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Mitochondrial import inner membrane translocase subunit TIM22

Essential core component of the TIM22 complex, a complex that mediates the import and insertion of multi-pass transmembrane proteins into the mitochondrial inner membrane. In the TIM22 complex, it constitutes the voltage-activated and signal-gated channel. Forms a twin-pore translocase that uses the membrane potential as external driving force in 2 voltage-dependent steps.

AlphaFold DB , UniProt , Accession A0A060WD76, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 201 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	36.2	Very low	37.4	Very low	243 Å²	243	135.9 Å²	135.9	100%	1.197	82%	0.821	S	S	*	*				0	91.1	0	-80.6	171.8	168.3	0	0	106.5
2	A	31.3	Very low	37.1	Very low	84 Å²	84	136.6 Å²	136.6	69%	0.694	83%	0.825	S	S	*	*				89.4	99.3	87.7	0	0	0	0	0	110
3	T	32.8	Very low	36.8	Very low	121 Å²	121	133.2 Å²	133.2	74%	0.742	81%	0.812	S	S	*	*				93.7	106.9	96.3	46.9	0	0	0	0	112.9
4	T	37.3	Very low	36.4	Very low	124 Å²	124	134.1 Å²	134.1	76%	0.761	81%	0.809	S	S	*	*				58.2	125.1	104.6	60.2	0	0	0	0	117.1
5	V	38.7	Very low	35.9	Very low	147 Å²	147	133.8 Å²	133.8	89%	0.891	81%	0.808	S	S	*	*			trans	-175.2	144.7	139.6	178.2	0	0	0	0	106
6	N	37.8	Very low	36.2	Very low	149 Å²	149	137.3 Å²	137.3	80%	0.797	81%	0.813	S	S	*	*			cis	-172.1	163.8	-25.7	-175.9	23.6	0	0	0	105.7
7	N	41.3	Very low	35.9	Very low	148 Å²	148	135.7 Å²	135.7	79%	0.791	81%	0.811	S	S	*	*			trans	-61	157.2	-176.2	-143.4	13.5	0	0	0	115.9
8	G	30.1	Very low	35.9	Very low	74 Å²	74	134.1 Å²	134.1	76%	0.763	81%	0.807	S	S	*	*			trans	176.3	92.3	165.6	0	0	0	0	0	115.5
9	N	35.2	Very low	35.9	Very low	156 Å²	156	133.7 Å²	133.7	83%	0.834	81%	0.806	S	S	*	*			trans	-59.9	153.5	164.2	-85.1	-13.9	0	0	0	112.4
10	V	38.2	Very low	35.9	Very low	137 Å²	137	133 Å²	133	83%	0.83	81%	0.807	S	S	*	*				-177.7	139.9	119.7	166.7	0	0	0	0	108.7
11	P	52.5	Low	35.9	Very low	112 Å²	112	131.6 Å²	131.6	73%	0.727	81%	0.809	S	S	*	*			trans	-96.2	170.6	-173.1	38.4	-31.7	0	0	0	112.5
12	V	34.2	Very low	36	Very low	144 Å²	144	127.3 Å²	127.3	87%	0.873	79%	0.791	S	S	*	*			trans	-178.2	135.5	146.4	149.5	0	0	0	0	111.2
13	S	32.9	Very low	36.7	Very low	93 Å²	93	129.1 Å²	129.1	65%	0.65	80%	0.796	S	S	*	*			trans	-55	169.9	171.2	-39.8	0	0	0	0	113.2
14	D	30.9	Very low	37	Very low	145 Å²	145	134.8 Å²	134.8	78%	0.775	80%	0.804	S	S	*	*			cis	-166.6	158.4	39.3	-89.1	-53.3	0	0	0	107.6
15	T	28.8	Very low	37.4	Very low	130 Å²	130	138 Å²	138	80%	0.798	80%	0.803	S	S	*	*				175.9	107.6	121.4	-66.7	0	0	0	0	109
16	Q	41.2	Very low	37.6	Very low	190 Å²	190	140.7 Å²	140.7	89%	0.888	81%	0.806	S	S	*	*			trans	-72.6	137.3	160	-77.7	174.2	-8.8	0	0	109.9
17	S	31.2	Very low	38	Very low	110 Å²	110	136.9 Å²	136.9	77%	0.769	80%	0.802	S	S	*	*			trans	-146.7	98.9	150.1	63.4	0	0	0	0	110.2
18	S	36.3	Very low	38.5	Very low	106 Å²	106	132.6 Å²	132.6	74%	0.741	78%	0.783	S	S	*	*			trans	-58.1	146.7	155.8	44.9	0	0	0	0	109.2
19	T	34.8	Very low	40.1	Very low	128 Å²	128	135.4 Å²	135.4	79%	0.785	79%	0.786	S	S	*	*				175.2	133.2	64.3	-37.9	0	0	0	0	108.3
20	S	35.4	Very low	41.4	Very low	119 Å²	119	133.3 Å²	133.3	83%	0.832	77%	0.77	S	S	*	*			trans	174.2	111	132.1	57.4	0	0	0	0	109.2
21	A	36.1	Very low	43.2	Very low	104 Å²	104	132.7 Å²	132.7	86%	0.86	76%	0.758	S	S	*	*			trans	-76.6	133	-176.9	0	0	0	0	0	112.2
22	D	38.2	Very low	44.6	Very low	153 Å²	153	136 Å²	136	82%	0.818	76%	0.757	S	S	*	*			trans	-117	124.9	154.9	-123.1	-24.4	0	0	0	106.9	R24	D22-R24 VanDerWaalsContact C-N 3.35Å; D22-R24 PolarHBondContact O-N 3.05Å
23	P	46.3	Very low	46.8	Very low	122 Å²	122	132.8 Å²	132.8	79%	0.792	74%	0.741	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.8	43	-160.5	35	-36.1	0	0	0	114.8
24	R	40.4	Very low	49.1	Very low	240 Å²	240	133.6 Å²	133.6	91%	0.906	74%	0.736	S	S	*	*	T	Hydrogen-bonded Turn	trans	-141.5	22.7	-176.3	-90.3	-166.4	-152.3	173.1	9.4	118.4	D22	D22-R24 VanDerWaalsContact C-N 3.35Å; D22-R24 PolarHBondContact O-N 3.05Å
25	Y	45	Very low	51.6	Low	190 Å²	190	130.8 Å²	130.8	75%	0.745	72%	0.72	S	S	*	*			trans	-147	91	172.2	-141.4	-98.9	0	0	0	112.4	G27	Y25-G27 PolarHBondContact O-N 3.07Å
26	E	42.7	Very low	54.2	Low	205 Å²	205	129.2 Å²	129.2	96%	0.958	71%	0.706	S	S	*	*			trans	-76.4	89.9	176.6	-156.7	161.8	138.2	0	0	109.7	S28	E26-S28 PolarHBondContact O-N 3.08Å
27	G	45.8	Very low	56.2	Low	68 Å²	68	123.6 Å²	123.6	70%	0.701	68%	0.68	S	S	*	*			trans	36.8	73.3	147.1	0	0	0	0	0	120.2	Y25	Y25-G27 PolarHBondContact O-N 3.07Å
28	S	52.7	Low	58.8	Low	58 Å²	58	123.3 Å²	123.3	41%	0.406	67%	0.667	S	S	.	*			trans	-89.2	100.9	150	54.8	0	0	0	0	109.2	E26 F30	E26-S28 PolarHBondContact O-N 3.08Å; S28-F30 WeakPolarHBondContact O-CD2 3.3Å; S28-F30 PolarHBondContact O-N 2.87Å; S28-F30 WeakPolarHBondContact OG-CE2 3.42Å; S28-F30 WeakPolarHBondContact OG-CZ 3.29Å
29	T	62.4	Low	61	Low	134 Å²	134	123.2 Å²	123.2	82%	0.822	66%	0.657	S	S	*	*			trans	-62.7	86.9	164.1	-34.8	0	0	0	0	107.1	Q31	T29-Q31 PolarHBondContact O-N 3.38Å
30	F	64.2	Low	63.5	Low	112 Å²	112	123.6 Å²	123.6	49%	0.491	65%	0.653	S	S	.	*			trans	-61.1	105	175.9	-74.6	-78.9	0	0	0	107.4	S28 Y32 L35	S28-F30 WeakPolarHBondContact O-CD2 3.3Å; S28-F30 PolarHBondContact O-N 2.87Å; S28-F30 WeakPolarHBondContact OG-CE2 3.42Å; S28-F30 WeakPolarHBondContact OG-CZ 3.29Å; F30-Y32 VanDerWaalsContact C-N 3.29Å; F30-Y32 VanDerWaalsContact O-CD2 3.3Å; F30-Y32 WeakPolarHBondContact O-CD2 3.36Å; F30-Y32 PolarHBondContact O-N 2.94Å; F30-L35 HydrophobicContact CD1-CD1 4.24Å
31	Q	75.9	Confident	65.8	Low	123 Å²	123	119.2 Å²	119.2	58%	0.575	63%	0.627	S	S	*	*			trans	-69.4	94	170.1	-75.3	-164.3	5.8	0	0	107.6	T29 S33 M34 L35	T29-Q31 PolarHBondContact O-N 3.38Å; Q31-S33 PolarHBondContact O-N 3.4Å; Q31-S33 VanDerWaalsContact O-N 3.08Å; Q31-M34 HydrophobicContact CB-CB 4.16Å; Q31-M34 HydrophobicContact CB-CG 3.98Å; Q31-M34 PolarHBondContact O-N 2.9Å; Q31-L35 PolarHBondContact O-N 3.15Å; Q31-L35 VanDerWaalsContact O-N 3.15Å
32	Y	80.4	Confident	68	Low	182 Å²	182	124 Å²	124	71%	0.714	63%	0.631	S	S	*	*	H	α-helix	trans	-51.5	-31.6	177.8	-70.5	-84.1	0	0	0	112.3	F30 L35 L36	F30-Y32 VanDerWaalsContact C-N 3.29Å; F30-Y32 VanDerWaalsContact O-CD2 3.3Å; F30-Y32 WeakPolarHBondContact O-CD2 3.36Å; F30-Y32 PolarHBondContact O-N 2.94Å; Y32-L35 PolarHBondContact O-N 2.89Å; Y32-L36 VanDerWaalsContact O-CB 3.31Å; Y32-L36 WeakPolarHBondContact O-CB 3.31Å; Y32-L36 WeakPolarHBondContact O-CD1 3.49Å; Y32-L36 VanDerWaalsContact O-CG 3.29Å; Y32-L36 WeakPolarHBondContact O-CG 3.47Å; Y32-L36 PolarHBondContact O-N 2.78Å
33	S	80.2	Confident	70	Confident	76 Å²	76	122.4 Å²	122.4	53%	0.531	62%	0.617	S	S	.	*	H	α-helix	trans	-58.4	-48.7	172.8	50.2	0	0	0	0	112.8	Q31 L35 L36 E37	Q31-S33 PolarHBondContact O-N 3.4Å; Q31-S33 VanDerWaalsContact O-N 3.08Å; S33-L35 VanDerWaalsContact C-N 3.34Å; S33-L36 PolarHBondContact O-N 3.01Å; S33-E37 WeakPolarHBondContact O-CB 3.01Å; S33-E37 PolarHBondContact O-N 3.04Å
34	M	81.9	Confident	71.8	Confident	110 Å²	110	124 Å²	124	54%	0.542	61%	0.607	S	S	.	*	H	α-helix	trans	-67.6	-35.6	178.3	-68.7	-70.6	-75.8	0	0	111.8	Q31 E37 H38	Q31-M34 HydrophobicContact CB-CB 4.16Å; Q31-M34 HydrophobicContact CB-CG 3.98Å; Q31-M34 PolarHBondContact O-N 2.9Å; M34-E37 PolarHBondContact O-N 3.18Å; M34-H38 PolarHBondContact O-N 3.13Å
35	L	83.4	Confident	73.7	Confident	86 Å²	86	115.9 Å²	115.9	45%	0.45	59%	0.586	S	S	.	*	H	α-helix	trans	-69.8	-42.4	177.8	-138.1	106.6	0	0	0	111.8	F30 Q31 Y32 S33 E37 H38 L39	F30-L35 HydrophobicContact CD1-CD1 4.24Å; Q31-L35 PolarHBondContact O-N 3.15Å; Q31-L35 VanDerWaalsContact O-N 3.15Å; Y32-L35 PolarHBondContact O-N 2.89Å; S33-L35 VanDerWaalsContact C-N 3.34Å; L35-E37 VanDerWaalsContact C-N 3.3Å; L35-E37 PolarHBondContact O-N 3.47Å; L35-H38 PolarHBondContact O-N 2.76Å; L35-L39 HydrophobicContact CD2-CD1 3.91Å; L35-L39 WeakPolarHBondContact O-CB 3.34Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 3.47Å
36	L	82.6	Confident	75.2	Confident	97 Å²	97	114.7 Å²	114.7	51%	0.508	59%	0.59	S	S	.	*	H	α-helix	trans	-61.8	-38.8	173.9	-80.8	161.3	0	0	0	111.4	Y32 S33 H38 L39 I40 G41	Y32-L36 VanDerWaalsContact O-CB 3.31Å; Y32-L36 WeakPolarHBondContact O-CB 3.31Å; Y32-L36 WeakPolarHBondContact O-CD1 3.49Å; Y32-L36 VanDerWaalsContact O-CG 3.29Å; Y32-L36 WeakPolarHBondContact O-CG 3.47Å; Y32-L36 PolarHBondContact O-N 2.78Å; S33-L36 PolarHBondContact O-N 3.01Å; L36-H38 VanDerWaalsContact C-N 3.26Å; L36-H38 PolarHBondContact O-N 3.25Å; L36-L39 PolarHBondContact O-N 3.47Å; L36-I40 HydrophobicContact CD2-CD1 4.01Å; L36-I40 PolarHBondContact O-N 3.38Å; L36-G41 PolarHBondContact O-N 3.24Å; L36-G41 VanDerWaalsContact O-N 3.13Å
37	E	84.3	Confident	76.8	Confident	73 Å²	73	112.6 Å²	112.6	34%	0.341	58%	0.578	S	S	.	*	H	α-helix	trans	-66.5	-29	178.4	-153.6	-179.8	161.6	0	0	112.6	S33 M34 L35 G41 K43	S33-E37 WeakPolarHBondContact O-CB 3.01Å; S33-E37 PolarHBondContact O-N 3.04Å; M34-E37 PolarHBondContact O-N 3.18Å; L35-E37 VanDerWaalsContact C-N 3.3Å; L35-E37 PolarHBondContact O-N 3.47Å; E37-G41 CarbonylContact O-C 3.31Å; E37-G41 VanDerWaalsContact O-C 3.31Å; E37-G41 WeakPolarHBondContact O-CA 3.37Å; E37-G41 PolarHBondContact O-N 3.46Å; E37-K43 HydrophobicContact CG-CD 4.37Å; E37-K43 WeakPolarHBondContact OE1-CE 3.34Å; E37-K43 IonicContact OE1-NZ 2.76Å; E37-K43 PolarHBondContact OE1-NZ 3.16Å; E37-K43 IonicContact OE2-NZ 3.47Å; E37-K43 PolarHBondContact OE2-NZ 3.19Å
38	H	84.9	Confident	78.1	Confident	104 Å²	104	116.9 Å²	116.9	48%	0.481	59%	0.585	S	S	.	*	H	α-helix	trans	-86.5	-25.5	176.1	-158.5	65.7	0	0	0	113.7	M34 L35 L36 K43 R44	M34-H38 PolarHBondContact O-N 3.13Å; L35-H38 PolarHBondContact O-N 2.76Å; L36-H38 VanDerWaalsContact C-N 3.26Å; L36-H38 PolarHBondContact O-N 3.25Å; H38-K43 PolarHBondContact ND1-O 3.32Å; H38-R44 WeakPolarHBondContact O-CA 3.25Å
39	L	84.3	Confident	78.9	Confident	103 Å²	103	118.5 Å²	118.5	54%	0.539	59%	0.589	S	S	.	*	H	α-helix	trans	-90.5	-39.7	179.9	-70.2	170.4	0	0	0	113.1	L35 L36 R44	L35-L39 HydrophobicContact CD2-CD1 3.91Å; L35-L39 WeakPolarHBondContact O-CB 3.34Å; L35-L39 WeakPolarHBondContact O-CG 3.35Å; L35-L39 PolarHBondContact O-N 3.47Å; L36-L39 PolarHBondContact O-N 3.47Å; L39-R44 WeakPolarHBondContact O-CD 3.11Å
40	I	85.9	Confident	79.1	Confident	137 Å²	137	116.5 Å²	116.5	70%	0.703	57%	0.573	S	S	*	*	T	Hydrogen-bonded Turn	trans	-126	-17.6	-171.4	-54.9	173.4	0	0	0	111.6	L36	L36-I40 HydrophobicContact CD2-CD1 4.01Å; L36-I40 PolarHBondContact O-N 3.38Å
