A0A077Z6G2_TRITR Loading...

NADH Ubiquinone oxidoreductase Fe S protein

AlphaFold DB , UniProt , Accession A0A077Z6G2, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 145 aa.

						>A0A077Z6G2_TRITR|A0A077Z6G2
MKCLLASLRVCRKNTVALCTNANGDNTPVIPKRPEEVKLGVKKEELGFDAVTHTGQAWDRYDTRRMRFELVAKQVNPNVAMHLIAAVPPIPCKSREATCDGGGGALGHPKVFINLDKPGVHACGYCGLRFYNVNVESDGSQHIQV
					

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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	40.5	Very low	43.4	Very low	242 Å²	242	159.5 Å²	159.5	100%	1.192	87%	0.868	S	S	*	*				0	137.1	0	-71.5	-178.7	176.7	0	0	108.6
2	K	41.1	Very low	43.6	Very low	205 Å²	205	166.4 Å²	166.4	89%	0.891	87%	0.872	S	S	*	*			trans	97.3	79.8	-176.4	-57.6	179.4	179.6	-179.6	0	115.5
3	C	37.3	Very low	43.9	Very low	130 Å²	130	166.2 Å²	166.2	88%	0.878	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-71.2	129.3	153.4	-73.7	0	0	0	0	109.1
4	L	47	Very low	44	Very low	173 Å²	173	166.5 Å²	166.5	91%	0.906	86%	0.863	S	S	*	*	P	Polyproline II helix	trans	-92.7	129.3	167.3	-98.5	119.9	0	0	0	109.5
5	L	45.7	Very low	44	Very low	166 Å²	166	164.1 Å²	164.1	87%	0.869	86%	0.859	S	S	*	*	P	Polyproline II helix	trans	-65.9	133.3	-178.2	-71.7	95.1	0	0	0	112.1	S7	L5-S7 PolarHBondContact O-N 2.87Å
6	A	45.5	Very low	44.4	Very low	106 Å²	106	160.9 Å²	160.9	88%	0.876	85%	0.848	S	S	*	*	P	Polyproline II helix	trans	-75.4	117.1	166.6	0	0	0	0	0	109.9
7	S	47.7	Very low	44.4	Very low	111 Å²	111	156.4 Å²	156.4	78%	0.776	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-91.7	137.1	172.4	-174.6	0	0	0	0	110.9	L5	L5-S7 PolarHBondContact O-N 2.87Å
8	L	38	Very low	44.5	Very low	149 Å²	149	154.3 Å²	154.3	78%	0.78	83%	0.827	S	S	*	*			trans	-39.4	130.8	177.7	-65.3	105.9	0	0	0	115.8
9	R	44.1	Very low	44.5	Very low	243 Å²	243	152.4 Å²	152.4	92%	0.917	83%	0.826	S	S	*	*			trans	-137.9	87.7	146.6	-78.3	-172.4	-175.7	176	1.9	109.3	C11	R9-C11 VanDerWaalsContact C-N 3.34Å; R9-C11 PolarHBondContact O-N 3.02Å
10	V	48.3	Very low	44.6	Very low	130 Å²	130	150.7 Å²	150.7	79%	0.788	82%	0.82	S	S	*	*			trans	-68.1	97.6	161.7	174.2	0	0	0	0	106.7	R12	V10-R12 PolarHBondContact O-N 3.11Å; V10-R12 VanDerWaalsContact O-N 3.11Å
11	C	42.7	Very low	44.7	Very low	99 Å²	99	147.3 Å²	147.3	67%	0.669	80%	0.802	S	S	*	*			trans	-74.2	98.2	178.5	-160.2	0	0	0	0	108.9	R9 K13	R9-C11 VanDerWaalsContact C-N 3.34Å; R9-C11 PolarHBondContact O-N 3.02Å; C11-K13 VanDerWaalsContact C-N 3.33Å; C11-K13 PolarHBondContact O-N 3.03Å
12	R	45	Very low	44.9	Very low	243 Å²	243	140.7 Å²	140.7	92%	0.917	79%	0.785	S	S	*	*			trans	-63.5	90.6	159.1	-83.7	179.9	169.1	-176.8	-2.9	108.7	V10	V10-R12 PolarHBondContact O-N 3.11Å; V10-R12 VanDerWaalsContact O-N 3.11Å
13	K	48.1	Very low	45.2	Very low	163 Å²	163	136.1 Å²	136.1	71%	0.709	77%	0.771	S	S	*	*			trans	-144	121.7	161	-72	-169.5	179.7	-179.9	0	109.1	C11 T15	C11-K13 VanDerWaalsContact C-N 3.33Å; C11-K13 PolarHBondContact O-N 3.03Å; K13-T15 PolarHBondContact O-N 3.48Å
14	N	44.6	Very low	45.8	Very low	171 Å²	171	133.8 Å²	133.8	91%	0.914	77%	0.769	S	S	*	*			trans	-37.9	97.1	163.4	-84.8	-15.7	0	0	0	110.8	V16	N14-V16 PolarHBondContact O-N 3.36Å
15	T	45.3	Very low	45.8	Very low	131 Å²	131	132.2 Å²	132.2	80%	0.804	76%	0.761	S	S	*	*			trans	-91.6	82.7	165.5	47.8	0	0	0	0	107	K13 A17	K13-T15 PolarHBondContact O-N 3.48Å; T15-A17 PolarHBondContact O-N 3.05Å
16	V	50.3	Low	46.1	Very low	112 Å²	112	132.3 Å²	132.3	68%	0.679	76%	0.762	S	S	*	*			trans	-65	92.9	149.5	177.4	0	0	0	0	103.8	N14 L18	N14-V16 PolarHBondContact O-N 3.36Å; V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.02Å
17	A	44.3	Very low	46.4	Very low	84 Å²	84	132.1 Å²	132.1	69%	0.694	75%	0.751	S	S	*	*			trans	-63	102	171.7	0	0	0	0	0	106.3	T15 C19	T15-A17 PolarHBondContact O-N 3.05Å; A17-C19 PolarHBondContact O-N 2.78Å
18	L	45	Very low	46.4	Very low	120 Å²	120	130.8 Å²	130.8	63%	0.628	74%	0.74	S	S	*	*			trans	-58.5	108.2	171.7	-86.2	92.6	0	0	0	108	V16 T20	V16-L18 VanDerWaalsContact C-N 3.33Å; V16-L18 PolarHBondContact O-N 3.02Å; L18-T20 HydrophobicContact CB-CG2 4.24Å; L18-T20 HydrophobicContact CD2-CG2 4.44Å; L18-T20 PolarHBondContact O-N 3.08Å
19	C	45.1	Very low	47.2	Very low	118 Å²	118	128.5 Å²	128.5	80%	0.797	73%	0.731	S	S	*	*			trans	-70.8	89.1	157.2	2.4	0	0	0	0	106.8	A17 N21	A17-C19 PolarHBondContact O-N 2.78Å; C19-N21 PolarHBondContact O-N 2.96Å
20	T	45.9	Very low	47.7	Very low	118 Å²	118	122.4 Å²	122.4	72%	0.724	72%	0.716	S	S	*	*			trans	-74.1	101.4	167.9	50	0	0	0	0	108.1	L18	L18-T20 HydrophobicContact CB-CG2 4.24Å; L18-T20 HydrophobicContact CD2-CG2 4.44Å; L18-T20 PolarHBondContact O-N 3.08Å
21	N	47.8	Very low	48	Very low	79 Å²	79	120.1 Å²	120.1	42%	0.422	70%	0.704	S	S	.	*			trans	-86	137.3	168.4	-94.4	-11.7	0	0	0	110.4	C19 N23 E69 L70	C19-N21 PolarHBondContact O-N 2.96Å; N21-N23 VanDerWaalsContact C-N 3.26Å; N21-N23 PolarHBondContact O-N 3.06Å; N21-E69 WeakPolarHBondContact ND2-CG 3.48Å; N21-L70 WeakPolarHBondContact ND2-CD2 3.4Å
22	A	44.8	Very low	48.7	Very low	103 Å²	103	118.5 Å²	118.5	85%	0.851	69%	0.685	S	S	*	*	S	Bend	trans	-81.8	46.2	-164.7	0	0	0	0	0	114.6
23	N	47.9	Very low	49.4	Very low	110 Å²	110	114.3 Å²	114.3	59%	0.588	67%	0.67	S	S	*	*	S	Bend	trans	-110.1	132.7	168.4	-67	-32.8	0	0	0	108.2	N21 D25	N21-N23 VanDerWaalsContact C-N 3.26Å; N21-N23 PolarHBondContact O-N 3.06Å; N23-D25 PolarHBondContact O-N 3.49Å
24	G	48.9	Very low	50	Low	81 Å²	81	112.2 Å²	112.2	84%	0.835	67%	0.672	S	S	*	*	S	Bend	trans	-62.5	19.2	-158.9	0	0	0	0	0	118.9
25	D	47.3	Very low	50.8	Low	140 Å²	140	112.2 Å²	112.2	75%	0.749	67%	0.667	S	S	*	*			trans	-109.2	98.6	171.4	-68.2	-29.3	0	0	0	108.7	N23 T27	N23-D25 PolarHBondContact O-N 3.49Å; D25-T27 PolarHBondContact O-N 2.98Å
26	N	51.2	Low	51.6	Low	167 Å²	167	109.5 Å²	109.5	89%	0.893	65%	0.645	S	S	*	*			trans	-66.4	31	-175.4	-81.7	-30.8	0	0	0	115.4
27	T	51.8	Low	52.1	Low	102 Å²	102	107.5 Å²	107.5	63%	0.626	63%	0.633	S	S	*	*			trans	-98.6	120.4	170.2	53.3	0	0	0	0	109.9	D25 V29	D25-T27 PolarHBondContact O-N 2.98Å; T27-V29 PolarHBondContact O-N 2.77Å
28	P	47.9	Very low	52.8	Low	84 Å²	84	109.8 Å²	109.8	55%	0.545	63%	0.627	S	S	.	*			trans	-62.3	111.7	172.2	25.8	-31.3	0	0	0	108.5	I30	P28-I30 HydrophobicContact CB-CG1 4.25Å; P28-I30 PolarHBondContact O-N 2.94Å
29	V	54.6	Low	53.8	Low	100 Å²	100	112.1 Å²	112.1	61%	0.606	64%	0.639	S	S	*	*			trans	-75.3	81.9	170.4	-175.7	0	0	0	0	107	T27 P31	T27-V29 PolarHBondContact O-N 2.77Å; V29-P31 WeakPolarHBondContact O-CD 3.39Å
30	I	55	Low	55.1	Low	115 Å²	115	110.3 Å²	110.3	59%	0.59	64%	0.641	S	S	*	*			trans	-68.9	122	173.1	-58.9	175.6	0	0	0	106.5	P28 K32	P28-I30 HydrophobicContact CB-CG1 4.25Å; P28-I30 PolarHBondContact O-N 2.94Å; I30-K32 PolarHBondContact O-N 2.9Å
31	P	55.3	Low	56.5	Low	83 Å²	83	106.2 Å²	106.2	54%	0.539	62%	0.616	S	S	.	*			trans	-57.9	113.1	171	21.9	-29.4	0	0	0	107.3	V29 R33	V29-P31 WeakPolarHBondContact O-CD 3.39Å; P31-R33 PolarHBondContact O-N 2.76Å
32	K	56.7	Low	58.1	Low	65 Å²	65	109 Å²	109	28%	0.283	62%	0.624	S	S	.	*			trans	-54	129.9	179.9	-80.9	177.4	163.5	-154.6	0	108.6	I30 E36 Y61	I30-K32 PolarHBondContact O-N 2.9Å; K32-E36 HydrophobicContact CB-CB 3.81Å; K32-E36 HydrophobicContact CD-CB 4.2Å; K32-E36 WeakPolarHBondContact CD-O 3.39Å; K32-E36 HydrophobicContact CG-CB 3.91Å; K32-E36 PolarHBondContact NZ-O 2.93Å; K32-E36 VanDerWaalsContact NZ-O 3.08Å; K32-Y61 HydrophobicContact CD-CD1 4.2Å
