Å; I49-N145 WeakPolarHBondContact CG1-O 3.33Å; I49-N145 PolarHBondContact N-O 3.33Å; G125-N145 PolarHBondContact O-OD1 2.73Å; S128-N145 WeakPolarHBondContact CB-OD1 3.38Å; S128-N145 PolarHBondContact OG-OD1 3.04Å; M129-N145 HydrophobicContact CG-CB 4.29Å; M129-N145 WeakPolarHBondContact CG-ND2 3.15Å; L132-N145 HydrophobicContact CD1-CB 3.87Å; N145-V147 PolarHBondContact O-N 2.99Å
146	L	96.7	Very high	94.6	Very high	0 Å²	0	50.3 Å²	50.3	0%	0	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.7	108.9	172.3	-177.5	63.9	0	0	0	110.3	I49 V51 L54 I80 V119 F120 G148 G149	I49-L146 HydrophobicContact CG1-CD1 4.31Å; V51-L146 HydrophobicContact CG2-CD1 4.12Å; L54-L146 HydrophobicContact CB-CD1 4.14Å; L54-L146 HydrophobicContact CD2-CD1 3.85Å; L54-L146 HydrophobicContact CD2-CD2 3.74Å; L54-L146 HydrophobicContact CD2-CG 4.4Å; I80-L146 HydrophobicContact CD1-CD2 3.61Å; V119-L146 HydrophobicContact CG1-CB 4.25Å; F120-L146 PolarHBondContact O-N 2.84Å; L146-G148 PolarHBondContact O-N 2.92Å; L146-G149 PolarHBondContact O-N 3.16Å
147	V	94.9	Very high	94.3	Very high	71 Å²	71	50.9 Å²	50.9	43%	0.43	28%	0.277	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.9	128.4	178.3	179.4	0	0	0	0	110.1	D48 I49 N145 G149	D48-V147 HydrophobicContact CB-CG2 3.51Å; I49-V147 WeakPolarHBondContact O-CG2 3.15Å; I49-V147 PolarHBondContact O-N 3.44Å; N145-V147 PolarHBondContact O-N 2.99Å; V147-G149 PolarHBondContact O-N 3.12Å
148	G	94.3	Very high	93.4	Very high	23 Å²	23	49.5 Å²	49.5	24%	0.237	28%	0.282	C	S	.	.	T	Hydrogen-bonded Turn	trans	74.5	-5.2	-176.2	0	0	0	0	0	114.6	S124 L146 N151 A152	S124-G148 CarbonylContact O-C 3.52Å; S124-G148 VanDerWaalsContact O-CA 3.29Å; S124-G148 WeakPolarHBondContact O-CA 3.5Å; L146-G148 PolarHBondContact O-N 2.92Å; G148-N151 PolarHBondContact O-N 3.02Å; G148-A152 PolarHBondContact O-N 3.46Å
149	G	95.1	Very high	91.6	Very high	0 Å²	0	49.5 Å²	49.5	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	52.6	-142.6	175.2	0	0	0	0	0	114.1	C122 L146 V147 N151 A152 W153	C122-G149 CarbonylContact O-C 3.59Å; C122-G149 WeakPolarHBondContact O-CA 3.37Å; L146-G149 PolarHBondContact O-N 3.16Å; V147-G149 PolarHBondContact O-N 3.12Å; G149-N151 VanDerWaalsContact C-N 3.27Å; G149-N151 PolarHBondContact O-N 3.46Å; G149-A152 PolarHBondContact O-N 3.27Å; G149-W153 PolarHBondContact O-N 2.99Å; G149-W153 VanDerWaalsContact O-N 3.14Å
150	Y	95.5	Very high	88.9	Confident	35 Å²	35	55.1 Å²	55.1	14%	0.137	35%	0.354	C	S	.	.	H	α-helix	trans	-59.4	-34.8	178.2	-174.4	-103.5	0	0	0	112.7	T77 I80 C122 R123 A152 W153 A154	T77-Y150 PolarHBondContact O-OH 3.43Å; I80-Y150 HydrophobicContact CG1-CD2 3.91Å; I80-Y150 HydrophobicContact CG1-CE2 4.45Å; C122-Y150 WeakPolarHBondContact O-CB 3.5Å; C122-Y150 PolarHBondContact O-N 3.33Å; R123-Y150 PolarHBondContact O-N 3.11Å; Y150-A152 PolarHBondContact O-N 2.89Å; Y150-W153 AromaticContact CE2-CD1 3.97Å; Y150-W153 WeakPolarHBondContact O-CB 3.28Å; Y150-W153 PolarHBondContact O-N 2.96Å; Y150-A154 HydrophobicContact CD1-CB 4.44Å; Y150-A154 HydrophobicContact CE1-CB 4.06Å; Y150-A154 VanDerWaalsContact O-CB 3.28Å; Y150-A154 WeakPolarHBondContact O-CB 3.49Å; Y150-A154 PolarHBondContact O-N 2.67Å
