A0A060WPJ0_ONCMY Loading...

Grancalcin

AlphaFold DB , UniProt , Accession A0A060WPJ0, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene GCA, Length 222 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	43.4	Very low	39.8	Very low	179 Å²	179	99.2 Å²	99.2	88%	0.882	65%	0.647	S	S	*	*				0	124.3	0	-85.3	168.6	172.7	0	0	106.9	Y3 Q204	M1-Y3 PolarHBondContact O-N 3.4Å; M1-Q204 PolarHBondContact N-O 3.13Å
2	A	38.5	Very low	39.5	Very low	95 Å²	95	102.2 Å²	102.2	79%	0.785	67%	0.666	S	S	*	*	P	Polyproline II helix	trans	-77	121.3	-177.7	0	0	0	0	0	110.4
3	Y	43.7	Very low	39.3	Very low	52 Å²	52	109.2 Å²	109.2	20%	0.204	69%	0.688	C	S	.	*	P	Polyproline II helix	trans	-76.5	148.2	172.9	-65.9	-85.2	0	0	0	110.7	M1 G5 T194 F197 R198 D201 G206	M1-Y3 PolarHBondContact O-N 3.4Å; Y3-G5 PolarHBondContact O-N 3.21Å; Y3-G5 VanDerWaalsContact O-N 3.13Å; Y3-T194 HydrophobicContact CD1-CG2 4.41Å; Y3-F197 HydrophobicContact CE1-CD1 4.22Å; Y3-F197 AromaticContact CZ-CD1 3.99Å; Y3-F197 AromaticContact CZ-CE1 3.98Å; Y3-F197 WeakPolarHBondContact OH-CD1 3.2Å; Y3-F197 WeakPolarHBondContact OH-CE1 3.36Å; Y3-R198 VanDerWaalsContact CB-NE 3.33Å; Y3-R198 HydrophobicContact CD1-CG 3.59Å; Y3-R198 HydrophobicContact CD2-CG 3.97Å; Y3-R198 HydrophobicContact CE1-CG 3.88Å; Y3-R198 HydrophobicContact CE2-CG 4.24Å; Y3-R198 HydrophobicContact CG-CG 3.66Å; Y3-D201 WeakPolarHBondContact CE2-OD2 3.23Å; Y3-D201 PolarHBondContact OH-OD2 2.89Å; Y3-D201 VanDerWaalsContact OH-OD2 3.05Å; Y3-G206 WeakPolarHBondContact OH-CA 3.42Å
4	P	51.1	Low	39	Very low	31 Å²	31	115.1 Å²	115.1	20%	0.201	70%	0.703	C	S	.	*	P	Polyproline II helix	trans	-59.7	120.3	174.5	23.6	-31.6	0	0	0	110	G157 R198	P4-G157 WeakPolarHBondContact CD-O 3.46Å; P4-G157 WeakPolarHBondContact CG-O 3.35Å; P4-R198 PolarHBondContact O-NH1 3.08Å
5	G	39.5	Very low	38.7	Very low	62 Å²	62	112.5 Å²	112.5	64%	0.639	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-76.8	119	168.4	0	0	0	0	0	108.6	Y3 G7	Y3-G5 PolarHBondContact O-N 3.21Å; Y3-G5 VanDerWaalsContact O-N 3.13Å; G5-G7 PolarHBondContact O-N 3.36Å
6	Y	43.6	Very low	38.3	Very low	142 Å²	142	117.8 Å²	117.8	56%	0.557	73%	0.725	S	S	*	*			trans	-74.9	80	160.4	-90.2	-90.3	0	0	0	107.2
7	G	37.1	Very low	38.3	Very low	64 Å²	64	122.1 Å²	122.1	66%	0.66	74%	0.735	S	S	*	*			trans	-79.5	125.4	173.3	0	0	0	0	0	109.6	G5	G5-G7 PolarHBondContact O-N 3.36Å
8	G	35	Very low	38.4	Very low	73 Å²	73	122.8 Å²	122.8	75%	0.753	74%	0.742	S	S	*	*			trans	-54.7	143.2	174.1	0	0	0	0	0	112.1	G10	G8-G10 PolarHBondContact O-N 2.87Å
9	Y	35.8	Very low	38.2	Very low	253 Å²	253	126.9 Å²	126.9	99%	0.992	75%	0.753	S	S	*	*	S	Bend	trans	-62.8	97	166.1	-79.9	-93.7	0	0	0	109.1
10	G	34.7	Very low	37.8	Very low	66 Å²	66	124.1 Å²	124.1	68%	0.68	75%	0.751	S	S	*	*			trans	-165.2	93.7	174.4	0	0	0	0	0	109.4	G8	G8-G10 PolarHBondContact O-N 2.87Å
11	G	35.2	Very low	37.6	Very low	74 Å²	74	127.1 Å²	127.1	76%	0.763	76%	0.759	S	S	*	*	P	Polyproline II helix	trans	-64.8	146.6	178.3	0	0	0	0	0	112	M13	G11-M13 PolarHBondContact O-N 3.33Å
12	P	36.4	Very low	37.8	Very low	135 Å²	135	124.4 Å²	124.4	88%	0.877	76%	0.755	S	S	*	*	P	Polyproline II helix	trans	-80.5	121	175.8	29.9	-29.7	0	0	0	110.4
13	M	37	Very low	37.9	Very low	194 Å²	194	128.9 Å²	128.9	96%	0.956	76%	0.762	S	S	*	*	P	Polyproline II helix	trans	-81.4	132.4	167.5	-144.4	178.5	-155.9	0	0	109.4	G11	G11-M13 PolarHBondContact O-N 3.33Å
14	Q	34.6	Very low	37.5	Very low	192 Å²	192	136.1 Å²	136.1	90%	0.897	80%	0.798	S	S	*	*	P	Polyproline II helix	trans	-60.8	149.8	-175.9	-75.5	166.5	-41.2	0	0	113.8
15	G	34.8	Very low	36.5	Very low	76 Å²	76	138.2 Å²	138.2	78%	0.784	83%	0.825	S	S	*	*	P	Polyproline II helix	trans	-73	162.6	177.3	0	0	0	0	0	115.1
16	M	32.9	Very low	36.2	Very low	197 Å²	197	138.9 Å²	138.9	97%	0.97	83%	0.832	S	S	*	*			trans	-143.2	136.1	161.7	-107	177.3	167.6	0	0	109.7
17	Q	37.8	Very low	36.3	Very low	191 Å²	191	138 Å²	138	89%	0.893	84%	0.843	S	S	*	*			trans	-73.3	162.8	-175.8	-71.3	168.2	-67.9	0	0	113.2
18	P	41.1	Very low	36.1	Very low	134 Å²	134	144 Å²	144	87%	0.87	86%	0.857	S	S	*	*			trans	-90.1	140.7	176.5	34.8	-30	0	0	0	111.9
19	Q	33	Very low	36	Very low	202 Å²	202	144.6 Å²	144.6	94%	0.944	86%	0.862	S	S	*	*			trans	-131.7	131.2	172.5	-160.7	167.4	-7.2	0	0	109.4
20	G	32	Very low	35.9	Very low	69 Å²	69	136 Å²	136	71%	0.711	85%	0.851	S	S	*	*			trans	-101.9	179.7	-169.7	0	0	0	0	0	116.7
21	M	33.3	Very low	36.5	Very low	188 Å²	188	139 Å²	139	93%	0.926	86%	0.858	S	S	*	*			trans	78	156.8	164.6	-71.2	-162.9	-176.4	0	0	119.3
22	P	47.3	Very low	36.9	Very low	122 Å²	122	141.7 Å²	141.7	79%	0.792	86%	0.862	S	S	*	*			cis	-134.6	-177.1	-20.2	30.6	-8.3	0	0	0	115.1
23	M	39.4	Very low	36.9	Very low	189 Å²	189	144.8 Å²	144.8	93%	0.931	87%	0.865	S	S	*	*			trans	-44.6	149.8	174.3	-80.6	-148.3	-157	0	0	118
24	Q	35.3	Very low	36.8	Very low	204 Å²	204	140 Å²	140	95%	0.953	86%	0.856	S	S	*	*			trans	-154.5	144.7	136.3	-155.7	167.4	60.6	0	0	110.9
25	G	31.9	Very low	36.7	Very low	75 Å²	75	134.5 Å²	134.5	77%	0.773	85%	0.852	S	S	*	*			trans	-112.3	167.8	-162.1	0	0	0	0	0	117.9
26	G	31.7	Very low	36.7	Very low	76 Å²	76	141.7 Å²	141.7	78%	0.784	86%	0.857	S	S	*	*			trans	83.8	164.4	154	0	0	0	0	0	118.5
27	P	45.7	Very low	37.3	Very low	123 Å²	123	138.1 Å²	138.1	80%	0.799	85%	0.848	S	S	*	*			cis	-137.1	170.2	-31.5	38.5	-21.3	0	0	0	115.4
28	M	34.3	Very low	37	Very low	192 Å²	192	138.5 Å²	138.5	95%	0.946	85%	0.85	S	S	*	*			trans	59.7	121.1	148.7	-85.5	-173.1	-179.8	0	0	123.3
29	G	31.9	Very low	36.7	Very low	84 Å²	84	139.9 Å²	139.9	87%	0.866	85%	0.85	S	S	*	*				108.5	110.9	112.7	0	0	0	0	0	119.2
30	G	34.8	Very low	36.6	Very low	73 Å²	73	133.9 Å²	133.9	75%	0.753	84%	0.843	S	S	*	*			trans	174	124.3	162.2	0	0	0	0	0	113.6
31	P	46.8	Very low	36.6	Very low	128 Å²	128	134.4 Å²	134.4	83%	0.831	85%	0.848	S	S	*	*			trans	-85	165.7	-168.5	33.6	-35.4	0	0	0	115
32	P	43.5	Very low	36.4	Very low	132 Å²	132	128.5 Å²	128.5	86%	0.857	84%	0.835	S	S	*	*			trans	-90.1	141	-173.3	35.3	-31	0	0	0	112.1
33	Q	35.9	Very low	35.7	Very low	199 Å²	199	133.6 Å²	133.6	93%	0.93	84%	0.84	S	S	*	*			trans	-110	119.3	173.9	-154.2	168.7	-14.7	0	0	110.7
34	A	35.5	Very low	35.7	Very low	93 Å²	93	130.6 Å²	130.6	77%	0.769	84%	0.835	S	S	*	*			trans	-72.5	137.6	179.4	0	0	0	0	0	112.1
35	G	32.8	Very low	35.8	Very low	78 Å²	78	123.5 Å²	123.5	80%	0.804	82%	0.816	S	S	*	*			trans	-119.6	121.1	165.7	0	0	0	0	0	110
36	Y	33.9	Very low	36.3	Very low	227 Å²	227	126.7 Å²	126.7	89%	0.89	82%	0.821	S	S	*	*			trans	-71.7	157.9	174.9	-88.3	-95	0	0	0	112.2
37	P	45.1	Very low	36.8	Very low	122 Å²	122	132.2 Å²	132.2	79%	0.792	82%	0.824	S	S	*	*			trans	-90.2	149.9	-174.1	35.9	-30.9	0	0	0	112.1
38	Q	32.8	Very low	37	Very low	198 Å²	198	130.9 Å²	130.9	93%	0.925	82%	0.823	S	S	*	*			trans	-125.5	118.5	165.2	-165.1	164.1	7.8	0	0	111.1
39	N	33.1	Very low	37.4	Very low	163 Å²	163	125.5 Å²	125.5	87%	0.872	81%	0.809	S	S	*	*			trans	-76.8	139.6	179.4	-171.8	12.3	0	0	0	111
40	G	31.8	Very low	38.3	Very low	77 Å²	77	126.6 Å²	126.6	79%	0.794	80%	0.801	S	S	*	*			trans	-169.1	95.5	171.3	0	0	0	0	0	110.8
41	G	31.9	Very low	39.2	Very low	80 Å²	80	128.9 Å²	128.9	83%	0.825	80%	0.803	S	S	*	*			trans	-79.9	171.7	-170.7	0	0	0	0	0	116.6
42	G	29	Very low	39.4	Very low	64 Å²	64	131.8 Å²	131.8	66%	0.66	81%	0.805	S	S	*	*			trans	160.3	102.6	164.5	0	0	0	0	0	115.4
43	Y	33.7	Very low	40	Very low	228 Å²	228	131.4 Å²	131.4	89%	0.894	79%	0.792	S	S	*	*			trans	72.5	123.6	156.2	-59.3	-83.6	0	0	0	121.2	G45	Y43-G45 PolarHBondContact O-N 2.96Å
44	P	39.5	Very low	41.1	Very low	127 Å²	127	124.5 Å²	124.5	83%	0.825	76%	0.764	S	S	*	*			trans	-89.6	87.7	167.5	34.9	-25.7	0	0	0	109.4
45	G	36.8	Very low	42.2	Very low	54 Å²	54	125.5 Å²	125.5	56%	0.557	76%	0.761	S	S	*	*			trans	-94.7	93	164.7	0	0	0	0	0	108.9	Y43 F47	Y43-G45 PolarHBondContact O-N 2.96Å; G45-F47 PolarHBondContact O-N 2.91Å
46	T	42.7	Very low	43.7	Very low	142 Å²	142	129.5 Å²	129.5	87%	0.871	76%	0.764	S	S	*	*			trans	-70.3	77.9	166.9	50.8	0	0	0	0	108.7	A48	T46-A48 PolarHBondContact O-N 3.16Å
47	F	41.8	Very low	45.6	Very low	193 Å²	193	120.4 Å²	120.4	85%	0.846	73%	0.731	S	S	*	*			trans	-74.3	102.4	156.6	-71.4	-81.4	0	0	0	105.7	G45 A49	G45-F47 PolarHBondContact O-N 2.91Å; F47-A49 PolarHBondContact O-N 2.68Å; F47-A49 VanDerWaalsContact O-N 3.1Å
48	A	49	Very low	47.2	Very low	94 Å²	94	119.7 Å²	119.7	78%	0.777	73%	0.726	S	S	*	*	P	Polyproline II helix	trans	-51.7	120.3	162.2	0	0	0	0	0	106.7	T46	T46-A48 PolarHBondContact O-N 3.16Å
49	A	43.4	Very low	49.3	Very low	80 Å²	80	112.6 Å²	112.6	66%	0.661	69%	0.693	S	S	*	*	P	Polyproline II helix	trans	-54.1	134.7	171.9	0	0	0	0	0	107.6	F47	F47-A49 PolarHBondContact O-N 2.68Å; F47-A49 VanDerWaalsContact O-N 3.1Å
50	P	49.7	Very low	51.7	Low	107 Å²	107	107.5 Å²	107.5	70%	0.695	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-52.2	143.7	169.5	21.7	-30.5	0	0	0	108.2	Q52	P50-Q52 PolarHBondContact O-N 2.77Å
51	P	54.2	Low	54.1	Low	121 Å²	121	105.7 Å²	105.7	79%	0.786	64%	0.643	S	S	*	*	P	Polyproline II helix	trans	-47.3	124.7	-179.6	11.5	-22.4	0	0	0	108.6	Q53	P51-Q53 PolarHBondContact O-N 3.22Å
52	Q	51.8	Low	56.4	Low	188 Å²	188	108.6 Å²	108.6	88%	0.879	63%	0.63	S	S	*	*			trans	-56	106.2	-174.3	-74.7	-178.7	-34.9	0	0	108.3	P50	P50-Q52 PolarHBondContact O-N 2.77Å
53	Q	55.7	Low	59	Low	125 Å²	125	105.9 Å²	105.9	58%	0.584	60%	0.6	S	S	*	*			trans	-58.5	139	176	-66.7	176.4	-25.3	0	0	107.9	P51 V55 W60	P51-Q53 PolarHBondContact O-N 3.22Å; Q53-V55 HydrophobicContact CB-CG2 4.07Å; Q53-V55 VanDerWaalsContact O-CG2 3.22Å; Q53-V55 WeakPolarHBondContact O-CG2 3.39Å; Q53-V55 PolarHBondContact O-N 3.05Å; Q53-W60 HydrophobicContact CB-CZ2 4.28Å; Q53-W60 HydrophobicContact CG-CZ2 4.07Å
54	P	59.6	Low	61.5	Low	53 Å²	53	98.3 Å²	98.3	34%	0.344	58%	0.578	S	S	.	*			trans	-73.8	77.1	172.3	28.2	-29.4	0	0	0	108.8	N56 D57 W60 F116	P54-N56 PolarHBondContact O-N 3.05Å; P54-D57 PolarHBondContact O-N 2.95Å; P54-W60 HydrophobicContact CG-CD2 3.86Å; P54-W60 HydrophobicContact CG-CE3 3.59Å; P54-W60 HydrophobicContact CG-CG 4.32Å; P54-W60 HydrophobicContact CG-CZ3 4.04Å; P54-F116 HydrophobicContact CB-CE1 4.2Å; P54-F116 HydrophobicContact CG-CD1 3.81Å; P54-F116 HydrophobicContact CG-CE1 3.43Å; P54-F116 VanDerWaalsContact CG-CE1 3.43Å; P54-F116 HydrophobicContact CG-CZ 4.27Å
55	V	57.4	Low	63.6	Low	115 Å²	115	97.5 Å²	97.5	70%	0.697	57%	0.571	S	S	*	*	T	Hydrogen-bonded Turn	trans	-61.7	-7.3	-169.8	-170.8	0	0	0	0	113.9	Q53	Q53-V55 HydrophobicContact CB-CG2 4.07Å; Q53-V55 VanDerWaalsContact O-CG2 3.22Å; Q53-V55 WeakPolarHBondContact O-CG2 3.39Å; Q53-V55 PolarHBondContact O-N 3.05Å
56	N	64.7	Low	65.8	Low	161 Å²	161	96 Å²	96	86%	0.861	55%	0.55	S	S	*	.	T	Hydrogen-bonded Turn	trans	-117.3	7.9	-175.9	-83.7	-21.3	0	0	0	115.5	P54 P58	P54-N56 PolarHBondContact O-N 3.05Å; N56-P58 WeakPolarHBondContact O-CD 3.09Å
57	D	74.6	Confident	67.9	Low	37 Å²	37	90.1 Å²	90.1	20%	0.198	52%	0.516	C	S	.	.			trans	-93.1	119	176.4	-161.4	-41.5	0	0	0	111.1	P54 M59 W60 F116 K120	P54-D57 PolarHBondContact O-N 2.95Å; D57-M59 PolarHBondContact O-N 3.15Å; D57-M59 VanDerWaalsContact O-N 3.12Å; D57-M59 WeakPolarHBondContact OD1-CB 3.36Å; D57-M59 PolarHBondContact OD1-N 3.16Å; D57-W60 HydrophobicContact CB-CB 4.25Å; D57-W60 WeakPolarHBondContact O-CB 3.07Å; D57-W60 PolarHBondContact O-N 2.99Å; D57-F116 HydrophobicContact CB-CE1 4.44Å; D57-F116 HydrophobicContact CB-CZ 3.92Å; D57-K120 WeakPolarHBondContact OD2-CD 3.44Å; D57-K120 WeakPolarHBondContact OD2-CE 3.22Å; D57-K120 IonicContact OD2-NZ 2.65Å; D57-K120 PolarHBondContact OD2-NZ 3.16Å
58	P	77.1	Confident	69.9	Low	107 Å²	107	82.1 Å²	82.1	70%	0.695	49%	0.487	S	S	*	.	H	α-helix	trans	-55.6	-28.2	175	-24.6	34.1	0	0	0	113.5	N56 W60 Y62	N56-P58 WeakPolarHBondContact O-CD 3.09Å; P58-W60 VanDerWaalsContact C-N 3.3Å; P58-W60 PolarHBondContact O-N 2.88Å; P58-Y62 VanDerWaalsContact O-CD2 3.27Å; P58-Y62 WeakPolarHBondContact O-CD2 3.41Å
59	M	78.8	Confident	71.5	Confident	49 Å²	49	87.9 Å²	87.9	24%	0.241	50%	0.498	C	S	.	.	H	α-helix	trans	-72.6	-20.2	175.1	-75.8	-171.4	-89.6	0	0	113.3	D57 Y62 F63 F116 K120 F123	D57-M59 PolarHBondContact O-N 3.15Å; D57-M59 VanDerWaalsContact O-N 3.12Å; D57-M59 WeakPolarHBondContact OD1-CB 3.36Å; D57-M59 PolarHBondContact OD1-N 3.16Å; M59-Y62 PolarHBondContact O-N 3.47Å; M59-F63 WeakPolarHBondContact O-CB 3.38Å; M59-F63 PolarHBondContact O-N 3.13Å; M59-F116 HydrophobicContact CB-CE2 4.18Å; M59-F116 HydrophobicContact CB-CZ 4.49Å; M59-K120 HydrophobicContact CB-CG 4.17Å; M59-K120 HydrophobicContact CE-CB 4.22Å; M59-K120 HydrophobicContact CE-CD 4.49Å; M59-K120 HydrophobicContact CE-CG 3.92Å; M59-K120 HydrophobicContact SD-CB 4.35Å; M59-K120 HydrophobicContact SD-CG 3.97Å; M59-F123 HydrophobicContact SD-CB 3.99Å; M59-F123 HydrophobicContact SD-CD1 4.1Å; M59-F123 HydrophobicContact SD-CG 4.22Å
60	W	81.9	Confident	73.6	Confident	56 Å²	56	88 Å²	88	21%	0.212	49%	0.488	C	S	.	.	H	α-helix	trans	-63.7	-42.6	178.3	-177.6	-108.7	0	0	0	111.4	Q53 P54 D57 P58 Y62 F63 T64 F116	Q53-W60 HydrophobicContact CB-CZ2 4.28Å; Q53-W60 HydrophobicContact CG-CZ2 4.07Å; P54-W60 HydrophobicContact CG-CD2 3.86Å; P54-W60 HydrophobicContact CG-CE3 3.59Å; P54-W60 HydrophobicContact CG-CG 4.32Å; P54-W60 HydrophobicContact CG-CZ3 4.04Å; D57-W60 HydrophobicContact CB-CB 4.25Å; D57-W60 WeakPolarHBondContact O-CB 3.07Å; D57-W60 PolarHBondContact O-N 2.99Å; P58-W60 VanDerWaalsContact C-N 3.3Å; P58-W60 PolarHBondContact O-N 2.88Å; W60-Y62 VanDerWaalsContact C-N 3.32Å; W60-Y62 PolarHBondContact O-N 2.73Å; W60-F63 HydrophobicContact CE3-CD1 4.04Å; W60-F63 HydrophobicContact CH2-CD1 4.34Å; W60-F63 HydrophobicContact CH2-CE1 4.4Å; W60-F63 AromaticContact CZ3-CD1 3.81Å; W60-F63 HydrophobicContact CZ3-CD1 3.81Å; W60-F63 HydrophobicContact CZ3-CE1 4.05Å; W60-F63 WeakPolarHBondContact O-CB 3.49Å; W60-F63 PolarHBondContact O-N 3.34Å; W60-T64 HydrophobicContact CD2-CG2 4.07Å; W60-T64 HydrophobicContact CG-CG2 4.42Å; W60-T64 HydrophobicContact CZ2-CG2 3.82Å; W60-T64 WeakPolarHBondContact O-CG2 3.35Å; W60-T64 PolarHBondContact O-N 2.97Å; W60-T64 PolarHBondContact O-OG1 3.39Å; W60-F116 VanDerWaalsContact CA-CE2 3.47Å; W60-F116 HydrophobicContact CB-CE2 4.06Å; W60-F116 HydrophobicContact CB-CZ 3.82Å; W60-F116 HydrophobicContact CD2-CZ 4.47Å; W60-F116 HydrophobicContact CE3-CB 4.12Å; W60-F116 AromaticContact CE3-CD1 3.53Å; W60-F116 HydrophobicContact CE3-CD1 3.53Å; W60-F116 AromaticContact CE3-CD2 3.53Å; W60-F116 HydrophobicContact CE3-CD2 3.53Å; W60-F116 AromaticContact CE3-CE1 3.69Å; W60-F116 HydrophobicContact CE3-CE1 3.69Å; W60-F116 AromaticContact CE3-CE2 3.7Å; W60-F116 HydrophobicContact CE3-CE2 3.7Å; W60-F116 AromaticContact CE3-CG 3.43Å; W60-F116 HydrophobicContact CE3-CG 3.43Å; W60-F116 VanDerWaalsContact CE3-CG 3.43Å; W60-F116 AromaticContact CE3-CZ 3.75Å; W60-F116 HydrophobicContact CE3-CZ 3.75Å; W60-F116 HydrophobicContact CZ3-CB 3.67Å; W60-F116 AromaticContact CZ3-CD1 3.74Å; W60-F116 HydrophobicContact CZ3-CD1 3.74Å; W60-F116 AromaticContact CZ3-CD2 3.98Å; W60-F116 HydrophobicContact CZ3-CD2 3.98Å; W60-F116 HydrophobicContact CZ3-CE1 4.35Å; W60-F116 AromaticContact CZ3-CG 3.51Å; W60-F116 HydrophobicContact CZ3-CG 3.51Å
61	G	82.3	Confident	75.3	Confident	39 Å²	39	84.8 Å²	84.8	40%	0.402	47%	0.474	S	S	.	.	H	α-helix	trans	-62.5	-39	177.5	0	0	0	0	0	112.8	T64 T65	G61-T64 PolarHBondContact O-OG1 3.01Å; G61-T64 VanDerWaalsContact O-OG1 3.11Å; G61-T65 PolarHBondContact O-N 2.89Å; G61-T65 PolarHBondContact O-OG1 3.02Å
62	Y	80.6	Confident	77	Confident	141 Å²	141	81.5 Å²	81.5	55%	0.553	45%	0.448	S	S	*	.	H	α-helix	trans	-64.5	-51.5	172.6	-68.1	-72.4	0	0	0	110.6	P58 M59 W60 T64 T65 I66	P58-Y62 VanDerWaalsContact O-CD2 3.27Å; P58-Y62 WeakPolarHBondContact O-CD2 3.41Å; M59-Y62 PolarHBondContact O-N 3.47Å; W60-Y62 VanDerWaalsContact C-N 3.32Å; W60-Y62 PolarHBondContact O-N 2.73Å; Y62-T64 PolarHBondContact O-N 3.41Å; Y62-T65 WeakPolarHBondContact O-CB 3.37Å; Y62-T65 PolarHBondContact O-N 3.35Å; Y62-I66 VanDerWaalsContact O-CD1 3.23Å; Y62-I66 WeakPolarHBondContact O-CD1 3.35Å; Y62-I66 WeakPolarHBondContact O-CG1 2.93Å; Y62-I66 PolarHBondContact O-N 3.27Å