33	R	59.2	Low	59.9	Low	155 Å²	155	111.3 Å²	111.3	59%	0.585	62%	0.615	S	S	*	*			trans	-51.6	148	164.9	-76.5	176.9	-76.8	-148.4	-2.6	107.8	P31 E35 E36	P31-R33 PolarHBondContact O-N 2.76Å; R33-E35 PolarHBondContact O-N 3.47Å; R33-E36 IonicContact CZ-OE1 3.26Å; R33-E36 IonicContact NE-OE1 3.84Å; R33-E36 PolarHBondContact NE-OE1 3.13Å; R33-E36 IonicContact NH2-OE1 2.97Å; R33-E36 PolarHBondContact NH2-OE1 3.24Å; R33-E36 PolarHBondContact O-N 3.28Å
34	P	61.4	Low	61.6	Low	118 Å²	118	113.5 Å²	113.5	77%	0.766	62%	0.622	S	S	*	*	G	3₁₀ helix	trans	-48.7	-27.5	177.6	-29.6	35.9	0	0	0	113.7	E36 V37	P34-E36 VanDerWaalsContact C-N 3.34Å; P34-E36 PolarHBondContact O-N 2.88Å; P34-V37 WeakPolarHBondContact O-CG2 3.38Å
35	E	60.6	Low	63.2	Low	172 Å²	172	113.8 Å²	113.8	80%	0.804	60%	0.601	S	S	*	*	G	3₁₀ helix	trans	-68	-22.8	175.6	-57.3	166.7	-139.4	0	0	114.8	R33	R33-E35 PolarHBondContact O-N 3.47Å
36	E	62	Low	64.9	Low	74 Å²	74	108.9 Å²	108.9	35%	0.346	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-98.2	1.1	-176.3	-66.7	168.4	-159.8	0	0	112.7	K32 R33 P34 K38	K32-E36 HydrophobicContact CB-CB 3.81Å; K32-E36 HydrophobicContact CD-CB 4.2Å; K32-E36 WeakPolarHBondContact CD-O 3.39Å; K32-E36 HydrophobicContact CG-CB 3.91Å; K32-E36 PolarHBondContact NZ-O 2.93Å; K32-E36 VanDerWaalsContact NZ-O 3.08Å; R33-E36 IonicContact CZ-OE1 3.26Å; R33-E36 IonicContact NE-OE1 3.84Å; R33-E36 PolarHBondContact NE-OE1 3.13Å; R33-E36 IonicContact NH2-OE1 2.97Å; R33-E36 PolarHBondContact NH2-OE1 3.24Å; R33-E36 PolarHBondContact O-N 3.28Å; P34-E36 VanDerWaalsContact C-N 3.34Å; P34-E36 PolarHBondContact O-N 2.88Å; E36-K38 PolarHBondContact O-N 3.33Å
37	V	61	Low	66.6	Low	70 Å²	70	102.7 Å²	102.7	42%	0.424	55%	0.551	S	S	.	*			trans	-63.3	107.5	172.4	179.5	0	0	0	0	107.8	P34 L39	P34-V37 WeakPolarHBondContact O-CG2 3.38Å; V37-L39 PolarHBondContact O-N 3.48Å
38	K	60.2	Low	68.5	Low	132 Å²	132	102.5 Å²	102.5	57%	0.574	54%	0.541	S	S	*	.			trans	-68.3	105.4	175.8	-74.3	-172.6	175.8	-173.8	0	107.8	E36 V41	E36-K38 PolarHBondContact O-N 3.33Å; K38-V41 HydrophobicContact CB-CG2 3.52Å; K38-V41 HydrophobicContact CD-CG2 4.45Å; K38-V41 WeakPolarHBondContact O-CG2 3.29Å
39	L	65.6	Low	70.5	Confident	168 Å²	168	100 Å²	100	88%	0.88	52%	0.523	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.7	135.9	163.6	-65.5	169.5	0	0	0	108	V37	V37-L39 PolarHBondContact O-N 3.48Å
40	G	71.8	Confident	72.3	Confident	81 Å²	81	97.8 Å²	97.8	84%	0.835	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	88.9	21.1	178.9	0	0	0	0	0	116.1	K42	G40-K42 PolarHBondContact O-N 2.91Å
41	V	75.3	Confident	74.2	Confident	31 Å²	31	96.3 Å²	96.3	19%	0.188	51%	0.512	C	S	.	.			trans	-65.2	131.3	169.2	177	0	0	0	0	109.8	K38 E45 L46 Y61	K38-V41 HydrophobicContact CB-CG2 3.52Å; K38-V41 HydrophobicContact CD-CG2 4.45Å; K38-V41 WeakPolarHBondContact O-CG2 3.29Å; V41-E45 HydrophobicContact CG1-CB 3.6Å; V41-L46 HydrophobicContact CB-CD2 4.17Å; V41-L46 HydrophobicContact CG1-CD2 3.79Å; V41-L46 HydrophobicContact CG1-CG 4.25Å; V41-Y61 HydrophobicContact CB-CE2 4.44Å; V41-Y61 HydrophobicContact CG1-CD2 4.39Å; V41-Y61 HydrophobicContact CG1-CE2 3.79Å; V41-Y61 HydrophobicContact CG2-CD2 4.33Å; V41-Y61 HydrophobicContact CG2-CE2 3.95Å
42	K	81.7	Confident	76.2	Confident	137 Å²	137	93.9 Å²	93.9	60%	0.596	50%	0.495	S	S	*	.			trans	-66.5	148.4	175.1	-66	-176.9	178.1	176.6	0	110.9	G40 E44 E45 L46	G40-K42 PolarHBondContact O-N 2.91Å; K42-E44 WeakPolarHBondContact CB-OE2 3.25Å; K42-E44 PolarHBondContact O-N 3.04Å; K42-E44 VanDerWaalsContact O-N 3.13Å; K42-E45 HydrophobicContact CB-CG 4.38Å; K42-E45 WeakPolarHBondContact O-CB 3.44Å; K42-E45 PolarHBondContact O-N 2.78Å; K42-L46 PolarHBondContact O-N 3Å
43	K	81.8	Confident	78	Confident	153 Å²	153	97 Å²	97	67%	0.665	51%	0.511	S	S	*	.	G	3₁₀ helix	trans	-56.9	-35.1	-176	-175.4	178.5	178.2	-179.5	0	112.3	E45 L46	K43-E45 PolarHBondContact O-N 3.26Å; K43-L46 WeakPolarHBondContact O-CB 3.48Å; K43-L46 PolarHBondContact O-N 3.05Å
44	E	83.7	Confident	79.8	Confident	156 Å²	156	95.2 Å²	95.2	73%	0.729	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-66.4	-25.8	179.6	-56.2	70.6	-139.8	0	0	112	K42	K42-E44 WeakPolarHBondContact CB-OE2 3.25Å; K42-E44 PolarHBondContact O-N 3.04Å; K42-E44 VanDerWaalsContact O-N 3.13Å
45	E	82.5	Confident	81.4	Confident	86 Å²	86	92.1 Å²	92.1	40%	0.402	51%	0.507	S	S	.	.	G	3₁₀ helix	trans	-90.8	-4.1	179.6	-65.3	176.4	-150	0	0	113.3	V41 K42 K43 G47 R60	V41-E45 HydrophobicContact CG1-CB 3.6Å; K42-E45 HydrophobicContact CB-CG 4.38Å; K42-E45 WeakPolarHBondContact O-CB 3.44Å; K42-E45 PolarHBondContact O-N 2.78Å; K43-E45 PolarHBondContact O-N 3.26Å; E45-G47 VanDerWaalsContact C-N 3.34Å; E45-R60 PolarHBondContact O-NE 3.01Å; E45-R60 PolarHBondContact O-NH2 3.08Å
46	L	84.4	Confident	83	Confident	37 Å²	37	87.1 Å²	87.1	19%	0.194	48%	0.483	C	S	.	.	S	Bend	trans	-71.6	-29.5	-177.4	-73.3	176.1	0	0	0	112.5	V41 K42 K43 F48 D59 R60 Y61	V41-L46 HydrophobicContact CB-CD2 4.17Å; V41-L46 HydrophobicContact CG1-CD2 3.79Å; V41-L46 HydrophobicContact CG1-CG 4.25Å; K42-L46 PolarHBondContact O-N 3Å; K43-L46 WeakPolarHBondContact O-CB 3.48Å; K43-L46 PolarHBondContact O-N 3.05Å; L46-F48 HydrophobicContact CB-CD2 4.46Å; L46-F48 HydrophobicContact CB-CE1 4.37Å; L46-F48 HydrophobicContact CB-CE2 3.76Å; L46-F48 HydrophobicContact CB-CZ 3.71Å; L46-F48 HydrophobicContact CD1-CE1 4.46Å; L46-F48 HydrophobicContact CD1-CE2 4.25Å; L46-F48 HydrophobicContact CD1-CZ 3.63Å; L46-F48 HydrophobicContact CG-CZ 4.33Å; L46-D59 HydrophobicContact CB-CB 3.84Å; L46-D59 HydrophobicContact CD2-CB 4.04Å; L46-D59 HydrophobicContact CG-CB 4.39Å; L46-R60 VanDerWaalsContact O-CG 3.25Å; L46-R60 WeakPolarHBondContact O-CG 3.48Å; L46-R60 PolarHBondContact O-N 2.65Å; L46-Y61 HydrophobicContact CD2-CD2 4.21Å
47	G	86.8	Confident	84.5	Confident	38 Å²	38	84.6 Å²	84.6	39%	0.392	48%	0.475	S	S	.	.			trans	49.8	89.5	177.7	0	0	0	0	0	112.9	E45 R60 R65	E45-G47 VanDerWaalsContact C-N 3.34Å; G47-R60 PolarHBondContact O-N 3.44Å; G47-R65 PolarHBondContact O-NH1 3.26Å; G47-R65 PolarHBondContact O-NH2 3.19Å
48	F	90.8	Very high	86	Confident	98 Å²	98	83.3 Å²	83.3	43%	0.43	46%	0.463	S	S	.	.			trans	-83.2	157.4	-171.1	-68.2	-79.9	0	0	0	114.2	L46 A57 W58 D59 R65	L46-F48 HydrophobicContact CB-CD2 4.46Å; L46-F48 HydrophobicContact CB-CE1 4.37Å; L46-F48 HydrophobicContact CB-CE2 3.76Å; L46-F48 HydrophobicContact CB-CZ 3.71Å; L46-F48 HydrophobicContact CD1-CE1 4.46Å; L46-F48 HydrophobicContact CD1-CE2 4.25Å; L46-F48 HydrophobicContact CD1-CZ 3.63Å; L46-F48 HydrophobicContact CG-CZ 4.33Å; F48-A57 HydrophobicContact CB-CB 3.8Å; F48-A57 HydrophobicContact CD1-CB 3.8Å; F48-A57 HydrophobicContact CG-CB 4.13Å; F48-W58 WeakPolarHBondContact CA-O 3.46Å; F48-D59 HydrophobicContact CD1-CB 4.15Å; F48-D59 HydrophobicContact CE1-CB 3.86Å; F48-D59 HydrophobicContact CZ-CB 4.49Å; F48-R65 VanDerWaalsContact C-NH2 3.3Å
49	D	91.2	Very high	87.5	Confident	31 Å²	31	78.7 Å²	78.7	17%	0.166	44%	0.444	C	S	.	.			trans	-80	-171.8	169.4	73.9	-10.9	0	0	0	111.4	V51 A57 W58 R65 K73	D49-V51 PolarHBondContact O-N 2.71Å; D49-V51 VanDerWaalsContact O-N 3.11Å; D49-A57 WeakPolarHBondContact OD1-CA 3.25Å; D49-A57 VanDerWaalsContact OD1-CB 3.23Å; D49-A57 WeakPolarHBondContact OD1-CB 3.43Å; D49-W58 PolarHBondContact N-O 2.68Å; D49-W58 VanDerWaalsContact N-O 3.09Å; D49-W58 PolarHBondContact OD1-N 3.39Å; D49-W58 VanDerWaalsContact OD2-CD1 3.26Å; D49-R65 VanDerWaalsContact N-NH2 3.11Å; D49-K73 IonicContact OD1-NZ 2.78Å; D49-K73 PolarHBondContact OD1-NZ 2.94Å; D49-K73 WeakPolarHBondContact OD2-CD 3.42Å; D49-K73 IonicContact OD2-NZ 3.8Å; D49-K73 PolarHBondContact OD2-NZ 3.34Å
