A0A3Q0KLP8_SCHMA Loading...

Isopentenyl-diphosphate delta-isomerase

AlphaFold DB , UniProt , Accession A0A3Q0KLP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 193 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	54.9	Low	56.3	Low	234 Å²	234	139.8 Å²	139.8	100%	1.153	81%	0.808	S	S	*	*				0	75.8	0	-168.6	167.7	127.4	0	0	106.1
2	I	50.9	Low	56	Low	152 Å²	152	141.4 Å²	141.4	78%	0.779	81%	0.808	S	S	*	*				34.1	116.2	85.2	-23.4	-178.2	0	0	0	109.2
3	I	55.5	Low	55.9	Low	152 Å²	152	139.6 Å²	139.6	78%	0.779	80%	0.802	S	S	*	*				-168	132.1	59.8	-65.6	147.1	0	0	0	104.9
4	G	53.9	Low	54.9	Low	63 Å²	63	137.4 Å²	137.4	65%	0.649	80%	0.798	S	S	*	*				62.9	139.1	83.2	0	0	0	0	0	112.3
5	T	63.3	Low	54.8	Low	141 Å²	141	137.4 Å²	137.4	87%	0.865	80%	0.801	S	S	*	*			cis	-171.3	152.9	15.7	38.9	0	0	0	0	109.4
6	V	57.4	Low	54.4	Low	124 Å²	124	137.4 Å²	137.4	75%	0.752	80%	0.803	S	S	*	*			trans	-62.5	147.9	164.9	-71.3	0	0	0	0	112.8
7	T	60.9	Low	53.5	Low	126 Å²	126	137.9 Å²	137.9	77%	0.773	80%	0.802	S	S	*	*				161.1	150.3	90.1	32.9	0	0	0	0	109.2
8	P	58.2	Low	52.8	Low	131 Å²	131	136.6 Å²	136.6	85%	0.851	80%	0.801	S	S	*	*			trans	-99.2	141.1	161.2	34.1	-27.2	0	0	0	111.8
9	K	57.7	Low	51.9	Low	197 Å²	197	136 Å²	136	86%	0.857	80%	0.804	S	S	*	*			trans	-110.6	124.4	-179	-163.3	-172.6	179	90.3	0	110.6
10	T	51.6	Low	51.4	Low	115 Å²	115	138.2 Å²	138.2	71%	0.706	81%	0.806	S	S	*	*			trans	-64.8	142.8	166.9	-41.9	0	0	0	0	110.9
11	S	55.3	Low	50.7	Low	103 Å²	103	137.9 Å²	137.9	72%	0.72	81%	0.806	S	S	*	*			trans	-146.8	108.5	156.9	-71.9	0	0	0	0	109.5
12	I	51.9	Low	50.4	Low	159 Å²	159	132.3 Å²	132.3	82%	0.815	79%	0.785	S	S	*	*			trans	-91.6	129.1	160.9	-66.9	172.5	0	0	0	105.5
13	T	55.5	Low	50	Low	118 Å²	118	129.4 Å²	129.4	72%	0.724	78%	0.779	S	S	*	*			trans	-143.5	118	169.2	-61.4	0	0	0	0	108.5
14	S	42.1	Very low	49.5	Very low	108 Å²	108	128.6 Å²	128.6	76%	0.755	78%	0.78	S	S	*	*			trans	-71.6	134.7	167.9	51.7	0	0	0	0	110.4
15	V	52.9	Low	48.7	Very low	138 Å²	138	131.7 Å²	131.7	84%	0.836	79%	0.787	S	S	*	*			trans	-134.2	122.6	155.2	-75.5	0	0	0	0	109.1
16	V	48.5	Very low	47.7	Very low	138 Å²	138	131.2 Å²	131.2	84%	0.836	78%	0.784	S	S	*	*			trans	-79.5	161	167.1	-74.3	0	0	0	0	109.2
17	D	39	Very low	47.3	Very low	145 Å²	145	130 Å²	130	78%	0.775	78%	0.781	S	S	*	*			trans	87.1	106.6	153.6	-144.6	12.2	0	0	0	117.7
18	S	40.8	Very low	46.6	Very low	114 Å²	114	129.7 Å²	129.7	80%	0.797	78%	0.784	S	S	*	*				171.7	103.1	129.3	-76.6	0	0	0	0	110.1	Q20	S18-Q20 PolarHBondContact O-N 2.89Å
19	C	36.3	Very low	46.6	Very low	126 Å²	126	129.6 Å²	129.6	85%	0.851	78%	0.78	S	S	*	*			trans	-68.5	117	165	-49.1	0	0	0	0	108.5
20	Q	41.7	Very low	46.1	Very low	180 Å²	180	126 Å²	126	84%	0.841	78%	0.777	S	S	*	*			trans	-107.1	98.6	165.6	-160.1	163.6	74	0	0	108.9	S18 T22	S18-Q20 PolarHBondContact O-N 2.89Å; Q20-T22 PolarHBondContact O-N 3.26Å
21	T	36.9	Very low	45.7	Very low	132 Å²	132	127.4 Å²	127.4	81%	0.81	79%	0.785	S	S	*	*			trans	-63.4	103	162.7	-60	0	0	0	0	108.1
22	T	47.6	Very low	45.1	Very low	116 Å²	116	126.8 Å²	126.8	71%	0.712	78%	0.781	S	S	*	*			trans	-96.4	110.9	166.1	-48.5	0	0	0	0	108.3	Q20	Q20-T22 PolarHBondContact O-N 3.26Å
23	S	43.2	Very low	44.5	Very low	92 Å²	92	125.2 Å²	125.2	64%	0.643	78%	0.784	S	S	*	*			trans	-46.5	125.4	176	40.4	0	0	0	0	113.8	T25	S23-T25 PolarHBondContact O-N 2.9Å
24	V	44.5	Very low	44.1	Very low	135 Å²	135	122.8 Å²	122.8	82%	0.818	77%	0.772	S	S	*	*			trans	-57.8	115.5	161.4	-74.7	0	0	0	0	109.8
25	T	38.4	Very low	44.7	Very low	127 Å²	127	122.3 Å²	122.3	78%	0.779	77%	0.769	S	S	*	*			trans	-97.1	103.8	162.1	-61	0	0	0	0	107.1	S23 S27	S23-T25 PolarHBondContact O-N 2.9Å; T25-S27 PolarHBondContact O-N 3.1Å
26	T	41.4	Very low	45.1	Very low	132 Å²	132	124 Å²	124	81%	0.81	77%	0.768	S	S	*	*			trans	-73.9	93.9	171.8	39.3	0	0	0	0	109.4
27	S	49.5	Very low	46.1	Very low	99 Å²	99	123.4 Å²	123.4	69%	0.692	76%	0.759	S	S	*	*			trans	-94.8	103.7	160.8	63.8	0	0	0	0	108.9	T25 V29	T25-S27 PolarHBondContact O-N 3.1Å; S27-V29 PolarHBondContact O-N 3.07Å
28	S	45.5	Very low	48.3	Very low	118 Å²	118	120 Å²	120	83%	0.825	74%	0.744	S	S	*	*			trans	-61.3	119.9	169.1	50.3	0	0	0	0	111
29	V	59.1	Low	50.6	Low	129 Å²	129	117.9 Å²	117.9	78%	0.782	73%	0.729	S	S	*	*			trans	-127.4	138.3	159.6	-79.4	0	0	0	0	109.4	S27	S27-V29 PolarHBondContact O-N 3.07Å
30	P	47.4	Very low	53.2	Low	122 Å²	122	113.8 Å²	113.8	79%	0.792	71%	0.709	S	S	*	*			trans	-75.1	143.1	-167.5	30.3	-33.8	0	0	0	112.5	S32	P30-S32 PolarHBondContact O-N 3.11Å
31	V	41.6	Very low	55.7	Low	144 Å²	144	109.2 Å²	109.2	87%	0.873	69%	0.693	S	S	*	*			trans	-64	115.3	174.6	58	0	0	0	0	111.6
32	S	43.2	Very low	58.4	Low	90 Å²	90	108.5 Å²	108.5	63%	0.629	68%	0.683	S	S	*	*			trans	-152.8	98	168.8	-68.4	0	0	0	0	110.8	P30 S34	P30-S32 PolarHBondContact O-N 3.11Å; S32-S34 PolarHBondContact O-N 2.87Å; S32-S34 VanDerWaalsContact O-N 3.15Å
33	S	39.9	Very low	60.5	Low	126 Å²	126	107.6 Å²	107.6	88%	0.881	67%	0.673	S	S	*	*	S	Bend	trans	37.1	60.4	148.3	62.6	0	0	0	0	119.6
34	S	47	Very low	62.9	Low	68 Å²	68	106.2 Å²	106.2	48%	0.476	66%	0.664	S	S	.	*			trans	-150.5	47.3	172.9	70.7	0	0	0	0	113.6	S32 E36 N37	S32-S34 PolarHBondContact O-N 2.87Å; S32-S34 VanDerWaalsContact O-N 3.15Å; S34-E36 VanDerWaalsContact C-N 3.29Å; S34-E36 PolarHBondContact O-N 2.68Å; S34-N37 PolarHBondContact O-N 2.86Å
35	S	54.6	Low	65.3	Low	98 Å²	98	103.9 Å²	103.9	69%	0.685	65%	0.647	S	S	*	*	H	α-helix	trans	-60.7	-30.5	-171	-61.5	0	0	0	0	114.6	N37 T38	S35-N37 PolarHBondContact O-N 2.84Å; S35-T38 PolarHBondContact O-N 3.27Å; S35-T38 PolarHBondContact O-OG1 2.76Å
36	E	61.5	Low	67.9	Low	174 Å²	174	100.9 Å²	100.9	81%	0.813	63%	0.626	S	S	*	*	H	α-helix	trans	-68.6	-34.1	-176.8	-68.3	-176.7	154.1	0	0	113.9	S34 T38 S39	S34-E36 VanDerWaalsContact C-N 3.29Å; S34-E36 PolarHBondContact O-N 2.68Å; E36-T38 VanDerWaalsContact C-N 3.34Å; E36-T38 PolarHBondContact O-N 2.81Å; E36-S39 PolarHBondContact O-OG 3.42Å; E36-S39 VanDerWaalsContact O-OG 3.04Å
37	N	69.1	Low	70.3	Confident	124 Å²	124	98.6 Å²	98.6	66%	0.663	60%	0.602	S	S	*	*	H	α-helix	trans	-72.9	-31.1	178.8	-73.2	-14.8	0	0	0	111.9	S34 S35 V41	S34-N37 PolarHBondContact O-N 2.86Å; S35-N37 PolarHBondContact O-N 2.84Å; N37-V41 WeakPolarHBondContact O-CG2 3.46Å; N37-V41 PolarHBondContact O-N 2.92Å; N37-V41 VanDerWaalsContact O-N 3.17Å
38	T	86	Confident	72.3	Confident	75 Å²	75	98 Å²	98	46%	0.46	60%	0.595	S	S	.	*	H	α-helix	trans	-68.2	-41.6	-178.2	65.7	0	0	0	0	111.9	S35 E36 V41 L42	S35-T38 PolarHBondContact O-N 3.27Å; S35-T38 PolarHBondContact O-OG1 2.76Å; E36-T38 VanDerWaalsContact C-N 3.34Å; E36-T38 PolarHBondContact O-N 2.81Å; T38-V41 PolarHBondContact O-N 2.73Å; T38-L42 WeakPolarHBondContact O-CB 3.41Å; T38-L42 WeakPolarHBondContact O-CG 3.41Å; T38-L42 PolarHBondContact O-N 2.87Å
39	S	88.5	Confident	74.6	Confident	69 Å²	69	97.7 Å²	97.7	48%	0.483	58%	0.58	S	S	.	*	H	α-helix	trans	-66.5	-38.2	178.6	59	0	0	0	0	112.1	E36 L42 L43	E36-S39 PolarHBondContact O-OG 3.42Å; E36-S39 VanDerWaalsContact O-OG 3.04Å; S39-L42 PolarHBondContact O-N 3.49Å; S39-L43 VanDerWaalsContact O-CB 3.3Å; S39-L43 WeakPolarHBondContact O-CB 3.25Å; S39-L43 PolarHBondContact O-N 3.03Å
40	G	91.6	Very high	76.2	Confident	40 Å²	40	91.6 Å²	91.6	41%	0.412	54%	0.543	S	S	.	.	H	α-helix	trans	-60.6	-45.8	174	0	0	0	0	0	112.7	L43 S44	G40-L43 PolarHBondContact O-N 2.93Å; G40-S44 PolarHBondContact O-N 3.35Å; G40-S44 PolarHBondContact O-OG 3.42Å
41	V	92.7	Very high	78.2	Confident	84 Å²	84	88.7 Å²	88.7	51%	0.509	52%	0.521	S	S	.	.	H	α-helix	trans	-65.2	-41.6	176.2	174.2	0	0	0	0	111.6	N37 T38 L43 S44 N45	N37-V41 WeakPolarHBondContact O-CG2 3.46Å; N37-V41 PolarHBondContact O-N 2.92Å; N37-V41 VanDerWaalsContact O-N 3.17Å; T38-V41 PolarHBondContact O-N 2.73Å; V41-L43 VanDerWaalsContact C-N 3.34Å; V41-S44 WeakPolarHBondContact CA-OG 3.46Å; V41-S44 PolarHBondContact O-N 3.3Å; V41-S44 PolarHBondContact O-OG 3.07Å; V41-N45 WeakPolarHBondContact O-CB 3.27Å; V41-N45 VanDerWaalsContact O-CG 3.26Å; V41-N45 PolarHBondContact O-N 2.82Å; V41-N45 PolarHBondContact O-ND2 2.81Å
42	L	94.6	Very high	80.6	Confident	116 Å²	116	89.2 Å²	89.2	61%	0.607	51%	0.514	S	S	*	.	H	α-helix	trans	-63.7	-40.5	175.6	-69.5	173.3	0	0	0	111.6	T38 S39 N45 L46	T38-L42 WeakPolarHBondContact O-CB 3.41Å; T38-L42 WeakPolarHBondContact O-CG 3.41Å; T38-L42 PolarHBondContact O-N 2.87Å; S39-L42 PolarHBondContact O-N 3.49Å; L42-N45 PolarHBondContact O-N 2.67Å; L42-L46 WeakPolarHBondContact O-CB 3.34Å; L42-L46 PolarHBondContact O-N 3.1Å