63	F	84.6	Confident	78.9	Confident	6 Å²	6	72.5 Å²	72.5	3%	0.026	41%	0.406	C	S	.	.	H	α-helix	trans	-52.2	-50.8	178.9	178.8	-97	0	0	0	112.1	M59 W60 T65 I66 A67 G71 I73 F116 F119	M59-F63 WeakPolarHBondContact O-CB 3.38Å; M59-F63 PolarHBondContact O-N 3.13Å; W60-F63 HydrophobicContact CE3-CD1 4.04Å; W60-F63 HydrophobicContact CH2-CD1 4.34Å; W60-F63 HydrophobicContact CH2-CE1 4.4Å; W60-F63 AromaticContact CZ3-CD1 3.81Å; W60-F63 HydrophobicContact CZ3-CD1 3.81Å; W60-F63 HydrophobicContact CZ3-CE1 4.05Å; W60-F63 WeakPolarHBondContact O-CB 3.49Å; W60-F63 PolarHBondContact O-N 3.34Å; F63-T65 PolarHBondContact O-N 3.27Å; F63-I66 PolarHBondContact O-N 3.38Å; F63-I66 VanDerWaalsContact O-N 3.07Å; F63-A67 HydrophobicContact CD1-CB 4.27Å; F63-A67 HydrophobicContact CE1-CB 3.93Å; F63-A67 HydrophobicContact CE2-CB 4.38Å; F63-A67 HydrophobicContact CZ-CB 3.99Å; F63-A67 VanDerWaalsContact O-CB 3.24Å; F63-A67 WeakPolarHBondContact O-CB 3.5Å; F63-A67 PolarHBondContact O-N 2.94Å; F63-G71 VanDerWaalsContact CZ-O 3.24Å; F63-G71 WeakPolarHBondContact CZ-O 3.49Å; F63-I73 HydrophobicContact CD2-CD1 3.32Å; F63-I73 HydrophobicContact CD2-CG1 4.01Å; F63-I73 HydrophobicContact CE2-CD1 3.53Å; F63-I73 HydrophobicContact CE2-CG1 3.71Å; F63-I73 HydrophobicContact CG-CD1 4.3Å; F63-I73 HydrophobicContact CZ-CG1 4.48Å; F63-F116 HydrophobicContact CB-CD2 3.59Å; F63-F116 HydrophobicContact CB-CE2 3.92Å; F63-F116 HydrophobicContact CD1-CB 4.08Å; F63-F116 AromaticContact CD1-CD2 3.92Å; F63-F116 HydrophobicContact CD1-CD2 3.92Å; F63-F116 HydrophobicContact CD1-CG 4.35Å; F63-F116 HydrophobicContact CD2-CB 4.2Å; F63-F116 AromaticContact CD2-CD2 3.88Å; F63-F116 HydrophobicContact CD2-CD2 3.88Å; F63-F116 HydrophobicContact CE1-CB 3.93Å; F63-F116 VanDerWaalsContact CE2-CA 3.49Å; F63-F116 HydrophobicContact CE2-CB 4.07Å; F63-F116 HydrophobicContact CG-CB 4.22Å; F63-F116 AromaticContact CG-CD2 3.51Å; F63-F116 HydrophobicContact CG-CD2 3.51Å; F63-F116 HydrophobicContact CG-CE2 4.34Å; F63-F116 HydrophobicContact CG-CG 4.3Å; F63-F116 HydrophobicContact CZ-CB 3.93Å; F63-F119 HydrophobicContact CB-CD1 4.14Å; F63-F119 HydrophobicContact CB-CE1 4.3Å; F63-F119 HydrophobicContact CD2-CB 3.9Å; F63-F119 AromaticContact CD2-CD1 3.93Å; F63-F119 HydrophobicContact CD2-CD1 3.93Å; F63-F119 AromaticContact CD2-CG 3.91Å; F63-F119 HydrophobicContact CD2-CG 3.91Å; F63-F119 HydrophobicContact CE2-CB 4.2Å
64	T	84.9	Confident	80.6	Confident	70 Å²	70	69 Å²	69	43%	0.429	39%	0.392	S	S	.	.	H	α-helix	trans	-67.5	-21.9	-179.1	55.1	0	0	0	0	114.3	W60 G61 Y62 I66	W60-T64 HydrophobicContact CD2-CG2 4.07Å; W60-T64 HydrophobicContact CG-CG2 4.42Å; W60-T64 HydrophobicContact CZ2-CG2 3.82Å; W60-T64 WeakPolarHBondContact O-CG2 3.35Å; W60-T64 PolarHBondContact O-N 2.97Å; W60-T64 PolarHBondContact O-OG1 3.39Å; G61-T64 PolarHBondContact O-OG1 3.01Å; G61-T64 VanDerWaalsContact O-OG1 3.11Å; Y62-T64 PolarHBondContact O-N 3.41Å; T64-I66 VanDerWaalsContact C-N 3.28Å
65	T	83.8	Confident	82.2	Confident	110 Å²	110	67.2 Å²	67.2	68%	0.675	38%	0.381	S	S	*	.	H	α-helix	trans	-77.2	-23.3	176.3	-56.7	0	0	0	0	111.4	G61 Y62 F63	G61-T65 PolarHBondContact O-N 2.89Å; G61-T65 PolarHBondContact O-OG1 3.02Å; Y62-T65 WeakPolarHBondContact O-CB 3.37Å; Y62-T65 PolarHBondContact O-N 3.35Å; F63-T65 PolarHBondContact O-N 3.27Å
66	I	84.1	Confident	83.8	Confident	21 Å²	21	67.1 Å²	67.1	11%	0.108	37%	0.373	C	S	.	.	H	α-helix	trans	-106.1	-38.7	-171.2	-69.2	152.8	0	0	0	111.2	Y62 F63 T64 I73 E77 C81	Y62-I66 VanDerWaalsContact O-CD1 3.23Å; Y62-I66 WeakPolarHBondContact O-CD1 3.35Å; Y62-I66 WeakPolarHBondContact O-CG1 2.93Å; Y62-I66 PolarHBondContact O-N 3.27Å; F63-I66 PolarHBondContact O-N 3.38Å; F63-I66 VanDerWaalsContact O-N 3.07Å; T64-I66 VanDerWaalsContact C-N 3.28Å; I66-I73 HydrophobicContact CB-CD1 4.31Å; I66-I73 HydrophobicContact CG2-CD1 3.83Å; I66-I73 HydrophobicContact CG2-CG1 4.04Å; I66-I73 HydrophobicContact CG2-CG2 4.07Å; I66-E77 HydrophobicContact CG2-CB 3.94Å; I66-E77 WeakPolarHBondContact CG2-O 3.42Å; I66-C81 HydrophobicContact CB-CB 4.37Å; I66-C81 HydrophobicContact CD1-CB 3.25Å; I66-C81 WeakPolarHBondContact CD1-SG 3.47Å; I66-C81 HydrophobicContact CG1-CB 3.78Å; I66-C81 HydrophobicContact CG2-CB 3.75Å
67	A	86.6	Confident	85.1	Confident	19 Å²	19	60.7 Å²	60.7	16%	0.157	34%	0.338	C	S	.	.	S	Bend	trans	-63.8	142	-178.2	0	0	0	0	0	111.5	F63 E72 I73	F63-A67 HydrophobicContact CD1-CB 4.27Å; F63-A67 HydrophobicContact CE1-CB 3.93Å; F63-A67 HydrophobicContact CE2-CB 4.38Å; F63-A67 HydrophobicContact CZ-CB 3.99Å; F63-A67 VanDerWaalsContact O-CB 3.24Å; F63-A67 WeakPolarHBondContact O-CB 3.5Å; F63-A67 PolarHBondContact O-N 2.94Å; A67-E72 WeakPolarHBondContact CA-O 3.41Å; A67-E72 WeakPolarHBondContact CB-O 3.45Å; A67-I73 HydrophobicContact CB-CG1 3.9Å
68	G	83.1	Confident	85.8	Confident	25 Å²	25	59 Å²	59	26%	0.258	33%	0.329	S	S	.	.			trans	-68.9	-176.3	176.7	0	0	0	0	0	113.1	D70 G71 E72 E77	G68-D70 PolarHBondContact O-N 2.9Å; G68-G71 PolarHBondContact O-N 3.25Å; G68-E72 PolarHBondContact N-O 3.05Å; G68-E77 WeakPolarHBondContact CA-OE1 3.27Å; G68-E77 PolarHBondContact N-OE1 2.68Å
69	Q	82.7	Confident	86.4	Confident	215 Å²	215	56.8 Å²	56.8	100%	1.005	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-19	177	-65.4	-177.6	5.8	0	0	113.2	G71	Q69-G71 VanDerWaalsContact C-N 3.28Å
70	D	87.1	Confident	86.7	Confident	83 Å²	83	60.9 Å²	60.9	44%	0.444	32%	0.322	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-10.6	174.4	54.1	3.9	0	0	0	113.2	G68 E72 K113	G68-D70 PolarHBondContact O-N 2.9Å; D70-E72 VanDerWaalsContact C-N 3.33Å; D70-E72 PolarHBondContact OD1-N 3.44Å; D70-K113 IonicContact OD2-NZ 3.19Å; D70-K113 PolarHBondContact OD2-NZ 3.36Å
71	G	86	Confident	86.9	Confident	39 Å²	39	58.2 Å²	58.2	40%	0.402	31%	0.312	S	S	.	.	S	Bend	trans	76.1	21.4	179.6	0	0	0	0	0	113.6	F63 G68 Q69	F63-G71 VanDerWaalsContact CZ-O 3.24Å; F63-G71 WeakPolarHBondContact CZ-O 3.49Å; G68-G71 PolarHBondContact O-N 3.25Å; Q69-G71 VanDerWaalsContact C-N 3.28Å
72	E	90.3	Very high	87	Confident	52 Å²	52	56.4 Å²	56.4	24%	0.243	29%	0.293	C	S	.	.			trans	-125.8	166.7	175.2	-61.9	-178.6	147.8	0	0	110.1	A67 G68 D70 K113 L114	A67-E72 WeakPolarHBondContact CA-O 3.41Å; A67-E72 WeakPolarHBondContact CB-O 3.45Å; G68-E72 PolarHBondContact N-O 3.05Å; D70-E72 VanDerWaalsContact C-N 3.33Å; D70-E72 PolarHBondContact OD1-N 3.44Å; E72-K113 HydrophobicContact CB-CB 3.84Å; E72-K113 HydrophobicContact CB-CD 3.93Å; E72-K113 WeakPolarHBondContact OE2-CD 3.49Å; E72-L114 WeakPolarHBondContact CA-O 3.47Å
73	I	90.7	Very high	87.1	Confident	0 Å²	0	52.9 Å²	52.9	0%	0	29%	0.286	C	S	.	.	B	Isolated β-bridge	trans	-114.5	121.1	179.6	-64.7	176.5	0	0	0	109.8	F63 I66 A67 E77 L78 K113 L114 F119	F63-I73 HydrophobicContact CD2-CD1 3.32Å; F63-I73 HydrophobicContact CD2-CG1 4.01Å; F63-I73 HydrophobicContact CE2-CD1 3.53Å; F63-I73 HydrophobicContact CE2-CG1 3.71Å; F63-I73 HydrophobicContact CG-CD1 4.3Å; F63-I73 HydrophobicContact CZ-CG1 4.48Å; I66-I73 HydrophobicContact CB-CD1 4.31Å; I66-I73 HydrophobicContact CG2-CD1 3.83Å; I66-I73 HydrophobicContact CG2-CG1 4.04Å; I66-I73 HydrophobicContact CG2-CG2 4.07Å; A67-I73 HydrophobicContact CB-CG1 3.9Å; I73-E77 WeakPolarHBondContact CA-OE2 3.17Å; I73-E77 HydrophobicContact CG2-CB 3.86Å; I73-L78 HydrophobicContact CG2-CB 3.85Å; I73-K113 CarbonylContact O-C 3.59Å; I73-K113 WeakPolarHBondContact O-CA 3.43Å; I73-L114 HydrophobicContact CB-CB 4.32Å; I73-L114 PolarHBondContact N-O 2.86Å; I73-L114 PolarHBondContact O-N 3.06Å; I73-F119 HydrophobicContact CD1-CB 4.45Å; I73-F119 HydrophobicContact CD1-CD2 3.62Å; I73-F119 HydrophobicContact CD1-CE2 3.98Å; I73-F119 HydrophobicContact CD1-CG 4Å
74	D	92.8	Very high	86.9	Confident	51 Å²	51	59.4 Å²	59.4	27%	0.273	32%	0.317	S	S	.	.			trans	-86	177.8	170.6	76.7	30.6	0	0	0	113.4	E76 E77 L78 K113	D74-E76 VanDerWaalsContact C-N 3.32Å; D74-E76 PolarHBondContact O-N 3.43Å; D74-E76 WeakPolarHBondContact OD1-CA 3.32Å; D74-E76 WeakPolarHBondContact OD1-CB 3.33Å; D74-E76 PolarHBondContact OD1-N 3.05Å; D74-E77 PolarHBondContact N-OE2 3Å; D74-E77 PolarHBondContact O-N 3.43Å; D74-E77 WeakPolarHBondContact OD1-CG 3.46Å; D74-E77 PolarHBondContact OD1-N 3.38Å; D74-L78 VanDerWaalsContact O-CB 3.28Å; D74-L78 WeakPolarHBondContact O-CB 3.36Å; D74-L78 PolarHBondContact O-N 3.22Å; D74-K113 HydrophobicContact CB-CG 4.42Å
75	A	91.5	Very high	86.4	Confident	15 Å²	15	58.2 Å²	58.2	12%	0.124	31%	0.309	C	S	.	.	H	α-helix	trans	-64.1	-32.9	-177.4	0	0	0	0	0	113.8	Q79 L96 C99 R100 I103	A75-Q79 WeakPolarHBondContact O-CB 3.11Å; A75-Q79 PolarHBondContact O-N 3.24Å; A75-L96 HydrophobicContact CB-CD1 3.75Å; A75-C99 HydrophobicContact CB-CB 4.29Å; A75-R100 HydrophobicContact CB-CG 3.77Å; A75-I103 VanDerWaalsContact CA-CD1 3.43Å; A75-I103 HydrophobicContact CB-CD1 3.87Å; A75-I103 VanDerWaalsContact N-CD1 3.29Å
76	E	90.9	Very high	86	Confident	113 Å²	113	54.5 Å²	54.5	53%	0.528	29%	0.293	S	S	.	.	H	α-helix	trans	-77.7	-39.3	179.9	-62.4	-173.8	-177.6	0	0	111.1	D74 Q79 R80 L96	D74-E76 VanDerWaalsContact C-N 3.32Å; D74-E76 PolarHBondContact O-N 3.43Å; D74-E76 WeakPolarHBondContact OD1-CA 3.32Å; D74-E76 WeakPolarHBondContact OD1-CB 3.33Å; D74-E76 PolarHBondContact OD1-N 3.05Å; E76-Q79 PolarHBondContact O-N 3.16Å; E76-R80 WeakPolarHBondContact O-CG 3.37Å; E76-R80 PolarHBondContact O-N 3.46Å; E76-R80 VanDerWaalsContact O-N 3.09Å; E76-R80 PolarHBondContact O-NE 3Å; E76-L96 HydrophobicContact CG-CD1 3.94Å
77	E	91.8	Very high	85.6	Confident	27 Å²	27	54 Å²	54	13%	0.126	29%	0.29	C	S	.	.	H	α-helix	trans	-62.1	-45.3	170.9	-69.8	172.2	156.1	0	0	110.8	I66 G68 I73 D74 Q79 R80 C81	I66-E77 HydrophobicContact CG2-CB 3.94Å; I66-E77 WeakPolarHBondContact CG2-O 3.42Å; G68-E77 WeakPolarHBondContact CA-OE1 3.27Å; G68-E77 PolarHBondContact N-OE1 2.68Å; I73-E77 WeakPolarHBondContact CA-OE2 3.17Å; I73-E77 HydrophobicContact CG2-CB 3.86Å; D74-E77 PolarHBondContact N-OE2 3Å; D74-E77 PolarHBondContact O-N 3.43Å; D74-E77 WeakPolarHBondContact OD1-CG 3.46Å; D74-E77 PolarHBondContact OD1-N 3.38Å; E77-Q79 PolarHBondContact O-N 3.39Å; E77-R80 VanDerWaalsContact CG-NH2 3.32Å; E77-R80 PolarHBondContact O-N 3.18Å; E77-C81 WeakPolarHBondContact O-CB 3.43Å; E77-C81 PolarHBondContact O-N 3.12Å
78	L	90.5	Very high	84.7	Confident	0 Å²	0	53.4 Å²	53.4	0%	0	29%	0.285	C	S	.	.	H	α-helix	trans	-61.1	-45.4	174.9	-179	61.6	0	0	0	111.5	I73 D74 R80 C81 L82 C99 M102 I103 L114 F119 L122	I73-L78 HydrophobicContact CG2-CB 3.85Å; D74-L78 VanDerWaalsContact O-CB 3.28Å; D74-L78 WeakPolarHBondContact O-CB 3.36Å; D74-L78 PolarHBondContact O-N 3.22Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 3.47Å; L78-C81 VanDerWaalsContact O-CB 3.31Å; L78-C81 WeakPolarHBondContact O-CB 3.27Å; L78-C81 PolarHBondContact O-N 3.36Å; L78-L82 HydrophobicContact CD1-CD1 4.01Å; L78-L82 HydrophobicContact CD1-CD2 4.21Å; L78-L82 HydrophobicContact CD1-CG 3.93Å; L78-L82 HydrophobicContact CD2-CD1 4.48Å; L78-L82 HydrophobicContact CG-CD1 3.88Å; L78-L82 HydrophobicContact CG-CG 4.22Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 3.13Å; L78-C99 HydrophobicContact CD2-CB 4.12Å; L78-C99 HydrophobicContact CG-CB 4.45Å; L78-M102 HydrophobicContact CD2-CB 4.09Å; L78-M102 HydrophobicContact CD2-SD 4.34Å; L78-I103 HydrophobicContact CD2-CD1 4.16Å; L78-I103 HydrophobicContact CD2-CG1 3.77Å; L78-L114 HydrophobicContact CD2-CD1 4.24Å; L78-F119 HydrophobicContact CD1-CE2 4.44Å; L78-L122 HydrophobicContact CD1-CD2 3.79Å; L78-L122 HydrophobicContact CD2-CD2 3.76Å; L78-L122 HydrophobicContact CG-CD2 4.44Å
79	Q	89.7	Confident	84.3	Confident	61 Å²	61	54.4 Å²	54.4	29%	0.285	30%	0.296	S	S	.	.	H	α-helix	trans	-59.6	-44.5	178.7	-170.8	-173.8	47.5	0	0	111.7	A75 E76 E77 L82 T83 F94	A75-Q79 WeakPolarHBondContact O-CB 3.11Å; A75-Q79 PolarHBondContact O-N 3.24Å; E76-Q79 PolarHBondContact O-N 3.16Å; E77-Q79 PolarHBondContact O-N 3.39Å; Q79-L82 PolarHBondContact O-N 3.22Å; Q79-T83 WeakPolarHBondContact O-CB 3.38Å; Q79-T83 PolarHBondContact O-N 3.4Å; Q79-T83 VanDerWaalsContact O-N 3.08Å; Q79-T83 PolarHBondContact O-OG1 3Å; Q79-F94 PolarHBondContact NE2-O 2.95Å
80	R	85.8	Confident	83.8	Confident	136 Å²	136	50.7 Å²	50.7	51%	0.513	29%	0.288	S	S	.	.	H	α-helix	trans	-62.1	-44.8	176.4	-74.7	-179.6	-75.5	172.7	-2.4	111.1	E76 E77 L78 T83 Q84	E76-R80 WeakPolarHBondContact O-CG 3.37Å; E76-R80 PolarHBondContact O-N 3.46Å; E76-R80 VanDerWaalsContact O-N 3.09Å; E76-R80 PolarHBondContact O-NE 3Å; E77-R80 VanDerWaalsContact CG-NH2 3.32Å; E77-R80 PolarHBondContact O-N 3.18Å; L78-R80 VanDerWaalsContact C-N 3.32Å; L78-R80 PolarHBondContact O-N 3.47Å; R80-T83 PolarHBondContact O-N 2.75Å; R80-Q84 WeakPolarHBondContact O-CB 3.23Å; R80-Q84 VanDerWaalsContact O-CG 3.29Å; R80-Q84 WeakPolarHBondContact O-CG 3.44Å; R80-Q84 PolarHBondContact O-N 3.45Å
81	C	84.9	Confident	83.3	Confident	0 Å²	0	48 Å²	48	0%	0	27%	0.271	C	S	.	.	H	α-helix	trans	-55.2	-54.8	174.2	167.6	0	0	0	0	112.5	I66 E77 L78 T83 Q84 T85	I66-C81 HydrophobicContact CB-CB 4.37Å; I66-C81 HydrophobicContact CD1-CB 3.25Å; I66-C81 WeakPolarHBondContact CD1-SG 3.47Å; I66-C81 HydrophobicContact CG1-CB 3.78Å; I66-C81 HydrophobicContact CG2-CB 3.75Å; E77-C81 WeakPolarHBondContact O-CB 3.43Å; E77-C81 PolarHBondContact O-N 3.12Å; L78-C81 VanDerWaalsContact O-CB 3.31Å; L78-C81 WeakPolarHBondContact O-CB 3.27Å; L78-C81 PolarHBondContact O-N 3.36Å; C81-T83 PolarHBondContact O-N 2.89Å; C81-Q84 PolarHBondContact O-N 2.91Å; C81-Q84 VanDerWaalsContact O-N 3.13Å; C81-T85 WeakPolarHBondContact O-CB 3.18Å; C81-T85 VanDerWaalsContact O-CG2 3.26Å; C81-T85 WeakPolarHBondContact O-CG2 3.32Å; C81-T85 PolarHBondContact O-N 3.43Å; C81-T85 PolarHBondContact O-OG1 3Å
82	L	84.4	Confident	82.9	Confident	1 Å²	1	49.5 Å²	49.5	1%	0.005	27%	0.273	C	S	.	.	H	α-helix	trans	-62.7	-33.3	-175.8	-63.5	174.5	0	0	0	111.4	L78 Q79 T85 G86 I87 F94 M102 L126	L78-L82 HydrophobicContact CD1-CD1 4.01Å; L78-L82 HydrophobicContact CD1-CD2 4.21Å; L78-L82 HydrophobicContact CD1-CG 3.93Å; L78-L82 HydrophobicContact CD2-CD1 4.48Å; L78-L82 HydrophobicContact CG-CD1 3.88Å; L78-L82 HydrophobicContact CG-CG 4.22Å; L78-L82 VanDerWaalsContact O-CG 3.25Å; L78-L82 WeakPolarHBondContact O-CG 3.32Å; L78-L82 PolarHBondContact O-N 3.13Å; Q79-L82 PolarHBondContact O-N 3.22Å; L82-T85 WeakPolarHBondContact CA-OG1 3.4Å; L82-T85 PolarHBondContact O-OG1 3.49Å; L82-T85 VanDerWaalsContact O-OG1 3.12Å; L82-G86 PolarHBondContact O-N 2.68Å; L82-I87 HydrophobicContact CB-CG2 3.98Å; L82-I87 HydrophobicContact CD2-CG2 3.8Å; L82-I87 HydrophobicContact CG-CG2 4.47Å; L82-I87 PolarHBondContact O-N 3.28Å; L82-F94 HydrophobicContact CB-CD2 3.71Å; L82-F94 HydrophobicContact CB-CE2 4.04Å; L82-F94 HydrophobicContact CD1-CD2 3.57Å; L82-F94 HydrophobicContact CD1-CE2 3.96Å; L82-F94 HydrophobicContact CD1-CG 4.19Å; L82-F94 HydrophobicContact CG-CD2 4.22Å; L82-F94 HydrophobicContact CG-CE2 4.43Å; L82-M102 HydrophobicContact CD1-CE 4.1Å; L82-M102 HydrophobicContact CD1-SD 3.74Å; L82-L126 HydrophobicContact CD1-CD1 4.41Å; L82-L126 HydrophobicContact CD2-CD1 3.5Å
83	T	83.1	Confident	82.5	Confident	67 Å²	67	50.7 Å²	50.7	41%	0.411	29%	0.285	S	S	.	.	H	α-helix	trans	-68.6	-47.5	174.1	-54.6	0	0	0	0	111.4	Q79 R80 C81 G86	Q79-T83 WeakPolarHBondContact O-CB 3.38Å; Q79-T83 PolarHBondContact O-N 3.4Å; Q79-T83 VanDerWaalsContact O-N 3.08Å; Q79-T83 PolarHBondContact O-OG1 3Å; R80-T83 PolarHBondContact O-N 2.75Å; C81-T83 PolarHBondContact O-N 2.89Å; T83-G86 PolarHBondContact O-N 3.17Å
84	Q	79.5	Confident	82.3	Confident	143 Å²	143	50.8 Å²	50.8	67%	0.668	29%	0.286	S	S	*	.	H	α-helix	trans	-68.1	-37.7	-179	-73.3	176.6	4	0	0	113.2	R80 C81 G86	R80-Q84 WeakPolarHBondContact O-CB 3.23Å; R80-Q84 VanDerWaalsContact O-CG 3.29Å; R80-Q84 WeakPolarHBondContact O-CG 3.44Å; R80-Q84 PolarHBondContact O-N 3.45Å; C81-Q84 PolarHBondContact O-N 2.91Å; C81-Q84 VanDerWaalsContact O-N 3.13Å; Q84-G86 PolarHBondContact O-N 3.41Å
85	T	75.8	Confident	82.1	Confident	44 Å²	44	50.4 Å²	50.4	27%	0.27	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-11.5	177.1	55.1	0	0	0	0	112.6	C81 L82 I87 F123	C81-T85 WeakPolarHBondContact O-CB 3.18Å; C81-T85 VanDerWaalsContact O-CG2 3.26Å; C81-T85 WeakPolarHBondContact O-CG2 3.32Å; C81-T85 PolarHBondContact O-N 3.43Å; C81-T85 PolarHBondContact O-OG1 3Å; L82-T85 WeakPolarHBondContact CA-OG1 3.4Å; L82-T85 PolarHBondContact O-OG1 3.49Å; L82-T85 VanDerWaalsContact O-OG1 3.12Å; T85-I87 PolarHBondContact O-N 3.29Å; T85-F123 HydrophobicContact CG2-CE2 4.08Å; T85-F123 HydrophobicContact CG2-CZ 4.44Å