41	G	83.6	Confident	79.3	Confident	27 Å²	27	115.5 Å²	115.5	28%	0.278	58%	0.578	S	S	.	*	S	Bend	trans	-85.5	-177.4	-178.9	0	0	0	0	0	115.2	L36 E37 K43 R44	L36-G41 PolarHBondContact O-N 3.24Å; L36-G41 VanDerWaalsContact O-N 3.13Å; E37-G41 CarbonylContact O-C 3.31Å; E37-G41 VanDerWaalsContact O-C 3.31Å; E37-G41 WeakPolarHBondContact O-CA 3.37Å; E37-G41 PolarHBondContact O-N 3.46Å; G41-K43 PolarHBondContact O-N 2.83Å; G41-K43 VanDerWaalsContact O-N 3.16Å; G41-R44 VanDerWaalsContact O-CB 3.25Å; G41-R44 WeakPolarHBondContact O-CB 3.32Å; G41-R44 PolarHBondContact O-N 3.09Å; G41-R44 VanDerWaalsContact O-N 3.09Å
42	E	83.1	Confident	78.8	Confident	203 Å²	203	113.4 Å²	113.4	95%	0.949	57%	0.574	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.6	-22.2	-178.9	-77.4	-168.7	138.3	0	0	113.9	R44	E42-R44 PolarHBondContact O-N 3.49Å
43	K	80.2	Confident	78.2	Confident	120 Å²	120	110.8 Å²	110.8	52%	0.522	58%	0.576	S	S	.	*	T	Hydrogen-bonded Turn	trans	-82.9	8.3	178.3	-65.2	175.7	-177.5	144.7	0	112.9	E37 H38 G41 P45	E37-K43 HydrophobicContact CG-CD 4.37Å; E37-K43 WeakPolarHBondContact OE1-CE 3.34Å; E37-K43 IonicContact OE1-NZ 2.76Å; E37-K43 PolarHBondContact OE1-NZ 3.16Å; E37-K43 IonicContact OE2-NZ 3.47Å; E37-K43 PolarHBondContact OE2-NZ 3.19Å; H38-K43 PolarHBondContact ND1-O 3.32Å; G41-K43 PolarHBondContact O-N 2.83Å; G41-K43 VanDerWaalsContact O-N 3.16Å; K43-P45 WeakPolarHBondContact O-CD 3.14Å
44	R	83.6	Confident	77.7	Confident	155 Å²	155	114.2 Å²	114.2	59%	0.585	59%	0.585	S	S	*	*			trans	-66.1	121.1	178.3	-175.8	-171.5	-179.2	-161.8	0.4	110.5	H38 L39 G41 E42 I46	H38-R44 WeakPolarHBondContact O-CA 3.25Å; L39-R44 WeakPolarHBondContact O-CD 3.11Å; G41-R44 VanDerWaalsContact O-CB 3.25Å; G41-R44 WeakPolarHBondContact O-CB 3.32Å; G41-R44 PolarHBondContact O-N 3.09Å; G41-R44 VanDerWaalsContact O-N 3.09Å; E42-R44 PolarHBondContact O-N 3.49Å; R44-I46 PolarHBondContact O-N 3.33Å
45	P	79.8	Confident	77.1	Confident	71 Å²	71	110.9 Å²	110.9	46%	0.461	58%	0.58	S	S	.	*			trans	-67.9	134	172.3	27.3	-31.8	0	0	0	110.1	K43 K47	K43-P45 WeakPolarHBondContact O-CD 3.14Å; P45-K47 PolarHBondContact O-N 3.38Å; P45-K47 VanDerWaalsContact O-N 3.11Å
46	I	76.6	Confident	76.8	Confident	164 Å²	164	110.9 Å²	110.9	84%	0.841	60%	0.6	S	S	*	*			trans	-65.2	114.1	171.8	-58.1	-172.9	0	0	0	107.1	R44	R44-I46 PolarHBondContact O-N 3.33Å
47	K	76.8	Confident	76.5	Confident	162 Å²	162	113.3 Å²	113.3	70%	0.704	61%	0.613	S	S	*	*			trans	-110.7	119.5	179.4	-158.8	164.4	-175.1	168.4	0	107.4	P45 L49	P45-K47 PolarHBondContact O-N 3.38Å; P45-K47 VanDerWaalsContact O-N 3.11Å; K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 HydrophobicContact CB-CD1 3.93Å; K47-L49 HydrophobicContact CG-CD1 4.12Å; K47-L49 WeakPolarHBondContact O-CD1 3.15Å; K47-L49 PolarHBondContact O-N 3.3Å
48	D	72.4	Confident	76	Confident	158 Å²	158	115 Å²	115	85%	0.845	63%	0.63	S	S	*	*			trans	-70.4	91.9	173	-65.1	-41	0	0	0	108.2	N50	D48-N50 PolarHBondContact O-N 3.22Å
49	L	69.4	Low	75.6	Confident	92 Å²	92	116.1 Å²	116.1	48%	0.482	64%	0.64	S	S	.	*			trans	-71.7	116.8	175.4	-98	74.1	0	0	0	108.4	K47 P51 M54	K47-L49 VanDerWaalsContact C-N 3.3Å; K47-L49 HydrophobicContact CB-CD1 3.93Å; K47-L49 HydrophobicContact CG-CD1 4.12Å; K47-L49 WeakPolarHBondContact O-CD1 3.15Å; K47-L49 PolarHBondContact O-N 3.3Å; L49-P51 VanDerWaalsContact O-CD 3.31Å; L49-P51 WeakPolarHBondContact O-CD 3.49Å; L49-M54 HydrophobicContact CD2-CG 4.09Å; L49-M54 HydrophobicContact CD2-SD 3.25Å; L49-M54 WeakPolarHBondContact CD2-SD 3.25Å
50	N	66.9	Low	75.2	Confident	91 Å²	91	116 Å²	116	49%	0.487	65%	0.645	S	S	.	*			trans	-65.3	116.9	167.9	-169.9	-50	0	0	0	108.2	D48 T52 V53	D48-N50 PolarHBondContact O-N 3.22Å; N50-T52 PolarHBondContact O-N 3.04Å; N50-T52 WeakPolarHBondContact OD1-CB 3.48Å; N50-T52 PolarHBondContact OD1-N 3.47Å; N50-T52 PolarHBondContact OD1-OG1 2.04Å; N50-V53 HydrophobicContact CB-CG2 4.18Å; N50-V53 PolarHBondContact O-N 2.78Å
51	P	68	Low	74.5	Confident	91 Å²	91	117.2 Å²	117.2	59%	0.591	65%	0.65	S	S	*	*	H	α-helix	trans	-62.3	-20	-175.2	24.9	-34	0	0	0	112.8	L49 V53	L49-P51 VanDerWaalsContact O-CD 3.31Å; L49-P51 WeakPolarHBondContact O-CD 3.49Å; P51-V53 VanDerWaalsContact C-N 3.26Å; P51-V53 PolarHBondContact O-N 3.26Å
52	T	67	Low	74.2	Confident	80 Å²	80	120.4 Å²	120.4	49%	0.491	66%	0.656	S	S	.	*	H	α-helix	trans	-68.2	-24.4	176.1	-39	0	0	0	0	112.7	N50	N50-T52 PolarHBondContact O-N 3.04Å; N50-T52 WeakPolarHBondContact OD1-CB 3.48Å; N50-T52 PolarHBondContact OD1-N 3.47Å; N50-T52 PolarHBondContact OD1-OG1 2.04Å
53	V	68.1	Low	74.4	Confident	127 Å²	127	114.3 Å²	114.3	77%	0.77	63%	0.633	S	S	*	*	H	α-helix	trans	-94.6	-19.6	-176.8	-175.4	0	0	0	0	111.9	N50 P51	N50-V53 HydrophobicContact CB-CG2 4.18Å; N50-V53 PolarHBondContact O-N 2.78Å; P51-V53 VanDerWaalsContact C-N 3.26Å; P51-V53 PolarHBondContact O-N 3.26Å
54	M	68.1	Low	74.7	Confident	147 Å²	147	114.3 Å²	114.3	72%	0.724	64%	0.639	S	S	*	*	H	α-helix	trans	-91.5	-16.3	-174.4	-154.6	177	79.4	0	0	113.8	L49	L49-M54 HydrophobicContact CD2-CG 4.09Å; L49-M54 HydrophobicContact CD2-SD 3.25Å; L49-M54 WeakPolarHBondContact CD2-SD 3.25Å
55	G	70.5	Confident	74.9	Confident	41 Å²	41	112.1 Å²	112.1	42%	0.423	64%	0.638	S	S	.	*	S	Bend	trans	-106.4	141.5	-179.1	0	0	0	0	0	113	L57	G55-L57 PolarHBondContact O-N 2.92Å
56	G	75.7	Confident	75.4	Confident	86 Å²	86	113.8 Å²	113.8	89%	0.887	64%	0.64	S	S	*	*	S	Bend	trans	-69	-13.9	174.6	0	0	0	0	0	114.4
57	L	76.9	Confident	75.8	Confident	148 Å²	148	110.7 Å²	110.7	78%	0.775	62%	0.62	S	S	*	*	S	Bend	trans	-121.5	135.2	170.2	-90.1	77	0	0	0	109.5	G55 N59	G55-L57 PolarHBondContact O-N 2.92Å; L57-N59 PolarHBondContact O-N 3.31Å
58	P	74.9	Confident	76.4	Confident	108 Å²	108	109.5 Å²	109.5	70%	0.701	62%	0.619	S	S	*	*			trans	-66.6	103.6	171.7	27.6	-31.9	0	0	0	109
59	N	75	Confident	77.3	Confident	127 Å²	127	107.2 Å²	107.2	68%	0.679	61%	0.606	S	S	*	*			trans	-78.2	124.4	169.6	-169.2	1.6	0	0	0	107.8	L57 M61	L57-N59 PolarHBondContact O-N 3.31Å; N59-M61 PolarHBondContact O-N 3.3Å
60	P	77.3	Confident	78.2	Confident	100 Å²	100	106.5 Å²	106.5	65%	0.649	60%	0.6	S	S	*	*			trans	-53	128.2	172.7	22.3	-34.2	0	0	0	109.6	K62	P60-K62 PolarHBondContact O-N 2.97Å
61	M	69.6	Low	79.2	Confident	163 Å²	163	110.1 Å²	110.1	80%	0.803	61%	0.607	S	S	*	*			trans	-65.2	96.1	179.3	-164.9	174	84.5	0	0	108.6	N59 T63	N59-M61 PolarHBondContact O-N 3.3Å; M61-T63 PolarHBondContact O-N 3.37Å
62	K	78.8	Confident	80.2	Confident	94 Å²	94	107.3 Å²	107.3	41%	0.409	60%	0.595	S	S	.	*			trans	-65.2	126.5	172.6	-74	-175.4	172.4	173.6	0	108.3	P60 Q66 E70	P60-K62 PolarHBondContact O-N 2.97Å; K62-Q66 HydrophobicContact CB-CB 4.32Å; K62-E70 IonicContact NZ-OE1 3.55Å; K62-E70 PolarHBondContact NZ-OE1 3.31Å; K62-E70 IonicContact NZ-OE2 3.22Å; K62-E70 PolarHBondContact NZ-OE2 3.37Å
63	T	87.2	Confident	81.2	Confident	76 Å²	76	108.7 Å²	108.7	47%	0.466	60%	0.597	S	S	.	*			trans	-56.1	148.7	172.2	-49.3	0	0	0	0	109.8	M61 D65 Q66 K67	M61-T63 PolarHBondContact O-N 3.37Å; T63-D65 HydrophobicContact CG2-CB 4.32Å; T63-D65 PolarHBondContact O-N 2.79Å; T63-D65 VanDerWaalsContact O-N 3.13Å; T63-Q66 WeakPolarHBondContact O-CA 3.41Å; T63-Q66 WeakPolarHBondContact O-CB 3.38Å; T63-Q66 PolarHBondContact O-N 3.11Å; T63-K67 PolarHBondContact O-N 3.5Å; T63-K67 VanDerWaalsContact O-N 3.1Å
64	D	85.6	Confident	82.2	Confident	120 Å²	120	108.7 Å²	108.7	64%	0.642	59%	0.589	S	S	*	*	H	α-helix	trans	-53.8	-35.6	178.4	-70.8	-43.3	0	0	0	112.3	Q66 K67 M68	D64-Q66 PolarHBondContact O-N 2.87Å; D64-K67 WeakPolarHBondContact O-CB 3.49Å; D64-K67 PolarHBondContact O-N 3.47Å; D64-M68 WeakPolarHBondContact O-CG 3.06Å; D64-M68 PolarHBondContact O-N 3.1Å
65	D	88.9	Confident	83.4	Confident	108 Å²	108	103.9 Å²	103.9	58%	0.578	57%	0.569	S	S	*	*	H	α-helix	trans	-59.7	-43.4	173.5	-60.3	-28.3	0	0	0	112.6	T63 K67 M68 I69	T63-D65 HydrophobicContact CG2-CB 4.32Å; T63-D65 PolarHBondContact O-N 2.79Å; T63-D65 VanDerWaalsContact O-N 3.13Å; D65-K67 VanDerWaalsContact C-N 3.32Å; D65-K67 PolarHBondContact O-N 3.38Å; D65-M68 PolarHBondContact O-N 3.39Å; D65-I69 VanDerWaalsContact O-CG1 3.3Å; D65-I69 WeakPolarHBondContact O-CG1 3.03Å; D65-I69 PolarHBondContact O-N 3.47Å
66	Q	88.6	Confident	84.5	Confident	106 Å²	106	103.5 Å²	103.5	50%	0.495	56%	0.56	S	S	.	*	H	α-helix	trans	-66.5	-37.8	178.1	-66.3	-176	-7.9	0	0	111.2	K62 T63 D64 M68 I69 E70	K62-Q66 HydrophobicContact CB-CB 4.32Å; T63-Q66 WeakPolarHBondContact O-CA 3.41Å; T63-Q66 WeakPolarHBondContact O-CB 3.38Å; T63-Q66 PolarHBondContact O-N 3.11Å; D64-Q66 PolarHBondContact O-N 2.87Å; Q66-M68 VanDerWaalsContact C-N 3.35Å; Q66-I69 PolarHBondContact O-N 3.04Å; Q66-E70 WeakPolarHBondContact O-CB 3.31Å; Q66-E70 PolarHBondContact O-N 2.98Å
67	K	86.8	Confident	85.4	Confident	99 Å²	99	102.7 Å²	102.7	43%	0.43	55%	0.545	S	S	.	.	H	α-helix	trans	-66.6	-37.5	176.8	-170.2	177.9	-176.1	178	0	111.8	T63 D64 D65 R71	T63-K67 PolarHBondContact O-N 3.5Å; T63-K67 VanDerWaalsContact O-N 3.1Å; D64-K67 WeakPolarHBondContact O-CB 3.49Å; D64-K67 PolarHBondContact O-N 3.47Å; D65-K67 VanDerWaalsContact C-N 3.32Å; D65-K67 PolarHBondContact O-N 3.38Å; K67-R71 WeakPolarHBondContact O-CB 3.44Å; K67-R71 VanDerWaalsContact O-CG 3.26Å; K67-R71 WeakPolarHBondContact O-CG 3.4Å; K67-R71 PolarHBondContact O-N 2.89Å; K67-R71 VanDerWaalsContact O-N 3.13Å
68	M	88.6	Confident	86.3	Confident	138 Å²	138	99.4 Å²	99.4	68%	0.68	52%	0.524	S	S	*	.	H	α-helix	trans	-66	-42	173.9	-73	-178	61.7	0	0	111.8	D64 D65 Q66 G72	D64-M68 WeakPolarHBondContact O-CG 3.06Å; D64-M68 PolarHBondContact O-N 3.1Å; D65-M68 PolarHBondContact O-N 3.39Å; Q66-M68 VanDerWaalsContact C-N 3.35Å; M68-G72 PolarHBondContact O-N 2.92Å
69	I	90.6	Very high	87.2	Confident	110 Å²	110	97.7 Å²	97.7	56%	0.564	51%	0.506	S	S	*	.	H	α-helix	trans	-64.1	-47	177.5	-68.2	165.8	0	0	0	111.2	D65 Q66 R71 G72 M73	D65-I69 VanDerWaalsContact O-CG1 3.3Å; D65-I69 WeakPolarHBondContact O-CG1 3.03Å; D65-I69 PolarHBondContact O-N 3.47Å; Q66-I69 PolarHBondContact O-N 3.04Å; I69-R71 PolarHBondContact O-N 3.5Å; I69-G72 WeakPolarHBondContact O-CA 3.39Å; I69-G72 PolarHBondContact O-N 3.01Å; I69-G72 VanDerWaalsContact O-N 3.08Å; I69-M73 HydrophobicContact CG2-CG 4.48Å; I69-M73 HydrophobicContact CG2-SD 4.1Å; I69-M73 WeakPolarHBondContact O-CG 3.48Å; I69-M73 PolarHBondContact O-N 3.48Å
70	E	88.7	Confident	88.2	Confident	77 Å²	77	92.1 Å²	92.1	36%	0.36	48%	0.477	S	S	.	.	H	α-helix	trans	-60	-46.6	179.2	-174.4	169.6	-153.1	0	0	111.5	K62 Q66 G72 M73 E74	K62-E70 IonicContact NZ-OE1 3.55Å; K62-E70 PolarHBondContact NZ-OE1 3.31Å; K62-E70 IonicContact NZ-OE2 3.22Å; K62-E70 PolarHBondContact NZ-OE2 3.37Å; Q66-E70 WeakPolarHBondContact O-CB 3.31Å; Q66-E70 PolarHBondContact O-N 2.98Å; E70-G72 VanDerWaalsContact C-N 3.27Å; E70-G72 PolarHBondContact O-N 2.87Å; E70-M73 PolarHBondContact O-N 3.28Å; E70-M73 VanDerWaalsContact O-N 3.16Å; E70-E74 WeakPolarHBondContact O-CG 3.47Å; E70-E74 PolarHBondContact O-N 3.39Å