43	L	91.8	Very high	82.7	Confident	97 Å²	97	87.7 Å²	87.7	51%	0.508	50%	0.498	S	S	.	.	H	α-helix	trans	-66.6	-42	177.4	-178.8	62.1	0	0	0	111.7	S39 G40 V41 N45 L46 W47	S39-L43 VanDerWaalsContact O-CB 3.3Å; S39-L43 WeakPolarHBondContact O-CB 3.25Å; S39-L43 PolarHBondContact O-N 3.03Å; G40-L43 PolarHBondContact O-N 2.93Å; V41-L43 VanDerWaalsContact C-N 3.34Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-N45 PolarHBondContact O-N 3.44Å; L43-L46 PolarHBondContact O-N 3.2Å; L43-W47 VanDerWaalsContact O-CB 3.29Å; L43-W47 WeakPolarHBondContact O-CB 3.36Å; L43-W47 PolarHBondContact O-N 3.2Å
44	S	92.9	Very high	85.1	Confident	63 Å²	63	88.3 Å²	88.3	44%	0.441	49%	0.487	S	S	.	.	H	α-helix	trans	-62.9	-41.4	175.6	59.2	0	0	0	0	111.7	G40 V41 W47 T48	G40-S44 PolarHBondContact O-N 3.35Å; G40-S44 PolarHBondContact O-OG 3.42Å; V41-S44 WeakPolarHBondContact CA-OG 3.46Å; V41-S44 PolarHBondContact O-N 3.3Å; V41-S44 PolarHBondContact O-OG 3.07Å; S44-W47 PolarHBondContact O-N 3.09Å; S44-T48 PolarHBondContact O-N 3.21Å; S44-T48 VanDerWaalsContact O-N 3.07Å; S44-T48 PolarHBondContact O-OG1 2.97Å
45	N	94.2	Very high	87.2	Confident	87 Å²	87	85.8 Å²	85.8	47%	0.465	47%	0.469	S	S	.	.	H	α-helix	trans	-62.5	-46.3	175	-72.2	-34.1	0	0	0	111.4	V41 L42 L43 W47 T48 Q49	V41-N45 WeakPolarHBondContact O-CB 3.27Å; V41-N45 VanDerWaalsContact O-CG 3.26Å; V41-N45 PolarHBondContact O-N 2.82Å; V41-N45 PolarHBondContact O-ND2 2.81Å; L42-N45 PolarHBondContact O-N 2.67Å; L43-N45 VanDerWaalsContact C-N 3.33Å; L43-N45 PolarHBondContact O-N 3.44Å; N45-W47 VanDerWaalsContact C-N 3.33Å; N45-W47 PolarHBondContact O-N 3.21Å; N45-T48 PolarHBondContact O-N 3.03Å; N45-Q49 VanDerWaalsContact O-CG 3.29Å; N45-Q49 WeakPolarHBondContact O-CG 3.45Å; N45-Q49 PolarHBondContact O-N 2.98Å
46	L	93.4	Very high	89.1	Confident	63 Å²	63	87.2 Å²	87.2	33%	0.33	47%	0.474	S	S	.	.	H	α-helix	trans	-60	-44.5	175.9	178	65.2	0	0	0	111.1	L42 L43 T48 Q49 L50 L83	L42-L46 WeakPolarHBondContact O-CB 3.34Å; L42-L46 PolarHBondContact O-N 3.1Å; L43-L46 PolarHBondContact O-N 3.2Å; L46-T48 VanDerWaalsContact C-N 3.34Å; L46-T48 PolarHBondContact O-N 3.18Å; L46-Q49 CarbonylContact O-C 3.47Å; L46-Q49 WeakPolarHBondContact O-CA 3.39Å; L46-Q49 WeakPolarHBondContact O-CB 3.35Å; L46-Q49 PolarHBondContact O-N 3.34Å; L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.47Å; L46-L83 HydrophobicContact CD2-CD1 4.44Å
47	W	92.3	Very high	90.7	Very high	84 Å²	84	81.1 Å²	81.1	32%	0.318	45%	0.446	S	S	.	.	H	α-helix	trans	-61.4	-41.1	-178.9	-171	-96	0	0	0	112.4	L43 S44 N45 Q49 L50 R79 L80 L83	L43-W47 VanDerWaalsContact O-CB 3.29Å; L43-W47 WeakPolarHBondContact O-CB 3.36Å; L43-W47 PolarHBondContact O-N 3.2Å; S44-W47 PolarHBondContact O-N 3.09Å; N45-W47 VanDerWaalsContact C-N 3.33Å; N45-W47 PolarHBondContact O-N 3.21Å; W47-Q49 VanDerWaalsContact C-N 3.32Å; W47-L50 HydrophobicContact CD2-CD1 4.34Å; W47-L50 HydrophobicContact CE3-CD1 3.75Å; W47-L50 HydrophobicContact CZ3-CD1 4.21Å; W47-L50 WeakPolarHBondContact O-CB 3.38Å; W47-L50 PolarHBondContact O-N 2.97Å; W47-R79 HydrophobicContact CH2-CB 4.06Å; W47-R79 HydrophobicContact CZ2-CB 3.77Å; W47-L80 HydrophobicContact CH2-CB 4.23Å; W47-L83 HydrophobicContact CE3-CD2 4.31Å; W47-L83 HydrophobicContact CZ3-CD2 3.85Å
48	T	91.9	Very high	91.8	Very high	88 Å²	88	79.1 Å²	79.1	54%	0.54	44%	0.44	S	S	.	.	H	α-helix	trans	-66.1	-34.8	171.4	-55.4	0	0	0	0	112	S44 N45 L46	S44-T48 PolarHBondContact O-N 3.21Å; S44-T48 VanDerWaalsContact O-N 3.07Å; S44-T48 PolarHBondContact O-OG1 2.97Å; N45-T48 PolarHBondContact O-N 3.03Å; L46-T48 VanDerWaalsContact C-N 3.34Å; L46-T48 PolarHBondContact O-N 3.18Å
49	Q	93.4	Very high	92.1	Very high	111 Å²	111	77.3 Å²	77.3	52%	0.519	43%	0.428	S	S	.	.	H	α-helix	trans	-69.1	-30.3	175.3	-72.2	174.7	-31	0	0	113	N45 L46 W47 D51 H52 I53	N45-Q49 VanDerWaalsContact O-CG 3.29Å; N45-Q49 WeakPolarHBondContact O-CG 3.45Å; N45-Q49 PolarHBondContact O-N 2.98Å; L46-Q49 CarbonylContact O-C 3.47Å; L46-Q49 WeakPolarHBondContact O-CA 3.39Å; L46-Q49 WeakPolarHBondContact O-CB 3.35Å; L46-Q49 PolarHBondContact O-N 3.34Å; W47-Q49 VanDerWaalsContact C-N 3.32Å; Q49-D51 PolarHBondContact O-N 2.96Å; Q49-D51 VanDerWaalsContact O-N 3.13Å; Q49-H52 PolarHBondContact O-N 3.36Å; Q49-I53 HydrophobicContact CB-CD1 4.04Å; Q49-I53 WeakPolarHBondContact O-CG1 3.01Å; Q49-I53 PolarHBondContact O-N 2.94Å; Q49-I53 VanDerWaalsContact O-N 3.1Å
50	L	92.9	Very high	92.3	Very high	0 Å²	0	82.6 Å²	82.6	0%	0	44%	0.437	C	S	.	.	H	α-helix	trans	-58.6	-26	178.9	-70.5	173.8	0	0	0	113.5	L46 W47 H52 R79 R82 L83 L86	L46-L50 WeakPolarHBondContact O-CG 3.42Å; L46-L50 PolarHBondContact O-N 3.47Å; W47-L50 HydrophobicContact CD2-CD1 4.34Å; W47-L50 HydrophobicContact CE3-CD1 3.75Å; W47-L50 HydrophobicContact CZ3-CD1 4.21Å; W47-L50 WeakPolarHBondContact O-CB 3.38Å; W47-L50 PolarHBondContact O-N 2.97Å; L50-H52 PolarHBondContact O-N 3.07Å; L50-R79 HydrophobicContact CB-CB 4.36Å; L50-R79 HydrophobicContact CB-CG 4.27Å; L50-R82 HydrophobicContact CD2-CB 4.29Å; L50-R82 WeakPolarHBondContact O-CD 3.44Å; L50-R82 PolarHBondContact O-NH1 2.92Å; L50-L83 HydrophobicContact CD1-CB 3.73Å; L50-L83 HydrophobicContact CD1-CD1 4.19Å; L50-L83 HydrophobicContact CD1-CG 4.39Å; L50-L86 HydrophobicContact CD2-CD1 3.45Å; L50-L86 VanDerWaalsContact CD2-CD1 3.45Å
51	D	89	Confident	92.5	Very high	62 Å²	62	84.9 Å²	84.9	33%	0.332	44%	0.439	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-24.2	174.4	-73.4	-37.5	0	0	0	112.3	Q49 R79 R82	Q49-D51 PolarHBondContact O-N 2.96Å; Q49-D51 VanDerWaalsContact O-N 3.13Å; D51-R79 WeakPolarHBondContact OD1-CD 3.48Å; D51-R79 WeakPolarHBondContact OD1-CG 3.34Å; D51-R79 IonicContact OD1-NE 3.7Å; D51-R79 IonicContact OD2-NH1 3.81Å; D51-R79 PolarHBondContact OD2-NH1 2.69Å; D51-R82 PolarHBondContact O-NH1 3.49Å
52	H	91.5	Very high	92.6	Very high	155 Å²	155	81.2 Å²	81.2	72%	0.718	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-110.9	-21.2	-175.1	-56.8	83.4	0	0	0	113.5	Q49 L50	Q49-H52 PolarHBondContact O-N 3.36Å; L50-H52 PolarHBondContact O-N 3.07Å
53	I	89	Confident	92.5	Very high	57 Å²	57	77.3 Å²	77.3	29%	0.292	40%	0.397	S	S	.	.			trans	-77.6	126	179.1	-62.8	165	0	0	0	109.7	Q49 R82 L86	Q49-I53 HydrophobicContact CB-CD1 4.04Å; Q49-I53 WeakPolarHBondContact O-CG1 3.01Å; Q49-I53 PolarHBondContact O-N 2.94Å; Q49-I53 VanDerWaalsContact O-N 3.1Å; I53-R82 WeakPolarHBondContact O-CD 3.43Å; I53-L86 HydrophobicContact CD1-CD1 4.41Å; I53-L86 HydrophobicContact CG2-CD1 3.96Å; I53-L86 HydrophobicContact CG2-CD2 4.04Å; I53-L86 HydrophobicContact CG2-CG 4.49Å
54	Q	89.6	Confident	92.6	Very high	140 Å²	140	74.7 Å²	74.7	65%	0.654	39%	0.389	S	S	*	.			trans	-94.7	109.7	170.5	-67.8	-64.9	-55.9	0	0	109.1
55	S	91.7	Very high	92.6	Very high	14 Å²	14	77.2 Å²	77.2	10%	0.098	40%	0.395	C	S	.	.			trans	-71.2	143.3	173.1	52.4	0	0	0	0	110.6	I57 S85	S55-I57 PolarHBondContact O-N 2.88Å; S55-I57 PolarHBondContact OG-O 3.22Å; S55-S85 VanDerWaalsContact CB-CB 3.48Å; S55-S85 VanDerWaalsContact OG-CB 3.27Å; S55-S85 WeakPolarHBondContact OG-CB 3.42Å
56	T	94.7	Very high	92.6	Very high	128 Å²	128	74.3 Å²	74.3	79%	0.785	38%	0.38	S	S	*	.	S	Bend	trans	-54.7	-31.2	171.8	-47.7	0	0	0	0	113.5
57	I	93.6	Very high	92.6	Very high	46 Å²	46	75.8 Å²	75.8	24%	0.236	39%	0.385	C	S	.	.	S	Bend	trans	-83.1	124.1	173.3	-62.1	170.5	0	0	0	107.6	S55 L61 S62 Q89	S55-I57 PolarHBondContact O-N 2.88Å; S55-I57 PolarHBondContact OG-O 3.22Å; I57-L61 HydrophobicContact CG2-CB 4.35Å; I57-L61 HydrophobicContact CG2-CD2 3.98Å; I57-L61 HydrophobicContact CG2-CG 4.28Å; I57-S62 WeakPolarHBondContact CG2-OG 3.15Å; I57-Q89 HydrophobicContact CD1-CG 4.06Å; I57-Q89 HydrophobicContact CG1-CG 4.3Å
58	P	93.5	Very high	92.7	Very high	82 Å²	82	76.3 Å²	76.3	53%	0.532	40%	0.401	S	S	.	.			trans	-66.7	143.5	179.8	-22.3	33.5	0	0	0	113.7	R60 L61 S62	P58-R60 PolarHBondContact O-N 3.38Å; P58-R60 VanDerWaalsContact O-N 3.12Å; P58-L61 WeakPolarHBondContact O-CB 3.31Å; P58-L61 PolarHBondContact O-N 2.91Å; P58-S62 PolarHBondContact O-N 3.29Å; P58-S62 PolarHBondContact O-OG 3.34Å
59	D	92	Very high	92.8	Very high	38 Å²	38	75.8 Å²	75.8	20%	0.203	41%	0.406	C	S	.	.	H	α-helix	trans	-52.1	-39.8	-178.7	-65	-15.1	0	0	0	112.7	L61 S62 I63 R82	D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.42Å; D59-S62 PolarHBondContact O-N 3.2Å; D59-I63 VanDerWaalsContact O-CG1 3.28Å; D59-I63 WeakPolarHBondContact O-CG1 3.22Å; D59-I63 PolarHBondContact O-N 2.61Å; D59-R82 VanDerWaalsContact OD1-CG 3.23Å; D59-R82 WeakPolarHBondContact OD1-CG 3.28Å; D59-R82 IonicContact OD1-NE 3.79Å; D59-R82 IonicContact OD2-CZ 2.69Å; D59-R82 IonicContact OD2-NE 3.42Å; D59-R82 PolarHBondContact OD2-NE 3.44Å; D59-R82 IonicContact OD2-NH2 3.33Å; D59-R82 PolarHBondContact OD2-NH2 3.33Å
