A0A087XRW8_POEFO Loading...

Grancalcin

AlphaFold DB , UniProt , Accession A0A087XRW8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 242 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	42.4	Very low	41.7	Very low	188 Å²	188	87.3 Å²	87.3	93%	0.926	57%	0.567	S	S	*	*				0	104.9	0	-142.6	163	-171.5	0	0	105.6	Y3 Q224	M1-Y3 PolarHBondContact O-N 3.17Å; M1-Q224 PolarHBondContact N-O 3.25Å
2	A	40.2	Very low	41	Very low	82 Å²	82	90.6 Å²	90.6	68%	0.678	59%	0.588	S	S	*	*			trans	-70.4	117.9	-170.6	0	0	0	0	0	109.9	P4	A2-P4 WeakPolarHBondContact O-CD 3.43Å
3	Y	47.5	Very low	40.9	Very low	47 Å²	47	97.6 Å²	97.6	18%	0.184	61%	0.612	C	S	.	*			trans	-62.4	112.6	176.1	-60.5	-86.9	0	0	0	110.2	M1 F217 R218 D221 G226	M1-Y3 PolarHBondContact O-N 3.17Å; Y3-F217 AromaticContact CE1-CD1 3.51Å; Y3-F217 HydrophobicContact CE1-CD1 3.51Å; Y3-F217 AromaticContact CE1-CE1 3.66Å; Y3-F217 HydrophobicContact CE1-CE1 3.66Å; Y3-F217 AromaticContact CZ-CD1 3.66Å; Y3-F217 AromaticContact CZ-CE1 3.66Å; Y3-F217 VanDerWaalsContact OH-CD1 3.26Å; Y3-F217 WeakPolarHBondContact OH-CD1 3.41Å; Y3-F217 WeakPolarHBondContact OH-CE1 3.16Å; Y3-R218 HydrophobicContact CD1-CG 3.92Å; Y3-R218 HydrophobicContact CD2-CG 3.69Å; Y3-R218 HydrophobicContact CE1-CG 4.32Å; Y3-R218 HydrophobicContact CE2-CG 4.11Å; Y3-R218 HydrophobicContact CG-CG 3.59Å; Y3-D221 HydrophobicContact CE2-CB 4.3Å; Y3-D221 VanDerWaalsContact CE2-OD2 3.28Å; Y3-D221 WeakPolarHBondContact CE2-OD2 3.4Å; Y3-D221 PolarHBondContact OH-OD2 3.15Å; Y3-G226 WeakPolarHBondContact OH-CA 3.28Å
4	P	50.6	Low	40.7	Very low	57 Å²	57	100.6 Å²	100.6	37%	0.37	63%	0.633	S	S	.	*			trans	-85.4	134.5	172.4	3	18.8	0	0	0	108.4	A2 G177 R179	A2-P4 WeakPolarHBondContact O-CD 3.43Å; P4-G177 VanDerWaalsContact CB-O 3.24Å; P4-G177 WeakPolarHBondContact CB-O 3.19Å; P4-G177 WeakPolarHBondContact CG-O 3.45Å; P4-R179 HydrophobicContact CG-CG 4.18Å
5	G	46.6	Very low	40.7	Very low	30 Å²	30	98.8 Å²	98.8	31%	0.309	64%	0.641	S	S	.	*			trans	178.1	5.7	178	0	0	0	0	0	114.9
6	Y	40.8	Very low	40.7	Very low	181 Å²	181	104.1 Å²	104.1	71%	0.71	66%	0.658	S	S	*	*			trans	-141.7	93.5	177.2	-148.5	-97.5	0	0	0	110.5
7	G	37.6	Very low	40.4	Very low	61 Å²	61	105.4 Å²	105.4	63%	0.629	67%	0.667	S	S	*	*			trans	-97.8	115.8	148.7	0	0	0	0	0	106	Y9	G7-Y9 PolarHBondContact O-N 3.07Å