71	R	88.1	Confident	89.1	Confident	166 Å²	166	91.6 Å²	91.6	63%	0.626	47%	0.472	S	S	*	.	H	α-helix	trans	-60.5	-36.8	173.6	-74.1	174.8	171.8	-170.6	-5.3	112.7	K67 I69 S75	K67-R71 WeakPolarHBondContact O-CB 3.44Å; K67-R71 VanDerWaalsContact O-CG 3.26Å; K67-R71 WeakPolarHBondContact O-CG 3.4Å; K67-R71 PolarHBondContact O-N 2.89Å; K67-R71 VanDerWaalsContact O-N 3.13Å; I69-R71 PolarHBondContact O-N 3.5Å; R71-S75 PolarHBondContact O-N 3.48Å
72	G	88.8	Confident	90.4	Very high	33 Å²	33	88.5 Å²	88.5	34%	0.34	46%	0.458	S	S	.	.	H	α-helix	trans	-63.3	-45.1	174.9	0	0	0	0	0	111.9	M68 I69 E70 S75 F78	M68-G72 PolarHBondContact O-N 2.92Å; I69-G72 WeakPolarHBondContact O-CA 3.39Å; I69-G72 PolarHBondContact O-N 3.01Å; I69-G72 VanDerWaalsContact O-N 3.08Å; E70-G72 VanDerWaalsContact C-N 3.27Å; E70-G72 PolarHBondContact O-N 2.87Å; G72-S75 VanDerWaalsContact O-CB 3.29Å; G72-S75 WeakPolarHBondContact O-CB 3.5Å; G72-S75 PolarHBondContact O-N 2.93Å; G72-S75 PolarHBondContact O-OG 2.85Å; G72-F78 WeakPolarHBondContact O-CB 3.25Å
73	M	88.9	Confident	91.2	Very high	108 Å²	108	85.3 Å²	85.3	53%	0.532	45%	0.45	S	S	.	.	H	α-helix	trans	-70.2	-31.1	-179.4	-69.2	-179.1	66.2	0	0	113.3	I69 E70 S75 F78	I69-M73 HydrophobicContact CG2-CG 4.48Å; I69-M73 HydrophobicContact CG2-SD 4.1Å; I69-M73 WeakPolarHBondContact O-CG 3.48Å; I69-M73 PolarHBondContact O-N 3.48Å; E70-M73 PolarHBondContact O-N 3.28Å; E70-M73 VanDerWaalsContact O-N 3.16Å; M73-S75 VanDerWaalsContact C-N 3.27Å; M73-F78 HydrophobicContact CB-CD1 4.25Å; M73-F78 HydrophobicContact CB-CE1 4.17Å; M73-F78 HydrophobicContact CG-CD1 4.38Å; M73-F78 HydrophobicContact CG-CE1 3.93Å; M73-F78 HydrophobicContact CG-CZ 4.32Å; M73-F78 WeakPolarHBondContact O-CD1 3.42Å
74	E	88.3	Confident	91.6	Very high	128 Å²	128	83.9 Å²	83.9	60%	0.598	44%	0.442	S	S	*	.	H	α-helix	trans	-78.1	-12.8	174.8	-69.9	-174.6	154.8	0	0	113.2	E70	E70-E74 WeakPolarHBondContact O-CG 3.47Å; E70-E74 PolarHBondContact O-N 3.39Å
75	S	93.6	Very high	92.2	Very high	46 Å²	46	82.2 Å²	82.2	32%	0.322	44%	0.436	S	S	.	.	S	Bend	trans	-64.4	140.6	-178.9	76.3	0	0	0	0	112.3	R71 G72 M73 A77 F78 K79	R71-S75 PolarHBondContact O-N 3.48Å; G72-S75 VanDerWaalsContact O-CB 3.29Å; G72-S75 WeakPolarHBondContact O-CB 3.5Å; G72-S75 PolarHBondContact O-N 2.93Å; G72-S75 PolarHBondContact O-OG 2.85Å; M73-S75 VanDerWaalsContact C-N 3.27Å; S75-A77 PolarHBondContact O-N 2.78Å; S75-F78 PolarHBondContact O-N 3.14Å; S75-F78 VanDerWaalsContact O-N 3.14Å; S75-F78 VanDerWaalsContact OG-CB 3.29Å; S75-F78 WeakPolarHBondContact OG-CB 3.26Å; S75-F78 PolarHBondContact OG-N 3.34Å; S75-K79 PolarHBondContact O-N 2.76Å; S75-K79 VanDerWaalsContact O-N 3.08Å
76	C	94.1	Very high	92.6	Very high	33 Å²	33	78.6 Å²	78.6	22%	0.223	42%	0.424	C	S	.	.	H	α-helix	trans	-59.8	-33.1	177	-57.1	0	0	0	0	112.4	A80 C148	C76-A80 WeakPolarHBondContact O-CB 3.45Å; C76-A80 PolarHBondContact O-N 2.91Å; C76-C148 WeakPolarHBondContact CA-SG 3.42Å; C76-C148 HydrophobicContact CB-CB 3.63Å; C76-C148 WeakPolarHBondContact CB-SG 3.34Å; C76-C148 WeakPolarHBondContact SG-CB 3.44Å; C76-C148 CovalentContact SG-SG 2.04Å; C76-C148 PolarHBondContact SG-SG 3.4Å
77	A	94.6	Very high	92.9	Very high	68 Å²	68	74.1 Å²	74.1	56%	0.562	41%	0.406	S	S	*	.	H	α-helix	trans	-63.4	-45.8	176.7	0	0	0	0	0	111.5	S75 A80 V81	S75-A77 PolarHBondContact O-N 2.78Å; A77-A80 PolarHBondContact O-N 3.39Å; A77-V81 VanDerWaalsContact O-CG2 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.35Å; A77-V81 PolarHBondContact O-N 2.9Å
78	F	94.6	Very high	93.4	Very high	80 Å²	80	73.3 Å²	73.3	35%	0.351	40%	0.403	S	S	.	.	H	α-helix	trans	-66.4	-46.1	179.3	-176.6	-101.5	0	0	0	111.9	G72 M73 S75 A80 V81 L82	G72-F78 WeakPolarHBondContact O-CB 3.25Å; M73-F78 HydrophobicContact CB-CD1 4.25Å; M73-F78 HydrophobicContact CB-CE1 4.17Å; M73-F78 HydrophobicContact CG-CD1 4.38Å; M73-F78 HydrophobicContact CG-CE1 3.93Å; M73-F78 HydrophobicContact CG-CZ 4.32Å; M73-F78 WeakPolarHBondContact O-CD1 3.42Å; S75-F78 PolarHBondContact O-N 3.14Å; S75-F78 VanDerWaalsContact O-N 3.14Å; S75-F78 VanDerWaalsContact OG-CB 3.29Å; S75-F78 WeakPolarHBondContact OG-CB 3.26Å; S75-F78 PolarHBondContact OG-N 3.34Å; F78-A80 VanDerWaalsContact C-N 3.29Å; F78-A80 PolarHBondContact O-N 3.34Å; F78-V81 PolarHBondContact O-N 2.87Å; F78-L82 HydrophobicContact CD1-CD1 3.81Å; F78-L82 HydrophobicContact CD1-CG 4.32Å; F78-L82 HydrophobicContact CE1-CD1 3.28Å; F78-L82 HydrophobicContact CE1-CG 3.96Å; F78-L82 HydrophobicContact CZ-CD1 3.78Å; F78-L82 HydrophobicContact CZ-CD2 4.32Å; F78-L82 HydrophobicContact CZ-CG 4.09Å; F78-L82 PolarHBondContact O-N 3.47Å
79	K	95	Very high	93.8	Very high	72 Å²	72	71.2 Å²	71.2	31%	0.313	40%	0.397	S	S	.	.	H	α-helix	trans	-56.6	-44	174.9	-71.4	-176.6	175.7	178.5	0	111.7	S75 L82 A83 S144 E151	S75-K79 PolarHBondContact O-N 2.76Å; S75-K79 VanDerWaalsContact O-N 3.08Å; K79-L82 PolarHBondContact O-N 3.48Å; K79-A83 WeakPolarHBondContact O-CB 3.26Å; K79-A83 PolarHBondContact O-N 3.5Å; K79-S144 PolarHBondContact O-OG 2.91Å; K79-E151 IonicContact NZ-OE2 2.78Å
80	A	95.8	Very high	94.1	Very high	9 Å²	9	72 Å²	72	7%	0.074	40%	0.402	C	S	.	.	H	α-helix	trans	-66	-39	178.1	0	0	0	0	0	113.3	C76 A77 F78 A83 C84 C145	C76-A80 WeakPolarHBondContact O-CB 3.45Å; C76-A80 PolarHBondContact O-N 2.91Å; A77-A80 PolarHBondContact O-N 3.39Å; F78-A80 VanDerWaalsContact C-N 3.29Å; F78-A80 PolarHBondContact O-N 3.34Å; A80-A83 PolarHBondContact O-N 2.91Å; A80-C84 WeakPolarHBondContact O-CB 3.38Å; A80-C84 PolarHBondContact O-N 2.76Å; A80-C145 HydrophobicContact CB-CB 4.39Å; A80-C145 WeakPolarHBondContact CB-SG 3.18Å
81	V	96.6	Very high	94.3	Very high	89 Å²	89	68.4 Å²	68.4	54%	0.539	39%	0.385	S	S	.	.	H	α-helix	trans	-64.4	-44.3	174.7	169.5	0	0	0	0	110.6	A77 F78 A83 C84 V85	A77-V81 VanDerWaalsContact O-CG2 3.3Å; A77-V81 WeakPolarHBondContact O-CG2 3.35Å; A77-V81 PolarHBondContact O-N 2.9Å; F78-V81 PolarHBondContact O-N 2.87Å; V81-A83 PolarHBondContact O-N 3.49Å; V81-C84 WeakPolarHBondContact O-CB 3.24Å; V81-C84 PolarHBondContact O-N 3.07Å; V81-V85 WeakPolarHBondContact O-CG2 3.17Å; V81-V85 PolarHBondContact O-N 3.45Å
82	L	95.8	Very high	94.6	Very high	98 Å²	98	61.2 Å²	61.2	51%	0.513	36%	0.363	S	S	.	.	H	α-helix	trans	-60.3	-45.9	175.4	-74.7	179.8	0	0	0	111.8	F78 K79 C84 V85 G86	F78-L82 HydrophobicContact CD1-CD1 3.81Å; F78-L82 HydrophobicContact CD1-CG 4.32Å; F78-L82 HydrophobicContact CE1-CD1 3.28Å; F78-L82 HydrophobicContact CE1-CG 3.96Å; F78-L82 HydrophobicContact CZ-CD1 3.78Å; F78-L82 HydrophobicContact CZ-CD2 4.32Å; F78-L82 HydrophobicContact CZ-CG 4.09Å; F78-L82 PolarHBondContact O-N 3.47Å; K79-L82 PolarHBondContact O-N 3.48Å; L82-C84 VanDerWaalsContact C-N 3.32Å; L82-C84 PolarHBondContact O-N 2.74Å; L82-V85 PolarHBondContact O-N 3.31Å; L82-G86 PolarHBondContact O-N 3.41Å
83	A	96.1	Very high	94.9	Very high	28 Å²	28	62.8 Å²	62.8	23%	0.231	37%	0.373	C	S	.	.	H	α-helix	trans	-64.4	-36.5	176.3	0	0	0	0	0	112.4	K79 A80 V81 G87 G140	K79-A83 WeakPolarHBondContact O-CB 3.26Å; K79-A83 PolarHBondContact O-N 3.5Å; A80-A83 PolarHBondContact O-N 2.91Å; V81-A83 PolarHBondContact O-N 3.49Å; A83-G87 PolarHBondContact O-N 3.35Å; A83-G140 WeakPolarHBondContact CB-O 3.17Å
84	C	96.5	Very high	95.1	Very high	45 Å²	45	63 Å²	63	30%	0.304	37%	0.371	S	S	.	.	H	α-helix	trans	-62	-49.8	175.1	-174	0	0	0	0	111.2	A80 V81 L82 G87 F88 A137 A141	A80-C84 WeakPolarHBondContact O-CB 3.38Å; A80-C84 PolarHBondContact O-N 2.76Å; V81-C84 WeakPolarHBondContact O-CB 3.24Å; V81-C84 PolarHBondContact O-N 3.07Å; L82-C84 VanDerWaalsContact C-N 3.32Å; L82-C84 PolarHBondContact O-N 2.74Å; C84-G87 PolarHBondContact O-N 2.81Å; C84-F88 WeakPolarHBondContact O-CB 3.32Å; C84-F88 PolarHBondContact O-N 2.99Å; C84-A137 WeakPolarHBondContact O-CB 3.37Å; C84-A141 HydrophobicContact CB-CB 3.94Å
85	V	97.4	Very high	95.2	Very high	86 Å²	86	57 Å²	57	52%	0.521	34%	0.343	S	S	.	.	H	α-helix	trans	-64.9	-44.3	178.5	174.3	0	0	0	0	110.6	V81 L82 G87 F88 V89	V81-V85 WeakPolarHBondContact O-CG2 3.17Å; V81-V85 PolarHBondContact O-N 3.45Å; L82-V85 PolarHBondContact O-N 3.31Å; V85-G87 PolarHBondContact O-N 3.41Å; V85-F88 WeakPolarHBondContact O-CB 3.42Å; V85-F88 PolarHBondContact O-N 3.34Å; V85-V89 WeakPolarHBondContact O-CG2 3.23Å; V85-V89 PolarHBondContact O-N 2.87Å
86	G	97	Very high	95.1	Very high	32 Å²	32	58.1 Å²	58.1	33%	0.33	35%	0.348	S	S	.	.	H	α-helix	trans	-59.1	-47.1	175.4	0	0	0	0	0	112.2	L82 F88 V89 L90	L82-G86 PolarHBondContact O-N 3.41Å; G86-F88 VanDerWaalsContact C-N 3.34Å; G86-F88 PolarHBondContact O-N 2.95Å; G86-V89 PolarHBondContact O-N 3.19Å; G86-L90 WeakPolarHBondContact O-CB 3.26Å; G86-L90 WeakPolarHBondContact O-CG 3.25Å; G86-L90 PolarHBondContact O-N 3.42Å
87	G	95.9	Very high	94.9	Very high	11 Å²	11	63 Å²	63	11%	0.113	37%	0.366	C	S	.	.	H	α-helix	trans	-62.8	-37.8	175.2	0	0	0	0	0	113	A83 C84 V85 G91 F136	A83-G87 PolarHBondContact O-N 3.35Å; C84-G87 PolarHBondContact O-N 2.81Å; V85-G87 PolarHBondContact O-N 3.41Å; G87-G91 WeakPolarHBondContact O-CA 3.47Å; G87-G91 PolarHBondContact O-N 3.42Å; G87-F136 WeakPolarHBondContact O-CB 3.47Å
88	F	97.2	Very high	94.6	Very high	83 Å²	83	61.6 Å²	61.6	36%	0.364	35%	0.35	S	S	.	.	H	α-helix	trans	-63.6	-47.3	176.5	-174.4	-91.1	0	0	0	111.8	C84 V85 G86 G92 M130 A133 A137	C84-F88 WeakPolarHBondContact O-CB 3.32Å; C84-F88 PolarHBondContact O-N 2.99Å; V85-F88 WeakPolarHBondContact O-CB 3.42Å; V85-F88 PolarHBondContact O-N 3.34Å; G86-F88 VanDerWaalsContact C-N 3.34Å; G86-F88 PolarHBondContact O-N 2.95Å; F88-G92 PolarHBondContact O-N 2.67Å; F88-M130 HydrophobicContact CE2-SD 3.89Å; F88-M130 HydrophobicContact CZ-CE 4.35Å; F88-M130 HydrophobicContact CZ-SD 3.72Å; F88-A133 HydrophobicContact CD1-CB 4.37Å; F88-A133 HydrophobicContact CD2-CB 3.54Å; F88-A133 HydrophobicContact CE1-CB 4.34Å; F88-A133 HydrophobicContact CE2-CB 3.5Å; F88-A133 VanDerWaalsContact CE2-CB 3.5Å; F88-A133 HydrophobicContact CG-CB 3.99Å; F88-A133 HydrophobicContact CZ-CB 3.92Å; F88-A133 WeakPolarHBondContact O-CB 3.48Å; F88-A137 HydrophobicContact CB-CB 3.94Å; F88-A137 HydrophobicContact CD2-CB 4.33Å
89	V	96.9	Very high	94.2	Very high	93 Å²	93	57.9 Å²	57.9	56%	0.564	33%	0.334	S	S	*	.	H	α-helix	trans	-65.1	-48.1	179.8	173.8	0	0	0	0	110.7	V85 G86 G92 A93	V85-V89 WeakPolarHBondContact O-CG2 3.23Å; V85-V89 PolarHBondContact O-N 2.87Å; G86-V89 PolarHBondContact O-N 3.19Å; V89-G92 PolarHBondContact O-N 3.37Å; V89-A93 WeakPolarHBondContact O-CB 3.37Å; V89-A93 PolarHBondContact O-N 2.99Å