60	R	93.3	Very high	92.8	Very high	179 Å²	179	73.4 Å²	73.4	68%	0.675	41%	0.411	S	S	*	.	H	α-helix	trans	-61.8	-37.9	179.6	-171.1	71.3	-154.1	-173.5	10.4	113.1	P58 A64	P58-R60 PolarHBondContact O-N 3.38Å; P58-R60 VanDerWaalsContact O-N 3.12Å; R60-A64 PolarHBondContact O-N 2.97Å; R60-A64 VanDerWaalsContact O-N 3.09Å
61	L	94.9	Very high	92.6	Very high	88 Å²	88	76.5 Å²	76.5	46%	0.461	43%	0.43	S	S	.	.	H	α-helix	trans	-68.2	-42.4	177.8	175.6	56.2	0	0	0	110.2	I57 P58 D59 A64 M65	I57-L61 HydrophobicContact CG2-CB 4.35Å; I57-L61 HydrophobicContact CG2-CD2 3.98Å; I57-L61 HydrophobicContact CG2-CG 4.28Å; P58-L61 WeakPolarHBondContact O-CB 3.31Å; P58-L61 PolarHBondContact O-N 2.91Å; D59-L61 VanDerWaalsContact C-N 3.33Å; D59-L61 PolarHBondContact O-N 3.42Å; L61-A64 PolarHBondContact O-N 3.23Å; L61-M65 HydrophobicContact CD1-CE 4.09Å; L61-M65 HydrophobicContact CD1-CG 4.32Å; L61-M65 WeakPolarHBondContact O-CG 3.45Å; L61-M65 PolarHBondContact O-N 3.07Å
62	S	93.6	Very high	92.5	Very high	8 Å²	8	81.4 Å²	81.4	6%	0.056	45%	0.451	C	S	.	.	H	α-helix	trans	-65.3	-40.7	-179.9	-52.9	0	0	0	0	111.7	I57 P58 D59 M65 L66 S85	I57-S62 WeakPolarHBondContact CG2-OG 3.15Å; P58-S62 PolarHBondContact O-N 3.29Å; P58-S62 PolarHBondContact O-OG 3.34Å; D59-S62 PolarHBondContact O-N 3.2Å; S62-M65 PolarHBondContact O-N 3.35Å; S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.33Å; S62-L66 PolarHBondContact O-N 2.72Å; S62-S85 WeakPolarHBondContact CB-OG 3.38Å; S62-S85 PolarHBondContact OG-OG 3.16Å
63	I	93.2	Very high	91.9	Very high	34 Å²	34	75.8 Å²	75.8	17%	0.174	43%	0.425	C	S	.	.	H	α-helix	trans	-60.9	-48.2	172.4	-66.6	163.1	0	0	0	110.8	D59 M65 L66 E67 M73 A81	D59-I63 VanDerWaalsContact O-CG1 3.28Å; D59-I63 WeakPolarHBondContact O-CG1 3.22Å; D59-I63 PolarHBondContact O-N 2.61Å; I63-M65 VanDerWaalsContact C-N 3.29Å; I63-M65 PolarHBondContact O-N 3Å; I63-L66 WeakPolarHBondContact O-CB 3.26Å; I63-L66 PolarHBondContact O-N 2.81Å; I63-L66 VanDerWaalsContact O-N 3.11Å; I63-E67 HydrophobicContact CG2-CG 4.17Å; I63-E67 VanDerWaalsContact CG2-OE1 3.31Å; I63-E67 WeakPolarHBondContact CG2-OE1 3.47Å; I63-E67 WeakPolarHBondContact O-CB 3.31Å; I63-E67 WeakPolarHBondContact O-CG 3.46Å; I63-E67 PolarHBondContact O-N 3.23Å; I63-M73 HydrophobicContact CG1-SD 3.83Å; I63-A81 HydrophobicContact CG1-CB 4.1Å
64	A	93.7	Very high	91.1	Very high	41 Å²	41	80.9 Å²	80.9	34%	0.339	45%	0.448	S	S	.	.	H	α-helix	trans	-61.2	-37.4	179.6	0	0	0	0	0	112.5	R60 L61 S68	R60-A64 PolarHBondContact O-N 2.97Å; R60-A64 VanDerWaalsContact O-N 3.09Å; L61-A64 PolarHBondContact O-N 3.23Å; A64-S68 WeakPolarHBondContact O-CB 3.29Å; A64-S68 PolarHBondContact O-N 3.45Å
65	M	94.4	Very high	90.1	Very high	117 Å²	117	80.2 Å²	80.2	58%	0.576	45%	0.449	S	S	*	.	H	α-helix	trans	-68	-39.9	174.4	-69.9	-64.5	-173.8	0	0	111.9	L61 S62 I63 S68 A69	L61-M65 HydrophobicContact CD1-CE 4.09Å; L61-M65 HydrophobicContact CD1-CG 4.32Å; L61-M65 WeakPolarHBondContact O-CG 3.45Å; L61-M65 PolarHBondContact O-N 3.07Å; S62-M65 PolarHBondContact O-N 3.35Å; I63-M65 VanDerWaalsContact C-N 3.29Å; I63-M65 PolarHBondContact O-N 3Å; M65-S68 WeakPolarHBondContact CA-OG 3.46Å; M65-S68 PolarHBondContact O-N 3.3Å; M65-S68 PolarHBondContact O-OG 3.23Å; M65-A69 PolarHBondContact O-N 2.93Å
66	L	92.7	Very high	89.2	Confident	25 Å²	25	84.6 Å²	84.6	13%	0.131	48%	0.479	C	S	.	.	H	α-helix	trans	-64.1	-45.6	174.5	-74.2	169.5	0	0	0	111.7	S62 I63 S68 A69 G70 V71 M73 L80 I84	S62-L66 WeakPolarHBondContact O-CB 3.35Å; S62-L66 VanDerWaalsContact O-CG 3.3Å; S62-L66 WeakPolarHBondContact O-CG 3.33Å; S62-L66 PolarHBondContact O-N 2.72Å; I63-L66 WeakPolarHBondContact O-CB 3.26Å; I63-L66 PolarHBondContact O-N 2.81Å; I63-L66 VanDerWaalsContact O-N 3.11Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 3.46Å; L66-A69 CarbonylContact O-C 3.3Å; L66-A69 WeakPolarHBondContact O-CA 3.35Å; L66-A69 WeakPolarHBondContact O-CB 3.4Å; L66-A69 PolarHBondContact O-N 2.9Å; L66-G70 PolarHBondContact O-N 3.18Å; L66-G70 VanDerWaalsContact O-N 3.15Å; L66-V71 CarbonylContact C-O 3.46Å; L66-V71 VanDerWaalsContact C-O 3.3Å; L66-V71 HydrophobicContact CB-CB 4.16Å; L66-V71 HydrophobicContact CD2-CB 4.28Å; L66-V71 HydrophobicContact CD2-CG1 4.36Å; L66-V71 WeakPolarHBondContact O-CB 3.34Å; L66-V71 PolarHBondContact O-N 3.5Å; L66-M73 HydrophobicContact CD1-CG 4.42Å; L66-M73 HydrophobicContact CD1-SD 3.62Å; L66-L80 HydrophobicContact CD1-CD2 4.46Å; L66-L80 HydrophobicContact CD1-CG 4.42Å; L66-I84 HydrophobicContact CD1-CG2 4.17Å; L66-I84 HydrophobicContact CG-CG2 4.5Å
67	E	94	Very high	88.8	Confident	95 Å²	95	81.7 Å²	81.7	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-60.1	-40.9	174.5	-71.8	171.2	173.9	0	0	111	I63 A69 G70 V71	I63-E67 HydrophobicContact CG2-CG 4.17Å; I63-E67 VanDerWaalsContact CG2-OE1 3.31Å; I63-E67 WeakPolarHBondContact CG2-OE1 3.47Å; I63-E67 WeakPolarHBondContact O-CB 3.31Å; I63-E67 WeakPolarHBondContact O-CG 3.46Å; I63-E67 PolarHBondContact O-N 3.23Å; E67-A69 PolarHBondContact O-N 3.47Å; E67-G70 WeakPolarHBondContact O-CA 3.45Å; E67-G70 PolarHBondContact O-N 3.47Å; E67-V71 PolarHBondContact N-O 2.84Å
68	S	94.7	Very high	88.6	Confident	94 Å²	94	81.3 Å²	81.3	66%	0.657	46%	0.46	S	S	*	.	H	α-helix	trans	-65.1	-27	175.2	79.9	0	0	0	0	113.3	A64 M65 L66 G70	A64-S68 WeakPolarHBondContact O-CB 3.29Å; A64-S68 PolarHBondContact O-N 3.45Å; M65-S68 WeakPolarHBondContact CA-OG 3.46Å; M65-S68 PolarHBondContact O-N 3.3Å; M65-S68 PolarHBondContact O-OG 3.23Å; L66-S68 VanDerWaalsContact C-N 3.3Å; L66-S68 PolarHBondContact O-N 3.46Å; S68-G70 VanDerWaalsContact C-N 3.3Å
69	A	94.4	Very high	88.5	Confident	77 Å²	77	80.3 Å²	80.3	64%	0.636	45%	0.445	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.1	-0.4	172.4	0	0	0	0	0	113.1	M65 L66 E67	M65-A69 PolarHBondContact O-N 2.93Å; L66-A69 CarbonylContact O-C 3.3Å; L66-A69 WeakPolarHBondContact O-CA 3.35Å; L66-A69 WeakPolarHBondContact O-CB 3.4Å; L66-A69 PolarHBondContact O-N 2.9Å; E67-A69 PolarHBondContact O-N 3.47Å
70	G	93	Very high	88.5	Confident	61 Å²	61	81.7 Å²	81.7	63%	0.629	45%	0.452	S	S	*	.	T	Hydrogen-bonded Turn	trans	87.2	9.2	-178.9	0	0	0	0	0	115.1	L66 E67 S68	L66-G70 PolarHBondContact O-N 3.18Å; L66-G70 VanDerWaalsContact O-N 3.15Å; E67-G70 WeakPolarHBondContact O-CA 3.45Å; E67-G70 PolarHBondContact O-N 3.47Å; S68-G70 VanDerWaalsContact C-N 3.3Å
71	V	89	Confident	88.4	Confident	65 Å²	65	73.1 Å²	73.1	39%	0.394	42%	0.42	S	S	.	.			trans	-94	108.5	178.2	-179	0	0	0	0	109.5	L66 E67	L66-V71 CarbonylContact C-O 3.46Å; L66-V71 VanDerWaalsContact C-O 3.3Å; L66-V71 HydrophobicContact CB-CB 4.16Å; L66-V71 HydrophobicContact CD2-CB 4.28Å; L66-V71 HydrophobicContact CD2-CG1 4.36Å; L66-V71 WeakPolarHBondContact O-CB 3.34Å; L66-V71 PolarHBondContact O-N 3.5Å; E67-V71 PolarHBondContact N-O 2.84Å
72	Q	85.6	Confident	88.4	Confident	166 Å²	166	70 Å²	70	78%	0.776	40%	0.402	S	S	*	.			trans	-90.7	128.5	176.5	-64.6	-175.8	98.9	0	0	110.5	E74	Q72-E74 PolarHBondContact O-N 3.07Å
73	M	79.9	Confident	88.3	Confident	37 Å²	37	72.2 Å²	72.2	18%	0.182	41%	0.413	C	S	.	.			trans	-93.9	85.9	176.8	-66.1	-170.3	60.6	0	0	110	I63 L66 N75 D77 L80 A81	I63-M73 HydrophobicContact CG1-SD 3.83Å; L66-M73 HydrophobicContact CD1-CG 4.42Å; L66-M73 HydrophobicContact CD1-SD 3.62Å; M73-N75 VanDerWaalsContact C-N 3.28Å; M73-N75 PolarHBondContact O-N 3.45Å; M73-D77 WeakPolarHBondContact CE-O 3.45Å; M73-L80 HydrophobicContact CE-CB 3.92Å; M73-L80 HydrophobicContact SD-CD2 4.49Å; M73-A81 HydrophobicContact CE-CB 4.37Å; M73-A81 HydrophobicContact SD-CB 4.28Å
74	E	71.2	Confident	88.4	Confident	163 Å²	163	74.6 Å²	74.6	76%	0.762	43%	0.425	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-33.8	-176.9	-172.2	60.7	-153.8	0	0	112.9	Q72	Q72-E74 PolarHBondContact O-N 3.07Å
75	N	69.5	Low	88.4	Confident	127 Å²	127	72.8 Å²	72.8	68%	0.679	41%	0.41	S	S	*	.	T	Hydrogen-bonded Turn	trans	-97.4	10.9	-169.1	-65.7	-21.1	0	0	0	114.9	M73 D77	M73-N75 VanDerWaalsContact C-N 3.28Å; M73-N75 PolarHBondContact O-N 3.45Å; N75-D77 PolarHBondContact O-N 3.44Å
76	S	72.8	Confident	88.4	Confident	105 Å²	105	69.5 Å²	69.5	73%	0.734	39%	0.394	S	S	*	.			trans	49.1	15	-176.9	-62.4	0	0	0	0	115.8	P78	S76-P78 VanDerWaalsContact O-CD 3.29Å; S76-P78 WeakPolarHBondContact O-CD 3.4Å
77	D	85.7	Confident	88.6	Confident	67 Å²	67	70.8 Å²	70.8	36%	0.358	41%	0.409	S	S	.	.			trans	-71.5	112.1	-177.5	-93.6	8.3	0	0	0	109.6	M73 N75 R79	M73-D77 WeakPolarHBondContact CE-O 3.45Å; N75-D77 PolarHBondContact O-N 3.44Å; D77-R79 PolarHBondContact O-N 3.21Å; D77-R79 IonicContact OD2-CZ 3.31Å; D77-R79 IonicContact OD2-NE 3.53Å; D77-R79 IonicContact OD2-NH2 3.4Å; D77-R79 PolarHBondContact OD2-NH2 3.19Å