151	N	94.7	Very high	88.6	Confident	82 Å²	82	57.2 Å²	57.2	44%	0.439	37%	0.369	S	S	.	.	H	α-helix	trans	-62.3	-43.5	178.4	-71.8	-8.9	0	0	0	111.8	R123 G148 G149 K155	R123-N151 PolarHBondContact O-N 2.57Å; R123-N151 VanDerWaalsContact O-N 3.11Å; R123-N151 PolarHBondContact O-OD1 2.76Å; G148-N151 PolarHBondContact O-N 3.02Å; G149-N151 VanDerWaalsContact C-N 3.27Å; G149-N151 PolarHBondContact O-N 3.46Å; N151-K155 WeakPolarHBondContact O-CB 3.34Å; N151-K155 PolarHBondContact O-N 3.24Å
152	A	95	Very high	88.5	Confident	30 Å²	30	53.1 Å²	53.1	25%	0.248	36%	0.355	C	S	.	.	H	α-helix	trans	-65.9	-42.8	175.5	0	0	0	0	0	111.2	V51 G148 G149 Y150 K155 E156	V51-A152 HydrophobicContact CG2-CB 3.76Å; G148-A152 PolarHBondContact O-N 3.46Å; G149-A152 PolarHBondContact O-N 3.27Å; Y150-A152 PolarHBondContact O-N 2.89Å; A152-K155 PolarHBondContact O-N 3.09Å; A152-E156 PolarHBondContact O-N 3.4Å; A152-E156 VanDerWaalsContact O-N 3.1Å
153	W	95.2	Very high	88.4	Confident	20 Å²	20	54.5 Å²	54.5	8%	0.076	37%	0.367	C	S	.	.	H	α-helix	trans	-58.2	-51.3	174.9	174	-93.3	0	0	0	112	V51 L54 K55 M58 I80 P81 G149 Y150 K155 E156 N157	V51-W153 HydrophobicContact CG1-CE3 3.78Å; V51-W153 HydrophobicContact CG1-CZ3 4.22Å; V51-W153 HydrophobicContact CG2-CB 4.49Å; L54-W153 HydrophobicContact CD2-CE3 4.05Å; L54-W153 HydrophobicContact CD2-CZ3 4.24Å; K55-W153 HydrophobicContact CG-CH2 4.39Å; K55-W153 HydrophobicContact CG-CZ3 3.94Å; M58-W153 HydrophobicContact CE-CH2 3.9Å; M58-W153 HydrophobicContact SD-CH2 3.71Å; M58-W153 HydrophobicContact SD-CZ3 3.8Å; I80-W153 HydrophobicContact CB-CD2 4.43Å; I80-W153 HydrophobicContact CD1-CB 3.95Å; I80-W153 HydrophobicContact CD1-CD2 4.28Å; I80-W153 HydrophobicContact CD1-CG 3.95Å; I80-W153 HydrophobicContact CG1-CB 4.19Å; I80-W153 HydrophobicContact CG1-CD2 4.09Å; I80-W153 HydrophobicContact CG1-CG 3.74Å; I80-W153 HydrophobicContact CG2-CD2 3.76Å; I80-W153 HydrophobicContact CG2-CE3 3.95Å; I80-W153 HydrophobicContact CG2-CG 4.34Å; I80-W153 HydrophobicContact CG2-CH2 4.2Å; I80-W153 HydrophobicContact CG2-CZ2 4.02Å; I80-W153 HydrophobicContact CG2-CZ3 4.16Å; P81-W153 HydrophobicContact CG-CZ2 3.95Å; G149-W153 PolarHBondContact O-N 2.99Å; G149-W153 VanDerWaalsContact O-N 3.14Å; Y150-W153 AromaticContact CE2-CD1 3.97Å; Y150-W153 WeakPolarHBondContact O-CB 3.28Å; Y150-W153 PolarHBondContact O-N 2.96Å; W153-K155 VanDerWaalsContact C-N 3.34Å; W153-K155 PolarHBondContact O-N 2.71Å; W153-E156 PolarHBondContact O-N 3.45Å; W153-N157 VanDerWaalsContact CD2-ND2 3.26Å; W153-N157 WeakPolarHBondContact CZ2-ND2 3.36Å; W153-N157 PolarHBondContact O-N 3.1Å; W153-N157 VanDerWaalsContact O-N 3.1Å; W153-N157 PolarHBondContact O-ND2 3.17Å