90	L	95.3	Very high	93.7	Very high	128 Å²	128	56.8 Å²	56.8	67%	0.67	34%	0.343	S	S	*	.	H	α-helix	trans	-64	-44.4	178.9	-69.5	173.4	0	0	0	111.8	G86 A93 F94	G86-L90 WeakPolarHBondContact O-CB 3.26Å; G86-L90 WeakPolarHBondContact O-CG 3.25Å; G86-L90 PolarHBondContact O-N 3.42Å; L90-A93 PolarHBondContact O-N 3.06Å; L90-F94 VanDerWaalsContact O-CB 3.29Å; L90-F94 WeakPolarHBondContact O-CB 3.42Å; L90-F94 PolarHBondContact O-N 2.85Å
91	G	94.5	Very high	93.2	Very high	0 Å²	0	61.8 Å²	61.8	0%	0	37%	0.368	C	S	.	.	H	α-helix	trans	-67.4	-34.9	177.7	0	0	0	0	0	113.1	G87 G95 Y132	G87-G91 WeakPolarHBondContact O-CA 3.47Å; G87-G91 PolarHBondContact O-N 3.42Å; G91-G95 WeakPolarHBondContact O-CA 3.34Å; G91-G95 PolarHBondContact O-N 3.44Å; G91-Y132 WeakPolarHBondContact O-CB 3.14Å
92	G	94.6	Very high	92.3	Very high	16 Å²	16	60.3 Å²	60.3	17%	0.165	36%	0.356	C	S	.	.	H	α-helix	trans	-67.2	-46.8	174.5	0	0	0	0	0	112.1	F88 V89 G95 V96	F88-G92 PolarHBondContact O-N 2.67Å; V89-G92 PolarHBondContact O-N 3.37Å; G92-G95 PolarHBondContact O-N 2.88Å; G92-V96 WeakPolarHBondContact O-CG2 3.33Å; G92-V96 PolarHBondContact O-N 3.19Å
93	A	93.8	Very high	90.9	Very high	65 Å²	65	61.1 Å²	61.1	54%	0.537	37%	0.366	S	S	.	.	H	α-helix	trans	-61	-47.8	175.7	0	0	0	0	0	111.3	V89 L90 G95 V96 F97	V89-A93 WeakPolarHBondContact O-CB 3.37Å; V89-A93 PolarHBondContact O-N 2.99Å; L90-A93 PolarHBondContact O-N 3.06Å; A93-G95 VanDerWaalsContact C-N 3.31Å; A93-G95 PolarHBondContact O-N 2.83Å; A93-V96 PolarHBondContact O-N 2.71Å; A93-F97 WeakPolarHBondContact O-CB 3.36Å; A93-F97 PolarHBondContact O-N 3.36Å
94	F	93.1	Very high	89.4	Confident	114 Å²	114	64.9 Å²	64.9	50%	0.5	38%	0.382	S	S	.	.	H	α-helix	trans	-61.5	-39.5	175.9	-178.3	-104.4	0	0	0	112.2	L90 T98 F136	L90-F94 VanDerWaalsContact O-CB 3.29Å; L90-F94 WeakPolarHBondContact O-CB 3.42Å; L90-F94 PolarHBondContact O-N 2.85Å; F94-T98 WeakPolarHBondContact O-CB 3.39Å; F94-T98 PolarHBondContact O-N 3.2Å; F94-T98 PolarHBondContact O-OG1 3.36Å; F94-F136 HydrophobicContact CD1-CE2 4.11Å; F94-F136 HydrophobicContact CD1-CZ 4.35Å
95	G	91.7	Very high	87.8	Confident	0 Å²	0	64.1 Å²	64.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-69.8	-40.3	-179.7	0	0	0	0	0	113.8	G91 G92 A93 A99	G91-G95 WeakPolarHBondContact O-CA 3.34Å; G91-G95 PolarHBondContact O-N 3.44Å; G92-G95 PolarHBondContact O-N 2.88Å; A93-G95 VanDerWaalsContact C-N 3.31Å; A93-G95 PolarHBondContact O-N 2.83Å; G95-A99 WeakPolarHBondContact O-CB 3.37Å; G95-A99 PolarHBondContact O-N 2.92Å
96	V	89.8	Confident	85.8	Confident	70 Å²	70	61.7 Å²	61.7	42%	0.424	37%	0.368	S	S	.	.	H	α-helix	trans	-68.2	-41.8	174.5	173.2	0	0	0	0	110.6	G92 A93 A99 G100 M125	G92-V96 WeakPolarHBondContact O-CG2 3.33Å; G92-V96 PolarHBondContact O-N 3.19Å; A93-V96 PolarHBondContact O-N 2.71Å; V96-A99 PolarHBondContact O-N 3.48Å; V96-G100 PolarHBondContact O-N 3.39Å; V96-M125 HydrophobicContact CG1-CE 4.44Å
97	F	90.3	Very high	83.9	Confident	137 Å²	137	67.7 Å²	67.7	60%	0.601	39%	0.385	S	S	*	.	H	α-helix	trans	-60.3	-46.9	175.3	179.5	-99.8	0	0	0	111.6	A93 A99 G100 I101	A93-F97 WeakPolarHBondContact O-CB 3.36Å; A93-F97 PolarHBondContact O-N 3.36Å; F97-A99 VanDerWaalsContact C-N 3.33Å; F97-A99 PolarHBondContact O-N 2.97Å; F97-G100 PolarHBondContact O-N 2.91Å; F97-I101 HydrophobicContact CZ-CG2 4.45Å; F97-I101 PolarHBondContact O-N 2.94Å
98	T	89	Confident	82.1	Confident	37 Å²	37	72.5 Å²	72.5	23%	0.227	41%	0.408	C	S	.	.	H	α-helix	trans	-64.5	-37.1	177.9	-56.1	0	0	0	0	111.9	F94 G100 I101 D102	F94-T98 WeakPolarHBondContact O-CB 3.39Å; F94-T98 PolarHBondContact O-N 3.2Å; F94-T98 PolarHBondContact O-OG1 3.36Å; T98-G100 VanDerWaalsContact C-N 3.26Å; T98-G100 PolarHBondContact O-N 3.47Å; T98-I101 WeakPolarHBondContact O-CG1 3.27Å; T98-D102 PolarHBondContact O-N 2.92Å
99	A	86.5	Confident	80.3	Confident	3 Å²	3	74.9 Å²	74.9	3%	0.025	43%	0.432	C	S	.	.	H	α-helix	trans	-68.5	-26.3	174.2	0	0	0	0	0	112.6	G95 V96 F97 D102 V105 M125 R128	G95-A99 WeakPolarHBondContact O-CB 3.37Å; G95-A99 PolarHBondContact O-N 2.92Å; V96-A99 PolarHBondContact O-N 3.48Å; F97-A99 VanDerWaalsContact C-N 3.33Å; F97-A99 PolarHBondContact O-N 2.97Å; A99-D102 PolarHBondContact O-N 3.4Å; A99-V105 WeakPolarHBondContact O-CG1 3.17Å; A99-M125 HydrophobicContact CB-CB 4.03Å; A99-M125 HydrophobicContact CB-CE 4.28Å; A99-M125 HydrophobicContact CB-CG 3.94Å; A99-R128 HydrophobicContact CB-CB 4.37Å
100	G	84.1	Confident	78.4	Confident	49 Å²	49	79.1 Å²	79.1	51%	0.505	44%	0.443	S	S	.	.	H	α-helix	trans	-77.5	-24.1	-179.8	0	0	0	0	0	114	V96 F97 T98	V96-G100 PolarHBondContact O-N 3.39Å; F97-G100 PolarHBondContact O-N 2.91Å; T98-G100 VanDerWaalsContact C-N 3.26Å; T98-G100 PolarHBondContact O-N 3.47Å
101	I	84.9	Confident	76.4	Confident	114 Å²	114	78 Å²	78	59%	0.585	44%	0.437	S	S	*	.	H	α-helix	trans	-88.3	-11.9	173.8	62.3	170.1	0	0	0	112.7	F97 T98 T103	F97-I101 HydrophobicContact CZ-CG2 4.45Å; F97-I101 PolarHBondContact O-N 2.94Å; T98-I101 WeakPolarHBondContact O-CG1 3.27Å; I101-T103 PolarHBondContact O-N 2.97Å
102	D	78.2	Confident	74.7	Confident	57 Å²	57	84 Å²	84	31%	0.305	48%	0.477	S	S	.	.			trans	-78.9	115.4	179.8	-169.3	-27.8	0	0	0	110	T98 A99 N104 V105 R128	T98-D102 PolarHBondContact O-N 2.92Å; A99-D102 PolarHBondContact O-N 3.4Å; D102-N104 PolarHBondContact O-N 3.06Å; D102-N104 VanDerWaalsContact OD1-CB 3.29Å; D102-N104 WeakPolarHBondContact OD1-CB 3.33Å; D102-N104 PolarHBondContact OD1-N 2.87Å; D102-V105 HydrophobicContact CB-CG1 4.31Å; D102-V105 WeakPolarHBondContact O-CG2 3.11Å; D102-R128 IonicContact OD2-NH1 3.48Å; D102-R128 PolarHBondContact OD2-NH1 2.9Å
103	T	65.5	Low	72.6	Confident	115 Å²	115	91.5 Å²	91.5	71%	0.706	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-5.6	-179.5	51	0	0	0	0	113.7	I101	I101-T103 PolarHBondContact O-N 2.97Å
104	N	65.6	Low	70.8	Confident	108 Å²	108	98.2 Å²	98.2	58%	0.578	52%	0.521	S	S	*	.	T	Hydrogen-bonded Turn	trans	-85.8	-1.8	175.8	-79.6	-90.4	0	0	0	113.9	D102 G106	D102-N104 PolarHBondContact O-N 3.06Å; D102-N104 VanDerWaalsContact OD1-CB 3.29Å; D102-N104 WeakPolarHBondContact OD1-CB 3.33Å; D102-N104 PolarHBondContact OD1-N 2.87Å; N104-G106 PolarHBondContact O-N 2.94Å
105	V	62.5	Low	69	Low	29 Å²	29	98.8 Å²	98.8	18%	0.176	53%	0.534	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.2	106.3	178.6	-61.4	0	0	0	0	110.6	A99 D102 V121	A99-V105 WeakPolarHBondContact O-CG1 3.17Å; D102-V105 HydrophobicContact CB-CG1 4.31Å; D102-V105 WeakPolarHBondContact O-CG2 3.11Å; V105-V121 HydrophobicContact CB-CG1 4.35Å; V105-V121 HydrophobicContact CG2-CG1 4.02Å
106	G	56.3	Low	67.6	Low	34 Å²	34	101.6 Å²	101.6	35%	0.351	55%	0.552	S	S	.	*	T	Hydrogen-bonded Turn	trans	102.8	7.7	172.9	0	0	0	0	0	117.1	N104 D108	N104-G106 PolarHBondContact O-N 2.94Å; G106-D108 PolarHBondContact O-N 3.45Å
107	F	56.8	Low	66.6	Low	158 Å²	158	101.8 Å²	101.8	69%	0.693	55%	0.554	S	S	*	*			trans	-87.9	93.4	166.1	-73.8	-76.8	0	0	0	110	P109	F107-P109 WeakPolarHBondContact O-CD 3.41Å
108	D	57.6	Low	65.7	Low	112 Å²	112	98.8 Å²	98.8	60%	0.599	55%	0.554	S	S	*	*			trans	-78.8	122.2	170.7	-145.1	-65.9	0	0	0	109.2	G106 K110 D111	G106-D108 PolarHBondContact O-N 3.45Å; D108-K110 PolarHBondContact O-N 2.99Å; D108-D111 PolarHBondContact O-N 3.32Å
109	P	58.5	Low	65.1	Low	133 Å²	133	106.9 Å²	106.9	86%	0.864	58%	0.58	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.5	-14.5	-177.5	-22.5	32	0	0	0	114.6	F107	F107-P109 WeakPolarHBondContact O-CD 3.41Å
110	K	58.1	Low	64.7	Low	183 Å²	183	112.4 Å²	112.4	80%	0.796	61%	0.606	S	S	*	*	T	Hydrogen-bonded Turn	trans	-88.2	-22.5	-176.9	-100.9	178.3	173.2	-179.9	0	114.8	D108	D108-K110 PolarHBondContact O-N 2.99Å
111	D	53.6	Low	64.4	Low	103 Å²	103	111.5 Å²	111.5	55%	0.551	59%	0.59	S	S	*	*			trans	-151	92.3	-178.1	-78.6	-54.8	0	0	0	112.3	D108 M113	D108-D111 PolarHBondContact O-N 3.32Å; D111-M113 PolarHBondContact O-N 2.86Å
112	P	57.6	Low	64.2	Low	127 Å²	127	111.9 Å²	111.9	83%	0.825	59%	0.593	S	S	*	*	T	Hydrogen-bonded Turn	trans	-72.2	3.3	-174.7	27.4	-33.6	0	0	0	115.4
113	M	51.3	Low	64.5	Low	174 Å²	174	116.8 Å²	116.8	86%	0.857	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	-119.3	0.6	-172.4	-117.1	-75.5	-77	0	0	114.2	D111 T115	D111-M113 PolarHBondContact O-N 2.86Å; M113-T115 PolarHBondContact O-N 3.32Å
114	R	55.7	Low	65.4	Low	205 Å²	205	113.7 Å²	113.7	77%	0.774	59%	0.59	S	S	*	*	S	Bend	trans	-85.1	111.6	169.3	-74.5	-139.6	123	97.1	2.1	108.9	P116	R114-P116 VanDerWaalsContact O-CD 3.29Å; R114-P116 WeakPolarHBondContact O-CD 3.08Å
115	T	56	Low	66.3	Low	127 Å²	127	110 Å²	110	78%	0.779	57%	0.57	S	S	*	*			trans	-52.4	114.6	162.6	49.4	0	0	0	0	107.4	M113 T117	M113-T115 PolarHBondContact O-N 3.32Å; T115-T117 PolarHBondContact O-N 2.91Å; T115-T117 VanDerWaalsContact O-N 3.16Å
116	P	61.7	Low	67.4	Low	58 Å²	58	110.2 Å²	110.2	38%	0.377	58%	0.578	S	S	.	*			trans	-60.3	126.5	-178	24.9	-33.2	0	0	0	107.4	R114 A118 V121	R114-P116 VanDerWaalsContact O-CD 3.29Å; R114-P116 WeakPolarHBondContact O-CD 3.08Å; P116-A118 PolarHBondContact O-N 3Å; P116-V121 HydrophobicContact CB-CG2 3.7Å; P116-V121 HydrophobicContact CG-CG2 3.99Å
117	T	69.9	Low	68.9	Low	75 Å²	75	115.1 Å²	115.1	46%	0.46	59%	0.592	S	S	.	*			trans	-59.8	136.7	-179.6	-51.7	0	0	0	0	107.2	T115 R119 E120 V121	T115-T117 PolarHBondContact O-N 2.91Å; T115-T117 VanDerWaalsContact O-N 3.16Å; T117-R119 HydrophobicContact CG2-CB 4.08Å; T117-R119 HydrophobicContact CG2-CG 4.46Å; T117-R119 PolarHBondContact O-N 2.73Å; T117-E120 WeakPolarHBondContact CB-OE2 3.23Å; T117-E120 PolarHBondContact N-OE2 3.02Å; T117-E120 WeakPolarHBondContact O-CA 3.31Å; T117-E120 WeakPolarHBondContact O-CB 3.43Å; T117-E120 PolarHBondContact O-N 3.49Å; T117-E120 PolarHBondContact OG1-OE2 3.34Å; T117-V121 PolarHBondContact O-N 2.97Å; T117-V121 VanDerWaalsContact O-N 3.15Å
118	A	70.9	Confident	70.3	Confident	73 Å²	73	111 Å²	111	60%	0.603	57%	0.572	S	S	*	*	H	α-helix	trans	-51.3	-28.6	178.2	0	0	0	0	0	112.7	P116 L122	P116-A118 PolarHBondContact O-N 3Å; A118-L122 VanDerWaalsContact O-CB 3.3Å; A118-L122 WeakPolarHBondContact O-CB 3.25Å; A118-L122 WeakPolarHBondContact O-CD1 3.33Å; A118-L122 WeakPolarHBondContact O-CG 3.4Å; A118-L122 PolarHBondContact O-N 2.92Å
119	R	75.1	Confident	72	Confident	208 Å²	208	105.9 Å²	105.9	79%	0.785	55%	0.545	S	S	*	.	H	α-helix	trans	-69.1	-36.2	173.3	-68.2	-174.7	172.4	-172.5	-1.9	114.4	T117 K123	T117-R119 HydrophobicContact CG2-CB 4.08Å; T117-R119 HydrophobicContact CG2-CG 4.46Å; T117-R119 PolarHBondContact O-N 2.73Å; R119-K123 VanDerWaalsContact O-CB 3.26Å; R119-K123 WeakPolarHBondContact O-CB 3.03Å; R119-K123 PolarHBondContact O-N 2.93Å