50	A	92.3	Very high	88.5	Confident	53 Å²	53	76.5 Å²	76.5	44%	0.438	42%	0.424	S	S	.	.	P	Polyproline II helix	trans	-56.6	117.5	177.8	0	0	0	0	0	111.3	K73 V75	A50-K73 VanDerWaalsContact O-CE 3.31Å; A50-K73 WeakPolarHBondContact O-CE 3.31Å; A50-K73 PolarHBondContact O-NZ 3.05Å; A50-V75 HydrophobicContact CB-CG2 3.87Å
51	V	94.4	Very high	89.1	Confident	84 Å²	84	75.2 Å²	75.2	51%	0.509	40%	0.395	S	S	.	.	P	Polyproline II helix	trans	-74.6	129.7	-177.2	-173.6	0	0	0	0	109.9	D49 A57	D49-V51 PolarHBondContact O-N 2.71Å; D49-V51 VanDerWaalsContact O-N 3.11Å; V51-A57 HydrophobicContact CG2-CB 4.04Å
52	T	96.3	Very high	89.7	Confident	32 Å²	32	74.9 Å²	74.9	20%	0.196	39%	0.392	C	S	.	.	P	Polyproline II helix	trans	-73.8	164.9	175.5	67.6	0	0	0	0	111.5	T54 G55 Q56	T52-T54 PolarHBondContact O-N 3.29Å; T52-G55 PolarHBondContact O-N 2.77Å; T52-Q56 PolarHBondContact N-O 3.01Å; T52-Q56 WeakPolarHBondContact OG1-CB 3.25Å; T52-Q56 PolarHBondContact OG1-N 3.32Å; T52-Q56 VanDerWaalsContact OG1-N 3.16Å
53	H	95.9	Very high	90.1	Very high	132 Å²	132	73 Å²	73	61%	0.611	39%	0.392	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.8	-19.5	175.5	64.2	-90.6	0	0	0	114	V79	H53-V79 HydrophobicContact CB-CB 4.48Å; H53-V79 HydrophobicContact CB-CG1 4.07Å; H53-V79 HydrophobicContact CB-CG2 3.99Å
54	T	96.3	Very high	90.5	Very high	117 Å²	117	71.8 Å²	71.8	72%	0.718	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.4	-12.5	173.5	-37.6	0	0	0	0	113	T52	T52-T54 PolarHBondContact O-N 3.29Å
55	G	94.2	Very high	90.8	Very high	53 Å²	53	67.1 Å²	67.1	55%	0.546	36%	0.359	S	S	.	.	S	Bend	trans	94.2	7.9	-175.3	0	0	0	0	0	115	T52	T52-G55 PolarHBondContact O-N 2.77Å
56	Q	94.9	Very high	91.1	Very high	66 Å²	66	67.5 Å²	67.5	31%	0.308	36%	0.362	S	S	.	.			trans	-80	133.1	179.2	-172	-78.9	-26.7	0	0	111	T52 K73	T52-Q56 PolarHBondContact N-O 3.01Å; T52-Q56 WeakPolarHBondContact OG1-CB 3.25Å; T52-Q56 PolarHBondContact OG1-N 3.32Å; T52-Q56 VanDerWaalsContact OG1-N 3.16Å; Q56-K73 PolarHBondContact O-NZ 3.1Å; Q56-K73 VanDerWaalsContact OE1-NZ 3.09Å
57	A	94	Very high	91.5	Very high	21 Å²	21	73.5 Å²	73.5	17%	0.174	38%	0.382	C	S	.	.			trans	-147.4	151.3	168.7	0	0	0	0	0	110.3	F48 D49 V51	F48-A57 HydrophobicContact CB-CB 3.8Å; F48-A57 HydrophobicContact CD1-CB 3.8Å; F48-A57 HydrophobicContact CG-CB 4.13Å; D49-A57 WeakPolarHBondContact OD1-CA 3.25Å; D49-A57 VanDerWaalsContact OD1-CB 3.23Å; D49-A57 WeakPolarHBondContact OD1-CB 3.43Å; V51-A57 HydrophobicContact CG2-CB 4.04Å
58	W	92.9	Very high	91.8	Very high	44 Å²	44	74.7 Å²	74.7	17%	0.167	38%	0.376	C	S	.	.			trans	-86.9	139	170.2	-58.2	111.6	0	0	0	108.3	F48 D49 D62 R64 R65 F68	F48-W58 WeakPolarHBondContact CA-O 3.46Å; D49-W58 PolarHBondContact N-O 2.68Å; D49-W58 VanDerWaalsContact N-O 3.09Å; D49-W58 PolarHBondContact OD1-N 3.39Å; D49-W58 VanDerWaalsContact OD2-CD1 3.26Å; W58-D62 HydrophobicContact CB-CB 4.5Å; W58-D62 HydrophobicContact CE3-CB 4.46Å; W58-D62 WeakPolarHBondContact CZ3-OD2 3.44Å; W58-R64 HydrophobicContact CD2-CB 4.3Å; W58-R64 HydrophobicContact CE3-CB 4.24Å; W58-R64 HydrophobicContact CH2-CB 4.36Å; W58-R64 HydrophobicContact CZ2-CB 4.41Å; W58-R64 HydrophobicContact CZ3-CB 4.33Å; W58-R65 HydrophobicContact CB-CB 4.12Å; W58-R65 PolarHBondContact O-NH2 3.11Å; W58-F68 AromaticContact CD1-CE2 3.68Å; W58-F68 AromaticContact NE1-CE2 3.54Å
59	D	90.8	Very high	91.7	Very high	35 Å²	35	73.3 Å²	73.3	19%	0.187	37%	0.371	C	S	.	.			trans	-81.1	169.9	169.3	68.2	82.2	0	0	0	111.3	L46 F48 Y61 D62 R65	L46-D59 HydrophobicContact CB-CB 3.84Å; L46-D59 HydrophobicContact CD2-CB 4.04Å; L46-D59 HydrophobicContact CG-CB 4.39Å; F48-D59 HydrophobicContact CD1-CB 4.15Å; F48-D59 HydrophobicContact CE1-CB 3.86Å; F48-D59 HydrophobicContact CZ-CB 4.49Å; D59-Y61 PolarHBondContact O-N 3.43Å; D59-Y61 VanDerWaalsContact OD1-CA 3.25Å; D59-Y61 WeakPolarHBondContact OD1-CA 3.25Å; D59-Y61 VanDerWaalsContact OD1-CB 3.29Å; D59-Y61 WeakPolarHBondContact OD1-CB 3.46Å; D59-Y61 PolarHBondContact OD1-N 2.92Å; D59-D62 PolarHBondContact O-N 2.98Å; D59-D62 PolarHBondContact OD1-N 2.92Å; D59-R65 VanDerWaalsContact O-CZ 3.3Å; D59-R65 PolarHBondContact O-NE 2.92Å; D59-R65 VanDerWaalsContact O-NE 3.08Å; D59-R65 PolarHBondContact O-NH2 2.83Å
60	R	86.9	Confident	91.7	Very high	121 Å²	121	78.6 Å²	78.6	46%	0.457	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.9	-17.1	-176.9	74.6	-172.6	169.8	165.1	-6.2	114.8	E45 L46 G47 R65	E45-R60 PolarHBondContact O-NE 3.01Å; E45-R60 PolarHBondContact O-NH2 3.08Å; L46-R60 VanDerWaalsContact O-CG 3.25Å; L46-R60 WeakPolarHBondContact O-CG 3.48Å; L46-R60 PolarHBondContact O-N 2.65Å; G47-R60 PolarHBondContact O-N 3.44Å; R60-R65 VanDerWaalsContact CB-NH1 3.34Å
61	Y	84.1	Confident	91.7	Very high	55 Å²	55	80.7 Å²	80.7	22%	0.216	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-12.2	179.3	-56.4	-67	0	0	0	112.3	K32 V41 L46 D59 T63	K32-Y61 HydrophobicContact CD-CD1 4.2Å; V41-Y61 HydrophobicContact CB-CE2 4.44Å; V41-Y61 HydrophobicContact CG1-CD2 4.39Å; V41-Y61 HydrophobicContact CG1-CE2 3.79Å; V41-Y61 HydrophobicContact CG2-CD2 4.33Å; V41-Y61 HydrophobicContact CG2-CE2 3.95Å; L46-Y61 HydrophobicContact CD2-CD2 4.21Å; D59-Y61 PolarHBondContact O-N 3.43Å; D59-Y61 VanDerWaalsContact OD1-CA 3.25Å; D59-Y61 WeakPolarHBondContact OD1-CA 3.25Å; D59-Y61 VanDerWaalsContact OD1-CB 3.29Å; D59-Y61 WeakPolarHBondContact OD1-CB 3.46Å; D59-Y61 PolarHBondContact OD1-N 2.92Å; Y61-T63 PolarHBondContact O-N 2.65Å
62	D	88.6	Confident	91.6	Very high	23 Å²	23	80 Å²	80	12%	0.123	41%	0.409	C	S	.	.			trans	-70.9	115.2	174.8	-162.2	-36.5	0	0	0	111.2	W58 D59 R64 R65	W58-D62 HydrophobicContact CB-CB 4.5Å; W58-D62 HydrophobicContact CE3-CB 4.46Å; W58-D62 WeakPolarHBondContact CZ3-OD2 3.44Å; D59-D62 PolarHBondContact O-N 2.98Å; D59-D62 PolarHBondContact OD1-N 2.92Å; D62-R64 PolarHBondContact O-N 2.85Å; D62-R64 VanDerWaalsContact O-N 3.1Å; D62-R64 WeakPolarHBondContact OD1-CB 3.38Å; D62-R64 VanDerWaalsContact OD1-CG 3.25Å; D62-R64 WeakPolarHBondContact OD1-CG 3.46Å; D62-R64 IonicContact OD1-CZ 2.96Å; D62-R64 PolarHBondContact OD1-N 3.25Å; D62-R64 IonicContact OD1-NE 2.65Å; D62-R64 PolarHBondContact OD1-NE 3.06Å; D62-R64 IonicContact OD1-NH2 3.19Å; D62-R64 IonicContact OD2-CZ 3.47Å; D62-R64 IonicContact OD2-NE 3.83Å; D62-R64 PolarHBondContact OD2-NE 3.09Å; D62-R64 IonicContact OD2-NH2 3.06Å; D62-R64 PolarHBondContact OD2-NH2 2.84Å; D62-R65 VanDerWaalsContact O-CB 3.25Å; D62-R65 WeakPolarHBondContact O-CB 3.14Å; D62-R65 PolarHBondContact O-N 3.41Å
63	T	88.8	Confident	91.5	Very high	97 Å²	97	80 Å²	80	60%	0.595	41%	0.406	S	S	*	.	G	3₁₀ helix	trans	-59.4	-23.9	178.3	57.5	0	0	0	0	112.7	Y61 R65 M66	Y61-T63 PolarHBondContact O-N 2.65Å; T63-R65 PolarHBondContact O-N 3.26Å; T63-M66 WeakPolarHBondContact O-CB 3.23Å; T63-M66 WeakPolarHBondContact O-CG 3.16Å; T63-M66 PolarHBondContact O-N 2.95Å