86	G	75.6	Confident	82	Confident	32 Å²	32	51.9 Å²	51.9	33%	0.33	29%	0.293	S	S	.	.	T	Hydrogen-bonded Turn	trans	63.9	24.2	-179.2	0	0	0	0	0	112.5	L82 T83 Q84 S88 G89	L82-G86 PolarHBondContact O-N 2.68Å; T83-G86 PolarHBondContact O-N 3.17Å; Q84-G86 PolarHBondContact O-N 3.41Å; G86-S88 PolarHBondContact O-N 3.31Å; G86-G89 VanDerWaalsContact O-CA 3.3Å; G86-G89 WeakPolarHBondContact O-CA 3.36Å; G86-G89 PolarHBondContact O-N 3.05Å
87	I	74.2	Confident	81.9	Confident	10 Å²	10	51.8 Å²	51.8	5%	0.051	29%	0.292	C	S	.	.	S	Bend	trans	-67.6	-29.7	179.8	-157.2	170.3	0	0	0	110.7	L82 T85 G89 F94 F123 L126 K130	L82-I87 HydrophobicContact CB-CG2 3.98Å; L82-I87 HydrophobicContact CD2-CG2 3.8Å; L82-I87 HydrophobicContact CG-CG2 4.47Å; L82-I87 PolarHBondContact O-N 3.28Å; T85-I87 PolarHBondContact O-N 3.29Å; I87-G89 PolarHBondContact O-N 3.05Å; I87-F94 HydrophobicContact CG2-CE2 3.69Å; I87-F94 HydrophobicContact CG2-CZ 4.47Å; I87-F123 HydrophobicContact CD1-CD2 4.43Å; I87-F123 HydrophobicContact CD1-CE2 4.07Å; I87-F123 HydrophobicContact CD1-CZ 4.17Å; I87-L126 HydrophobicContact CD1-CB 3.6Å; I87-L126 HydrophobicContact CD1-CD1 4.31Å; I87-K130 HydrophobicContact CG1-CD 4.34Å; I87-K130 VanDerWaalsContact O-CD 3.23Å; I87-K130 WeakPolarHBondContact O-CD 3.46Å; I87-K130 WeakPolarHBondContact O-CE 3.32Å; I87-K130 PolarHBondContact O-NZ 3.49Å
88	S	68.9	Low	81.7	Confident	7 Å²	7	50.7 Å²	50.7	5%	0.049	29%	0.287	C	S	.	.	S	Bend	trans	-67.4	-24	165.7	58.9	0	0	0	0	112.6	G86 T90 Y91	G86-S88 PolarHBondContact O-N 3.31Å; S88-T90 PolarHBondContact O-N 3.35Å; S88-Y91 WeakPolarHBondContact O-CA 3.28Å; S88-Y91 WeakPolarHBondContact O-CB 3.34Å; S88-Y91 WeakPolarHBondContact O-CD2 3.34Å; S88-Y91 PolarHBondContact O-N 2.88Å
89	G	74.5	Confident	81.8	Confident	47 Å²	47	50.7 Å²	50.7	49%	0.485	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.8	-122.4	-179.6	0	0	0	0	0	111.4	G86 I87 Y91	G86-G89 VanDerWaalsContact O-CA 3.3Å; G86-G89 WeakPolarHBondContact O-CA 3.36Å; G86-G89 PolarHBondContact O-N 3.05Å; I87-G89 PolarHBondContact O-N 3.05Å; G89-Y91 VanDerWaalsContact C-N 3.31Å
90	T	71.1	Confident	81.8	Confident	136 Å²	136	54.1 Å²	54.1	83%	0.834	30%	0.298	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.1	-5.5	174	53.6	0	0	0	0	113.3	S88	S88-T90 PolarHBondContact O-N 3.35Å
91	Y	78	Confident	81.9	Confident	26 Å²	26	48.6 Å²	48.6	10%	0.102	28%	0.278	C	S	.	.	S	Bend	trans	-79.1	161.5	179.4	-50.7	-53.4	0	0	0	111.4	S88 G89 F133 D137 F180	S88-Y91 WeakPolarHBondContact O-CA 3.28Å; S88-Y91 WeakPolarHBondContact O-CB 3.34Å; S88-Y91 WeakPolarHBondContact O-CD2 3.34Å; S88-Y91 PolarHBondContact O-N 2.88Å; G89-Y91 VanDerWaalsContact C-N 3.31Å; Y91-F133 HydrophobicContact CE1-CE1 4.03Å; Y91-F133 HydrophobicContact CE2-CD1 4.09Å; Y91-F133 HydrophobicContact CE2-CE1 4.14Å; Y91-F133 AromaticContact CZ-CD1 3.99Å; Y91-F133 AromaticContact CZ-CE1 3.75Å; Y91-D137 VanDerWaalsContact CE1-OD2 3.25Å; Y91-D137 WeakPolarHBondContact CE1-OD2 3.47Å; Y91-D137 PolarHBondContact OH-OD2 2.89Å; Y91-F180 HydrophobicContact CD2-CB 4.25Å; Y91-F180 AromaticContact CD2-CD1 3.94Å; Y91-F180 HydrophobicContact CD2-CD1 3.94Å; Y91-F180 HydrophobicContact CD2-CD2 4.27Å; Y91-F180 HydrophobicContact CD2-CE1 4.37Å; Y91-F180 AromaticContact CD2-CG 3.89Å; Y91-F180 HydrophobicContact CD2-CG 3.89Å; Y91-F180 HydrophobicContact CG-CB 4.04Å; Y91-F180 HydrophobicContact CG-CD1 4.26Å; Y91-F180 HydrophobicContact CG-CG 4.15Å
92	T	77.7	Confident	82.2	Confident	71 Å²	71	48.6 Å²	48.6	44%	0.436	28%	0.278	S	S	.	.	P	Polyproline II helix	trans	-55.2	139.3	176.4	52.4	0	0	0	0	110.7
93	P	82.1	Confident	82.4	Confident	77 Å²	77	48.8 Å²	48.8	50%	0.5	28%	0.279	S	S	.	.	P	Polyproline II helix	trans	-55.2	152.3	172.8	-23.7	33.5	0	0	0	111.6
94	F	86.6	Confident	82.6	Confident	3 Å²	3	47 Å²	47	1%	0.013	27%	0.271	C	S	.	.	P	Polyproline II helix	trans	-63.8	140.7	176.3	-66.8	-74.2	0	0	0	111.2	Q79 L82 I87 T98 M102 L126 F180 D181 V184	Q79-F94 PolarHBondContact NE2-O 2.95Å; L82-F94 HydrophobicContact CB-CD2 3.71Å; L82-F94 HydrophobicContact CB-CE2 4.04Å; L82-F94 HydrophobicContact CD1-CD2 3.57Å; L82-F94 HydrophobicContact CD1-CE2 3.96Å; L82-F94 HydrophobicContact CD1-CG 4.19Å; L82-F94 HydrophobicContact CG-CD2 4.22Å; L82-F94 HydrophobicContact CG-CE2 4.43Å; I87-F94 HydrophobicContact CG2-CE2 3.69Å; I87-F94 HydrophobicContact CG2-CZ 4.47Å; F94-T98 HydrophobicContact CD1-CG2 3.96Å; F94-M102 HydrophobicContact CD1-CE 3.52Å; F94-M102 HydrophobicContact CD2-CE 4.34Å; F94-M102 HydrophobicContact CE1-CE 3.54Å; F94-M102 HydrophobicContact CE2-CE 4.33Å; F94-M102 HydrophobicContact CG-CE 3.93Å; F94-M102 HydrophobicContact CZ-CE 3.94Å; F94-L126 HydrophobicContact CZ-CD2 4.36Å; F94-F180 HydrophobicContact CE1-CD1 4.22Å; F94-F180 AromaticContact CE1-CE1 3.84Å; F94-F180 HydrophobicContact CE1-CE1 3.84Å; F94-F180 HydrophobicContact CE2-CE1 4.31Å; F94-F180 HydrophobicContact CZ-CD1 4.21Å; F94-F180 AromaticContact CZ-CE1 3.45Å; F94-F180 HydrophobicContact CZ-CE1 3.45Å; F94-F180 VanDerWaalsContact CZ-CE1 3.45Å; F94-F180 HydrophobicContact CZ-CZ 4.09Å; F94-D181 WeakPolarHBondContact CA-OD1 3.5Å; F94-D181 WeakPolarHBondContact CD1-OD1 3.24Å; F94-V184 HydrophobicContact CE1-CB 3.85Å; F94-V184 HydrophobicContact CE1-CG1 3.9Å; F94-V184 HydrophobicContact CE1-CG2 3.88Å; F94-V184 HydrophobicContact CZ-CG2 4.36Å
95	S	88.4	Confident	82.8	Confident	43 Å²	43	41 Å²	41	30%	0.301	24%	0.243	S	C	.	.	P	Polyproline II helix	trans	-72.2	154.4	170.2	66.7	0	0	0	0	110.8	E97 T98 C99 D181	S95-E97 PolarHBondContact O-N 3.41Å; S95-T98 PolarHBondContact O-N 2.91Å; S95-T98 VanDerWaalsContact O-N 3.11Å; S95-T98 PolarHBondContact OG-N 3.06Å; S95-T98 PolarHBondContact OG-OG1 3.08Å; S95-C99 PolarHBondContact O-N 3.47Å; S95-C99 VanDerWaalsContact O-N 3.07Å; S95-D181 VanDerWaalsContact CB-OD2 3.28Å; S95-D181 WeakPolarHBondContact CB-OD2 3.31Å; S95-D181 PolarHBondContact N-OD1 2.73Å; S95-D181 VanDerWaalsContact N-OD1 3.07Å; S95-D181 PolarHBondContact N-OD2 3.29Å; S95-D181 PolarHBondContact OG-OD2 2.89Å
96	L	89.2	Confident	83.2	Confident	46 Å²	46	39 Å²	39	24%	0.241	23%	0.231	C	C	.	.	H	α-helix	trans	-60	-32.7	177.5	-173.5	64.6	0	0	0	111.6	A75 E76 C99 R100	A75-L96 HydrophobicContact CB-CD1 3.75Å; E76-L96 HydrophobicContact CG-CD1 3.94Å; L96-C99 WeakPolarHBondContact O-CB 3.23Å; L96-C99 PolarHBondContact O-N 3.21Å; L96-R100 WeakPolarHBondContact O-CG 3.45Å; L96-R100 PolarHBondContact O-N 3.35Å
97	E	87.9	Confident	83.5	Confident	110 Å²	110	38.7 Å²	38.7	51%	0.514	22%	0.221	S	C	.	.	H	α-helix	trans	-63.6	-46.2	175.3	-170.4	66.7	-176.3	0	0	111.4	S95 C99 R100 I101	S95-E97 PolarHBondContact O-N 3.41Å; E97-C99 VanDerWaalsContact C-N 3.28Å; E97-C99 PolarHBondContact O-N 2.92Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 VanDerWaalsContact O-N 3.13Å; E97-R100 IonicContact OE2-NH1 2.83Å; E97-R100 PolarHBondContact OE2-NH1 3.37Å; E97-I101 HydrophobicContact CG-CD1 4.23Å; E97-I101 WeakPolarHBondContact O-CG1 3.11Å; E97-I101 PolarHBondContact O-N 3.15Å
98	T	88.9	Confident	83.7	Confident	4 Å²	4	45.4 Å²	45.4	3%	0.025	25%	0.246	C	C	.	.	H	α-helix	trans	-60	-40.7	174.4	-54.5	0	0	0	0	111.3	F94 S95 R100 I101 M102 D181 V184 A185	F94-T98 HydrophobicContact CD1-CG2 3.96Å; S95-T98 PolarHBondContact O-N 2.91Å; S95-T98 VanDerWaalsContact O-N 3.11Å; S95-T98 PolarHBondContact OG-N 3.06Å; S95-T98 PolarHBondContact OG-OG1 3.08Å; T98-R100 VanDerWaalsContact C-N 3.34Å; T98-R100 PolarHBondContact O-N 3.34Å; T98-I101 PolarHBondContact O-N 2.97Å; T98-M102 HydrophobicContact CG2-CE 3.51Å; T98-M102 VanDerWaalsContact O-CG 3.28Å; T98-M102 WeakPolarHBondContact O-CG 3.38Å; T98-M102 PolarHBondContact O-N 3.05Å; T98-D181 WeakPolarHBondContact CB-OD1 3.35Å; T98-D181 WeakPolarHBondContact CG2-OD1 3.46Å; T98-D181 VanDerWaalsContact OG1-CG 3.24Å; T98-D181 PolarHBondContact OG1-OD1 3.03Å; T98-D181 PolarHBondContact OG1-OD2 3.21Å; T98-V184 HydrophobicContact CG2-CG1 4.47Å; T98-A185 HydrophobicContact CG2-CB 3.96Å
99	C	90.8	Very high	84.2	Confident	0 Å²	0	49.5 Å²	49.5	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-60.7	-40.7	175.2	-66.3	0	0	0	0	112.3	A75 L78 S95 L96 E97 M102 I103	A75-C99 HydrophobicContact CB-CB 4.29Å; L78-C99 HydrophobicContact CD2-CB 4.12Å; L78-C99 HydrophobicContact CG-CB 4.45Å; S95-C99 PolarHBondContact O-N 3.47Å; S95-C99 VanDerWaalsContact O-N 3.07Å; L96-C99 WeakPolarHBondContact O-CB 3.23Å; L96-C99 PolarHBondContact O-N 3.21Å; E97-C99 VanDerWaalsContact C-N 3.28Å; E97-C99 PolarHBondContact O-N 2.92Å; C99-M102 WeakPolarHBondContact O-CB 3.34Å; C99-M102 PolarHBondContact O-N 3.18Å; C99-I103 WeakPolarHBondContact O-CG1 3.46Å; C99-I103 PolarHBondContact O-N 2.81Å
100	R	89.9	Confident	84.4	Confident	134 Å²	134	54.1 Å²	54.1	51%	0.506	28%	0.278	S	S	.	.	H	α-helix	trans	-62.5	-45.2	174.5	-71	172.8	-178.9	155.8	-1.8	112.3	A75 L96 E97 T98 M102 I103 A104	A75-R100 HydrophobicContact CB-CG 3.77Å; L96-R100 WeakPolarHBondContact O-CG 3.45Å; L96-R100 PolarHBondContact O-N 3.35Å; E97-R100 WeakPolarHBondContact O-CB 3.36Å; E97-R100 PolarHBondContact O-N 2.89Å; E97-R100 VanDerWaalsContact O-N 3.13Å; E97-R100 IonicContact OE2-NH1 2.83Å; E97-R100 PolarHBondContact OE2-NH1 3.37Å; T98-R100 VanDerWaalsContact C-N 3.34Å; T98-R100 PolarHBondContact O-N 3.34Å; R100-M102 VanDerWaalsContact C-N 3.29Å; R100-M102 PolarHBondContact O-N 3.44Å; R100-I103 PolarHBondContact O-N 2.94Å; R100-A104 WeakPolarHBondContact O-CB 3.22Å; R100-A104 PolarHBondContact O-N 2.91Å
101	I	89.1	Confident	85	Confident	19 Å²	19	50.7 Å²	50.7	10%	0.097	26%	0.257	C	S	.	.	H	α-helix	trans	-64.3	-36.7	178.6	-59.2	166.3	0	0	0	110.5	E97 T98 M105 V188 K189 I222	E97-I101 HydrophobicContact CG-CD1 4.23Å; E97-I101 WeakPolarHBondContact O-CG1 3.11Å; E97-I101 PolarHBondContact O-N 3.15Å; T98-I101 PolarHBondContact O-N 2.97Å; I101-M105 PolarHBondContact O-N 2.85Å; I101-M105 VanDerWaalsContact O-N 3.08Å; I101-V188 HydrophobicContact CG2-CB 4.35Å; I101-V188 HydrophobicContact CG2-CG1 3.74Å; I101-V188 WeakPolarHBondContact O-CG1 3.21Å; I101-K189 HydrophobicContact CG2-CB 4.34Å; I101-I222 HydrophobicContact CG2-CG2 4.11Å
102	M	90.1	Very high	85.3	Confident	0 Å²	0	51.6 Å²	51.6	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-62.3	-43.5	174	-74.2	-178	-162.1	0	0	112.4	L78 L82 F94 T98 C99 R100 L122 L126 V184 V188	L78-M102 HydrophobicContact CD2-CB 4.09Å; L78-M102 HydrophobicContact CD2-SD 4.34Å; L82-M102 HydrophobicContact CD1-CE 4.1Å; L82-M102 HydrophobicContact CD1-SD 3.74Å; F94-M102 HydrophobicContact CD1-CE 3.52Å; F94-M102 HydrophobicContact CD2-CE 4.34Å; F94-M102 HydrophobicContact CE1-CE 3.54Å; F94-M102 HydrophobicContact CE2-CE 4.33Å; F94-M102 HydrophobicContact CG-CE 3.93Å; F94-M102 HydrophobicContact CZ-CE 3.94Å; T98-M102 HydrophobicContact CG2-CE 3.51Å; T98-M102 VanDerWaalsContact O-CG 3.28Å; T98-M102 WeakPolarHBondContact O-CG 3.38Å; T98-M102 PolarHBondContact O-N 3.05Å; C99-M102 WeakPolarHBondContact O-CB 3.34Å; C99-M102 PolarHBondContact O-N 3.18Å; R100-M102 VanDerWaalsContact C-N 3.29Å; R100-M102 PolarHBondContact O-N 3.44Å; M102-L122 HydrophobicContact CB-CD1 3.84Å; M102-L122 HydrophobicContact CB-CD2 4.08Å; M102-L122 HydrophobicContact CG-CD1 4.04Å; M102-L122 HydrophobicContact SD-CD1 4.21Å; M102-L122 HydrophobicContact SD-CD2 4.42Å; M102-L126 HydrophobicContact CE-CD2 3.52Å; M102-L126 HydrophobicContact SD-CD1 4.01Å; M102-L126 HydrophobicContact SD-CD2 3.81Å; M102-L126 HydrophobicContact SD-CG 4.42Å; M102-V184 HydrophobicContact CE-CG1 3.52Å; M102-V188 HydrophobicContact CG-CG2 3.97Å
103	I	89.5	Confident	85.9	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.026	27%	0.267	C	S	.	.	H	α-helix	trans	-64	-54	176.7	-67.5	171.8	0	0	0	109.3	A75 L78 C99 R100 M105 L106 D107 L114	A75-I103 VanDerWaalsContact CA-CD1 3.43Å; A75-I103 HydrophobicContact CB-CD1 3.87Å; A75-I103 VanDerWaalsContact N-CD1 3.29Å; L78-I103 HydrophobicContact CD2-CD1 4.16Å; L78-I103 HydrophobicContact CD2-CG1 3.77Å; C99-I103 WeakPolarHBondContact O-CG1 3.46Å; C99-I103 PolarHBondContact O-N 2.81Å; R100-I103 PolarHBondContact O-N 2.94Å; I103-M105 PolarHBondContact O-N 2.96Å; I103-L106 PolarHBondContact O-N 2.71Å; I103-D107 HydrophobicContact CG2-CB 4.2Å; I103-D107 WeakPolarHBondContact O-CB 3.47Å; I103-D107 PolarHBondContact O-N 2.8Å; I103-L114 HydrophobicContact CB-CD1 4.47Å; I103-L114 HydrophobicContact CB-CG 4.28Å; I103-L114 HydrophobicContact CG1-CD1 3.7Å; I103-L114 HydrophobicContact CG1-CG 3.85Å; I103-L114 HydrophobicContact CG2-CD2 4.39Å; I103-L114 HydrophobicContact CG2-CG 4.12Å
104	A	86.3	Confident	86.3	Confident	29 Å²	29	47.5 Å²	47.5	24%	0.24	24%	0.243	C	C	.	.	H	α-helix	trans	-53.8	-31.2	179.6	0	0	0	0	0	114.5	R100 L106 A221	R100-A104 WeakPolarHBondContact O-CB 3.22Å; R100-A104 PolarHBondContact O-N 2.91Å; A104-L106 VanDerWaalsContact C-N 3.33Å; A104-A221 WeakPolarHBondContact CB-O 3.27Å
105	M	84.6	Confident	86.4	Confident	17 Å²	17	48.2 Å²	48.2	8%	0.084	25%	0.251	C	S	.	.	H	α-helix	trans	-65.8	-34.7	176.2	175.3	-173.5	78.1	0	0	112.9	I101 I103 L122 W129 V188 R191 A192	I101-M105 PolarHBondContact O-N 2.85Å; I101-M105 VanDerWaalsContact O-N 3.08Å; I103-M105 PolarHBondContact O-N 2.96Å; M105-L122 HydrophobicContact CE-CD1 4.18Å; M105-W129 HydrophobicContact CE-CH2 3.7Å; M105-W129 HydrophobicContact CE-CZ3 4.39Å; M105-W129 HydrophobicContact SD-CH2 3.69Å; M105-W129 HydrophobicContact SD-CZ2 4.31Å; M105-V188 HydrophobicContact CB-CG1 3.67Å; M105-V188 HydrophobicContact CE-CG1 4.47Å; M105-V188 HydrophobicContact CG-CG1 4.19Å; M105-V188 HydrophobicContact SD-CB 4.25Å; M105-V188 HydrophobicContact SD-CG1 3.68Å; M105-R191 HydrophobicContact SD-CB 4.14Å; M105-R191 HydrophobicContact SD-CG 4.13Å; M105-A192 HydrophobicContact CB-CB 4.05Å; M105-A192 HydrophobicContact CG-CB 3.85Å
106	L	83.6	Confident	86.4	Confident	3 Å²	3	47.2 Å²	47.2	2%	0.016	24%	0.241	C	C	.	.	H	α-helix	trans	-114.4	-12.9	-170	-71.6	168.1	0	0	0	114.1	I103 A104 R108 L114 E118 E121 L122	I103-L106 PolarHBondContact O-N 2.71Å; A104-L106 VanDerWaalsContact C-N 3.33Å; L106-R108 WeakPolarHBondContact O-CG 3.48Å; L106-R108 PolarHBondContact O-N 3.33Å; L106-L114 HydrophobicContact CB-CD2 3.93Å; L106-E118 HydrophobicContact CB-CB 4.24Å; L106-E118 VanDerWaalsContact O-CD 3.31Å; L106-E118 WeakPolarHBondContact O-CG 3.41Å; L106-E118 VanDerWaalsContact O-OE1 3.05Å; L106-E121 HydrophobicContact CD1-CB 4.31Å; L106-E121 HydrophobicContact CD2-CB 4.12Å; L106-L122 HydrophobicContact CD1-CB 3.38Å; L106-L122 HydrophobicContact CD1-CD1 3.88Å; L106-L122 HydrophobicContact CD1-CG 4.15Å; L106-L122 VanDerWaalsContact CD1-N 3.35Å
107	D	82.3	Confident	86.4	Confident	25 Å²	25	50.4 Å²	50.4	13%	0.134	26%	0.259	C	S	.	.			trans	-65.3	91.4	172	176.9	10.8	0	0	0	109.7	I103 M110 T111 G112	I103-D107 HydrophobicContact CG2-CB 4.2Å; I103-D107 WeakPolarHBondContact O-CB 3.47Å; I103-D107 PolarHBondContact O-N 2.8Å; D107-M110 WeakPolarHBondContact OD1-CA 3.36Å; D107-M110 PolarHBondContact OD1-N 3.18Å; D107-M110 WeakPolarHBondContact OD2-CA 3.45Å; D107-T111 PolarHBondContact OD1-N 3.4Å; D107-T111 PolarHBondContact OD1-OG1 3.25Å; D107-T111 PolarHBondContact OD2-N 2.81Å; D107-G112 VanDerWaalsContact OD2-CA 3.23Å; D107-G112 WeakPolarHBondContact OD2-CA 3.47Å; D107-G112 PolarHBondContact OD2-N 3.01Å
108	R	77.7	Confident	86.4	Confident	152 Å²	152	46.1 Å²	46.1	57%	0.574	24%	0.239	S	C	*	.	S	Bend	trans	-83	-23	-176.3	-70.1	174.4	-172	172.5	8.5	112.2	L106 E118 E121	L106-R108 WeakPolarHBondContact O-CG 3.48Å; L106-R108 PolarHBondContact O-N 3.33Å; R108-E118 PolarHBondContact N-OE1 2.71Å; R108-E118 VanDerWaalsContact N-OE1 3.15Å; R108-E121 IonicContact CZ-OE1 2.68Å; R108-E121 IonicContact CZ-OE2 3.63Å; R108-E121 IonicContact NH1-OE1 3.41Å; R108-E121 IonicContact NH2-OE1 2.77Å; R108-E121 PolarHBondContact NH2-OE1 3.13Å; R108-E121 IonicContact NH2-OE2 3.79Å; R108-E121 PolarHBondContact NH2-OE2 2.83Å
109	D	79.1	Confident	86.4	Confident	93 Å²	93	46.1 Å²	46.1	50%	0.497	24%	0.238	S	C	.	.	S	Bend	trans	-98.7	0.2	-178.6	57.7	11.5	0	0	0	113.4	T111	D109-T111 HydrophobicContact CB-CG2 4.21Å; D109-T111 PolarHBondContact O-N 2.72Å; D109-T111 WeakPolarHBondContact OD1-CB 3.49Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.38Å; D109-T111 PolarHBondContact OD1-N 2.77Å; D109-T111 PolarHBondContact OD1-OG1 3.39Å
110	M	79.6	Confident	86.2	Confident	144 Å²	144	49.1 Å²	49.1	71%	0.709	25%	0.252	S	S	*	.			trans	58.7	35.2	178.3	-58.8	180	-67.6	0	0	112.2	D107 G112	D107-M110 WeakPolarHBondContact OD1-CA 3.36Å; D107-M110 PolarHBondContact OD1-N 3.18Å; D107-M110 WeakPolarHBondContact OD2-CA 3.45Å; M110-G112 VanDerWaalsContact C-N 3.27Å
