A0A077ZDS0_TRITR Loading...

Putative universal minicircle sequence binding pr otein (UMSBP)

AlphaFold DB , UniProt , Accession A0A077ZDS0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 196 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	63	Low	79.3	Confident	228 Å²	228	111.5 Å²	111.5	100%	1.123	58%	0.576	S	S	*	*				0	120.1	0	-71.1	155.8	167.4	0	0	106.2	E3	M1-E3 PolarHBondContact O-N 2.86Å
2	S	80.2	Confident	80	Confident	81 Å²	81	105.4 Å²	105.4	57%	0.566	54%	0.543	S	S	*	.			trans	-74.6	118.4	-171	-48.2	0	0	0	0	110.6
3	E	77.3	Confident	80.1	Confident	101 Å²	101	107.2 Å²	107.2	47%	0.472	54%	0.544	S	S	.	.	B	Isolated β-bridge	trans	-79.4	146.7	172	60.4	-174.9	94.4	0	0	111.1	M1 Y5 H8 T10	M1-E3 PolarHBondContact O-N 2.86Å; E3-Y5 PolarHBondContact O-N 3.46Å; E3-H8 IonicContact OE2-ND1 3.27Å; E3-H8 PolarHBondContact OE2-ND1 3.35Å; E3-T10 HydrophobicContact CB-CG2 4.22Å
4	C	79.9	Confident	80	Confident	0 Å²	0	101.1 Å²	101.1	0%	0	52%	0.518	C	S	.	.			trans	-71.9	115.1	176.4	176.8	0	0	0	0	110.6	R6 C7 H8 E9 H12 C17	C4-R6 PolarHBondContact O-N 2.78Å; C4-C7 PolarHBondContact O-N 3.1Å; C4-H8 WeakPolarHBondContact O-CA 3.08Å; C4-H8 PolarHBondContact O-N 3.48Å; C4-E9 WeakPolarHBondContact CB-O 3.09Å; C4-E9 PolarHBondContact N-O 2.77Å; C4-H12 WeakPolarHBondContact CB-NE2 3.39Å; C4-H12 PolarHBondContact SG-NE2 2.78Å; C4-C17 VanDerWaalsContact SG-SG 3.62Å
5	Y	81.5	Confident	80	Confident	198 Å²	198	108.8 Å²	108.8	78%	0.776	54%	0.538	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-7.6	177.3	-66.7	-81.9	0	0	0	115.7	E3 A14	E3-Y5 PolarHBondContact O-N 3.46Å; Y5-A14 HydrophobicContact CD2-CB 4.34Å
6	R	77.9	Confident	79.6	Confident	169 Å²	169	109.8 Å²	109.8	64%	0.638	54%	0.541	S	S	*	.	T	Hydrogen-bonded Turn	trans	-103.9	-36.8	179.4	-72.3	-179.7	-168.6	157.9	4.4	113.9	C4 A14	C4-R6 PolarHBondContact O-N 2.78Å; R6-A14 PolarHBondContact NH1-O 3.12Å
7	C	84.4	Confident	79.6	Confident	34 Å²	34	103.9 Å²	103.9	23%	0.23	51%	0.513	C	S	.	.	T	Hydrogen-bonded Turn	trans	-121.1	-0.8	179.9	68.6	0	0	0	0	114.2	C4 E9 H12	C4-C7 PolarHBondContact O-N 3.1Å; C7-E9 HydrophobicContact CB-CG 4.49Å; C7-E9 PolarHBondContact O-N 2.94Å; C7-E9 PolarHBondContact SG-OE2 3.22Å; C7-E9 VanDerWaalsContact SG-OE2 3.4Å; C7-H12 VanDerWaalsContact SG-CE1 3.52Å; C7-H12 PolarHBondContact SG-NE2 2.73Å
8	H	82.9	Confident	79.5	Confident	132 Å²	132	104.1 Å²	104.1	61%	0.611	52%	0.523	S	S	*	.			trans	57	12.4	-175.4	-65.3	-88	0	0	0	115.4	E3 C4	E3-H8 IonicContact OE2-ND1 3.27Å; E3-H8 PolarHBondContact OE2-ND1 3.35Å; C4-H8 WeakPolarHBondContact O-CA 3.08Å; C4-H8 PolarHBondContact O-N 3.48Å
9	E	80.1	Confident	79.1	Confident	104 Å²	104	103.9 Å²	103.9	49%	0.486	52%	0.524	S	S	.	.			trans	-84.6	141.4	173	-60.7	179.8	102.2	0	0	110.7	C4 C7	C4-E9 WeakPolarHBondContact CB-O 3.09Å; C4-E9 PolarHBondContact N-O 2.77Å; C7-E9 HydrophobicContact CB-CG 4.49Å; C7-E9 PolarHBondContact O-N 2.94Å; C7-E9 PolarHBondContact SG-OE2 3.22Å; C7-E9 VanDerWaalsContact SG-OE2 3.4Å
10	T	82.1	Confident	78.4	Confident	101 Å²	101	101.1 Å²	101.1	62%	0.62	52%	0.522	S	S	*	.	B	Isolated β-bridge	trans	-88.7	144.7	176.5	59.1	0	0	0	0	110.6	E3	E3-T10 HydrophobicContact CB-CG2 4.22Å
11	G	82.7	Confident	77.8	Confident	79 Å²	79	104.7 Å²	104.7	81%	0.814	54%	0.536	S	S	*	.	S	Bend	trans	119.5	-3.7	174.6	0	0	0	0	0	115
12	H	87.5	Confident	77.5	Confident	38 Å²	38	103 Å²	103	18%	0.176	53%	0.525	C	S	.	.	S	Bend	trans	-148.3	153.5	172.4	60.5	-92.1	0	0	0	110.6	C4 C7 C17	C4-H12 WeakPolarHBondContact CB-NE2 3.39Å; C4-H12 PolarHBondContact SG-NE2 2.78Å; C7-H12 VanDerWaalsContact SG-CE1 3.52Å; C7-H12 PolarHBondContact SG-NE2 2.73Å; H12-C17 VanDerWaalsContact CD2-CA 3.47Å; H12-C17 WeakPolarHBondContact CD2-CA 3.26Å
13	F	81.8	Confident	76	Confident	129 Å²	129	102.5 Å²	102.5	57%	0.566	53%	0.534	S	S	*	.			trans	-81.8	152.8	175.9	-64	-75.4	0	0	0	110.5	R15 E16 C17	F13-R15 PolarHBondContact O-N 3.1Å; F13-E16 CarbonylContact O-C 3.45Å; F13-E16 PolarHBondContact O-N 3.12Å; F13-C17 PolarHBondContact O-N 2.89Å
14	A	78.7	Confident	74.7	Confident	21 Å²	21	101.4 Å²	101.4	17%	0.174	55%	0.55	C	S	.	.	T	Hydrogen-bonded Turn	trans	-54.8	-16.2	-178.9	0	0	0	0	0	114.7	Y5 R6	Y5-A14 HydrophobicContact CD2-CB 4.34Å; R6-A14 PolarHBondContact NH1-O 3.12Å
15	R	80.1	Confident	73.5	Confident	217 Å²	217	105 Å²	105	82%	0.819	59%	0.586	S	S	*	*	T	Hydrogen-bonded Turn	trans	-79.3	-37.3	175.8	-59	178.1	169.3	-137.7	-3.4	112.5	F13	F13-R15 PolarHBondContact O-N 3.1Å
16	E	73.7	Confident	72.2	Confident	125 Å²	125	107.4 Å²	107.4	58%	0.584	59%	0.594	S	S	*	*	S	Bend	trans	-98.4	21.7	177.7	-76.7	75.9	62.9	0	0	112.2	F13 P18	F13-E16 CarbonylContact O-C 3.45Å; F13-E16 PolarHBondContact O-N 3.12Å; E16-P18 WeakPolarHBondContact O-CD 3.21Å
17	C	79.6	Confident	70.9	Confident	10 Å²	10	102.4 Å²	102.4	7%	0.068	60%	0.595	C	S	.	*			trans	-64.2	110.9	-179.8	-174.1	0	0	0	0	110.6	C4 H12 F13 N19 G20	C4-C17 VanDerWaalsContact SG-SG 3.62Å; H12-C17 VanDerWaalsContact CD2-CA 3.47Å; H12-C17 WeakPolarHBondContact CD2-CA 3.26Å; F13-C17 PolarHBondContact O-N 2.89Å; C17-N19 PolarHBondContact O-N 3.24Å; C17-N19 VanDerWaalsContact O-N 3.15Å; C17-G20 PolarHBondContact O-N 3.32Å
18	P	78.4	Confident	69.8	Low	107 Å²	107	105.7 Å²	105.7	70%	0.695	62%	0.618	S	S	*	*	T	Hydrogen-bonded Turn	trans	-70.2	-12.2	-177.7	30.8	-35	0	0	0	112.2	E16 G20	E16-P18 WeakPolarHBondContact O-CD 3.21Å; P18-G20 VanDerWaalsContact C-N 3.3Å
19	N	71	Confident	68.7	Low	101 Å²	101	110 Å²	110	54%	0.54	63%	0.631	S	S	.	*	T	Hydrogen-bonded Turn	trans	-87.5	6.1	177.3	-121.4	-23.6	0	0	0	113.2	C17	C17-N19 PolarHBondContact O-N 3.24Å; C17-N19 VanDerWaalsContact O-N 3.15Å
20	G	65.1	Low	67.7	Low	46 Å²	46	111 Å²	111	47%	0.474	64%	0.644	S	S	.	*			trans	-86.8	2.9	-166.2	0	0	0	0	0	118.6	C17 P18	C17-G20 PolarHBondContact O-N 3.32Å; P18-G20 VanDerWaalsContact C-N 3.3Å
21	E	66.1	Low	66.3	Low	177 Å²	177	118.3 Å²	118.3	83%	0.827	66%	0.66	S	S	*	*			trans	-123.4	11.8	-165.7	-76.4	-179.7	75.6	0	0	117.1	G23	E21-G23 PolarHBondContact O-N 3.48Å
22	Q	57	Low	64.7	Low	192 Å²	192	117.5 Å²	117.5	90%	0.897	65%	0.652	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.3	61.3	167.7	-71.8	165.7	55.8	0	0	111.2
23	G	48.1	Very low	63	Low	72 Å²	72	128 Å²	128	74%	0.742	69%	0.69	S	S	*	*	T	Hydrogen-bonded Turn	trans	-156.3	24.3	171.9	0	0	0	0	0	112.8	E21 G25	E21-G23 PolarHBondContact O-N 3.48Å; G23-G25 PolarHBondContact O-N 3.23Å
24	G	50.6	Low	61.3	Low	78 Å²	78	125.2 Å²	125.2	80%	0.804	70%	0.699	S	S	*	*			trans	-74.4	81.5	178.6	0	0	0	0	0	113.3
25	G	53.4	Low	59.9	Low	75 Å²	75	127.6 Å²	127.6	77%	0.773	73%	0.725	S	S	*	*			trans	-98.7	98.2	162.9	0	0	0	0	0	110.7	G23 G27	G23-G25 PolarHBondContact O-N 3.23Å; G25-G27 PolarHBondContact O-N 3.42Å
26	R	54.5	Low	58.4	Low	249 Å²	249	128.8 Å²	128.8	94%	0.94	73%	0.729	S	S	*	*			trans	-51.7	113.8	-174.2	-60.7	174.8	179.8	-173.7	-1.3	113.8
27	G	51.5	Low	57.1	Low	63 Å²	63	126.3 Å²	126.3	65%	0.649	74%	0.737	S	S	*	*			trans	-106.8	80.5	161.9	0	0	0	0	0	110.7	G25 Y29	G25-G27 PolarHBondContact O-N 3.42Å; G27-Y29 WeakPolarHBondContact O-CD1 3.15Å; G27-Y29 PolarHBondContact O-N 2.92Å