78	P	89	Confident	88.7	Confident	39 Å²	39	67.6 Å²	67.6	25%	0.253	40%	0.401	S	S	.	.	H	α-helix	trans	-70.9	-9.3	-175.5	31	-36.5	0	0	0	112.6	S76 L80 A81 R82	S76-P78 VanDerWaalsContact O-CD 3.29Å; S76-P78 WeakPolarHBondContact O-CD 3.4Å; P78-L80 PolarHBondContact O-N 2.61Å; P78-A81 WeakPolarHBondContact O-CB 3.48Å; P78-A81 PolarHBondContact O-N 3.41Å; P78-R82 WeakPolarHBondContact O-CB 3.36Å; P78-R82 VanDerWaalsContact O-CG 3.29Å; P78-R82 WeakPolarHBondContact O-CG 3.49Å; P78-R82 PolarHBondContact O-N 3.35Å
79	R	91.7	Very high	88.7	Confident	60 Å²	60	64.8 Å²	64.8	23%	0.226	38%	0.377	C	S	.	.	H	α-helix	trans	-56.6	-50.2	-177	-69.5	-174.2	-77.7	-146.4	1.4	112.9	W47 L50 D51 D77 A81 R82 L83	W47-R79 HydrophobicContact CH2-CB 4.06Å; W47-R79 HydrophobicContact CZ2-CB 3.77Å; L50-R79 HydrophobicContact CB-CB 4.36Å; L50-R79 HydrophobicContact CB-CG 4.27Å; D51-R79 WeakPolarHBondContact OD1-CD 3.48Å; D51-R79 WeakPolarHBondContact OD1-CG 3.34Å; D51-R79 IonicContact OD1-NE 3.7Å; D51-R79 IonicContact OD2-NH1 3.81Å; D51-R79 PolarHBondContact OD2-NH1 2.69Å; D77-R79 PolarHBondContact O-N 3.21Å; D77-R79 IonicContact OD2-CZ 3.31Å; D77-R79 IonicContact OD2-NE 3.53Å; D77-R79 IonicContact OD2-NH2 3.4Å; D77-R79 PolarHBondContact OD2-NH2 3.19Å; R79-A81 VanDerWaalsContact C-N 3.31Å; R79-A81 PolarHBondContact O-N 3.45Å; R79-R82 PolarHBondContact O-N 3.49Å; R79-L83 WeakPolarHBondContact O-CB 3.43Å; R79-L83 PolarHBondContact O-N 3.4Å
80	L	91.5	Very high	88.7	Confident	67 Å²	67	67.5 Å²	67.5	35%	0.351	38%	0.375	S	S	.	.	H	α-helix	trans	-63	-42.4	179.3	-179	64.1	0	0	0	110.9	W47 L66 M73 P78 R82 L83 I84	W47-L80 HydrophobicContact CH2-CB 4.23Å; L66-L80 HydrophobicContact CD1-CD2 4.46Å; L66-L80 HydrophobicContact CD1-CG 4.42Å; M73-L80 HydrophobicContact CE-CB 3.92Å; M73-L80 HydrophobicContact SD-CD2 4.49Å; P78-L80 PolarHBondContact O-N 2.61Å; L80-R82 VanDerWaalsContact C-N 3.32Å; L80-R82 PolarHBondContact O-N 3.36Å; L80-L83 WeakPolarHBondContact O-CB 3.22Å; L80-L83 PolarHBondContact O-N 3.37Å; L80-I84 WeakPolarHBondContact O-CG2 3.48Å; L80-I84 PolarHBondContact O-N 3.29Å
81	A	92.3	Very high	88.9	Confident	0 Å²	0	69.6 Å²	69.6	0%	0	37%	0.367	C	S	.	.	H	α-helix	trans	-60.6	-40.5	176.6	0	0	0	0	0	111.7	I63 M73 P78 R79 I84 S85	I63-A81 HydrophobicContact CG1-CB 4.1Å; M73-A81 HydrophobicContact CE-CB 4.37Å; M73-A81 HydrophobicContact SD-CB 4.28Å; P78-A81 WeakPolarHBondContact O-CB 3.48Å; P78-A81 PolarHBondContact O-N 3.41Å; R79-A81 VanDerWaalsContact C-N 3.31Å; R79-A81 PolarHBondContact O-N 3.45Å; A81-I84 WeakPolarHBondContact O-CG2 3.47Å; A81-S85 WeakPolarHBondContact O-CB 3.49Å; A81-S85 PolarHBondContact O-N 3.24Å; A81-S85 VanDerWaalsContact O-N 3.08Å; A81-S85 PolarHBondContact O-OG 3.28Å
82	R	93.6	Very high	89.2	Confident	23 Å²	23	71.1 Å²	71.1	9%	0.087	37%	0.372	C	S	.	.	H	α-helix	trans	-71.7	-36.5	175.9	-70.5	170.9	-176.5	178.1	5.8	112.5	L50 D51 I53 D59 P78 R79 L80 S85 L86	L50-R82 HydrophobicContact CD2-CB 4.29Å; L50-R82 WeakPolarHBondContact O-CD 3.44Å; L50-R82 PolarHBondContact O-NH1 2.92Å; D51-R82 PolarHBondContact O-NH1 3.49Å; I53-R82 WeakPolarHBondContact O-CD 3.43Å; D59-R82 VanDerWaalsContact OD1-CG 3.23Å; D59-R82 WeakPolarHBondContact OD1-CG 3.28Å; D59-R82 IonicContact OD1-NE 3.79Å; D59-R82 IonicContact OD2-CZ 2.69Å; D59-R82 IonicContact OD2-NE 3.42Å; D59-R82 PolarHBondContact OD2-NE 3.44Å; D59-R82 IonicContact OD2-NH2 3.33Å; D59-R82 PolarHBondContact OD2-NH2 3.33Å; P78-R82 WeakPolarHBondContact O-CB 3.36Å; P78-R82 VanDerWaalsContact O-CG 3.29Å; P78-R82 WeakPolarHBondContact O-CG 3.49Å; P78-R82 PolarHBondContact O-N 3.35Å; R79-R82 PolarHBondContact O-N 3.49Å; L80-R82 VanDerWaalsContact C-N 3.32Å; L80-R82 PolarHBondContact O-N 3.36Å; R82-S85 WeakPolarHBondContact O-CB 3.27Å; R82-S85 PolarHBondContact O-N 3.38Å; R82-L86 WeakPolarHBondContact O-CB 3.49Å; R82-L86 WeakPolarHBondContact O-CG 3.29Å; R82-L86 PolarHBondContact O-N 2.74Å
83	L	92.7	Very high	89.7	Confident	53 Å²	53	67 Å²	67	28%	0.277	36%	0.358	S	S	.	.	H	α-helix	trans	-60.3	-51.6	175.4	-178.1	58.6	0	0	0	111.2	L46 W47 L50 R79 L80 S85 L86 A87	L46-L83 HydrophobicContact CD2-CD1 4.44Å; W47-L83 HydrophobicContact CE3-CD2 4.31Å; W47-L83 HydrophobicContact CZ3-CD2 3.85Å; L50-L83 HydrophobicContact CD1-CB 3.73Å; L50-L83 HydrophobicContact CD1-CD1 4.19Å; L50-L83 HydrophobicContact CD1-CG 4.39Å; R79-L83 WeakPolarHBondContact O-CB 3.43Å; R79-L83 PolarHBondContact O-N 3.4Å; L80-L83 WeakPolarHBondContact O-CB 3.22Å; L80-L83 PolarHBondContact O-N 3.37Å; L83-S85 VanDerWaalsContact C-N 3.26Å; L83-S85 PolarHBondContact O-N 2.94Å; L83-L86 PolarHBondContact O-N 3.49Å; L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 3.42Å
84	I	94.3	Very high	90.5	Very high	85 Å²	85	68 Å²	68	44%	0.436	37%	0.365	S	S	.	.	H	α-helix	trans	-63.6	-36.1	178.6	-171.2	62	0	0	0	111.3	L66 L80 A81 A87 G88	L66-I84 HydrophobicContact CD1-CG2 4.17Å; L66-I84 HydrophobicContact CG-CG2 4.5Å; L80-I84 WeakPolarHBondContact O-CG2 3.48Å; L80-I84 PolarHBondContact O-N 3.29Å; A81-I84 WeakPolarHBondContact O-CG2 3.47Å; I84-A87 PolarHBondContact O-N 3.47Å; I84-G88 PolarHBondContact O-N 3.45Å
85	S	94.4	Very high	91.7	Very high	2 Å²	2	60.8 Å²	60.8	1%	0.014	33%	0.331	C	S	.	.	H	α-helix	trans	-62.5	-46.9	175.7	-59.7	0	0	0	0	112.6	S55 S62 A81 R82 L83 G88 Q89	S55-S85 VanDerWaalsContact CB-CB 3.48Å; S55-S85 VanDerWaalsContact OG-CB 3.27Å; S55-S85 WeakPolarHBondContact OG-CB 3.42Å; S62-S85 WeakPolarHBondContact CB-OG 3.38Å; S62-S85 PolarHBondContact OG-OG 3.16Å; A81-S85 WeakPolarHBondContact O-CB 3.49Å; A81-S85 PolarHBondContact O-N 3.24Å; A81-S85 VanDerWaalsContact O-N 3.08Å; A81-S85 PolarHBondContact O-OG 3.28Å; R82-S85 WeakPolarHBondContact O-CB 3.27Å; R82-S85 PolarHBondContact O-N 3.38Å; L83-S85 VanDerWaalsContact C-N 3.26Å; L83-S85 PolarHBondContact O-N 2.94Å; S85-G88 PolarHBondContact O-N 2.95Å; S85-Q89 WeakPolarHBondContact O-CB 3.48Å; S85-Q89 VanDerWaalsContact O-CG 3.28Å; S85-Q89 WeakPolarHBondContact O-CG 3.49Å; S85-Q89 PolarHBondContact O-N 3.44Å
86	L	95.1	Very high	92.9	Very high	48 Å²	48	58.6 Å²	58.6	25%	0.251	32%	0.319	S	S	.	.	H	α-helix	trans	-65.8	-39.9	177.2	-72.9	171.8	0	0	0	111.5	L50 I53 R82 L83 Q89 K90	L50-L86 HydrophobicContact CD2-CD1 3.45Å; L50-L86 VanDerWaalsContact CD2-CD1 3.45Å; I53-L86 HydrophobicContact CD1-CD1 4.41Å; I53-L86 HydrophobicContact CG2-CD1 3.96Å; I53-L86 HydrophobicContact CG2-CD2 4.04Å; I53-L86 HydrophobicContact CG2-CG 4.49Å; R82-L86 WeakPolarHBondContact O-CB 3.49Å; R82-L86 WeakPolarHBondContact O-CG 3.29Å; R82-L86 PolarHBondContact O-N 2.74Å; L83-L86 PolarHBondContact O-N 3.49Å; L86-Q89 PolarHBondContact O-N 3.14Å; L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.93Å
87	A	95.1	Very high	93.9	Very high	53 Å²	53	56.7 Å²	56.7	44%	0.438	31%	0.306	S	S	.	.	H	α-helix	trans	-61.1	-45.4	174.7	0	0	0	0	0	111.4	L83 I84 K90 F91	L83-A87 WeakPolarHBondContact O-CB 3.47Å; L83-A87 PolarHBondContact O-N 3.42Å; I84-A87 PolarHBondContact O-N 3.47Å; A87-K90 PolarHBondContact O-N 2.98Å; A87-F91 WeakPolarHBondContact O-CB 3.46Å; A87-F91 PolarHBondContact O-N 3.2Å
88	G	96.3	Very high	94.3	Very high	27 Å²	27	56.1 Å²	56.1	28%	0.278	30%	0.303	S	S	.	.	H	α-helix	trans	-63.1	-39.7	175	0	0	0	0	0	113.2	I84 S85 F91 L92	I84-G88 PolarHBondContact O-N 3.45Å; S85-G88 PolarHBondContact O-N 2.95Å; G88-F91 PolarHBondContact O-N 3.05Å; G88-L92 WeakPolarHBondContact O-CG 3.39Å; G88-L92 PolarHBondContact O-N 3.44Å
89	Q	96.1	Very high	94.6	Very high	35 Å²	35	54.3 Å²	54.3	16%	0.164	29%	0.291	C	S	.	.	H	α-helix	trans	-64.6	-44.9	175.5	-77.3	163.8	18.5	0	0	112.6	I57 S85 L86 F91 L92 T93	I57-Q89 HydrophobicContact CD1-CG 4.06Å; I57-Q89 HydrophobicContact CG1-CG 4.3Å; S85-Q89 WeakPolarHBondContact O-CB 3.48Å; S85-Q89 VanDerWaalsContact O-CG 3.28Å; S85-Q89 WeakPolarHBondContact O-CG 3.49Å; S85-Q89 PolarHBondContact O-N 3.44Å; L86-Q89 PolarHBondContact O-N 3.14Å; Q89-F91 VanDerWaalsContact C-N 3.33Å; Q89-L92 PolarHBondContact O-N 2.89Å; Q89-T93 WeakPolarHBondContact O-CB 2.93Å; Q89-T93 PolarHBondContact O-N 3.44Å; Q89-T93 PolarHBondContact O-OG1 2.88Å
90	K	94.7	Very high	94.6	Very high	135 Å²	135	56.5 Å²	56.5	59%	0.587	31%	0.305	S	S	*	.	H	α-helix	trans	-58.6	-48.5	174.1	-177.3	-168.2	169.8	68.1	0	110	L86 A87 L92 T93 D94	L86-K90 WeakPolarHBondContact O-CB 3.3Å; L86-K90 PolarHBondContact O-N 2.93Å; A87-K90 PolarHBondContact O-N 2.98Å; K90-L92 PolarHBondContact O-N 3.23Å; K90-T93 WeakPolarHBondContact O-CB 3.12Å; K90-T93 PolarHBondContact O-N 3.45Å; K90-T93 VanDerWaalsContact O-N 3.14Å; K90-D94 VanDerWaalsContact O-CG 3.25Å; K90-D94 PolarHBondContact O-N 3.13Å
