A0A077YW51_TRITR Loading...

Uncharacterized protein

AlphaFold DB , UniProt , Accession A0A077YW51, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 116 aa.

						>A0A077YW51_TRITR|A0A077YW51
MCEEEEGEEEEEEGRGSDRAHLRGHKVGASERGDGVRAASAPFARPIPVPKSSLIRRIAFKGSVAISVESLAGSAPINGSFSLSSKPPLKSCFALEIHPADNDHVHRRLLLLLKRL
					

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	41.8	Very low	44.3	Very low	239 Å²	239	177.1 Å²	177.1	100%	1.177	90%	0.897	S	S	*	*				0	118	0	-84	-162.9	171	0	0	106.2
2	C	49.4	Very low	44.8	Very low	139 Å²	139	178.3 Å²	178.3	94%	0.939	90%	0.897	S	S	*	*			trans	61	86.4	-173.4	-53.8	0	0	0	0	115.5
3	E	40.9	Very low	44.5	Very low	186 Å²	186	176.9 Å²	176.9	87%	0.869	89%	0.886	S	S	*	*			trans	-90.1	132	151.2	-61.2	-179.5	145.9	0	0	106.2
4	E	49.4	Very low	44.2	Very low	185 Å²	185	168.7 Å²	168.7	86%	0.864	87%	0.868	S	S	*	*			trans	160.1	134.8	168.7	-95.5	162.8	-170.7	0	0	106.3
5	E	49.1	Very low	44	Very low	182 Å²	182	172.9 Å²	172.9	85%	0.85	87%	0.868	S	S	*	*			cis	-161.4	143.1	-11.3	-113.6	179.4	161.8	0	0	104.2	G7	E5-G7 PolarHBondContact O-N 3.35Å
6	E	38	Very low	43.8	Very low	193 Å²	193	166.6 Å²	166.6	90%	0.902	86%	0.861	S	S	*	*			trans	-67.3	117.4	173.5	-71.5	177.8	148.3	0	0	109.6
7	G	40.1	Very low	43.8	Very low	74 Å²	74	163.2 Å²	163.2	76%	0.763	86%	0.855	S	S	*	*			trans	-106.3	95.2	167.1	0	0	0	0	0	109.3	E5 E9	E5-G7 PolarHBondContact O-N 3.35Å; G7-E9 PolarHBondContact O-N 3.33Å
8	E	42.5	Very low	43.6	Very low	178 Å²	178	162.4 Å²	162.4	83%	0.832	85%	0.852	S	S	*	*			trans	-70.7	107.6	163.8	-67	-180	140.9	0	0	107.9
9	E	46.5	Very low	43.4	Very low	197 Å²	197	166.8 Å²	166.8	92%	0.921	86%	0.856	S	S	*	*			trans	-88.9	104.4	165.5	-74	-173.5	171.8	0	0	108.3	G7	G7-E9 PolarHBondContact O-N 3.33Å
10	E	51.6	Low	43.5	Very low	185 Å²	185	162.7 Å²	162.7	86%	0.864	85%	0.848	S	S	*	*			trans	-61.9	146.5	178.5	-66.4	179.4	142.3	0	0	112.9	E12	E10-E12 PolarHBondContact O-N 3.34Å
11	E	38.6	Very low	43.2	Very low	190 Å²	190	163.1 Å²	163.1	89%	0.888	85%	0.845	S	S	*	*			trans	-56.8	116.2	175.8	-66.7	175.5	132.9	0	0	112.8	E13	E11-E13 PolarHBondContact O-N 2.99Å
12	E	50	Low	43.6	Very low	192 Å²	192	160 Å²	160	90%	0.897	83%	0.833	S	S	*	*			trans	-95.6	78.2	162.6	-150.3	-175.7	-174.6	0	0	110.2	E10 G14	E10-E12 PolarHBondContact O-N 3.34Å; E12-G14 PolarHBondContact O-N 3.46Å
13	E	40.8	Very low	43.1	Very low	160 Å²	160	164.1 Å²	164.1	75%	0.748	83%	0.828	S	S	*	*			trans	-75.2	70.7	162.9	-162.6	-172.5	155.5	0	0	109.5	E11 R15	E11-E13 PolarHBondContact O-N 2.99Å; E13-R15 PolarHBondContact O-N 3.29Å
14	G	40.6	Very low	42.7	Very low	62 Å²	62	158.5 Å²	158.5	64%	0.639	82%	0.82	S	S	*	*			trans	-84.2	90.1	177.4	0	0	0	0	0	112.9	E12 G16	E12-G14 PolarHBondContact O-N 3.46Å; G14-G16 PolarHBondContact O-N 3.15Å; G14-G16 VanDerWaalsContact O-N 3.15Å
15	R	40.5	Very low	42.2	Very low	231 Å²	231	158.4 Å²	158.4	87%	0.872	82%	0.82	S	S	*	*			trans	-61.7	106.4	165.6	-74.5	177.7	176.1	-157.4	-0.6	110.8	E13	E13-R15 PolarHBondContact O-N 3.29Å
16	G	40.5	Very low	41.5	Very low	73 Å²	73	159.5 Å²	159.5	75%	0.753	82%	0.822	S	S	*	*			trans	-135	110.2	170.4	0	0	0	0	0	111.3	G14	G14-G16 PolarHBondContact O-N 3.15Å; G14-G16 VanDerWaalsContact O-N 3.15Å
17	S	43.7	Very low	41.7	Very low	108 Å²	108	156.8 Å²	156.8	76%	0.755	82%	0.818	S	S	*	*			trans	-56.7	160.7	176.8	-166.3	0	0	0	0	112.8
18	D	40.3	Very low	41.4	Very low	150 Å²	150	155.9 Å²	155.9	80%	0.802	81%	0.809	S	S	*	*			trans	91.5	64.1	163	-50.6	-22.5	0	0	0	117.9
19	R	39.9	Very low	41.3	Very low	245 Å²	245	152 Å²	152	93%	0.925	81%	0.807	S	S	*	*	S	Bend	trans	-144.1	92.7	144.3	-144.5	171.8	-176.6	-159.4	0.5	113.1
20	A	45.2	Very low	41.3	Very low	85 Å²	85	148.2 Å²	148.2	70%	0.702	80%	0.802	S	S	*	*			trans	34.4	88.8	150.9	0	0	0	0	0	116.7	L22	A20-L22 VanDerWaalsContact C-N 3.26Å; A20-L22 PolarHBondContact O-N 3.15Å
21	H	37.8	Very low	41	Very low	171 Å²	171	147.7 Å²	147.7	79%	0.792	80%	0.8	S	S	*	*			trans	-59.9	87.6	155.5	-77.4	88.6	0	0	0	110	R23	H21-R23 PolarHBondContact O-N 2.86Å
22	L	49.3	Very low	41.1	Very low	173 Å²	173	151 Å²	151	91%	0.906	80%	0.804	S	S	*	*			trans	-76.7	64	156.9	-68.3	177.1	0	0	0	108.4	A20	A20-L22 VanDerWaalsContact C-N 3.26Å; A20-L22 PolarHBondContact O-N 3.15Å
23	R	38.9	Very low	40.6	Very low	226 Å²	226	144.8 Å²	144.8	85%	0.853	79%	0.792	S	S	*	*			trans	-80.6	113.6	168.1	-110.9	-178	175.6	-129.4	1.1	107.6	H21	H21-R23 PolarHBondContact O-N 2.86Å
24	G	33.4	Very low	40.3	Very low	68 Å²	68	144.2 Å²	144.2	70%	0.701	79%	0.794	S	S	*	*			trans	87.7	65.8	150	0	0	0	0	0	117.1
25	H	38.3	Very low	40	Very low	184 Å²	184	144.8 Å²	144.8	85%	0.852	80%	0.799	S	S	*	*			trans	-99.4	101.1	138.3	-86.1	-73.2	0	0	0	107.7	V27	H25-V27 VanDerWaalsContact C-N 3.28Å; H25-V27 PolarHBondContact O-N 2.94Å
26	K	36	Very low	39.9	Very low	204 Å²	204	140.3 Å²	140.3	89%	0.887	80%	0.797	S	S	*	*			trans	-53.4	105.3	153.3	-80.7	-175.8	175.8	-173.6	0	105.5	G28	K26-G28 PolarHBondContact O-N 2.74Å
27	V	41.9	Very low	39.6	Very low	137 Å²	137	147.9 Å²	147.9	83%	0.83	80%	0.803	S	S	*	*			trans	-69.7	79.9	159.9	-167.4	0	0	0	0	104.2	H25 A29	H25-V27 VanDerWaalsContact C-N 3.28Å; H25-V27 PolarHBondContact O-N 2.94Å; V27-A29 PolarHBondContact O-N 2.91Å; V27-A29 VanDerWaalsContact O-N 3.15Å