28	S	60.1	Low	55.8	Low	104 Å²	104	133.7 Å²	133.7	73%	0.727	77%	0.774	S	S	*	*			trans	-77.7	100.3	171.4	-176.1	0	0	0	0	109.3	T30	S28-T30 PolarHBondContact O-N 3.04Å
29	Y	60.4	Low	54.1	Low	223 Å²	223	132.6 Å²	132.6	88%	0.875	78%	0.783	S	S	*	*			trans	-85.1	54	175.8	51.5	-89.7	0	0	0	111.8	G27 R31	G27-Y29 WeakPolarHBondContact O-CD1 3.15Å; G27-Y29 PolarHBondContact O-N 2.92Å; Y29-R31 PolarHBondContact O-N 2.99Å
30	T	58.8	Low	53.2	Low	124 Å²	124	131.4 Å²	131.4	76%	0.761	79%	0.794	S	S	*	*			trans	-84.2	100.9	153.8	-48.9	0	0	0	0	106.7	S28 G32	S28-T30 PolarHBondContact O-N 3.04Å; T30-G32 PolarHBondContact O-N 3.08Å
31	R	52.6	Low	52.5	Low	254 Å²	254	133 Å²	133	96%	0.958	81%	0.81	S	S	*	*			trans	-68.6	76.3	176.1	-177	-177.8	-99.9	177.3	-5.4	109.7	Y29	Y29-R31 PolarHBondContact O-N 2.99Å
32	G	50.3	Low	52	Low	63 Å²	63	136.3 Å²	136.3	65%	0.649	82%	0.815	S	S	*	*			trans	-83.8	117.2	162.6	0	0	0	0	0	109.7	T30 G34	T30-G32 PolarHBondContact O-N 3.08Å; G32-G34 PolarHBondContact O-N 3.2Å
33	R	51	Low	51.4	Low	257 Å²	257	130.6 Å²	130.6	97%	0.97	81%	0.808	S	S	*	*			trans	-60.2	97.6	171.3	179.5	-174.5	-174.7	-131.3	5.1	109.7
34	G	45.7	Very low	51.5	Low	72 Å²	72	129.9 Å²	129.9	74%	0.742	80%	0.8	S	S	*	*			trans	-173.4	83.9	179.7	0	0	0	0	0	115.3	G32	G32-G34 PolarHBondContact O-N 3.2Å
35	G	50	Low	51.6	Low	70 Å²	70	136.2 Å²	136.2	72%	0.722	80%	0.801	S	S	*	*			trans	40	123.9	144.1	0	0	0	0	0	123.3
36	R	48.5	Very low	51.3	Low	243 Å²	243	139.5 Å²	139.5	92%	0.917	81%	0.806	S	S	*	*				65.7	100.4	121.3	-65.1	177.7	180	-157.6	-0.8	120
37	G	45.8	Very low	51.4	Low	73 Å²	73	139 Å²	139	75%	0.753	80%	0.804	S	S	*	*			trans	-148.5	105.2	133.8	0	0	0	0	0	106.3
38	I	52.9	Low	51.4	Low	165 Å²	165	142.2 Å²	142.2	85%	0.846	81%	0.806	S	S	*	*				50.4	102.7	72.5	-47.5	179.3	0	0	0	111.9
39	G	43.8	Very low	51	Low	84 Å²	84	140.5 Å²	140.5	87%	0.866	81%	0.805	S	S	*	*			trans	111.7	96.6	150.5	0	0	0	0	0	116.5
40	G	51.1	Low	50.7	Low	76 Å²	76	140.2 Å²	140.2	78%	0.784	80%	0.803	S	S	*	*			trans	165.8	66.9	168.8	0	0	0	0	0	110.3
41	G	50.1	Low	50	Low	78 Å²	78	143.6 Å²	143.6	80%	0.804	81%	0.807	S	S	*	*				79.4	62	67.1	0	0	0	0	0	110.3
42	R	55	Low	50.2	Low	248 Å²	248	136.9 Å²	136.9	94%	0.936	80%	0.799	S	S	*	*			trans	-138.6	74.2	157.6	-61.2	-174.3	-173.2	177.5	2	105.3	G44	R42-G44 VanDerWaalsContact C-N 3.28Å
43	G	44.2	Very low	50.5	Low	72 Å²	72	141 Å²	141	74%	0.742	81%	0.811	S	S	*	*				64.4	40.9	57.8	0	0	0	0	0	109.8	Y45	G43-Y45 VanDerWaalsContact C-N 3.29Å; G43-Y45 PolarHBondContact O-N 3.23Å
44	G	52.2	Low	50.8	Low	57 Å²	57	131.3 Å²	131.3	59%	0.588	79%	0.792	S	S	*	*			trans	-63.7	94.8	161.3	0	0	0	0	0	108.5	R42 V46	R42-G44 VanDerWaalsContact C-N 3.28Å; G44-V46 PolarHBondContact O-N 2.73Å; G44-V46 VanDerWaalsContact O-N 3.08Å
45	Y	51.6	Low	51.9	Low	211 Å²	211	130.4 Å²	130.4	83%	0.827	78%	0.782	S	S	*	*			trans	-26	101.5	161	49.7	-74.6	0	0	0	113.3	G43	G43-Y45 VanDerWaalsContact C-N 3.29Å; G43-Y45 PolarHBondContact O-N 3.23Å
46	V	47.8	Very low	53.1	Low	144 Å²	144	130.6 Å²	130.6	87%	0.873	77%	0.769	S	S	*	*			trans	-99.5	84.2	155.4	-79.4	0	0	0	0	106.8	G44	G44-V46 PolarHBondContact O-N 2.73Å; G44-V46 VanDerWaalsContact O-N 3.08Å
47	R	55.9	Low	54.4	Low	239 Å²	239	119.2 Å²	119.2	90%	0.902	73%	0.727	S	S	*	*			trans	-130.6	-0.4	-178.1	-85	-167.6	171.1	-164.5	-2.5	116.6
48	D	52	Low	55.9	Low	129 Å²	129	126.2 Å²	126.2	69%	0.69	73%	0.733	S	S	*	*	S	Bend	trans	-138.7	111	167.8	-153.4	-97.9	0	0	0	111.1	R50	D48-R50 PolarHBondContact O-N 3.35Å; D48-R50 IonicContact OD1-NE 3.74Å
49	G	52.2	Low	56.7	Low	69 Å²	69	121 Å²	121	71%	0.711	71%	0.707	S	S	*	*			trans	-70.8	80.6	-174.5	0	0	0	0	0	113.6
50	R	52.6	Low	58.4	Low	217 Å²	217	119.7 Å²	119.7	82%	0.819	68%	0.683	S	S	*	*			trans	-113.1	84.9	163.4	-54.9	-73.3	-174	136.3	5.5	108.4	D48 S52	D48-R50 PolarHBondContact O-N 3.35Å; D48-R50 IonicContact OD1-NE 3.74Å; R50-S52 PolarHBondContact O-N 3.27Å; R50-S52 VanDerWaalsContact O-N 3.1Å
51	F	43.8	Very low	59.6	Low	194 Å²	194	118.3 Å²	118.3	85%	0.851	67%	0.669	S	S	*	*			trans	-50.6	110.2	173.1	-79.9	-103.4	0	0	0	110.6	V53	F51-V53 PolarHBondContact O-N 2.74Å
52	S	56.9	Low	60.9	Low	114 Å²	114	123.4 Å²	123.4	80%	0.797	66%	0.664	S	S	*	*			trans	-67.1	90.4	156.5	-68.4	0	0	0	0	107.8	R50 G54 G55	R50-S52 PolarHBondContact O-N 3.27Å; R50-S52 VanDerWaalsContact O-N 3.1Å; S52-G54 PolarHBondContact O-N 3.24Å; S52-G55 PolarHBondContact O-N 3.2Å
53	V	57.6	Low	62	Low	148 Å²	148	115.5 Å²	115.5	90%	0.897	65%	0.647	S	S	*	*	T	Hydrogen-bonded Turn	trans	-57.5	68.1	172.2	62.2	0	0	0	0	111	F51	F51-V53 PolarHBondContact O-N 2.74Å
54	G	56.8	Low	63.7	Low	55 Å²	55	116.1 Å²	116.1	57%	0.567	65%	0.653	S	S	*	*	T	Hydrogen-bonded Turn	trans	165.7	17.6	-176.8	0	0	0	0	0	115.5	S52 T56	S52-G54 PolarHBondContact O-N 3.24Å; G54-T56 VanDerWaalsContact C-N 3.35Å; G54-T56 PolarHBondContact O-N 2.76Å
55	G	69.6	Low	65.4	Low	52 Å²	52	115.4 Å²	115.4	54%	0.536	63%	0.634	S	S	.	*			trans	-56.7	95.9	177.3	0	0	0	0	0	111.2	S52	S52-G55 PolarHBondContact O-N 3.2Å
56	T	74.9	Confident	66.8	Low	74 Å²	74	112.6 Å²	112.6	45%	0.454	63%	0.626	S	S	.	*			trans	-50.1	137.2	162.5	43.4	0	0	0	0	108.9	G54 Y58 G61	G54-T56 VanDerWaalsContact C-N 3.35Å; G54-T56 PolarHBondContact O-N 2.76Å; T56-Y58 PolarHBondContact O-N 2.9Å; T56-Y58 VanDerWaalsContact O-N 3.12Å; T56-G61 WeakPolarHBondContact CB-O 3.03Å; T56-G61 WeakPolarHBondContact CG2-O 3.44Å
57	C	75.9	Confident	67.9	Low	4 Å²	4	107.6 Å²	107.6	3%	0.027	60%	0.6	C	S	.	*			trans	-48.7	122.1	175.7	172.1	0	0	0	0	109.7	N59 C60 G61 R62 H65	C57-N59 PolarHBondContact O-N 2.75Å; C57-N59 PolarHBondContact SG-N 3.27Å; C57-N59 VanDerWaalsContact SG-N 3.42Å; C57-C60 VanDerWaalsContact CB-SG 3.55Å; C57-C60 PolarHBondContact O-N 3.06Å; C57-C60 VanDerWaalsContact SG-SG 3.61Å; C57-G61 VanDerWaalsContact O-CA 3.26Å; C57-G61 WeakPolarHBondContact O-CA 3.15Å; C57-G61 PolarHBondContact O-N 3.2Å; C57-R62 WeakPolarHBondContact CB-O 3.18Å; C57-R62 PolarHBondContact N-O 2.93Å; C57-H65 WeakPolarHBondContact CB-NE2 2.93Å; C57-H65 VanDerWaalsContact SG-CD2 3.59Å; C57-H65 PolarHBondContact SG-NE2 2.91Å
58	Y	76.5	Confident	68.9	Low	221 Å²	221	106.4 Å²	106.4	87%	0.867	60%	0.596	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-16	-179.6	-72.1	-84.1	0	0	0	113.8	T56	T56-Y58 PolarHBondContact O-N 2.9Å; T56-Y58 VanDerWaalsContact O-N 3.12Å
59	N	69	Low	69.6	Low	56 Å²	56	106.2 Å²	106.2	30%	0.299	59%	0.591	S	S	.	*	T	Hydrogen-bonded Turn	trans	-94.2	-33.5	-178.7	-164.8	26.6	0	0	0	113	C57 A67 C70	C57-N59 PolarHBondContact O-N 2.75Å; C57-N59 PolarHBondContact SG-N 3.27Å; C57-N59 VanDerWaalsContact SG-N 3.42Å; N59-A67 HydrophobicContact CB-CB 4.46Å; N59-C70 HydrophobicContact CB-CB 4.26Å