111	T	83.1	Confident	86.2	Confident	64 Å²	64	46 Å²	46	39%	0.393	24%	0.243	S	C	.	.			trans	-76.3	-18.3	176.3	53.7	0	0	0	0	112.2	D107 D109 K113	D107-T111 PolarHBondContact OD1-N 3.4Å; D107-T111 PolarHBondContact OD1-OG1 3.25Å; D107-T111 PolarHBondContact OD2-N 2.81Å; D109-T111 HydrophobicContact CB-CG2 4.21Å; D109-T111 PolarHBondContact O-N 2.72Å; D109-T111 WeakPolarHBondContact OD1-CB 3.49Å; D109-T111 WeakPolarHBondContact OD1-CG2 3.38Å; D109-T111 PolarHBondContact OD1-N 2.77Å; D109-T111 PolarHBondContact OD1-OG1 3.39Å; T111-K113 PolarHBondContact OG1-N 2.98Å; T111-K113 PolarHBondContact OG1-O 3.27Å
112	G	84.5	Confident	86.2	Confident	45 Å²	45	45.2 Å²	45.2	46%	0.464	24%	0.239	S	C	.	.	S	Bend	trans	76.1	11.4	-171.5	0	0	0	0	0	113.2	D107 M110	D107-G112 VanDerWaalsContact OD2-CA 3.23Å; D107-G112 WeakPolarHBondContact OD2-CA 3.47Å; D107-G112 PolarHBondContact OD2-N 3.01Å; M110-G112 VanDerWaalsContact C-N 3.27Å
113	K	90.4	Very high	86	Confident	61 Å²	61	47.7 Å²	47.7	27%	0.265	25%	0.249	S	C	.	.	S	Bend	trans	-137	172.7	-177.8	-62.2	-179.1	-177.6	172.6	0	110.2	D70 E72 I73 D74 T111	D70-K113 IonicContact OD2-NZ 3.19Å; D70-K113 PolarHBondContact OD2-NZ 3.36Å; E72-K113 HydrophobicContact CB-CB 3.84Å; E72-K113 HydrophobicContact CB-CD 3.93Å; E72-K113 WeakPolarHBondContact OE2-CD 3.49Å; I73-K113 CarbonylContact O-C 3.59Å; I73-K113 WeakPolarHBondContact O-CA 3.43Å; D74-K113 HydrophobicContact CB-CG 4.42Å; T111-K113 PolarHBondContact OG1-N 2.98Å; T111-K113 PolarHBondContact OG1-O 3.27Å
114	L	90	Very high	85.9	Confident	0 Å²	0	50.4 Å²	50.4	0%	0	27%	0.273	C	S	.	.	B	Isolated β-bridge	trans	-113	124.5	177.7	-67.4	169.4	0	0	0	111.6	E72 I73 L78 I103 L106 E118 L122	E72-L114 WeakPolarHBondContact CA-O 3.47Å; I73-L114 HydrophobicContact CB-CB 4.32Å; I73-L114 PolarHBondContact N-O 2.86Å; I73-L114 PolarHBondContact O-N 3.06Å; L78-L114 HydrophobicContact CD2-CD1 4.24Å; I103-L114 HydrophobicContact CB-CD1 4.47Å; I103-L114 HydrophobicContact CB-CG 4.28Å; I103-L114 HydrophobicContact CG1-CD1 3.7Å; I103-L114 HydrophobicContact CG1-CG 3.85Å; I103-L114 HydrophobicContact CG2-CD2 4.39Å; I103-L114 HydrophobicContact CG2-CG 4.12Å; L106-L114 HydrophobicContact CB-CD2 3.93Å; L114-E118 HydrophobicContact CB-CB 4.48Å; L114-E118 HydrophobicContact CD2-CB 3.61Å; L114-L122 HydrophobicContact CD1-CD2 3.61Å
115	G	90.3	Very high	86	Confident	19 Å²	19	49.7 Å²	49.7	20%	0.196	27%	0.267	C	S	.	.			trans	-74.4	171.4	161.8	0	0	0	0	0	112	N117 E118 F119	G115-N117 PolarHBondContact O-N 3.37Å; G115-E118 PolarHBondContact N-OE2 2.65Å; G115-E118 PolarHBondContact O-N 3.07Å; G115-F119 WeakPolarHBondContact O-CB 3.33Å; G115-F119 PolarHBondContact O-N 3.44Å
116	F	87.7	Confident	86.1	Confident	21 Å²	21	49 Å²	49	9%	0.092	26%	0.263	C	S	.	.	H	α-helix	trans	-59.8	-40.7	-176	177	-121.7	0	0	0	114.5	P54 D57 M59 W60 F63 F119 K120	P54-F116 HydrophobicContact CB-CE1 4.2Å; P54-F116 HydrophobicContact CG-CD1 3.81Å; P54-F116 HydrophobicContact CG-CE1 3.43Å; P54-F116 VanDerWaalsContact CG-CE1 3.43Å; P54-F116 HydrophobicContact CG-CZ 4.27Å; D57-F116 HydrophobicContact CB-CE1 4.44Å; D57-F116 HydrophobicContact CB-CZ 3.92Å; M59-F116 HydrophobicContact CB-CE2 4.18Å; M59-F116 HydrophobicContact CB-CZ 4.49Å; W60-F116 VanDerWaalsContact CA-CE2 3.47Å; W60-F116 HydrophobicContact CB-CE2 4.06Å; W60-F116 HydrophobicContact CB-CZ 3.82Å; W60-F116 HydrophobicContact CD2-CZ 4.47Å; W60-F116 HydrophobicContact CE3-CB 4.12Å; W60-F116 AromaticContact CE3-CD1 3.53Å; W60-F116 HydrophobicContact CE3-CD1 3.53Å; W60-F116 AromaticContact CE3-CD2 3.53Å; W60-F116 HydrophobicContact CE3-CD2 3.53Å; W60-F116 AromaticContact CE3-CE1 3.69Å; W60-F116 HydrophobicContact CE3-CE1 3.69Å; W60-F116 AromaticContact CE3-CE2 3.7Å; W60-F116 HydrophobicContact CE3-CE2 3.7Å; W60-F116 AromaticContact CE3-CG 3.43Å; W60-F116 HydrophobicContact CE3-CG 3.43Å; W60-F116 VanDerWaalsContact CE3-CG 3.43Å; W60-F116 AromaticContact CE3-CZ 3.75Å; W60-F116 HydrophobicContact CE3-CZ 3.75Å; W60-F116 HydrophobicContact CZ3-CB 3.67Å; W60-F116 AromaticContact CZ3-CD1 3.74Å; W60-F116 HydrophobicContact CZ3-CD1 3.74Å; W60-F116 AromaticContact CZ3-CD2 3.98Å; W60-F116 HydrophobicContact CZ3-CD2 3.98Å; W60-F116 HydrophobicContact CZ3-CE1 4.35Å; W60-F116 AromaticContact CZ3-CG 3.51Å; W60-F116 HydrophobicContact CZ3-CG 3.51Å; F63-F116 HydrophobicContact CB-CD2 3.59Å; F63-F116 HydrophobicContact CB-CE2 3.92Å; F63-F116 HydrophobicContact CD1-CB 4.08Å; F63-F116 AromaticContact CD1-CD2 3.92Å; F63-F116 HydrophobicContact CD1-CD2 3.92Å; F63-F116 HydrophobicContact CD1-CG 4.35Å; F63-F116 HydrophobicContact CD2-CB 4.2Å; F63-F116 AromaticContact CD2-CD2 3.88Å; F63-F116 HydrophobicContact CD2-CD2 3.88Å; F63-F116 HydrophobicContact CE1-CB 3.93Å; F63-F116 VanDerWaalsContact CE2-CA 3.49Å; F63-F116 HydrophobicContact CE2-CB 4.07Å; F63-F116 HydrophobicContact CG-CB 4.22Å; F63-F116 AromaticContact CG-CD2 3.51Å; F63-F116 HydrophobicContact CG-CD2 3.51Å; F63-F116 HydrophobicContact CG-CE2 4.34Å; F63-F116 HydrophobicContact CG-CG 4.3Å; F63-F116 HydrophobicContact CZ-CB 3.93Å; F116-F119 PolarHBondContact O-N 3.13Å; F116-K120 HydrophobicContact CD1-CD 4.21Å; F116-K120 HydrophobicContact CD2-CG 4.38Å; F116-K120 HydrophobicContact CE1-CD 3.59Å; F116-K120 HydrophobicContact CE1-CG 4.42Å; F116-K120 HydrophobicContact CE2-CD 3.93Å; F116-K120 HydrophobicContact CE2-CG 3.9Å; F116-K120 HydrophobicContact CZ-CD 3.45Å; F116-K120 VanDerWaalsContact CZ-CD 3.45Å; F116-K120 HydrophobicContact CZ-CG 3.95Å; F116-K120 WeakPolarHBondContact O-CG 3.34Å; F116-K120 PolarHBondContact O-N 3.3Å
117	N	88	Confident	86.3	Confident	113 Å²	113	50.9 Å²	50.9	60%	0.604	28%	0.277	S	S	*	.	H	α-helix	trans	-66.3	-41.2	-179.5	-70.2	-38.6	0	0	0	111.4	G115 K120 E121	G115-N117 PolarHBondContact O-N 3.37Å; N117-K120 PolarHBondContact O-N 3.3Å; N117-E121 PolarHBondContact O-N 2.91Å; N117-E121 VanDerWaalsContact O-N 3.14Å
118	E	89.3	Confident	86.5	Confident	21 Å²	21	51.3 Å²	51.3	10%	0.098	29%	0.287	C	S	.	.	H	α-helix	trans	-68.5	-40.3	178.2	-59.9	167.9	150	0	0	110.5	L106 R108 L114 G115 K120 E121 L122	L106-E118 HydrophobicContact CB-CB 4.24Å; L106-E118 VanDerWaalsContact O-CD 3.31Å; L106-E118 WeakPolarHBondContact O-CG 3.41Å; L106-E118 VanDerWaalsContact O-OE1 3.05Å; R108-E118 PolarHBondContact N-OE1 2.71Å; R108-E118 VanDerWaalsContact N-OE1 3.15Å; L114-E118 HydrophobicContact CB-CB 4.48Å; L114-E118 HydrophobicContact CD2-CB 3.61Å; G115-E118 PolarHBondContact N-OE2 2.65Å; G115-E118 PolarHBondContact O-N 3.07Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.32Å; E118-E121 PolarHBondContact O-N 3.06Å; E118-L122 PolarHBondContact O-N 3.03Å
119	F	88.1	Confident	87.1	Confident	3 Å²	3	44.4 Å²	44.4	1%	0.013	26%	0.261	C	S	.	.	H	α-helix	trans	-57.1	-44	172.6	176.3	-103.3	0	0	0	112.5	F63 I73 L78 G115 F116 L122 F123	F63-F119 HydrophobicContact CB-CD1 4.14Å; F63-F119 HydrophobicContact CB-CE1 4.3Å; F63-F119 HydrophobicContact CD2-CB 3.9Å; F63-F119 AromaticContact CD2-CD1 3.93Å; F63-F119 HydrophobicContact CD2-CD1 3.93Å; F63-F119 AromaticContact CD2-CG 3.91Å; F63-F119 HydrophobicContact CD2-CG 3.91Å; F63-F119 HydrophobicContact CE2-CB 4.2Å; I73-F119 HydrophobicContact CD1-CB 4.45Å; I73-F119 HydrophobicContact CD1-CD2 3.62Å; I73-F119 HydrophobicContact CD1-CE2 3.98Å; I73-F119 HydrophobicContact CD1-CG 4Å; L78-F119 HydrophobicContact CD1-CE2 4.44Å; G115-F119 WeakPolarHBondContact O-CB 3.33Å; G115-F119 PolarHBondContact O-N 3.44Å; F116-F119 PolarHBondContact O-N 3.13Å; F119-L122 WeakPolarHBondContact O-CB 3.4Å; F119-L122 PolarHBondContact O-N 2.89Å; F119-F123 HydrophobicContact CZ-CD2 4.31Å; F119-F123 PolarHBondContact O-N 3.11Å
120	K	87.7	Confident	87.4	Confident	64 Å²	64	42.1 Å²	42.1	28%	0.278	25%	0.247	S	C	.	.	H	α-helix	trans	-62	-44	175.8	-75.6	177.2	53.8	172.6	0	112.5	D57 M59 F116 N117 E118 L122 F123 A124	D57-K120 WeakPolarHBondContact OD2-CD 3.44Å; D57-K120 WeakPolarHBondContact OD2-CE 3.22Å; D57-K120 IonicContact OD2-NZ 2.65Å; D57-K120 PolarHBondContact OD2-NZ 3.16Å; M59-K120 HydrophobicContact CB-CG 4.17Å; M59-K120 HydrophobicContact CE-CB 4.22Å; M59-K120 HydrophobicContact CE-CD 4.49Å; M59-K120 HydrophobicContact CE-CG 3.92Å; M59-K120 HydrophobicContact SD-CB 4.35Å; M59-K120 HydrophobicContact SD-CG 3.97Å; F116-K120 HydrophobicContact CD1-CD 4.21Å; F116-K120 HydrophobicContact CD2-CG 4.38Å; F116-K120 HydrophobicContact CE1-CD 3.59Å; F116-K120 HydrophobicContact CE1-CG 4.42Å; F116-K120 HydrophobicContact CE2-CD 3.93Å; F116-K120 HydrophobicContact CE2-CG 3.9Å; F116-K120 HydrophobicContact CZ-CD 3.45Å; F116-K120 VanDerWaalsContact CZ-CD 3.45Å; F116-K120 HydrophobicContact CZ-CG 3.95Å; F116-K120 WeakPolarHBondContact O-CG 3.34Å; F116-K120 PolarHBondContact O-N 3.3Å; N117-K120 PolarHBondContact O-N 3.3Å; E118-K120 VanDerWaalsContact C-N 3.34Å; E118-K120 PolarHBondContact O-N 3.32Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.14Å; K120-F123 PolarHBondContact O-N 3.04Å; K120-A124 PolarHBondContact O-N 2.96Å; K120-A124 VanDerWaalsContact O-N 3.1Å
121	E	88.6	Confident	87.9	Confident	68 Å²	68	42.1 Å²	42.1	32%	0.318	25%	0.245	S	C	.	.	H	α-helix	trans	-62.6	-39.9	176.7	-71.9	-173.3	-160.8	0	0	111.4	L106 R108 N117 E118 A125	L106-E121 HydrophobicContact CD1-CB 4.31Å; L106-E121 HydrophobicContact CD2-CB 4.12Å; R108-E121 IonicContact CZ-OE1 2.68Å; R108-E121 IonicContact CZ-OE2 3.63Å; R108-E121 IonicContact NH1-OE1 3.41Å; R108-E121 IonicContact NH2-OE1 2.77Å; R108-E121 PolarHBondContact NH2-OE1 3.13Å; R108-E121 IonicContact NH2-OE2 3.79Å; R108-E121 PolarHBondContact NH2-OE2 2.83Å; N117-E121 PolarHBondContact O-N 2.91Å; N117-E121 VanDerWaalsContact O-N 3.14Å; E118-E121 PolarHBondContact O-N 3.06Å; E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.88Å
122	L	89	Confident	88.1	Confident	2 Å²	2	40.6 Å²	40.6	1%	0.01	23%	0.234	C	C	.	.	H	α-helix	trans	-61.5	-49.2	176	-176.8	56.3	0	0	0	111.1	L78 M102 M105 L106 L114 E118 F119 K120 A124 A125 L126	L78-L122 HydrophobicContact CD1-CD2 3.79Å; L78-L122 HydrophobicContact CD2-CD2 3.76Å; L78-L122 HydrophobicContact CG-CD2 4.44Å; M102-L122 HydrophobicContact CB-CD1 3.84Å; M102-L122 HydrophobicContact CB-CD2 4.08Å; M102-L122 HydrophobicContact CG-CD1 4.04Å; M102-L122 HydrophobicContact SD-CD1 4.21Å; M102-L122 HydrophobicContact SD-CD2 4.42Å; M105-L122 HydrophobicContact CE-CD1 4.18Å; L106-L122 HydrophobicContact CD1-CB 3.38Å; L106-L122 HydrophobicContact CD1-CD1 3.88Å; L106-L122 HydrophobicContact CD1-CG 4.15Å; L106-L122 VanDerWaalsContact CD1-N 3.35Å; L114-L122 HydrophobicContact CD1-CD2 3.61Å; E118-L122 PolarHBondContact O-N 3.03Å; F119-L122 WeakPolarHBondContact O-CB 3.4Å; F119-L122 PolarHBondContact O-N 2.89Å; K120-L122 VanDerWaalsContact C-N 3.3Å; K120-L122 PolarHBondContact O-N 3.14Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.6Å; L122-A125 WeakPolarHBondContact O-CB 3.46Å; L122-A125 PolarHBondContact O-N 3.39Å; L122-A125 VanDerWaalsContact O-N 3.15Å; L122-L126 HydrophobicContact CD1-CD1 4.01Å; L122-L126 HydrophobicContact CD1-CG 4.03Å; L122-L126 HydrophobicContact CD2-CD1 4.42Å; L122-L126 HydrophobicContact CG-CD1 3.79Å; L122-L126 HydrophobicContact CG-CG 4.27Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 WeakPolarHBondContact O-CG 3.28Å; L122-L126 PolarHBondContact O-N 2.9Å
123	F	86.5	Confident	88.2	Confident	52 Å²	52	38.4 Å²	38.4	23%	0.228	21%	0.212	C	C	.	.	H	α-helix	trans	-63.6	-39.2	-176.3	-156.6	-91.9	0	0	0	112.1	M59 T85 I87 F119 K120 S127	M59-F123 HydrophobicContact SD-CB 3.99Å; M59-F123 HydrophobicContact SD-CD1 4.1Å; M59-F123 HydrophobicContact SD-CG 4.22Å; T85-F123 HydrophobicContact CG2-CE2 4.08Å; T85-F123 HydrophobicContact CG2-CZ 4.44Å; I87-F123 HydrophobicContact CD1-CD2 4.43Å; I87-F123 HydrophobicContact CD1-CE2 4.07Å; I87-F123 HydrophobicContact CD1-CZ 4.17Å; F119-F123 HydrophobicContact CZ-CD2 4.31Å; F119-F123 PolarHBondContact O-N 3.11Å; K120-F123 PolarHBondContact O-N 3.04Å; F123-S127 WeakPolarHBondContact O-CB 3.33Å; F123-S127 PolarHBondContact O-N 3.33Å; F123-S127 PolarHBondContact O-OG 3.15Å
124	A	87.8	Confident	88.1	Confident	63 Å²	63	40.4 Å²	40.4	52%	0.521	22%	0.224	S	C	.	.	H	α-helix	trans	-63.9	-43.8	173.2	0	0	0	0	0	111.9	K120 L122 S127 G128	K120-A124 PolarHBondContact O-N 2.96Å; K120-A124 VanDerWaalsContact O-N 3.1Å; L122-A124 VanDerWaalsContact C-N 3.32Å; L122-A124 PolarHBondContact O-N 2.6Å; A124-S127 PolarHBondContact O-N 3.46Å; A124-G128 PolarHBondContact O-N 2.85Å; A124-G128 VanDerWaalsContact O-N 3.15Å
125	A	87.8	Confident	88	Confident	13 Å²	13	46.8 Å²	46.8	11%	0.107	26%	0.255	C	S	.	.	H	α-helix	trans	-62.9	-46	177.8	0	0	0	0	0	112.2	E121 L122 S127 G128 W129	E121-A125 WeakPolarHBondContact O-CB 3.43Å; E121-A125 PolarHBondContact O-N 2.88Å; L122-A125 WeakPolarHBondContact O-CB 3.46Å; L122-A125 PolarHBondContact O-N 3.39Å; L122-A125 VanDerWaalsContact O-N 3.15Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 3.1Å; A125-G128 PolarHBondContact O-N 2.95Å; A125-G128 VanDerWaalsContact O-N 3.14Å; A125-W129 HydrophobicContact CB-CE3 4.22Å; A125-W129 HydrophobicContact CB-CH2 3.82Å; A125-W129 HydrophobicContact CB-CZ2 4.26Å; A125-W129 HydrophobicContact CB-CZ3 3.77Å; A125-W129 PolarHBondContact O-N 2.9Å
126	L	87.8	Confident	87.7	Confident	3 Å²	3	46.9 Å²	46.9	2%	0.016	25%	0.25	C	S	.	.	H	α-helix	trans	-60.3	-40.7	177.5	-73.4	170	0	0	0	112.2	L82 I87 F94 M102 L122 G128 W129 K130 V184	L82-L126 HydrophobicContact CD1-CD1 4.41Å; L82-L126 HydrophobicContact CD2-CD1 3.5Å; I87-L126 HydrophobicContact CD1-CB 3.6Å; I87-L126 HydrophobicContact CD1-CD1 4.31Å; F94-L126 HydrophobicContact CZ-CD2 4.36Å; M102-L126 HydrophobicContact CE-CD2 3.52Å; M102-L126 HydrophobicContact SD-CD1 4.01Å; M102-L126 HydrophobicContact SD-CD2 3.81Å; M102-L126 HydrophobicContact SD-CG 4.42Å; L122-L126 HydrophobicContact CD1-CD1 4.01Å; L122-L126 HydrophobicContact CD1-CG 4.03Å; L122-L126 HydrophobicContact CD2-CD1 4.42Å; L122-L126 HydrophobicContact CG-CD1 3.79Å; L122-L126 HydrophobicContact CG-CG 4.27Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 WeakPolarHBondContact O-CG 3.28Å; L122-L126 PolarHBondContact O-N 2.9Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.14Å; L126-W129 HydrophobicContact CD2-CE3 3.96Å; L126-W129 HydrophobicContact CD2-CZ3 4.14Å; L126-W129 HydrophobicContact CG-CE3 4.39Å; L126-W129 HydrophobicContact CG-CZ3 4.41Å; L126-W129 PolarHBondContact O-N 3.45Å; L126-K130 VanDerWaalsContact O-CB 3.32Å; L126-K130 WeakPolarHBondContact O-CB 3.43Å; L126-K130 PolarHBondContact O-N 2.95Å; L126-V184 HydrophobicContact CD2-CG1 3.65Å
127	S	87	Confident	87.5	Confident	43 Å²	43	46 Å²	46	30%	0.301	25%	0.247	S	C	.	.	H	α-helix	trans	-61.1	-43.1	175.4	-61.5	0	0	0	0	111.5	F123 A124 A125 K130 Q131	F123-S127 WeakPolarHBondContact O-CB 3.33Å; F123-S127 PolarHBondContact O-N 3.33Å; F123-S127 PolarHBondContact O-OG 3.15Å; A124-S127 PolarHBondContact O-N 3.46Å; A125-S127 VanDerWaalsContact C-N 3.31Å; A125-S127 PolarHBondContact O-N 3.1Å; S127-K130 PolarHBondContact O-N 2.79Å; S127-Q131 WeakPolarHBondContact O-CG 3.15Å; S127-Q131 PolarHBondContact O-N 3.2Å
128	G	87.6	Confident	87	Confident	34 Å²	34	48.6 Å²	48.6	35%	0.351	26%	0.255	S	S	.	.	H	α-helix	trans	-64.5	-44.3	175.8	0	0	0	0	0	113.3	A124 A125 L126 Q131 N132	A124-G128 PolarHBondContact O-N 2.85Å; A124-G128 VanDerWaalsContact O-N 3.15Å; A125-G128 PolarHBondContact O-N 2.95Å; A125-G128 VanDerWaalsContact O-N 3.14Å; L126-G128 VanDerWaalsContact C-N 3.33Å; L126-G128 PolarHBondContact O-N 3.14Å; G128-Q131 PolarHBondContact O-N 3.31Å; G128-N132 WeakPolarHBondContact O-CB 3.41Å; G128-N132 PolarHBondContact O-N 3.42Å