28	G	33.6	Very low	39.5	Very low	55 Å²	55	146.8 Å²	146.8	57%	0.567	80%	0.801	S	S	*	*			trans	-52.9	121.7	159.5	0	0	0	0	0	105	K26 S30	K26-G28 PolarHBondContact O-N 2.74Å; G28-S30 PolarHBondContact O-N 2.82Å
29	A	40.1	Very low	39.2	Very low	95 Å²	95	144 Å²	144	79%	0.785	80%	0.798	S	S	*	*			trans	-51.4	98.5	164.8	0	0	0	0	0	105.8	V27 E31	V27-A29 PolarHBondContact O-N 2.91Å; V27-A29 VanDerWaalsContact O-N 3.15Å; A29-E31 PolarHBondContact O-N 2.96Å
30	S	45.9	Very low	39.2	Very low	118 Å²	118	136.9 Å²	136.9	83%	0.825	79%	0.786	S	S	*	*			trans	-58.2	113.9	171.8	-177.2	0	0	0	0	103.8	G28	G28-S30 PolarHBondContact O-N 2.82Å
31	E	44.7	Very low	39	Very low	174 Å²	174	136 Å²	136	81%	0.813	78%	0.779	S	S	*	*			trans	-43.3	145.7	170	-66.9	178.5	119.8	0	0	107.7	A29 G33	A29-E31 PolarHBondContact O-N 2.96Å; E31-G33 PolarHBondContact O-N 3.27Å
32	R	42.6	Very low	39	Very low	260 Å²	260	133.5 Å²	133.5	98%	0.981	78%	0.778	S	S	*	*			trans	-57.4	73.7	162.4	-79.4	177	166.4	-173.3	-2.9	107.5	D34	R32-D34 PolarHBondContact O-N 2.6Å
33	G	37.8	Very low	38.4	Very low	62 Å²	62	134 Å²	134	64%	0.639	77%	0.773	S	S	*	*			trans	-70.8	114.9	174.7	0	0	0	0	0	105.4	E31	E31-G33 PolarHBondContact O-N 3.27Å
34	D	36	Very low	38.8	Very low	148 Å²	148	125.9 Å²	125.9	79%	0.791	75%	0.754	S	S	*	*			trans	15	118.1	161.8	-95.5	-69.1	0	0	0	115.9	R32 V36	R32-D34 PolarHBondContact O-N 2.6Å; D34-V36 PolarHBondContact O-N 3.03Å
35	G	33.9	Very low	39	Very low	73 Å²	73	133.3 Å²	133.3	75%	0.753	76%	0.761	S	S	*	*			trans	-39.3	103.4	167.7	0	0	0	0	0	109.8	R37	G35-R37 PolarHBondContact O-N 3.44Å
36	V	37.8	Very low	39.3	Very low	137 Å²	137	128 Å²	128	83%	0.83	74%	0.743	S	S	*	*			trans	-62.9	85.9	155	-172.3	0	0	0	0	102.3	D34 A38	D34-V36 PolarHBondContact O-N 3.03Å; V36-A38 PolarHBondContact O-N 3.38Å
37	R	34.8	Very low	39.9	Very low	233 Å²	233	120.8 Å²	120.8	88%	0.879	71%	0.714	S	S	*	*			trans	-51.2	96.4	164.5	-175.5	-178.6	-172.4	-140.9	3.1	101.5	G35 A39	G35-R37 PolarHBondContact O-N 3.44Å; R37-A39 PolarHBondContact O-N 3.42Å
38	A	40.3	Very low	40.1	Very low	85 Å²	85	120 Å²	120	70%	0.702	71%	0.711	S	S	*	*			trans	-48.4	104.9	-179.6	0	0	0	0	0	103.3	V36 S40	V36-A38 PolarHBondContact O-N 3.38Å; A38-S40 VanDerWaalsContact C-N 3.3Å; A38-S40 PolarHBondContact O-N 2.67Å
39	A	35.6	Very low	41	Very low	91 Å²	91	118.7 Å²	118.7	75%	0.752	69%	0.692	S	S	*	*			trans	-53.5	112.4	-177.7	0	0	0	0	0	101.9	R37 A41	R37-A39 PolarHBondContact O-N 3.42Å; A39-A41 PolarHBondContact O-N 2.7Å
40	S	38.5	Very low	41.6	Very low	96 Å²	96	116.6 Å²	116.6	67%	0.671	67%	0.67	S	S	*	*			trans	-61.5	94.8	-174.7	57.8	0	0	0	0	103.4	A38	A38-S40 VanDerWaalsContact C-N 3.3Å; A38-S40 PolarHBondContact O-N 2.67Å
41	A	42.4	Very low	42.3	Very low	67 Å²	67	120.7 Å²	120.7	55%	0.554	67%	0.674	S	S	*	*			trans	-51.1	118.2	178.5	0	0	0	0	0	103.1	A39 F43	A39-A41 PolarHBondContact O-N 2.7Å; A41-F43 PolarHBondContact O-N 2.74Å
42	P	37.6	Very low	43	Very low	118 Å²	118	114.4 Å²	114.4	77%	0.766	65%	0.649	S	S	*	*			trans	-50.5	116.5	-166.7	19.5	-31.9	0	0	0	105.6	A44	P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 WeakPolarHBondContact O-CA 3.3Å; P42-A44 PolarHBondContact O-N 3.17Å
43	F	35.2	Very low	43.9	Very low	184 Å²	184	102.3 Å²	102.3	81%	0.807	60%	0.604	S	S	*	*			trans	-32.9	101.2	-169.1	-72.4	-92.4	0	0	0	108.6	A41 R45	A41-F43 PolarHBondContact O-N 2.74Å; F43-R45 PolarHBondContact O-N 3.45Å
44	A	47.9	Very low	44.8	Very low	55 Å²	55	102.7 Å²	102.7	46%	0.455	59%	0.591	S	S	.	*	P	Polyproline II helix	trans	-54.2	120.9	-176.7	0	0	0	0	0	104.2	P42 L112	P42-A44 VanDerWaalsContact C-N 3.34Å; P42-A44 WeakPolarHBondContact O-CA 3.3Å; P42-A44 PolarHBondContact O-N 3.17Å; A44-L112 HydrophobicContact CB-CD1 4.14Å; A44-L112 HydrophobicContact CB-CD2 4.13Å; A44-L112 WeakPolarHBondContact O-CD2 3.29Å
45	R	37.7	Very low	46.1	Very low	223 Å²	223	98 Å²	98	84%	0.842	57%	0.565	S	S	*	*	P	Polyproline II helix	trans	-61.5	134.1	-179.6	-61.3	-175.4	-170.6	-164.4	2.9	105.9	F43 I47	F43-R45 PolarHBondContact O-N 3.45Å; R45-I47 PolarHBondContact O-N 2.92Å
46	P	44.1	Very low	47.1	Very low	73 Å²	73	100.3 Å²	100.3	47%	0.474	55%	0.551	S	S	.	*	P	Polyproline II helix	trans	-46.1	116.1	173.7	-27.2	33.5	0	0	0	108.8	P48 L112	P46-P48 VanDerWaalsContact O-CD 3.29Å; P46-P48 WeakPolarHBondContact O-CD 3.27Å; P46-L112 VanDerWaalsContact CA-O 3.29Å; P46-L112 WeakPolarHBondContact CA-O 3.47Å; P46-L112 HydrophobicContact CB-CD2 4.35Å; P46-L112 VanDerWaalsContact CB-O 3.23Å; P46-L112 WeakPolarHBondContact CB-O 3.37Å; P46-L112 HydrophobicContact CG-CD2 4.24Å
47	I	48.6	Very low	48	Very low	53 Å²	53	99.8 Å²	99.8	27%	0.272	54%	0.535	S	S	.	.	P	Polyproline II helix	trans	-77.9	119.3	179.9	-60.3	177.6	0	0	0	105.5	R45 V49 F81 L112	R45-I47 PolarHBondContact O-N 2.92Å; I47-V49 VanDerWaalsContact C-N 3.3Å; I47-V49 HydrophobicContact CG2-CG2 4.28Å; I47-V49 PolarHBondContact O-N 3.45Å; I47-F81 HydrophobicContact CD1-CB 3.73Å; I47-F81 HydrophobicContact CD1-CD1 3.94Å; I47-F81 HydrophobicContact CD1-CG 3.93Å; I47-L112 PolarHBondContact N-O 2.95Å
48	P	46.7	Very low	48.9	Very low	119 Å²	119	92.8 Å²	92.8	77%	0.773	51%	0.513	S	S	*	.			trans	-66.1	97.5	174.3	26.2	-30.2	0	0	0	107.7	P46 P50	P46-P48 VanDerWaalsContact O-CD 3.29Å; P46-P48 WeakPolarHBondContact O-CD 3.27Å; P48-P50 WeakPolarHBondContact O-CD 3.48Å