91	F	95.7	Very high	94.7	Very high	104 Å²	104	57.3 Å²	57.3	46%	0.456	31%	0.309	S	S	.	.	H	α-helix	trans	-58	-47.2	-179.7	179.2	-106.3	0	0	0	112.8	A87 G88 Q89 D94 I95	A87-F91 WeakPolarHBondContact O-CB 3.46Å; A87-F91 PolarHBondContact O-N 3.2Å; G88-F91 PolarHBondContact O-N 3.05Å; Q89-F91 VanDerWaalsContact C-N 3.33Å; F91-D94 PolarHBondContact O-N 3.45Å; F91-I95 HydrophobicContact CD1-CD1 3.95Å; F91-I95 HydrophobicContact CE1-CD1 3.41Å; F91-I95 VanDerWaalsContact CE1-CD1 3.41Å; F91-I95 HydrophobicContact CE2-CD1 4.16Å; F91-I95 HydrophobicContact CZ-CD1 3.55Å; F91-I95 HydrophobicContact CZ-CG1 4.5Å; F91-I95 PolarHBondContact O-N 2.89Å
92	L	95.9	Very high	94.6	Very high	97 Å²	97	59.8 Å²	59.8	51%	0.508	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-39.9	175.7	-73	174.9	0	0	0	112.1	G88 Q89 K90 D94 I95 L96	G88-L92 WeakPolarHBondContact O-CG 3.39Å; G88-L92 PolarHBondContact O-N 3.44Å; Q89-L92 PolarHBondContact O-N 2.89Å; K90-L92 PolarHBondContact O-N 3.23Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 3.13Å; L92-I95 PolarHBondContact O-N 3.32Å; L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.23Å; L92-L96 PolarHBondContact O-N 3.37Å
93	T	96.2	Very high	94.5	Very high	79 Å²	79	60 Å²	60	49%	0.485	32%	0.322	S	S	.	.	H	α-helix	trans	-61.6	-41	177.7	-58.8	0	0	0	0	111.3	Q89 K90 L96 S97	Q89-T93 WeakPolarHBondContact O-CB 2.93Å; Q89-T93 PolarHBondContact O-N 3.44Å; Q89-T93 PolarHBondContact O-OG1 2.88Å; K90-T93 WeakPolarHBondContact O-CB 3.12Å; K90-T93 PolarHBondContact O-N 3.45Å; K90-T93 VanDerWaalsContact O-N 3.14Å; T93-L96 PolarHBondContact O-N 2.94Å; T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 2.91Å; T93-S97 PolarHBondContact O-OG 2.8Å
94	D	96.1	Very high	94.3	Very high	58 Å²	58	62.2 Å²	62.2	31%	0.31	33%	0.326	S	S	.	.	H	α-helix	trans	-64.8	-45.5	178.6	-64.8	-13.8	0	0	0	110.6	K90 F91 L92 L96 S97 D98 R182	K90-D94 VanDerWaalsContact O-CG 3.25Å; K90-D94 PolarHBondContact O-N 3.13Å; F91-D94 PolarHBondContact O-N 3.45Å; L92-D94 VanDerWaalsContact C-N 3.31Å; L92-D94 PolarHBondContact O-N 3.13Å; D94-L96 PolarHBondContact O-N 3.1Å; D94-S97 PolarHBondContact O-N 2.91Å; D94-D98 PolarHBondContact O-N 2.88Å; D94-R182 PolarHBondContact O-NH2 2.96Å
95	I	96.1	Very high	94	Very high	12 Å²	12	62.9 Å²	62.9	6%	0.062	33%	0.33	C	S	.	.	H	α-helix	trans	-61.6	-45.5	176.3	-66.4	168.3	0	0	0	111.7	F91 L92 S97 D98 A99 L175 L179	F91-I95 HydrophobicContact CD1-CD1 3.95Å; F91-I95 HydrophobicContact CE1-CD1 3.41Å; F91-I95 VanDerWaalsContact CE1-CD1 3.41Å; F91-I95 HydrophobicContact CE2-CD1 4.16Å; F91-I95 HydrophobicContact CZ-CD1 3.55Å; F91-I95 HydrophobicContact CZ-CG1 4.5Å; F91-I95 PolarHBondContact O-N 2.89Å; L92-I95 PolarHBondContact O-N 3.32Å; I95-S97 VanDerWaalsContact C-N 3.3Å; I95-S97 PolarHBondContact O-N 2.97Å; I95-D98 PolarHBondContact O-N 3.18Å; I95-A99 PolarHBondContact O-N 3.05Å; I95-L175 HydrophobicContact CG2-CD1 4.16Å; I95-L179 HydrophobicContact CD1-CD2 4.22Å; I95-L179 HydrophobicContact CG2-CD2 4.04Å
96	L	95.4	Very high	93.6	Very high	82 Å²	82	66.3 Å²	66.3	43%	0.429	36%	0.359	S	S	.	.	H	α-helix	trans	-68.4	-31.8	-178.1	-70.5	174.7	0	0	0	112.1	L92 T93 D94 A99 M100 L170	L92-L96 WeakPolarHBondContact O-CB 3.29Å; L92-L96 VanDerWaalsContact O-CG 3.26Å; L92-L96 WeakPolarHBondContact O-CG 3.23Å; L92-L96 PolarHBondContact O-N 3.37Å; T93-L96 PolarHBondContact O-N 2.94Å; D94-L96 PolarHBondContact O-N 3.1Å; L96-A99 PolarHBondContact O-N 3.34Å; L96-M100 WeakPolarHBondContact O-CB 3.48Å; L96-M100 PolarHBondContact O-N 3.41Å; L96-L170 HydrophobicContact CD2-CD2 3.98Å
97	S	94.9	Very high	93.1	Very high	64 Å²	64	67.1 Å²	67.1	45%	0.448	36%	0.363	S	S	.	.	H	α-helix	trans	-65	-44.1	174.8	-60.7	0	0	0	0	111.1	T93 D94 I95 M100 L101	T93-S97 WeakPolarHBondContact O-CB 3.43Å; T93-S97 PolarHBondContact O-N 2.91Å; T93-S97 PolarHBondContact O-OG 2.8Å; D94-S97 PolarHBondContact O-N 2.91Å; I95-S97 VanDerWaalsContact C-N 3.3Å; I95-S97 PolarHBondContact O-N 2.97Å; S97-M100 PolarHBondContact O-N 3.23Å; S97-L101 PolarHBondContact O-N 2.84Å
98	D	94.2	Very high	92.3	Very high	56 Å²	56	67.5 Å²	67.5	30%	0.299	37%	0.372	S	S	.	.	H	α-helix	trans	-63.4	-45.1	174.5	-62.8	-22.1	0	0	0	110.9	D94 I95 M100 L101 H102 R182	D94-D98 PolarHBondContact O-N 2.88Å; I95-D98 PolarHBondContact O-N 3.18Å; D98-M100 VanDerWaalsContact C-N 3.27Å; D98-M100 PolarHBondContact O-N 3.15Å; D98-L101 WeakPolarHBondContact O-CA 3.44Å; D98-L101 VanDerWaalsContact O-CB 3.27Å; D98-L101 WeakPolarHBondContact O-CB 3.46Å; D98-L101 PolarHBondContact O-N 2.88Å; D98-H102 PolarHBondContact O-CD2 3.36Å; D98-H102 VanDerWaalsContact O-CD2 3.23Å; D98-H102 PolarHBondContact O-N 3.05Å; D98-R182 IonicContact OD2-CZ 3.67Å; D98-R182 IonicContact OD2-NE 2.81Å; D98-R182 PolarHBondContact OD2-NE 2.94Å; D98-R182 IonicContact OD2-NH2 3.66Å; D98-R182 PolarHBondContact OD2-NH2 3.15Å
99	A	94.4	Very high	91.1	Very high	0 Å²	0	69.8 Å²	69.8	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-61.9	-36.5	177.9	0	0	0	0	0	112.3	I95 L96 L101 H102 W103 L170 S178	I95-A99 PolarHBondContact O-N 3.05Å; L96-A99 PolarHBondContact O-N 3.34Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 3.41Å; A99-H102 PolarHBondContact O-N 2.86Å; A99-W103 WeakPolarHBondContact O-CB 3.34Å; A99-W103 PolarHBondContact O-N 3.17Å; A99-L170 HydrophobicContact CB-CD1 3.84Å; A99-S178 WeakPolarHBondContact CA-OG 3.45Å; A99-S178 WeakPolarHBondContact CB-OG 3.34Å; A99-S178 PolarHBondContact N-OG 3.11Å
100	M	92.2	Very high	89.6	Confident	107 Å²	107	72.1 Å²	72.1	53%	0.527	39%	0.394	S	S	.	.	H	α-helix	trans	-65.7	-35.7	173.5	-169	-178.3	-54	0	0	111.9	L96 S97 D98 R104	L96-M100 WeakPolarHBondContact O-CB 3.48Å; L96-M100 PolarHBondContact O-N 3.41Å; S97-M100 PolarHBondContact O-N 3.23Å; D98-M100 VanDerWaalsContact C-N 3.27Å; D98-M100 PolarHBondContact O-N 3.15Å; M100-R104 WeakPolarHBondContact O-CB 3.47Å; M100-R104 VanDerWaalsContact O-CG 3.25Å; M100-R104 WeakPolarHBondContact O-CG 3.4Å; M100-R104 PolarHBondContact O-N 2.8Å
101	L	92	Very high	88.1	Confident	83 Å²	83	68.4 Å²	68.4	44%	0.435	38%	0.382	S	S	.	.	H	α-helix	trans	-64.8	-46.4	173.8	-177.8	65.4	0	0	0	111.1	S97 D98 A99 W103 R104 L105 T111	S97-L101 PolarHBondContact O-N 2.84Å; D98-L101 WeakPolarHBondContact O-CA 3.44Å; D98-L101 VanDerWaalsContact O-CB 3.27Å; D98-L101 WeakPolarHBondContact O-CB 3.46Å; D98-L101 PolarHBondContact O-N 2.88Å; A99-L101 VanDerWaalsContact C-N 3.31Å; A99-L101 PolarHBondContact O-N 3.41Å; L101-W103 PolarHBondContact O-N 3.37Å; L101-R104 PolarHBondContact O-N 3.32Å; L101-L105 HydrophobicContact CG-CD1 4.19Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.44Å; L101-T111 HydrophobicContact CD1-CG2 3.68Å
102	H	91.8	Very high	86.4	Confident	52 Å²	52	67.1 Å²	67.1	24%	0.241	40%	0.399	C	S	.	.	H	α-helix	trans	-58.6	-46.4	174.6	-77.3	-79.8	0	0	0	111.9	D98 A99 R104 L105 A106 D174 S178 D181	D98-H102 PolarHBondContact O-CD2 3.36Å; D98-H102 VanDerWaalsContact O-CD2 3.23Å; D98-H102 PolarHBondContact O-N 3.05Å; A99-H102 PolarHBondContact O-N 2.86Å; H102-R104 VanDerWaalsContact C-N 3.3Å; H102-R104 PolarHBondContact O-N 3.01Å; H102-L105 PolarHBondContact O-N 3.39Å; H102-A106 WeakPolarHBondContact O-CB 3.1Å; H102-A106 PolarHBondContact O-N 3.48Å; H102-D174 HydrophobicContact CB-CB 3.96Å; H102-S178 PolarHBondContact CD2-OG 3.32Å; H102-S178 VanDerWaalsContact CD2-OG 3.23Å; H102-D181 IonicContact NE2-OD2 3.27Å
103	W	90.5	Very high	84.9	Confident	29 Å²	29	70.1 Å²	70.1	11%	0.11	42%	0.415	C	S	.	.	H	α-helix	trans	-58.5	-42.1	176	178.8	82.4	0	0	0	111.8	A99 L101 N107 R167 A168 T169 D174	A99-W103 WeakPolarHBondContact O-CB 3.34Å; A99-W103 PolarHBondContact O-N 3.17Å; L101-W103 PolarHBondContact O-N 3.37Å; W103-N107 HydrophobicContact CZ2-CB 4.41Å; W103-N107 PolarHBondContact NE1-ND2 3.41Å; W103-N107 WeakPolarHBondContact O-CB 2.86Å; W103-N107 PolarHBondContact O-N 3.07Å; W103-N107 PolarHBondContact O-ND2 2.95Å; W103-R167 WeakPolarHBondContact CZ2-O 3.28Å; W103-A168 HydrophobicContact CD2-CB 4.41Å; W103-A168 HydrophobicContact CE3-CB 4.09Å; W103-A168 VanDerWaalsContact CH2-CA 3.47Å; W103-A168 HydrophobicContact CH2-CB 3.88Å; W103-A168 HydrophobicContact CZ2-CB 4.21Å; W103-A168 HydrophobicContact CZ3-CB 3.8Å; W103-T169 PolarHBondContact NE1-O 3.34Å; W103-D174 VanDerWaalsContact CA-CG 3.48Å; W103-D174 WeakPolarHBondContact CA-OD1 3.35Å; W103-D174 HydrophobicContact CB-CB 4.31Å; W103-D174 WeakPolarHBondContact CB-OD2 3.11Å; W103-D174 VanDerWaalsContact CD1-OD2 3.28Å; W103-D174 PolarHBondContact N-OD1 3.46Å