129	W	88.4	Confident	86.6	Confident	6 Å²	6	53.1 Å²	53.1	2%	0.023	28%	0.28	C	S	.	.	H	α-helix	trans	-66.4	-37.4	176.7	-65.6	-44	0	0	0	112.7	M105 A125 L126 N132 F133 Y183 V184 A187 V188 R191	M105-W129 HydrophobicContact CE-CH2 3.7Å; M105-W129 HydrophobicContact CE-CZ3 4.39Å; M105-W129 HydrophobicContact SD-CH2 3.69Å; M105-W129 HydrophobicContact SD-CZ2 4.31Å; A125-W129 HydrophobicContact CB-CE3 4.22Å; A125-W129 HydrophobicContact CB-CH2 3.82Å; A125-W129 HydrophobicContact CB-CZ2 4.26Å; A125-W129 HydrophobicContact CB-CZ3 3.77Å; A125-W129 PolarHBondContact O-N 2.9Å; L126-W129 HydrophobicContact CD2-CE3 3.96Å; L126-W129 HydrophobicContact CD2-CZ3 4.14Å; L126-W129 HydrophobicContact CG-CE3 4.39Å; L126-W129 HydrophobicContact CG-CZ3 4.41Å; L126-W129 PolarHBondContact O-N 3.45Å; W129-N132 PolarHBondContact O-N 2.87Å; W129-F133 WeakPolarHBondContact O-CB 3.39Å; W129-F133 PolarHBondContact O-N 3.19Å; W129-Y183 HydrophobicContact CB-CE1 4.38Å; W129-V184 HydrophobicContact CE3-CG1 4.23Å; W129-A187 HydrophobicContact CD2-CB 4.12Å; W129-A187 HydrophobicContact CG-CB 4.06Å; W129-A187 HydrophobicContact CZ2-CB 4.46Å; W129-V188 HydrophobicContact CE3-CG2 4.12Å; W129-V188 HydrophobicContact CH2-CB 4.17Å; W129-V188 HydrophobicContact CH2-CG2 3.44Å; W129-V188 VanDerWaalsContact CH2-CG2 3.44Å; W129-V188 HydrophobicContact CZ2-CG2 4.33Å; W129-V188 HydrophobicContact CZ3-CB 4.5Å; W129-V188 HydrophobicContact CZ3-CG2 3.34Å; W129-R191 HydrophobicContact CZ2-CB 4.29Å
130	K	86.9	Confident	86.3	Confident	46 Å²	46	62.8 Å²	62.8	20%	0.2	32%	0.316	C	S	.	.	H	α-helix	trans	-61.1	-48	173.3	-177.2	-177.9	-176.3	167.9	0	111.5	I87 L126 S127 N132 F133 M134 F180	I87-K130 HydrophobicContact CG1-CD 4.34Å; I87-K130 VanDerWaalsContact O-CD 3.23Å; I87-K130 WeakPolarHBondContact O-CD 3.46Å; I87-K130 WeakPolarHBondContact O-CE 3.32Å; I87-K130 PolarHBondContact O-NZ 3.49Å; L126-K130 VanDerWaalsContact O-CB 3.32Å; L126-K130 WeakPolarHBondContact O-CB 3.43Å; L126-K130 PolarHBondContact O-N 2.95Å; S127-K130 PolarHBondContact O-N 2.79Å; K130-N132 VanDerWaalsContact C-N 3.3Å; K130-N132 PolarHBondContact O-N 3.29Å; K130-F133 PolarHBondContact O-N 3.07Å; K130-M134 HydrophobicContact CG-CG 4.47Å; K130-M134 HydrophobicContact CG-SD 4.08Å; K130-M134 VanDerWaalsContact O-CG 3.3Å; K130-M134 WeakPolarHBondContact O-CG 3.36Å; K130-M134 PolarHBondContact O-N 3.26Å; K130-F180 HydrophobicContact CB-CE2 4.38Å; K130-F180 HydrophobicContact CB-CZ 4.16Å; K130-F180 HydrophobicContact CG-CZ 4.26Å
131	Q	88.6	Confident	86.1	Confident	144 Å²	144	62.2 Å²	62.2	67%	0.673	32%	0.321	S	S	*	.	H	α-helix	trans	-60	-42.1	177.1	-75.2	178.3	-20.6	0	0	111.8	S127 G128 M134 M135	S127-Q131 WeakPolarHBondContact O-CG 3.15Å; S127-Q131 PolarHBondContact O-N 3.2Å; G128-Q131 PolarHBondContact O-N 3.31Å; Q131-M134 PolarHBondContact O-N 3.25Å; Q131-M135 PolarHBondContact O-N 3.01Å
132	N	87.5	Confident	85.9	Confident	31 Å²	31	59.5 Å²	59.5	17%	0.166	31%	0.311	C	S	.	.	H	α-helix	trans	-63.1	-47.3	175.6	-168.2	-71.2	0	0	0	111.1	G128 W129 K130 M134 M135 F136 S152 Y183	G128-N132 WeakPolarHBondContact O-CB 3.41Å; G128-N132 PolarHBondContact O-N 3.42Å; W129-N132 PolarHBondContact O-N 2.87Å; K130-N132 VanDerWaalsContact C-N 3.3Å; K130-N132 PolarHBondContact O-N 3.29Å; N132-M134 VanDerWaalsContact C-N 3.35Å; N132-M134 PolarHBondContact O-N 3.23Å; N132-M135 VanDerWaalsContact O-CB 3.32Å; N132-M135 WeakPolarHBondContact O-CB 3.39Å; N132-M135 PolarHBondContact O-N 2.93Å; N132-M135 VanDerWaalsContact O-N 3.08Å; N132-F136 WeakPolarHBondContact O-CD2 3.34Å; N132-F136 WeakPolarHBondContact OD1-CD2 3.44Å; N132-F136 VanDerWaalsContact OD1-CE2 3.24Å; N132-F136 WeakPolarHBondContact OD1-CE2 3.16Å; N132-S152 WeakPolarHBondContact OD1-CB 3.44Å; N132-S152 PolarHBondContact OD1-OG 2.85Å; N132-Y183 PolarHBondContact OD1-OH 3.39Å
133	F	87.5	Confident	85.9	Confident	0 Å²	0	59.8 Å²	59.8	0%	0	31%	0.313	C	S	.	.	H	α-helix	trans	-56.6	-47.4	177.1	-173.9	-92.7	0	0	0	112	Y91 W129 K130 M135 F136 D137 V144 F180 Y183	Y91-F133 HydrophobicContact CE1-CE1 4.03Å; Y91-F133 HydrophobicContact CE2-CD1 4.09Å; Y91-F133 HydrophobicContact CE2-CE1 4.14Å; Y91-F133 AromaticContact CZ-CD1 3.99Å; Y91-F133 AromaticContact CZ-CE1 3.75Å; W129-F133 WeakPolarHBondContact O-CB 3.39Å; W129-F133 PolarHBondContact O-N 3.19Å; K130-F133 PolarHBondContact O-N 3.07Å; F133-M135 PolarHBondContact O-N 2.8Å; F133-F136 PolarHBondContact O-N 3.23Å; F133-D137 HydrophobicContact CD1-CB 3.99Å; F133-D137 HydrophobicContact CE1-CB 3.71Å; F133-D137 HydrophobicContact CZ-CB 4.35Å; F133-D137 WeakPolarHBondContact O-CB 3.44Å; F133-D137 PolarHBondContact O-N 2.83Å; F133-V144 HydrophobicContact CD2-CG1 3.84Å; F133-V144 HydrophobicContact CE2-CB 4.3Å; F133-V144 HydrophobicContact CE2-CG1 3.53Å; F133-V144 HydrophobicContact CE2-CG2 3.99Å; F133-V144 HydrophobicContact CZ-CG1 3.98Å; F133-F180 HydrophobicContact CB-CD2 4.1Å; F133-F180 HydrophobicContact CB-CE2 4.05Å; F133-F180 AromaticContact CD1-CD2 3.66Å; F133-F180 HydrophobicContact CD1-CD2 3.66Å; F133-F180 HydrophobicContact CD1-CE2 4.28Å; F133-F180 AromaticContact CD2-CD2 3.86Å; F133-F180 HydrophobicContact CD2-CD2 3.86Å; F133-F180 HydrophobicContact CE1-CB 4.15Å; F133-F180 AromaticContact CE1-CD2 3.98Å; F133-F180 HydrophobicContact CE1-CD2 3.98Å; F133-F180 HydrophobicContact CE1-CG 4.46Å; F133-F180 HydrophobicContact CE2-CB 4.28Å; F133-F180 HydrophobicContact CE2-CD2 4.13Å; F133-F180 AromaticContact CG-CD2 3.59Å; F133-F180 HydrophobicContact CG-CD2 3.59Å; F133-F180 HydrophobicContact CG-CE2 4.07Å; F133-F180 HydrophobicContact CZ-CB 3.92Å; F133-F180 HydrophobicContact CZ-CD2 4.19Å; F133-Y183 HydrophobicContact CB-CD1 4.15Å; F133-Y183 HydrophobicContact CB-CE1 3.86Å; F133-Y183 AromaticContact CD2-CD1 3.55Å; F133-Y183 HydrophobicContact CD2-CD1 3.55Å; F133-Y183 AromaticContact CD2-CD2 3.85Å; F133-Y183 HydrophobicContact CD2-CD2 3.85Å; F133-Y183 AromaticContact CD2-CE1 3.99Å; F133-Y183 HydrophobicContact CD2-CE1 3.99Å; F133-Y183 HydrophobicContact CD2-CE2 4.28Å; F133-Y183 AromaticContact CD2-CG 3.49Å; F133-Y183 HydrophobicContact CD2-CG 3.49Å; F133-Y183 VanDerWaalsContact CD2-CG 3.49Å; F133-Y183 HydrophobicContact CE2-CD1 4.38Å; F133-Y183 HydrophobicContact CE2-CD2 4.36Å; F133-Y183 AromaticContact CE2-CG 3.97Å; F133-Y183 HydrophobicContact CE2-CG 3.97Å; F133-Y183 HydrophobicContact CG-CD1 4.27Å; F133-Y183 HydrophobicContact CG-CE1 4.42Å
134	M	87.4	Confident	86.1	Confident	103 Å²	103	57.4 Å²	57.4	51%	0.507	30%	0.302	S	S	.	.	H	α-helix	trans	-63.7	-23.7	178.8	-70.1	177.8	67.7	0	0	113.7	K130 Q131 N132 F136	K130-M134 HydrophobicContact CG-CG 4.47Å; K130-M134 HydrophobicContact CG-SD 4.08Å; K130-M134 VanDerWaalsContact O-CG 3.3Å; K130-M134 WeakPolarHBondContact O-CG 3.36Å; K130-M134 PolarHBondContact O-N 3.26Å; Q131-M134 PolarHBondContact O-N 3.25Å; N132-M134 VanDerWaalsContact C-N 3.35Å; N132-M134 PolarHBondContact O-N 3.23Å; M134-F136 VanDerWaalsContact C-N 3.29Å
135	M	88.1	Confident	86.3	Confident	133 Å²	133	57.9 Å²	57.9	66%	0.655	29%	0.294	S	S	*	.	H	α-helix	trans	-71	-28.7	174.9	-174.6	176.6	174.1	0	0	112	Q131 N132 F133	Q131-M135 PolarHBondContact O-N 3.01Å; N132-M135 VanDerWaalsContact O-CB 3.32Å; N132-M135 WeakPolarHBondContact O-CB 3.39Å; N132-M135 PolarHBondContact O-N 2.93Å; N132-M135 VanDerWaalsContact O-N 3.08Å; F133-M135 PolarHBondContact O-N 2.8Å
136	F	84.9	Confident	86.4	Confident	21 Å²	21	59.6 Å²	59.6	9%	0.092	30%	0.304	C	S	.	.	H	α-helix	trans	-97.9	-35.7	-179.4	-65.5	-73.6	0	0	0	112.8	N132 F133 M134 Q138 V144 E148 Q151 S152 A155	N132-F136 WeakPolarHBondContact O-CD2 3.34Å; N132-F136 WeakPolarHBondContact OD1-CD2 3.44Å; N132-F136 VanDerWaalsContact OD1-CE2 3.24Å; N132-F136 WeakPolarHBondContact OD1-CE2 3.16Å; F133-F136 PolarHBondContact O-N 3.23Å; M134-F136 VanDerWaalsContact C-N 3.29Å; F136-Q138 PolarHBondContact O-N 3.05Å; F136-V144 HydrophobicContact CB-CG1 4.21Å; F136-E148 HydrophobicContact CB-CB 4.12Å; F136-E148 HydrophobicContact CB-CG 4.27Å; F136-E148 HydrophobicContact CD1-CB 4.45Å; F136-Q151 HydrophobicContact CD1-CB 4.31Å; F136-Q151 HydrophobicContact CE1-CB 3.56Å; F136-Q151 HydrophobicContact CZ-CB 4.09Å; F136-S152 VanDerWaalsContact CE2-CA 3.44Å; F136-A155 HydrophobicContact CZ-CB 4.27Å
137	D	83.9	Confident	86.4	Confident	3 Å²	3	64.1 Å²	64.1	2%	0.016	33%	0.325	C	S	.	.			trans	-76.3	60.9	173.3	-178.1	38.1	0	0	0	111.4	Y91 F133 D139 R140 S141 G142 V144	Y91-D137 VanDerWaalsContact CE1-OD2 3.25Å; Y91-D137 WeakPolarHBondContact CE1-OD2 3.47Å; Y91-D137 PolarHBondContact OH-OD2 2.89Å; F133-D137 HydrophobicContact CD1-CB 3.99Å; F133-D137 HydrophobicContact CE1-CB 3.71Å; F133-D137 HydrophobicContact CZ-CB 4.35Å; F133-D137 WeakPolarHBondContact O-CB 3.44Å; F133-D137 PolarHBondContact O-N 2.83Å; D137-D139 VanDerWaalsContact C-N 3.27Å; D137-D139 PolarHBondContact O-N 2.86Å; D137-R140 PolarHBondContact O-N 3.07Å; D137-R140 VanDerWaalsContact O-N 3.11Å; D137-R140 WeakPolarHBondContact OD1-CA 3.35Å; D137-R140 PolarHBondContact OD1-N 2.99Å; D137-R140 WeakPolarHBondContact OD2-CA 3.44Å; D137-S141 PolarHBondContact OD1-N 3.34Å; D137-S141 PolarHBondContact OD1-OG 2.86Å; D137-S141 VanDerWaalsContact OD1-OG 3.06Å; D137-G142 PolarHBondContact OD1-N 2.81Å; D137-G142 PolarHBondContact OD2-N 3.45Å; D137-V144 HydrophobicContact CB-CG1 4.39Å
138	Q	76.7	Confident	86.6	Confident	168 Å²	168	64 Å²	64	79%	0.785	32%	0.319	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64.8	-31.6	-174.4	-65.6	-171.8	5.1	0	0	113	F136 R140	F136-Q138 PolarHBondContact O-N 3.05Å; Q138-R140 VanDerWaalsContact C-N 3.28Å
139	D	80.9	Confident	86.7	Confident	115 Å²	115	62.5 Å²	62.5	62%	0.615	30%	0.303	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.5	178	71	-11.2	0	0	0	113.1	D137 S141	D137-D139 VanDerWaalsContact C-N 3.27Å; D137-D139 PolarHBondContact O-N 2.86Å; D139-S141 PolarHBondContact O-N 3.41Å; D139-S141 VanDerWaalsContact OD1-CB 3.23Å; D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 3.32Å; D139-S141 PolarHBondContact OD1-OG 2.84Å; D139-S141 VanDerWaalsContact OD1-OG 3.13Å
140	R	81.1	Confident	86.8	Confident	206 Å²	206	64.4 Å²	64.4	78%	0.777	32%	0.316	S	S	*	.			trans	55.3	33.4	-175.9	-48.5	-174.8	-152.1	179.4	6.1	112.6	D137 Q138 G142	D137-R140 PolarHBondContact O-N 3.07Å; D137-R140 VanDerWaalsContact O-N 3.11Å; D137-R140 WeakPolarHBondContact OD1-CA 3.35Å; D137-R140 PolarHBondContact OD1-N 2.99Å; D137-R140 WeakPolarHBondContact OD2-CA 3.44Å; Q138-R140 VanDerWaalsContact C-N 3.28Å; R140-G142 PolarHBondContact O-N 2.83Å
141	S	83.2	Confident	86.8	Confident	53 Å²	53	67.1 Å²	67.1	37%	0.371	33%	0.329	S	S	.	.			trans	-63.6	-19.3	174.4	68.6	0	0	0	0	112.5	D137 D139 T143	D137-S141 PolarHBondContact OD1-N 3.34Å; D137-S141 PolarHBondContact OD1-OG 2.86Å; D137-S141 VanDerWaalsContact OD1-OG 3.06Å; D139-S141 PolarHBondContact O-N 3.41Å; D139-S141 VanDerWaalsContact OD1-CB 3.23Å; D139-S141 WeakPolarHBondContact OD1-CB 3.43Å; D139-S141 PolarHBondContact OD1-N 3.32Å; D139-S141 PolarHBondContact OD1-OG 2.84Å; D139-S141 VanDerWaalsContact OD1-OG 3.13Å; S141-T143 PolarHBondContact OG-N 2.99Å; S141-T143 VanDerWaalsContact OG-N 3.15Å; S141-T143 PolarHBondContact OG-O 3.19Å; S141-T143 PolarHBondContact OG-OG1 3.46Å
142	G	85.2	Confident	86.9	Confident	11 Å²	11	60.3 Å²	60.3	11%	0.113	30%	0.297	C	S	.	.	S	Bend	trans	75.3	16.2	-171.3	0	0	0	0	0	113.5	D137 R140 F180	D137-G142 PolarHBondContact OD1-N 2.81Å; D137-G142 PolarHBondContact OD2-N 3.45Å; R140-G142 PolarHBondContact O-N 2.83Å; G142-F180 PolarHBondContact O-N 3.38Å
143	T	89.5	Confident	87	Confident	8 Å²	8	58.9 Å²	58.9	5%	0.049	29%	0.29	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.5	153.5	175.9	64.2	0	0	0	0	110.6	S141 R177 I178 Y179	S141-T143 PolarHBondContact OG-N 2.99Å; S141-T143 VanDerWaalsContact OG-N 3.15Å; S141-T143 PolarHBondContact OG-O 3.19Å; S141-T143 PolarHBondContact OG-OG1 3.46Å; T143-R177 HydrophobicContact CG2-CB 4.04Å; T143-R177 PolarHBondContact OG1-NH1 3.48Å; T143-I178 CarbonylContact C-O 3.56Å; T143-I178 VanDerWaalsContact CA-O 3.22Å; T143-I178 WeakPolarHBondContact CA-O 3.46Å; T143-Y179 HydrophobicContact CG2-CD1 3.7Å; T143-Y179 HydrophobicContact CG2-CE1 3.73Å; T143-Y179 HydrophobicContact CG2-CG 4.16Å
144	V	90.8	Very high	87	Confident	1 Å²	1	61.4 Å²	61.4	1%	0.006	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.4	147.4	166	-65.4	0	0	0	0	110.2	F133 F136 D137 E148 M149 I178 Y183	F133-V144 HydrophobicContact CD2-CG1 3.84Å; F133-V144 HydrophobicContact CE2-CB 4.3Å; F133-V144 HydrophobicContact CE2-CG1 3.53Å; F133-V144 HydrophobicContact CE2-CG2 3.99Å; F133-V144 HydrophobicContact CZ-CG1 3.98Å; F136-V144 HydrophobicContact CB-CG1 4.21Å; D137-V144 HydrophobicContact CB-CG1 4.39Å; V144-E148 VanDerWaalsContact CA-OE2 3.31Å; V144-E148 WeakPolarHBondContact CA-OE2 3.48Å; V144-E148 HydrophobicContact CB-CB 4.03Å; V144-E148 HydrophobicContact CG1-CB 4.48Å; V144-M149 HydrophobicContact CG2-SD 4.5Å; V144-I178 HydrophobicContact CG2-CB 3.88Å; V144-I178 HydrophobicContact CG2-CG2 4.27Å; V144-I178 PolarHBondContact N-O 3.06Å; V144-I178 PolarHBondContact O-N 3.03Å; V144-Y183 HydrophobicContact CG2-CD2 4.07Å
145	E	90.9	Very high	87	Confident	73 Å²	73	59.7 Å²	59.7	34%	0.341	31%	0.309	S	S	.	.			trans	-84.5	158.1	176	-66.9	-175.6	173.3	0	0	111	H147 E148 M149 R177	E145-H147 WeakPolarHBondContact CB-ND1 3.37Å; E145-H147 PolarHBondContact O-N 3.44Å; E145-H147 IonicContact OE2-CE1 3.77Å; E145-H147 PolarHBondContact OE2-CE1 3.31Å; E145-H147 IonicContact OE2-ND1 3.77Å; E145-H147 IonicContact OE2-NE2 3.72Å; E145-E148 PolarHBondContact N-OE2 2.87Å; E145-E148 WeakPolarHBondContact O-CB 3.46Å; E145-E148 PolarHBondContact O-N 3.35Å; E145-M149 PolarHBondContact O-N 3.01Å; E145-R177 IonicContact OE1-NH1 3.64Å; E145-R177 IonicContact OE1-NH2 3.81Å
146	P	89.8	Confident	86.8	Confident	50 Å²	50	54.3 Å²	54.3	33%	0.325	28%	0.283	S	S	.	.	H	α-helix	trans	-46.3	-40.1	178.1	-36.5	40.2	0	0	0	115.6	T150 I169 G176	P146-T150 PolarHBondContact O-N 2.94Å; P146-T150 VanDerWaalsContact O-N 3.14Å; P146-T150 PolarHBondContact O-OG1 3.1Å; P146-I169 HydrophobicContact CB-CG2 3.73Å; P146-I169 HydrophobicContact CG-CG2 4.01Å; P146-I169 WeakPolarHBondContact O-CD1 3.46Å; P146-G176 WeakPolarHBondContact CD-O 3.45Å
147	H	88.5	Confident	87	Confident	98 Å²	98	54.4 Å²	54.4	45%	0.454	29%	0.29	S	S	.	.	H	α-helix	trans	-71.9	-30.1	-179.9	73.9	-26.2	0	0	0	113.3	E145 T150 Q151	E145-H147 WeakPolarHBondContact CB-ND1 3.37Å; E145-H147 PolarHBondContact O-N 3.44Å; E145-H147 IonicContact OE2-CE1 3.77Å; E145-H147 PolarHBondContact OE2-CE1 3.31Å; E145-H147 IonicContact OE2-ND1 3.77Å; E145-H147 IonicContact OE2-NE2 3.72Å; H147-T150 WeakPolarHBondContact O-CB 3.28Å; H147-Q151 WeakPolarHBondContact O-CG 3.49Å; H147-Q151 PolarHBondContact O-N 2.89Å; H147-Q151 PolarHBondContact O-NE2 3.23Å
148	E	90.7	Very high	87.2	Confident	40 Å²	40	54.9 Å²	54.9	19%	0.187	29%	0.292	C	S	.	.	H	α-helix	trans	-75.9	-41	176.6	-79	158.5	175.6	0	0	109.7	F136 V144 E145 T150 Q151 S152	F136-E148 HydrophobicContact CB-CB 4.12Å; F136-E148 HydrophobicContact CB-CG 4.27Å; F136-E148 HydrophobicContact CD1-CB 4.45Å; V144-E148 VanDerWaalsContact CA-OE2 3.31Å; V144-E148 WeakPolarHBondContact CA-OE2 3.48Å; V144-E148 HydrophobicContact CB-CB 4.03Å; V144-E148 HydrophobicContact CG1-CB 4.48Å; E145-E148 PolarHBondContact N-OE2 2.87Å; E145-E148 WeakPolarHBondContact O-CB 3.46Å; E145-E148 PolarHBondContact O-N 3.35Å; E148-T150 PolarHBondContact O-N 3.27Å; E148-Q151 PolarHBondContact O-N 3.29Å; E148-Q151 VanDerWaalsContact O-N 3.15Å; E148-S152 VanDerWaalsContact O-CB 3.29Å; E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 2.92Å
149	M	90.3	Very high	87.8	Confident	2 Å²	2	57 Å²	57	1%	0.01	29%	0.293	C	S	.	.	H	α-helix	trans	-56.4	-41.3	171.9	-170.8	68.5	-179.8	0	0	111.7	V144 E145 S152 I153 I169 I178 Y183 C186	V144-M149 HydrophobicContact CG2-SD 4.5Å; E145-M149 PolarHBondContact O-N 3.01Å; M149-S152 PolarHBondContact O-N 2.75Å; M149-I153 HydrophobicContact CE-CD1 3.82Å; M149-I153 HydrophobicContact CE-CG1 4.26Å; M149-I153 HydrophobicContact CG-CD1 4.02Å; M149-I153 WeakPolarHBondContact O-CB 3.43Å; M149-I153 WeakPolarHBondContact O-CG1 3.5Å; M149-I153 PolarHBondContact O-N 2.93Å; M149-I153 HydrophobicContact SD-CD1 4.48Å; M149-I169 HydrophobicContact CB-CG1 4.27Å; M149-I169 HydrophobicContact CG-CG1 3.99Å; M149-I178 HydrophobicContact CB-CD1 3.73Å; M149-I178 HydrophobicContact CG-CD1 3.75Å; M149-I178 HydrophobicContact SD-CD1 4.13Å; M149-Y183 HydrophobicContact CE-CD2 4.07Å; M149-Y183 HydrophobicContact CE-CE2 4.45Å; M149-Y183 HydrophobicContact SD-CD2 3.41Å; M149-Y183 WeakPolarHBondContact SD-CD2 3.32Å; M149-Y183 HydrophobicContact SD-CE2 3.77Å; M149-C186 HydrophobicContact CE-CB 3.67Å; M149-C186 WeakPolarHBondContact CE-SG 3.31Å