49	V	52.2	Low	49.4	Very low	28 Å²	28	92.2 Å²	92.2	17%	0.17	51%	0.509	C	S	.	.			trans	-85.4	120.4	171.4	172.3	0	0	0	0	107.5	I47 I55 V68 L113	I47-V49 VanDerWaalsContact C-N 3.3Å; I47-V49 HydrophobicContact CG2-CG2 4.28Å; I47-V49 PolarHBondContact O-N 3.45Å; V49-I55 HydrophobicContact CG1-CD1 4.31Å; V49-I55 HydrophobicContact CG1-CG1 4.5Å; V49-V68 HydrophobicContact CG1-CG1 3.91Å; V49-L113 HydrophobicContact CB-CD2 3.54Å; V49-L113 HydrophobicContact CG1-CD2 4.29Å; V49-L113 HydrophobicContact CG2-CD2 3.09Å
50	P	53.9	Low	49.9	Very low	51 Å²	51	95 Å²	95	33%	0.331	50%	0.504	S	S	.	.			trans	-51.5	145.4	177.5	-25.4	32	0	0	0	111.3	P48 S52 S53	P48-P50 WeakPolarHBondContact O-CD 3.48Å; P50-S52 WeakPolarHBondContact CB-OG 3.46Å; P50-S52 PolarHBondContact O-N 2.82Å; P50-S52 VanDerWaalsContact O-N 3.11Å; P50-S53 WeakPolarHBondContact CD-OG 3.22Å; P50-S53 VanDerWaalsContact O-CB 3.25Å; P50-S53 WeakPolarHBondContact O-CB 3.02Å; P50-S53 PolarHBondContact O-N 3.42Å; P50-S53 PolarHBondContact O-OG 3.49Å
51	K	60	Low	50.4	Low	205 Å²	205	99.6 Å²	99.6	89%	0.891	51%	0.512	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.9	-25	174.1	-70.9	-177.1	178.3	177.9	0	112.1	S53	K51-S53 PolarHBondContact O-N 3.32Å
52	S	59.5	Low	50.7	Low	42 Å²	42	98.6 Å²	98.6	29%	0.294	51%	0.508	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.5	7.1	174	61.9	0	0	0	0	114.1	P50 L71 S74	P50-S52 WeakPolarHBondContact CB-OG 3.46Å; P50-S52 PolarHBondContact O-N 2.82Å; P50-S52 VanDerWaalsContact O-N 3.11Å; S52-L71 WeakPolarHBondContact O-CB 3.46Å; S52-L71 VanDerWaalsContact O-CD1 3.25Å; S52-L71 WeakPolarHBondContact O-CD1 3.34Å; S52-L71 WeakPolarHBondContact O-CG 3.46Å; S52-L71 PolarHBondContact O-N 2.85Å; S52-S74 VanDerWaalsContact OG-CB 3.26Å; S52-S74 WeakPolarHBondContact OG-CB 3.49Å
53	S	60.5	Low	51.2	Low	5 Å²	5	94.4 Å²	94.4	4%	0.035	48%	0.482	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.2	139.1	179.1	-50.5	0	0	0	0	111.4	P50 K51 E69 I77 R115	P50-S53 WeakPolarHBondContact CD-OG 3.22Å; P50-S53 VanDerWaalsContact O-CB 3.25Å; P50-S53 WeakPolarHBondContact O-CB 3.02Å; P50-S53 PolarHBondContact O-N 3.42Å; P50-S53 PolarHBondContact O-OG 3.49Å; K51-S53 PolarHBondContact O-N 3.32Å; S53-E69 CarbonylContact C-O 3.6Å; S53-E69 VanDerWaalsContact CA-O 3.25Å; S53-E69 WeakPolarHBondContact CA-O 3.19Å; S53-I77 WeakPolarHBondContact OG-CD1 2.94Å; S53-R115 PolarHBondContact O-NH2 3.35Å
54	L	57.2	Low	51.8	Low	70 Å²	70	85.9 Å²	85.9	37%	0.366	45%	0.445	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	121.5	177.6	-151.8	130.7	0	0	0	108.7	R56 V68 E69 L71	L54-R56 HydrophobicContact CD2-CG 3.57Å; L54-V68 WeakPolarHBondContact O-CA 3.47Å; L54-E69 PolarHBondContact N-O 2.87Å; L54-E69 PolarHBondContact O-N 3.31Å; L54-L71 HydrophobicContact CD1-CD2 4.17Å
55	I	63.7	Low	52.2	Low	49 Å²	49	84.3 Å²	84.3	25%	0.251	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.2	116.4	-179.7	-60.9	142.5	0	0	0	107.3	V49 I66 S67 V68 L113	V49-I55 HydrophobicContact CG1-CD1 4.31Å; V49-I55 HydrophobicContact CG1-CG1 4.5Å; I55-I66 HydrophobicContact CG2-CG2 3.83Å; I55-S67 CarbonylContact C-O 3.57Å; I55-S67 WeakPolarHBondContact CA-O 3.49Å; I55-V68 HydrophobicContact CG1-CG1 4.01Å; I55-V68 HydrophobicContact CG1-CG2 4.16Å; I55-L113 HydrophobicContact CD1-CD1 3.64Å; I55-L113 HydrophobicContact CD1-CD2 4.35Å; I55-L113 HydrophobicContact CD1-CG 4.47Å; I55-L113 HydrophobicContact CG1-CD1 4.29Å; I55-L113 HydrophobicContact CG2-CD1 4.45Å
56	R	54.2	Low	53.3	Low	123 Å²	123	73.9 Å²	73.9	46%	0.464	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	133.1	176.9	-56	-172	-159.8	-139.8	4.7	109.6	L54 I58 I66 S67 E69	L54-R56 HydrophobicContact CD2-CG 3.57Å; R56-I58 HydrophobicContact CB-CG1 4.5Å; R56-I66 CarbonylContact O-C 3.55Å; R56-I66 WeakPolarHBondContact O-CA 3.08Å; R56-S67 PolarHBondContact N-O 2.79Å; R56-S67 PolarHBondContact O-N 2.78Å; R56-E69 IonicContact CZ-OE1 4Å; R56-E69 IonicContact CZ-OE2 3.24Å; R56-E69 VanDerWaalsContact CZ-OE2 3.24Å; R56-E69 IonicContact NE-OE1 3.47Å; R56-E69 PolarHBondContact NE-OE1 3.07Å; R56-E69 IonicContact NE-OE2 2.95Å; R56-E69 PolarHBondContact NE-OE2 3.21Å; R56-E69 IonicContact NH2-OE2 2.74Å; R56-E69 PolarHBondContact NH2-OE2 3.36Å
57	R	58.1	Low	54.2	Low	126 Å²	126	71.6 Å²	71.6	48%	0.475	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	124.3	169.2	-170.8	176.9	127.9	-167	-0.8	108.2	V64 I66 H106	R57-V64 HydrophobicContact CG-CG1 3.46Å; R57-V64 VanDerWaalsContact CG-CG1 3.46Å; R57-I66 HydrophobicContact CG-CG1 4.34Å; R57-H106 VanDerWaalsContact CD-CE1 3.46Å; R57-H106 WeakPolarHBondContact CD-CE1 3.19Å; R57-H106 WeakPolarHBondContact CD-ND1 3.23Å; R57-H106 PolarHBondContact NH1-NE2 3.31Å
58	I	53.3	Low	54.8	Low	85 Å²	85	69.5 Å²	69.5	44%	0.436	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	114.2	-176.2	-56.1	169.5	0	0	0	107	R56 V64 A65	R56-I58 HydrophobicContact CB-CG1 4.5Å; I58-V64 CarbonylContact O-C 3.54Å; I58-V64 WeakPolarHBondContact O-CA 3.24Å; I58-A65 HydrophobicContact CB-CB 4.35Å; I58-A65 PolarHBondContact N-O 3.43Å; I58-A65 PolarHBondContact O-N 2.98Å