8	G	37.5	Very low	40.2	Very low	53 Å²	53	110.5 Å²	110.5	55%	0.546	68%	0.681	S	S	.	*			trans	-52.8	124.2	-171.9	0	0	0	0	0	112.4	G10	G8-G10 PolarHBondContact O-N 3Å
9	Y	43.6	Very low	40.1	Very low	127 Å²	127	114.8 Å²	114.8	50%	0.498	69%	0.693	S	S	.	*	S	Bend	trans	-71.8	71.2	165.3	-47.4	-87.2	0	0	0	108.1	G7	G7-Y9 PolarHBondContact O-N 3.07Å
10	G	36.3	Very low	39.8	Very low	68 Å²	68	112.8 Å²	112.8	70%	0.701	70%	0.696	S	S	*	*			trans	-145	44.4	-174.4	0	0	0	0	0	110.6	G8	G8-G10 PolarHBondContact O-N 3Å
11	G	35.1	Very low	39.7	Very low	66 Å²	66	116.3 Å²	116.3	68%	0.68	71%	0.707	S	S	*	*	P	Polyproline II helix	trans	-84.4	135.6	163	0	0	0	0	0	109.1	M13	G11-M13 PolarHBondContact O-N 3.18Å
12	P	33.6	Very low	39.6	Very low	127 Å²	127	113.5 Å²	113.5	83%	0.825	70%	0.703	S	S	*	*	P	Polyproline II helix	trans	-60.6	136.4	176.3	24.1	-31.1	0	0	0	110.3
13	M	40.4	Very low	39.3	Very low	182 Å²	182	113.3 Å²	113.3	90%	0.897	71%	0.709	S	S	*	*	P	Polyproline II helix	trans	-53.8	132.7	174.2	-72.7	-176	-171.5	0	0	110.5	G11 G15	G11-M13 PolarHBondContact O-N 3.18Å; M13-G15 PolarHBondContact O-N 2.51Å
14	P	37.7	Very low	38.8	Very low	139 Å²	139	114.8 Å²	114.8	90%	0.903	74%	0.739	S	S	*	*	T	Hydrogen-bonded Turn	trans	-76.8	113.9	170.2	18.3	-10	0	0	0	109.2
15	G	41.2	Very low	38.6	Very low	74 Å²	74	118.3 Å²	118.3	76%	0.763	76%	0.762	S	S	*	*	T	Hydrogen-bonded Turn	trans	161.5	-2.1	171.4	0	0	0	0	0	119.7	M13	M13-G15 PolarHBondContact O-N 2.51Å
16	M	39.7	Very low	38.4	Very low	184 Å²	184	126.4 Å²	126.4	91%	0.906	79%	0.794	S	S	*	*			trans	-106.9	128.7	178.1	-84	-176.1	158.4	0	0	112.5	Q18	M16-Q18 PolarHBondContact O-N 3.09Å
17	P	35.4	Very low	38.1	Very low	126 Å²	126	121.5 Å²	121.5	82%	0.818	80%	0.798	S	S	*	*			trans	-70.7	123.7	176.1	26.9	-30.1	0	0	0	110.6	Q19	P17-Q19 PolarHBondContact O-N 2.88Å
18	Q	38.1	Very low	37.9	Very low	197 Å²	197	122.4 Å²	122.4	92%	0.921	81%	0.807	S	S	*	*			trans	-77.1	105	179.2	-160.1	176.4	14.8	0	0	109.4	M16 G20	M16-Q18 PolarHBondContact O-N 3.09Å; Q18-G20 PolarHBondContact O-N 3.02Å
19	Q	37.8	Very low	38.9	Very low	193 Å²	193	126 Å²	126	90%	0.902	82%	0.821	S	S	*	*			trans	-70.3	115	168.2	-96.9	178.7	-1.1	0	0	109.2	P17	P17-Q19 PolarHBondContact O-N 2.88Å
20	G	34.5	Very low	38.6	Very low	74 Å²	74	128.5 Å²	128.5	76%	0.763	84%	0.839	S	S	*	*	P	Polyproline II helix	trans	-72.8	129.2	177.7	0	0	0	0	0	112.3	Q18	Q18-G20 PolarHBondContact O-N 3.02Å