60	C	80.9	Confident	70.8	Confident	56 Å²	56	103.1 Å²	103.1	38%	0.378	56%	0.558	S	S	.	*	T	Hydrogen-bonded Turn	trans	-127.7	-3.1	-176.4	72.5	0	0	0	0	115	C57 R62 H65	C57-C60 VanDerWaalsContact CB-SG 3.55Å; C57-C60 PolarHBondContact O-N 3.06Å; C57-C60 VanDerWaalsContact SG-SG 3.61Å; C60-R62 PolarHBondContact O-N 3.26Å; C60-R62 VanDerWaalsContact SG-CB 3.6Å; C60-R62 PolarHBondContact SG-N 2.75Å; C60-H65 PolarHBondContact SG-CE1 3.3Å; C60-H65 PolarHBondContact SG-NE2 2.95Å
61	G	77	Confident	71.8	Confident	47 Å²	47	98.4 Å²	98.4	49%	0.485	56%	0.555	S	S	.	*	S	Bend	trans	72.2	2.1	-177.7	0	0	0	0	0	115	T56 C57	T56-G61 WeakPolarHBondContact CB-O 3.03Å; T56-G61 WeakPolarHBondContact CG2-O 3.44Å; C57-G61 VanDerWaalsContact O-CA 3.26Å; C57-G61 WeakPolarHBondContact O-CA 3.15Å; C57-G61 PolarHBondContact O-N 3.2Å
62	R	76.7	Confident	73	Confident	185 Å²	185	96.1 Å²	96.1	70%	0.698	55%	0.547	S	S	*	.			trans	-91.4	134	-179.7	-158.1	-178.9	-162.5	-145.2	2.6	111.6	C57 C60	C57-R62 WeakPolarHBondContact CB-O 3.18Å; C57-R62 PolarHBondContact N-O 2.93Å; C60-R62 PolarHBondContact O-N 3.26Å; C60-R62 VanDerWaalsContact SG-CB 3.6Å; C60-R62 PolarHBondContact SG-N 2.75Å
63	S	78.7	Confident	73	Confident	82 Å²	82	96.4 Å²	96.4	57%	0.573	54%	0.536	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.4	152.3	171.9	47.2	0	0	0	0	111.4
64	G	79.6	Confident	72.9	Confident	84 Å²	84	96.9 Å²	96.9	87%	0.866	53%	0.534	S	S	*	.	T	Hydrogen-bonded Turn	trans	108.8	-2.1	175.7	0	0	0	0	0	116.3
65	H	86.8	Confident	72.8	Confident	42 Å²	42	100 Å²	100	19%	0.194	53%	0.533	C	S	.	.	S	Bend	trans	-150.4	155.7	171	62.4	-87.3	0	0	0	111.4	C57 C60 C70	C57-H65 WeakPolarHBondContact CB-NE2 2.93Å; C57-H65 VanDerWaalsContact SG-CD2 3.59Å; C57-H65 PolarHBondContact SG-NE2 2.91Å; C60-H65 PolarHBondContact SG-CE1 3.3Å; C60-H65 PolarHBondContact SG-NE2 2.95Å; H65-C70 VanDerWaalsContact CD2-CA 3.44Å; H65-C70 WeakPolarHBondContact CD2-CA 3.38Å; H65-C70 PolarHBondContact NE2-SG 3.39Å
66	F	80.6	Confident	71.7	Confident	152 Å²	152	100.8 Å²	100.8	67%	0.667	54%	0.542	S	S	*	.			trans	-83.2	153.1	176.3	-61.5	-71.3	0	0	0	111.1	R68 E69 C70	F66-R68 PolarHBondContact O-N 3.34Å; F66-E69 CarbonylContact O-C 3.43Å; F66-E69 PolarHBondContact O-N 3.4Å; F66-C70 PolarHBondContact O-N 3.39Å; F66-C70 VanDerWaalsContact O-N 3.1Å
67	A	72.3	Confident	70.5	Confident	39 Å²	39	99.2 Å²	99.2	32%	0.322	54%	0.54	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.7	-21.2	179	0	0	0	0	0	113.9	N59	N59-A67 HydrophobicContact CB-CB 4.46Å
68	R	75.7	Confident	69.5	Low	215 Å²	215	109.7 Å²	109.7	81%	0.811	58%	0.581	S	S	*	*	T	Hydrogen-bonded Turn	trans	-77.1	-37.7	176.6	-47.5	-173.4	-174.8	-152.9	1.1	112.3	F66 Q73	F66-R68 PolarHBondContact O-N 3.34Å; R68-Q73 PolarHBondContact O-NE2 3.27Å
69	E	67.6	Low	67.8	Low	125 Å²	125	102.4 Å²	102.4	58%	0.584	57%	0.573	S	S	*	*	S	Bend	trans	-96.1	17	175.5	-74.5	96.2	66	0	0	113	F66 P71	F66-E69 CarbonylContact O-C 3.43Å; F66-E69 PolarHBondContact O-N 3.4Å; E69-P71 WeakPolarHBondContact O-CD 3.15Å; E69-P71 VanDerWaalsContact O-N 3.12Å
70	C	76.9	Confident	66.9	Low	4 Å²	4	103.6 Å²	103.6	3%	0.027	60%	0.598	C	S	.	*			trans	-64.4	112.9	177.6	-172.1	0	0	0	0	109.8	N59 H65 F66 Q72 Q73	N59-C70 HydrophobicContact CB-CB 4.26Å; H65-C70 VanDerWaalsContact CD2-CA 3.44Å; H65-C70 WeakPolarHBondContact CD2-CA 3.38Å; H65-C70 PolarHBondContact NE2-SG 3.39Å; F66-C70 PolarHBondContact O-N 3.39Å; F66-C70 VanDerWaalsContact O-N 3.1Å; C70-Q72 PolarHBondContact O-N 2.79Å; C70-Q72 VanDerWaalsContact O-N 3.12Å; C70-Q73 WeakPolarHBondContact O-CG 3.38Å; C70-Q73 PolarHBondContact O-N 3.3Å
71	P	74.4	Confident	65.5	Low	117 Å²	117	113 Å²	113	76%	0.76	63%	0.625	S	S	*	*	T	Hydrogen-bonded Turn	trans	-69.1	-12.1	-179.5	29.8	-35.3	0	0	0	112.3	E69 Q73	E69-P71 WeakPolarHBondContact O-CD 3.15Å; E69-P71 VanDerWaalsContact O-N 3.12Å; P71-Q73 PolarHBondContact O-N 3.42Å
72	Q	67.7	Low	63.9	Low	146 Å²	146	114.4 Å²	114.4	68%	0.682	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81	21.2	176.5	-156.9	78.5	18.8	0	0	112.5	C70 D74	C70-Q72 PolarHBondContact O-N 2.79Å; C70-Q72 VanDerWaalsContact O-N 3.12Å; Q72-D74 PolarHBondContact O-N 2.75Å
73	Q	57.1	Low	62.6	Low	121 Å²	121	109.8 Å²	109.8	57%	0.565	65%	0.65	S	S	*	*			trans	-67.7	72.3	179	-65.8	-120.1	34.7	0	0	111.8	R68 C70 P71	R68-Q73 PolarHBondContact O-NE2 3.27Å; C70-Q73 WeakPolarHBondContact O-CG 3.38Å; C70-Q73 PolarHBondContact O-N 3.3Å; P71-Q73 PolarHBondContact O-N 3.42Å
74	D	57	Low	61.4	Low	157 Å²	157	109.3 Å²	109.3	84%	0.84	66%	0.658	S	S	*	*			trans	-105.1	30.7	145.9	-169.6	-124.5	0	0	0	109.3	Q72 G76	Q72-D74 PolarHBondContact O-N 2.75Å; D74-G76 VanDerWaalsContact C-N 3.27Å; D74-G76 PolarHBondContact O-N 3.42Å
75	H	54.6	Low	60.1	Low	121 Å²	121	116.1 Å²	116.1	56%	0.56	66%	0.658	S	S	*	*			trans	-92.7	72.7	172	-155.2	-94.6	0	0	0	109	G77	H75-G77 PolarHBondContact O-N 3.17Å
76	G	46.4	Very low	58.4	Low	69 Å²	69	117.2 Å²	117.2	71%	0.711	68%	0.68	S	S	*	*			trans	-39.8	106.2	159.6	0	0	0	0	0	108.8	D74 Y78	D74-G76 VanDerWaalsContact C-N 3.27Å; D74-G76 PolarHBondContact O-N 3.42Å; G76-Y78 PolarHBondContact O-N 3.19Å
77	G	49.9	Very low	57.1	Low	41 Å²	41	119.5 Å²	119.5	42%	0.423	69%	0.69	S	S	.	*			trans	-60.8	120.8	-168.6	0	0	0	0	0	111.4	H75 G79	H75-G77 PolarHBondContact O-N 3.17Å; G77-G79 PolarHBondContact O-N 3.26Å
78	Y	53.5	Low	56.5	Low	224 Å²	224	123.4 Å²	123.4	88%	0.878	72%	0.715	S	S	*	*			trans	40.2	42.1	137.8	60	-89.3	0	0	0	116.4	G76	G76-Y78 PolarHBondContact O-N 3.19Å
79	G	42.7	Very low	55.3	Low	68 Å²	68	116.4 Å²	116.4	70%	0.701	71%	0.709	S	S	*	*			trans	-88.6	94.2	152.8	0	0	0	0	0	107.4	G77 R81	G77-G79 PolarHBondContact O-N 3.26Å; G79-R81 PolarHBondContact O-N 3.02Å
80	G	49.4	Very low	54.8	Low	80 Å²	80	115.3 Å²	115.3	83%	0.825	72%	0.716	S	S	*	*			trans	-52.1	129.4	167.5	0	0	0	0	0	110.2
81	R	50.2	Low	53.8	Low	253 Å²	253	127.3 Å²	127.3	96%	0.955	76%	0.761	S	S	*	*	S	Bend	trans	99.1	73.6	166.4	-154.5	173.6	-167.8	-118.5	1.9	116.9	G79	G79-R81 PolarHBondContact O-N 3.02Å
82	G	44.1	Very low	52.6	Low	77 Å²	77	125.5 Å²	125.5	79%	0.794	76%	0.763	S	S	*	*			trans	163	114.6	150	0	0	0	0	0	116.6
83	G	48.7	Very low	51.9	Low	89 Å²	89	121.7 Å²	121.7	92%	0.918	76%	0.763	S	S	*	*			trans	77.6	135.6	159.9	0	0	0	0	0	114.6
84	G	53.6	Low	51.9	Low	71 Å²	71	127.1 Å²	127.1	73%	0.732	78%	0.779	S	S	*	*			cis	172.8	135.4	9.1	0	0	0	0	0	103.9	G86	G84-G86 PolarHBondContact O-N 2.95Å
85	R	54	Low	52	Low	228 Å²	228	122.7 Å²	122.7	86%	0.86	77%	0.77	S	S	*	*			trans	-72.2	76.5	173.1	-59.2	173.5	-155.9	-152.3	2.5	105.8	F87	R85-F87 HydrophobicContact CB-CZ 4.33Å; R85-F87 WeakPolarHBondContact O-CD2 3.47Å; R85-F87 WeakPolarHBondContact O-CE2 3.1Å; R85-F87 PolarHBondContact O-N 2.84Å
86	G	50.7	Low	52.7	Low	65 Å²	65	119.6 Å²	119.6	67%	0.67	76%	0.762	S	S	*	*			trans	-75.1	102	172.4	0	0	0	0	0	106.7	G84 S88	G84-G86 PolarHBondContact O-N 2.95Å; G86-S88 PolarHBondContact O-N 2.92Å
87	F	53.4	Low	53.8	Low	200 Å²	200	116.4 Å²	116.4	88%	0.877	73%	0.728	S	S	*	*			trans	-59.8	79.8	166.6	-46.8	-87.7	0	0	0	107.8	R85 G89	R85-F87 HydrophobicContact CB-CZ 4.33Å; R85-F87 WeakPolarHBondContact O-CD2 3.47Å; R85-F87 WeakPolarHBondContact O-CE2 3.1Å; R85-F87 PolarHBondContact O-N 2.84Å; F87-G89 PolarHBondContact O-N 3.17Å