59	A	51.3	Low	55.3	Low	74 Å²	74	67.4 Å²	67.4	61%	0.612	35%	0.348	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.6	129.3	173.9	0	0	0	0	0	109.5	S63 V64	A59-S63 CarbonylContact C-O 3.51Å; A59-S63 WeakPolarHBondContact CA-O 3.28Å; A59-V64 HydrophobicContact CB-CG2 4.12Å
60	F	45.4	Very low	55.4	Low	148 Å²	148	67.9 Å²	67.9	65%	0.649	35%	0.353	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144.7	121.9	177.3	-156.6	-96.8	0	0	0	111.6	G62 S63	F60-G62 VanDerWaalsContact C-N 3.34Å; F60-G62 PolarHBondContact O-N 3.35Å; F60-G62 VanDerWaalsContact O-N 3.17Å; F60-S63 PolarHBondContact N-O 3.32Å; F60-S63 PolarHBondContact O-N 3.28Å
61	K	49.2	Very low	55.5	Low	193 Å²	193	69.7 Å²	69.7	84%	0.839	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	40.7	52.9	174.6	-68.9	-169.6	177.7	-176.5	0	115	S63	K61-S63 VanDerWaalsContact C-N 3.28Å; K61-S63 PolarHBondContact O-N 2.79Å
62	G	49.4	Very low	55.1	Low	46 Å²	46	65.1 Å²	65.1	47%	0.474	36%	0.359	S	S	.	.	T	Hydrogen-bonded Turn	trans	86	-11.4	178.5	0	0	0	0	0	114.6	F60 P99	F60-G62 VanDerWaalsContact C-N 3.34Å; F60-G62 PolarHBondContact O-N 3.35Å; F60-G62 VanDerWaalsContact O-N 3.17Å; G62-P99 WeakPolarHBondContact O-CB 3.44Å; G62-P99 WeakPolarHBondContact O-CD 3.48Å; G62-P99 WeakPolarHBondContact O-CG 3.42Å
63	S	46.2	Very low	54.6	Low	31 Å²	31	67.6 Å²	67.6	22%	0.217	39%	0.392	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	149.3	173.3	-61.6	0	0	0	0	110.9	A59 F60 K61 I97	A59-S63 CarbonylContact C-O 3.51Å; A59-S63 WeakPolarHBondContact CA-O 3.28Å; F60-S63 PolarHBondContact N-O 3.32Å; F60-S63 PolarHBondContact O-N 3.28Å; K61-S63 VanDerWaalsContact C-N 3.28Å; K61-S63 PolarHBondContact O-N 2.79Å; S63-I97 CarbonylContact C-O 3.56Å; S63-I97 WeakPolarHBondContact CA-O 3.4Å
64	V	49	Very low	54	Low	5 Å²	5	68.8 Å²	68.8	3%	0.03	40%	0.4	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	117.7	167.3	174	0	0	0	0	108.9	R57 I58 A59 I66 E96 I97 N102	R57-V64 HydrophobicContact CG-CG1 3.46Å; R57-V64 VanDerWaalsContact CG-CG1 3.46Å; I58-V64 CarbonylContact O-C 3.54Å; I58-V64 WeakPolarHBondContact O-CA 3.24Å; A59-V64 HydrophobicContact CB-CG2 4.12Å; V64-I66 HydrophobicContact CG1-CG1 4.37Å; V64-E96 CarbonylContact O-C 3.57Å; V64-I97 HydrophobicContact CB-CB 4.27Å; V64-I97 HydrophobicContact CG1-CD1 4.43Å; V64-I97 PolarHBondContact N-O 2.97Å; V64-I97 WeakPolarHBondContact O-CB 3.38Å; V64-I97 WeakPolarHBondContact O-CG1 3.48Å; V64-I97 PolarHBondContact O-N 2.76Å; V64-N102 WeakPolarHBondContact CG2-ND2 3.42Å
65	A	57	Low	53.7	Low	21 Å²	21	69 Å²	69	17%	0.174	41%	0.412	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.5	137.4	167.8	0	0	0	0	0	110.1	I58 L95	I58-A65 HydrophobicContact CB-CB 4.35Å; I58-A65 PolarHBondContact N-O 3.43Å; I58-A65 PolarHBondContact O-N 2.98Å; A65-L95 VanDerWaalsContact CA-O 3.23Å; A65-L95 WeakPolarHBondContact CA-O 3.34Å
66	I	60.8	Low	53.1	Low	4 Å²	4	71.3 Å²	71.3	2%	0.021	43%	0.43	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	119.4	167.5	-59.9	176.3	0	0	0	107.2	I55 R56 R57 V64 L95 I97 L109	I55-I66 HydrophobicContact CG2-CG2 3.83Å; R56-I66 CarbonylContact O-C 3.55Å; R56-I66 WeakPolarHBondContact O-CA 3.08Å; R57-I66 HydrophobicContact CG-CG1 4.34Å; V64-I66 HydrophobicContact CG1-CG1 4.37Å; I66-L95 PolarHBondContact N-O 2.68Å; I66-L95 PolarHBondContact O-N 2.73Å; I66-I97 HydrophobicContact CD1-CD1 3.5Å; I66-I97 VanDerWaalsContact CD1-CD1 3.5Å; I66-I97 HydrophobicContact CG1-CD1 3.93Å; I66-L109 HydrophobicContact CB-CD2 3.97Å; I66-L109 HydrophobicContact CD1-CB 4.46Å; I66-L109 HydrophobicContact CD1-CD2 3.3Å; I66-L109 HydrophobicContact CD1-CG 4.46Å; I66-L109 HydrophobicContact CG1-CD2 4.15Å; I66-L109 HydrophobicContact CG2-CD2 3.37Å
67	S	61.2	Low	53	Low	26 Å²	26	66.6 Å²	66.6	18%	0.182	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.2	136.8	176.6	-176.5	0	0	0	0	109.1	I55 R56	I55-S67 CarbonylContact C-O 3.57Å; I55-S67 WeakPolarHBondContact CA-O 3.49Å; R56-S67 PolarHBondContact N-O 2.79Å; R56-S67 PolarHBondContact O-N 2.78Å
68	V	61.1	Low	52.4	Low	8 Å²	8	68 Å²	68	5%	0.048	43%	0.431	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.6	117	172.5	-168.3	0	0	0	0	107.6	V49 L54 I55 I77 F81	V49-V68 HydrophobicContact CG1-CG1 3.91Å; L54-V68 WeakPolarHBondContact O-CA 3.47Å; I55-V68 HydrophobicContact CG1-CG1 4.01Å; I55-V68 HydrophobicContact CG1-CG2 4.16Å; V68-I77 HydrophobicContact CB-CD1 4.34Å; V68-I77 HydrophobicContact CG1-CD1 3.44Å; V68-I77 VanDerWaalsContact CG1-CD1 3.44Å; V68-F81 HydrophobicContact CG2-CE1 4.38Å; V68-F81 HydrophobicContact CG2-CZ 4.43Å
69	E	58.4	Low	51.8	Low	76 Å²	76	64.8 Å²	64.8	36%	0.355	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	137.2	179.9	-69	168.6	-171.8	0	0	109	S53 L54 R56	S53-E69 CarbonylContact C-O 3.6Å; S53-E69 VanDerWaalsContact CA-O 3.25Å; S53-E69 WeakPolarHBondContact CA-O 3.19Å; L54-E69 PolarHBondContact N-O 2.87Å; L54-E69 PolarHBondContact O-N 3.31Å; R56-E69 IonicContact CZ-OE1 4Å; R56-E69 IonicContact CZ-OE2 3.24Å; R56-E69 VanDerWaalsContact CZ-OE2 3.24Å; R56-E69 IonicContact NE-OE1 3.47Å; R56-E69 PolarHBondContact NE-OE1 3.07Å; R56-E69 IonicContact NE-OE2 2.95Å; R56-E69 PolarHBondContact NE-OE2 3.21Å; R56-E69 IonicContact NH2-OE2 2.74Å; R56-E69 PolarHBondContact NH2-OE2 3.36Å