21	M	37.8	Very low	39.6	Very low	187 Å²	187	130.7 Å²	130.7	92%	0.921	84%	0.841	S	S	*	*	P	Polyproline II helix	trans	-97.9	133.1	160.6	-86	-179.3	146.2	0	0	109.2
22	P	40.3	Very low	39.6	Very low	128 Å²	128	131.1 Å²	131.1	83%	0.831	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-82	141.1	178.9	27.3	-23.1	0	0	0	111.9
23	G	34.2	Very low	39.6	Very low	78 Å²	78	133.4 Å²	133.4	80%	0.804	85%	0.845	S	S	*	*	P	Polyproline II helix	trans	-70.4	156.5	-173	0	0	0	0	0	115.6
24	G	36.4	Very low	39.2	Very low	79 Å²	79	133 Å²	133	81%	0.814	84%	0.843	S	S	*	*	P	Polyproline II helix	trans	-88.4	159.5	164.8	0	0	0	0	0	111.8
25	P	46.1	Very low	39.2	Very low	131 Å²	131	130.1 Å²	130.1	85%	0.851	84%	0.838	S	S	*	*			trans	-104.9	154.1	167.8	34.4	-24.2	0	0	0	113.6
26	M	42.7	Very low	38.7	Very low	200 Å²	200	129 Å²	129	99%	0.985	83%	0.827	S	S	*	*			trans	-55.6	159.1	177.5	-68.5	173.6	162.7	0	0	116
27	G	34.2	Very low	38.6	Very low	78 Å²	78	129.1 Å²	129.1	80%	0.804	83%	0.825	S	S	*	*			trans	179.7	99.3	154.9	0	0	0	0	0	116.6
28	G	33.4	Very low	38.4	Very low	79 Å²	79	132 Å²	132	81%	0.814	83%	0.83	S	S	*	*			trans	67.1	148.7	132.6	0	0	0	0	0	122.8
29	P	59.4	Low	38.4	Very low	129 Å²	129	126.6 Å²	126.6	84%	0.838	83%	0.827	S	S	*	*			trans	-111.3	175.5	-172	40.5	-29.3	0	0	0	116.4
30	M	36.1	Very low	38.3	Very low	179 Å²	179	120.7 Å²	120.7	88%	0.882	82%	0.818	S	S	*	*			trans	101.2	163.4	150.1	-116.3	-162.4	-172.6	0	0	118.8
31	P	58	Low	39.4	Very low	114 Å²	114	123.3 Å²	123.3	74%	0.74	82%	0.822	S	S	*	*				-134.4	-176.3	-85.4	42.7	-25.8	0	0	0	115.4
32	G	34.1	Very low	39.4	Very low	75 Å²	75	123.8 Å²	123.8	77%	0.773	82%	0.824	S	S	*	*			trans	117	150.6	162	0	0	0	0	0	113
33	Q	33.7	Very low	39.2	Very low	176 Å²	176	121.3 Å²	121.3	82%	0.822	82%	0.821	S	S	*	*			cis	-172.4	151.4	2.7	-155.4	175.6	39.4	0	0	105.8
34	M	33.2	Very low	39.2	Very low	174 Å²	174	121.3 Å²	121.3	86%	0.857	82%	0.821	S	S	*	*			trans	76.2	126.3	141.6	-118.2	167.2	173.3	0	0	122.5
35	G	36.2	Very low	40.3	Very low	77 Å²	77	123.4 Å²	123.4	79%	0.794	82%	0.821	S	S	*	*			trans	88.3	121.8	140.9	0	0	0	0	0	114.9
36	G	31.1	Very low	39.8	Very low	51 Å²	51	126.6 Å²	126.6	53%	0.526	83%	0.827	S	S	.	*			cis	122.5	116.6	21.1	0	0	0	0	0	108.9
37	H	37	Very low	39.3	Very low	187 Å²	187	120.9 Å²	120.9	87%	0.866	82%	0.819	S	S	*	*			trans	72.9	153.1	151.2	-26.4	-52.4	0	0	0	115