88	S	59.7	Low	54.8	Low	121 Å²	121	123.9 Å²	123.9	85%	0.846	75%	0.75	S	S	*	*			trans	-80.3	93.2	173.7	-175.5	0	0	0	0	107.4	G86	G86-S88 PolarHBondContact O-N 2.92Å
89	G	49.7	Very low	55.2	Low	67 Å²	67	116.1 Å²	116.1	69%	0.691	73%	0.726	S	S	*	*			trans	-145.2	50.8	-179.5	0	0	0	0	0	111.7	F87	F87-G89 PolarHBondContact O-N 3.17Å
90	S	57.8	Low	56.9	Low	103 Å²	103	115.5 Å²	115.5	72%	0.72	71%	0.71	S	S	*	*			trans	44.6	97.9	144.6	-51.2	0	0	0	0	118.6
91	R	55.9	Low	58	Low	256 Å²	256	114 Å²	114	97%	0.966	70%	0.695	S	S	*	*			trans	-176.5	119.4	134.6	-103	172.3	-105.4	-162.2	-2.3	110.3
92	G	49.2	Very low	59	Low	79 Å²	79	108 Å²	108	81%	0.814	68%	0.677	S	S	*	*			trans	104.9	69.2	164.6	0	0	0	0	0	115.6
93	G	51.7	Low	60.4	Low	66 Å²	66	109 Å²	109	68%	0.68	67%	0.67	S	S	*	*			trans	-60.9	146.7	143.9	0	0	0	0	0	109.5
94	R	57.4	Low	61.8	Low	235 Å²	235	108.5 Å²	108.5	89%	0.887	67%	0.665	S	S	*	*			trans	151.3	67.4	143.7	-67.2	-97.7	-162.8	-71	-5.7	110.4	S96	R94-S96 PolarHBondContact O-N 3.15Å
95	G	60.5	Low	63.3	Low	64 Å²	64	107.9 Å²	107.9	66%	0.66	64%	0.643	S	S	*	*			trans	62.4	13.9	131.3	0	0	0	0	0	122	P103 G104	G95-P103 WeakPolarHBondContact O-CA 3.38Å; G95-G104 PolarHBondContact O-N 2.06Å
96	S	67.5	Low	64.3	Low	56 Å²	56	103.6 Å²	103.6	39%	0.392	63%	0.634	S	S	.	*	B	Isolated β-bridge	trans	-97.2	132.2	170.1	54	0	0	0	0	112	R94 F98 G101 E102	R94-S96 PolarHBondContact O-N 3.15Å; S96-F98 PolarHBondContact O-N 3.29Å; S96-G101 WeakPolarHBondContact CB-O 3.47Å; S96-E102 WeakPolarHBondContact CA-O 3.12Å
97	C	69.7	Low	65.2	Low	1 Å²	1	101.9 Å²	101.9	1%	0.007	61%	0.614	C	S	.	*			trans	-40.6	115.9	169.6	165.2	0	0	0	0	111.3	T99 C100 G101 E102 H105 C110	C97-T99 PolarHBondContact O-N 2.84Å; C97-T99 VanDerWaalsContact O-N 3.17Å; C97-T99 PolarHBondContact SG-OG1 3.33Å; C97-C100 HydrophobicContact CB-CB 4.38Å; C97-C100 WeakPolarHBondContact CB-SG 3.36Å; C97-C100 PolarHBondContact O-N 3.1Å; C97-C100 WeakPolarHBondContact SG-CB 3.25Å; C97-C100 PolarHBondContact SG-N 3.34Å; C97-C100 CovalentContact SG-SG 2.06Å; C97-C100 PolarHBondContact SG-SG 3.3Å; C97-G101 VanDerWaalsContact O-CA 3.25Å; C97-G101 WeakPolarHBondContact O-CA 2.94Å; C97-G101 PolarHBondContact O-N 3.25Å; C97-E102 WeakPolarHBondContact CB-O 3.18Å; C97-E102 PolarHBondContact N-O 3.43Å; C97-H105 PolarHBondContact SG-NE2 3.09Å; C97-C110 PolarHBondContact SG-SG 3.2Å
98	F	70.7	Confident	65.7	Low	198 Å²	198	101.3 Å²	101.3	87%	0.868	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-66.9	-16.6	-178.3	-69.3	-82	0	0	0	113.9	S96 A107	S96-F98 PolarHBondContact O-N 3.29Å; F98-A107 HydrophobicContact CB-CB 4.22Å
99	T	63.6	Low	66.1	Low	62 Å²	62	100.7 Å²	100.7	38%	0.38	60%	0.598	S	S	.	*	T	Hydrogen-bonded Turn	trans	-95.4	-26.7	-176.7	46.3	0	0	0	0	112.6	C97 A107 C110 Y117	C97-T99 PolarHBondContact O-N 2.84Å; C97-T99 VanDerWaalsContact O-N 3.17Å; C97-T99 PolarHBondContact SG-OG1 3.33Å; T99-A107 HydrophobicContact CG2-CB 3.89Å; T99-C110 WeakPolarHBondContact OG1-CB 3.29Å; T99-C110 PolarHBondContact OG1-SG 3.2Å; T99-Y117 HydrophobicContact CG2-CE1 4.2Å; T99-Y117 WeakPolarHBondContact CG2-OH 3.47Å
100	C	77.2	Confident	67	Low	54 Å²	54	97.7 Å²	97.7	37%	0.365	57%	0.566	S	S	.	*	T	Hydrogen-bonded Turn	trans	-129.7	-12.8	-172.4	65.6	0	0	0	0	114.3	C97 E102 H105	C97-C100 HydrophobicContact CB-CB 4.38Å; C97-C100 WeakPolarHBondContact CB-SG 3.36Å; C97-C100 PolarHBondContact O-N 3.1Å; C97-C100 WeakPolarHBondContact SG-CB 3.25Å; C97-C100 PolarHBondContact SG-N 3.34Å; C97-C100 CovalentContact SG-SG 2.06Å; C97-C100 PolarHBondContact SG-SG 3.3Å; C100-E102 PolarHBondContact O-N 3.21Å; C100-H105 PolarHBondContact SG-CE1 3.1Å; C100-H105 PolarHBondContact SG-NE2 2.83Å
101	G	72.1	Confident	67.3	Low	49 Å²	49	98 Å²	98	51%	0.505	57%	0.569	S	S	.	*			trans	78.2	-6.2	-178.3	0	0	0	0	0	115	S96 C97	S96-G101 WeakPolarHBondContact CB-O 3.47Å; C97-G101 VanDerWaalsContact O-CA 3.25Å; C97-G101 WeakPolarHBondContact O-CA 2.94Å; C97-G101 PolarHBondContact O-N 3.25Å
102	E	72.2	Confident	67.5	Low	126 Å²	126	89.1 Å²	89.1	59%	0.589	55%	0.55	S	S	*	.			trans	-78.4	133.4	-178.5	-76.6	-135.3	92.1	0	0	113.3	S96 C97 C100	S96-E102 WeakPolarHBondContact CA-O 3.12Å; C97-E102 WeakPolarHBondContact CB-O 3.18Å; C97-E102 PolarHBondContact N-O 3.43Å; C100-E102 PolarHBondContact O-N 3.21Å
103	P	74.1	Confident	68	Low	100 Å²	100	86.4 Å²	86.4	65%	0.649	52%	0.518	S	S	*	.	B	Isolated β-bridge	trans	-73.4	144.4	171.2	31.7	-33.1	0	0	0	111.6	G95	G95-P103 WeakPolarHBondContact O-CA 3.38Å
104	G	77.5	Confident	68.5	Low	78 Å²	78	85.8 Å²	85.8	80%	0.804	51%	0.507	S	S	*	.	T	Hydrogen-bonded Turn	trans	117.3	-11.1	171.7	0	0	0	0	0	115.9	G95	G95-G104 PolarHBondContact O-N 2.06Å
105	H	84.8	Confident	68.9	Low	58 Å²	58	77.3 Å²	77.3	27%	0.269	48%	0.481	S	S	.	.	S	Bend	trans	-144.4	155.7	172	66.1	-86.9	0	0	0	111.5	C97 C100 D109 C110	C97-H105 PolarHBondContact SG-NE2 3.09Å; C100-H105 PolarHBondContact SG-CE1 3.1Å; C100-H105 PolarHBondContact SG-NE2 2.83Å; H105-D109 HydrophobicContact CB-CB 4.38Å; H105-C110 WeakPolarHBondContact CD2-CA 3.4Å; H105-C110 WeakPolarHBondContact NE2-CA 3.41Å; H105-C110 WeakPolarHBondContact NE2-CB 3.13Å; H105-C110 PolarHBondContact NE2-SG 3.24Å
106	M	75.7	Confident	69.3	Low	137 Å²	137	74.3 Å²	74.3	68%	0.675	45%	0.451	S	S	*	.			trans	-85.4	158.4	175.9	-65.9	115.6	171.2	0	0	110.7	K108 D109 C110	M106-K108 PolarHBondContact O-N 2.91Å; M106-D109 CarbonylContact O-C 3.41Å; M106-D109 WeakPolarHBondContact O-CA 3.49Å; M106-D109 PolarHBondContact O-N 3.2Å; M106-C110 PolarHBondContact O-N 3.14Å; M106-C110 VanDerWaalsContact O-N 3.09Å
107	A	68.3	Low	69.3	Low	30 Å²	30	78.7 Å²	78.7	25%	0.248	46%	0.459	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.2	-18	176.7	0	0	0	0	0	114.3	F98 T99	F98-A107 HydrophobicContact CB-CB 4.22Å; T99-A107 HydrophobicContact CG2-CB 3.89Å
108	K	65.4	Low	68.9	Low	188 Å²	188	82.4 Å²	82.4	82%	0.817	48%	0.482	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.9	-32.2	174.6	-56	172.9	-177.4	-72.5	0	112.5	M106	M106-K108 PolarHBondContact O-N 2.91Å
109	D	67	Low	69.2	Low	107 Å²	107	75.5 Å²	75.5	57%	0.572	46%	0.458	S	S	*	.	T	Hydrogen-bonded Turn	trans	-104.7	2.9	-175.1	-50.8	-86.7	0	0	0	111.4	H105 M106 S111	H105-D109 HydrophobicContact CB-CB 4.38Å; M106-D109 CarbonylContact O-C 3.41Å; M106-D109 WeakPolarHBondContact O-CA 3.49Å; M106-D109 PolarHBondContact O-N 3.2Å; D109-S111 PolarHBondContact O-N 3.48Å
110	C	69.1	Low	69.5	Low	4 Å²	4	75 Å²	75	3%	0.027	47%	0.465	C	S	.	.			trans	-70.2	111.2	179.1	-176	0	0	0	0	109.9	C97 T99 H105 M106 A112 S113	C97-C110 PolarHBondContact SG-SG 3.2Å; T99-C110 WeakPolarHBondContact OG1-CB 3.29Å; T99-C110 PolarHBondContact OG1-SG 3.2Å; H105-C110 WeakPolarHBondContact CD2-CA 3.4Å; H105-C110 WeakPolarHBondContact NE2-CA 3.41Å; H105-C110 WeakPolarHBondContact NE2-CB 3.13Å; H105-C110 PolarHBondContact NE2-SG 3.24Å; M106-C110 PolarHBondContact O-N 3.14Å; M106-C110 VanDerWaalsContact O-N 3.09Å; C110-A112 PolarHBondContact O-N 2.88Å; C110-S113 WeakPolarHBondContact O-CB 3.27Å; C110-S113 PolarHBondContact O-N 3.12Å; C110-S113 PolarHBondContact O-OG 3.31Å