70	S	54.7	Low	51.4	Low	37 Å²	37	65 Å²	65	26%	0.259	42%	0.416	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.2	133.4	165.1	-113.1	0	0	0	0	109.1	S74 A75 I77	S70-S74 VanDerWaalsContact CB-OG 3.29Å; S70-S74 WeakPolarHBondContact CB-OG 3.44Å; S70-S74 PolarHBondContact OG-OG 3.22Å; S70-A75 PolarHBondContact OG-O 3.41Å; S70-I77 VanDerWaalsContact OG-CG1 3.28Å; S70-I77 WeakPolarHBondContact OG-CG1 3.45Å
71	L	55.3	Low	51.2	Low	89 Å²	89	60.3 Å²	60.3	47%	0.466	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-60.2	148.2	171.3	-73.6	167.2	0	0	0	110.1	S52 L54 G73 S74	S52-L71 WeakPolarHBondContact O-CB 3.46Å; S52-L71 VanDerWaalsContact O-CD1 3.25Å; S52-L71 WeakPolarHBondContact O-CD1 3.34Å; S52-L71 WeakPolarHBondContact O-CG 3.46Å; S52-L71 PolarHBondContact O-N 2.85Å; L54-L71 HydrophobicContact CD1-CD2 4.17Å; L71-G73 PolarHBondContact O-N 2.84Å; L71-S74 PolarHBondContact N-OG 2.77Å; L71-S74 WeakPolarHBondContact O-CB 3.37Å; L71-S74 PolarHBondContact O-N 3.22Å; L71-S74 PolarHBondContact O-OG 3.44Å
72	A	52.3	Low	50.7	Low	109 Å²	109	53.7 Å²	53.7	90%	0.901	37%	0.373	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.8	129.1	177.9	0	0	0	0	0	110.9
73	G	49	Very low	50.4	Low	94 Å²	94	55.2 Å²	55.2	97%	0.969	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	86.1	-2.8	-176.5	0	0	0	0	0	115.5	L71	L71-G73 PolarHBondContact O-N 2.84Å
74	S	47.9	Very low	50	Low	30 Å²	30	56.3 Å²	56.3	21%	0.21	38%	0.378	C	S	.	.	S	Bend	trans	-93.9	153.1	173	68.3	0	0	0	0	112.5	S52 S70 L71	S52-S74 VanDerWaalsContact OG-CB 3.26Å; S52-S74 WeakPolarHBondContact OG-CB 3.49Å; S70-S74 VanDerWaalsContact CB-OG 3.29Å; S70-S74 WeakPolarHBondContact CB-OG 3.44Å; S70-S74 PolarHBondContact OG-OG 3.22Å; L71-S74 PolarHBondContact N-OG 2.77Å; L71-S74 WeakPolarHBondContact O-CB 3.37Å; L71-S74 PolarHBondContact O-N 3.22Å; L71-S74 PolarHBondContact O-OG 3.44Å
75	A	49.8	Very low	49.4	Very low	75 Å²	75	62.2 Å²	62.2	62%	0.62	42%	0.42	S	S	*	.	P	Polyproline II helix	trans	-55.7	138.4	178.9	0	0	0	0	0	110.4	S70 I77	S70-A75 PolarHBondContact OG-O 3.41Å; A75-I77 PolarHBondContact O-N 3.05Å
76	P	52	Low	48.5	Very low	98 Å²	98	68.5 Å²	68.5	64%	0.636	44%	0.443	S	S	*	.	P	Polyproline II helix	trans	-60.2	134.7	179.3	22.7	-31	0	0	0	110.2	N78	P76-N78 PolarHBondContact O-N 3.24Å
77	I	52	Low	47.4	Very low	23 Å²	23	73.5 Å²	73.5	12%	0.118	48%	0.476	C	S	.	.			trans	-74.1	99.7	177.1	-53.8	170.7	0	0	0	106.7	S53 V68 S70 A75 G79 F93	S53-I77 WeakPolarHBondContact OG-CD1 2.94Å; V68-I77 HydrophobicContact CB-CD1 4.34Å; V68-I77 HydrophobicContact CG1-CD1 3.44Å; V68-I77 VanDerWaalsContact CG1-CD1 3.44Å; S70-I77 VanDerWaalsContact OG-CG1 3.28Å; S70-I77 WeakPolarHBondContact OG-CG1 3.45Å; A75-I77 PolarHBondContact O-N 3.05Å; I77-G79 PolarHBondContact O-N 2.94Å; I77-F93 HydrophobicContact CG2-CE1 4.37Å; I77-F93 WeakPolarHBondContact O-CE1 3.45Å; I77-F93 WeakPolarHBondContact O-CZ 3.29Å
78	N	45.2	Very low	46.6	Very low	155 Å²	155	76 Å²	76	83%	0.829	49%	0.491	S	S	*	.			trans	-87.2	85	172.9	-74.1	-24.1	0	0	0	109	P76	P76-N78 PolarHBondContact O-N 3.24Å
79	G	41.6	Very low	45.4	Very low	19 Å²	19	82.2 Å²	82.2	20%	0.196	52%	0.524	C	S	.	.			trans	-163.2	92.6	179.2	0	0	0	0	0	114.2	I77 F93	I77-G79 PolarHBondContact O-N 2.94Å; G79-F93 VanDerWaalsContact O-CD1 3.27Å; G79-F93 WeakPolarHBondContact O-CD1 3.14Å; G79-F93 WeakPolarHBondContact O-CE1 3.38Å
80	S	41.4	Very low	44.4	Very low	78 Å²	78	88.7 Å²	88.7	55%	0.545	55%	0.551	S	S	.	*			trans	-76.7	137.5	169.6	54.6	0	0	0	0	110.1
81	F	42.8	Very low	43.4	Very low	49 Å²	49	92 Å²	92	22%	0.215	57%	0.574	C	S	.	*			trans	-131.8	134.6	169.2	58	-71	0	0	0	109.3	I47 V68 L95 L109	I47-F81 HydrophobicContact CD1-CB 3.73Å; I47-F81 HydrophobicContact CD1-CD1 3.94Å; I47-F81 HydrophobicContact CD1-CG 3.93Å; V68-F81 HydrophobicContact CG2-CE1 4.38Å; V68-F81 HydrophobicContact CG2-CZ 4.43Å; F81-L95 HydrophobicContact CB-CD1 4.43Å; F81-L95 HydrophobicContact CD2-CD1 2.95Å; F81-L95 HydrophobicContact CD2-CG 4.39Å; F81-L95 HydrophobicContact CE2-CB 4.29Å; F81-L95 HydrophobicContact CE2-CD1 3.1Å; F81-L95 HydrophobicContact CE2-CG 4.31Å; F81-L95 HydrophobicContact CG-CD1 3.78Å; F81-L95 HydrophobicContact CZ-CD1 4.03Å; F81-L95 WeakPolarHBondContact O-CD1 3.23Å; F81-L109 HydrophobicContact CD2-CD1 4.15Å; F81-L109 HydrophobicContact CE2-CD1 3.45Å; F81-L109 VanDerWaalsContact CE2-CD1 3.45Å; F81-L109 HydrophobicContact CE2-CD2 4.45Å; F81-L109 HydrophobicContact CZ-CD1 4.04Å
82	S	37.1	Very low	42.3	Very low	54 Å²	54	92 Å²	92	38%	0.378	58%	0.58	S	S	.	*			trans	-111.4	120	172.3	-171.4	0	0	0	0	106.9	S84 K86	S82-S84 VanDerWaalsContact C-N 3.32Å; S82-S84 PolarHBondContact OG-N 2.87Å; S82-S84 PolarHBondContact OG-O 3.48Å; S82-K86 PolarHBondContact OG-O 3.12Å
83	L	44	Very low	42	Very low	78 Å²	78	89.9 Å²	89.9	41%	0.408	55%	0.55	S	S	.	*			trans	-94.7	3.1	165.6	-60.8	160.6	0	0	0	111.3	L95 V105	L83-L95 HydrophobicContact CB-CD1 4.09Å; L83-L95 HydrophobicContact CB-CD2 3.47Å; L83-L95 VanDerWaalsContact CB-CD2 3.47Å; L83-L95 HydrophobicContact CB-CG 4.38Å; L83-L95 HydrophobicContact CD1-CD1 3.64Å; L83-L95 HydrophobicContact CD1-CD2 3.74Å; L83-L95 HydrophobicContact CD1-CG 4.27Å; L83-L95 HydrophobicContact CG-CD1 3.6Å; L83-L95 HydrophobicContact CG-CD2 3.85Å; L83-L95 HydrophobicContact CG-CG 4.36Å; L83-V105 HydrophobicContact CD1-CG1 3.41Å; L83-V105 VanDerWaalsContact CD1-CG1 3.41Å