104	R	89.6	Confident	83.1	Confident	99 Å²	99	74.6 Å²	74.6	37%	0.374	44%	0.435	S	S	.	.	H	α-helix	trans	-65.9	-42.6	178.2	-75.8	175.4	71.9	156.1	2.8	112.2	M100 L101 H102 N107 G108 Q109	M100-R104 WeakPolarHBondContact O-CB 3.47Å; M100-R104 VanDerWaalsContact O-CG 3.25Å; M100-R104 WeakPolarHBondContact O-CG 3.4Å; M100-R104 PolarHBondContact O-N 2.8Å; L101-R104 PolarHBondContact O-N 3.32Å; H102-R104 VanDerWaalsContact C-N 3.3Å; H102-R104 PolarHBondContact O-N 3.01Å; R104-N107 PolarHBondContact O-N 3.35Å; R104-G108 PolarHBondContact O-N 3.03Å; R104-Q109 HydrophobicContact CB-CB 4.03Å; R104-Q109 HydrophobicContact CG-CB 4.24Å; R104-Q109 PolarHBondContact O-N 3.31Å
105	L	87.9	Confident	81	Confident	98 Å²	98	78 Å²	78	51%	0.513	45%	0.453	S	S	.	.	H	α-helix	trans	-65.4	-44.4	178	-70	172	0	0	0	111.3	L101 H102 N107 G108 T111	L101-L105 HydrophobicContact CG-CD1 4.19Å; L101-L105 WeakPolarHBondContact O-CG 3.34Å; L101-L105 PolarHBondContact O-N 3.44Å; H102-L105 PolarHBondContact O-N 3.39Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 2.88Å; L105-G108 PolarHBondContact O-N 3.38Å; L105-T111 HydrophobicContact CD2-CG2 3.77Å; L105-T111 HydrophobicContact CG-CG2 4.26Å
106	A	85.9	Confident	78.6	Confident	75 Å²	75	85.8 Å²	85.8	62%	0.62	49%	0.488	S	S	*	.	H	α-helix	trans	-64.9	-33.5	177.5	0	0	0	0	0	112.9	H102	H102-A106 WeakPolarHBondContact O-CB 3.1Å; H102-A106 PolarHBondContact O-N 3.48Å
107	N	85.1	Confident	76.4	Confident	64 Å²	64	86.8 Å²	86.8	34%	0.342	50%	0.502	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.5	12.4	-179.5	-68.5	-70.2	0	0	0	114.4	W103 R104 L105 Q109 R166	W103-N107 HydrophobicContact CZ2-CB 4.41Å; W103-N107 PolarHBondContact NE1-ND2 3.41Å; W103-N107 WeakPolarHBondContact O-CB 2.86Å; W103-N107 PolarHBondContact O-N 3.07Å; W103-N107 PolarHBondContact O-ND2 2.95Å; R104-N107 PolarHBondContact O-N 3.35Å; L105-N107 VanDerWaalsContact C-N 3.32Å; L105-N107 PolarHBondContact O-N 2.88Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 3Å; N107-R166 PolarHBondContact O-NH1 3.42Å
108	G	76.7	Confident	74.1	Confident	61 Å²	61	87.9 Å²	87.9	63%	0.629	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	63.6	28	174.5	0	0	0	0	0	114.3	R104 L105	R104-G108 PolarHBondContact O-N 3.03Å; L105-G108 PolarHBondContact O-N 3.38Å
109	Q	71.7	Confident	72	Confident	76 Å²	76	90.9 Å²	90.9	36%	0.355	53%	0.53	S	S	.	.			trans	-76.7	129.4	171.7	-83.3	-73.4	-10.6	0	0	109.2	R104 N107 T111	R104-Q109 HydrophobicContact CB-CB 4.03Å; R104-Q109 HydrophobicContact CG-CB 4.24Å; R104-Q109 PolarHBondContact O-N 3.31Å; N107-Q109 VanDerWaalsContact C-N 3.27Å; N107-Q109 PolarHBondContact O-N 3Å; Q109-T111 PolarHBondContact O-N 2.91Å
110	P	64.3	Low	69.6	Low	83 Å²	83	95.6 Å²	95.6	54%	0.539	56%	0.563	S	S	.	*			trans	-62.1	114.5	179.3	24.1	-32.8	0	0	0	110.3	G112	P110-G112 PolarHBondContact O-N 3.38Å; P110-G112 VanDerWaalsContact O-N 3.1Å
111	T	63.6	Low	67.6	Low	57 Å²	57	95.7 Å²	95.7	35%	0.35	57%	0.57	S	S	.	*			trans	-81.7	65.5	169.4	40.8	0	0	0	0	109.5	L101 L105 Q109 L113	L101-T111 HydrophobicContact CD1-CG2 3.68Å; L105-T111 HydrophobicContact CD2-CG2 3.77Å; L105-T111 HydrophobicContact CG-CG2 4.26Å; Q109-T111 PolarHBondContact O-N 2.91Å; T111-L113 PolarHBondContact O-N 2.77Å
112	G	60.8	Low	65.5	Low	78 Å²	78	96.9 Å²	96.9	80%	0.804	59%	0.585	S	S	*	*	S	Bend	trans	55.9	-9.9	156.9	0	0	0	0	0	121.7	P110	P110-G112 PolarHBondContact O-N 3.38Å; P110-G112 VanDerWaalsContact O-N 3.1Å
113	L	62.7	Low	63.2	Low	160 Å²	160	101.7 Å²	101.7	84%	0.838	61%	0.611	S	S	*	*	S	Bend	trans	-116.8	-9.3	-164.4	-91.8	152.7	0	0	0	115.2	T111	T111-L113 PolarHBondContact O-N 2.77Å
114	L	59.9	Low	60.8	Low	173 Å²	173	106.3 Å²	106.3	91%	0.906	65%	0.645	S	S	*	*	S	Bend	trans	-136.9	12.2	-176	-66.8	173.2	0	0	0	115.2
115	N	51.5	Low	58.7	Low	129 Å²	129	104.8 Å²	104.8	69%	0.69	66%	0.66	S	S	*	*	S	Bend	trans	-103.9	111.7	168.4	-165.5	56.4	0	0	0	107.8	S117	N115-S117 PolarHBondContact O-N 2.94Å
116	H	44.9	Very low	56.9	Low	175 Å²	175	109.3 Å²	109.3	81%	0.81	68%	0.679	S	S	*	*			trans	-53	93	167.7	-74.1	-103.8	0	0	0	108.5	S118	H116-S118 PolarHBondContact O-N 2.85Å
117	S	48.8	Very low	54.9	Low	103 Å²	103	110 Å²	110	72%	0.72	68%	0.684	S	S	*	*			trans	-71.6	79.9	158.4	-161	0	0	0	0	105	N115 V119	N115-S117 PolarHBondContact O-N 2.94Å; S117-V119 PolarHBondContact O-N 3.25Å
118	S	48.1	Very low	53.1	Low	88 Å²	88	112.8 Å²	112.8	62%	0.615	71%	0.708	S	S	*	*			trans	-58	93.4	157.8	42.3	0	0	0	0	105.5	H116 S120	H116-S118 PolarHBondContact O-N 2.85Å; S118-S120 PolarHBondContact O-N 3.31Å
119	V	49.2	Very low	51.6	Low	118 Å²	118	117 Å²	117	72%	0.715	72%	0.717	S	S	*	*			trans	-61.3	81.8	152.7	171.3	0	0	0	0	105.2	S117 T121	S117-V119 PolarHBondContact O-N 3.25Å; V119-T121 VanDerWaalsContact C-N 3.27Å; V119-T121 WeakPolarHBondContact CG1-OG1 3.47Å; V119-T121 PolarHBondContact O-N 3.23Å
120	S	43.9	Very low	50.7	Low	99 Å²	99	117.9 Å²	117.9	69%	0.692	73%	0.729	S	S	*	*			trans	-82.4	84.6	162.3	-62.1	0	0	0	0	105.3	S118 S122	S118-S120 PolarHBondContact O-N 3.31Å; S120-S122 PolarHBondContact O-N 2.83Å; S120-S122 VanDerWaalsContact O-N 3.11Å
121	T	51.1	Low	49.3	Very low	110 Å²	110	118.9 Å²	118.9	68%	0.675	74%	0.738	S	S	*	*			trans	-67.1	104.3	163.1	-52.6	0	0	0	0	106.4	V119 I123	V119-T121 VanDerWaalsContact C-N 3.27Å; V119-T121 WeakPolarHBondContact CG1-OG1 3.47Å; V119-T121 PolarHBondContact O-N 3.23Å; T121-I123 PolarHBondContact O-N 3.44Å; T121-I123 VanDerWaalsContact O-N 3.07Å
122	S	48	Very low	48.7	Very low	108 Å²	108	126.6 Å²	126.6	76%	0.755	76%	0.762	S	S	*	*			trans	-66	103.9	174	50.9	0	0	0	0	109.6	S120	S120-S122 PolarHBondContact O-N 2.83Å; S120-S122 VanDerWaalsContact O-N 3.11Å
123	I	44	Very low	48.3	Very low	152 Å²	152	131.7 Å²	131.7	78%	0.779	77%	0.767	S	S	*	*			trans	-89.5	118.5	160	-57.6	174.3	0	0	0	106.5	T121	T121-I123 PolarHBondContact O-N 3.44Å; T121-I123 VanDerWaalsContact O-N 3.07Å
124	P	38.6	Very low	47.6	Very low	126 Å²	126	131.7 Å²	131.7	82%	0.818	77%	0.768	S	S	*	*			trans	-91.9	118.3	172.1	21.6	-8.2	0	0	0	110.5
125	G	46.4	Very low	47	Very low	67 Å²	67	126.7 Å²	126.7	69%	0.691	75%	0.752	S	S	*	*			trans	132.4	103.6	159	0	0	0	0	0	116.8
126	Q	49.8	Very low	46.7	Very low	194 Å²	194	126.5 Å²	126.5	91%	0.907	76%	0.755	S	S	*	*			trans	155	102.6	144.9	-95	178.2	12.5	0	0	107.4
127	A	44.1	Very low	46.9	Very low	89 Å²	89	124.8 Å²	124.8	74%	0.736	76%	0.758	S	S	*	*				81.5	132.8	78	0	0	0	0	0	113.6
128	S	47.3	Very low	46.8	Very low	122 Å²	122	126.2 Å²	126.2	85%	0.853	76%	0.762	S	S	*	*			trans	80	105.9	163.9	38.3	0	0	0	0	121.3
129	N	45.4	Very low	46.8	Very low	151 Å²	151	127.6 Å²	127.6	81%	0.807	77%	0.769	S	S	*	*			trans	-29.8	170.1	142	-98.9	-1.1	0	0	0	115.8
130	P	52	Low	46.5	Very low	94 Å²	94	127.1 Å²	127.1	61%	0.61	78%	0.778	S	S	*	*			cis	-145.5	177.1	23.1	29.1	-3	0	0	0	117.4	Y132	P130-Y132 HydrophobicContact CG-CE2 4.31Å
131	S	36.1	Very low	46.7	Very low	104 Å²	104	127.4 Å²	127.4	73%	0.727	78%	0.779	S	S	*	*			trans	-63.8	144.4	172	-36.7	0	0	0	0	115.3
132	Y	50.2	Low	46.7	Very low	219 Å²	219	129.8 Å²	129.8	86%	0.859	79%	0.788	S	S	*	*			trans	-145.1	143.7	155.4	-70.5	-76.7	0	0	0	111.6	P130	P130-Y132 HydrophobicContact CG-CE2 4.31Å
133	M	52.1	Low	46.8	Very low	184 Å²	184	130.3 Å²	130.3	91%	0.906	79%	0.789	S	S	*	*			trans	-76.9	159.7	-172.8	-63.4	-178.9	164.7	0	0	115.4
134	N	47.7	Very low	46.9	Very low	161 Å²	161	128.4 Å²	128.4	86%	0.861	79%	0.789	S	S	*	*			trans	153.3	152.4	133.9	-106.1	-9.7	0	0	0	109.6
135	A	48.4	Very low	47.7	Very low	68 Å²	68	131.1 Å²	131.1	56%	0.562	79%	0.79	S	S	*	*			cis	-171.4	131.3	-5.3	0	0	0	0	0	105.3
136	T	43.9	Very low	47.6	Very low	124 Å²	124	133.8 Å²	133.8	76%	0.761	80%	0.799	S	S	*	*				76.3	109.5	113.8	-50.1	0	0	0	0	117
137	T	49.2	Very low	47.5	Very low	140 Å²	140	132.2 Å²	132.2	86%	0.859	80%	0.795	S	S	*	*				-177.3	123.3	120.3	42.2	0	0	0	0	112.2
138	T	48.4	Very low	47.7	Very low	132 Å²	132	132.9 Å²	132.9	81%	0.81	79%	0.792	S	S	*	*			trans	-72.3	-167.4	172.4	44.1	0	0	0	0	113.9
139	P	46.8	Very low	47.7	Very low	118 Å²	118	136 Å²	136	77%	0.766	79%	0.793	S	S	*	*			cis	-137.1	167.4	-42.9	32.4	-14	0	0	0	113.3
140	A	42.1	Very low	47.9	Very low	108 Å²	108	134.3 Å²	134.3	89%	0.893	79%	0.793	S	S	*	*			trans	-174.4	146.1	143.9	0	0	0	0	0	113.2
141	S	49.7	Very low	47.8	Very low	104 Å²	104	135.3 Å²	135.3	73%	0.727	80%	0.799	S	S	*	*			trans	-73	141.6	-168.7	48.5	0	0	0	0	117.7
142	N	50.5	Low	48.1	Very low	161 Å²	161	135.4 Å²	135.4	86%	0.861	80%	0.8	S	S	*	*				176	130	127.1	-103.5	-7.6	0	0	0	111.9