64	R	90.4	Very high	91.5	Very high	129 Å²	129	81.7 Å²	81.7	49%	0.487	41%	0.414	S	S	.	.	G	3₁₀ helix	trans	-65.8	-20.4	177.3	-62.3	173.7	-75.9	-172	-2.9	112.6	W58 D62 M66 R67	W58-R64 HydrophobicContact CD2-CB 4.3Å; W58-R64 HydrophobicContact CE3-CB 4.24Å; W58-R64 HydrophobicContact CH2-CB 4.36Å; W58-R64 HydrophobicContact CZ2-CB 4.41Å; W58-R64 HydrophobicContact CZ3-CB 4.33Å; D62-R64 PolarHBondContact O-N 2.85Å; D62-R64 VanDerWaalsContact O-N 3.1Å; D62-R64 WeakPolarHBondContact OD1-CB 3.38Å; D62-R64 VanDerWaalsContact OD1-CG 3.25Å; D62-R64 WeakPolarHBondContact OD1-CG 3.46Å; D62-R64 IonicContact OD1-CZ 2.96Å; D62-R64 PolarHBondContact OD1-N 3.25Å; D62-R64 IonicContact OD1-NE 2.65Å; D62-R64 PolarHBondContact OD1-NE 3.06Å; D62-R64 IonicContact OD1-NH2 3.19Å; D62-R64 IonicContact OD2-CZ 3.47Å; D62-R64 IonicContact OD2-NE 3.83Å; D62-R64 PolarHBondContact OD2-NE 3.09Å; D62-R64 IonicContact OD2-NH2 3.06Å; D62-R64 PolarHBondContact OD2-NH2 2.84Å; R64-M66 VanDerWaalsContact C-N 3.27Å; R64-M66 PolarHBondContact O-N 3.46Å; R64-R67 WeakPolarHBondContact O-CG 3.16Å; R64-R67 PolarHBondContact O-NE 3.24Å
65	R	89.7	Confident	91.5	Very high	57 Å²	57	78.4 Å²	78.4	22%	0.215	39%	0.394	C	S	.	.	G	3₁₀ helix	trans	-62.9	-30	175.4	-177.9	-176.6	-79.8	-165.3	-3.6	112.8	G47 F48 D49 W58 D59 R60 D62 T63 R67 F68	G47-R65 PolarHBondContact O-NH1 3.26Å; G47-R65 PolarHBondContact O-NH2 3.19Å; F48-R65 VanDerWaalsContact C-NH2 3.3Å; D49-R65 VanDerWaalsContact N-NH2 3.11Å; W58-R65 HydrophobicContact CB-CB 4.12Å; W58-R65 PolarHBondContact O-NH2 3.11Å; D59-R65 VanDerWaalsContact O-CZ 3.3Å; D59-R65 PolarHBondContact O-NE 2.92Å; D59-R65 VanDerWaalsContact O-NE 3.08Å; D59-R65 PolarHBondContact O-NH2 2.83Å; R60-R65 VanDerWaalsContact CB-NH1 3.34Å; D62-R65 VanDerWaalsContact O-CB 3.25Å; D62-R65 WeakPolarHBondContact O-CB 3.14Å; D62-R65 PolarHBondContact O-N 3.41Å; T63-R65 PolarHBondContact O-N 3.26Å; R65-R67 PolarHBondContact O-N 2.97Å; R65-F68 PolarHBondContact O-N 2.89Å
66	M	90	Very high	91.6	Very high	95 Å²	95	80.2 Å²	80.2	47%	0.468	39%	0.391	S	S	.	.	G	3₁₀ helix	trans	-52.8	-26.2	-176.9	-71.2	-63.4	-66.2	0	0	113.9	T63 R64 F68 E69	T63-M66 WeakPolarHBondContact O-CB 3.23Å; T63-M66 WeakPolarHBondContact O-CG 3.16Å; T63-M66 PolarHBondContact O-N 2.95Å; R64-M66 VanDerWaalsContact C-N 3.27Å; R64-M66 PolarHBondContact O-N 3.46Å; M66-F68 PolarHBondContact O-N 3.16Å; M66-E69 WeakPolarHBondContact O-CB 3.14Å; M66-E69 PolarHBondContact O-N 2.77Å
67	R	91.5	Very high	91.6	Very high	163 Å²	163	82.3 Å²	82.3	62%	0.615	41%	0.41	S	S	*	.	G	3₁₀ helix	trans	-62	-21.8	176.4	77.6	-178.2	68.2	-168.2	-6.5	114	R64 R65	R64-R67 WeakPolarHBondContact O-CG 3.16Å; R64-R67 PolarHBondContact O-NE 3.24Å; R65-R67 PolarHBondContact O-N 2.97Å
68	F	93.3	Very high	91.8	Very high	63 Å²	63	86.3 Å²	86.3	28%	0.276	43%	0.429	S	S	.	.	G	3₁₀ helix	trans	-104.7	6.9	-177.6	-56.5	-64.4	0	0	0	113.3	W58 R65 M66 V71 K73	W58-F68 AromaticContact CD1-CE2 3.68Å; W58-F68 AromaticContact NE1-CE2 3.54Å; R65-F68 PolarHBondContact O-N 2.89Å; M66-F68 PolarHBondContact O-N 3.16Å; F68-V71 CarbonylContact C-O 3.58Å; F68-V71 WeakPolarHBondContact CA-O 3.5Å; F68-V71 WeakPolarHBondContact CB-O 3.4Å; F68-V71 CarbonylContact O-C 3.32Å; F68-K73 HydrophobicContact CD1-CB 3.83Å; F68-K73 HydrophobicContact CD1-CG 4.41Å; F68-K73 HydrophobicContact CD2-CB 4.38Å; F68-K73 HydrophobicContact CE1-CB 4.04Å; F68-K73 HydrophobicContact CE1-CG 4.13Å; F68-K73 HydrophobicContact CE2-CD 4.37Å; F68-K73 HydrophobicContact CE2-CG 4.4Å; F68-K73 HydrophobicContact CG-CB 4.01Å; F68-K73 HydrophobicContact CZ-CB 4.41Å; F68-K73 HydrophobicContact CZ-CG 4.11Å
69	E	89	Confident	91.9	Very high	69 Å²	69	85.8 Å²	85.8	32%	0.322	43%	0.431	S	S	.	.	S	Bend	trans	-67.6	-38.8	-178.9	-172.2	64.6	-163.5	0	0	112	N21 M66	N21-E69 WeakPolarHBondContact ND2-CG 3.48Å; M66-E69 WeakPolarHBondContact O-CB 3.14Å; M66-E69 PolarHBondContact O-N 2.77Å
70	L	91.2	Very high	92.2	Very high	141 Å²	141	87.6 Å²	87.6	74%	0.738	45%	0.45	S	S	*	.	S	Bend	trans	-93.3	-23	179	-63.2	176.8	0	0	0	113.2	N21	N21-L70 WeakPolarHBondContact ND2-CD2 3.4Å
71	V	92.4	Very high	92.6	Very high	98 Å²	98	88.8 Å²	88.8	59%	0.594	46%	0.463	S	S	*	.	S	Bend	trans	-136	128.3	-174.2	-178.7	0	0	0	0	109.7	F68	F68-V71 CarbonylContact C-O 3.58Å; F68-V71 WeakPolarHBondContact CA-O 3.5Å; F68-V71 WeakPolarHBondContact CB-O 3.4Å; F68-V71 CarbonylContact O-C 3.32Å
72	A	92.1	Very high	93.2	Very high	70 Å²	70	92.6 Å²	92.6	58%	0.579	48%	0.482	S	S	*	.	P	Polyproline II helix	trans	-61.5	136.9	-178.6	0	0	0	0	0	112.8	Q74	A72-Q74 PolarHBondContact O-N 3.37Å; A72-Q74 PolarHBondContact O-NE2 3.14Å; A72-Q74 VanDerWaalsContact O-NE2 3.14Å
73	K	95	Very high	93.6	Very high	32 Å²	32	96.4 Å²	96.4	14%	0.139	50%	0.502	C	S	.	.	P	Polyproline II helix	trans	-60.8	119.2	170.6	-178.4	178.8	178.7	-174.7	0	109.7	D49 A50 Q56 F68 V75	D49-K73 IonicContact OD1-NZ 2.78Å; D49-K73 PolarHBondContact OD1-NZ 2.94Å; D49-K73 WeakPolarHBondContact OD2-CD 3.42Å; D49-K73 IonicContact OD2-NZ 3.8Å; D49-K73 PolarHBondContact OD2-NZ 3.34Å; A50-K73 VanDerWaalsContact O-CE 3.31Å; A50-K73 WeakPolarHBondContact O-CE 3.31Å; A50-K73 PolarHBondContact O-NZ 3.05Å; Q56-K73 PolarHBondContact O-NZ 3.1Å; Q56-K73 VanDerWaalsContact OE1-NZ 3.09Å; F68-K73 HydrophobicContact CD1-CB 3.83Å; F68-K73 HydrophobicContact CD1-CG 4.41Å; F68-K73 HydrophobicContact CD2-CB 4.38Å; F68-K73 HydrophobicContact CE1-CB 4.04Å; F68-K73 HydrophobicContact CE1-CG 4.13Å; F68-K73 HydrophobicContact CE2-CD 4.37Å; F68-K73 HydrophobicContact CE2-CG 4.4Å; F68-K73 HydrophobicContact CG-CB 4.01Å; F68-K73 HydrophobicContact CZ-CB 4.41Å; F68-K73 HydrophobicContact CZ-CG 4.11Å; K73-V75 HydrophobicContact CD-CG2 4.29Å; K73-V75 HydrophobicContact CG-CG2 4.04Å; K73-V75 PolarHBondContact O-N 3.24Å
74	Q	95.5	Very high	93.9	Very high	166 Å²	166	94.3 Å²	94.3	78%	0.776	49%	0.487	S	S	*	.	P	Polyproline II helix	trans	-76.4	116.9	178.1	-61.4	-58.3	-59.4	0	0	109.9	A72	A72-Q74 PolarHBondContact O-N 3.37Å; A72-Q74 PolarHBondContact O-NE2 3.14Å; A72-Q74 VanDerWaalsContact O-NE2 3.14Å
75	V	96.2	Very high	94.1	Very high	48 Å²	48	91.1 Å²	91.1	29%	0.291	49%	0.488	S	S	.	.			trans	-128.3	131.8	176.4	-179.2	0	0	0	0	108.4	A50 K73 P77	A50-V75 HydrophobicContact CB-CG2 3.87Å; K73-V75 HydrophobicContact CD-CG2 4.29Å; K73-V75 HydrophobicContact CG-CG2 4.04Å; K73-V75 PolarHBondContact O-N 3.24Å; V75-P77 WeakPolarHBondContact O-CD 3.37Å
76	N	96.5	Very high	94.5	Very high	91 Å²	91	92.4 Å²	92.4	49%	0.487	51%	0.511	S	S	.	.			trans	-75.8	120	174.8	-174.9	2.9	0	0	0	109.6	N78	N76-N78 PolarHBondContact O-N 3.16Å; N76-N78 WeakPolarHBondContact OD1-CB 3.43Å; N76-N78 PolarHBondContact OD1-N 3.21Å
77	P	95.5	Very high	94.7	Very high	110 Å²	110	90.5 Å²	90.5	71%	0.714	51%	0.505	S	S	*	.	S	Bend	trans	-69.5	-21.5	175.7	28.9	-35.5	0	0	0	112.9	V75 V79	V75-P77 WeakPolarHBondContact O-CD 3.37Å; P77-V79 PolarHBondContact O-N 3.41Å; P77-V79 VanDerWaalsContact O-N 3.16Å
78	N	96.6	Very high	94.9	Very high	106 Å²	106	87.3 Å²	87.3	57%	0.567	51%	0.505	S	S	*	.			trans	-86.3	87.4	-176.9	-60.5	-39.1	0	0	0	110.8	N76 A80 L83	N76-N78 PolarHBondContact O-N 3.16Å; N76-N78 WeakPolarHBondContact OD1-CB 3.43Å; N76-N78 PolarHBondContact OD1-N 3.21Å; N78-A80 PolarHBondContact O-N 3.11Å; N78-L83 HydrophobicContact CB-CD1 4.38Å
79	V	96.8	Very high	94.9	Very high	33 Å²	33	86.4 Å²	86.4	20%	0.2	51%	0.505	C	S	.	.			trans	-78.2	115.8	179.9	179.5	0	0	0	0	110.7	H53 P77 M81 H82 L83	H53-V79 HydrophobicContact CB-CB 4.48Å; H53-V79 HydrophobicContact CB-CG1 4.07Å; H53-V79 HydrophobicContact CB-CG2 3.99Å; P77-V79 PolarHBondContact O-N 3.41Å; P77-V79 VanDerWaalsContact O-N 3.16Å; V79-M81 HydrophobicContact CG1-CB 3.98Å; V79-M81 PolarHBondContact O-N 2.62Å; V79-M81 VanDerWaalsContact O-N 3.16Å; V79-H82 PolarHBondContact O-N 2.65Å; V79-L83 PolarHBondContact O-N 3.34Å