120	E	79.3	Confident	73.6	Confident	118 Å²	118	103.8 Å²	103.8	55%	0.551	53%	0.525	S	S	*	.	H	α-helix	trans	-72.2	-42.8	177.3	-74.5	162.3	154.1	0	0	110.5	T117 K123 D124	T117-E120 WeakPolarHBondContact CB-OE2 3.23Å; T117-E120 PolarHBondContact N-OE2 3.02Å; T117-E120 WeakPolarHBondContact O-CA 3.31Å; T117-E120 WeakPolarHBondContact O-CB 3.43Å; T117-E120 PolarHBondContact O-N 3.49Å; T117-E120 PolarHBondContact OG1-OE2 3.34Å; E120-K123 PolarHBondContact O-N 2.99Å; E120-D124 PolarHBondContact O-N 2.04Å
121	V	77.9	Confident	75.3	Confident	31 Å²	31	97.7 Å²	97.7	19%	0.188	51%	0.506	C	S	.	.	H	α-helix	trans	-60.9	-48.7	173.8	-177.1	0	0	0	0	110.6	V105 P116 T117 K123 D124 M125	V105-V121 HydrophobicContact CB-CG1 4.35Å; V105-V121 HydrophobicContact CG2-CG1 4.02Å; P116-V121 HydrophobicContact CB-CG2 3.7Å; P116-V121 HydrophobicContact CG-CG2 3.99Å; T117-V121 PolarHBondContact O-N 2.97Å; T117-V121 VanDerWaalsContact O-N 3.15Å; V121-K123 VanDerWaalsContact C-N 3.26Å; V121-K123 PolarHBondContact O-N 3.31Å; V121-D124 PolarHBondContact O-N 3.31Å; V121-M125 HydrophobicContact CG1-CG 4.23Å; V121-M125 HydrophobicContact CG1-SD 3.83Å; V121-M125 WeakPolarHBondContact O-CB 3.37Å; V121-M125 WeakPolarHBondContact O-CG 3.2Å; V121-M125 PolarHBondContact O-N 3.26Å
122	L	80.8	Confident	77.3	Confident	121 Å²	121	97.1 Å²	97.1	63%	0.634	50%	0.496	S	S	*	.	H	α-helix	trans	-59.3	-36.5	175.6	-88.8	159.8	0	0	0	112.7	A118 G126	A118-L122 VanDerWaalsContact O-CB 3.3Å; A118-L122 WeakPolarHBondContact O-CB 3.25Å; A118-L122 WeakPolarHBondContact O-CD1 3.33Å; A118-L122 WeakPolarHBondContact O-CG 3.4Å; A118-L122 PolarHBondContact O-N 2.92Å; L122-G126 PolarHBondContact O-N 2.97Å
123	K	84	Confident	79.1	Confident	161 Å²	161	91.1 Å²	91.1	70%	0.7	46%	0.458	S	S	*	.	H	α-helix	trans	-70.1	-42	178.1	-171	176.5	178.9	179.7	0	111.8	R119 E120 V121 G126 Q127	R119-K123 VanDerWaalsContact O-CB 3.26Å; R119-K123 WeakPolarHBondContact O-CB 3.03Å; R119-K123 PolarHBondContact O-N 2.93Å; E120-K123 PolarHBondContact O-N 2.99Å; V121-K123 VanDerWaalsContact C-N 3.26Å; V121-K123 PolarHBondContact O-N 3.31Å; K123-G126 PolarHBondContact O-N 3.44Å; K123-Q127 WeakPolarHBondContact O-CB 3.05Å; K123-Q127 PolarHBondContact O-N 2.95Å
124	D	83.4	Confident	81.2	Confident	49 Å²	49	88.9 Å²	88.9	26%	0.262	44%	0.443	S	S	.	.	H	α-helix	trans	-67.2	-45.3	176.3	-169.7	34.1	0	0	0	111.2	E120 V121 G126 Q127 R128	E120-D124 PolarHBondContact O-N 2.04Å; V121-D124 PolarHBondContact O-N 3.31Å; D124-G126 VanDerWaalsContact C-N 3.31Å; D124-G126 PolarHBondContact O-N 3.41Å; D124-Q127 PolarHBondContact O-N 3Å; D124-R128 WeakPolarHBondContact O-CG 3.26Å; D124-R128 PolarHBondContact O-N 3.09Å; D124-R128 IonicContact OD1-NE 2.78Å; D124-R128 IonicContact OD2-CZ 3.84Å; D124-R128 IonicContact OD2-NE 2.69Å; D124-R128 PolarHBondContact OD2-NE 3.06Å; D124-R128 IonicContact OD2-NH2 3.93Å; D124-R128 PolarHBondContact OD2-NH2 3.47Å
125	M	84.5	Confident	83.1	Confident	31 Å²	31	83.7 Å²	83.7	15%	0.153	43%	0.431	C	S	.	.	H	α-helix	trans	-58.5	-42.6	173.6	-67.6	178.1	77	0	0	111.8	V96 A99 V121 R128 G129	V96-M125 HydrophobicContact CG1-CE 4.44Å; A99-M125 HydrophobicContact CB-CB 4.03Å; A99-M125 HydrophobicContact CB-CE 4.28Å; A99-M125 HydrophobicContact CB-CG 3.94Å; V121-M125 HydrophobicContact CG1-CG 4.23Å; V121-M125 HydrophobicContact CG1-SD 3.83Å; V121-M125 WeakPolarHBondContact O-CB 3.37Å; V121-M125 WeakPolarHBondContact O-CG 3.2Å; V121-M125 PolarHBondContact O-N 3.26Å; M125-R128 PolarHBondContact O-N 3.4Å; M125-G129 PolarHBondContact O-N 3.37Å
126	G	86.6	Confident	85	Confident	33 Å²	33	81.8 Å²	81.8	34%	0.34	41%	0.412	S	S	.	.	H	α-helix	trans	-66	-39.1	176.6	0	0	0	0	0	112.8	L122 K123 D124 G129 M130	L122-G126 PolarHBondContact O-N 2.97Å; K123-G126 PolarHBondContact O-N 3.44Å; D124-G126 VanDerWaalsContact C-N 3.31Å; D124-G126 PolarHBondContact O-N 3.41Å; G126-G129 PolarHBondContact O-N 3.49Å; G126-M130 VanDerWaalsContact O-CB 3.25Å; G126-M130 WeakPolarHBondContact O-CB 3.24Å; G126-M130 PolarHBondContact O-N 3Å
127	Q	88.7	Confident	86.6	Confident	138 Å²	138	79.3 Å²	79.3	65%	0.645	40%	0.396	S	S	*	.	H	α-helix	trans	-65.1	-44.4	176.1	-173.9	-178.5	-48.8	0	0	111.4	K123 D124 M130 S131	K123-Q127 WeakPolarHBondContact O-CB 3.05Å; K123-Q127 PolarHBondContact O-N 2.95Å; D124-Q127 PolarHBondContact O-N 3Å; Q127-M130 PolarHBondContact O-N 3.37Å; Q127-S131 PolarHBondContact O-N 3.02Å; Q127-S131 VanDerWaalsContact O-N 3.14Å
128	R	86.4	Confident	87.8	Confident	72 Å²	72	79.3 Å²	79.3	27%	0.272	40%	0.396	S	S	.	.	H	α-helix	trans	-63.1	-47.6	174.3	-65.8	179	-165.4	-159.9	7.1	111	A99 D102 D124 M125 M130 S131 Y132	A99-R128 HydrophobicContact CB-CB 4.37Å; D102-R128 IonicContact OD2-NH1 3.48Å; D102-R128 PolarHBondContact OD2-NH1 2.9Å; D124-R128 WeakPolarHBondContact O-CG 3.26Å; D124-R128 PolarHBondContact O-N 3.09Å; D124-R128 IonicContact OD1-NE 2.78Å; D124-R128 IonicContact OD2-CZ 3.84Å; D124-R128 IonicContact OD2-NE 2.69Å; D124-R128 PolarHBondContact OD2-NE 3.06Å; D124-R128 IonicContact OD2-NH2 3.93Å; D124-R128 PolarHBondContact OD2-NH2 3.47Å; M125-R128 PolarHBondContact O-N 3.4Å; R128-M130 VanDerWaalsContact C-N 3.31Å; R128-M130 PolarHBondContact O-N 3.35Å; R128-S131 WeakPolarHBondContact O-CB 3.43Å; R128-S131 PolarHBondContact O-N 2.97Å; R128-S131 PolarHBondContact O-OG 3.06Å; R128-Y132 WeakPolarHBondContact O-CD2 3.44Å; R128-Y132 PolarHBondContact O-N 2.89Å; R128-Y132 VanDerWaalsContact O-N 3.15Å
129	G	91.6	Very high	88.9	Confident	3 Å²	3	78.2 Å²	78.2	3%	0.031	38%	0.38	C	S	.	.	H	α-helix	trans	-56.4	-42.3	175.5	0	0	0	0	0	113	M125 G126 S131 Y132 A133	M125-G129 PolarHBondContact O-N 3.37Å; G126-G129 PolarHBondContact O-N 3.49Å; G129-S131 VanDerWaalsContact C-N 3.31Å; G129-S131 PolarHBondContact O-N 3.31Å; G129-Y132 PolarHBondContact O-N 2.91Å; G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 3.47Å
130	M	93.2	Very high	89.9	Confident	89 Å²	89	69.3 Å²	69.3	44%	0.438	35%	0.352	S	S	.	.	H	α-helix	trans	-62.9	-36.4	176.1	-174.5	65.3	69.1	0	0	112.4	F88 G126 Q127 R128 K134	F88-M130 HydrophobicContact CE2-SD 3.89Å; F88-M130 HydrophobicContact CZ-CE 4.35Å; F88-M130 HydrophobicContact CZ-SD 3.72Å; G126-M130 VanDerWaalsContact O-CB 3.25Å; G126-M130 WeakPolarHBondContact O-CB 3.24Å; G126-M130 PolarHBondContact O-N 3Å; Q127-M130 PolarHBondContact O-N 3.37Å; R128-M130 VanDerWaalsContact C-N 3.31Å; R128-M130 PolarHBondContact O-N 3.35Å; M130-K134 VanDerWaalsContact O-CG 3.31Å; M130-K134 WeakPolarHBondContact O-CG 3.31Å; M130-K134 PolarHBondContact O-N 2.96Å; M130-K134 VanDerWaalsContact O-N 3.11Å
131	S	93.4	Very high	90.7	Very high	56 Å²	56	64.7 Å²	64.7	39%	0.392	33%	0.334	S	S	.	.	H	α-helix	trans	-66.7	-42.4	175.9	78.2	0	0	0	0	111.7	Q127 R128 G129 K134 N135	Q127-S131 PolarHBondContact O-N 3.02Å; Q127-S131 VanDerWaalsContact O-N 3.14Å; R128-S131 WeakPolarHBondContact O-CB 3.43Å; R128-S131 PolarHBondContact O-N 2.97Å; R128-S131 PolarHBondContact O-OG 3.06Å; G129-S131 VanDerWaalsContact C-N 3.31Å; G129-S131 PolarHBondContact O-N 3.31Å; S131-K134 PolarHBondContact O-N 3.2Å; S131-N135 PolarHBondContact O-N 2.8Å; S131-N135 PolarHBondContact O-ND2 2.91Å
132	Y	94.5	Very high	91.5	Very high	90 Å²	90	68 Å²	68	35%	0.353	35%	0.349	S	S	.	.	H	α-helix	trans	-64.8	-47.6	174.9	-71	-64	0	0	0	111.5	G91 R128 G129 K134 N135 F136	G91-Y132 WeakPolarHBondContact O-CB 3.14Å; R128-Y132 WeakPolarHBondContact O-CD2 3.44Å; R128-Y132 PolarHBondContact O-N 2.89Å; R128-Y132 VanDerWaalsContact O-N 3.15Å; G129-Y132 PolarHBondContact O-N 2.91Å; Y132-K134 VanDerWaalsContact C-N 3.29Å; Y132-K134 PolarHBondContact O-N 3.43Å; Y132-N135 PolarHBondContact O-N 2.94Å; Y132-F136 WeakPolarHBondContact O-CD2 3.28Å; Y132-F136 PolarHBondContact O-N 3.34Å
133	A	95.9	Very high	92.2	Very high	2 Å²	2	65 Å²	65	2%	0.017	33%	0.331	C	S	.	.	H	α-helix	trans	-52.1	-46.6	177.3	0	0	0	0	0	112.1	F88 G129 N135 A137	F88-A133 HydrophobicContact CD1-CB 4.37Å; F88-A133 HydrophobicContact CD2-CB 3.54Å; F88-A133 HydrophobicContact CE1-CB 4.34Å; F88-A133 HydrophobicContact CE2-CB 3.5Å; F88-A133 VanDerWaalsContact CE2-CB 3.5Å; F88-A133 HydrophobicContact CG-CB 3.99Å; F88-A133 HydrophobicContact CZ-CB 3.92Å; F88-A133 WeakPolarHBondContact O-CB 3.48Å; G129-A133 WeakPolarHBondContact O-CB 3.4Å; G129-A133 PolarHBondContact O-N 3.47Å; A133-N135 PolarHBondContact O-N 3.4Å; A133-A137 WeakPolarHBondContact O-CB 3.5Å; A133-A137 PolarHBondContact O-N 3.14Å
134	K	96.3	Very high	92.7	Very high	126 Å²	126	58.2 Å²	58.2	55%	0.548	30%	0.303	S	S	.	.	H	α-helix	trans	-62.7	-42.6	177.4	-72.9	173.9	-178.8	-179.4	0	112.9	M130 S131 Y132 A137 V138	M130-K134 VanDerWaalsContact O-CG 3.31Å; M130-K134 WeakPolarHBondContact O-CG 3.31Å; M130-K134 PolarHBondContact O-N 2.96Å; M130-K134 VanDerWaalsContact O-N 3.11Å; S131-K134 PolarHBondContact O-N 3.2Å; Y132-K134 VanDerWaalsContact C-N 3.29Å; Y132-K134 PolarHBondContact O-N 3.43Å; K134-A137 PolarHBondContact O-N 3.23Å; K134-V138 VanDerWaalsContact O-CG2 3.32Å; K134-V138 WeakPolarHBondContact O-CG2 3.43Å; K134-V138 PolarHBondContact O-N 3.25Å
135	N	94.8	Very high	93.3	Very high	97 Å²	97	57.8 Å²	57.8	52%	0.519	30%	0.304	S	S	.	.	H	α-helix	trans	-65.2	-47.4	179.3	-75.9	-64.6	0	0	0	111.6	S131 Y132 A133 A137 V138 I139	S131-N135 PolarHBondContact O-N 2.8Å; S131-N135 PolarHBondContact O-ND2 2.91Å; Y132-N135 PolarHBondContact O-N 2.94Å; A133-N135 PolarHBondContact O-N 3.4Å; N135-A137 VanDerWaalsContact C-N 3.34Å; N135-A137 PolarHBondContact O-N 3.36Å; N135-V138 PolarHBondContact O-N 2.98Å; N135-I139 WeakPolarHBondContact O-CD1 3.25Å; N135-I139 VanDerWaalsContact O-CG1 3.28Å; N135-I139 WeakPolarHBondContact O-CG1 3.32Å; N135-I139 PolarHBondContact O-N 3.34Å
136	F	95.4	Very high	93.8	Very high	86 Å²	86	57.5 Å²	57.5	38%	0.377	30%	0.304	S	S	.	.	H	α-helix	trans	-65.7	-36.5	177.5	-82.2	-83.9	0	0	0	112.6	G87 F94 Y132 I139 G140	G87-F136 WeakPolarHBondContact O-CB 3.47Å; F94-F136 HydrophobicContact CD1-CE2 4.11Å; F94-F136 HydrophobicContact CD1-CZ 4.35Å; Y132-F136 WeakPolarHBondContact O-CD2 3.28Å; Y132-F136 PolarHBondContact O-N 3.34Å; F136-I139 PolarHBondContact O-N 3.08Å; F136-G140 PolarHBondContact O-N 2.78Å
137	A	96.3	Very high	94.1	Very high	6 Å²	6	58.5 Å²	58.5	5%	0.05	30%	0.3	C	S	.	.	H	α-helix	trans	-59.8	-47	173.7	0	0	0	0	0	111.8	C84 F88 A133 K134 N135 G140 A141	C84-A137 WeakPolarHBondContact O-CB 3.37Å; F88-A137 HydrophobicContact CB-CB 3.94Å; F88-A137 HydrophobicContact CD2-CB 4.33Å; A133-A137 WeakPolarHBondContact O-CB 3.5Å; A133-A137 PolarHBondContact O-N 3.14Å; K134-A137 PolarHBondContact O-N 3.23Å; N135-A137 VanDerWaalsContact C-N 3.34Å; N135-A137 PolarHBondContact O-N 3.36Å; A137-G140 PolarHBondContact O-N 3.21Å; A137-A141 VanDerWaalsContact O-CB 3.25Å; A137-A141 WeakPolarHBondContact O-CB 3.41Å; A137-A141 PolarHBondContact O-N 3.22Å