38	M	32.9	Very low	39.1	Very low	185 Å²	185	120.9 Å²	120.9	91%	0.911	82%	0.819	S	S	*	*			cis	-174.5	152.7	-4.5	-132.7	-178.3	-179	0	0	105.7
39	G	36.8	Very low	39.8	Very low	84 Å²	84	123.6 Å²	123.6	87%	0.866	82%	0.822	S	S	*	*			trans	78.5	138.5	157.7	0	0	0	0	0	114.6
40	G	36	Very low	38.4	Very low	69 Å²	69	120.5 Å²	120.5	71%	0.711	81%	0.814	S	S	*	*			cis	156.3	153.2	19.1	0	0	0	0	0	105.4
41	P	58.7	Low	38.5	Very low	130 Å²	130	121 Å²	121	84%	0.844	81%	0.814	S	S	*	*			trans	-96.7	-175.9	-159.7	37.8	-32.3	0	0	0	112.8
42	M	36.4	Very low	37.3	Very low	197 Å²	197	124 Å²	124	97%	0.97	82%	0.818	S	S	*	*			trans	112.1	131.3	146.5	-149.1	174.5	-159.1	0	0	115.9
43	G	37.1	Very low	37.8	Very low	75 Å²	75	126.5 Å²	126.5	77%	0.773	82%	0.821	S	S	*	*			trans	136.7	77.3	145.8	0	0	0	0	0	118.6
44	G	34.5	Very low	37.7	Very low	78 Å²	78	120.7 Å²	120.7	80%	0.804	81%	0.807	S	S	*	*				64.4	167.7	121.3	0	0	0	0	0	123.1
45	P	59	Low	37.6	Very low	124 Å²	124	124.1 Å²	124.1	81%	0.805	81%	0.813	S	S	*	*			trans	-121.2	-167.8	-149.3	39.1	-21.7	0	0	0	114.7
46	M	34.8	Very low	37.3	Very low	197 Å²	197	123.6 Å²	123.6	97%	0.97	81%	0.807	S	S	*	*			trans	83.3	140.1	178.7	-62.5	-177.2	161.6	0	0	114.3
47	G	31.9	Very low	37.3	Very low	80 Å²	80	127 Å²	127	83%	0.825	82%	0.823	S	S	*	*			cis	154.6	148.1	9.5	0	0	0	0	0	107.8
48	G	31.7	Very low	37	Very low	78 Å²	78	128.8 Å²	128.8	80%	0.804	82%	0.823	S	S	*	*			trans	119.6	150.5	155.4	0	0	0	0	0	117.6
49	P	46.9	Very low	36.9	Very low	136 Å²	136	123.5 Å²	123.5	88%	0.883	82%	0.816	S	S	*	*			trans	-111.4	160.3	-149.2	36.8	-23.1	0	0	0	113.6
50	G	30.9	Very low	37	Very low	64 Å²	64	124.9 Å²	124.9	66%	0.66	82%	0.82	S	S	*	*			trans	-172.9	94.6	175.1	0	0	0	0	0	116.8
51	H	36.6	Very low	36.7	Very low	191 Å²	191	125.1 Å²	125.1	88%	0.884	82%	0.822	S	S	*	*			trans	58.9	114.2	135.1	-65.5	79.1	0	0	0	121.8
52	Q	33.8	Very low	35.7	Very low	175 Å²	175	123.1 Å²	123.1	82%	0.818	83%	0.825	S	S	*	*			trans	-67.7	158.5	150.2	-131.6	170.5	-34.4	0	0	111
53	P	43.9	Very low	35.3	Very low	129 Å²	129	117.1 Å²	117.1	84%	0.838	81%	0.814	S	S	*	*				-140	157.6	87	33.9	-16.8	0	0	0	111.5
54	G	31.6	Very low	35.5	Very low	53 Å²	53	124.4 Å²	124.4	55%	0.546	82%	0.82	S	S	.	*			cis	116.3	93.2	29.2	0	0	0	0	0	109
55	Y	31.1	Very low	35.8	Very low	247 Å²	247	127.1 Å²	127.1	97%	0.969	82%	0.823	S	S	*	*			trans	-175.5	132.6	158.9	-126.2	-88.8	0	0	0	107