80	A	96.5	Very high	95.2	Very high	72 Å²	72	86.3 Å²	86.3	60%	0.595	51%	0.506	S	S	*	.	H	α-helix	trans	-54.8	-35.4	-178.5	0	0	0	0	0	113.7	N78 H82 L83 I84	N78-A80 PolarHBondContact O-N 3.11Å; A80-H82 VanDerWaalsContact C-N 3.33Å; A80-H82 PolarHBondContact O-N 3.06Å; A80-L83 PolarHBondContact O-N 3.44Å; A80-I84 WeakPolarHBondContact O-CG2 3.32Å; A80-I84 PolarHBondContact O-N 2.96Å
81	M	95.5	Very high	95.3	Very high	147 Å²	147	83.2 Å²	83.2	72%	0.724	50%	0.495	S	S	*	.	H	α-helix	trans	-59.1	-40.8	176.5	-174.4	-179.9	-179.6	0	0	112.7	V79 I84 A85	V79-M81 HydrophobicContact CG1-CB 3.98Å; V79-M81 PolarHBondContact O-N 2.62Å; V79-M81 VanDerWaalsContact O-N 3.16Å; M81-I84 WeakPolarHBondContact O-CG2 3.47Å; M81-A85 VanDerWaalsContact O-CB 3.32Å; M81-A85 WeakPolarHBondContact O-CB 3.42Å; M81-A85 PolarHBondContact O-N 3.38Å
82	H	96.3	Very high	95.3	Very high	134 Å²	134	79.5 Å²	79.5	62%	0.62	47%	0.473	S	S	*	.	H	α-helix	trans	-73.8	-39	177.2	-61.5	-39.5	0	0	0	111.3	V79 A80 A85 A86	V79-H82 PolarHBondContact O-N 2.65Å; A80-H82 VanDerWaalsContact C-N 3.33Å; A80-H82 PolarHBondContact O-N 3.06Å; H82-A85 PolarHBondContact O-N 3.25Å; H82-A86 PolarHBondContact O-N 2.99Å; H82-A86 VanDerWaalsContact O-N 3.1Å
83	L	97.4	Very high	95.4	Very high	104 Å²	104	84.3 Å²	84.3	55%	0.545	48%	0.481	S	S	.	.	H	α-helix	trans	-62.7	-45.6	179	-64.3	176.3	0	0	0	111.8	N78 V79 A80 A86	N78-L83 HydrophobicContact CB-CD1 4.38Å; V79-L83 PolarHBondContact O-N 3.34Å; A80-L83 PolarHBondContact O-N 3.44Å; L83-A86 PolarHBondContact O-N 3.2Å
84	I	95.4	Very high	95.3	Very high	52 Å²	52	85.9 Å²	85.9	27%	0.267	50%	0.496	S	S	.	.	H	α-helix	trans	-71.6	-32.4	179.5	-164.3	58.1	0	0	0	112.4	A80 M81 A86 V87 C126 G127 L128	A80-I84 WeakPolarHBondContact O-CG2 3.32Å; A80-I84 PolarHBondContact O-N 2.96Å; M81-I84 WeakPolarHBondContact O-CG2 3.47Å; I84-A86 VanDerWaalsContact C-N 3.26Å; I84-A86 PolarHBondContact O-N 3.16Å; I84-V87 HydrophobicContact CD1-CG2 4.47Å; I84-V87 PolarHBondContact O-N 3Å; I84-C126 WeakPolarHBondContact CD1-O 3.41Å; I84-G127 WeakPolarHBondContact CG1-O 3.34Å; I84-L128 HydrophobicContact CD1-CD2 4.22Å
85	A	94.6	Very high	95.1	Very high	62 Å²	62	85.9 Å²	85.9	51%	0.512	49%	0.488	S	S	.	.	H	α-helix	trans	-65	-32.4	175.2	0	0	0	0	0	112.3	M81 H82 V87 R129	M81-A85 VanDerWaalsContact O-CB 3.32Å; M81-A85 WeakPolarHBondContact O-CB 3.42Å; M81-A85 PolarHBondContact O-N 3.38Å; H82-A85 PolarHBondContact O-N 3.25Å; A85-V87 VanDerWaalsContact C-N 3.29Å; A85-V87 PolarHBondContact O-N 3.24Å; A85-R129 PolarHBondContact O-NH2 3.36Å
86	A	96.5	Very high	95	Very high	85 Å²	85	88 Å²	88	70%	0.702	50%	0.495	S	S	*	.	H	α-helix	trans	-70.7	-21.7	176.2	0	0	0	0	0	113.4	H82 L83 I84	H82-A86 PolarHBondContact O-N 2.99Å; H82-A86 VanDerWaalsContact O-N 3.1Å; L83-A86 PolarHBondContact O-N 3.2Å; I84-A86 VanDerWaalsContact C-N 3.26Å; I84-A86 PolarHBondContact O-N 3.16Å
87	V	95.7	Very high	94.9	Very high	55 Å²	55	83.8 Å²	83.8	33%	0.333	47%	0.473	S	S	.	.	S	Bend	trans	-76.8	123.4	176.5	-177.5	0	0	0	0	109.8	I84 A85 L128 R129	I84-V87 HydrophobicContact CD1-CG2 4.47Å; I84-V87 PolarHBondContact O-N 3Å; A85-V87 VanDerWaalsContact C-N 3.29Å; A85-V87 PolarHBondContact O-N 3.24Å; V87-L128 HydrophobicContact CG1-CD2 3.73Å; V87-R129 PolarHBondContact O-NH2 2.81Å
88	P	94.7	Very high	94.8	Very high	96 Å²	96	82 Å²	82	62%	0.623	46%	0.461	S	S	*	.	P	Polyproline II helix	trans	-68.7	148.2	-179.6	28.4	-34.8	0	0	0	111.6
89	P	93.5	Very high	94.7	Very high	44 Å²	44	77.2 Å²	77.2	29%	0.286	44%	0.435	S	S	.	.	P	Polyproline II helix	trans	-60.4	141.5	171.2	-22.9	34.3	0	0	0	112.3	V120 R129 Y131	P89-V120 HydrophobicContact CB-CG1 4.17Å; P89-V120 HydrophobicContact CG-CG1 4.26Å; P89-V120 HydrophobicContact CG-CG2 4.44Å; P89-R129 CarbonylContact C-O 3.5Å; P89-R129 WeakPolarHBondContact CA-O 3.48Å; P89-R129 HydrophobicContact CB-CB 4Å; P89-R129 HydrophobicContact CG-CB 4.19Å; P89-Y131 HydrophobicContact CB-CD1 3.73Å; P89-Y131 HydrophobicContact CB-CE1 4Å
90	I	94.5	Very high	94.7	Very high	66 Å²	66	78.8 Å²	78.8	34%	0.338	44%	0.442	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.9	124.8	-177.1	-60.1	168.4	0	0	0	109.3	R129 F130 Y131	I90-R129 PolarHBondContact N-O 2.71Å; I90-F130 HydrophobicContact CB-CD1 3.8Å; I90-F130 HydrophobicContact CB-CE1 4.02Å; I90-F130 HydrophobicContact CD1-CD1 4.3Å; I90-F130 HydrophobicContact CD1-CE1 3.68Å; I90-F130 HydrophobicContact CD1-CZ 4.12Å; I90-F130 HydrophobicContact CG1-CE1 4.42Å; I90-F130 HydrophobicContact CG2-CD1 4.09Å; I90-F130 HydrophobicContact CG2-CE1 4.18Å; I90-F130 WeakPolarHBondContact O-CA 3.15Å; I90-Y131 WeakPolarHBondContact O-CD1 3.42Å; I90-Y131 PolarHBondContact O-N 2.91Å; I90-Y131 VanDerWaalsContact O-N 3.1Å
91	P	94	Very high	94.5	Very high	76 Å²	76	76.9 Å²	76.9	49%	0.494	43%	0.43	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73	133	174.8	26.4	-30.6	0	0	0	111.4	Y131 V133	P91-Y131 HydrophobicContact CB-CE1 4.01Å; P91-Y131 HydrophobicContact CB-CE2 4.22Å; P91-V133 HydrophobicContact CB-CG1 3.45Å; P91-V133 VanDerWaalsContact CB-CG1 3.45Å
92	C	93.4	Very high	94.3	Very high	21 Å²	21	71.6 Å²	71.6	14%	0.142	41%	0.414	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	141.3	172.3	-66.5	0	0	0	0	110.3	L115 Y131 N132 V133	C92-L115 HydrophobicContact CB-CD1 3.53Å; C92-Y131 PolarHBondContact N-O 3.39Å; C92-N132 WeakPolarHBondContact O-CA 3.39Å; C92-N132 PolarHBondContact O-OD1 3.47Å; C92-V133 PolarHBondContact O-N 3.29Å
93	K	92.8	Very high	94	Very high	171 Å²	171	68 Å²	68	74%	0.743	41%	0.413	S	S	*	.	S	Bend	trans	-91.1	-23.9	175.2	-66.9	-178.5	179.7	-178	0	112.7	V133 N134	K93-V133 HydrophobicContact CB-CG2 4.42Å; K93-V133 HydrophobicContact CG-CG2 3.77Å; K93-N134 PolarHBondContact O-ND2 3.22Å
94	S	92.9	Very high	93.6	Very high	64 Å²	64	65.3 Å²	65.3	45%	0.448	41%	0.41	S	S	.	.	S	Bend	trans	-78.8	157.1	177.3	47.3	0	0	0	0	111	E96	S94-E96 WeakPolarHBondContact CB-O 3.43Å; S94-E96 PolarHBondContact O-N 3.41Å; S94-E96 PolarHBondContact OG-O 3.02Å
95	R	93	Very high	93.5	Very high	166 Å²	166	67.9 Å²	67.9	63%	0.626	44%	0.439	S	S	*	.	S	Bend	trans	-71.2	-12.2	171.6	-67.5	-179.2	61.2	-169.6	-5	113.4	L115 D116	R95-L115 WeakPolarHBondContact O-CA 3.36Å; R95-L115 WeakPolarHBondContact O-CB 3.46Å; R95-L115 PolarHBondContact O-N 3.4Å; R95-D116 IonicContact CZ-OD1 2.98Å; R95-D116 VanDerWaalsContact CZ-OD1 3.22Å; R95-D116 IonicContact CZ-OD2 2.71Å; R95-D116 IonicContact NE-OD1 2.9Å; R95-D116 PolarHBondContact NE-OD1 2.9Å; R95-D116 IonicContact NH2-OD1 2.92Å; R95-D116 PolarHBondContact NH2-OD1 3.1Å; R95-D116 IonicContact NH2-OD2 3.22Å; R95-D116 PolarHBondContact NH2-OD2 2.77Å
96	E	93.3	Very high	93.5	Very high	92 Å²	92	72.7 Å²	72.7	43%	0.43	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.1	132.6	-177.3	-176.2	-180	-176.1	0	0	108.8	S94 F112 I113	S94-E96 WeakPolarHBondContact CB-O 3.43Å; S94-E96 PolarHBondContact O-N 3.41Å; S94-E96 PolarHBondContact OG-O 3.02Å; E96-F112 HydrophobicContact CG-CB 4.19Å; E96-F112 HydrophobicContact CG-CD1 4.23Å; E96-F112 WeakPolarHBondContact OE1-CB 3.4Å; E96-F112 WeakPolarHBondContact OE1-CD1 3.22Å; E96-F112 WeakPolarHBondContact OE1-CG 3.31Å; E96-I113 WeakPolarHBondContact CA-O 3.36Å
97	A	93.6	Very high	93.5	Very high	4 Å²	4	70.2 Å²	70.2	3%	0.033	44%	0.438	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.4	144.5	170.9	0	0	0	0	0	110.2	F112 I113 L115 F130	A97-F112 CarbonylContact O-C 3.53Å; A97-F112 WeakPolarHBondContact O-CA 3.38Å; A97-I113 HydrophobicContact CB-CB 4.35Å; A97-I113 PolarHBondContact N-O 3.41Å; A97-I113 PolarHBondContact O-N 3.21Å; A97-L115 HydrophobicContact CB-CD1 3.84Å; A97-L115 HydrophobicContact CB-CG 4.29Å; A97-F130 HydrophobicContact CB-CB 4.18Å; A97-F130 HydrophobicContact CB-CD1 4.03Å; A97-F130 HydrophobicContact CB-CG 3.99Å