150	T	89.9	Confident	88.2	Confident	47 Å²	47	54 Å²	54	29%	0.288	28%	0.275	S	S	.	.	H	α-helix	trans	-62.6	-45.6	176.7	-64.7	0	0	0	0	112	P146 H147 E148 S154 L165 I169	P146-T150 PolarHBondContact O-N 2.94Å; P146-T150 VanDerWaalsContact O-N 3.14Å; P146-T150 PolarHBondContact O-OG1 3.1Å; H147-T150 WeakPolarHBondContact O-CB 3.28Å; E148-T150 PolarHBondContact O-N 3.27Å; T150-S154 WeakPolarHBondContact O-CB 3.22Å; T150-S154 PolarHBondContact O-N 3.2Å; T150-S154 VanDerWaalsContact O-N 3.14Å; T150-S154 PolarHBondContact O-OG 3.03Å; T150-L165 HydrophobicContact CG2-CD2 3.61Å; T150-I169 VanDerWaalsContact OG1-CD1 3.31Å; T150-I169 WeakPolarHBondContact OG1-CD1 3.29Å
151	Q	88.5	Confident	88.7	Confident	102 Å²	102	47.3 Å²	47.3	48%	0.477	26%	0.26	S	S	.	.	H	α-helix	trans	-66.7	-42.4	178.1	-70	175.3	55.6	0	0	111.5	F136 H147 E148 S154 A155	F136-Q151 HydrophobicContact CD1-CB 4.31Å; F136-Q151 HydrophobicContact CE1-CB 3.56Å; F136-Q151 HydrophobicContact CZ-CB 4.09Å; H147-Q151 WeakPolarHBondContact O-CG 3.49Å; H147-Q151 PolarHBondContact O-N 2.89Å; H147-Q151 PolarHBondContact O-NE2 3.23Å; E148-Q151 PolarHBondContact O-N 3.29Å; E148-Q151 VanDerWaalsContact O-N 3.15Å; Q151-S154 CarbonylContact O-C 3.51Å; Q151-S154 WeakPolarHBondContact O-CB 3.4Å; Q151-S154 PolarHBondContact O-N 2.73Å; Q151-A155 WeakPolarHBondContact O-CB 3.39Å; Q151-A155 PolarHBondContact O-N 2.94Å
152	S	89.7	Confident	89.1	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.007	27%	0.274	C	S	.	.	H	α-helix	trans	-60.2	-50.9	177	167.7	0	0	0	0	112.4	N132 F136 E148 M149 S154 A155 M156 Y183	N132-S152 WeakPolarHBondContact OD1-CB 3.44Å; N132-S152 PolarHBondContact OD1-OG 2.85Å; F136-S152 VanDerWaalsContact CE2-CA 3.44Å; E148-S152 VanDerWaalsContact O-CB 3.29Å; E148-S152 WeakPolarHBondContact O-CB 3.46Å; E148-S152 PolarHBondContact O-N 2.92Å; M149-S152 PolarHBondContact O-N 2.75Å; S152-S154 PolarHBondContact O-N 3.28Å; S152-A155 WeakPolarHBondContact O-CB 3.43Å; S152-A155 PolarHBondContact O-N 3.06Å; S152-M156 WeakPolarHBondContact O-CG 3.37Å; S152-M156 PolarHBondContact O-N 3.39Å; S152-Y183 WeakPolarHBondContact OG-CE2 3.17Å; S152-Y183 PolarHBondContact OG-OH 2.8Å
153	I	89.7	Confident	89.5	Confident	2 Å²	2	56.9 Å²	56.9	1%	0.01	31%	0.305	C	S	.	.	H	α-helix	trans	-58.3	-40.4	176.6	-73.4	171.3	0	0	0	110.8	M149 M156 G157 Y158 I160 L165 L190	M149-I153 HydrophobicContact CE-CD1 3.82Å; M149-I153 HydrophobicContact CE-CG1 4.26Å; M149-I153 HydrophobicContact CG-CD1 4.02Å; M149-I153 WeakPolarHBondContact O-CB 3.43Å; M149-I153 WeakPolarHBondContact O-CG1 3.5Å; M149-I153 PolarHBondContact O-N 2.93Å; M149-I153 HydrophobicContact SD-CD1 4.48Å; I153-M156 HydrophobicContact CG1-CE 4.04Å; I153-M156 PolarHBondContact O-N 3.15Å; I153-G157 PolarHBondContact O-N 2.91Å; I153-Y158 HydrophobicContact CG2-CD2 4.24Å; I153-Y158 HydrophobicContact CG2-CG 4.41Å; I153-Y158 PolarHBondContact O-N 2.76Å; I153-I160 HydrophobicContact CG2-CD1 3.81Å; I153-I160 HydrophobicContact CG2-CG1 4.45Å; I153-L165 HydrophobicContact CB-CD1 4.37Å; I153-L165 HydrophobicContact CD1-CD1 3.41Å; I153-L165 VanDerWaalsContact CD1-CD1 3.41Å; I153-L165 HydrophobicContact CG1-CD1 4.47Å; I153-L165 HydrophobicContact CG2-CD1 4.17Å; I153-L190 HydrophobicContact CG1-CD2 4.44Å; I153-L190 HydrophobicContact CG2-CD2 4.2Å
154	S	88.2	Confident	89.6	Confident	52 Å²	52	58.5 Å²	58.5	36%	0.364	32%	0.319	S	S	.	.	H	α-helix	trans	-67.5	-38.3	176.5	-59.4	0	0	0	0	112.5	T150 Q151 S152 M156 G157	T150-S154 WeakPolarHBondContact O-CB 3.22Å; T150-S154 PolarHBondContact O-N 3.2Å; T150-S154 VanDerWaalsContact O-N 3.14Å; T150-S154 PolarHBondContact O-OG 3.03Å; Q151-S154 CarbonylContact O-C 3.51Å; Q151-S154 WeakPolarHBondContact O-CB 3.4Å; Q151-S154 PolarHBondContact O-N 2.73Å; S152-S154 PolarHBondContact O-N 3.28Å; S154-M156 VanDerWaalsContact C-N 3.35Å; S154-G157 WeakPolarHBondContact O-CA 3.37Å; S154-G157 PolarHBondContact O-N 3.39Å
155	A	86.2	Confident	89.7	Confident	67 Å²	67	59.2 Å²	59.2	55%	0.554	32%	0.323	S	S	*	.	H	α-helix	trans	-69.9	-31.1	177.7	0	0	0	0	0	112.3	F136 Q151 S152 G157	F136-A155 HydrophobicContact CZ-CB 4.27Å; Q151-A155 WeakPolarHBondContact O-CB 3.39Å; Q151-A155 PolarHBondContact O-N 2.94Å; S152-A155 WeakPolarHBondContact O-CB 3.43Å; S152-A155 PolarHBondContact O-N 3.06Å; A155-G157 PolarHBondContact O-N 2.86Å
156	M	85	Confident	89.7	Confident	21 Å²	21	60.1 Å²	60.1	10%	0.103	33%	0.33	C	S	.	.	T	Hydrogen-bonded Turn	trans	-70.1	-3.9	168.3	-68.5	-171.7	-76.3	0	0	113	S152 I153 S154 Y158	S152-M156 WeakPolarHBondContact O-CG 3.37Å; S152-M156 PolarHBondContact O-N 3.39Å; I153-M156 HydrophobicContact CG1-CE 4.04Å; I153-M156 PolarHBondContact O-N 3.15Å; S154-M156 VanDerWaalsContact C-N 3.35Å; M156-Y158 HydrophobicContact CB-CD2 3.62Å; M156-Y158 HydrophobicContact CB-CE2 3.6Å; M156-Y158 HydrophobicContact CE-CD2 4.45Å; M156-Y158 HydrophobicContact CE-CE2 4.28Å; M156-Y158 HydrophobicContact CG-CE2 4.49Å; M156-Y158 HydrophobicContact SD-CE2 4.18Å
157	G	87.7	Confident	89.9	Confident	23 Å²	23	60.7 Å²	60.7	24%	0.237	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	87.2	6.9	174.7	0	0	0	0	0	114.7	P4 I153 S154 A155	P4-G157 WeakPolarHBondContact CD-O 3.46Å; P4-G157 WeakPolarHBondContact CG-O 3.35Å; I153-G157 PolarHBondContact O-N 2.91Å; S154-G157 WeakPolarHBondContact O-CA 3.37Å; S154-G157 PolarHBondContact O-N 3.39Å; A155-G157 PolarHBondContact O-N 2.86Å
158	Y	89.1	Confident	90.1	Very high	13 Å²	13	57.9 Å²	57.9	5%	0.051	33%	0.329	C	S	.	.			trans	-74.6	134.9	176.5	-60.8	-72.5	0	0	0	111	I153 M156 L190 R191 T194	I153-Y158 HydrophobicContact CG2-CD2 4.24Å; I153-Y158 HydrophobicContact CG2-CG 4.41Å; I153-Y158 PolarHBondContact O-N 2.76Å; M156-Y158 HydrophobicContact CB-CD2 3.62Å; M156-Y158 HydrophobicContact CB-CE2 3.6Å; M156-Y158 HydrophobicContact CE-CD2 4.45Å; M156-Y158 HydrophobicContact CE-CE2 4.28Å; M156-Y158 HydrophobicContact CG-CE2 4.49Å; M156-Y158 HydrophobicContact SD-CE2 4.18Å; Y158-L190 HydrophobicContact CD1-CD2 4.01Å; Y158-L190 HydrophobicContact CD1-CG 4.07Å; Y158-L190 HydrophobicContact CD2-CD2 3.4Å; Y158-L190 VanDerWaalsContact CD2-CD2 3.4Å; Y158-L190 HydrophobicContact CD2-CG 4.25Å; Y158-L190 HydrophobicContact CE1-CD2 4.17Å; Y158-L190 HydrophobicContact CE1-CG 3.95Å; Y158-L190 HydrophobicContact CE2-CD2 3.59Å; Y158-L190 HydrophobicContact CE2-CG 4.13Å; Y158-L190 HydrophobicContact CG-CD2 3.64Å; Y158-L190 HydrophobicContact CG-CG 4.22Å; Y158-R191 WeakPolarHBondContact OH-CA 3.4Å; Y158-T194 HydrophobicContact CE1-CG2 4.14Å
159	R	88.5	Confident	90.2	Very high	213 Å²	213	56.4 Å²	56.4	80%	0.804	32%	0.322	S	S	*	.			trans	-110.9	87.4	176.5	-62.4	-62	-174.7	-143.1	0.1	109
160	I	89.4	Confident	90.3	Very high	50 Å²	50	64.5 Å²	64.5	26%	0.256	36%	0.357	S	S	.	.			trans	-108.3	141.5	-177.1	-53	179.9	0	0	0	108.9	I153 A164 L165 L190	I153-I160 HydrophobicContact CG2-CD1 3.81Å; I153-I160 HydrophobicContact CG2-CG1 4.45Å; I160-A164 HydrophobicContact CG2-CB 3.6Å; I160-L165 HydrophobicContact CG2-CB 4.19Å; I160-L190 HydrophobicContact CD1-CD1 3.7Å; I160-L190 HydrophobicContact CD1-CD2 3.97Å; I160-L190 HydrophobicContact CD1-CG 4.49Å
161	S	92.6	Very high	90.5	Very high	66 Å²	66	70.7 Å²	70.7	46%	0.462	38%	0.376	S	S	.	.			trans	-63.9	148.2	175.5	71.4	0	0	0	0	110.9	Q163 A164 L165	S161-Q163 PolarHBondContact O-N 2.94Å; S161-Q163 VanDerWaalsContact O-N 3.13Å; S161-A164 PolarHBondContact O-N 3.37Å; S161-A164 VanDerWaalsContact O-N 3.12Å; S161-A164 WeakPolarHBondContact OG-CB 3.4Å; S161-A164 PolarHBondContact OG-N 3.14Å; S161-L165 WeakPolarHBondContact O-CB 3.31Å; S161-L165 PolarHBondContact O-N 3.36Å
162	P	91.1	Very high	90.6	Very high	101 Å²	101	67.1 Å²	67.1	66%	0.656	36%	0.358	S	S	*	.	H	α-helix	trans	-55	-34.6	179.1	-27.7	35.1	0	0	0	113.5	N166	P162-N166 WeakPolarHBondContact O-CB 3.37Å; P162-N166 VanDerWaalsContact O-CG 3.29Å; P162-N166 PolarHBondContact O-N 2.99Å; P162-N166 PolarHBondContact O-ND2 3.31Å
163	Q	93.1	Very high	90.7	Very high	165 Å²	165	68.6 Å²	68.6	77%	0.771	37%	0.368	S	S	*	.	H	α-helix	trans	-65.2	-48.8	177.5	-176.8	-179.9	-2.3	0	0	112.3	S161 N166 A167	S161-Q163 PolarHBondContact O-N 2.94Å; S161-Q163 VanDerWaalsContact O-N 3.13Å; Q163-N166 PolarHBondContact O-N 3.38Å; Q163-A167 PolarHBondContact O-N 3.04Å
164	A	92.1	Very high	90.7	Very high	42 Å²	42	73.6 Å²	73.6	35%	0.347	39%	0.39	S	S	.	.	H	α-helix	trans	-67.2	-40	179	0	0	0	0	0	111.2	I160 S161 N166 A167 V168	I160-A164 HydrophobicContact CG2-CB 3.6Å; S161-A164 PolarHBondContact O-N 3.37Å; S161-A164 VanDerWaalsContact O-N 3.12Å; S161-A164 WeakPolarHBondContact OG-CB 3.4Å; S161-A164 PolarHBondContact OG-N 3.14Å; A164-N166 PolarHBondContact O-N 3.41Å; A164-A167 WeakPolarHBondContact O-CB 3.38Å; A164-A167 PolarHBondContact O-N 3.43Å; A164-A167 VanDerWaalsContact O-N 3.16Å; A164-V168 WeakPolarHBondContact O-CG2 3.47Å; A164-V168 PolarHBondContact O-N 3.2Å
165	L	91.8	Very high	90.7	Very high	15 Å²	15	76.5 Å²	76.5	8%	0.079	42%	0.417	C	S	.	.	H	α-helix	trans	-61.9	-42.9	177.3	-174.3	60.9	0	0	0	112.1	T150 I153 I160 S161 A167 V168 I169	T150-L165 HydrophobicContact CG2-CD2 3.61Å; I153-L165 HydrophobicContact CB-CD1 4.37Å; I153-L165 HydrophobicContact CD1-CD1 3.41Å; I153-L165 VanDerWaalsContact CD1-CD1 3.41Å; I153-L165 HydrophobicContact CG1-CD1 4.47Å; I153-L165 HydrophobicContact CG2-CD1 4.17Å; I160-L165 HydrophobicContact CG2-CB 4.19Å; S161-L165 WeakPolarHBondContact O-CB 3.31Å; S161-L165 PolarHBondContact O-N 3.36Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-A167 PolarHBondContact O-N 2.91Å; L165-V168 PolarHBondContact O-N 3.14Å; L165-I169 HydrophobicContact CD1-CD1 4.33Å; L165-I169 HydrophobicContact CG-CD1 3.95Å; L165-I169 WeakPolarHBondContact O-CG1 3.36Å; L165-I169 PolarHBondContact O-N 3.1Å
166	N	92.4	Very high	90.7	Very high	92 Å²	92	75.3 Å²	75.3	49%	0.492	41%	0.411	S	S	.	.	H	α-helix	trans	-60.7	-38	174.6	-81.9	-31.3	0	0	0	112.6	P162 Q163 A164 K170	P162-N166 WeakPolarHBondContact O-CB 3.37Å; P162-N166 VanDerWaalsContact O-CG 3.29Å; P162-N166 PolarHBondContact O-N 2.99Å; P162-N166 PolarHBondContact O-ND2 3.31Å; Q163-N166 PolarHBondContact O-N 3.38Å; A164-N166 PolarHBondContact O-N 3.41Å; N166-K170 WeakPolarHBondContact O-CB 3.16Å; N166-K170 WeakPolarHBondContact O-CG 3.48Å; N166-K170 PolarHBondContact O-N 3.36Å
167	A	93.8	Very high	91	Very high	62 Å²	62	79 Å²	79	51%	0.512	42%	0.424	S	S	.	.	H	α-helix	trans	-65.7	-43.5	175.6	0	0	0	0	0	111.5	Q163 A164 L165 K170 R171	Q163-A167 PolarHBondContact O-N 3.04Å; A164-A167 WeakPolarHBondContact O-CB 3.38Å; A164-A167 PolarHBondContact O-N 3.43Å; A164-A167 VanDerWaalsContact O-N 3.16Å; L165-A167 VanDerWaalsContact C-N 3.3Å; L165-A167 PolarHBondContact O-N 2.91Å; A167-K170 PolarHBondContact O-N 3.5Å; A167-R171 WeakPolarHBondContact O-CB 3.32Å; A167-R171 PolarHBondContact O-N 2.87Å
168	V	92.6	Very high	91.2	Very high	40 Å²	40	77.9 Å²	77.9	24%	0.242	41%	0.413	C	S	.	.	H	α-helix	trans	-60.2	-50.8	175.6	172.2	0	0	0	0	110.7	A164 L165 K170 R171 Y172 C186	A164-V168 WeakPolarHBondContact O-CG2 3.47Å; A164-V168 PolarHBondContact O-N 3.2Å; L165-V168 PolarHBondContact O-N 3.14Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.03Å; V168-R171 WeakPolarHBondContact O-CB 3.45Å; V168-R171 PolarHBondContact O-N 2.84Å; V168-Y172 HydrophobicContact CG1-CD2 4.08Å; V168-Y172 HydrophobicContact CG1-CE2 4.2Å; V168-Y172 VanDerWaalsContact O-CD2 3.28Å; V168-Y172 WeakPolarHBondContact O-CD2 3.24Å; V168-Y172 PolarHBondContact O-N 3.1Å; V168-C186 WeakPolarHBondContact CG1-SG 3.37Å
169	I	92.3	Very high	91.3	Very high	9 Å²	9	81.8 Å²	81.8	5%	0.046	43%	0.428	C	S	.	.	H	α-helix	trans	-57.6	-46.8	179.4	-71.4	167.2	0	0	0	111.1	P146 M149 T150 L165 R171 Y172 S173 I178	P146-I169 HydrophobicContact CB-CG2 3.73Å; P146-I169 HydrophobicContact CG-CG2 4.01Å; P146-I169 WeakPolarHBondContact O-CD1 3.46Å; M149-I169 HydrophobicContact CB-CG1 4.27Å; M149-I169 HydrophobicContact CG-CG1 3.99Å; T150-I169 VanDerWaalsContact OG1-CD1 3.31Å; T150-I169 WeakPolarHBondContact OG1-CD1 3.29Å; L165-I169 HydrophobicContact CD1-CD1 4.33Å; L165-I169 HydrophobicContact CG-CD1 3.95Å; L165-I169 WeakPolarHBondContact O-CG1 3.36Å; L165-I169 PolarHBondContact O-N 3.1Å; I169-R171 PolarHBondContact O-N 2.85Å; I169-Y172 PolarHBondContact O-N 3.07Å; I169-S173 WeakPolarHBondContact O-CB 3.28Å; I169-S173 PolarHBondContact O-N 3.4Å; I169-I178 HydrophobicContact CG2-CD1 4.37Å
170	K	92.9	Very high	91.4	Very high	172 Å²	172	71.8 Å²	71.8	75%	0.748	39%	0.39	S	S	*	.	H	α-helix	trans	-62.5	-31.2	177.9	-76	-179.9	178.6	-175.8	0	113	N166 A167 V168	N166-K170 WeakPolarHBondContact O-CB 3.16Å; N166-K170 WeakPolarHBondContact O-CG 3.48Å; N166-K170 PolarHBondContact O-N 3.36Å; A167-K170 PolarHBondContact O-N 3.5Å; V168-K170 VanDerWaalsContact C-N 3.33Å; V168-K170 PolarHBondContact O-N 3.03Å
171	R	92.9	Very high	91.4	Very high	177 Å²	177	70.1 Å²	70.1	67%	0.668	38%	0.382	S	S	*	.	H	α-helix	trans	-70.5	-31.5	179.6	175.7	58.9	-175.9	77.3	1.6	113.1	A167 V168 I169	A167-R171 WeakPolarHBondContact O-CB 3.32Å; A167-R171 PolarHBondContact O-N 2.87Å; V168-R171 WeakPolarHBondContact O-CB 3.45Å; V168-R171 PolarHBondContact O-N 2.84Å; I169-R171 PolarHBondContact O-N 2.85Å
172	Y	91.5	Very high	91.3	Very high	26 Å²	26	67.8 Å²	67.8	10%	0.102	36%	0.364	C	S	.	.	H	α-helix	trans	-106.4	-12.1	-176.5	-68.3	-77.9	0	0	0	113.5	V168 I169 D182 A185 C186	V168-Y172 HydrophobicContact CG1-CD2 4.08Å; V168-Y172 HydrophobicContact CG1-CE2 4.2Å; V168-Y172 VanDerWaalsContact O-CD2 3.28Å; V168-Y172 WeakPolarHBondContact O-CD2 3.24Å; V168-Y172 PolarHBondContact O-N 3.1Å; I169-Y172 PolarHBondContact O-N 3.07Å; Y172-D182 HydrophobicContact CD1-CB 4.15Å; Y172-D182 VanDerWaalsContact CD1-O 3.32Å; Y172-D182 WeakPolarHBondContact CD1-O 3.37Å; Y172-A185 HydrophobicContact CE1-CB 4.05Å; Y172-C186 HydrophobicContact CD1-CB 4.1Å; Y172-C186 HydrophobicContact CD2-CB 3.63Å; Y172-C186 HydrophobicContact CE1-CB 4.04Å; Y172-C186 HydrophobicContact CE2-CB 3.57Å; Y172-C186 HydrophobicContact CG-CB 3.91Å
173	S	92.2	Very high	91.4	Very high	32 Å²	32	63 Å²	63	22%	0.224	33%	0.333	C	S	.	.			trans	-77.4	131	176.5	-175.1	0	0	0	0	111.9	I169 G176 R177	I169-S173 WeakPolarHBondContact O-CB 3.28Å; I169-S173 PolarHBondContact O-N 3.4Å; S173-G176 WeakPolarHBondContact OG-CA 3.47Å; S173-G176 PolarHBondContact OG-N 3.32Å; S173-R177 CarbonylContact C-O 3.6Å; S173-R177 WeakPolarHBondContact CA-O 3.45Å; S173-R177 PolarHBondContact OG-N 2.93Å
174	K	89.4	Confident	91.2	Very high	107 Å²	107	55.1 Å²	55.1	47%	0.465	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-117.6	117.6	171.5	-66.9	171	-174.1	152.4	0	107.8	G176 R177 Y179 D182	K174-G176 PolarHBondContact O-N 3.15Å; K174-R177 PolarHBondContact N-O 3.32Å; K174-R177 PolarHBondContact O-N 3.49Å; K174-Y179 HydrophobicContact CB-CD2 4.42Å; K174-Y179 HydrophobicContact CB-CE2 4.11Å; K174-Y179 HydrophobicContact CD-CD2 4.25Å; K174-Y179 HydrophobicContact CD-CE2 4.44Å; K174-D182 WeakPolarHBondContact CE-OD1 3.44Å; K174-D182 WeakPolarHBondContact CE-OD2 3.34Å; K174-D182 IonicContact NZ-OD1 3.22Å; K174-D182 PolarHBondContact NZ-OD1 3.49Å; K174-D182 IonicContact NZ-OD2 3.41Å; K174-D182 PolarHBondContact NZ-OD2 2.92Å
175	A	87.8	Confident	91.1	Very high	114 Å²	114	53.3 Å²	53.3	94%	0.942	28%	0.281	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.4	35.9	-177.4	0	0	0	0	0	114.5	R177	A175-R177 VanDerWaalsContact C-N 3.32Å
176	G	87.4	Confident	91.2	Very high	41 Å²	41	52.8 Å²	52.8	42%	0.423	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	83.6	2.6	178.9	0	0	0	0	0	114.8	P146 S173 K174	P146-G176 WeakPolarHBondContact CD-O 3.45Å; S173-G176 WeakPolarHBondContact OG-CA 3.47Å; S173-G176 PolarHBondContact OG-N 3.32Å; K174-G176 PolarHBondContact O-N 3.15Å
177	R	90.3	Very high	91.1	Very high	99 Å²	99	48.5 Å²	48.5	37%	0.374	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-123.9	150.3	178.7	-66.5	-174.4	177.5	-74.6	-11.8	110.7	T143 E145 S173 K174 A175	T143-R177 HydrophobicContact CG2-CB 4.04Å; T143-R177 PolarHBondContact OG1-NH1 3.48Å; E145-R177 IonicContact OE1-NH1 3.64Å; E145-R177 IonicContact OE1-NH2 3.81Å; S173-R177 CarbonylContact C-O 3.6Å; S173-R177 WeakPolarHBondContact CA-O 3.45Å; S173-R177 PolarHBondContact OG-N 2.93Å; K174-R177 PolarHBondContact N-O 3.32Å; K174-R177 PolarHBondContact O-N 3.49Å; A175-R177 VanDerWaalsContact C-N 3.32Å