111	S	64.1	Low	69.1	Low	111 Å²	111	73.7 Å²	73.7	78%	0.776	46%	0.46	S	S	*	.	G	3₁₀ helix	trans	-60.8	-25.5	175.8	-93.1	0	0	0	0	113.3	D109 S113 A114	D109-S111 PolarHBondContact O-N 3.48Å; S111-S113 PolarHBondContact O-N 2.57Å; S111-A114 VanDerWaalsContact O-CB 3.27Å; S111-A114 WeakPolarHBondContact O-CB 3.03Å; S111-A114 PolarHBondContact O-N 3.24Å; S111-A114 VanDerWaalsContact O-N 3.14Å
112	A	60.3	Low	69	Low	68 Å²	68	79.2 Å²	79.2	56%	0.562	47%	0.473	S	S	*	.	G	3₁₀ helix	trans	-67.5	-12.2	172.1	0	0	0	0	0	113.2	C110 A114 T115	C110-A112 PolarHBondContact O-N 2.88Å; A112-A114 VanDerWaalsContact C-N 3.26Å; A112-A114 PolarHBondContact O-N 3.2Å; A112-T115 PolarHBondContact O-OG1 3.5Å
113	S	58.8	Low	69.1	Low	22 Å²	22	77.1 Å²	77.1	15%	0.154	49%	0.485	C	S	.	.	G	3₁₀ helix	trans	-80.2	-0.6	172	74.9	0	0	0	0	114.4	C110 S111 T115 Y117	C110-S113 WeakPolarHBondContact O-CB 3.27Å; C110-S113 PolarHBondContact O-N 3.12Å; C110-S113 PolarHBondContact O-OG 3.31Å; S111-S113 PolarHBondContact O-N 2.57Å; S113-T115 PolarHBondContact O-N 2.71Å; S113-Y117 WeakPolarHBondContact CB-OH 3.41Å
114	A	62.3	Low	69.4	Low	53 Å²	53	74.5 Å²	74.5	44%	0.438	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-67.6	-13.3	176.7	0	0	0	0	0	113.4	S111 A112	S111-A114 VanDerWaalsContact O-CB 3.27Å; S111-A114 WeakPolarHBondContact O-CB 3.03Å; S111-A114 PolarHBondContact O-N 3.24Å; S111-A114 VanDerWaalsContact O-N 3.14Å; A112-A114 VanDerWaalsContact C-N 3.26Å; A112-A114 PolarHBondContact O-N 3.2Å
115	T	67.1	Low	69.1	Low	57 Å²	57	77.5 Å²	77.5	35%	0.35	46%	0.455	S	S	.	.	B	Isolated β-bridge	trans	-89	127.5	170.5	50.4	0	0	0	0	110.8	A112 S113 Y117 G121 E122	A112-T115 PolarHBondContact O-OG1 3.5Å; S113-T115 PolarHBondContact O-N 2.71Å; T115-Y117 PolarHBondContact O-N 3.07Å; T115-G121 CarbonylContact C-O 3.49Å; T115-G121 WeakPolarHBondContact CA-O 3.21Å; T115-E122 HydrophobicContact CG2-CB 4.05Å
116	C	67.7	Low	68.2	Low	2 Å²	2	76.9 Å²	76.9	1%	0.014	46%	0.46	C	S	.	.			trans	-51.3	118.2	176.8	174.6	0	0	0	0	111.8	T118 C119 G120 G121 H124 C129	C116-T118 PolarHBondContact O-N 2.95Å; C116-T118 VanDerWaalsContact O-N 3.12Å; C116-T118 PolarHBondContact SG-N 3.38Å; C116-C119 VanDerWaalsContact CB-SG 3.57Å; C116-C119 PolarHBondContact O-N 2.65Å; C116-C119 PolarHBondContact SG-SG 3.18Å; C116-G120 VanDerWaalsContact O-CA 3.23Å; C116-G120 WeakPolarHBondContact O-CA 3.4Å; C116-G120 PolarHBondContact O-N 3.11Å; C116-G121 VanDerWaalsContact CB-O 3.28Å; C116-G121 WeakPolarHBondContact CB-O 3.4Å; C116-G121 PolarHBondContact N-O 3.42Å; C116-H124 VanDerWaalsContact CB-NE2 3.28Å; C116-H124 WeakPolarHBondContact CB-NE2 3.23Å; C116-H124 PolarHBondContact SG-NE2 2.74Å; C116-H124 VanDerWaalsContact SG-NE2 3.37Å; C116-C129 VanDerWaalsContact SG-CB 3.54Å; C116-C129 PolarHBondContact SG-SG 3.47Å
117	Y	67.1	Low	67.7	Low	148 Å²	148	81.6 Å²	81.6	58%	0.58	47%	0.47	S	S	*	.	T	Hydrogen-bonded Turn	trans	-61.7	-20.1	179.1	-67	-82.3	0	0	0	114.7	T99 S113 T115	T99-Y117 HydrophobicContact CG2-CE1 4.2Å; T99-Y117 WeakPolarHBondContact CG2-OH 3.47Å; S113-Y117 WeakPolarHBondContact CB-OH 3.41Å; T115-Y117 PolarHBondContact O-N 3.07Å
118	T	61.7	Low	67.7	Low	79 Å²	79	85.3 Å²	85.3	49%	0.485	49%	0.486	S	S	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-28.3	-177.1	-31.3	0	0	0	0	112.4	C116	C116-T118 PolarHBondContact O-N 2.95Å; C116-T118 VanDerWaalsContact O-N 3.12Å; C116-T118 PolarHBondContact SG-N 3.38Å
119	C	76.7	Confident	68	Low	53 Å²	53	77 Å²	77	36%	0.358	45%	0.451	S	S	.	.	T	Hydrogen-bonded Turn	trans	-132.5	-7.4	-175.6	73.4	0	0	0	0	115.3	C116 G121 H124 C129 K131	C116-C119 VanDerWaalsContact CB-SG 3.57Å; C116-C119 PolarHBondContact O-N 2.65Å; C116-C119 PolarHBondContact SG-SG 3.18Å; C119-G121 VanDerWaalsContact C-N 3.27Å; C119-G121 PolarHBondContact O-N 2.78Å; C119-G121 PolarHBondContact SG-N 3.27Å; C119-G121 VanDerWaalsContact SG-N 3.4Å; C119-H124 VanDerWaalsContact SG-CE1 3.52Å; C119-H124 PolarHBondContact SG-NE2 3.4Å; C119-C129 VanDerWaalsContact SG-SG 3.64Å; C119-K131 HydrophobicContact CB-CB 4.44Å; C119-K131 HydrophobicContact CB-CD 4.33Å
120	G	70	Confident	68.1	Low	52 Å²	52	77.8 Å²	77.8	54%	0.536	46%	0.462	S	S	.	.			trans	76.6	0.8	-175.7	0	0	0	0	0	115.4	C116	C116-G120 VanDerWaalsContact O-CA 3.23Å; C116-G120 WeakPolarHBondContact O-CA 3.4Å; C116-G120 PolarHBondContact O-N 3.11Å
121	G	69.1	Low	67.8	Low	25 Å²	25	85.6 Å²	85.6	26%	0.258	50%	0.496	S	S	.	.			trans	-82.6	138	-175.3	0	0	0	0	0	114	T115 C116 C119	T115-G121 CarbonylContact C-O 3.49Å; T115-G121 WeakPolarHBondContact CA-O 3.21Å; C116-G121 VanDerWaalsContact CB-O 3.28Å; C116-G121 WeakPolarHBondContact CB-O 3.4Å; C116-G121 PolarHBondContact N-O 3.42Å; C119-G121 VanDerWaalsContact C-N 3.27Å; C119-G121 PolarHBondContact O-N 2.78Å; C119-G121 PolarHBondContact SG-N 3.27Å; C119-G121 VanDerWaalsContact SG-N 3.4Å
122	E	71.2	Confident	67.4	Low	166 Å²	166	82 Å²	82	78%	0.776	48%	0.476	S	S	*	.	B	Isolated β-bridge	trans	-76.7	155.4	172.9	57.9	-165.4	89.4	0	0	113	T115	T115-E122 HydrophobicContact CG2-CB 4.05Å
123	G	73.8	Confident	67.1	Low	81 Å²	81	83.6 Å²	83.6	84%	0.835	48%	0.475	S	S	*	.	T	Hydrogen-bonded Turn	trans	91.4	-1.8	174.3	0	0	0	0	0	116.4
124	H	79.2	Confident	66.9	Low	46 Å²	46	90.5 Å²	90.5	21%	0.213	51%	0.51	C	S	.	.	S	Bend	trans	-147.1	151.6	172.8	67.6	-81.2	0	0	0	112	C116 C119 D128 C129	C116-H124 VanDerWaalsContact CB-NE2 3.28Å; C116-H124 WeakPolarHBondContact CB-NE2 3.23Å; C116-H124 PolarHBondContact SG-NE2 2.74Å; C116-H124 VanDerWaalsContact SG-NE2 3.37Å; C119-H124 VanDerWaalsContact SG-CE1 3.52Å; C119-H124 PolarHBondContact SG-NE2 3.4Å; H124-D128 HydrophobicContact CB-CB 4.45Å; H124-C129 VanDerWaalsContact CD2-CA 3.45Å; H124-C129 WeakPolarHBondContact CD2-CA 3.45Å
125	F	71.2	Confident	66.4	Low	141 Å²	141	98.4 Å²	98.4	62%	0.618	53%	0.529	S	S	*	.			trans	-86.9	159.9	177.3	-62.3	-71.4	0	0	0	111.3	R127 D128 C129	F125-R127 PolarHBondContact O-N 3.45Å; F125-D128 CarbonylContact O-C 3.54Å; F125-D128 WeakPolarHBondContact O-CA 3.28Å; F125-D128 PolarHBondContact O-N 3.32Å; F125-C129 PolarHBondContact O-N 3.37Å; F125-C129 VanDerWaalsContact O-N 3.13Å
126	A	67.3	Low	65.9	Low	45 Å²	45	99.9 Å²	99.9	37%	0.372	54%	0.542	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.9	-20.8	177.3	0	0	0	0	0	114.1
127	R	65.3	Low	65.1	Low	236 Å²	236	111.9 Å²	111.9	89%	0.891	59%	0.589	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.7	-27.4	174.2	-66	-166.4	161.3	-89.9	-6.9	113.4	F125	F125-R127 PolarHBondContact O-N 3.45Å
128	D	66.7	Low	64.3	Low	108 Å²	108	107.8 Å²	107.8	58%	0.578	59%	0.591	S	S	*	*	S	Bend	trans	-106.9	11.5	-176.6	-53.1	-83.4	0	0	0	111	H124 F125 P130	H124-D128 HydrophobicContact CB-CB 4.45Å; F125-D128 CarbonylContact O-C 3.54Å; F125-D128 WeakPolarHBondContact O-CA 3.28Å; F125-D128 PolarHBondContact O-N 3.32Å; D128-P130 WeakPolarHBondContact O-CD 3.28Å