143	P	49.1	Very low	48	Very low	118 Å²	118	130.8 Å²	130.8	77%	0.766	80%	0.8	S	S	*	*			trans	-113.5	127	162.3	34.2	-21.1	0	0	0	110.9
144	S	47.5	Very low	47.8	Very low	112 Å²	112	127.6 Å²	127.6	78%	0.783	80%	0.796	S	S	*	*			trans	-168.1	115.9	156.4	-83.2	0	0	0	0	112.3
145	Q	54.1	Low	47.7	Very low	183 Å²	183	123.1 Å²	123.1	86%	0.855	79%	0.788	S	S	*	*			trans	54.6	104.2	138.1	-56.8	-177.1	33.2	0	0	120.2
146	S	44.6	Very low	48.2	Very low	123 Å²	123	129.1 Å²	129.1	86%	0.86	80%	0.801	S	S	*	*				178.2	130.1	118	55.1	0	0	0	0	110.9
147	I	47.9	Very low	48.5	Very low	162 Å²	162	129.2 Å²	129.2	83%	0.831	80%	0.803	S	S	*	*			trans	-92.6	-177.6	-178.5	-37	176.3	0	0	0	108.7
148	P	48.3	Very low	48.4	Very low	103 Å²	103	125.3 Å²	125.3	67%	0.669	79%	0.791	S	S	*	*				-123	166.7	-93.6	38.7	-22.6	0	0	0	114.2
149	Q	47.6	Very low	48.9	Very low	187 Å²	187	124.8 Å²	124.8	87%	0.874	79%	0.788	S	S	*	*			trans	175.2	116.8	141.4	-106.8	165.9	-17	0	0	113.7
150	S	48.8	Very low	49	Very low	115 Å²	115	126 Å²	126	80%	0.804	79%	0.788	S	S	*	*				156.6	123.7	121.6	-72.5	0	0	0	0	110.7
151	P	50.6	Low	49.6	Very low	115 Å²	115	129.5 Å²	129.5	75%	0.747	78%	0.783	S	S	*	*			trans	-94	159.5	-177.7	36.7	-31.9	0	0	0	113
152	S	42.8	Very low	49.8	Very low	106 Å²	106	132.8 Å²	132.8	74%	0.741	79%	0.785	S	S	*	*			trans	57.8	93.7	144.3	63.1	0	0	0	0	119.1
153	S	48.7	Very low	50.1	Low	123 Å²	123	128.7 Å²	128.7	86%	0.86	77%	0.766	S	S	*	*			trans	-109.3	89.5	143.3	63.2	0	0	0	0	109.2	G155	S153-G155 PolarHBondContact O-N 3.21Å
154	S	47.2	Very low	50.6	Low	117 Å²	117	130.3 Å²	130.3	82%	0.818	78%	0.775	S	S	*	*			trans	-68.3	81.5	163.4	54	0	0	0	0	108.7	K156	S154-K156 PolarHBondContact O-N 3.45Å
155	G	46.5	Very low	51.3	Low	67 Å²	67	131.7 Å²	131.7	69%	0.691	77%	0.773	S	S	*	*			trans	-71.7	105.9	168.8	0	0	0	0	0	109.2	S153	S153-G155 PolarHBondContact O-N 3.21Å
156	K	58.1	Low	52.1	Low	194 Å²	194	130 Å²	130	84%	0.843	76%	0.759	S	S	*	*			trans	-51.5	136.5	167.3	-71.7	177.1	175.2	177.1	0	108.8	S154 G158	S154-K156 PolarHBondContact O-N 3.45Å; K156-G158 PolarHBondContact O-N 2.6Å
157	P	49.7	Very low	53.9	Low	125 Å²	125	133.7 Å²	133.7	81%	0.812	75%	0.754	S	S	*	*			trans	-64.7	105.8	166.9	27.2	-28.7	0	0	0	106.3	T159	P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.1Å
158	G	47.7	Very low	55.7	Low	58 Å²	58	129 Å²	129	60%	0.598	74%	0.74	S	S	*	*			trans	-53.3	120.2	166.1	0	0	0	0	0	106.6	K156 N160	K156-G158 PolarHBondContact O-N 2.6Å; G158-N160 PolarHBondContact O-N 3.08Å
159	T	57.7	Low	57.7	Low	122 Å²	122	128 Å²	128	75%	0.748	73%	0.731	S	S	*	*			trans	-50.9	108.4	165.4	50.1	0	0	0	0	106	P157 K161	P157-T159 PolarHBondContact O-N 3.44Å; P157-T159 VanDerWaalsContact O-N 3.1Å; T159-K161 PolarHBondContact O-N 2.62Å
160	N	49	Very low	59.7	Low	143 Å²	143	123.9 Å²	123.9	77%	0.765	72%	0.715	S	S	*	*			trans	-64	80.2	169.1	-80.2	-14.7	0	0	0	106.5	G158 F162	G158-N160 PolarHBondContact O-N 3.08Å; N160-F162 PolarHBondContact O-N 3.4Å
161	K	55	Low	61.8	Low	182 Å²	182	120.5 Å²	120.5	79%	0.791	69%	0.69	S	S	*	*			trans	-62.7	95.5	155	-73.6	-170.8	177.6	-168.3	0	103.6	T159 P163	T159-K161 PolarHBondContact O-N 2.62Å; K161-P163 WeakPolarHBondContact O-CD 3.3Å
162	F	54.8	Low	63.8	Low	173 Å²	173	118.7 Å²	118.7	76%	0.759	67%	0.673	S	S	*	*			trans	-45.7	120.3	158.1	-72.2	-84	0	0	0	105.6	N160 T164	N160-F162 PolarHBondContact O-N 3.4Å; F162-T164 PolarHBondContact O-N 3.31Å
163	P	56.6	Low	66.1	Low	74 Å²	74	118.3 Å²	118.3	48%	0.481	66%	0.66	S	S	.	*			trans	-58.7	110.2	-179.2	20.7	-29.7	0	0	0	106.5	K161 D165 R166	K161-P163 WeakPolarHBondContact O-CD 3.3Å; P163-D165 PolarHBondContact O-N 3.22Å; P163-R166 HydrophobicContact CG-CG 4.18Å; P163-R166 PolarHBondContact O-N 3.45Å
164	T	59.9	Low	68.2	Low	153 Å²	153	113 Å²	113	94%	0.939	62%	0.622	S	S	*	*	T	Hydrogen-bonded Turn	trans	-64.7	9.6	174.6	50.5	0	0	0	0	112.1	F162	F162-T164 PolarHBondContact O-N 3.31Å
165	D	61.9	Low	70.4	Confident	140 Å²	140	109.7 Å²	109.7	75%	0.749	60%	0.595	S	S	*	*	T	Hydrogen-bonded Turn	trans	-118.4	10.8	-170.5	-149.5	7.7	0	0	0	112.6	P163 R167	P163-D165 PolarHBondContact O-N 3.22Å; D165-R167 PolarHBondContact O-N 2.93Å
166	R	71	Confident	72.7	Confident	147 Å²	147	107.5 Å²	107.5	56%	0.555	57%	0.567	S	S	*	*			trans	-75.3	64.8	166.8	-70.4	-169.1	-170.1	-172.1	6.9	110.1	N107 P163 A168	N107-R166 PolarHBondContact O-NH1 3.42Å; P163-R166 HydrophobicContact CG-CG 4.18Å; P163-R166 PolarHBondContact O-N 3.45Å; R166-A168 PolarHBondContact O-N 3.34Å
167	R	82.6	Confident	74.3	Confident	201 Å²	201	99.6 Å²	99.6	76%	0.758	54%	0.538	S	S	*	.			trans	-66.8	129.6	174.2	-175.1	175.3	174.1	-173.6	-2.1	109	W103 D165 T169	W103-R167 WeakPolarHBondContact CZ2-O 3.28Å; D165-R167 PolarHBondContact O-N 2.93Å; R167-T169 PolarHBondContact O-N 3.37Å; R167-T169 VanDerWaalsContact O-N 3.09Å; R167-T169 PolarHBondContact O-OG1 2.99Å
168	A	84.9	Confident	76.4	Confident	65 Å²	65	93.7 Å²	93.7	54%	0.537	50%	0.499	S	S	.	.			trans	-55.2	117.1	169.7	0	0	0	0	0	109.8	W103 R166	W103-A168 HydrophobicContact CD2-CB 4.41Å; W103-A168 HydrophobicContact CE3-CB 4.09Å; W103-A168 VanDerWaalsContact CH2-CA 3.47Å; W103-A168 HydrophobicContact CH2-CB 3.88Å; W103-A168 HydrophobicContact CZ2-CB 4.21Å; W103-A168 HydrophobicContact CZ3-CB 3.8Å; R166-A168 PolarHBondContact O-N 3.34Å
169	T	90.4	Very high	78.6	Confident	80 Å²	80	92 Å²	92	49%	0.491	48%	0.477	S	S	.	.			trans	-123.1	120.4	179.9	-58.5	0	0	0	0	107.3	W103 R167 T171	W103-T169 PolarHBondContact NE1-O 3.34Å; R167-T169 PolarHBondContact O-N 3.37Å; R167-T169 VanDerWaalsContact O-N 3.09Å; R167-T169 PolarHBondContact O-OG1 2.99Å; T169-T171 PolarHBondContact O-N 3.12Å; T169-T171 VanDerWaalsContact O-N 3.07Å
170	L	90.6	Very high	80.4	Confident	102 Å²	102	89.4 Å²	89.4	53%	0.534	46%	0.458	S	S	.	.			trans	-71.9	103.8	176.6	-175.6	65.2	0	0	0	108.6	L96 A99	L96-L170 HydrophobicContact CD2-CD2 3.98Å; A99-L170 HydrophobicContact CB-CD1 3.84Å
171	T	91.7	Very high	82.4	Confident	43 Å²	43	88.6 Å²	88.6	26%	0.264	45%	0.454	S	S	.	.			trans	-89.9	158.1	177.5	76.3	0	0	0	0	110.9	T169 E173 D174 L175	T169-T171 PolarHBondContact O-N 3.12Å; T169-T171 VanDerWaalsContact O-N 3.07Å; T171-E173 PolarHBondContact O-N 3.43Å; T171-D174 PolarHBondContact O-N 2.79Å; T171-D174 PolarHBondContact OG1-N 2.98Å; T171-D174 PolarHBondContact OG1-OD2 3.37Å; T171-L175 WeakPolarHBondContact O-CB 3.47Å; T171-L175 PolarHBondContact O-N 3.5Å
172	L	92.1	Very high	84.1	Confident	77 Å²	77	84.4 Å²	84.4	40%	0.403	43%	0.433	S	S	.	.	H	α-helix	trans	-66.5	-31.9	176.4	-178.3	61.9	0	0	0	110.8	L175 I176 K188	L172-L175 PolarHBondContact O-N 3.17Å; L172-I176 HydrophobicContact CD1-CD1 3.86Å; L172-I176 HydrophobicContact CD1-CG1 3.9Å; L172-I176 HydrophobicContact CD2-CD1 4.11Å; L172-I176 HydrophobicContact CG-CD1 3.57Å; L172-I176 HydrophobicContact CG-CG1 4.07Å; L172-I176 VanDerWaalsContact O-CB 3.31Å; L172-I176 WeakPolarHBondContact O-CB 3.29Å; L172-I176 WeakPolarHBondContact O-CG1 3.31Å; L172-I176 PolarHBondContact O-N 3.27Å; L172-K188 HydrophobicContact CD2-CD 4.32Å; L172-K188 HydrophobicContact CD2-CG 3.88Å
173	E	91.9	Very high	86	Confident	99 Å²	99	78.7 Å²	78.7	46%	0.463	42%	0.423	S	S	.	.	H	α-helix	trans	-60.7	-50.7	176.9	-68.4	59.4	-135.9	0	0	111.7	T171 L175 I176 A177 K188	T171-E173 PolarHBondContact O-N 3.43Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 3.04Å; E173-I176 PolarHBondContact O-N 3.48Å; E173-A177 PolarHBondContact O-N 3.23Å; E173-A177 VanDerWaalsContact O-N 3.07Å; E173-K188 VanDerWaalsContact OE1-CE 3.22Å; E173-K188 WeakPolarHBondContact OE1-CE 3.5Å; E173-K188 IonicContact OE1-NZ 2.61Å; E173-K188 PolarHBondContact OE1-NZ 3.4Å
174	D	92.3	Very high	87.7	Confident	12 Å²	12	78.7 Å²	78.7	6%	0.064	42%	0.418	C	S	.	.	H	α-helix	trans	-66	-37.4	-179.8	-55.4	-44.9	0	0	0	111.3	H102 W103 T171 S178	H102-D174 HydrophobicContact CB-CB 3.96Å; W103-D174 VanDerWaalsContact CA-CG 3.48Å; W103-D174 WeakPolarHBondContact CA-OD1 3.35Å; W103-D174 HydrophobicContact CB-CB 4.31Å; W103-D174 WeakPolarHBondContact CB-OD2 3.11Å; W103-D174 VanDerWaalsContact CD1-OD2 3.28Å; W103-D174 PolarHBondContact N-OD1 3.46Å; T171-D174 PolarHBondContact O-N 2.79Å; T171-D174 PolarHBondContact OG1-N 2.98Å; T171-D174 PolarHBondContact OG1-OD2 3.37Å; D174-S178 PolarHBondContact O-N 2.81Å; D174-S178 PolarHBondContact O-OG 2.97Å