178	I	92.4	Very high	90.9	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.231	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	115.9	176.6	-60.7	163.4	0	0	0	106.9	T143 V144 M149 I169 D182	T143-I178 CarbonylContact C-O 3.56Å; T143-I178 VanDerWaalsContact CA-O 3.22Å; T143-I178 WeakPolarHBondContact CA-O 3.46Å; V144-I178 HydrophobicContact CG2-CB 3.88Å; V144-I178 HydrophobicContact CG2-CG2 4.27Å; V144-I178 PolarHBondContact N-O 3.06Å; V144-I178 PolarHBondContact O-N 3.03Å; M149-I178 HydrophobicContact CB-CD1 3.73Å; M149-I178 HydrophobicContact CG-CD1 3.75Å; M149-I178 HydrophobicContact SD-CD1 4.13Å; I169-I178 HydrophobicContact CG2-CD1 4.37Å; I178-D182 HydrophobicContact CG2-CB 3.99Å
179	Y	91.3	Very high	90.8	Very high	95 Å²	95	46.4 Å²	46.4	37%	0.373	23%	0.232	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.9	159.3	179.3	-68.3	-92	0	0	0	110.9	T143 K174 D181 D182 Y183	T143-Y179 HydrophobicContact CG2-CD1 3.7Å; T143-Y179 HydrophobicContact CG2-CE1 3.73Å; T143-Y179 HydrophobicContact CG2-CG 4.16Å; K174-Y179 HydrophobicContact CB-CD2 4.42Å; K174-Y179 HydrophobicContact CB-CE2 4.11Å; K174-Y179 HydrophobicContact CD-CD2 4.25Å; K174-Y179 HydrophobicContact CD-CE2 4.44Å; Y179-D181 VanDerWaalsContact C-N 3.26Å; Y179-D181 PolarHBondContact O-N 2.89Å; Y179-D182 PolarHBondContact O-N 3.09Å; Y179-D182 VanDerWaalsContact O-N 3.1Å; Y179-Y183 WeakPolarHBondContact O-CB 3.45Å; Y179-Y183 PolarHBondContact O-N 3.33Å
180	F	89.4	Confident	90.7	Very high	3 Å²	3	47.3 Å²	47.3	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-52.5	-42	178.5	-178.3	-117.8	0	0	0	113.4	Y91 F94 K130 F133 G142 Y183 V184	Y91-F180 HydrophobicContact CD2-CB 4.25Å; Y91-F180 AromaticContact CD2-CD1 3.94Å; Y91-F180 HydrophobicContact CD2-CD1 3.94Å; Y91-F180 HydrophobicContact CD2-CD2 4.27Å; Y91-F180 HydrophobicContact CD2-CE1 4.37Å; Y91-F180 AromaticContact CD2-CG 3.89Å; Y91-F180 HydrophobicContact CD2-CG 3.89Å; Y91-F180 HydrophobicContact CG-CB 4.04Å; Y91-F180 HydrophobicContact CG-CD1 4.26Å; Y91-F180 HydrophobicContact CG-CG 4.15Å; F94-F180 HydrophobicContact CE1-CD1 4.22Å; F94-F180 AromaticContact CE1-CE1 3.84Å; F94-F180 HydrophobicContact CE1-CE1 3.84Å; F94-F180 HydrophobicContact CE2-CE1 4.31Å; F94-F180 HydrophobicContact CZ-CD1 4.21Å; F94-F180 AromaticContact CZ-CE1 3.45Å; F94-F180 HydrophobicContact CZ-CE1 3.45Å; F94-F180 VanDerWaalsContact CZ-CE1 3.45Å; F94-F180 HydrophobicContact CZ-CZ 4.09Å; K130-F180 HydrophobicContact CB-CE2 4.38Å; K130-F180 HydrophobicContact CB-CZ 4.16Å; K130-F180 HydrophobicContact CG-CZ 4.26Å; F133-F180 HydrophobicContact CB-CD2 4.1Å; F133-F180 HydrophobicContact CB-CE2 4.05Å; F133-F180 AromaticContact CD1-CD2 3.66Å; F133-F180 HydrophobicContact CD1-CD2 3.66Å; F133-F180 HydrophobicContact CD1-CE2 4.28Å; F133-F180 AromaticContact CD2-CD2 3.86Å; F133-F180 HydrophobicContact CD2-CD2 3.86Å; F133-F180 HydrophobicContact CE1-CB 4.15Å; F133-F180 AromaticContact CE1-CD2 3.98Å; F133-F180 HydrophobicContact CE1-CD2 3.98Å; F133-F180 HydrophobicContact CE1-CG 4.46Å; F133-F180 HydrophobicContact CE2-CB 4.28Å; F133-F180 HydrophobicContact CE2-CD2 4.13Å; F133-F180 AromaticContact CG-CD2 3.59Å; F133-F180 HydrophobicContact CG-CD2 3.59Å; F133-F180 HydrophobicContact CG-CE2 4.07Å; F133-F180 HydrophobicContact CZ-CB 3.92Å; F133-F180 HydrophobicContact CZ-CD2 4.19Å; G142-F180 PolarHBondContact O-N 3.38Å; F180-Y183 PolarHBondContact O-N 3.13Å; F180-V184 HydrophobicContact CD2-CG2 4.1Å; F180-V184 HydrophobicContact CE1-CG2 4.21Å; F180-V184 HydrophobicContact CE2-CG2 3.63Å; F180-V184 HydrophobicContact CZ-CG2 3.7Å; F180-V184 WeakPolarHBondContact O-CG2 3.4Å; F180-V184 PolarHBondContact O-N 3.08Å
181	D	89.9	Confident	90.5	Very high	15 Å²	15	40.9 Å²	40.9	8%	0.08	21%	0.208	C	C	.	.	H	α-helix	trans	-58.4	-50.8	175.9	-175.4	48.3	0	0	0	112	F94 S95 T98 Y179 Y183 V184 A185	F94-D181 WeakPolarHBondContact CA-OD1 3.5Å; F94-D181 WeakPolarHBondContact CD1-OD1 3.24Å; S95-D181 VanDerWaalsContact CB-OD2 3.28Å; S95-D181 WeakPolarHBondContact CB-OD2 3.31Å; S95-D181 PolarHBondContact N-OD1 2.73Å; S95-D181 VanDerWaalsContact N-OD1 3.07Å; S95-D181 PolarHBondContact N-OD2 3.29Å; S95-D181 PolarHBondContact OG-OD2 2.89Å; T98-D181 WeakPolarHBondContact CB-OD1 3.35Å; T98-D181 WeakPolarHBondContact CG2-OD1 3.46Å; T98-D181 VanDerWaalsContact OG1-CG 3.24Å; T98-D181 PolarHBondContact OG1-OD1 3.03Å; T98-D181 PolarHBondContact OG1-OD2 3.21Å; Y179-D181 VanDerWaalsContact C-N 3.26Å; Y179-D181 PolarHBondContact O-N 2.89Å; D181-Y183 VanDerWaalsContact C-N 3.34Å; D181-Y183 PolarHBondContact O-N 3.22Å; D181-V184 PolarHBondContact O-N 3.35Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.44Å
182	D	91.3	Very high	90.3	Very high	16 Å²	16	32.7 Å²	32.7	9%	0.086	18%	0.178	C	C	.	.	H	α-helix	trans	-65.8	-36.3	179.3	-64.7	-63.3	0	0	0	112.1	Y172 K174 I178 Y179 C186	Y172-D182 HydrophobicContact CD1-CB 4.15Å; Y172-D182 VanDerWaalsContact CD1-O 3.32Å; Y172-D182 WeakPolarHBondContact CD1-O 3.37Å; K174-D182 WeakPolarHBondContact CE-OD1 3.44Å; K174-D182 WeakPolarHBondContact CE-OD2 3.34Å; K174-D182 IonicContact NZ-OD1 3.22Å; K174-D182 PolarHBondContact NZ-OD1 3.49Å; K174-D182 IonicContact NZ-OD2 3.41Å; K174-D182 PolarHBondContact NZ-OD2 2.92Å; I178-D182 HydrophobicContact CG2-CB 3.99Å; Y179-D182 PolarHBondContact O-N 3.09Å; Y179-D182 VanDerWaalsContact O-N 3.1Å; D182-C186 WeakPolarHBondContact O-CB 3.47Å; D182-C186 PolarHBondContact O-N 2.86Å
183	Y	91.6	Very high	90.2	Very high	1 Å²	1	34.4 Å²	34.4	0%	0.004	19%	0.188	C	C	.	.	H	α-helix	trans	-62.3	-48.3	175	172.3	-88.7	0	0	0	111.2	W129 N132 F133 V144 M149 S152 Y179 F180 D181 C186 A187	W129-Y183 HydrophobicContact CB-CE1 4.38Å; N132-Y183 PolarHBondContact OD1-OH 3.39Å; F133-Y183 HydrophobicContact CB-CD1 4.15Å; F133-Y183 HydrophobicContact CB-CE1 3.86Å; F133-Y183 AromaticContact CD2-CD1 3.55Å; F133-Y183 HydrophobicContact CD2-CD1 3.55Å; F133-Y183 AromaticContact CD2-CD2 3.85Å; F133-Y183 HydrophobicContact CD2-CD2 3.85Å; F133-Y183 AromaticContact CD2-CE1 3.99Å; F133-Y183 HydrophobicContact CD2-CE1 3.99Å; F133-Y183 HydrophobicContact CD2-CE2 4.28Å; F133-Y183 AromaticContact CD2-CG 3.49Å; F133-Y183 HydrophobicContact CD2-CG 3.49Å; F133-Y183 VanDerWaalsContact CD2-CG 3.49Å; F133-Y183 HydrophobicContact CE2-CD1 4.38Å; F133-Y183 HydrophobicContact CE2-CD2 4.36Å; F133-Y183 AromaticContact CE2-CG 3.97Å; F133-Y183 HydrophobicContact CE2-CG 3.97Å; F133-Y183 HydrophobicContact CG-CD1 4.27Å; F133-Y183 HydrophobicContact CG-CE1 4.42Å; V144-Y183 HydrophobicContact CG2-CD2 4.07Å; M149-Y183 HydrophobicContact CE-CD2 4.07Å; M149-Y183 HydrophobicContact CE-CE2 4.45Å; M149-Y183 HydrophobicContact SD-CD2 3.41Å; M149-Y183 WeakPolarHBondContact SD-CD2 3.32Å; M149-Y183 HydrophobicContact SD-CE2 3.77Å; S152-Y183 WeakPolarHBondContact OG-CE2 3.17Å; S152-Y183 PolarHBondContact OG-OH 2.8Å; Y179-Y183 WeakPolarHBondContact O-CB 3.45Å; Y179-Y183 PolarHBondContact O-N 3.33Å; F180-Y183 PolarHBondContact O-N 3.13Å; D181-Y183 VanDerWaalsContact C-N 3.34Å; D181-Y183 PolarHBondContact O-N 3.22Å; Y183-C186 WeakPolarHBondContact O-CB 3.39Å; Y183-C186 PolarHBondContact O-N 3.44Å; Y183-A187 PolarHBondContact O-N 3.07Å
184	V	90.4	Very high	90.1	Very high	0 Å²	0	34.2 Å²	34.2	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-66.2	-44.1	178.6	174.5	0	0	0	0	110.5	F94 T98 M102 L126 W129 F180 D181 C186 A187 V188	F94-V184 HydrophobicContact CE1-CB 3.85Å; F94-V184 HydrophobicContact CE1-CG1 3.9Å; F94-V184 HydrophobicContact CE1-CG2 3.88Å; F94-V184 HydrophobicContact CZ-CG2 4.36Å; T98-V184 HydrophobicContact CG2-CG1 4.47Å; M102-V184 HydrophobicContact CE-CG1 3.52Å; L126-V184 HydrophobicContact CD2-CG1 3.65Å; W129-V184 HydrophobicContact CE3-CG1 4.23Å; F180-V184 HydrophobicContact CD2-CG2 4.1Å; F180-V184 HydrophobicContact CE1-CG2 4.21Å; F180-V184 HydrophobicContact CE2-CG2 3.63Å; F180-V184 HydrophobicContact CZ-CG2 3.7Å; F180-V184 WeakPolarHBondContact O-CG2 3.4Å; F180-V184 PolarHBondContact O-N 3.08Å; D181-V184 PolarHBondContact O-N 3.35Å; V184-C186 VanDerWaalsContact C-N 3.26Å; V184-C186 PolarHBondContact O-N 2.79Å; V184-A187 PolarHBondContact O-N 3.25Å; V184-A187 VanDerWaalsContact O-N 3.1Å; V184-V188 HydrophobicContact CG1-CG2 3.97Å; V184-V188 WeakPolarHBondContact O-CB 3.23Å; V184-V188 WeakPolarHBondContact O-CG2 3.48Å; V184-V188 PolarHBondContact O-N 3.28Å
185	A	90.4	Very high	90	Very high	4 Å²	4	32 Å²	32	3%	0.033	18%	0.178	C	C	.	.	H	α-helix	trans	-54.9	-44	174.8	0	0	0	0	0	111.7	T98 Y172 D181 K189	T98-A185 HydrophobicContact CG2-CB 3.96Å; Y172-A185 HydrophobicContact CE1-CB 4.05Å; D181-A185 WeakPolarHBondContact O-CB 3.43Å; D181-A185 PolarHBondContact O-N 3.44Å; A185-K189 WeakPolarHBondContact O-CB 3.25Å; A185-K189 PolarHBondContact O-N 2.85Å
186	C	92.2	Very high	90	Very high	4 Å²	4	28 Å²	28	3%	0.027	14%	0.142	C	C	.	.	H	α-helix	trans	-62.9	-45.9	175.4	-176.8	0	0	0	0	112.4	M149 V168 Y172 D182 Y183 V184 K189 L190	M149-C186 HydrophobicContact CE-CB 3.67Å; M149-C186 WeakPolarHBondContact CE-SG 3.31Å; V168-C186 WeakPolarHBondContact CG1-SG 3.37Å; Y172-C186 HydrophobicContact CD1-CB 4.1Å; Y172-C186 HydrophobicContact CD2-CB 3.63Å; Y172-C186 HydrophobicContact CE1-CB 4.04Å; Y172-C186 HydrophobicContact CE2-CB 3.57Å; Y172-C186 HydrophobicContact CG-CB 3.91Å; D182-C186 WeakPolarHBondContact O-CB 3.47Å; D182-C186 PolarHBondContact O-N 2.86Å; Y183-C186 WeakPolarHBondContact O-CB 3.39Å; Y183-C186 PolarHBondContact O-N 3.44Å; V184-C186 VanDerWaalsContact C-N 3.26Å; V184-C186 PolarHBondContact O-N 2.79Å; C186-K189 PolarHBondContact O-N 3.42Å; C186-L190 WeakPolarHBondContact O-CB 3.39Å; C186-L190 PolarHBondContact O-N 2.86Å
187	A	91.1	Very high	90.2	Very high	1 Å²	1	28.8 Å²	28.8	1%	0.008	13%	0.134	C	C	.	.	H	α-helix	trans	-65.4	-41.5	-178.1	0	0	0	0	0	112.2	W129 Y183 V184 R191	W129-A187 HydrophobicContact CD2-CB 4.12Å; W129-A187 HydrophobicContact CG-CB 4.06Å; W129-A187 HydrophobicContact CZ2-CB 4.46Å; Y183-A187 PolarHBondContact O-N 3.07Å; V184-A187 PolarHBondContact O-N 3.25Å; V184-A187 VanDerWaalsContact O-N 3.1Å; A187-R191 WeakPolarHBondContact O-CB 3.3Å; A187-R191 PolarHBondContact O-N 3.38Å
188	V	90	Very high	90.2	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.133	C	C	.	.	H	α-helix	trans	-60.3	-53.7	174.6	173.5	0	0	0	0	110.1	I101 M102 M105 W129 V184 L190 R191 A192	I101-V188 HydrophobicContact CG2-CB 4.35Å; I101-V188 HydrophobicContact CG2-CG1 3.74Å; I101-V188 WeakPolarHBondContact O-CG1 3.21Å; M102-V188 HydrophobicContact CG-CG2 3.97Å; M105-V188 HydrophobicContact CB-CG1 3.67Å; M105-V188 HydrophobicContact CE-CG1 4.47Å; M105-V188 HydrophobicContact CG-CG1 4.19Å; M105-V188 HydrophobicContact SD-CB 4.25Å; M105-V188 HydrophobicContact SD-CG1 3.68Å; W129-V188 HydrophobicContact CE3-CG2 4.12Å; W129-V188 HydrophobicContact CH2-CB 4.17Å; W129-V188 HydrophobicContact CH2-CG2 3.44Å; W129-V188 VanDerWaalsContact CH2-CG2 3.44Å; W129-V188 HydrophobicContact CZ2-CG2 4.33Å; W129-V188 HydrophobicContact CZ3-CB 4.5Å; W129-V188 HydrophobicContact CZ3-CG2 3.34Å; V184-V188 HydrophobicContact CG1-CG2 3.97Å; V184-V188 WeakPolarHBondContact O-CB 3.23Å; V184-V188 WeakPolarHBondContact O-CG2 3.48Å; V184-V188 PolarHBondContact O-N 3.28Å; V188-L190 VanDerWaalsContact C-N 3.32Å; V188-L190 PolarHBondContact O-N 3.03Å; V188-R191 PolarHBondContact O-N 2.89Å; V188-A192 WeakPolarHBondContact O-CB 3.2Å; V188-A192 PolarHBondContact O-N 3.25Å
189	K	90.2	Very high	90	Very high	58 Å²	58	36.5 Å²	36.5	25%	0.252	16%	0.163	S	C	.	.	H	α-helix	trans	-62.7	-39.6	-178.6	-171.6	156.2	-172.8	130.7	0	112.1	I101 A185 C186 L193 I222	I101-K189 HydrophobicContact CG2-CB 4.34Å; A185-K189 WeakPolarHBondContact O-CB 3.25Å; A185-K189 PolarHBondContact O-N 2.85Å; C186-K189 PolarHBondContact O-N 3.42Å; K189-L193 HydrophobicContact CG-CD1 3.97Å; K189-L193 HydrophobicContact CG-CG 4.5Å; K189-L193 WeakPolarHBondContact O-CB 3.47Å; K189-L193 WeakPolarHBondContact O-CG 3.48Å; K189-L193 PolarHBondContact O-N 2.92Å; K189-I222 HydrophobicContact CB-CG2 4.33Å; K189-I222 HydrophobicContact CD-CG2 4.45Å; K189-I222 HydrophobicContact CG-CG2 3.93Å; K189-I222 PolarHBondContact NZ-OXT 2.85Å
190	L	91	Very high	90	Very high	29 Å²	29	36 Å²	36	15%	0.152	16%	0.161	C	C	.	.	H	α-helix	trans	-64.5	-42.4	176.7	-174.3	64	0	0	0	111.7	I153 Y158 I160 C186 V188 T194	I153-L190 HydrophobicContact CG1-CD2 4.44Å; I153-L190 HydrophobicContact CG2-CD2 4.2Å; Y158-L190 HydrophobicContact CD1-CD2 4.01Å; Y158-L190 HydrophobicContact CD1-CG 4.07Å; Y158-L190 HydrophobicContact CD2-CD2 3.4Å; Y158-L190 VanDerWaalsContact CD2-CD2 3.4Å; Y158-L190 HydrophobicContact CD2-CG 4.25Å; Y158-L190 HydrophobicContact CE1-CD2 4.17Å; Y158-L190 HydrophobicContact CE1-CG 3.95Å; Y158-L190 HydrophobicContact CE2-CD2 3.59Å; Y158-L190 HydrophobicContact CE2-CG 4.13Å; Y158-L190 HydrophobicContact CG-CD2 3.64Å; Y158-L190 HydrophobicContact CG-CG 4.22Å; I160-L190 HydrophobicContact CD1-CD1 3.7Å; I160-L190 HydrophobicContact CD1-CD2 3.97Å; I160-L190 HydrophobicContact CD1-CG 4.49Å; C186-L190 WeakPolarHBondContact O-CB 3.39Å; C186-L190 PolarHBondContact O-N 2.86Å; V188-L190 VanDerWaalsContact C-N 3.32Å; V188-L190 PolarHBondContact O-N 3.03Å; L190-T194 VanDerWaalsContact O-CB 3.23Å; L190-T194 WeakPolarHBondContact O-CB 3.32Å; L190-T194 PolarHBondContact O-N 2.9Å; L190-T194 PolarHBondContact O-OG1 2.88Å
191	R	88.4	Confident	90.1	Very high	37 Å²	37	36.2 Å²	36.2	14%	0.14	16%	0.162	C	C	.	.	H	α-helix	trans	-62.3	-51.8	175.8	179.5	175.2	173.7	-166.5	-5.6	111.2	M105 W129 Y158 A187 V188 L193 T194 E195	M105-R191 HydrophobicContact SD-CB 4.14Å; M105-R191 HydrophobicContact SD-CG 4.13Å; W129-R191 HydrophobicContact CZ2-CB 4.29Å; Y158-R191 WeakPolarHBondContact OH-CA 3.4Å; A187-R191 WeakPolarHBondContact O-CB 3.3Å; A187-R191 PolarHBondContact O-N 3.38Å; V188-R191 PolarHBondContact O-N 2.89Å; R191-L193 PolarHBondContact O-N 2.9Å; R191-T194 PolarHBondContact O-N 3.22Å; R191-T194 VanDerWaalsContact O-N 3.17Å; R191-E195 HydrophobicContact CG-CG 4.4Å; R191-E195 WeakPolarHBondContact CG-OE1 3.41Å; R191-E195 IonicContact CZ-OE1 2.72Å; R191-E195 IonicContact NE-OE1 2.6Å; R191-E195 PolarHBondContact NE-OE1 3.07Å; R191-E195 IonicContact NH2-OE1 3.91Å; R191-E195 PolarHBondContact NH2-OE1 3.47Å; R191-E195 WeakPolarHBondContact O-CG 3.24Å; R191-E195 PolarHBondContact O-N 3.48Å
192	A	87.6	Confident	90.1	Very high	5 Å²	5	43.9 Å²	43.9	4%	0.041	20%	0.197	C	C	.	.	H	α-helix	trans	-58	-47.1	-178	0	0	0	0	0	112.6	M105 V188 E195 S196 I222	M105-A192 HydrophobicContact CB-CB 4.05Å; M105-A192 HydrophobicContact CG-CB 3.85Å; V188-A192 WeakPolarHBondContact O-CB 3.2Å; V188-A192 PolarHBondContact O-N 3.25Å; A192-E195 PolarHBondContact O-N 3.22Å; A192-S196 WeakPolarHBondContact O-CB 3.32Å; A192-S196 PolarHBondContact O-N 2.89Å; A192-S196 PolarHBondContact O-OG 3.15Å; A192-I222 HydrophobicContact CB-CD1 3.47Å; A192-I222 VanDerWaalsContact CB-CD1 3.47Å; A192-I222 HydrophobicContact CB-CG1 3.92Å; A192-I222 HydrophobicContact CB-CG2 3.85Å
193	L	90.1	Very high	90.1	Very high	61 Å²	61	50.4 Å²	50.4	32%	0.319	23%	0.229	S	C	.	.	H	α-helix	trans	-67.1	-38.2	177	-69.6	172	0	0	0	111.9	K189 R191 S196 F197 T219 I222	K189-L193 HydrophobicContact CG-CD1 3.97Å; K189-L193 HydrophobicContact CG-CG 4.5Å; K189-L193 WeakPolarHBondContact O-CB 3.47Å; K189-L193 WeakPolarHBondContact O-CG 3.48Å; K189-L193 PolarHBondContact O-N 2.92Å; R191-L193 PolarHBondContact O-N 2.9Å; L193-S196 PolarHBondContact O-N 3.33Å; L193-F197 WeakPolarHBondContact O-CB 3.44Å; L193-F197 PolarHBondContact O-N 3.24Å; L193-T219 HydrophobicContact CD2-CG2 4.28Å; L193-I222 HydrophobicContact CD2-CD1 3.7Å; L193-I222 HydrophobicContact CG-CD1 3.97Å
194	T	90.4	Very high	90	Very high	29 Å²	29	56 Å²	56	18%	0.178	26%	0.255	C	S	.	.	H	α-helix	trans	-66	-44.5	177.4	-60.4	0	0	0	0	111.4	Y3 Y158 L190 R191 S196 F197 R198	Y3-T194 HydrophobicContact CD1-CG2 4.41Å; Y158-T194 HydrophobicContact CE1-CG2 4.14Å; L190-T194 VanDerWaalsContact O-CB 3.23Å; L190-T194 WeakPolarHBondContact O-CB 3.32Å; L190-T194 PolarHBondContact O-N 2.9Å; L190-T194 PolarHBondContact O-OG1 2.88Å; R191-T194 PolarHBondContact O-N 3.22Å; R191-T194 VanDerWaalsContact O-N 3.17Å; T194-S196 VanDerWaalsContact C-N 3.34Å; T194-F197 PolarHBondContact O-N 3.01Å; T194-R198 HydrophobicContact CG2-CG 4.4Å; T194-R198 WeakPolarHBondContact O-CB 3.1Å; T194-R198 VanDerWaalsContact O-CG 3.27Å; T194-R198 WeakPolarHBondContact O-CG 3.36Å; T194-R198 PolarHBondContact O-N 3.4Å