84	S	37	Very low	41.5	Very low	54 Å²	54	88.5 Å²	88.5	38%	0.378	53%	0.53	S	S	.	.	S	Bend	trans	-96.4	148.4	171.8	-177.2	0	0	0	0	109.6	S82 K86	S82-S84 VanDerWaalsContact C-N 3.32Å; S82-S84 PolarHBondContact OG-N 2.87Å; S82-S84 PolarHBondContact OG-O 3.48Å; S84-K86 PolarHBondContact O-N 2.73Å; S84-K86 PolarHBondContact OG-N 2.87Å
85	S	37.9	Very low	41.5	Very low	130 Å²	130	87.4 Å²	87.4	91%	0.909	52%	0.522	S	S	*	.	S	Bend	trans	-61.5	-0.8	166.8	51.2	0	0	0	0	113.8
86	K	37.4	Very low	41.1	Very low	153 Å²	153	90.9 Å²	90.9	67%	0.665	53%	0.525	S	S	*	.	S	Bend	trans	-89.1	147.7	176.9	-68.7	178.2	-176.9	166.8	0	111.8	S82 S84	S82-K86 PolarHBondContact OG-O 3.12Å; S84-K86 PolarHBondContact O-N 2.73Å; S84-K86 PolarHBondContact OG-N 2.87Å
87	P	37.2	Very low	40.9	Very low	108 Å²	108	86.6 Å²	86.6	70%	0.701	50%	0.497	S	S	*	.	P	Polyproline II helix	trans	-60.2	144	-174.2	23	-32.8	0	0	0	111.6	L89	P87-L89 PolarHBondContact O-N 2.62Å
88	P	43.6	Very low	40.5	Very low	78 Å²	78	91.8 Å²	91.8	51%	0.506	52%	0.521	S	S	.	.	P	Polyproline II helix	trans	-62.2	121.2	-176.7	23.8	-31.7	0	0	0	110.4	K90	P88-K90 PolarHBondContact O-N 2.95Å
89	L	37	Very low	40.4	Very low	140 Å²	140	87.8 Å²	87.8	73%	0.733	50%	0.503	S	S	*	.	P	Polyproline II helix	trans	-65.7	125.2	170.7	-69.2	171.7	0	0	0	108.4	P87 S91	P87-L89 PolarHBondContact O-N 2.62Å; L89-S91 PolarHBondContact O-N 3.47Å
90	K	37.2	Very low	40.9	Very low	212 Å²	212	91.4 Å²	91.4	92%	0.922	53%	0.531	S	S	*	.	T	Hydrogen-bonded Turn	trans	-66.9	0.1	-162.8	-82.3	179.6	173	176.5	0	116.6	P88	P88-K90 PolarHBondContact O-N 2.95Å
91	S	32.9	Very low	41.3	Very low	106 Å²	106	92 Å²	92	74%	0.741	53%	0.528	S	S	*	.	T	Hydrogen-bonded Turn	trans	-158.1	9.4	-175.4	61.4	0	0	0	0	116.8	L89	L89-S91 PolarHBondContact O-N 3.47Å
92	C	32.1	Very low	41.6	Very low	88 Å²	88	90.9 Å²	90.9	60%	0.595	52%	0.524	S	S	*	.			trans	-124.7	124.2	178.4	-90.2	0	0	0	0	110.8	A94	C92-A94 PolarHBondContact O-N 3.32Å
93	F	46	Very low	42.3	Very low	65 Å²	65	94.6 Å²	94.6	29%	0.285	54%	0.54	S	S	.	.			trans	-77	10.6	175.2	-58.9	-89.3	0	0	0	113.1	I77 G79 L95	I77-F93 HydrophobicContact CG2-CE1 4.37Å; I77-F93 WeakPolarHBondContact O-CE1 3.45Å; I77-F93 WeakPolarHBondContact O-CZ 3.29Å; G79-F93 VanDerWaalsContact O-CD1 3.27Å; G79-F93 WeakPolarHBondContact O-CD1 3.14Å; G79-F93 WeakPolarHBondContact O-CE1 3.38Å; F93-L95 PolarHBondContact O-N 3.27Å
94	A	39.3	Very low	42.6	Very low	66 Å²	66	97.8 Å²	97.8	55%	0.545	55%	0.552	S	S	.	*			trans	-80.1	108	-178.3	0	0	0	0	0	109.4	C92	C92-A94 PolarHBondContact O-N 3.32Å
95	L	48.1	Very low	43.3	Very low	7 Å²	7	96.4 Å²	96.4	4%	0.037	54%	0.541	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.5	101.2	178.8	-141.6	158.5	0	0	0	111	A65 I66 F81 L83 F93 I97	A65-L95 VanDerWaalsContact CA-O 3.23Å; A65-L95 WeakPolarHBondContact CA-O 3.34Å; I66-L95 PolarHBondContact N-O 2.68Å; I66-L95 PolarHBondContact O-N 2.73Å; F81-L95 HydrophobicContact CB-CD1 4.43Å; F81-L95 HydrophobicContact CD2-CD1 2.95Å; F81-L95 HydrophobicContact CD2-CG 4.39Å; F81-L95 HydrophobicContact CE2-CB 4.29Å; F81-L95 HydrophobicContact CE2-CD1 3.1Å; F81-L95 HydrophobicContact CE2-CG 4.31Å; F81-L95 HydrophobicContact CG-CD1 3.78Å; F81-L95 HydrophobicContact CZ-CD1 4.03Å; F81-L95 WeakPolarHBondContact O-CD1 3.23Å; L83-L95 HydrophobicContact CB-CD1 4.09Å; L83-L95 HydrophobicContact CB-CD2 3.47Å; L83-L95 VanDerWaalsContact CB-CD2 3.47Å; L83-L95 HydrophobicContact CB-CG 4.38Å; L83-L95 HydrophobicContact CD1-CD1 3.64Å; L83-L95 HydrophobicContact CD1-CD2 3.74Å; L83-L95 HydrophobicContact CD1-CG 4.27Å; L83-L95 HydrophobicContact CG-CD1 3.6Å; L83-L95 HydrophobicContact CG-CD2 3.85Å; L83-L95 HydrophobicContact CG-CG 4.36Å; F93-L95 PolarHBondContact O-N 3.27Å; L95-I97 HydrophobicContact CD2-CG1 4.09Å; L95-I97 PolarHBondContact O-N 2.86Å
96	E	41	Very low	44	Very low	148 Å²	148	92.6 Å²	92.6	69%	0.692	51%	0.509	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.9	120.5	174.3	-77.7	-170.8	145.2	0	0	111.6	V64	V64-E96 CarbonylContact O-C 3.57Å
97	I	48.9	Very low	44.5	Very low	7 Å²	7	93.8 Å²	93.8	4%	0.036	51%	0.51	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.5	126.8	179.9	-56.4	160.6	0	0	0	107.8	S63 V64 I66 L95 D101 V105	S63-I97 CarbonylContact C-O 3.56Å; S63-I97 WeakPolarHBondContact CA-O 3.4Å; V64-I97 HydrophobicContact CB-CB 4.27Å; V64-I97 HydrophobicContact CG1-CD1 4.43Å; V64-I97 PolarHBondContact N-O 2.97Å; V64-I97 WeakPolarHBondContact O-CB 3.38Å; V64-I97 WeakPolarHBondContact O-CG1 3.48Å; V64-I97 PolarHBondContact O-N 2.76Å; I66-I97 HydrophobicContact CD1-CD1 3.5Å; I66-I97 VanDerWaalsContact CD1-CD1 3.5Å; I66-I97 HydrophobicContact CG1-CD1 3.93Å; L95-I97 HydrophobicContact CD2-CG1 4.09Å; L95-I97 PolarHBondContact O-N 2.86Å; I97-D101 HydrophobicContact CG2-CB 4.34Å; I97-V105 HydrophobicContact CD1-CB 4.28Å; I97-V105 HydrophobicContact CD1-CG1 3.39Å; I97-V105 HydrophobicContact CG1-CG1 3.76Å; I97-V105 HydrophobicContact CG2-CB 3.83Å; I97-V105 HydrophobicContact CG2-CG1 3.97Å; I97-V105 HydrophobicContact CG2-CG2 4.01Å
98	H	43.4	Very low	45.2	Very low	133 Å²	133	95.9 Å²	95.9	62%	0.616	50%	0.504	S	S	*	.			trans	-63.7	148.6	174	-115.7	-94	0	0	0	110.6	A100 D101 N102	H98-A100 PolarHBondContact O-N 2.8Å; H98-D101 PolarHBondContact O-N 3.43Å; H98-D101 VanDerWaalsContact O-N 3.07Å; H98-N102 PolarHBondContact O-N 3.25Å