175	L	94.1	Very high	89.1	Confident	47 Å²	47	79 Å²	79	25%	0.246	41%	0.409	C	S	.	.	H	α-helix	trans	-69.4	-45.7	177.5	-176.2	63.3	0	0	0	112	I95 T171 L172 E173 A177 S178 L179	I95-L175 HydrophobicContact CG2-CD1 4.16Å; T171-L175 WeakPolarHBondContact O-CB 3.47Å; T171-L175 PolarHBondContact O-N 3.5Å; L172-L175 PolarHBondContact O-N 3.17Å; E173-L175 VanDerWaalsContact C-N 3.31Å; E173-L175 PolarHBondContact O-N 3.04Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.4Å; L175-S178 PolarHBondContact O-N 3.07Å; L175-L179 HydrophobicContact CD1-CD1 4.29Å; L175-L179 HydrophobicContact CD1-CG 4.32Å; L175-L179 HydrophobicContact CG-CD1 4.01Å; L175-L179 HydrophobicContact CG-CG 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.39Å
176	I	94.4	Very high	90.4	Very high	20 Å²	20	75.2 Å²	75.2	10%	0.103	39%	0.39	C	S	.	.	H	α-helix	trans	-61.5	-41	177.8	-72.9	172.3	0	0	0	110.7	L172 E173 S178 L179 N180 V186 K188	L172-I176 HydrophobicContact CD1-CD1 3.86Å; L172-I176 HydrophobicContact CD1-CG1 3.9Å; L172-I176 HydrophobicContact CD2-CD1 4.11Å; L172-I176 HydrophobicContact CG-CD1 3.57Å; L172-I176 HydrophobicContact CG-CG1 4.07Å; L172-I176 VanDerWaalsContact O-CB 3.31Å; L172-I176 WeakPolarHBondContact O-CB 3.29Å; L172-I176 WeakPolarHBondContact O-CG1 3.31Å; L172-I176 PolarHBondContact O-N 3.27Å; E173-I176 PolarHBondContact O-N 3.48Å; I176-S178 PolarHBondContact O-N 2.81Å; I176-L179 PolarHBondContact O-N 3.04Å; I176-N180 WeakPolarHBondContact O-CB 3.5Å; I176-N180 VanDerWaalsContact O-CG 3.31Å; I176-N180 PolarHBondContact O-N 2.69Å; I176-V186 HydrophobicContact CD1-CG1 4.5Å; I176-V186 HydrophobicContact CG1-CB 4.09Å; I176-V186 HydrophobicContact CG1-CG1 4.23Å; I176-K188 HydrophobicContact CD1-CD 4.3Å; I176-K188 HydrophobicContact CD1-CG 3.64Å
177	A	92.3	Very high	91.2	Very high	29 Å²	29	72.6 Å²	72.6	24%	0.24	40%	0.401	C	S	.	.	H	α-helix	trans	-58.4	-49.3	176.8	0	0	0	0	0	111.1	E173 L175 L179 N180 D181	E173-A177 PolarHBondContact O-N 3.23Å; E173-A177 VanDerWaalsContact O-N 3.07Å; L175-A177 VanDerWaalsContact C-N 3.31Å; L175-A177 PolarHBondContact O-N 3.4Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.35Å; A177-N180 PolarHBondContact O-N 2.94Å; A177-D181 PolarHBondContact O-N 3.27Å; A177-D181 VanDerWaalsContact O-N 3.16Å
178	S	93.5	Very high	91.3	Very high	0 Å²	0	68.2 Å²	68.2	0%	0	39%	0.387	C	S	.	.	H	α-helix	trans	-64.4	-36.5	179.5	-49.8	0	0	0	0	113.3	A99 H102 D174 L175 I176	A99-S178 WeakPolarHBondContact CA-OG 3.45Å; A99-S178 WeakPolarHBondContact CB-OG 3.34Å; A99-S178 PolarHBondContact N-OG 3.11Å; H102-S178 PolarHBondContact CD2-OG 3.32Å; H102-S178 VanDerWaalsContact CD2-OG 3.23Å; D174-S178 PolarHBondContact O-N 2.81Å; D174-S178 PolarHBondContact O-OG 2.97Å; L175-S178 PolarHBondContact O-N 3.07Å; I176-S178 PolarHBondContact O-N 2.81Å
179	L	94.7	Very high	91.4	Very high	24 Å²	24	69.8 Å²	69.8	13%	0.126	39%	0.392	C	S	.	.	H	α-helix	trans	-72.9	-37.9	177.3	-72	177.8	0	0	0	111.9	I95 L175 I176 A177 D181 R182 G183 I184 V186	I95-L179 HydrophobicContact CD1-CD2 4.22Å; I95-L179 HydrophobicContact CG2-CD2 4.04Å; L175-L179 HydrophobicContact CD1-CD1 4.29Å; L175-L179 HydrophobicContact CD1-CG 4.32Å; L175-L179 HydrophobicContact CG-CD1 4.01Å; L175-L179 HydrophobicContact CG-CG 4.42Å; L175-L179 WeakPolarHBondContact O-CB 3.48Å; L175-L179 VanDerWaalsContact O-CG 3.31Å; L175-L179 WeakPolarHBondContact O-CG 3.49Å; L175-L179 PolarHBondContact O-N 3.39Å; I176-L179 PolarHBondContact O-N 3.04Å; A177-L179 VanDerWaalsContact C-N 3.34Å; A177-L179 PolarHBondContact O-N 3.35Å; L179-D181 VanDerWaalsContact C-N 3.31Å; L179-D181 PolarHBondContact O-N 2.8Å; L179-R182 CarbonylContact O-C 3.24Å; L179-R182 WeakPolarHBondContact O-CA 3.46Å; L179-R182 PolarHBondContact O-N 3.33Å; L179-G183 PolarHBondContact O-N 3.34Å; L179-I184 CarbonylContact C-O 3.51Å; L179-I184 VanDerWaalsContact C-O 3.24Å; L179-I184 HydrophobicContact CB-CB 4.13Å; L179-I184 HydrophobicContact CB-CG2 4.41Å; L179-I184 WeakPolarHBondContact CB-O 3.45Å; L179-I184 HydrophobicContact CD2-CB 4.41Å; L179-I184 HydrophobicContact CD2-CD1 4.1Å; L179-I184 HydrophobicContact CD2-CG2 4.49Å; L179-I184 PolarHBondContact O-N 3.42Å; L179-V186 HydrophobicContact CD1-CG2 3.74Å
180	N	94.2	Very high	91.2	Very high	66 Å²	66	71.2 Å²	71.2	35%	0.353	40%	0.402	S	S	.	.	H	α-helix	trans	-62.1	-38.8	175.8	-82.6	-19	0	0	0	111.7	I176 A177 R182 G183 I184 H185	I176-N180 WeakPolarHBondContact O-CB 3.5Å; I176-N180 VanDerWaalsContact O-CG 3.31Å; I176-N180 PolarHBondContact O-N 2.69Å; A177-N180 PolarHBondContact O-N 2.94Å; N180-R182 PolarHBondContact O-N 3.36Å; N180-G183 PolarHBondContact O-N 3.04Å; N180-I184 PolarHBondContact N-O 2.91Å; N180-I184 PolarHBondContact OD1-O 3.09Å; N180-H185 PolarHBondContact OD1-ND1 2.83Å; N180-H185 VanDerWaalsContact OD1-ND1 3.13Å
181	D	91.1	Very high	91.2	Very high	126 Å²	126	77 Å²	77	67%	0.674	42%	0.419	S	S	*	.	H	α-helix	trans	-62.7	-23.1	175.5	-71.2	-10.7	0	0	0	112.5	H102 A177 L179	H102-D181 IonicContact NE2-OD2 3.27Å; A177-D181 PolarHBondContact O-N 3.27Å; A177-D181 VanDerWaalsContact O-N 3.16Å; L179-D181 VanDerWaalsContact C-N 3.31Å; L179-D181 PolarHBondContact O-N 2.8Å
182	R	92.2	Very high	91.1	Very high	94 Å²	94	86 Å²	86	36%	0.355	45%	0.45	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97	6.3	176	-64.3	172.9	-179.9	-95.8	-1.1	113.3	D94 D98 L179 N180	D94-R182 PolarHBondContact O-NH2 2.96Å; D98-R182 IonicContact OD2-CZ 3.67Å; D98-R182 IonicContact OD2-NE 2.81Å; D98-R182 PolarHBondContact OD2-NE 2.94Å; D98-R182 IonicContact OD2-NH2 3.66Å; D98-R182 PolarHBondContact OD2-NH2 3.15Å; L179-R182 CarbonylContact O-C 3.24Å; L179-R182 WeakPolarHBondContact O-CA 3.46Å; L179-R182 PolarHBondContact O-N 3.33Å; N180-R182 PolarHBondContact O-N 3.36Å
183	G	92.9	Very high	90.8	Very high	54 Å²	54	97.5 Å²	97.5	56%	0.557	49%	0.487	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.3	13.8	180	0	0	0	0	0	115	L179 N180	L179-G183 PolarHBondContact O-N 3.34Å; N180-G183 PolarHBondContact O-N 3.04Å
184	I	92.2	Very high	90.7	Very high	74 Å²	74	97.4 Å²	97.4	38%	0.379	49%	0.489	S	S	.	.			trans	-100.8	105.7	177.8	-58.5	170.2	0	0	0	108.7	L179 N180 V186	L179-I184 CarbonylContact C-O 3.51Å; L179-I184 VanDerWaalsContact C-O 3.24Å; L179-I184 HydrophobicContact CB-CB 4.13Å; L179-I184 HydrophobicContact CB-CG2 4.41Å; L179-I184 WeakPolarHBondContact CB-O 3.45Å; L179-I184 HydrophobicContact CD2-CB 4.41Å; L179-I184 HydrophobicContact CD2-CD1 4.1Å; L179-I184 HydrophobicContact CD2-CG2 4.49Å; L179-I184 PolarHBondContact O-N 3.42Å; N180-I184 PolarHBondContact N-O 2.91Å; N180-I184 PolarHBondContact OD1-O 3.09Å; I184-V186 HydrophobicContact CG2-CG2 4.21Å
185	H	90.7	Very high	90.7	Very high	160 Å²	160	101.9 Å²	101.9	74%	0.741	51%	0.511	S	S	*	.			trans	-85.5	120.1	178.8	-64.1	-62	0	0	0	111.7	N180	N180-H185 PolarHBondContact OD1-ND1 2.83Å; N180-H185 VanDerWaalsContact OD1-ND1 3.13Å
186	V	88.9	Confident	90.5	Very high	59 Å²	59	104.9 Å²	104.9	36%	0.358	53%	0.526	S	S	.	.			trans	-118	116.9	175.2	178.8	0	0	0	0	109	I176 L179 I184	I176-V186 HydrophobicContact CD1-CG1 4.5Å; I176-V186 HydrophobicContact CG1-CB 4.09Å; I176-V186 HydrophobicContact CG1-CG1 4.23Å; L179-V186 HydrophobicContact CD1-CG2 3.74Å; I184-V186 HydrophobicContact CG2-CG2 4.21Å
187	A	86.7	Confident	90.2	Very high	93 Å²	93	109.9 Å²	109.9	77%	0.769	55%	0.55	S	S	*	*	P	Polyproline II helix	trans	-87.3	138.7	178.2	0	0	0	0	0	111.1
188	K	85.7	Confident	90.1	Very high	108 Å²	108	115 Å²	115	47%	0.47	57%	0.57	S	S	.	*	P	Polyproline II helix	trans	-75.8	127.7	173	-62.1	-174.3	-173.2	167.9	0	109.4	L172 E173 I176	L172-K188 HydrophobicContact CD2-CD 4.32Å; L172-K188 HydrophobicContact CD2-CG 3.88Å; E173-K188 VanDerWaalsContact OE1-CE 3.22Å; E173-K188 WeakPolarHBondContact OE1-CE 3.5Å; E173-K188 IonicContact OE1-NZ 2.61Å; E173-K188 PolarHBondContact OE1-NZ 3.4Å; I176-K188 HydrophobicContact CD1-CD 4.3Å; I176-K188 HydrophobicContact CD1-CG 3.64Å
189	P	86.3	Confident	89.9	Confident	99 Å²	99	122.7 Å²	122.7	64%	0.643	61%	0.608	S	S	*	*	P	Polyproline II helix	trans	-65.9	139.9	174.7	27.2	-32.9	0	0	0	109.9
190	P	87.2	Confident	89.5	Confident	109 Å²	109	129.7 Å²	129.7	71%	0.708	64%	0.642	S	S	*	*	P	Polyproline II helix	trans	-67.2	143.6	173	28.6	-33.4	0	0	0	110.3
191	Y	90	Very high	89.2	Confident	225 Å²	225	134.6 Å²	134.6	88%	0.882	67%	0.665	S	S	*	*	P	Polyproline II helix	trans	-75.8	133.9	171.1	-67.6	-82.8	0	0	0	110.2
192	Y	89.4	Confident	89	Confident	232 Å²	232	135.3 Å²	135.3	91%	0.91	66%	0.664	S	S	*	*	P	Polyproline II helix	trans	-69.8	130	167.6	-58	-81.2	0	0	0	108.9
193	R	86	Confident	88.7	Confident	317 Å²	317	139.1 Å²	139.1	100%	1.196	69%	0.692	S	S	*	*			trans	-100.6	0	173.4	-74.7	-164.2	176.9	-161	0.5	110.9

Retrieved 193 of 193 residues in 42.3 ms (Link to these results)

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