195	E	87.3	Confident	90.1	Very high	61 Å²	61	61.6 Å²	61.6	29%	0.285	28%	0.281	S	S	.	.	H	α-helix	trans	-62.6	-43.2	176.3	-72.8	-176.7	-168.1	0	0	111.1	R191 A192 F197 R198 R199	R191-E195 HydrophobicContact CG-CG 4.4Å; R191-E195 WeakPolarHBondContact CG-OE1 3.41Å; R191-E195 IonicContact CZ-OE1 2.72Å; R191-E195 IonicContact NE-OE1 2.6Å; R191-E195 PolarHBondContact NE-OE1 3.07Å; R191-E195 IonicContact NH2-OE1 3.91Å; R191-E195 PolarHBondContact NH2-OE1 3.47Å; R191-E195 WeakPolarHBondContact O-CG 3.24Å; R191-E195 PolarHBondContact O-N 3.48Å; A192-E195 PolarHBondContact O-N 3.22Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 PolarHBondContact O-N 3.46Å; E195-R198 PolarHBondContact O-N 2.87Å; E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 3.18Å
196	S	88.1	Confident	90.1	Very high	28 Å²	28	62.9 Å²	62.9	20%	0.196	30%	0.295	C	S	.	.	H	α-helix	trans	-63.3	-38.4	176.9	-62	0	0	0	0	113.1	A192 L193 T194 R200 C218	A192-S196 WeakPolarHBondContact O-CB 3.32Å; A192-S196 PolarHBondContact O-N 2.89Å; A192-S196 PolarHBondContact O-OG 3.15Å; L193-S196 PolarHBondContact O-N 3.33Å; T194-S196 VanDerWaalsContact C-N 3.34Å; S196-R200 PolarHBondContact O-NH1 2.9Å; S196-C218 WeakPolarHBondContact CB-SG 3.43Å
197	F	91.1	Very high	90	Very high	58 Å²	58	65.1 Å²	65.1	25%	0.254	31%	0.314	S	S	.	.	H	α-helix	trans	-64.3	-49.6	172.3	-171.4	-74.2	0	0	0	111	Y3 L193 T194 E195 R199 R200 D201 V208	Y3-F197 HydrophobicContact CE1-CD1 4.22Å; Y3-F197 AromaticContact CZ-CD1 3.99Å; Y3-F197 AromaticContact CZ-CE1 3.98Å; Y3-F197 WeakPolarHBondContact OH-CD1 3.2Å; Y3-F197 WeakPolarHBondContact OH-CE1 3.36Å; L193-F197 WeakPolarHBondContact O-CB 3.44Å; L193-F197 PolarHBondContact O-N 3.24Å; T194-F197 PolarHBondContact O-N 3.01Å; E195-F197 VanDerWaalsContact C-N 3.34Å; E195-F197 PolarHBondContact O-N 3.46Å; F197-R199 VanDerWaalsContact C-N 3.33Å; F197-R199 PolarHBondContact O-N 3.5Å; F197-R200 CarbonylContact O-C 3.59Å; F197-R200 PolarHBondContact O-N 2.88Å; F197-D201 HydrophobicContact CD1-CB 4.05Å; F197-D201 HydrophobicContact CE1-CB 3.81Å; F197-D201 PolarHBondContact O-N 3.3Å; F197-V208 HydrophobicContact CD1-CG1 4.18Å; F197-V208 HydrophobicContact CD2-CG2 3.79Å; F197-V208 HydrophobicContact CE1-CG1 3.78Å; F197-V208 HydrophobicContact CE1-CG2 4.41Å; F197-V208 HydrophobicContact CE2-CG1 4.36Å; F197-V208 HydrophobicContact CE2-CG2 3.5Å; F197-V208 HydrophobicContact CG-CG2 4.42Å; F197-V208 HydrophobicContact CZ-CB 4.4Å; F197-V208 HydrophobicContact CZ-CG1 3.91Å; F197-V208 HydrophobicContact CZ-CG2 3.84Å
198	R	89.7	Confident	90.1	Very high	92 Å²	92	66.6 Å²	66.6	35%	0.347	32%	0.323	S	S	.	.	H	α-helix	trans	-63.3	-35.8	-177.4	-75.3	-179.1	75.4	169.7	9.5	113.3	Y3 P4 T194 E195 R200 D201	Y3-R198 VanDerWaalsContact CB-NE 3.33Å; Y3-R198 HydrophobicContact CD1-CG 3.59Å; Y3-R198 HydrophobicContact CD2-CG 3.97Å; Y3-R198 HydrophobicContact CE1-CG 3.88Å; Y3-R198 HydrophobicContact CE2-CG 4.24Å; Y3-R198 HydrophobicContact CG-CG 3.66Å; P4-R198 PolarHBondContact O-NH1 3.08Å; T194-R198 HydrophobicContact CG2-CG 4.4Å; T194-R198 WeakPolarHBondContact O-CB 3.1Å; T194-R198 VanDerWaalsContact O-CG 3.27Å; T194-R198 WeakPolarHBondContact O-CG 3.36Å; T194-R198 PolarHBondContact O-N 3.4Å; E195-R198 PolarHBondContact O-N 2.87Å; R198-R200 PolarHBondContact O-N 2.8Å; R198-D201 PolarHBondContact O-N 2.65Å
199	R	88.6	Confident	90.2	Very high	170 Å²	170	74.4 Å²	74.4	64%	0.642	37%	0.365	S	S	*	.	H	α-helix	trans	-59.5	-29.9	174	-75.7	-179.7	-176.4	-149.1	5.7	112.1	E195 F197	E195-R199 WeakPolarHBondContact O-CG 3.36Å; E195-R199 PolarHBondContact O-N 3.18Å; F197-R199 VanDerWaalsContact C-N 3.33Å; F197-R199 PolarHBondContact O-N 3.5Å
200	R	90.4	Very high	90.3	Very high	85 Å²	85	74.9 Å²	74.9	32%	0.321	37%	0.367	S	S	.	.	H	α-helix	trans	-91.7	-30.6	178.9	-68.8	170.6	177.4	73.4	-0.6	112.8	S196 F197 R198 Q202 V208 D214	S196-R200 PolarHBondContact O-NH1 2.9Å; F197-R200 CarbonylContact O-C 3.59Å; F197-R200 PolarHBondContact O-N 2.88Å; R198-R200 PolarHBondContact O-N 2.8Å; R200-Q202 PolarHBondContact O-N 3.18Å; R200-V208 HydrophobicContact CB-CB 4.23Å; R200-V208 HydrophobicContact CB-CG1 3.9Å; R200-D214 IonicContact CZ-OD1 2.71Å; R200-D214 IonicContact CZ-OD2 3.33Å; R200-D214 IonicContact NE-OD1 3.52Å; R200-D214 IonicContact NE-OD2 2.81Å; R200-D214 PolarHBondContact NE-OD2 3.38Å; R200-D214 VanDerWaalsContact NH2-CG 3.32Å; R200-D214 IonicContact NH2-OD1 2.8Å; R200-D214 PolarHBondContact NH2-OD1 2.84Å; R200-D214 IonicContact NH2-OD2 3.83Å; R200-D214 PolarHBondContact NH2-OD2 3.25Å
201	D	93.1	Very high	90.5	Very high	6 Å²	6	80.8 Å²	80.8	3%	0.032	39%	0.394	C	S	.	.			trans	-80.1	63.4	176.5	-168.5	12.3	0	0	0	112.4	Y3 F197 R198 M203 Q204 Q205 G206 V208	Y3-D201 WeakPolarHBondContact CE2-OD2 3.23Å; Y3-D201 PolarHBondContact OH-OD2 2.89Å; Y3-D201 VanDerWaalsContact OH-OD2 3.05Å; F197-D201 HydrophobicContact CD1-CB 4.05Å; F197-D201 HydrophobicContact CE1-CB 3.81Å; F197-D201 PolarHBondContact O-N 3.3Å; R198-D201 PolarHBondContact O-N 2.65Å; D201-M203 PolarHBondContact O-N 2.91Å; D201-M203 VanDerWaalsContact O-N 3.16Å; D201-Q204 PolarHBondContact O-N 3.25Å; D201-Q204 WeakPolarHBondContact OD1-CA 3.22Å; D201-Q204 PolarHBondContact OD1-N 3.21Å; D201-Q204 VanDerWaalsContact OD2-C 3.32Å; D201-Q204 VanDerWaalsContact OD2-CA 3.27Å; D201-Q204 WeakPolarHBondContact OD2-CA 3.29Å; D201-Q205 PolarHBondContact OD1-N 3.24Å; D201-Q205 PolarHBondContact OD2-N 2.92Å; D201-Q205 VanDerWaalsContact OD2-N 3.16Å; D201-G206 WeakPolarHBondContact OD2-CA 3.46Å; D201-G206 PolarHBondContact OD2-N 3.44Å; D201-V208 HydrophobicContact CB-CG1 3.53Å
202	Q	89.4	Confident	90.7	Very high	176 Å²	176	87 Å²	87	82%	0.822	42%	0.418	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-26.9	-179.9	-63.6	-168	-13.4	0	0	112.8	R200	R200-Q202 PolarHBondContact O-N 3.18Å
203	M	91.1	Very high	91	Very high	153 Å²	153	92.8 Å²	92.8	75%	0.754	45%	0.448	S	S	*	.	T	Hydrogen-bonded Turn	trans	-89.3	-4.5	179.6	-64	-178.2	66.1	0	0	113.6	D201 Q205	D201-M203 PolarHBondContact O-N 2.91Å; D201-M203 VanDerWaalsContact O-N 3.16Å; M203-Q205 HydrophobicContact CB-CG 4.37Å; M203-Q205 PolarHBondContact O-N 3.27Å; M203-Q205 VanDerWaalsContact O-N 3.15Å
204	Q	89.6	Confident	90.9	Very high	119 Å²	119	92.1 Å²	92.1	56%	0.556	45%	0.445	S	S	*	.			trans	52.6	31.8	-178.4	-56.1	-176.7	19.6	0	0	114.1	M1 D201 G206	M1-Q204 PolarHBondContact N-O 3.13Å; D201-Q204 PolarHBondContact O-N 3.25Å; D201-Q204 WeakPolarHBondContact OD1-CA 3.22Å; D201-Q204 PolarHBondContact OD1-N 3.21Å; D201-Q204 VanDerWaalsContact OD2-C 3.32Å; D201-Q204 VanDerWaalsContact OD2-CA 3.27Å; D201-Q204 WeakPolarHBondContact OD2-CA 3.29Å; Q204-G206 VanDerWaalsContact C-N 3.33Å
205	Q	92.1	Very high	91	Very high	117 Å²	117	95.2 Å²	95.2	55%	0.547	46%	0.456	S	S	.	.	S	Bend	trans	-84.9	-10.3	-175.8	64.1	-177.5	10.6	0	0	112.3	D201 M203 A207	D201-Q205 PolarHBondContact OD1-N 3.24Å; D201-Q205 PolarHBondContact OD2-N 2.92Å; D201-Q205 VanDerWaalsContact OD2-N 3.16Å; M203-Q205 HydrophobicContact CB-CG 4.37Å; M203-Q205 PolarHBondContact O-N 3.27Å; M203-Q205 VanDerWaalsContact O-N 3.15Å; Q205-A207 HydrophobicContact CG-CB 4.33Å; Q205-A207 PolarHBondContact NE2-O 2.82Å
206	G	90.1	Very high	91.2	Very high	31 Å²	31	95.3 Å²	95.3	32%	0.32	46%	0.458	S	S	.	.	S	Bend	trans	85.3	13.2	-177.2	0	0	0	0	0	113.8	Y3 D201 Q204	Y3-G206 WeakPolarHBondContact OH-CA 3.42Å; D201-G206 WeakPolarHBondContact OD2-CA 3.46Å; D201-G206 PolarHBondContact OD2-N 3.44Å; Q204-G206 VanDerWaalsContact C-N 3.33Å
207	A	91.2	Very high	91.1	Very high	52 Å²	52	98.6 Å²	98.6	43%	0.43	47%	0.473	S	S	.	.			trans	-146.6	136.1	-177.6	0	0	0	0	0	111.1	Q205	Q205-A207 HydrophobicContact CG-CB 4.33Å; Q205-A207 PolarHBondContact NE2-O 2.82Å
208	V	92.8	Very high	90.8	Very high	31 Å²	31	96.5 Å²	96.5	19%	0.188	47%	0.465	C	S	.	.			trans	-133.2	149.5	179.5	-61.7	0	0	0	0	110.2	F197 R200 D201 F210	F197-V208 HydrophobicContact CD1-CG1 4.18Å; F197-V208 HydrophobicContact CD2-CG2 3.79Å; F197-V208 HydrophobicContact CE1-CG1 3.78Å; F197-V208 HydrophobicContact CE1-CG2 4.41Å; F197-V208 HydrophobicContact CE2-CG1 4.36Å; F197-V208 HydrophobicContact CE2-CG2 3.5Å; F197-V208 HydrophobicContact CG-CG2 4.42Å; F197-V208 HydrophobicContact CZ-CB 4.4Å; F197-V208 HydrophobicContact CZ-CG1 3.91Å; F197-V208 HydrophobicContact CZ-CG2 3.84Å; R200-V208 HydrophobicContact CB-CB 4.23Å; R200-V208 HydrophobicContact CB-CG1 3.9Å; D201-V208 HydrophobicContact CB-CG1 3.53Å; V208-F210 HydrophobicContact CB-CE2 4.49Å; V208-F210 HydrophobicContact CG2-CD2 3.68Å; V208-F210 HydrophobicContact CG2-CE2 3.23Å; V208-F210 HydrophobicContact CG2-CZ 4.06Å
209	N	92.3	Very high	90.7	Very high	165 Å²	165	93.9 Å²	93.9	88%	0.882	46%	0.46	S	S	*	.			trans	-94.8	129	168.8	-84.9	-14	0	0	0	109.4
210	F	92.3	Very high	90.6	Very high	68 Å²	68	92.7 Å²	92.7	30%	0.298	46%	0.463	S	S	.	.			trans	-107.8	136.1	172.3	-80	-84.2	0	0	0	110.6	V208 F215 C218	V208-F210 HydrophobicContact CB-CE2 4.49Å; V208-F210 HydrophobicContact CG2-CD2 3.68Å; V208-F210 HydrophobicContact CG2-CE2 3.23Å; V208-F210 HydrophobicContact CG2-CZ 4.06Å; F210-F215 HydrophobicContact CB-CB 3.97Å; F210-F215 HydrophobicContact CD1-CB 4.23Å; F210-F215 HydrophobicContact CG-CB 4.25Å; F210-F215 HydrophobicContact CG-CD2 4.48Å; F210-C218 HydrophobicContact CE1-CB 4.2Å
211	Q	94.8	Very high	90.1	Very high	153 Å²	153	91.5 Å²	91.5	72%	0.715	47%	0.471	S	S	*	.			trans	-72.4	151	156.7	-66.6	-62.1	-36.7	0	0	108.8	D213 D214 F215	Q211-D213 PolarHBondContact O-N 3.02Å; Q211-D214 HydrophobicContact CB-CB 4.16Å; Q211-D214 PolarHBondContact O-N 2.72Å; Q211-F215 PolarHBondContact O-N 3.31Å
212	Y	92.9	Very high	89.2	Confident	168 Å²	168	92.5 Å²	92.5	66%	0.659	48%	0.476	S	S	*	.	H	α-helix	trans	-56.9	-49.8	-176.1	176.4	-104.7	0	0	0	112.2	D214 F215 I216	Y212-D214 VanDerWaalsContact C-N 3.3Å; Y212-D214 PolarHBondContact O-N 2.9Å; Y212-F215 WeakPolarHBondContact O-CB 3.06Å; Y212-F215 PolarHBondContact O-N 3.42Å; Y212-F215 VanDerWaalsContact O-N 3.16Å; Y212-I216 HydrophobicContact CD1-CG1 4.39Å; Y212-I216 HydrophobicContact CD2-CG1 4.41Å; Y212-I216 HydrophobicContact CE1-CG1 3.95Å; Y212-I216 HydrophobicContact CE2-CD1 4Å; Y212-I216 HydrophobicContact CE2-CG1 3.97Å; Y212-I216 WeakPolarHBondContact O-CG1 3.41Å; Y212-I216 PolarHBondContact O-N 3.48Å
213	D	93.1	Very high	89.2	Confident	125 Å²	125	88.3 Å²	88.3	67%	0.668	46%	0.459	S	S	*	.	H	α-helix	trans	-63.6	-37.6	-179.6	-62.8	-20.2	0	0	0	112.1	Q211 F215 I216 L217	Q211-D213 PolarHBondContact O-N 3.02Å; D213-F215 VanDerWaalsContact C-N 3.35Å; D213-I216 PolarHBondContact O-N 3.11Å; D213-L217 WeakPolarHBondContact O-CB 3.49Å; D213-L217 PolarHBondContact O-N 3.36Å
214	D	89.1	Confident	89.1	Confident	48 Å²	48	84.9 Å²	84.9	26%	0.257	44%	0.444	S	S	.	.	H	α-helix	trans	-67	-37	176.8	-171.6	44.1	0	0	0	111.8	R200 Q211 Y212 C218	R200-D214 IonicContact CZ-OD1 2.71Å; R200-D214 IonicContact CZ-OD2 3.33Å; R200-D214 IonicContact NE-OD1 3.52Å; R200-D214 IonicContact NE-OD2 2.81Å; R200-D214 PolarHBondContact NE-OD2 3.38Å; R200-D214 VanDerWaalsContact NH2-CG 3.32Å; R200-D214 IonicContact NH2-OD1 2.8Å; R200-D214 PolarHBondContact NH2-OD1 2.84Å; R200-D214 IonicContact NH2-OD2 3.83Å; R200-D214 PolarHBondContact NH2-OD2 3.25Å; Q211-D214 HydrophobicContact CB-CB 4.16Å; Q211-D214 PolarHBondContact O-N 2.72Å; Y212-D214 VanDerWaalsContact C-N 3.3Å; Y212-D214 PolarHBondContact O-N 2.9Å; D214-C218 WeakPolarHBondContact O-CB 3.3Å; D214-C218 PolarHBondContact O-N 3.12Å
215	F	91.1	Very high	89.1	Confident	94 Å²	94	83 Å²	83	41%	0.412	44%	0.437	S	S	.	.	H	α-helix	trans	-64.4	-45.9	172.7	173.7	-100.7	0	0	0	111.6	F210 Q211 Y212 D213 C218 T219	F210-F215 HydrophobicContact CB-CB 3.97Å; F210-F215 HydrophobicContact CD1-CB 4.23Å; F210-F215 HydrophobicContact CG-CB 4.25Å; F210-F215 HydrophobicContact CG-CD2 4.48Å; Q211-F215 PolarHBondContact O-N 3.31Å; Y212-F215 WeakPolarHBondContact O-CB 3.06Å; Y212-F215 PolarHBondContact O-N 3.42Å; Y212-F215 VanDerWaalsContact O-N 3.16Å; D213-F215 VanDerWaalsContact C-N 3.35Å; F215-C218 PolarHBondContact O-N 2.73Å; F215-T219 HydrophobicContact CD2-CG2 3.96Å; F215-T219 HydrophobicContact CE1-CG2 4.44Å; F215-T219 HydrophobicContact CE2-CG2 3.59Å; F215-T219 HydrophobicContact CZ-CG2 3.86Å; F215-T219 WeakPolarHBondContact O-CB 3.17Å; F215-T219 WeakPolarHBondContact O-CG2 3.25Å; F215-T219 PolarHBondContact O-N 3.04Å; F215-T219 PolarHBondContact O-OG1 3.15Å
216	I	92.4	Very high	88.9	Confident	62 Å²	62	81 Å²	81	32%	0.318	43%	0.431	S	S	.	.	H	α-helix	trans	-62.6	-48.7	178.4	-65.2	-61	0	0	0	110.1	Y212 D213 C218 T219 M220	Y212-I216 HydrophobicContact CD1-CG1 4.39Å; Y212-I216 HydrophobicContact CD2-CG1 4.41Å; Y212-I216 HydrophobicContact CE1-CG1 3.95Å; Y212-I216 HydrophobicContact CE2-CD1 4Å; Y212-I216 HydrophobicContact CE2-CG1 3.97Å; Y212-I216 WeakPolarHBondContact O-CG1 3.41Å; Y212-I216 PolarHBondContact O-N 3.48Å; D213-I216 PolarHBondContact O-N 3.11Å; I216-C218 VanDerWaalsContact C-N 3.34Å; I216-C218 PolarHBondContact O-N 3.28Å; I216-T219 PolarHBondContact O-N 3.11Å; I216-T219 PolarHBondContact O-OG1 3.35Å; I216-M220 HydrophobicContact CG2-CG 4.02Å; I216-M220 WeakPolarHBondContact O-CB 3.23Å; I216-M220 WeakPolarHBondContact O-CG 3.45Å; I216-M220 PolarHBondContact O-N 3.41Å
217	L	86.1	Confident	88.8	Confident	97 Å²	97	84.1 Å²	84.1	51%	0.508	44%	0.438	S	S	.	.	H	α-helix	trans	-57.1	-48.6	176.8	-178	65.2	0	0	0	111	D213 T219 A221	D213-L217 WeakPolarHBondContact O-CB 3.49Å; D213-L217 PolarHBondContact O-N 3.36Å; L217-T219 VanDerWaalsContact C-N 3.31Å; L217-T219 PolarHBondContact O-N 3.24Å; L217-A221 WeakPolarHBondContact O-CB 3.26Å; L217-A221 PolarHBondContact O-N 2.77Å; L217-A221 VanDerWaalsContact O-N 3.13Å
218	C	85.3	Confident	88.7	Confident	14 Å²	14	86.3 Å²	86.3	10%	0.095	44%	0.438	C	S	.	.	H	α-helix	trans	-63.8	-32.8	-178.8	-177.1	0	0	0	0	113.6	S196 F210 D214 F215 I216 I222	S196-C218 WeakPolarHBondContact CB-SG 3.43Å; F210-C218 HydrophobicContact CE1-CB 4.2Å; D214-C218 WeakPolarHBondContact O-CB 3.3Å; D214-C218 PolarHBondContact O-N 3.12Å; F215-C218 PolarHBondContact O-N 2.73Å; I216-C218 VanDerWaalsContact C-N 3.34Å; I216-C218 PolarHBondContact O-N 3.28Å; C218-I222 WeakPolarHBondContact O-CD1 3.46Å
219	T	86.9	Confident	88.4	Confident	37 Å²	37	90.2 Å²	90.2	23%	0.227	46%	0.456	C	S	.	.	H	α-helix	trans	-98.6	-26.4	-172.9	54.8	0	0	0	0	114.2	L193 F215 I216 L217	L193-T219 HydrophobicContact CD2-CG2 4.28Å; F215-T219 HydrophobicContact CD2-CG2 3.96Å; F215-T219 HydrophobicContact CE1-CG2 4.44Å; F215-T219 HydrophobicContact CE2-CG2 3.59Å; F215-T219 HydrophobicContact CZ-CG2 3.86Å; F215-T219 WeakPolarHBondContact O-CB 3.17Å; F215-T219 WeakPolarHBondContact O-CG2 3.25Å; F215-T219 PolarHBondContact O-N 3.04Å; F215-T219 PolarHBondContact O-OG1 3.15Å; I216-T219 PolarHBondContact O-N 3.11Å; I216-T219 PolarHBondContact O-OG1 3.35Å; L217-T219 VanDerWaalsContact C-N 3.31Å; L217-T219 PolarHBondContact O-N 3.24Å
220	M	86.8	Confident	88.1	Confident	145 Å²	145	84.5 Å²	84.5	71%	0.714	42%	0.423	S	S	*	.	H	α-helix	trans	-97.5	-21	-178	-61.8	-63.2	-65.3	0	0	113.2	I216 I222	I216-M220 HydrophobicContact CG2-CG 4.02Å; I216-M220 WeakPolarHBondContact O-CB 3.23Å; I216-M220 WeakPolarHBondContact O-CG 3.45Å; I216-M220 PolarHBondContact O-N 3.41Å; M220-I222 PolarHBondContact O-N 3.12Å
221	A	78.8	Confident	87.7	Confident	60 Å²	60	85.8 Å²	85.8	50%	0.496	43%	0.434	S	S	.	.			trans	-67.3	-21.3	172.4	0	0	0	0	0	112.4	A104 L217	A104-A221 WeakPolarHBondContact CB-O 3.27Å; L217-A221 WeakPolarHBondContact O-CB 3.26Å; L217-A221 PolarHBondContact O-N 2.77Å; L217-A221 VanDerWaalsContact O-N 3.13Å
222	I	75.6	Confident	87.1	Confident	27 Å²	27	79.7 Å²	79.7	14%	0.138	41%	0.408	C	S	.	.			trans	-103.8	0	-180	-52.6	160.5	0	0	0	111.2	I101 K189 A192 L193 C218 M220	I101-I222 HydrophobicContact CG2-CG2 4.11Å; K189-I222 HydrophobicContact CB-CG2 4.33Å; K189-I222 HydrophobicContact CD-CG2 4.45Å; K189-I222 HydrophobicContact CG-CG2 3.93Å; K189-I222 PolarHBondContact NZ-OXT 2.85Å; A192-I222 HydrophobicContact CB-CD1 3.47Å; A192-I222 VanDerWaalsContact CB-CD1 3.47Å; A192-I222 HydrophobicContact CB-CG1 3.92Å; A192-I222 HydrophobicContact CB-CG2 3.85Å; L193-I222 HydrophobicContact CD2-CD1 3.7Å; L193-I222 HydrophobicContact CG-CD1 3.97Å; C218-I222 WeakPolarHBondContact O-CD1 3.46Å; M220-I222 PolarHBondContact O-N 3.12Å

Retrieved 222 of 222 residues in 87.3 ms (Link to these results)

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