129	C	72.4	Confident	63.8	Low	13 Å²	13	108.3 Å²	108.3	9%	0.088	60%	0.603	C	S	.	*			trans	-68	112.3	-179.3	-169.5	0	0	0	0	110.4	C116 C119 H124 F125 K131 G132	C116-C129 VanDerWaalsContact SG-CB 3.54Å; C116-C129 PolarHBondContact SG-SG 3.47Å; C119-C129 VanDerWaalsContact SG-SG 3.64Å; H124-C129 VanDerWaalsContact CD2-CA 3.45Å; H124-C129 WeakPolarHBondContact CD2-CA 3.45Å; F125-C129 PolarHBondContact O-N 3.37Å; F125-C129 VanDerWaalsContact O-N 3.13Å; C129-K131 PolarHBondContact O-N 3.13Å; C129-G132 PolarHBondContact O-N 2.81Å
130	P	68.8	Low	62.3	Low	124 Å²	124	109.8 Å²	109.8	81%	0.805	63%	0.628	S	S	*	*	T	Hydrogen-bonded Turn	trans	-68.3	-19.9	179.3	29.5	-35.2	0	0	0	111.9	D128 G132	D128-P130 WeakPolarHBondContact O-CD 3.28Å; P130-G132 VanDerWaalsContact C-N 3.31Å
131	K	62.6	Low	61.1	Low	167 Å²	167	110.8 Å²	110.8	73%	0.726	64%	0.638	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.2	-2.8	175.9	-157.7	170.1	-177	174.7	0	112.9	C119 C129 D133	C119-K131 HydrophobicContact CB-CB 4.44Å; C119-K131 HydrophobicContact CB-CD 4.33Å; C129-K131 PolarHBondContact O-N 3.13Å; K131-D133 PolarHBondContact O-N 2.79Å
132	G	55.5	Low	60.2	Low	35 Å²	35	114.2 Å²	114.2	36%	0.361	67%	0.673	S	S	.	*	S	Bend	trans	-67.5	78.8	173.5	0	0	0	0	0	111.3	C129 P130 N134	C129-G132 PolarHBondContact O-N 2.81Å; P130-G132 VanDerWaalsContact C-N 3.31Å; G132-N134 PolarHBondContact O-N 3.02Å
133	D	55.3	Low	58.8	Low	102 Å²	102	109.3 Å²	109.3	55%	0.545	67%	0.667	S	S	.	*	T	Hydrogen-bonded Turn	trans	4.3	79.9	152.1	56.5	-77.1	0	0	0	116	K131 R135	K131-D133 PolarHBondContact O-N 2.79Å; D133-R135 WeakPolarHBondContact O-CB 3.42Å; D133-R135 WeakPolarHBondContact O-CG 3.18Å; D133-R135 PolarHBondContact O-N 3.22Å
134	N	54.9	Low	57.7	Low	167 Å²	167	110 Å²	110	89%	0.893	68%	0.675	S	S	*	*	T	Hydrogen-bonded Turn	trans	41.1	30.7	144.3	-161.7	-109.7	0	0	0	118.4	G132	G132-N134 PolarHBondContact O-N 3.02Å
135	R	50.3	Low	56	Low	219 Å²	219	110.8 Å²	110.8	83%	0.826	70%	0.695	S	S	*	*			trans	-138.1	19.6	-174.5	-68.9	-170.8	-177.1	153.8	2.3	114.9	D133	D133-R135 WeakPolarHBondContact O-CB 3.42Å; D133-R135 WeakPolarHBondContact O-CG 3.18Å; D133-R135 PolarHBondContact O-N 3.22Å
136	S	56.8	Low	55.2	Low	89 Å²	89	108.4 Å²	108.4	62%	0.622	71%	0.711	S	S	*	*			trans	-134.3	50.2	162	-171.3	0	0	0	0	113	G138	S136-G138 PolarHBondContact O-N 3.26Å; S136-G138 VanDerWaalsContact O-N 3.13Å
137	Y	52	Low	54.7	Low	254 Å²	254	109.2 Å²	109.2	100%	0.996	72%	0.723	S	S	*	*	S	Bend	trans	-78.5	68.1	132.9	-158.9	-95.4	0	0	0	107.8
138	G	49.5	Very low	54.5	Low	62 Å²	62	103 Å²	103	64%	0.639	72%	0.716	S	S	*	*			trans	-163.8	39.7	-168.8	0	0	0	0	0	109.6	S136	S136-G138 PolarHBondContact O-N 3.26Å; S136-G138 VanDerWaalsContact O-N 3.13Å
139	A	52.1	Low	54.5	Low	89 Å²	89	107.7 Å²	107.7	74%	0.736	73%	0.726	S	S	*	*	S	Bend	trans	-122.6	83.9	169.3	0	0	0	0	0	109.5
140	G	44.1	Very low	54.6	Low	85 Å²	85	112.5 Å²	112.5	88%	0.876	75%	0.745	S	S	*	*			trans	57.1	90.3	145.4	0	0	0	0	0	117.6
141	G	46.2	Very low	54.9	Low	72 Å²	72	106.7 Å²	106.7	74%	0.742	71%	0.708	S	S	*	*			trans	-157.7	95.1	164.6	0	0	0	0	0	110.1	G143	G141-G143 PolarHBondContact O-N 3.03Å; G141-G143 VanDerWaalsContact O-N 3.11Å
142	G	49.2	Very low	55.5	Low	97 Å²	97	107.6 Å²	107.6	100%	1	71%	0.712	S	S	*	*			trans	-55.5	117.7	163.8	0	0	0	0	0	108.5
143	G	42.1	Very low	56	Low	63 Å²	63	112.7 Å²	112.7	65%	0.649	73%	0.726	S	S	*	*			trans	-178.1	87.2	-177.5	0	0	0	0	0	109	G141 G145	G141-G143 PolarHBondContact O-N 3.03Å; G141-G143 VanDerWaalsContact O-N 3.11Å; G143-G145 PolarHBondContact O-N 2.88Å
144	G	50	Low	57.1	Low	96 Å²	96	109.1 Å²	109.1	99%	0.99	71%	0.709	S	S	*	*			trans	-51.5	113.5	156.9	0	0	0	0	0	107.5
145	G	43.8	Very low	58	Low	63 Å²	63	102.6 Å²	102.6	65%	0.649	68%	0.681	S	S	*	*			trans	-168	63.6	-172.1	0	0	0	0	0	108.9	G143 G147	G143-G145 PolarHBondContact O-N 2.88Å; G145-G147 PolarHBondContact O-N 2.78Å
146	G	54.4	Low	59	Low	91 Å²	91	96.9 Å²	96.9	94%	0.938	66%	0.664	S	S	*	*	T	Hydrogen-bonded Turn	trans	-53.6	119.3	155.9	0	0	0	0	0	107.4
147	G	57.1	Low	60.1	Low	62 Å²	62	97.3 Å²	97.3	64%	0.639	65%	0.654	S	S	*	*	T	Hydrogen-bonded Turn	trans	171.6	-20	178.5	0	0	0	0	0	118.2	G145	G145-G147 PolarHBondContact O-N 2.78Å
148	S	61.6	Low	61.4	Low	106 Å²	106	89.2 Å²	89.2	74%	0.741	65%	0.648	S	S	*	*			trans	-133.4	13.2	-172.7	-45.4	0	0	0	0	116.2	K150 F157	S148-K150 PolarHBondContact O-N 2.92Å; S148-F157 WeakPolarHBondContact O-CE1 3.24Å
149	R	66.3	Low	63.1	Low	205 Å²	205	88.5 Å²	88.5	77%	0.774	63%	0.628	S	S	*	*			trans	-87.7	108.2	167	-72.1	-174.7	-117.5	162.1	-1	108.6
150	K	74.1	Confident	64.3	Low	114 Å²	114	89.2 Å²	89.2	50%	0.496	62%	0.619	S	S	.	*	B	Isolated β-bridge	trans	-78.7	148.3	167.7	56.4	171.1	71.8	-176.2	0	110.5	S148 F152 G155 E156 F157	S148-K150 PolarHBondContact O-N 2.92Å; K150-F152 PolarHBondContact O-N 3.17Å; K150-G155 WeakPolarHBondContact CB-O 3.49Å; K150-G155 WeakPolarHBondContact CD-O 3.45Å; K150-E156 CarbonylContact C-O 3.52Å; K150-E156 WeakPolarHBondContact CA-O 3.4Å; K150-F157 HydrophobicContact CB-CD1 3.79Å; K150-F157 HydrophobicContact CB-CD2 4.42Å; K150-F157 HydrophobicContact CB-CE1 3.62Å; K150-F157 HydrophobicContact CB-CE2 4.28Å; K150-F157 HydrophobicContact CB-CG 4.2Å; K150-F157 HydrophobicContact CB-CZ 3.9Å; K150-F157 HydrophobicContact CG-CE1 4.25Å; K150-F157 HydrophobicContact CG-CZ 4.4Å
151	C	74.8	Confident	65.6	Low	3 Å²	3	86.3 Å²	86.3	2%	0.02	59%	0.587	C	S	.	*			trans	-56.4	131.1	175.2	175	0	0	0	0	110.2	H153 C154 G155 E156 H159 C164	C151-H153 PolarHBondContact O-N 3.01Å; C151-H153 PolarHBondContact SG-N 3.03Å; C151-H153 VanDerWaalsContact SG-N 3.38Å; C151-C154 WeakPolarHBondContact CB-SG 3.36Å; C151-G155 WeakPolarHBondContact O-CA 3.49Å; C151-G155 PolarHBondContact O-N 2.89Å; C151-E156 WeakPolarHBondContact CB-O 3.47Å; C151-E156 PolarHBondContact N-O 3.13Å; C151-H159 VanDerWaalsContact CB-NE2 3.29Å; C151-H159 WeakPolarHBondContact CB-NE2 3.43Å; C151-H159 PolarHBondContact SG-NE2 2.87Å; C151-C164 VanDerWaalsContact SG-SG 3.69Å
152	F	74.6	Confident	66.9	Low	185 Å²	185	94.2 Å²	94.2	81%	0.811	59%	0.594	S	S	*	*	T	Hydrogen-bonded Turn	trans	-71.1	-15.9	179.2	-67	-87.6	0	0	0	113.4	K150 A161	K150-F152 PolarHBondContact O-N 3.17Å; F152-A161 HydrophobicContact CB-CB 4.11Å; F152-A161 HydrophobicContact CD2-CB 4.27Å
153	H	67.8	Low	68.2	Low	143 Å²	143	94.7 Å²	94.7	66%	0.662	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-94.2	-32.1	178.3	-68	-69.9	0	0	0	113.6	C151 A161 C164	C151-H153 PolarHBondContact O-N 3.01Å; C151-H153 PolarHBondContact SG-N 3.03Å; C151-H153 VanDerWaalsContact SG-N 3.38Å; H153-A161 WeakPolarHBondContact CD2-CB 3.45Å; H153-A161 PolarHBondContact CD2-O 3.4Å; H153-C164 HydrophobicContact CB-CB 4.39Å
154	C	78.2	Confident	69.8	Low	27 Å²	27	92.2 Å²	92.2	18%	0.182	55%	0.547	C	S	.	.	T	Hydrogen-bonded Turn	trans	-127.7	-4.6	-175.6	73.6	0	0	0	0	114.6	C151 E156 H159	C151-C154 WeakPolarHBondContact CB-SG 3.36Å; C154-E156 PolarHBondContact O-N 3.09Å; C154-H159 PolarHBondContact SG-CE1 3.26Å; C154-H159 PolarHBondContact SG-NE2 3.46Å