56	G	30.6	Very low	34.8	Very low	65 Å²	65	123.9 Å²	123.9	67%	0.67	81%	0.812	S	S	*	*			cis	-166.6	146.2	-5.5	0	0	0	0	0	105.8
57	S	31.4	Very low	34.9	Very low	123 Å²	123	118 Å²	118	86%	0.86	80%	0.802	S	S	*	*			trans	-91.6	135.1	-178.9	176	0	0	0	0	110.6
58	Y	30.8	Very low	35.6	Very low	224 Å²	224	124.9 Å²	124.9	88%	0.878	80%	0.804	S	S	*	*			trans	-157.1	135.7	147.2	53.8	-95.3	0	0	0	111.4
59	G	31.3	Very low	36.5	Very low	74 Å²	74	124.2 Å²	124.2	76%	0.763	80%	0.797	S	S	*	*			trans	107.2	92	146.3	0	0	0	0	0	116.8
60	A	36.9	Very low	36.7	Very low	114 Å²	114	122 Å²	122	94%	0.942	79%	0.791	S	S	*	*			trans	-64.6	141	161.9	0	0	0	0	0	111.9
61	G	31	Very low	37.7	Very low	73 Å²	73	123 Å²	123	75%	0.753	79%	0.785	S	S	*	*			trans	177.1	126.3	171.2	0	0	0	0	0	110.2
62	G	37.1	Very low	38.8	Very low	89 Å²	89	117.4 Å²	117.4	92%	0.918	77%	0.766	S	S	*	*			trans	-66.4	166.7	-162.4	0	0	0	0	0	117.5
63	G	29.2	Very low	40.1	Very low	71 Å²	71	115 Å²	115	73%	0.732	77%	0.766	S	S	*	*			trans	171.8	117	172.3	0	0	0	0	0	112.1
64	Y	39.6	Very low	41	Very low	228 Å²	228	110.1 Å²	110.1	89%	0.894	74%	0.736	S	S	*	*			trans	-31.7	143.3	173.6	-62	-99.9	0	0	0	116.4	G66	Y64-G66 PolarHBondContact O-N 3.11Å
65	P	41.5	Very low	42.5	Very low	135 Å²	135	109.3 Å²	109.3	88%	0.877	72%	0.724	S	S	*	*			trans	-83.2	85.3	168.2	34.2	-27.7	0	0	0	109	G67	P65-G67 PolarHBondContact O-N 3.15Å
66	G	38.7	Very low	44.4	Very low	56 Å²	56	104.2 Å²	104.2	58%	0.577	71%	0.714	S	S	*	*			trans	-78.9	68	166.6	0	0	0	0	0	110.5	Y64 Y68	Y64-G66 PolarHBondContact O-N 3.11Å; G66-Y68 PolarHBondContact O-N 2.94Å
67	G	36.6	Very low	46.7	Very low	72 Å²	72	102.9 Å²	102.9	74%	0.742	69%	0.692	S	S	*	*			trans	-72	93	167.2	0	0	0	0	0	108.6	P65 G69	P65-G67 PolarHBondContact O-N 3.15Å; G67-G69 PolarHBondContact O-N 3.29Å
68	Y	47.2	Very low	49	Very low	225 Å²	225	102.2 Å²	102.2	88%	0.882	68%	0.684	S	S	*	*			trans	-66.4	84.7	165.3	-66.5	-85.2	0	0	0	107.7	G66 A70	G66-Y68 PolarHBondContact O-N 2.94Å; Y68-A70 PolarHBondContact O-N 3.26Å
69	G	49.3	Very low	51.4	Low	64 Å²	64	93.8 Å²	93.8	66%	0.66	65%	0.653	S	S	*	*			trans	-51.3	135.6	158.5	0	0	0	0	0	107.5	G67	G67-G69 PolarHBondContact O-N 3.29Å
70	A	51	Low	53.9	Low	91 Å²	91	93.5 Å²	93.5	75%	0.752	63%	0.629	S	S	*	*			trans	-45.4	134.5	174.8	0	0	0	0	0	108.7	Y68	Y68-A70 PolarHBondContact O-N 3.26Å
71	P	53.5	Low	56.1	Low	83 Å²	83	90.2 Å²	90.2	54%	0.539	61%	0.607	S	S	.	*			trans	-49.4	138.2	175.3	-21	29.1	0	0	0	108.3	A75	P71-A75 HydrophobicContact CB-CB 3.51Å