99	P	42.9	Very low	45.9	Very low	71 Å²	71	92.7 Å²	92.7	46%	0.461	48%	0.482	S	S	.	.	G	3₁₀ helix	trans	-67.4	-27.8	-170.6	23	-21	0	0	0	112.3	G62 D101 N102	G62-P99 WeakPolarHBondContact O-CB 3.44Å; G62-P99 WeakPolarHBondContact O-CD 3.48Å; G62-P99 WeakPolarHBondContact O-CG 3.42Å; P99-D101 VanDerWaalsContact C-N 3.28Å; P99-D101 PolarHBondContact O-N 2.8Å; P99-N102 VanDerWaalsContact O-CB 3.27Å; P99-N102 WeakPolarHBondContact O-CB 3.4Å; P99-N102 PolarHBondContact O-N 2.82Å
100	A	51.6	Low	46.6	Very low	94 Å²	94	88.5 Å²	88.5	78%	0.777	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-66.3	-28.1	176.2	0	0	0	0	0	113.3	H98	H98-A100 PolarHBondContact O-N 2.8Å
101	D	50.6	Low	47.3	Very low	90 Å²	90	83.2 Å²	83.2	48%	0.481	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-99.2	0.3	-176.4	-60.4	-55.4	0	0	0	112.6	I97 H98 P99 D103 H104 V105	I97-D101 HydrophobicContact CG2-CB 4.34Å; H98-D101 PolarHBondContact O-N 3.43Å; H98-D101 VanDerWaalsContact O-N 3.07Å; P99-D101 VanDerWaalsContact C-N 3.28Å; P99-D101 PolarHBondContact O-N 2.8Å; D101-D103 PolarHBondContact O-N 2.82Å; D101-H104 PolarHBondContact O-N 3.34Å; D101-V105 HydrophobicContact CB-CG2 3.94Å; D101-V105 VanDerWaalsContact O-CB 3.28Å; D101-V105 WeakPolarHBondContact O-CB 3.17Å; D101-V105 VanDerWaalsContact O-CG2 3.24Å; D101-V105 WeakPolarHBondContact O-CG2 2.91Å; D101-V105 PolarHBondContact O-N 3.14Å
102	N	48.2	Very low	48.2	Very low	27 Å²	27	79.8 Å²	79.8	14%	0.144	41%	0.414	C	S	.	.	H	α-helix	trans	-57.2	-50.1	-167.7	-169.7	-18	0	0	0	112.8	V64 H98 P99 H106	V64-N102 WeakPolarHBondContact CG2-ND2 3.42Å; H98-N102 PolarHBondContact O-N 3.25Å; P99-N102 VanDerWaalsContact O-CB 3.27Å; P99-N102 WeakPolarHBondContact O-CB 3.4Å; P99-N102 PolarHBondContact O-N 2.82Å; N102-H106 WeakPolarHBondContact O-CB 3.46Å; N102-H106 PolarHBondContact O-N 3Å
103	D	51.6	Low	49.2	Very low	132 Å²	132	76.7 Å²	76.7	71%	0.706	39%	0.392	S	S	*	.	H	α-helix	trans	-66.5	-43.1	-178.2	-76.7	-41.1	0	0	0	112.3	D101 R107	D101-D103 PolarHBondContact O-N 2.82Å; D103-R107 VanDerWaalsContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CB 3.48Å; D103-R107 PolarHBondContact O-N 3.39Å
104	H	49.6	Very low	49.5	Very low	145 Å²	145	82 Å²	82	67%	0.671	42%	0.415	S	S	*	.	H	α-helix	trans	-67.2	-42.4	-179.7	-104.7	64	0	0	0	111.8	D101 R108	D101-H104 PolarHBondContact O-N 3.34Å; H104-R108 WeakPolarHBondContact O-CB 3.44Å; H104-R108 WeakPolarHBondContact O-CG 3.25Å; H104-R108 PolarHBondContact O-N 2.95Å
105	V	52.6	Low	49.8	Very low	24 Å²	24	85.2 Å²	85.2	15%	0.145	41%	0.413	C	S	.	.	H	α-helix	trans	-72.8	-40.3	180	174	0	0	0	0	111.3	L83 I97 D101 R107 R108 L109	L83-V105 HydrophobicContact CD1-CG1 3.41Å; L83-V105 VanDerWaalsContact CD1-CG1 3.41Å; I97-V105 HydrophobicContact CD1-CB 4.28Å; I97-V105 HydrophobicContact CD1-CG1 3.39Å; I97-V105 HydrophobicContact CG1-CG1 3.76Å; I97-V105 HydrophobicContact CG2-CB 3.83Å; I97-V105 HydrophobicContact CG2-CG1 3.97Å; I97-V105 HydrophobicContact CG2-CG2 4.01Å; D101-V105 HydrophobicContact CB-CG2 3.94Å; D101-V105 VanDerWaalsContact O-CB 3.28Å; D101-V105 WeakPolarHBondContact O-CB 3.17Å; D101-V105 VanDerWaalsContact O-CG2 3.24Å; D101-V105 WeakPolarHBondContact O-CG2 2.91Å; D101-V105 PolarHBondContact O-N 3.14Å; V105-R107 PolarHBondContact O-N 2.98Å; V105-R108 PolarHBondContact O-N 2.98Å; V105-L109 WeakPolarHBondContact O-CB 3.05Å; V105-L109 PolarHBondContact O-N 2.74Å
106	H	51.9	Low	49.6	Very low	50 Å²	50	92.6 Å²	92.6	23%	0.231	45%	0.451	C	S	.	.	H	α-helix	trans	-62.4	-44.7	177	-168.9	65.5	0	0	0	111.2	R57 N102 L109 L110	R57-H106 VanDerWaalsContact CD-CE1 3.46Å; R57-H106 WeakPolarHBondContact CD-CE1 3.19Å; R57-H106 WeakPolarHBondContact CD-ND1 3.23Å; R57-H106 PolarHBondContact NH1-NE2 3.31Å; N102-H106 WeakPolarHBondContact O-CB 3.46Å; N102-H106 PolarHBondContact O-N 3Å; H106-L109 PolarHBondContact O-N 2.93Å; H106-L110 WeakPolarHBondContact NE2-CD1 3.29Å; H106-L110 WeakPolarHBondContact O-CB 3.14Å; H106-L110 WeakPolarHBondContact O-CG 3.25Å; H106-L110 PolarHBondContact O-N 2.97Å
107	R	49.1	Very low	50	Low	179 Å²	179	89.8 Å²	89.8	68%	0.675	44%	0.439	S	S	*	.	H	α-helix	trans	-65.2	-43.2	176.9	-156.4	179.4	-168.2	-157.4	3.3	111.7	D103 V105 L110 L111	D103-R107 VanDerWaalsContact O-CB 3.3Å; D103-R107 WeakPolarHBondContact O-CB 3.48Å; D103-R107 PolarHBondContact O-N 3.39Å; V105-R107 PolarHBondContact O-N 2.98Å; R107-L110 PolarHBondContact O-N 3.2Å; R107-L111 HydrophobicContact CG-CD1 4.46Å; R107-L111 WeakPolarHBondContact O-CB 3.26Å; R107-L111 WeakPolarHBondContact O-CD1 3.25Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 3.23Å
108	R	50.9	Low	50.1	Low	152 Å²	152	94.2 Å²	94.2	57%	0.574	46%	0.461	S	S	*	.	H	α-helix	trans	-61.6	-41.7	174	-88	-177.5	165.1	-178.9	-2.9	112.1	H104 V105 L111 L112	H104-R108 WeakPolarHBondContact O-CB 3.44Å; H104-R108 WeakPolarHBondContact O-CG 3.25Å; H104-R108 PolarHBondContact O-N 2.95Å; V105-R108 PolarHBondContact O-N 2.98Å; R108-L111 PolarHBondContact O-N 3.21Å; R108-L112 WeakPolarHBondContact O-CB 3.35Å; R108-L112 WeakPolarHBondContact O-CD1 3.27Å; R108-L112 WeakPolarHBondContact O-CG 3.04Å; R108-L112 PolarHBondContact O-N 2.64Å