154	A	93.6	Very high	88	Confident	31 Å²	31	57.5 Å²	57.5	26%	0.256	39%	0.387	S	S	.	.	H	α-helix	trans	-60.7	-44.4	-180	0	0	0	0	0	110.7	Y150 E156 N157 A158	Y150-A154 HydrophobicContact CD1-CB 4.44Å; Y150-A154 HydrophobicContact CE1-CB 4.06Å; Y150-A154 VanDerWaalsContact O-CB 3.28Å; Y150-A154 WeakPolarHBondContact O-CB 3.49Å; Y150-A154 PolarHBondContact O-N 2.67Å; A154-E156 VanDerWaalsContact C-N 3.31Å; A154-E156 PolarHBondContact O-N 2.78Å; A154-N157 PolarHBondContact O-N 3.1Å; A154-N157 VanDerWaalsContact O-N 3.17Å; A154-A158 WeakPolarHBondContact O-CB 3.08Å; A154-A158 PolarHBondContact O-N 3.32Å
155	K	93.7	Very high	87.5	Confident	179 Å²	179	59.5 Å²	59.5	78%	0.778	40%	0.403	S	S	*	.	H	α-helix	trans	-57.9	-40.9	176.7	-175.2	179.5	178.4	-177.7	0	112.8	N151 A152 W153	N151-K155 WeakPolarHBondContact O-CB 3.34Å; N151-K155 PolarHBondContact O-N 3.24Å; A152-K155 PolarHBondContact O-N 3.09Å; W153-K155 VanDerWaalsContact C-N 3.34Å; W153-K155 PolarHBondContact O-N 2.71Å
156	E	92.3	Very high	86.9	Confident	91 Å²	91	63.1 Å²	63.1	43%	0.425	43%	0.428	S	S	.	.	H	α-helix	trans	-80.4	-14.6	-179.1	-153.6	-177.1	125.4	0	0	113.8	V51 K55 A152 W153 A154	V51-E156 WeakPolarHBondContact CB-OE2 3.49Å; V51-E156 HydrophobicContact CG1-CB 4.01Å; V51-E156 HydrophobicContact CG1-CG 4.36Å; V51-E156 WeakPolarHBondContact CG1-OE2 3.42Å; K55-E156 WeakPolarHBondContact CE-OE1 3.39Å; K55-E156 IonicContact NZ-OE1 2.71Å; K55-E156 PolarHBondContact NZ-OE1 2.81Å; A152-E156 PolarHBondContact O-N 3.4Å; A152-E156 VanDerWaalsContact O-N 3.1Å; W153-E156 PolarHBondContact O-N 3.45Å; A154-E156 VanDerWaalsContact C-N 3.31Å; A154-E156 PolarHBondContact O-N 2.78Å
157	N	89.2	Confident	86.2	Confident	78 Å²	78	67.6 Å²	67.6	42%	0.417	46%	0.459	S	S	.	.	H	α-helix	trans	-110.9	-10.9	180	-68.1	-84.5	0	0	0	113.7	W153 A154 G159	W153-N157 VanDerWaalsContact CD2-ND2 3.26Å; W153-N157 WeakPolarHBondContact CZ2-ND2 3.36Å; W153-N157 PolarHBondContact O-N 3.1Å; W153-N157 VanDerWaalsContact O-N 3.1Å; W153-N157 PolarHBondContact O-ND2 3.17Å; A154-N157 PolarHBondContact O-N 3.1Å; A154-N157 VanDerWaalsContact O-N 3.17Å; N157-G159 VanDerWaalsContact C-N 3.25Å; N157-G159 PolarHBondContact O-N 3.33Å
158	A	78.1	Confident	85.5	Confident	90 Å²	90	67.4 Å²	67.4	74%	0.744	46%	0.461	S	S	*	.	S	Bend	trans	-78.1	1.5	-178.2	0	0	0	0	0	114.8	A154	A154-A158 WeakPolarHBondContact O-CB 3.08Å; A154-A158 PolarHBondContact O-N 3.32Å
159	G	57	Low	84.8	Confident	60 Å²	60	71.1 Å²	71.1	62%	0.619	48%	0.48	S	S	*	.			trans	136.5	116.9	171.7	0	0	0	0	0	113.8	N157	N157-G159 VanDerWaalsContact C-N 3.25Å; N157-G159 PolarHBondContact O-N 3.33Å
160	G	37.9	Very low	83.8	Confident	157 Å²	157	77.5 Å²	77.5	100%	1.619	52%	0.523	S	S	*	.			trans	-84.6	0	130.5	0	0	0	0	0	109

Retrieved 160 of 160 residues in 31.5 ms (Link to these results)

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