72	P	58.9	Low	58.5	Low	74 Å²	74	93.7 Å²	93.7	48%	0.481	60%	0.598	S	S	.	*			trans	-50	145.1	174.6	19.7	-29.9	0	0	0	108.4	A74 A75	P72-A74 PolarHBondContact O-N 3.1Å; P72-A75 HydrophobicContact CG-CB 4.28Å; P72-A75 WeakPolarHBondContact O-CB 3.47Å; P72-A75 PolarHBondContact O-N 2.9Å
73	P	61.3	Low	60.9	Low	126 Å²	126	89.7 Å²	89.7	82%	0.818	56%	0.555	S	S	*	*	G	3₁₀ helix	trans	-51.2	-25	-172.3	-28.2	33.6	0	0	0	114.5
74	A	61.9	Low	63.6	Low	25 Å²	25	89.6 Å²	89.6	21%	0.207	54%	0.541	C	S	.	.	G	3₁₀ helix	trans	-68.1	-26.8	174.5	0	0	0	0	0	114.8	P72 N76 D77 W80 F136	P72-A74 PolarHBondContact O-N 3.1Å; A74-N76 PolarHBondContact O-N 2.95Å; A74-D77 VanDerWaalsContact O-CB 3.27Å; A74-D77 WeakPolarHBondContact O-CB 3.42Å; A74-D77 PolarHBondContact O-N 3.42Å; A74-W80 HydrophobicContact CB-CD2 3.92Å; A74-W80 HydrophobicContact CB-CE3 3.48Å; A74-W80 VanDerWaalsContact CB-CE3 3.48Å; A74-W80 HydrophobicContact CB-CH2 4.28Å; A74-W80 HydrophobicContact CB-CZ3 3.67Å; A74-W80 WeakPolarHBondContact O-CB 3.26Å; A74-F136 HydrophobicContact CB-CD1 3.73Å; A74-F136 HydrophobicContact CB-CE1 3.69Å
75	A	62.8	Low	65.7	Low	36 Å²	36	82.8 Å²	82.8	30%	0.298	53%	0.531	S	S	.	.	G	3₁₀ helix	trans	-70.1	-11.9	-174.8	0	0	0	0	0	115.1	P71 P72 D77 W80	P71-A75 HydrophobicContact CB-CB 3.51Å; P72-A75 HydrophobicContact CG-CB 4.28Å; P72-A75 WeakPolarHBondContact O-CB 3.47Å; P72-A75 PolarHBondContact O-N 2.9Å; A75-D77 VanDerWaalsContact C-N 3.32Å; A75-W80 VanDerWaalsContact CA-CD1 3.47Å
76	N	72.8	Confident	67.8	Low	140 Å²	140	77.2 Å²	77.2	75%	0.749	49%	0.494	S	S	*	.	G	3₁₀ helix	trans	-85.1	-7	171.2	-72.6	-14.2	0	0	0	112.8	A74	A74-N76 PolarHBondContact O-N 2.95Å
77	D	78.9	Confident	70	Confident	38 Å²	38	75.6 Å²	75.6	20%	0.203	48%	0.475	C	S	.	.	S	Bend	trans	-85.5	128.1	178.4	-166.3	-50.8	0	0	0	110	A74 A75 M79 W80 F136 K140	A74-D77 VanDerWaalsContact O-CB 3.27Å; A74-D77 WeakPolarHBondContact O-CB 3.42Å; A74-D77 PolarHBondContact O-N 3.42Å; A75-D77 VanDerWaalsContact C-N 3.32Å; D77-M79 PolarHBondContact O-N 3.43Å; D77-M79 VanDerWaalsContact O-N 3.12Å; D77-M79 WeakPolarHBondContact OD1-CB 3.38Å; D77-M79 PolarHBondContact OD1-N 3.16Å; D77-W80 HydrophobicContact CB-CB 4.47Å; D77-W80 WeakPolarHBondContact O-CB 2.89Å; D77-W80 PolarHBondContact O-N 2.88Å; D77-F136 HydrophobicContact CB-CE1 4.21Å; D77-F136 HydrophobicContact CB-CZ 3.82Å; D77-K140 WeakPolarHBondContact OD2-CD 3.48Å; D77-K140 VanDerWaalsContact OD2-CE 3.3Å; D77-K140 WeakPolarHBondContact OD2-CE 3.4Å; D77-K140 IonicContact OD2-NZ 3.53Å; D77-K140 PolarHBondContact OD2-NZ 3.36Å