109	L	59.6	Low	50.4	Low	11 Å²	11	92 Å²	92	6%	0.058	45%	0.452	C	S	.	.	H	α-helix	trans	-67.1	-45.7	178.5	-168.2	75.3	0	0	0	111.3	I66 F81 V105 H106 L111 L112 L113	I66-L109 HydrophobicContact CB-CD2 3.97Å; I66-L109 HydrophobicContact CD1-CB 4.46Å; I66-L109 HydrophobicContact CD1-CD2 3.3Å; I66-L109 HydrophobicContact CD1-CG 4.46Å; I66-L109 HydrophobicContact CG1-CD2 4.15Å; I66-L109 HydrophobicContact CG2-CD2 3.37Å; F81-L109 HydrophobicContact CD2-CD1 4.15Å; F81-L109 HydrophobicContact CE2-CD1 3.45Å; F81-L109 VanDerWaalsContact CE2-CD1 3.45Å; F81-L109 HydrophobicContact CE2-CD2 4.45Å; F81-L109 HydrophobicContact CZ-CD1 4.04Å; V105-L109 WeakPolarHBondContact O-CB 3.05Å; V105-L109 PolarHBondContact O-N 2.74Å; H106-L109 PolarHBondContact O-N 2.93Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 PolarHBondContact O-N 3.28Å; L109-L112 WeakPolarHBondContact O-CB 3.09Å; L109-L112 PolarHBondContact O-N 3.04Å; L109-L112 VanDerWaalsContact O-N 3.12Å; L109-L113 HydrophobicContact CD2-CD1 4.1Å; L109-L113 HydrophobicContact CG-CD1 3.8Å; L109-L113 HydrophobicContact CG-CG 4.35Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 WeakPolarHBondContact O-CD1 2.95Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 2.77Å
110	L	51.4	Low	50.9	Low	51 Å²	51	93.2 Å²	93.2	27%	0.267	45%	0.452	S	S	.	.	H	α-helix	trans	-60.1	-38.6	176.3	-77.3	165.6	0	0	0	112.4	H106 R107 L113 K114 R115 L116	H106-L110 WeakPolarHBondContact NE2-CD1 3.29Å; H106-L110 WeakPolarHBondContact O-CB 3.14Å; H106-L110 WeakPolarHBondContact O-CG 3.25Å; H106-L110 PolarHBondContact O-N 2.97Å; R107-L110 PolarHBondContact O-N 3.2Å; L110-L113 PolarHBondContact O-N 2.92Å; L110-K114 PolarHBondContact O-N 3.11Å; L110-R115 PolarHBondContact O-N 3.24Å; L110-L116 HydrophobicContact CB-CD1 3.59Å; L110-L116 HydrophobicContact CB-CG 4.17Å; L110-L116 HydrophobicContact CD1-CD1 4.24Å
111	L	52	Low	50.8	Low	102 Å²	102	93.2 Å²	93.2	53%	0.534	43%	0.431	S	S	.	.	H	α-helix	trans	-63.2	-45.4	171.5	-82.3	161.5	0	0	0	112.2	R107 R108 L109 L113 K114	R107-L111 HydrophobicContact CG-CD1 4.46Å; R107-L111 WeakPolarHBondContact O-CB 3.26Å; R107-L111 WeakPolarHBondContact O-CD1 3.25Å; R107-L111 WeakPolarHBondContact O-CG 3.44Å; R107-L111 PolarHBondContact O-N 3.23Å; R108-L111 PolarHBondContact O-N 3.21Å; L109-L111 VanDerWaalsContact C-N 3.28Å; L109-L111 PolarHBondContact O-N 3.28Å; L111-L113 PolarHBondContact O-N 3.4Å; L111-K114 PolarHBondContact O-N 3.04Å
112	L	51.2	Low	50.8	Low	33 Å²	33	93.4 Å²	93.4	17%	0.173	43%	0.428	C	S	.	.	H	α-helix	trans	-61.3	-27.2	176.3	-75.3	163.1	0	0	0	112.4	A44 P46 I47 R108 L109	A44-L112 HydrophobicContact CB-CD1 4.14Å; A44-L112 HydrophobicContact CB-CD2 4.13Å; A44-L112 WeakPolarHBondContact O-CD2 3.29Å; P46-L112 VanDerWaalsContact CA-O 3.29Å; P46-L112 WeakPolarHBondContact CA-O 3.47Å; P46-L112 HydrophobicContact CB-CD2 4.35Å; P46-L112 VanDerWaalsContact CB-O 3.23Å; P46-L112 WeakPolarHBondContact CB-O 3.37Å; P46-L112 HydrophobicContact CG-CD2 4.24Å; I47-L112 PolarHBondContact N-O 2.95Å; R108-L112 WeakPolarHBondContact O-CB 3.35Å; R108-L112 WeakPolarHBondContact O-CD1 3.27Å; R108-L112 WeakPolarHBondContact O-CG 3.04Å; R108-L112 PolarHBondContact O-N 2.64Å; L109-L112 WeakPolarHBondContact O-CB 3.09Å; L109-L112 PolarHBondContact O-N 3.04Å; L109-L112 VanDerWaalsContact O-N 3.12Å
113	L	54.1	Low	51	Low	23 Å²	23	98.1 Å²	98.1	12%	0.12	45%	0.448	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90	-0.1	178.4	-63.7	168.3	0	0	0	113.3	V49 I55 L109 L110 L111 R115	V49-L113 HydrophobicContact CB-CD2 3.54Å; V49-L113 HydrophobicContact CG1-CD2 4.29Å; V49-L113 HydrophobicContact CG2-CD2 3.09Å; I55-L113 HydrophobicContact CD1-CD1 3.64Å; I55-L113 HydrophobicContact CD1-CD2 4.35Å; I55-L113 HydrophobicContact CD1-CG 4.47Å; I55-L113 HydrophobicContact CG1-CD1 4.29Å; I55-L113 HydrophobicContact CG2-CD1 4.45Å; L109-L113 HydrophobicContact CD2-CD1 4.1Å; L109-L113 HydrophobicContact CG-CD1 3.8Å; L109-L113 HydrophobicContact CG-CG 4.35Å; L109-L113 WeakPolarHBondContact O-CB 3.39Å; L109-L113 WeakPolarHBondContact O-CD1 2.95Å; L109-L113 WeakPolarHBondContact O-CG 3.28Å; L109-L113 PolarHBondContact O-N 2.77Å; L110-L113 PolarHBondContact O-N 2.92Å; L111-L113 PolarHBondContact O-N 3.4Å; L113-R115 HydrophobicContact CB-CG 4.46Å; L113-R115 PolarHBondContact O-N 2.97Å
114	K	51.2	Low	51	Low	177 Å²	177	95.5 Å²	95.5	77%	0.77	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	39.2	-175	-64.6	-170.8	172.8	-175.3	0	113.4	L110 L111	L110-K114 PolarHBondContact O-N 3.11Å; L111-K114 PolarHBondContact O-N 3.04Å
115	R	46.6	Very low	51.1	Low	133 Å²	133	91.4 Å²	91.4	50%	0.502	41%	0.408	S	S	.	.			trans	-107.4	13	177.1	-68.8	-157.1	-180	-178.1	4.4	113.7	S53 L110 L113	S53-R115 PolarHBondContact O-NH2 3.35Å; L110-R115 PolarHBondContact O-N 3.24Å; L113-R115 HydrophobicContact CB-CG 4.46Å; L113-R115 PolarHBondContact O-N 2.97Å
116	L	42.5	Very low	50.9	Low	162 Å²	162	97.5 Å²	97.5	85%	0.848	43%	0.432	S	S	*	.			trans	-121.5	0	170.1	-85.3	166.1	0	0	0	109.3	L110	L110-L116 HydrophobicContact CB-CD1 3.59Å; L110-L116 HydrophobicContact CB-CG 4.17Å; L110-L116 HydrophobicContact CD1-CD1 4.24Å

Retrieved 116 of 116 residues in 101.5 ms (Link to these results)

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