138	V	95.3	Very high	94.4	Very high	76 Å²	76	52.2 Å²	52.2	46%	0.461	27%	0.271	S	S	.	.	H	α-helix	trans	-64.4	-43.6	178.3	171.4	0	0	0	0	111.4	K134 N135 M142	K134-V138 VanDerWaalsContact O-CG2 3.32Å; K134-V138 WeakPolarHBondContact O-CG2 3.43Å; K134-V138 PolarHBondContact O-N 3.25Å; N135-V138 PolarHBondContact O-N 2.98Å; V138-M142 HydrophobicContact CG1-CG 4.35Å; V138-M142 WeakPolarHBondContact O-CB 3.48Å; V138-M142 VanDerWaalsContact O-CG 3.23Å; V138-M142 WeakPolarHBondContact O-CG 3.49Å; V138-M142 PolarHBondContact O-N 3.16Å
139	I	94.4	Very high	94.7	Very high	50 Å²	50	53.9 Å²	53.9	26%	0.256	28%	0.284	S	S	.	.	H	α-helix	trans	-62.6	-48.4	178.5	-66.4	162.2	0	0	0	110.4	N135 F136 M142 F143 I173 F189	N135-I139 WeakPolarHBondContact O-CD1 3.25Å; N135-I139 VanDerWaalsContact O-CG1 3.28Å; N135-I139 WeakPolarHBondContact O-CG1 3.32Å; N135-I139 PolarHBondContact O-N 3.34Å; F136-I139 PolarHBondContact O-N 3.08Å; I139-M142 PolarHBondContact O-N 2.69Å; I139-F143 WeakPolarHBondContact O-CB 3.43Å; I139-F143 PolarHBondContact O-N 3.07Å; I139-I173 HydrophobicContact CG1-CD1 3.68Å; I139-F189 HydrophobicContact CG2-CE1 3.77Å; I139-F189 HydrophobicContact CG2-CZ 4.33Å
140	G	94.9	Very high	94.8	Very high	20 Å²	20	55.4 Å²	55.4	21%	0.206	29%	0.291	C	S	.	.	H	α-helix	trans	-62.7	-42.8	179.2	0	0	0	0	0	112.9	A83 F136 A137 F143 S144	A83-G140 WeakPolarHBondContact CB-O 3.17Å; F136-G140 PolarHBondContact O-N 2.78Å; A137-G140 PolarHBondContact O-N 3.21Å; G140-F143 PolarHBondContact O-N 3.22Å; G140-S144 WeakPolarHBondContact O-CB 3.19Å; G140-S144 PolarHBondContact O-N 2.74Å
141	A	95.9	Very high	94.8	Very high	21 Å²	21	53.4 Å²	53.4	17%	0.174	28%	0.281	C	S	.	.	H	α-helix	trans	-62	-47.1	176	0	0	0	0	0	111.9	C84 A137 C145	C84-A141 HydrophobicContact CB-CB 3.94Å; A137-A141 VanDerWaalsContact O-CB 3.25Å; A137-A141 WeakPolarHBondContact O-CB 3.41Å; A137-A141 PolarHBondContact O-N 3.22Å; A141-C145 VanDerWaalsContact O-CB 3.25Å; A141-C145 WeakPolarHBondContact O-CB 3.29Å; A141-C145 PolarHBondContact O-N 3.08Å
142	M	95.1	Very high	94.7	Very high	101 Å²	101	54.9 Å²	54.9	50%	0.498	29%	0.291	S	S	.	.	H	α-helix	trans	-65.4	-40.8	180	-73.4	-69.7	171	0	0	112.1	V138 I139 T146 T169	V138-M142 HydrophobicContact CG1-CG 4.35Å; V138-M142 WeakPolarHBondContact O-CB 3.48Å; V138-M142 VanDerWaalsContact O-CG 3.23Å; V138-M142 WeakPolarHBondContact O-CG 3.49Å; V138-M142 PolarHBondContact O-N 3.16Å; I139-M142 PolarHBondContact O-N 2.69Å; M142-T146 VanDerWaalsContact O-CB 3.26Å; M142-T146 WeakPolarHBondContact O-CB 3.29Å; M142-T146 PolarHBondContact O-N 3.02Å; M142-T146 PolarHBondContact O-OG1 3.46Å; M142-T169 HydrophobicContact CB-CG2 3.65Å
143	F	95.4	Very high	94.7	Very high	58 Å²	58	58.6 Å²	58.6	25%	0.254	31%	0.312	S	S	.	.	H	α-helix	trans	-60.3	-53.5	176.6	179.5	-98.9	0	0	0	111.3	I139 G140 T146 E147 A162 S165 S193	I139-F143 WeakPolarHBondContact O-CB 3.43Å; I139-F143 PolarHBondContact O-N 3.07Å; G140-F143 PolarHBondContact O-N 3.22Å; F143-T146 PolarHBondContact O-N 2.66Å; F143-E147 WeakPolarHBondContact O-CB 3.45Å; F143-E147 PolarHBondContact O-N 3.32Å; F143-A162 HydrophobicContact CZ-CB 4.41Å; F143-S165 WeakPolarHBondContact CE2-OG 3.1Å; F143-S193 WeakPolarHBondContact CE2-OG 3.3Å
144	S	95.4	Very high	94.5	Very high	18 Å²	18	63.4 Å²	63.4	13%	0.126	33%	0.329	C	S	.	.	H	α-helix	trans	-66.7	-39.8	-178.3	-174.6	0	0	0	0	113.1	K79 G140 C148	K79-S144 PolarHBondContact O-OG 2.91Å; G140-S144 WeakPolarHBondContact O-CB 3.19Å; G140-S144 PolarHBondContact O-N 2.74Å; S144-C148 WeakPolarHBondContact O-CB 3.3Å; S144-C148 PolarHBondContact O-N 3.42Å
145	C	94.2	Very high	94.3	Very high	40 Å²	40	60.6 Å²	60.6	27%	0.27	34%	0.336	S	S	.	.	H	α-helix	trans	-57.6	-51	172.5	-92.8	0	0	0	0	111.5	A80 A141 C148 I149	A80-C145 HydrophobicContact CB-CB 4.39Å; A80-C145 WeakPolarHBondContact CB-SG 3.18Å; A141-C145 VanDerWaalsContact O-CB 3.25Å; A141-C145 WeakPolarHBondContact O-CB 3.29Å; A141-C145 PolarHBondContact O-N 3.08Å; C145-C148 PolarHBondContact O-N 2.97Å; C145-I149 VanDerWaalsContact O-CG1 3.26Å; C145-I149 WeakPolarHBondContact O-CG1 3.19Å; C145-I149 PolarHBondContact O-N 2.83Å
146	T	95.3	Very high	94.1	Very high	26 Å²	26	62.4 Å²	62.4	16%	0.16	34%	0.339	C	S	.	.	H	α-helix	trans	-67.3	-41.7	-173.4	-54.5	0	0	0	0	110.8	M142 F143 I149 I150 V168	M142-T146 VanDerWaalsContact O-CB 3.26Å; M142-T146 WeakPolarHBondContact O-CB 3.29Å; M142-T146 PolarHBondContact O-N 3.02Å; M142-T146 PolarHBondContact O-OG1 3.46Å; F143-T146 PolarHBondContact O-N 2.66Å; T146-I149 PolarHBondContact O-N 2.97Å; T146-I150 HydrophobicContact CG2-CD1 3.86Å; T146-I150 HydrophobicContact CG2-CG1 4.5Å; T146-I150 VanDerWaalsContact O-CG1 3.24Å; T146-I150 WeakPolarHBondContact O-CG1 3.46Å; T146-I150 PolarHBondContact O-N 3.13Å; T146-V168 HydrophobicContact CG2-CB 3.99Å; T146-V168 HydrophobicContact CG2-CG1 3.82Å
147	E	93.9	Very high	93.9	Very high	53 Å²	53	62.4 Å²	62.4	25%	0.248	35%	0.35	C	S	.	.	H	α-helix	trans	-59	-49.2	174.3	-172.2	-171.2	177.9	0	0	111.4	F143 I149 I150 E151	F143-E147 WeakPolarHBondContact O-CB 3.45Å; F143-E147 PolarHBondContact O-N 3.32Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.94Å; E147-I150 PolarHBondContact O-N 2.79Å; E147-E151 WeakPolarHBondContact O-CB 3.18Å; E147-E151 PolarHBondContact O-N 3.07Å
148	C	93.6	Very high	93.6	Very high	6 Å²	6	65.2 Å²	65.2	4%	0.041	36%	0.364	C	S	.	.	H	α-helix	trans	-62	-38	179.4	-176.5	0	0	0	0	112.7	C76 S144 C145 S152	C76-C148 WeakPolarHBondContact CA-SG 3.42Å; C76-C148 HydrophobicContact CB-CB 3.63Å; C76-C148 WeakPolarHBondContact CB-SG 3.34Å; C76-C148 WeakPolarHBondContact SG-CB 3.44Å; C76-C148 CovalentContact SG-SG 2.04Å; C76-C148 PolarHBondContact SG-SG 3.4Å; S144-C148 WeakPolarHBondContact O-CB 3.3Å; S144-C148 PolarHBondContact O-N 3.42Å; C145-C148 PolarHBondContact O-N 2.97Å; C148-S152 VanDerWaalsContact O-CB 3.23Å; C148-S152 WeakPolarHBondContact O-CB 3.46Å; C148-S152 PolarHBondContact O-N 3.22Å; C148-S152 PolarHBondContact O-OG 3.49Å
149	I	94	Very high	93.4	Very high	108 Å²	108	68.2 Å²	68.2	55%	0.554	37%	0.367	S	S	*	.	H	α-helix	trans	-65.3	-44.6	175.6	-68.9	165.1	0	0	0	110.8	C145 T146 E147 S152 H153	C145-I149 VanDerWaalsContact O-CG1 3.26Å; C145-I149 WeakPolarHBondContact O-CG1 3.19Å; C145-I149 PolarHBondContact O-N 2.83Å; T146-I149 PolarHBondContact O-N 2.97Å; E147-I149 VanDerWaalsContact C-N 3.32Å; E147-I149 PolarHBondContact O-N 2.94Å; I149-S152 PolarHBondContact O-N 3.5Å; I149-H153 WeakPolarHBondContact O-CB 3.42Å; I149-H153 PolarHBondContact O-N 3.27Å
150	I	93.6	Very high	93.3	Very high	35 Å²	35	70.1 Å²	70.1	18%	0.179	37%	0.373	C	S	.	.	H	α-helix	trans	-65.5	-44	179.1	-68.3	167.4	0	0	0	110.7	T146 E147 H153 R154 N161	T146-I150 HydrophobicContact CG2-CD1 3.86Å; T146-I150 HydrophobicContact CG2-CG1 4.5Å; T146-I150 VanDerWaalsContact O-CG1 3.24Å; T146-I150 WeakPolarHBondContact O-CG1 3.46Å; T146-I150 PolarHBondContact O-N 3.13Å; E147-I150 PolarHBondContact O-N 2.79Å; I150-H153 PolarHBondContact O-N 3.49Å; I150-R154 HydrophobicContact CG2-CG 4.5Å; I150-R154 WeakPolarHBondContact O-CB 3.34Å; I150-R154 WeakPolarHBondContact O-CG 3.34Å; I150-R154 PolarHBondContact O-N 3.49Å; I150-N161 HydrophobicContact CG2-CB 4.29Å
151	E	93.6	Very high	93.2	Very high	47 Å²	47	69.2 Å²	69.2	22%	0.22	36%	0.364	C	S	.	.	H	α-helix	trans	-61.9	-45.6	177	-176.3	173.9	-144.8	0	0	111	K79 E147 H153 R154 G155 S157	K79-E151 IonicContact NZ-OE2 2.78Å; E147-E151 WeakPolarHBondContact O-CB 3.18Å; E147-E151 PolarHBondContact O-N 3.07Å; E151-H153 VanDerWaalsContact C-N 3.29Å; E151-H153 PolarHBondContact O-N 3.11Å; E151-R154 PolarHBondContact O-N 2.91Å; E151-G155 WeakPolarHBondContact O-CA 3.38Å; E151-G155 PolarHBondContact O-N 3.46Å; E151-S157 WeakPolarHBondContact OE1-CB 3.45Å; E151-S157 PolarHBondContact OE1-OG 3.24Å
152	S	91.6	Very high	93.1	Very high	87 Å²	87	68.4 Å²	68.4	61%	0.608	36%	0.357	S	S	*	.	H	α-helix	trans	-61.8	-37.1	176.7	-60.9	0	0	0	0	112.2	C148 I149	C148-S152 VanDerWaalsContact O-CB 3.23Å; C148-S152 WeakPolarHBondContact O-CB 3.46Å; C148-S152 PolarHBondContact O-N 3.22Å; C148-S152 PolarHBondContact O-OG 3.49Å; I149-S152 PolarHBondContact O-N 3.5Å
153	H	92.8	Very high	93.1	Very high	168 Å²	168	65.1 Å²	65.1	78%	0.778	34%	0.342	S	S	*	.	H	α-helix	trans	-74.4	-37.7	178.1	-177.1	-86.8	0	0	0	112.9	I149 I150 E151	I149-H153 WeakPolarHBondContact O-CB 3.42Å; I149-H153 PolarHBondContact O-N 3.27Å; I150-H153 PolarHBondContact O-N 3.49Å; E151-H153 VanDerWaalsContact C-N 3.29Å; E151-H153 PolarHBondContact O-N 3.11Å
154	R	92.3	Very high	93.1	Very high	103 Å²	103	68.3 Å²	68.3	39%	0.389	35%	0.354	S	S	.	.	H	α-helix	trans	-87.7	-21	-178.2	-68	-175.3	70.2	-139	-9.4	113.7	I150 E151 K156 D158 N161	I150-R154 HydrophobicContact CG2-CG 4.5Å; I150-R154 WeakPolarHBondContact O-CB 3.34Å; I150-R154 WeakPolarHBondContact O-CG 3.34Å; I150-R154 PolarHBondContact O-N 3.49Å; E151-R154 PolarHBondContact O-N 2.91Å; R154-K156 PolarHBondContact O-N 3.38Å; R154-D158 IonicContact CZ-OD2 3.35Å; R154-D158 IonicContact NH1-OD2 3Å; R154-D158 PolarHBondContact NH1-OD2 2.89Å; R154-D158 IonicContact NH2-OD2 3.38Å; R154-D158 PolarHBondContact NH2-OD2 2.83Å; R154-N161 PolarHBondContact NH1-OD1 2.92Å
155	G	91.6	Very high	93.1	Very high	66 Å²	66	67.4 Å²	67.4	68%	0.68	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.7	21.5	-174.7	0	0	0	0	0	113.9	E151	E151-G155 WeakPolarHBondContact O-CA 3.38Å; E151-G155 PolarHBondContact O-N 3.46Å
156	K	92.1	Very high	93.1	Very high	135 Å²	135	65.5 Å²	65.5	59%	0.587	34%	0.335	S	S	*	.			trans	-141.4	136.4	-178.7	-66.7	-169.7	179.5	-174.2	0	110.4	R154 N161	R154-K156 PolarHBondContact O-N 3.38Å; K156-N161 PolarHBondContact O-ND2 3.23Å
157	S	89.5	Confident	93.2	Very high	87 Å²	87	66 Å²	66	61%	0.608	34%	0.339	S	S	*	.			trans	-97.3	104.4	174	-150.8	0	0	0	0	109.3	E151	E151-S157 WeakPolarHBondContact OE1-CB 3.45Å; E151-S157 PolarHBondContact OE1-OG 3.24Å
158	D	91.8	Very high	93.3	Very high	64 Å²	64	67.2 Å²	67.2	34%	0.342	35%	0.35	S	S	.	.			trans	-131.2	155.7	-179.9	-63.6	-54.5	0	0	0	109.9	R154 K160 N161	R154-D158 IonicContact CZ-OD2 3.35Å; R154-D158 IonicContact NH1-OD2 3Å; R154-D158 PolarHBondContact NH1-OD2 2.89Å; R154-D158 IonicContact NH2-OD2 3.38Å; R154-D158 PolarHBondContact NH2-OD2 2.83Å; D158-K160 PolarHBondContact O-N 2.84Å; D158-N161 PolarHBondContact N-ND2 3.49Å; D158-N161 VanDerWaalsContact O-CB 3.31Å; D158-N161 WeakPolarHBondContact O-CB 3.3Å; D158-N161 PolarHBondContact O-N 3.34Å