98	T	94.2	Very high	93.4	Very high	72 Å²	72	68.7 Å²	68.7	44%	0.442	43%	0.427	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	130.5	174.3	-66.9	0	0	0	0	109	K110 V111 F112	T98-K110 HydrophobicContact CG2-CD 4.06Å; T98-K110 HydrophobicContact CG2-CG 3.78Å; T98-V111 WeakPolarHBondContact CA-O 3.36Å; T98-F112 HydrophobicContact CG2-CE1 4.48Å; T98-F112 WeakPolarHBondContact OG1-CD1 3.38Å; T98-F112 WeakPolarHBondContact OG1-CE1 3.46Å
99	C	94.9	Very high	93.5	Very high	6 Å²	6	68.3 Å²	68.3	4%	0.041	43%	0.425	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.7	128.9	175.1	-168.5	0	0	0	0	110.2	H108 K110 V111 I113 C123 F130	C99-H108 PolarHBondContact O-CE1 3Å; C99-H108 VanDerWaalsContact O-CE1 3.22Å; C99-K110 WeakPolarHBondContact O-CA 3.18Å; C99-V111 HydrophobicContact CB-CG2 4.21Å; C99-V111 PolarHBondContact N-O 3.02Å; C99-V111 PolarHBondContact O-N 3.43Å; C99-I113 HydrophobicContact CB-CD1 4.17Å; C99-C123 HydrophobicContact CB-CB 4.33Å; C99-F130 HydrophobicContact CB-CE2 4.12Å; C99-F130 HydrophobicContact CB-CZ 4.08Å
100	D	95.6	Very high	93.6	Very high	65 Å²	65	72.4 Å²	72.4	35%	0.348	44%	0.438	S	S	.	.			trans	-116.5	0.5	174	63.8	-13.4	0	0	0	112.1	G102 G107 H108	D100-G102 PolarHBondContact O-N 2.91Å; D100-G102 PolarHBondContact OD1-N 3.42Å; D100-G107 CarbonylContact O-C 3.53Å; D100-G107 VanDerWaalsContact O-CA 3.28Å; D100-G107 WeakPolarHBondContact O-CA 3.31Å; D100-H108 PolarHBondContact O-N 2.77Å
101	G	92	Very high	93.6	Very high	32 Å²	32	71 Å²	71	33%	0.33	43%	0.432	S	S	.	.			trans	73.7	3.8	-174	0	0	0	0	0	114.8	H108 C126	G101-H108 PolarHBondContact N-NE2 3.29Å; G101-C126 WeakPolarHBondContact CA-SG 3.47Å
102	G	91.8	Very high	93.7	Very high	37 Å²	37	72.9 Å²	72.9	38%	0.381	43%	0.433	S	S	.	.	S	Bend	trans	83.8	153.5	-176.5	0	0	0	0	0	113.7	D100 G104 G107	D100-G102 PolarHBondContact O-N 2.91Å; D100-G102 PolarHBondContact OD1-N 3.42Å; G102-G104 VanDerWaalsContact C-N 3.3Å; G102-G104 PolarHBondContact O-N 2.97Å; G102-G107 PolarHBondContact O-N 3.34Å
103	G	89.8	Confident	93.7	Very high	59 Å²	59	72.4 Å²	72.4	61%	0.608	43%	0.429	S	S	*	.	S	Bend	trans	73.4	16.6	176	0	0	0	0	0	115	A105 L106	G103-A105 PolarHBondContact O-N 3.49Å; G103-L106 PolarHBondContact O-N 3.33Å; G103-L106 VanDerWaalsContact O-N 3.11Å
104	G	90	Very high	93.8	Very high	46 Å²	46	69.7 Å²	69.7	47%	0.474	42%	0.423	S	S	.	.	G	3₁₀ helix	trans	60.1	-102.6	177.8	0	0	0	0	0	111.9	G102 L106	G102-G104 VanDerWaalsContact C-N 3.3Å; G102-G104 PolarHBondContact O-N 2.97Å; G104-L106 VanDerWaalsContact C-N 3.27Å; G104-L106 PolarHBondContact O-N 2.78Å
105	A	92.7	Very high	93.8	Very high	107 Å²	107	66.7 Å²	66.7	88%	0.884	40%	0.401	S	S	*	.	G	3₁₀ helix	trans	-75	-11.2	179.4	0	0	0	0	0	114.5	G103	G103-A105 PolarHBondContact O-N 3.49Å
106	L	95.8	Very high	93.7	Very high	162 Å²	162	62.6 Å²	62.6	85%	0.848	39%	0.392	S	S	*	.	G	3₁₀ helix	trans	-83.1	-15	177.9	-64	177.4	0	0	0	113.5	G103 G104	G103-L106 PolarHBondContact O-N 3.33Å; G103-L106 VanDerWaalsContact O-N 3.11Å; G104-L106 VanDerWaalsContact C-N 3.27Å; G104-L106 PolarHBondContact O-N 2.78Å
107	G	94.7	Very high	93.4	Very high	34 Å²	34	64.4 Å²	64.4	35%	0.351	40%	0.398	S	S	.	.	S	Bend	trans	-94.1	-152.4	178.2	0	0	0	0	0	112.9	D100 G102	D100-G107 CarbonylContact O-C 3.53Å; D100-G107 VanDerWaalsContact O-CA 3.28Å; D100-G107 WeakPolarHBondContact O-CA 3.31Å; G102-G107 PolarHBondContact O-N 3.34Å
108	H	94.9	Very high	93.2	Very high	23 Å²	23	66.1 Å²	66.1	11%	0.106	41%	0.409	C	S	.	.	P	Polyproline II helix	trans	-92.9	166	175.7	62.3	77.6	0	0	0	110.8	C99 D100 G101 K110 C123 Y125 C126	C99-H108 PolarHBondContact O-CE1 3Å; C99-H108 VanDerWaalsContact O-CE1 3.22Å; D100-H108 PolarHBondContact O-N 2.77Å; G101-H108 PolarHBondContact N-NE2 3.29Å; H108-K110 PolarHBondContact O-N 3.4Å; H108-C123 PolarHBondContact CE1-SG 3.48Å; H108-C123 PolarHBondContact NE2-SG 3.32Å; H108-C123 VanDerWaalsContact NE2-SG 3.39Å; H108-Y125 HydrophobicContact CB-CD1 3.96Å; H108-Y125 HydrophobicContact CB-CD2 4.11Å; H108-Y125 HydrophobicContact CB-CG 3.68Å; H108-Y125 WeakPolarHBondContact CD2-CB 3.45Å; H108-Y125 AromaticContact CE1-CD2 3.85Å; H108-Y125 AromaticContact CG-CD2 3.7Å; H108-Y125 AromaticContact CG-CG 3.54Å; H108-Y125 AromaticContact ND1-CD2 3.37Å; H108-Y125 WeakPolarHBondContact ND1-CD2 3.36Å; H108-Y125 AromaticContact ND1-CG 3.74Å; H108-C126 PolarHBondContact CD2-SG 2.76Å; H108-C126 PolarHBondContact NE2-SG 2.78Å
109	P	95.9	Very high	92.9	Very high	87 Å²	87	63.3 Å²	63.3	57%	0.565	40%	0.395	S	S	*	.	P	Polyproline II helix	trans	-51.6	136.5	173.2	-27.1	36.1	0	0	0	111.3	V111	P109-V111 PolarHBondContact O-N 2.79Å; P109-V111 VanDerWaalsContact O-N 3.15Å
110	K	95.5	Very high	92.7	Very high	130 Å²	130	64.8 Å²	64.8	57%	0.565	40%	0.404	S	S	*	.	P	Polyproline II helix	trans	-56	120.4	179.4	-174.3	-174.7	-173	-176.6	0	109.8	T98 C99 H108 F112	T98-K110 HydrophobicContact CG2-CD 4.06Å; T98-K110 HydrophobicContact CG2-CG 3.78Å; C99-K110 WeakPolarHBondContact O-CA 3.18Å; H108-K110 PolarHBondContact O-N 3.4Å; K110-F112 HydrophobicContact CD-CZ 4.19Å
111	V	95.4	Very high	92.6	Very high	36 Å²	36	62.1 Å²	62.1	22%	0.218	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.6	156.4	174.1	-66.5	0	0	0	0	111.8	T98 C99 P109 Y125	T98-V111 WeakPolarHBondContact CA-O 3.36Å; C99-V111 HydrophobicContact CB-CG2 4.21Å; C99-V111 PolarHBondContact N-O 3.02Å; C99-V111 PolarHBondContact O-N 3.43Å; P109-V111 PolarHBondContact O-N 2.79Å; P109-V111 VanDerWaalsContact O-N 3.15Å; V111-Y125 HydrophobicContact CG1-CD2 4Å; V111-Y125 HydrophobicContact CG1-CE2 3.52Å; V111-Y125 HydrophobicContact CG2-CD2 4.4Å
112	F	95.2	Very high	92.7	Very high	116 Å²	116	61.1 Å²	61.1	51%	0.509	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.2	129.4	177	-62.9	-80.4	0	0	0	109.1	E96 A97 T98 K110	E96-F112 HydrophobicContact CG-CB 4.19Å; E96-F112 HydrophobicContact CG-CD1 4.23Å; E96-F112 WeakPolarHBondContact OE1-CB 3.4Å; E96-F112 WeakPolarHBondContact OE1-CD1 3.22Å; E96-F112 WeakPolarHBondContact OE1-CG 3.31Å; A97-F112 CarbonylContact O-C 3.53Å; A97-F112 WeakPolarHBondContact O-CA 3.38Å; T98-F112 HydrophobicContact CG2-CE1 4.48Å; T98-F112 WeakPolarHBondContact OG1-CD1 3.38Å; T98-F112 WeakPolarHBondContact OG1-CE1 3.46Å; K110-F112 HydrophobicContact CD-CZ 4.19Å
113	I	94.8	Very high	92.9	Very high	12 Å²	12	59.5 Å²	59.5	6%	0.062	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116	125	-173.4	-57.3	167.9	0	0	0	107.7	E96 A97 C99 L115 H121 C123 F130	E96-I113 WeakPolarHBondContact CA-O 3.36Å; A97-I113 HydrophobicContact CB-CB 4.35Å; A97-I113 PolarHBondContact N-O 3.41Å; A97-I113 PolarHBondContact O-N 3.21Å; C99-I113 HydrophobicContact CB-CD1 4.17Å; I113-L115 HydrophobicContact CG2-CD2 4.06Å; I113-H121 HydrophobicContact CG2-CB 3.64Å; I113-C123 HydrophobicContact CD1-CB 3.79Å; I113-F130 HydrophobicContact CD1-CD2 3.57Å; I113-F130 HydrophobicContact CD1-CE2 3.64Å
114	N	93.5	Very high	93.1	Very high	113 Å²	113	59.7 Å²	59.7	60%	0.604	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.2	123.3	-179.6	-68.8	-26.1	0	0	0	110.5	H121	N114-H121 PolarHBondContact O-CE1 3.42Å; N114-H121 VanDerWaalsContact O-CE1 3.28Å; N114-H121 PolarHBondContact O-ND1 2.91Å