155	G	74	Confident	71	Confident	30 Å²	30	92 Å²	92	31%	0.309	53%	0.528	S	S	.	.			trans	71.6	6.8	178.2	0	0	0	0	0	115.5	K150 C151	K150-G155 WeakPolarHBondContact CB-O 3.49Å; K150-G155 WeakPolarHBondContact CD-O 3.45Å; C151-G155 WeakPolarHBondContact O-CA 3.49Å; C151-G155 PolarHBondContact O-N 2.89Å
156	E	71.6	Confident	72.1	Confident	99 Å²	99	96 Å²	96	46%	0.463	52%	0.523	S	S	.	.			trans	-90.4	145.5	179.4	-100.5	-75.4	77.5	0	0	113.1	K150 C151 C154	K150-E156 CarbonylContact C-O 3.52Å; K150-E156 WeakPolarHBondContact CA-O 3.4Å; C151-E156 WeakPolarHBondContact CB-O 3.47Å; C151-E156 PolarHBondContact N-O 3.13Å; C154-E156 PolarHBondContact O-N 3.09Å
157	F	78.7	Confident	72.3	Confident	98 Å²	98	98.9 Å²	98.9	43%	0.43	51%	0.51	S	S	.	.	B	Isolated β-bridge	trans	-84.4	153.3	177.5	-57.6	-87.8	0	0	0	110.9	S148 K150	S148-F157 WeakPolarHBondContact O-CE1 3.24Å; K150-F157 HydrophobicContact CB-CD1 3.79Å; K150-F157 HydrophobicContact CB-CD2 4.42Å; K150-F157 HydrophobicContact CB-CE1 3.62Å; K150-F157 HydrophobicContact CB-CE2 4.28Å; K150-F157 HydrophobicContact CB-CG 4.2Å; K150-F157 HydrophobicContact CB-CZ 3.9Å; K150-F157 HydrophobicContact CG-CE1 4.25Å; K150-F157 HydrophobicContact CG-CZ 4.4Å
158	G	79	Confident	72.5	Confident	84 Å²	84	103.6 Å²	103.6	87%	0.866	52%	0.515	S	S	*	.	T	Hydrogen-bonded Turn	trans	102.9	-6.4	174.1	0	0	0	0	0	116
159	H	85.3	Confident	72.1	Confident	47 Å²	47	106.7 Å²	106.7	22%	0.218	52%	0.518	C	S	.	.	S	Bend	trans	-143.1	159.5	170.1	63.3	-84.3	0	0	0	111.5	C151 C154 C164	C151-H159 VanDerWaalsContact CB-NE2 3.29Å; C151-H159 WeakPolarHBondContact CB-NE2 3.43Å; C151-H159 PolarHBondContact SG-NE2 2.87Å; C154-H159 PolarHBondContact SG-CE1 3.26Å; C154-H159 PolarHBondContact SG-NE2 3.46Å; H159-C164 VanDerWaalsContact CD2-CA 3.48Å; H159-C164 WeakPolarHBondContact CD2-CA 3.2Å
160	L	77.6	Confident	71.5	Confident	103 Å²	103	105.9 Å²	105.9	54%	0.539	52%	0.523	S	S	.	.			trans	-91.7	158.9	176.8	-59.2	171.8	0	0	0	110	R162 D163 C164	L160-R162 PolarHBondContact O-N 3.31Å; L160-D163 WeakPolarHBondContact CB-OD2 3.36Å; L160-D163 CarbonylContact O-C 3.53Å; L160-D163 WeakPolarHBondContact O-CA 3.3Å; L160-D163 PolarHBondContact O-N 3.26Å; L160-C164 PolarHBondContact O-N 2.85Å
161	A	71.6	Confident	70.2	Confident	25 Å²	25	102.6 Å²	102.6	21%	0.207	52%	0.517	C	S	.	.	G	3₁₀ helix	trans	-48.6	-34.2	177.6	0	0	0	0	0	114.1	F152 H153 D163	F152-A161 HydrophobicContact CB-CB 4.11Å; F152-A161 HydrophobicContact CD2-CB 4.27Å; H153-A161 WeakPolarHBondContact CD2-CB 3.45Å; H153-A161 PolarHBondContact CD2-O 3.4Å; A161-D163 VanDerWaalsContact C-N 3.33Å
162	R	73.1	Confident	68.8	Low	237 Å²	237	106.4 Å²	106.4	89%	0.894	56%	0.557	S	S	*	*	G	3₁₀ helix	trans	-74.3	-25.7	179.2	-68.7	-176.8	156.9	-121	-5.6	113.9	L160	L160-R162 PolarHBondContact O-N 3.31Å
163	D	75.9	Confident	67.6	Low	107 Å²	107	103.9 Å²	103.9	57%	0.572	55%	0.552	S	S	*	*	G	3₁₀ helix	trans	-107.8	20.1	-174.5	-49	-84.1	0	0	0	110.5	L160 A161 P165	L160-D163 WeakPolarHBondContact CB-OD2 3.36Å; L160-D163 CarbonylContact O-C 3.53Å; L160-D163 WeakPolarHBondContact O-CA 3.3Å; L160-D163 PolarHBondContact O-N 3.26Å; A161-D163 VanDerWaalsContact C-N 3.33Å; D163-P165 VanDerWaalsContact O-CD 3.26Å; D163-P165 WeakPolarHBondContact O-CD 3.17Å
164	C	77.2	Confident	67	Low	12 Å²	12	104.4 Å²	104.4	8%	0.081	56%	0.555	C	S	.	*			trans	-74	112.2	-178.3	-174.6	0	0	0	0	110.1	C151 H153 H159 L160 R166 K167	C151-C164 VanDerWaalsContact SG-SG 3.69Å; H153-C164 HydrophobicContact CB-CB 4.39Å; H159-C164 VanDerWaalsContact CD2-CA 3.48Å; H159-C164 WeakPolarHBondContact CD2-CA 3.2Å; L160-C164 PolarHBondContact O-N 2.85Å; C164-R166 PolarHBondContact O-N 3.33Å; C164-R166 VanDerWaalsContact O-N 3.15Å; C164-K167 WeakPolarHBondContact O-CB 3.4Å; C164-K167 PolarHBondContact O-N 3.18Å
165	P	75.3	Confident	66	Low	91 Å²	91	109.3 Å²	109.3	59%	0.591	58%	0.575	S	S	*	*	G	3₁₀ helix	trans	-70	-13	-175.1	29.5	-36	0	0	0	113	D163 K167	D163-P165 VanDerWaalsContact O-CD 3.26Å; D163-P165 WeakPolarHBondContact O-CD 3.17Å; P165-K167 PolarHBondContact O-N 2.88Å
166	R	65.8	Low	65.8	Low	146 Å²	146	114.5 Å²	114.5	55%	0.551	59%	0.591	S	S	*	*	G	3₁₀ helix	trans	-76.4	10.5	176.5	-55.7	-169.6	-158.7	169.3	7.5	113.9	C164	C164-R166 PolarHBondContact O-N 3.33Å; C164-R166 VanDerWaalsContact O-N 3.15Å
167	K	59.7	Low	65.9	Low	152 Å²	152	112.5 Å²	112.5	66%	0.661	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-78.1	-21.4	-175.8	-175.2	173.2	176	169.6	0	113.5	C164 P165 A171	C164-K167 WeakPolarHBondContact O-CB 3.4Å; C164-K167 PolarHBondContact O-N 3.18Å; P165-K167 PolarHBondContact O-N 2.88Å; K167-A171 WeakPolarHBondContact O-CB 3.37Å
168	E	59.4	Low	65.7	Low	162 Å²	162	107.9 Å²	107.9	76%	0.757	57%	0.565	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.7	-22	-170.7	-84.7	100.5	83.8	0	0	116
169	E	54.2	Low	65.5	Low	171 Å²	171	107.5 Å²	107.5	80%	0.799	56%	0.561	S	S	*	*	T	Hydrogen-bonded Turn	trans	-97.2	-35.3	-166.2	-56.5	-177.9	102.4	0	0	113.8
170	E	52.8	Low	65.1	Low	188 Å²	188	112.4 Å²	112.4	88%	0.879	58%	0.582	S	S	*	*	S	Bend	trans	-146.9	55.5	-175.5	-74.9	-83.4	81.2	0	0	109.6
171	A	47	Very low	65.3	Low	44 Å²	44	109.4 Å²	109.4	36%	0.364	57%	0.569	S	S	.	*			trans	-119.7	21.3	172.6	0	0	0	0	0	112.2	K167 D173 H174	K167-A171 WeakPolarHBondContact O-CB 3.37Å; A171-D173 VanDerWaalsContact C-N 3.29Å; A171-H174 PolarHBondContact O-CE1 3.07Å; A171-H174 PolarHBondContact O-ND1 2.92Å
172	G	47	Very low	65.4	Low	84 Å²	84	114.2 Å²	114.2	87%	0.866	59%	0.591	S	S	*	*	S	Bend	trans	-82.5	1.1	178.4	0	0	0	0	0	115.1
173	D	49.3	Very low	65.6	Low	132 Å²	132	107 Å²	107	71%	0.706	57%	0.574	S	S	*	*			trans	-151.1	65.7	-177.1	159.8	-129.1	0	0	0	107.8	A171 E175	A171-D173 VanDerWaalsContact C-N 3.29Å; D173-E175 PolarHBondContact O-N 2.74Å; D173-E175 PolarHBondContact OD2-N 2.65Å
174	H	54.8	Low	65.6	Low	154 Å²	154	103.7 Å²	103.7	71%	0.713	56%	0.561	S	S	*	*			trans	-82.6	79.4	149	42.3	-78.6	0	0	0	104.2	A171 E176	A171-H174 PolarHBondContact O-CE1 3.07Å; A171-H174 PolarHBondContact O-ND1 2.92Å; H174-E176 PolarHBondContact O-N 3.12Å
175	E	57.5	Low	65.5	Low	130 Å²	130	106 Å²	106	61%	0.607	59%	0.587	S	S	*	*			trans	-37.3	111.2	164	-168.9	-178	69.7	0	0	106.2	D173 V177 A184	D173-E175 PolarHBondContact O-N 2.74Å; D173-E175 PolarHBondContact OD2-N 2.65Å; E175-V177 WeakPolarHBondContact O-CB 3.29Å; E175-V177 PolarHBondContact O-N 3.32Å; E175-A184 VanDerWaalsContact CD-CB 3.41Å; E175-A184 HydrophobicContact CG-CB 3.45Å; E175-A184 VanDerWaalsContact CG-CB 3.45Å; E175-A184 VanDerWaalsContact OE1-CB 3.31Å; E175-A184 WeakPolarHBondContact OE1-CB 3.49Å
176	E	68.3	Low	65.9	Low	138 Å²	138	103.5 Å²	103.5	65%	0.645	57%	0.567	S	S	*	*			trans	-63.1	82.9	-170	50.7	-164.1	69.4	0	0	109.2	H174 A184 G185	H174-E176 PolarHBondContact O-N 3.12Å; E176-A184 WeakPolarHBondContact O-CA 3.35Å; E176-G185 PolarHBondContact O-N 2.9Å; E176-G185 VanDerWaalsContact O-N 3.12Å