159	W	90.4	Very high	93.4	Very high	140 Å²	140	67 Å²	67	53%	0.53	35%	0.349	S	S	.	.	H	α-helix	trans	-53.4	-27.4	172.7	63.8	-89.5	0	0	0	113.9	N161 A162 V163 E197	W159-N161 VanDerWaalsContact C-N 3.25Å; W159-N161 PolarHBondContact O-N 3.1Å; W159-A162 PolarHBondContact O-N 2.95Å; W159-V163 HydrophobicContact CE3-CG2 4.08Å; W159-V163 HydrophobicContact CZ3-CG2 4.35Å; W159-V163 PolarHBondContact O-N 3.46Å; W159-E197 HydrophobicContact CB-CG 3.61Å
160	K	92.8	Very high	93.4	Very high	90 Å²	90	62 Å²	62	39%	0.391	32%	0.323	S	S	.	.	H	α-helix	trans	-64.2	-31	176.8	-62.1	179.4	-176	175.5	0	112.2	D158 A162 V163 Y164	D158-K160 PolarHBondContact O-N 2.84Å; K160-A162 VanDerWaalsContact C-N 3.32Å; K160-A162 PolarHBondContact O-N 2.95Å; K160-V163 PolarHBondContact O-N 3.13Å; K160-Y164 HydrophobicContact CB-CD2 4.28Å; K160-Y164 HydrophobicContact CB-CE2 3.9Å; K160-Y164 WeakPolarHBondContact O-CD2 3.4Å; K160-Y164 VanDerWaalsContact O-CG 3.3Å; K160-Y164 PolarHBondContact O-N 3.02Å
161	N	92.8	Very high	93.5	Very high	1 Å²	1	61 Å²	61	1%	0.005	32%	0.322	C	S	.	.	H	α-helix	trans	-63.6	-42.1	178.9	-62.6	-13.5	0	0	0	110.6	I150 R154 K156 D158 W159 Y164 S165	I150-N161 HydrophobicContact CG2-CB 4.29Å; R154-N161 PolarHBondContact NH1-OD1 2.92Å; K156-N161 PolarHBondContact O-ND2 3.23Å; D158-N161 PolarHBondContact N-ND2 3.49Å; D158-N161 VanDerWaalsContact O-CB 3.31Å; D158-N161 WeakPolarHBondContact O-CB 3.3Å; D158-N161 PolarHBondContact O-N 3.34Å; W159-N161 VanDerWaalsContact C-N 3.25Å; W159-N161 PolarHBondContact O-N 3.1Å; N161-Y164 PolarHBondContact O-N 2.76Å; N161-S165 WeakPolarHBondContact O-CB 3.49Å; N161-S165 PolarHBondContact O-N 3.42Å; N161-S165 PolarHBondContact O-OG 3.47Å; N161-S165 VanDerWaalsContact O-OG 3.07Å
162	A	92.7	Very high	93.5	Very high	4 Å²	4	61.6 Å²	61.6	3%	0.033	34%	0.335	C	S	.	.	H	α-helix	trans	-63.6	-39.7	175.2	0	0	0	0	0	112.3	F143 W159 K160 S165 G166 S193	F143-A162 HydrophobicContact CZ-CB 4.41Å; W159-A162 PolarHBondContact O-N 2.95Å; K160-A162 VanDerWaalsContact C-N 3.32Å; K160-A162 PolarHBondContact O-N 2.95Å; A162-S165 WeakPolarHBondContact CA-OG 3.38Å; A162-S165 PolarHBondContact O-OG 2.89Å; A162-G166 PolarHBondContact O-N 2.84Å; A162-S193 VanDerWaalsContact O-CB 3.27Å; A162-S193 WeakPolarHBondContact O-CB 3.19Å
163	V	95.5	Very high	93.6	Very high	31 Å²	31	60.2 Å²	60.2	19%	0.188	32%	0.32	C	S	.	.	H	α-helix	trans	-67.7	-43.2	177.1	-179.3	0	0	0	0	111.5	W159 K160 G166 C167 A190 A194	W159-V163 HydrophobicContact CE3-CG2 4.08Å; W159-V163 HydrophobicContact CZ3-CG2 4.35Å; W159-V163 PolarHBondContact O-N 3.46Å; K160-V163 PolarHBondContact O-N 3.13Å; V163-G166 PolarHBondContact O-N 3.41Å; V163-C167 PolarHBondContact O-N 2.93Å; V163-A190 HydrophobicContact CG1-CB 3.86Å; V163-A194 HydrophobicContact CG2-CB 3.77Å
164	Y	95.5	Very high	93.5	Very high	125 Å²	125	52.9 Å²	52.9	49%	0.49	29%	0.289	S	S	.	.	H	α-helix	trans	-66.8	-44.7	177.3	-66.7	-45.2	0	0	0	111.9	K160 N161 G166 C167 V168	K160-Y164 HydrophobicContact CB-CD2 4.28Å; K160-Y164 HydrophobicContact CB-CE2 3.9Å; K160-Y164 WeakPolarHBondContact O-CD2 3.4Å; K160-Y164 VanDerWaalsContact O-CG 3.3Å; K160-Y164 PolarHBondContact O-N 3.02Å; N161-Y164 PolarHBondContact O-N 2.76Å; Y164-G166 VanDerWaalsContact C-N 3.32Å; Y164-G166 PolarHBondContact O-N 2.83Å; Y164-C167 PolarHBondContact O-N 3.01Å; Y164-V168 WeakPolarHBondContact O-CB 3.33Å; Y164-V168 VanDerWaalsContact O-CG2 3.26Å; Y164-V168 WeakPolarHBondContact O-CG2 3.29Å; Y164-V168 PolarHBondContact O-N 3.4Å
165	S	95.4	Very high	93.6	Very high	0 Å²	0	54.6 Å²	54.6	0%	0	30%	0.3	C	S	.	.	H	α-helix	trans	-64.2	-38.4	176.8	63.5	0	0	0	0	111.7	F143 N161 A162 V168 T169	F143-S165 WeakPolarHBondContact CE2-OG 3.1Å; N161-S165 WeakPolarHBondContact O-CB 3.49Å; N161-S165 PolarHBondContact O-N 3.42Å; N161-S165 PolarHBondContact O-OG 3.47Å; N161-S165 VanDerWaalsContact O-OG 3.07Å; A162-S165 WeakPolarHBondContact CA-OG 3.38Å; A162-S165 PolarHBondContact O-OG 2.89Å; S165-V168 PolarHBondContact O-N 3.46Å; S165-T169 VanDerWaalsContact O-CB 3.25Å; S165-T169 WeakPolarHBondContact O-CB 3.21Å; S165-T169 PolarHBondContact O-N 3.27Å; S165-T169 PolarHBondContact O-OG1 3.38Å
166	G	95.1	Very high	93.6	Very high	0 Å²	0	61.5 Å²	61.5	0%	0	31%	0.306	C	S	.	.	H	α-helix	trans	-58.1	-55	171.2	0	0	0	0	0	111.9	A162 V163 Y164 V168 T169 G170 F189	A162-G166 PolarHBondContact O-N 2.84Å; V163-G166 PolarHBondContact O-N 3.41Å; Y164-G166 VanDerWaalsContact C-N 3.32Å; Y164-G166 PolarHBondContact O-N 2.83Å; G166-V168 PolarHBondContact O-N 2.65Å; G166-T169 PolarHBondContact O-N 2.83Å; G166-G170 PolarHBondContact O-N 3.46Å; G166-F189 WeakPolarHBondContact O-CB 3.36Å
167	C	96.7	Very high	93.5	Very high	37 Å²	37	59.3 Å²	59.3	25%	0.25	31%	0.312	C	S	.	.	H	α-helix	trans	-57.7	-45.8	177.7	169.6	0	0	0	0	112.5	V163 Y164 G171 C186 A190	V163-C167 PolarHBondContact O-N 2.93Å; Y164-C167 PolarHBondContact O-N 3.01Å; C167-G171 WeakPolarHBondContact O-CA 3.49Å; C167-G171 PolarHBondContact O-N 3.07Å; C167-C186 HydrophobicContact CB-CB 4.06Å; C167-C186 WeakPolarHBondContact CB-SG 3.45Å; C167-C186 WeakPolarHBondContact O-CA 3.08Å; C167-C186 WeakPolarHBondContact O-CB 3.34Å; C167-C186 WeakPolarHBondContact SG-CB 3.48Å; C167-C186 CovalentContact SG-SG 2.04Å; C167-C186 PolarHBondContact SG-SG 2.91Å; C167-A190 HydrophobicContact CB-CB 4.09Å
168	V	96	Very high	93.8	Very high	77 Å²	77	56.6 Å²	56.6	47%	0.467	30%	0.299	S	S	.	.	H	α-helix	trans	-64.8	-44.2	-178.9	170.7	0	0	0	0	110.6	T146 Y164 S165 G166 A172	T146-V168 HydrophobicContact CG2-CB 3.99Å; T146-V168 HydrophobicContact CG2-CG1 3.82Å; Y164-V168 WeakPolarHBondContact O-CB 3.33Å; Y164-V168 VanDerWaalsContact O-CG2 3.26Å; Y164-V168 WeakPolarHBondContact O-CG2 3.29Å; Y164-V168 PolarHBondContact O-N 3.4Å; S165-V168 PolarHBondContact O-N 3.46Å; G166-V168 PolarHBondContact O-N 2.65Å; V168-A172 WeakPolarHBondContact O-CB 3.44Å; V168-A172 PolarHBondContact O-N 3.41Å
169	T	95.1	Very high	93.9	Very high	3 Å²	3	56.4 Å²	56.4	2%	0.018	31%	0.306	C	S	.	.	H	α-helix	trans	-66.5	-50.2	179.7	-56.8	0	0	0	0	111.2	M142 S165 G166 G171 A172 I173	M142-T169 HydrophobicContact CB-CG2 3.65Å; S165-T169 VanDerWaalsContact O-CB 3.25Å; S165-T169 WeakPolarHBondContact O-CB 3.21Å; S165-T169 PolarHBondContact O-N 3.27Å; S165-T169 PolarHBondContact O-OG1 3.38Å; G166-T169 PolarHBondContact O-N 2.83Å; T169-G171 VanDerWaalsContact C-N 3.34Å; T169-G171 PolarHBondContact O-N 3.14Å; T169-A172 PolarHBondContact O-N 3.45Å; T169-I173 HydrophobicContact CG2-CD1 4.01Å; T169-I173 VanDerWaalsContact O-CG1 3.31Å; T169-I173 WeakPolarHBondContact O-CG1 3.37Å; T169-I173 PolarHBondContact O-N 2.84Å
170	G	94	Very high	94.1	Very high	2 Å²	2	59 Å²	59	2%	0.021	32%	0.321	C	S	.	.	H	α-helix	trans	-65.2	-37.4	178.2	0	0	0	0	0	112.8	G166 G174 F189	G166-G170 PolarHBondContact O-N 3.46Å; G170-G174 PolarHBondContact O-N 3.35Å; G170-F189 VanDerWaalsContact CA-CD2 3.48Å
171	G	95.4	Very high	94.2	Very high	15 Å²	15	56.5 Å²	56.5	16%	0.155	32%	0.317	C	S	.	.	H	α-helix	trans	-65.6	-49	174.7	0	0	0	0	0	112	C167 T169 I173 G174 F175 G182	C167-G171 WeakPolarHBondContact O-CA 3.49Å; C167-G171 PolarHBondContact O-N 3.07Å; T169-G171 VanDerWaalsContact C-N 3.34Å; T169-G171 PolarHBondContact O-N 3.14Å; G171-I173 VanDerWaalsContact C-N 3.34Å; G171-I173 PolarHBondContact O-N 3.15Å; G171-G174 PolarHBondContact O-N 3.47Å; G171-F175 VanDerWaalsContact O-CB 3.25Å; G171-F175 WeakPolarHBondContact O-CB 3.38Å; G171-F175 PolarHBondContact O-N 2.95Å; G171-G182 WeakPolarHBondContact CA-O 3.48Å
172	A	94.8	Very high	94.3	Very high	59 Å²	59	56.7 Å²	56.7	49%	0.488	32%	0.319	S	S	.	.	H	α-helix	trans	-63.1	-38.8	179.9	0	0	0	0	0	112.6	V168 T169	V168-A172 WeakPolarHBondContact O-CB 3.44Å; V168-A172 PolarHBondContact O-N 3.41Å; T169-A172 PolarHBondContact O-N 3.45Å
173	I	92.7	Very high	94.5	Very high	57 Å²	57	61.8 Å²	61.8	29%	0.292	35%	0.35	S	S	.	.	H	α-helix	trans	-72.8	-45.9	176.4	-64.2	172.6	0	0	0	110.4	I139 T169 G171 F175 R176	I139-I173 HydrophobicContact CG1-CD1 3.68Å; T169-I173 HydrophobicContact CG2-CD1 4.01Å; T169-I173 VanDerWaalsContact O-CG1 3.31Å; T169-I173 WeakPolarHBondContact O-CG1 3.37Å; T169-I173 PolarHBondContact O-N 2.84Å; G171-I173 VanDerWaalsContact C-N 3.34Å; G171-I173 PolarHBondContact O-N 3.15Å; I173-F175 VanDerWaalsContact C-N 3.33Å; I173-F175 PolarHBondContact O-N 3.41Å; I173-R176 WeakPolarHBondContact O-CB 3.32Å; I173-R176 PolarHBondContact O-N 2.88Å
174	G	92.3	Very high	94.5	Very high	14 Å²	14	67 Å²	67	14%	0.144	38%	0.376	C	S	.	.	H	α-helix	trans	-66.1	-31.7	-179.6	0	0	0	0	0	113.6	G170 G171 R176 A177 G178 A181 G182	G170-G174 PolarHBondContact O-N 3.35Å; G171-G174 PolarHBondContact O-N 3.47Å; G174-R176 PolarHBondContact O-N 3.26Å; G174-A177 PolarHBondContact O-N 2.84Å; G174-G178 PolarHBondContact O-N 3.23Å; G174-A181 WeakPolarHBondContact O-CB 3.35Å; G174-G182 PolarHBondContact O-N 2.9Å
175	F	94.4	Very high	94.5	Very high	140 Å²	140	61.8 Å²	61.8	61%	0.614	36%	0.359	S	S	*	.	H	α-helix	trans	-63	-26.2	-179.8	-157.4	-95.5	0	0	0	112.6	G171 I173 A177 G178 A179	G171-F175 VanDerWaalsContact O-CB 3.25Å; G171-F175 WeakPolarHBondContact O-CB 3.38Å; G171-F175 PolarHBondContact O-N 2.95Å; I173-F175 VanDerWaalsContact C-N 3.33Å; I173-F175 PolarHBondContact O-N 3.41Å; F175-A177 PolarHBondContact O-N 3Å; F175-G178 PolarHBondContact O-N 3.41Å; F175-A179 HydrophobicContact CE2-CB 3.97Å
176	R	90.4	Very high	94.6	Very high	211 Å²	211	63.4 Å²	63.4	80%	0.796	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-28.4	172.9	-66.9	177.1	155.9	118	-5.1	112.8	I173 G174	I173-R176 WeakPolarHBondContact O-CB 3.32Å; I173-R176 PolarHBondContact O-N 2.88Å; G174-R176 PolarHBondContact O-N 3.26Å
177	A	91.1	Very high	94.7	Very high	88 Å²	88	65.2 Å²	65.2	73%	0.727	39%	0.389	S	S	*	.	T	Hydrogen-bonded Turn	trans	-91.6	0	174.6	0	0	0	0	0	113	G174 F175 A181	G174-A177 PolarHBondContact O-N 2.84Å; F175-A177 PolarHBondContact O-N 3Å; A177-A181 HydrophobicContact CB-CB 3.93Å
178	G	94.5	Very high	94.7	Very high	31 Å²	31	65.5 Å²	65.5	32%	0.32	40%	0.398	S	S	.	.			trans	121.9	161.9	178	0	0	0	0	0	113.7	G174 F175 K180 A181 G182	G174-G178 PolarHBondContact O-N 3.23Å; F175-G178 PolarHBondContact O-N 3.41Å; G178-K180 VanDerWaalsContact C-N 3.33Å; G178-K180 PolarHBondContact O-N 3.49Å; G178-A181 PolarHBondContact O-N 3.43Å; G178-A181 VanDerWaalsContact O-N 3.14Å; G178-G182 PolarHBondContact O-N 3.3Å
179	A	94.6	Very high	94.6	Very high	59 Å²	59	64.8 Å²	64.8	49%	0.488	39%	0.389	S	S	.	.	H	α-helix	trans	-60	-39.2	-175.3	0	0	0	0	0	113.4	F175 G182 V183	F175-A179 HydrophobicContact CE2-CB 3.97Å; A179-G182 PolarHBondContact O-N 2.86Å; A179-V183 PolarHBondContact O-N 3.34Å