115	L	93	Very high	93.4	Very high	1 Å²	1	64.3 Å²	64.3	1%	0.005	37%	0.367	C	S	.	.			trans	-111.9	31.4	-179.7	-51.1	179.2	0	0	0	112.4	C92 R95 A97 I113 H121 F130 N132	C92-L115 HydrophobicContact CB-CD1 3.53Å; R95-L115 WeakPolarHBondContact O-CA 3.36Å; R95-L115 WeakPolarHBondContact O-CB 3.46Å; R95-L115 PolarHBondContact O-N 3.4Å; A97-L115 HydrophobicContact CB-CD1 3.84Å; A97-L115 HydrophobicContact CB-CG 4.29Å; I113-L115 HydrophobicContact CG2-CD2 4.06Å; L115-H121 HydrophobicContact CD2-CB 3.72Å; L115-F130 HydrophobicContact CD1-CB 4.4Å; L115-F130 HydrophobicContact CD2-CB 3.91Å; L115-N132 HydrophobicContact CB-CB 3.93Å; L115-N132 WeakPolarHBondContact O-CB 3.37Å; L115-N132 PolarHBondContact O-ND2 3.03Å
116	D	90.8	Very high	93.5	Very high	80 Å²	80	61.7 Å²	61.7	43%	0.428	34%	0.341	S	S	.	.			trans	-76.9	-33.2	179.7	-79.1	-15.1	0	0	0	112.7	R95	R95-D116 IonicContact CZ-OD1 2.98Å; R95-D116 VanDerWaalsContact CZ-OD1 3.22Å; R95-D116 IonicContact CZ-OD2 2.71Å; R95-D116 IonicContact NE-OD1 2.9Å; R95-D116 PolarHBondContact NE-OD1 2.9Å; R95-D116 IonicContact NH2-OD1 2.92Å; R95-D116 PolarHBondContact NH2-OD1 3.1Å; R95-D116 IonicContact NH2-OD2 3.22Å; R95-D116 PolarHBondContact NH2-OD2 2.77Å
117	K	88.1	Confident	93.4	Very high	130 Å²	130	55.2 Å²	55.2	57%	0.565	31%	0.313	S	S	*	.	S	Bend	trans	-85.3	143.1	178.6	-65.1	175	179.6	175.7	0	109.9	H121	K117-H121 PolarHBondContact O-NE2 2.81Å
118	P	87.9	Confident	93.4	Very high	40 Å²	40	55.8 Å²	55.8	26%	0.26	31%	0.308	S	S	.	.	S	Bend	trans	-61.3	147.7	174	29.5	-36.4	0	0	0	110.3	V135 E136 D138 H142	P118-V135 HydrophobicContact CB-CG1 3.89Å; P118-E136 WeakPolarHBondContact CB-O 3.25Å; P118-D138 HydrophobicContact CB-CB 4.35Å; P118-D138 HydrophobicContact CG-CB 4.14Å; P118-H142 PolarHBondContact O-CE1 3.31Å; P118-H142 VanDerWaalsContact O-CE1 3.29Å
119	G	88.8	Confident	93.4	Very high	13 Å²	13	57.2 Å²	57.2	13%	0.134	31%	0.312	C	S	.	.	S	Bend	trans	110.5	-164.9	179.1	0	0	0	0	0	113.8	Y131	G119-Y131 WeakPolarHBondContact O-CB 3.12Å
120	V	91.7	Very high	93.3	Very high	38 Å²	38	53.7 Å²	53.7	23%	0.23	29%	0.288	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.2	127.6	-171.9	-178.1	0	0	0	0	109.8	P89 R129 I143 Q144	P89-V120 HydrophobicContact CB-CG1 4.17Å; P89-V120 HydrophobicContact CG-CG1 4.26Å; P89-V120 HydrophobicContact CG-CG2 4.44Å; V120-R129 HydrophobicContact CG1-CB 3.4Å; V120-R129 VanDerWaalsContact CG1-CB 3.4Å; V120-R129 HydrophobicContact CG1-CG 3.68Å; V120-I143 WeakPolarHBondContact O-CA 3.45Å; V120-Q144 PolarHBondContact O-N 3.4Å
121	H	92.8	Very high	93.2	Very high	9 Å²	9	51.7 Å²	51.7	4%	0.042	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	125	-177.7	-60.1	-98.3	0	0	0	109.9	I113 N114 L115 K117 R129 F130 Q144	I113-H121 HydrophobicContact CG2-CB 3.64Å; N114-H121 PolarHBondContact O-CE1 3.42Å; N114-H121 VanDerWaalsContact O-CE1 3.28Å; N114-H121 PolarHBondContact O-ND1 2.91Å; L115-H121 HydrophobicContact CD2-CB 3.72Å; K117-H121 PolarHBondContact O-NE2 2.81Å; H121-R129 CarbonylContact O-C 3.49Å; H121-R129 WeakPolarHBondContact O-CA 3.48Å; H121-F130 PolarHBondContact N-O 2.78Å; H121-F130 PolarHBondContact O-N 3.22Å; H121-Q144 CarbonylContact C-O 3.6Å; H121-Q144 VanDerWaalsContact CA-O 3.31Å; H121-Q144 WeakPolarHBondContact CA-O 3.28Å; H121-Q144 PolarHBondContact CE1-OE1 2.95Å; H121-Q144 PolarHBondContact ND1-OE1 3.39Å
122	A	94.5	Very high	93.1	Very high	11 Å²	11	50.4 Å²	50.4	9%	0.091	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	140.1	-178.6	0	0	0	0	0	111.4	G124 L128 R129 I143 Q144	A122-G124 PolarHBondContact O-N 3.26Å; A122-L128 CarbonylContact C-O 3.52Å; A122-L128 VanDerWaalsContact CA-O 3.31Å; A122-L128 WeakPolarHBondContact CA-O 2.91Å; A122-R129 HydrophobicContact CB-CG 4.28Å; A122-I143 HydrophobicContact CB-CG2 3.65Å; A122-Q144 PolarHBondContact N-O 3.11Å
123	C	95.3	Very high	93	Very high	3 Å²	3	48.1 Å²	48.1	2%	0.02	27%	0.265	C	S	.	.			trans	-67.7	123.9	164.7	179	0	0	0	0	109.2	C99 H108 I113 Y125 G127 L128 F130	C99-C123 HydrophobicContact CB-CB 4.33Å; H108-C123 PolarHBondContact CE1-SG 3.48Å; H108-C123 PolarHBondContact NE2-SG 3.32Å; H108-C123 VanDerWaalsContact NE2-SG 3.39Å; I113-C123 HydrophobicContact CD1-CB 3.79Å; C123-Y125 PolarHBondContact O-N 3.1Å; C123-G127 WeakPolarHBondContact O-CA 3.47Å; C123-G127 PolarHBondContact O-N 2.89Å; C123-L128 PolarHBondContact N-O 2.82Å; C123-F130 HydrophobicContact CB-CE2 4.25Å
124	G	93.7	Very high	92.8	Very high	63 Å²	63	53.2 Å²	53.2	65%	0.649	29%	0.292	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62	-11.7	179	0	0	0	0	0	115.5	A122	A122-G124 PolarHBondContact O-N 3.26Å
125	Y	95.7	Very high	92.4	Very high	143 Å²	143	50.1 Å²	50.1	56%	0.561	28%	0.278	S	S	*	.	T	Hydrogen-bonded Turn	trans	-100	-68.5	177.6	-66.2	-74.9	0	0	0	112.2	H108 V111 C123 G127	H108-Y125 HydrophobicContact CB-CD1 3.96Å; H108-Y125 HydrophobicContact CB-CD2 4.11Å; H108-Y125 HydrophobicContact CB-CG 3.68Å; H108-Y125 WeakPolarHBondContact CD2-CB 3.45Å; H108-Y125 AromaticContact CE1-CD2 3.85Å; H108-Y125 AromaticContact CG-CD2 3.7Å; H108-Y125 AromaticContact CG-CG 3.54Å; H108-Y125 AromaticContact ND1-CD2 3.37Å; H108-Y125 WeakPolarHBondContact ND1-CD2 3.36Å; H108-Y125 AromaticContact ND1-CG 3.74Å; V111-Y125 HydrophobicContact CG1-CD2 4Å; V111-Y125 HydrophobicContact CG1-CE2 3.52Å; V111-Y125 HydrophobicContact CG2-CD2 4.4Å; C123-Y125 PolarHBondContact O-N 3.1Å; Y125-G127 VanDerWaalsContact C-N 3.33Å; Y125-G127 PolarHBondContact O-N 3.28Å
126	C	94.6	Very high	91.8	Very high	52 Å²	52	58.7 Å²	58.7	35%	0.351	32%	0.318	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.8	-17.3	-177.6	-72.9	0	0	0	0	114.2	I84 G101 H108 L128	I84-C126 WeakPolarHBondContact CD1-O 3.41Å; G101-C126 WeakPolarHBondContact CA-SG 3.47Å; H108-C126 PolarHBondContact CD2-SG 2.76Å; H108-C126 PolarHBondContact NE2-SG 2.78Å; C126-L128 HydrophobicContact CB-CB 4.44Å; C126-L128 HydrophobicContact CB-CD1 4.28Å; C126-L128 HydrophobicContact CB-CG 3.99Å; C126-L128 PolarHBondContact O-N 3.18Å
127	G	94.4	Very high	90.9	Very high	25 Å²	25	59.4 Å²	59.4	26%	0.258	33%	0.329	S	S	.	.			trans	70.8	3.3	-170.8	0	0	0	0	0	114.3	I84 C123 Y125	I84-G127 WeakPolarHBondContact CG1-O 3.34Å; C123-G127 WeakPolarHBondContact O-CA 3.47Å; C123-G127 PolarHBondContact O-N 2.89Å; Y125-G127 VanDerWaalsContact C-N 3.33Å; Y125-G127 PolarHBondContact O-N 3.28Å
128	L	95.1	Very high	90.3	Very high	46 Å²	46	57.6 Å²	57.6	24%	0.241	33%	0.325	C	S	.	.			trans	-60.1	143	173.8	-71.7	177.7	0	0	0	109.9	I84 V87 A122 C123 C126 F130	I84-L128 HydrophobicContact CD1-CD2 4.22Å; V87-L128 HydrophobicContact CG1-CD2 3.73Å; A122-L128 CarbonylContact C-O 3.52Å; A122-L128 VanDerWaalsContact CA-O 3.31Å; A122-L128 WeakPolarHBondContact CA-O 2.91Å; C123-L128 PolarHBondContact N-O 2.82Å; C126-L128 HydrophobicContact CB-CB 4.44Å; C126-L128 HydrophobicContact CB-CD1 4.28Å; C126-L128 HydrophobicContact CB-CG 3.99Å; C126-L128 PolarHBondContact O-N 3.18Å; L128-F130 HydrophobicContact CB-CE2 4.06Å; L128-F130 HydrophobicContact CB-CZ 4.24Å
129	R	94.2	Very high	89.5	Confident	53 Å²	53	58.9 Å²	58.9	20%	0.2	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.4	135.4	-170.2	-79.2	-179.6	-63.3	169.5	-2.1	110	A85 V87 P89 I90 V120 H121 A122	A85-R129 PolarHBondContact O-NH2 3.36Å; V87-R129 PolarHBondContact O-NH2 2.81Å; P89-R129 CarbonylContact C-O 3.5Å; P89-R129 WeakPolarHBondContact CA-O 3.48Å; P89-R129 HydrophobicContact CB-CB 4Å; P89-R129 HydrophobicContact CG-CB 4.19Å; I90-R129 PolarHBondContact N-O 2.71Å; V120-R129 HydrophobicContact CG1-CB 3.4Å; V120-R129 VanDerWaalsContact CG1-CB 3.4Å; V120-R129 HydrophobicContact CG1-CG 3.68Å; H121-R129 CarbonylContact O-C 3.49Å; H121-R129 WeakPolarHBondContact O-CA 3.48Å; A122-R129 HydrophobicContact CB-CG 4.28Å