177	V	74.1	Confident	66.5	Low	57 Å²	57	101.9 Å²	101.9	35%	0.345	57%	0.569	S	S	.	*	B	Isolated β-bridge	trans	-93.7	123.3	-172.4	76.8	0	0	0	0	107.8	E175 G179 N182 V183	E175-V177 WeakPolarHBondContact O-CB 3.29Å; E175-V177 PolarHBondContact O-N 3.32Å; V177-G179 PolarHBondContact O-N 2.79Å; V177-G179 VanDerWaalsContact O-N 3.07Å; V177-N182 HydrophobicContact CG2-CB 4.35Å; V177-N182 WeakPolarHBondContact CG2-O 3.47Å; V177-V183 VanDerWaalsContact CG2-C 3.45Å
178	C	74.9	Confident	67.1	Low	2 Å²	2	96.5 Å²	96.5	1%	0.014	55%	0.553	C	S	.	*			trans	-58.3	116.5	-177.1	171.2	0	0	0	0	110.2	K180 C181 N182 V183 H186 C191	C178-K180 PolarHBondContact O-N 2.73Å; C178-C181 VanDerWaalsContact CB-SG 3.59Å; C178-C181 PolarHBondContact O-N 3.49Å; C178-C181 VanDerWaalsContact SG-SG 3.63Å; C178-N182 VanDerWaalsContact O-CA 3.3Å; C178-N182 WeakPolarHBondContact O-CA 3.35Å; C178-N182 PolarHBondContact O-N 3.45Å; C178-V183 WeakPolarHBondContact CB-O 3.48Å; C178-V183 PolarHBondContact N-O 3.38Å; C178-H186 WeakPolarHBondContact CB-NE2 3.16Å; C178-H186 WeakPolarHBondContact CB-O 3.26Å; C178-H186 PolarHBondContact SG-NE2 3.31Å; C178-C191 WeakPolarHBondContact SG-CB 3.2Å; C178-C191 PolarHBondContact SG-SG 3.29Å
179	G	74.4	Confident	67.7	Low	75 Å²	75	96.3 Å²	96.3	77%	0.773	56%	0.558	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63.7	-4.4	-178	0	0	0	0	0	115.7	V177	V177-G179 PolarHBondContact O-N 2.79Å; V177-G179 VanDerWaalsContact O-N 3.07Å
180	K	76.8	Confident	68.6	Low	150 Å²	150	93.4 Å²	93.4	65%	0.652	55%	0.547	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.1	-38.8	173.8	-72.7	179.2	-179.8	164.4	0	113.3	C178 A188 C191	C178-K180 PolarHBondContact O-N 2.73Å; K180-A188 WeakPolarHBondContact CD-O 3.31Å; K180-A188 VanDerWaalsContact CE-O 3.24Å; K180-A188 WeakPolarHBondContact CE-O 3.42Å; K180-A188 HydrophobicContact CG-CB 4.47Å; K180-A188 PolarHBondContact NZ-O 3.17Å; K180-C191 HydrophobicContact CB-CB 4.36Å; K180-C191 HydrophobicContact CD-CB 4.16Å
181	C	81.7	Confident	69.8	Low	40 Å²	40	85.7 Å²	85.7	27%	0.27	51%	0.514	S	S	.	.	T	Hydrogen-bonded Turn	trans	-121	-4.8	-175.2	67.3	0	0	0	0	114.6	C178 V183 H186 A193	C178-C181 VanDerWaalsContact CB-SG 3.59Å; C178-C181 PolarHBondContact O-N 3.49Å; C178-C181 VanDerWaalsContact SG-SG 3.63Å; C181-V183 PolarHBondContact O-N 3.48Å; C181-H186 PolarHBondContact SG-CE1 3.21Å; C181-H186 PolarHBondContact SG-NE2 3.11Å; C181-A193 HydrophobicContact CB-CB 3.66Å
182	N	74.2	Confident	71	Confident	127 Å²	127	89.1 Å²	89.1	68%	0.679	53%	0.531	S	S	*	.			trans	54.4	33.3	-176.8	-155.9	79.3	0	0	0	113.9	V177 C178	V177-N182 HydrophobicContact CG2-CB 4.35Å; V177-N182 WeakPolarHBondContact CG2-O 3.47Å; C178-N182 VanDerWaalsContact O-CA 3.3Å; C178-N182 WeakPolarHBondContact O-CA 3.35Å; C178-N182 PolarHBondContact O-N 3.45Å
183	V	77.4	Confident	72.1	Confident	86 Å²	86	88.1 Å²	88.1	52%	0.521	51%	0.514	S	S	.	.			trans	-107.5	135.4	169.4	176.1	0	0	0	0	109.5	V177 C178 C181	V177-V183 VanDerWaalsContact CG2-C 3.45Å; C178-V183 WeakPolarHBondContact CB-O 3.48Å; C178-V183 PolarHBondContact N-O 3.38Å; C181-V183 PolarHBondContact O-N 3.48Å
184	A	76.1	Confident	72.7	Confident	36 Å²	36	86 Å²	86	30%	0.298	52%	0.515	S	S	.	.	B	Isolated β-bridge	trans	-72.8	152.2	178.2	0	0	0	0	0	113.5	E175 E176	E175-A184 VanDerWaalsContact CD-CB 3.41Å; E175-A184 HydrophobicContact CG-CB 3.45Å; E175-A184 VanDerWaalsContact CG-CB 3.45Å; E175-A184 VanDerWaalsContact OE1-CB 3.31Å; E175-A184 WeakPolarHBondContact OE1-CB 3.49Å; E176-A184 WeakPolarHBondContact O-CA 3.35Å
185	G	74.7	Confident	72.6	Confident	61 Å²	61	87.1 Å²	87.1	63%	0.629	52%	0.521	S	S	*	.	S	Bend	trans	96.7	15.6	169.3	0	0	0	0	0	115.8	E176	E176-G185 PolarHBondContact O-N 2.9Å; E176-G185 VanDerWaalsContact O-N 3.12Å
186	H	83.3	Confident	72.1	Confident	39 Å²	39	89 Å²	89	18%	0.181	56%	0.558	C	S	.	*	S	Bend	trans	-157.1	153.6	169.2	64.3	-79.9	0	0	0	112.2	C178 C181 D190 C191	C178-H186 WeakPolarHBondContact CB-NE2 3.16Å; C178-H186 WeakPolarHBondContact CB-O 3.26Å; C178-H186 PolarHBondContact SG-NE2 3.31Å; C181-H186 PolarHBondContact SG-CE1 3.21Å; C181-H186 PolarHBondContact SG-NE2 3.11Å; H186-D190 HydrophobicContact CB-CB 4.49Å; H186-C191 VanDerWaalsContact CD2-CA 3.47Å; H186-C191 WeakPolarHBondContact CD2-CA 3.49Å
187	D	79	Confident	72.3	Confident	111 Å²	111	86.5 Å²	86.5	59%	0.594	55%	0.553	S	S	*	*			trans	-76.6	156.2	178	-50.1	-82.7	0	0	0	112.2	N189 D190 C191	D187-N189 PolarHBondContact O-N 3.34Å; D187-D190 PolarHBondContact O-N 3.15Å; D187-C191 PolarHBondContact O-N 3.25Å
188	A	71.5	Confident	72.2	Confident	40 Å²	40	88.1 Å²	88.1	33%	0.331	56%	0.564	S	S	.	*	T	Hydrogen-bonded Turn	trans	-56.5	-15.2	173.3	0	0	0	0	0	114.3	K180	K180-A188 WeakPolarHBondContact CD-O 3.31Å; K180-A188 VanDerWaalsContact CE-O 3.24Å; K180-A188 WeakPolarHBondContact CE-O 3.42Å; K180-A188 HydrophobicContact CG-CB 4.47Å; K180-A188 PolarHBondContact NZ-O 3.17Å
189	N	72.9	Confident	72	Confident	158 Å²	158	92.8 Å²	92.8	85%	0.845	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.4	-30.1	174.5	-66.5	-48.2	0	0	0	113.2	D187	D187-N189 PolarHBondContact O-N 3.34Å
190	D	73.8	Confident	71.9	Confident	109 Å²	109	93.9 Å²	93.9	58%	0.583	58%	0.584	S	S	*	*	T	Hydrogen-bonded Turn	trans	-96.9	4.9	-178.8	-160.7	-115.2	0	0	0	112.6	H186 D187 T192	H186-D190 HydrophobicContact CB-CB 4.49Å; D187-D190 PolarHBondContact O-N 3.15Å; D190-T192 PolarHBondContact O-N 3.44Å
191	C	76.6	Confident	71.6	Confident	26 Å²	26	90.4 Å²	90.4	18%	0.176	58%	0.58	C	S	.	*			trans	-64	106.7	-178.7	-169.3	0	0	0	0	112.6	C178 K180 H186 D187	C178-C191 WeakPolarHBondContact SG-CB 3.2Å; C178-C191 PolarHBondContact SG-SG 3.29Å; K180-C191 HydrophobicContact CB-CB 4.36Å; K180-C191 HydrophobicContact CD-CB 4.16Å; H186-C191 VanDerWaalsContact CD2-CA 3.47Å; H186-C191 WeakPolarHBondContact CD2-CA 3.49Å; D187-C191 PolarHBondContact O-N 3.25Å
192	T	73	Confident	70.9	Confident	117 Å²	117	93.7 Å²	93.7	72%	0.718	60%	0.601	S	S	*	*			trans	-90.8	1.3	177.3	61.7	0	0	0	0	114.1	D190 A194 E195	D190-T192 PolarHBondContact O-N 3.44Å; T192-A194 PolarHBondContact O-N 3.25Å; T192-E195 PolarHBondContact O-N 3.36Å
193	A	69.6	Low	70.6	Confident	62 Å²	62	91.4 Å²	91.4	51%	0.512	60%	0.595	S	S	.	*	T	Hydrogen-bonded Turn	trans	-63.7	2.7	-177.9	0	0	0	0	0	115	C181 E195	C181-A193 HydrophobicContact CB-CB 3.66Å; A193-E195 PolarHBondContact O-N 3.23Å
194	A	62.3	Low	70.1	Confident	88 Å²	88	91.8 Å²	91.8	73%	0.727	60%	0.601	S	S	*	*	T	Hydrogen-bonded Turn	trans	-75.2	-6.6	171.7	0	0	0	0	0	113.6	T192	T192-A194 PolarHBondContact O-N 3.25Å
195	E	53.5	Low	69.6	Low	178 Å²	178	96.4 Å²	96.4	83%	0.832	63%	0.626	S	S	*	*			trans	-118.4	69.6	178.2	-55.3	-75.3	108	0	0	111	T192 A193	T192-E195 PolarHBondContact O-N 3.36Å; A193-E195 PolarHBondContact O-N 3.23Å
196	A	45.4	Very low	69.2	Low	168 Å²	168	99.6 Å²	99.6	100%	1.388	63%	0.626	S	S	*	*			trans	-164.1	0	156.2	0	0	0	0	0	111.6

Retrieved 196 of 196 residues in 86.8 ms (Link to these results)

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