180	K	94.3	Very high	94.7	Very high	195 Å²	195	65.3 Å²	65.3	85%	0.848	39%	0.394	S	S	*	.	H	α-helix	trans	-63	-42	176.5	-69.6	-177.1	177.9	-177.2	0	111.9	G178 G182 V183 L184	G178-K180 VanDerWaalsContact C-N 3.33Å; G178-K180 PolarHBondContact O-N 3.49Å; K180-G182 VanDerWaalsContact C-N 3.33Å; K180-V183 PolarHBondContact O-N 3.07Å; K180-L184 WeakPolarHBondContact O-CB 3.42Å; K180-L184 PolarHBondContact O-N 2.99Å; K180-L184 VanDerWaalsContact O-N 3.1Å
181	A	94.3	Very high	94.9	Very high	37 Å²	37	68.2 Å²	68.2	31%	0.306	42%	0.417	S	S	.	.	H	α-helix	trans	-67.9	-34.1	175.7	0	0	0	0	0	111.6	G174 A177 G178 G185	G174-A181 WeakPolarHBondContact O-CB 3.35Å; A177-A181 HydrophobicContact CB-CB 3.93Å; G178-A181 PolarHBondContact O-N 3.43Å; G178-A181 VanDerWaalsContact O-N 3.14Å; A181-G185 WeakPolarHBondContact O-CA 3.31Å; A181-G185 PolarHBondContact O-N 3.43Å
182	G	95.1	Very high	94.8	Very high	5 Å²	5	73.7 Å²	73.7	5%	0.052	44%	0.437	C	S	.	.	H	α-helix	trans	-62.8	-46.1	173.1	0	0	0	0	0	113.3	G171 G174 G178 A179 K180 G185 C186	G171-G182 WeakPolarHBondContact CA-O 3.48Å; G174-G182 PolarHBondContact O-N 2.9Å; G178-G182 PolarHBondContact O-N 3.3Å; A179-G182 PolarHBondContact O-N 2.86Å; K180-G182 VanDerWaalsContact C-N 3.33Å; G182-G185 PolarHBondContact O-N 2.95Å; G182-C186 PolarHBondContact O-N 3Å
183	V	96.6	Very high	94.8	Very high	112 Å²	112	71.3 Å²	71.3	68%	0.679	42%	0.417	S	S	*	.	H	α-helix	trans	-65.2	-45.2	177.8	176.2	0	0	0	0	111	A179 K180 G185 C186 G187	A179-V183 PolarHBondContact O-N 3.34Å; K180-V183 PolarHBondContact O-N 3.07Å; V183-G185 VanDerWaalsContact C-N 3.31Å; V183-G185 PolarHBondContact O-N 3.44Å; V183-C186 PolarHBondContact O-N 3.06Å; V183-G187 PolarHBondContact O-N 3Å
184	L	96.4	Very high	94.9	Very high	141 Å²	141	70.2 Å²	70.2	74%	0.738	42%	0.417	S	S	*	.	H	α-helix	trans	-63.3	-40.1	176.2	-163.5	107.1	0	0	0	111.4	K180 G187 G188	K180-L184 WeakPolarHBondContact O-CB 3.42Å; K180-L184 PolarHBondContact O-N 2.99Å; K180-L184 VanDerWaalsContact O-N 3.1Å; L184-G187 PolarHBondContact O-N 3.32Å; L184-G188 PolarHBondContact O-N 2.78Å
185	G	95.8	Very high	95.1	Very high	14 Å²	14	72.2 Å²	72.2	14%	0.144	43%	0.432	C	S	.	.	H	α-helix	trans	-63.8	-44	176.6	0	0	0	0	0	112.5	A181 G182 V183 G188 F189	A181-G185 WeakPolarHBondContact O-CA 3.31Å; A181-G185 PolarHBondContact O-N 3.43Å; G182-G185 PolarHBondContact O-N 2.95Å; V183-G185 VanDerWaalsContact C-N 3.31Å; V183-G185 PolarHBondContact O-N 3.44Å; G185-G188 PolarHBondContact O-N 3.22Å; G185-F189 WeakPolarHBondContact O-CB 3.29Å; G185-F189 WeakPolarHBondContact O-CD2 3.33Å; G185-F189 PolarHBondContact O-N 3.19Å
186	C	96.7	Very high	95.1	Very high	34 Å²	34	68.8 Å²	68.8	23%	0.23	42%	0.419	C	S	.	.	H	α-helix	trans	-59.4	-50.1	173.1	158.4	0	0	0	0	110.9	C167 G182 V183 G188 A190	C167-C186 HydrophobicContact CB-CB 4.06Å; C167-C186 WeakPolarHBondContact CB-SG 3.45Å; C167-C186 WeakPolarHBondContact O-CA 3.08Å; C167-C186 WeakPolarHBondContact O-CB 3.34Å; C167-C186 WeakPolarHBondContact SG-CB 3.48Å; C167-C186 CovalentContact SG-SG 2.04Å; C167-C186 PolarHBondContact SG-SG 2.91Å; G182-C186 PolarHBondContact O-N 3Å; V183-C186 PolarHBondContact O-N 3.06Å; C186-G188 PolarHBondContact O-N 2.87Å; C186-A190 WeakPolarHBondContact O-CB 3.5Å; C186-A190 PolarHBondContact O-N 3.47Å
187	G	97.4	Very high	95.2	Very high	39 Å²	39	61.5 Å²	61.5	40%	0.402	39%	0.394	S	S	.	.	H	α-helix	trans	-61.1	-44.7	-180	0	0	0	0	0	113	V183 L184 A191	V183-G187 PolarHBondContact O-N 3Å; L184-G187 PolarHBondContact O-N 3.32Å; G187-A191 WeakPolarHBondContact O-CB 3.25Å; G187-A191 PolarHBondContact O-N 2.97Å
188	G	96.5	Very high	95.3	Very high	42 Å²	42	66.8 Å²	66.8	43%	0.433	40%	0.396	S	S	.	.	H	α-helix	trans	-64.8	-49.1	179.5	0	0	0	0	0	113	L184 G185 C186 A191 F192	L184-G188 PolarHBondContact O-N 2.78Å; G185-G188 PolarHBondContact O-N 3.22Å; C186-G188 PolarHBondContact O-N 2.87Å; G188-A191 PolarHBondContact O-N 3.42Å; G188-F192 WeakPolarHBondContact O-CB 3.36Å; G188-F192 PolarHBondContact O-N 2.9Å
189	F	95.3	Very high	95.4	Very high	62 Å²	62	74.1 Å²	74.1	27%	0.272	42%	0.416	S	S	.	.	H	α-helix	trans	-68.8	-36.7	178	-85.6	-103.9	0	0	0	112.3	I139 G166 G170 G185 F192 S193	I139-F189 HydrophobicContact CG2-CE1 3.77Å; I139-F189 HydrophobicContact CG2-CZ 4.33Å; G166-F189 WeakPolarHBondContact O-CB 3.36Å; G170-F189 VanDerWaalsContact CA-CD2 3.48Å; G185-F189 WeakPolarHBondContact O-CB 3.29Å; G185-F189 WeakPolarHBondContact O-CD2 3.33Å; G185-F189 PolarHBondContact O-N 3.19Å; F189-F192 PolarHBondContact O-N 3.03Å; F189-S193 WeakPolarHBondContact O-CB 3.46Å; F189-S193 PolarHBondContact O-N 3.37Å; F189-S193 PolarHBondContact O-OG 2.88Å; F189-S193 VanDerWaalsContact O-OG 3.06Å
190	A	96.8	Very high	95.2	Very high	15 Å²	15	77.5 Å²	77.5	12%	0.124	43%	0.425	C	S	.	.	H	α-helix	trans	-59.8	-46.5	173.6	0	0	0	0	0	111.7	V163 C167 C186 A194	V163-A190 HydrophobicContact CG1-CB 3.86Å; C167-A190 HydrophobicContact CB-CB 4.09Å; C186-A190 WeakPolarHBondContact O-CB 3.5Å; C186-A190 PolarHBondContact O-N 3.47Å; A190-A194 WeakPolarHBondContact O-CB 3.26Å; A190-A194 PolarHBondContact O-N 3.02Å
191	A	96.9	Very high	94.7	Very high	62 Å²	62	79.7 Å²	79.7	51%	0.512	43%	0.428	S	S	.	.	H	α-helix	trans	-65.3	-43	177.7	0	0	0	0	0	111.8	G187 G188 A194 A195	G187-A191 WeakPolarHBondContact O-CB 3.25Å; G187-A191 PolarHBondContact O-N 2.97Å; G188-A191 PolarHBondContact O-N 3.42Å; A191-A194 PolarHBondContact O-N 2.9Å; A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 3.3Å
192	F	94.8	Very high	94.7	Very high	131 Å²	131	81.9 Å²	81.9	58%	0.575	43%	0.434	S	S	*	.	H	α-helix	trans	-61.3	-47.9	176.3	177	-108.4	0	0	0	111.8	G188 F189 A194 A195 I196	G188-F192 WeakPolarHBondContact O-CB 3.36Å; G188-F192 PolarHBondContact O-N 2.9Å; F189-F192 PolarHBondContact O-N 3.03Å; F192-A194 VanDerWaalsContact C-N 3.35Å; F192-A194 PolarHBondContact O-N 3.4Å; F192-A195 PolarHBondContact O-N 3.15Å; F192-I196 HydrophobicContact CD2-CG1 4.35Å; F192-I196 HydrophobicContact CE1-CG1 4.08Å; F192-I196 HydrophobicContact CE2-CD1 4Å; F192-I196 HydrophobicContact CE2-CG1 3.9Å; F192-I196 HydrophobicContact CZ-CD1 3.97Å; F192-I196 HydrophobicContact CZ-CG1 3.76Å; F192-I196 WeakPolarHBondContact O-CG1 3.47Å; F192-I196 PolarHBondContact O-N 3.35Å
193	S	94.6	Very high	94.7	Very high	8 Å²	8	85.9 Å²	85.9	6%	0.056	45%	0.454	C	S	.	.	H	α-helix	trans	-62.2	-40.8	176.8	-64.2	0	0	0	0	112.1	F143 A162 F189 A195 I196 E197	F143-S193 WeakPolarHBondContact CE2-OG 3.3Å; A162-S193 VanDerWaalsContact O-CB 3.27Å; A162-S193 WeakPolarHBondContact O-CB 3.19Å; F189-S193 WeakPolarHBondContact O-CB 3.46Å; F189-S193 PolarHBondContact O-N 3.37Å; F189-S193 PolarHBondContact O-OG 2.88Å; F189-S193 VanDerWaalsContact O-OG 3.06Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.19Å; S193-I196 PolarHBondContact O-N 3.16Å; S193-E197 WeakPolarHBondContact O-CB 3.39Å; S193-E197 PolarHBondContact O-N 3.34Å
194	A	95.3	Very high	94.5	Very high	35 Å²	35	84.4 Å²	84.4	29%	0.289	44%	0.442	S	S	.	.	H	α-helix	trans	-61.6	-41.5	174.6	0	0	0	0	0	112.2	V163 A190 A191 F192 E197 Y198	V163-A194 HydrophobicContact CG2-CB 3.77Å; A190-A194 WeakPolarHBondContact O-CB 3.26Å; A190-A194 PolarHBondContact O-N 3.02Å; A191-A194 PolarHBondContact O-N 2.9Å; F192-A194 VanDerWaalsContact C-N 3.35Å; F192-A194 PolarHBondContact O-N 3.4Å; A194-E197 PolarHBondContact O-N 2.99Å; A194-Y198 WeakPolarHBondContact O-CB 3.29Å; A194-Y198 PolarHBondContact O-N 3.24Å
195	A	96.4	Very high	94.4	Very high	56 Å²	56	81.1 Å²	81.1	46%	0.463	42%	0.424	S	S	.	.	H	α-helix	trans	-67.3	-41.7	179.5	0	0	0	0	0	112.2	A191 F192 S193 Y198 Y199	A191-A195 WeakPolarHBondContact O-CB 3.42Å; A191-A195 PolarHBondContact O-N 3.3Å; F192-A195 PolarHBondContact O-N 3.15Å; S193-A195 VanDerWaalsContact C-N 3.33Å; S193-A195 PolarHBondContact O-N 3.19Å; A195-Y198 PolarHBondContact O-N 3Å; A195-Y199 WeakPolarHBondContact O-CB 3.44Å; A195-Y199 PolarHBondContact O-N 3.46Å
196	I	94.1	Very high	94.4	Very high	68 Å²	68	85.3 Å²	85.3	35%	0.349	44%	0.442	S	S	.	.	H	α-helix	trans	-63.5	-45.4	175.3	-67	-64.8	0	0	0	110.7	F192 S193 Y198 Y199 L200	F192-I196 HydrophobicContact CD2-CG1 4.35Å; F192-I196 HydrophobicContact CE1-CG1 4.08Å; F192-I196 HydrophobicContact CE2-CD1 4Å; F192-I196 HydrophobicContact CE2-CG1 3.9Å; F192-I196 HydrophobicContact CZ-CD1 3.97Å; F192-I196 HydrophobicContact CZ-CG1 3.76Å; F192-I196 WeakPolarHBondContact O-CG1 3.47Å; F192-I196 PolarHBondContact O-N 3.35Å; S193-I196 PolarHBondContact O-N 3.16Å; I196-Y198 VanDerWaalsContact C-N 3.28Å; I196-Y198 PolarHBondContact O-N 2.97Å; I196-Y199 PolarHBondContact O-N 3.04Å; I196-Y199 VanDerWaalsContact O-N 3.09Å; I196-L200 HydrophobicContact CG2-CD1 3.63Å; I196-L200 HydrophobicContact CG2-CG 4.21Å; I196-L200 WeakPolarHBondContact O-CB 3.44Å; I196-L200 WeakPolarHBondContact O-CG 3.48Å; I196-L200 PolarHBondContact O-N 2.77Å
197	E	91.4	Very high	94.2	Very high	57 Å²	57	88.7 Å²	88.7	27%	0.266	46%	0.456	S	S	.	.	H	α-helix	trans	-64.3	-35	178.2	-167.2	67.2	-174.7	0	0	112	W159 S193 A194 R201	W159-E197 HydrophobicContact CB-CG 3.61Å; S193-E197 WeakPolarHBondContact O-CB 3.39Å; S193-E197 PolarHBondContact O-N 3.34Å; A194-E197 PolarHBondContact O-N 2.99Å; E197-R201 WeakPolarHBondContact O-CB 3.22Å; E197-R201 PolarHBondContact O-N 2.9Å
198	Y	94.4	Very high	94	Very high	199 Å²	199	92.3 Å²	92.3	78%	0.78	46%	0.46	S	S	*	.	H	α-helix	trans	-67.9	-35.1	172.4	-179.6	-96.1	0	0	0	112.5	A194 A195 I196	A194-Y198 WeakPolarHBondContact O-CB 3.29Å; A194-Y198 PolarHBondContact O-N 3.24Å; A195-Y198 PolarHBondContact O-N 3Å; I196-Y198 VanDerWaalsContact C-N 3.28Å; I196-Y198 PolarHBondContact O-N 2.97Å
199	Y	95.2	Very high	93.8	Very high	186 Å²	186	96.2 Å²	96.2	73%	0.729	46%	0.462	S	S	*	.	H	α-helix	trans	-76.7	-36	179.5	178.1	-97.6	0	0	0	113.2	A195 I196	A195-Y199 WeakPolarHBondContact O-CB 3.44Å; A195-Y199 PolarHBondContact O-N 3.46Å; I196-Y199 PolarHBondContact O-N 3.04Å; I196-Y199 VanDerWaalsContact O-N 3.09Å
200	L	91.9	Very high	93.7	Very high	129 Å²	129	99 Å²	99	68%	0.675	48%	0.478	S	S	*	.	H	α-helix	trans	-85.9	-5.7	-177.3	-67.8	177.9	0	0	0	114	I196	I196-L200 HydrophobicContact CG2-CD1 3.63Å; I196-L200 HydrophobicContact CG2-CG 4.21Å; I196-L200 WeakPolarHBondContact O-CB 3.44Å; I196-L200 WeakPolarHBondContact O-CG 3.48Å; I196-L200 PolarHBondContact O-N 2.77Å
201	R	82.2	Confident	93.4	Very high	242 Å²	242	106.6 Å²	106.6	91%	0.913	51%	0.51	S	S	*	.			trans	-100.7	0	-178.1	-172.3	171.6	-171.2	87.3	5.9	112.2	E197	E197-R201 WeakPolarHBondContact O-CB 3.22Å; E197-R201 PolarHBondContact O-N 2.9Å

Retrieved 201 of 201 residues in 967.3 ms (Link to these results)

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