130	F	94.5	Very high	88.5	Confident	13 Å²	13	60.6 Å²	60.6	6%	0.057	36%	0.356	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	146.5	-179.3	-58.6	-86.8	0	0	0	109.9	I90 A97 C99 I113 L115 H121 C123 L128	I90-F130 HydrophobicContact CB-CD1 3.8Å; I90-F130 HydrophobicContact CB-CE1 4.02Å; I90-F130 HydrophobicContact CD1-CD1 4.3Å; I90-F130 HydrophobicContact CD1-CE1 3.68Å; I90-F130 HydrophobicContact CD1-CZ 4.12Å; I90-F130 HydrophobicContact CG1-CE1 4.42Å; I90-F130 HydrophobicContact CG2-CD1 4.09Å; I90-F130 HydrophobicContact CG2-CE1 4.18Å; I90-F130 WeakPolarHBondContact O-CA 3.15Å; A97-F130 HydrophobicContact CB-CB 4.18Å; A97-F130 HydrophobicContact CB-CD1 4.03Å; A97-F130 HydrophobicContact CB-CG 3.99Å; C99-F130 HydrophobicContact CB-CE2 4.12Å; C99-F130 HydrophobicContact CB-CZ 4.08Å; I113-F130 HydrophobicContact CD1-CD2 3.57Å; I113-F130 HydrophobicContact CD1-CE2 3.64Å; L115-F130 HydrophobicContact CD1-CB 4.4Å; L115-F130 HydrophobicContact CD2-CB 3.91Å; H121-F130 PolarHBondContact N-O 2.78Å; H121-F130 PolarHBondContact O-N 3.22Å; C123-F130 HydrophobicContact CB-CE2 4.25Å; L128-F130 HydrophobicContact CB-CE2 4.06Å; L128-F130 HydrophobicContact CB-CZ 4.24Å
131	Y	93	Very high	87.3	Confident	88 Å²	88	68 Å²	68	35%	0.345	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	150.5	173	68.9	-81.2	0	0	0	110.6	P89 I90 P91 C92 G119 V133	P89-Y131 HydrophobicContact CB-CD1 3.73Å; P89-Y131 HydrophobicContact CB-CE1 4Å; I90-Y131 WeakPolarHBondContact O-CD1 3.42Å; I90-Y131 PolarHBondContact O-N 2.91Å; I90-Y131 VanDerWaalsContact O-N 3.1Å; P91-Y131 HydrophobicContact CB-CE1 4.01Å; P91-Y131 HydrophobicContact CB-CE2 4.22Å; C92-Y131 PolarHBondContact N-O 3.39Å; G119-Y131 WeakPolarHBondContact O-CB 3.12Å; Y131-V133 HydrophobicContact CE2-CG1 4.03Å
132	N	93.6	Very high	86.3	Confident	10 Å²	10	70.8 Å²	70.8	5%	0.053	40%	0.401	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	121.1	177.5	-167.2	-22.7	0	0	0	110	C92 L115 N134 V135	C92-N132 WeakPolarHBondContact O-CA 3.39Å; C92-N132 PolarHBondContact O-OD1 3.47Å; L115-N132 HydrophobicContact CB-CB 3.93Å; L115-N132 WeakPolarHBondContact O-CB 3.37Å; L115-N132 PolarHBondContact O-ND2 3.03Å; N132-N134 PolarHBondContact O-N 3.49Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 3.22Å; N132-V135 HydrophobicContact CB-CB 4.16Å; N132-V135 HydrophobicContact CB-CG2 3.91Å; N132-V135 PolarHBondContact O-N 3.04Å
133	V	92.5	Very high	85.4	Confident	68 Å²	68	74.8 Å²	74.8	41%	0.412	42%	0.419	S	S	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-19.7	179.8	-59.4	0	0	0	0	113.3	P91 C92 K93 Y131	P91-V133 HydrophobicContact CB-CG1 3.45Å; P91-V133 VanDerWaalsContact CB-CG1 3.45Å; C92-V133 PolarHBondContact O-N 3.29Å; K93-V133 HydrophobicContact CB-CG2 4.42Å; K93-V133 HydrophobicContact CG-CG2 3.77Å; Y131-V133 HydrophobicContact CE2-CG1 4.03Å
134	N	90.6	Very high	84.3	Confident	118 Å²	118	76.6 Å²	76.6	63%	0.631	43%	0.428	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.1	-8.6	-178.2	-58.4	-44.3	0	0	0	112.9	K93 N132	K93-N134 PolarHBondContact O-ND2 3.22Å; N132-N134 PolarHBondContact O-N 3.49Å; N132-N134 WeakPolarHBondContact OD1-CB 3.49Å; N132-N134 PolarHBondContact OD1-N 3.22Å
135	V	86.2	Confident	83.1	Confident	49 Å²	49	81 Å²	81	30%	0.297	44%	0.442	S	S	.	.	S	Bend	trans	-107.2	116.9	-179.6	-178.2	0	0	0	0	107.7	P118 N132 S137	P118-V135 HydrophobicContact CB-CG1 3.89Å; N132-V135 HydrophobicContact CB-CB 4.16Å; N132-V135 HydrophobicContact CB-CG2 3.91Å; N132-V135 PolarHBondContact O-N 3.04Å; V135-S137 PolarHBondContact O-N 2.95Å
136	E	79.7	Confident	82.5	Confident	181 Å²	181	77.9 Å²	77.9	85%	0.846	44%	0.436	S	S	*	.			trans	-62.5	132.4	178.9	-65.5	-175.2	167.5	0	0	110.5	P118 D138	P118-E136 WeakPolarHBondContact CB-O 3.25Å; E136-D138 PolarHBondContact O-N 3.01Å
137	S	73.2	Confident	81.9	Confident	94 Å²	94	79.3 Å²	79.3	66%	0.657	44%	0.44	S	S	*	.			trans	-67.2	128.7	174.6	60.4	0	0	0	0	109.5	V135 G139	V135-S137 PolarHBondContact O-N 2.95Å; S137-G139 PolarHBondContact O-N 2.83Å
138	D	73.9	Confident	81.2	Confident	92 Å²	92	82.3 Å²	82.3	49%	0.492	45%	0.45	S	S	.	.			trans	-70.4	10.6	173	60.6	-2.3	0	0	0	113.7	P118 E136 S140 H142	P118-D138 HydrophobicContact CB-CB 4.35Å; P118-D138 HydrophobicContact CG-CB 4.14Å; E136-D138 PolarHBondContact O-N 3.01Å; D138-S140 PolarHBondContact O-N 3.49Å; D138-S140 WeakPolarHBondContact OD1-CB 3.36Å; D138-S140 PolarHBondContact OD1-N 2.9Å; D138-S140 PolarHBondContact OD1-OG 3.15Å; D138-S140 PolarHBondContact OD2-OG 3.34Å; D138-H142 IonicContact OD2-CE1 3.88Å
139	G	71.5	Confident	80.4	Confident	67 Å²	67	84.4 Å²	84.4	69%	0.691	46%	0.463	S	S	*	.	S	Bend	trans	72.4	-0.4	-176	0	0	0	0	0	114.1	S137	S137-G139 PolarHBondContact O-N 2.83Å
140	S	68.4	Low	79.5	Confident	49 Å²	49	86.4 Å²	86.4	34%	0.343	48%	0.479	S	S	.	.			trans	-87.7	123.1	-179.8	72.9	0	0	0	0	110.2	D138 H142	D138-S140 PolarHBondContact O-N 3.49Å; D138-S140 WeakPolarHBondContact OD1-CB 3.36Å; D138-S140 PolarHBondContact OD1-N 2.9Å; D138-S140 PolarHBondContact OD1-OG 3.15Å; D138-S140 PolarHBondContact OD2-OG 3.34Å; S140-H142 PolarHBondContact O-N 3.32Å; S140-H142 PolarHBondContact O-ND1 2.92Å; S140-H142 PolarHBondContact OG-CE1 3.36Å; S140-H142 PolarHBondContact OG-ND1 2.66Å
141	Q	66.9	Low	78.5	Confident	194 Å²	194	91.3 Å²	91.3	91%	0.907	51%	0.507	S	S	*	.			trans	-77.9	25.8	178.3	-63.6	-175.2	-13.5	0	0	112.6	I143	Q141-I143 PolarHBondContact O-N 2.98Å
142	H	70.6	Confident	77.5	Confident	67 Å²	67	91.5 Å²	91.5	31%	0.31	52%	0.519	S	S	.	.	P	Polyproline II helix	trans	-72.6	124.3	-179.9	75.5	-62.1	0	0	0	109.3	P118 D138 S140 Q144	P118-H142 PolarHBondContact O-CE1 3.31Å; P118-H142 VanDerWaalsContact O-CE1 3.29Å; D138-H142 IonicContact OD2-CE1 3.88Å; S140-H142 PolarHBondContact O-N 3.32Å; S140-H142 PolarHBondContact O-ND1 2.92Å; S140-H142 PolarHBondContact OG-CE1 3.36Å; S140-H142 PolarHBondContact OG-ND1 2.66Å; H142-Q144 VanDerWaalsContact CD2-CG 3.43Å; H142-Q144 WeakPolarHBondContact CD2-CG 3.42Å; H142-Q144 PolarHBondContact CD2-NE2 3.01Å; H142-Q144 VanDerWaalsContact CD2-NE2 3.34Å; H142-Q144 PolarHBondContact NE2-NE2 2.95Å
143	I	75.7	Confident	76.2	Confident	95 Å²	95	97.8 Å²	97.8	49%	0.487	56%	0.555	S	S	.	*	E	Extended strand (participates in β ladder)	trans	-88.2	118	171.9	-59.8	171.1	0	0	0	106.4	V120 A122 Q141	V120-I143 WeakPolarHBondContact O-CA 3.45Å; A122-I143 HydrophobicContact CB-CG2 3.65Å; Q141-I143 PolarHBondContact O-N 2.98Å
144	Q	72.4	Confident	74.9	Confident	41 Å²	41	100.3 Å²	100.3	19%	0.192	57%	0.566	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-89.5	145.7	171.6	-63.2	-169.5	-10.1	0	0	109.3	V120 H121 A122 H142	V120-Q144 PolarHBondContact O-N 3.4Å; H121-Q144 CarbonylContact C-O 3.6Å; H121-Q144 VanDerWaalsContact CA-O 3.31Å; H121-Q144 WeakPolarHBondContact CA-O 3.28Å; H121-Q144 PolarHBondContact CE1-OE1 2.95Å; H121-Q144 PolarHBondContact ND1-OE1 3.39Å; A122-Q144 PolarHBondContact N-O 3.11Å; H142-Q144 VanDerWaalsContact CD2-CG 3.43Å; H142-Q144 WeakPolarHBondContact CD2-CG 3.42Å; H142-Q144 PolarHBondContact CD2-NE2 3.01Å; H142-Q144 VanDerWaalsContact CD2-NE2 3.34Å; H142-Q144 PolarHBondContact NE2-NE2 2.95Å
145	V	69.6	Low	73.4	Confident	156 Å²	156	98.6 Å²	98.6	95%	0.945	56%	0.561	S	S	*	*			trans	-117.3	0	176.8	-175.3	0	0	0	0	108.3

Retrieved 145 of 145 residues in 54.4 ms (Link to these results)

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