78	P	78.6	Confident	72.2	Confident	108 Å²	108	73.1 Å²	73.1	70%	0.701	45%	0.45	S	S	*	.	H	α-helix	trans	-59	-24.7	178	23.2	-33.1	0	0	0	113.2	W80 Y82	P78-W80 VanDerWaalsContact C-N 3.29Å; P78-W80 PolarHBondContact O-N 2.68Å; P78-Y82 WeakPolarHBondContact O-CD2 3.08Å
79	M	81	Confident	73.9	Confident	48 Å²	48	72.6 Å²	72.6	24%	0.236	46%	0.456	C	S	.	.	H	α-helix	trans	-72.5	-19.6	173.8	-69.9	-168.3	173.6	0	0	113.4	D77 G81 Y82 F83 F136 K140 F143	D77-M79 PolarHBondContact O-N 3.43Å; D77-M79 VanDerWaalsContact O-N 3.12Å; D77-M79 WeakPolarHBondContact OD1-CB 3.38Å; D77-M79 PolarHBondContact OD1-N 3.16Å; M79-G81 VanDerWaalsContact C-N 3.31Å; M79-G81 PolarHBondContact O-N 3.37Å; M79-Y82 PolarHBondContact O-N 3.43Å; M79-F83 WeakPolarHBondContact O-CB 3.16Å; M79-F83 PolarHBondContact O-N 3.19Å; M79-F136 HydrophobicContact CB-CE2 3.98Å; M79-F136 HydrophobicContact CB-CZ 4.24Å; M79-K140 HydrophobicContact CB-CG 4.2Å; M79-K140 HydrophobicContact SD-CB 4.23Å; M79-K140 HydrophobicContact SD-CG 3.81Å; M79-F143 HydrophobicContact CE-CB 3.84Å; M79-F143 HydrophobicContact CE-CD1 3.27Å; M79-F143 HydrophobicContact CE-CE1 4.02Å; M79-F143 HydrophobicContact CE-CG 3.76Å; M79-F143 HydrophobicContact SD-CB 4.08Å; M79-F143 HydrophobicContact SD-CD1 4.42Å; M79-F143 HydrophobicContact SD-CG 4.37Å
80	W	84.2	Confident	75.7	Confident	68 Å²	68	73.5 Å²	73.5	26%	0.258	45%	0.445	S	S	.	.	H	α-helix	trans	-64.3	-37.2	-179.9	-177.5	-103.2	0	0	0	112.3	A74 A75 D77 P78 Y82 F83 T84 F136	A74-W80 HydrophobicContact CB-CD2 3.92Å; A74-W80 HydrophobicContact CB-CE3 3.48Å; A74-W80 VanDerWaalsContact CB-CE3 3.48Å; A74-W80 HydrophobicContact CB-CH2 4.28Å; A74-W80 HydrophobicContact CB-CZ3 3.67Å; A74-W80 WeakPolarHBondContact O-CB 3.26Å; A75-W80 VanDerWaalsContact CA-CD1 3.47Å; D77-W80 HydrophobicContact CB-CB 4.47Å; D77-W80 WeakPolarHBondContact O-CB 2.89Å; D77-W80 PolarHBondContact O-N 2.88Å; P78-W80 VanDerWaalsContact C-N 3.29Å; P78-W80 PolarHBondContact O-N 2.68Å; W80-Y82 VanDerWaalsContact C-N 3.33Å; W80-Y82 PolarHBondContact O-N 2.82Å; W80-F83 HydrophobicContact CE3-CD1 4.1Å; W80-F83 HydrophobicContact CH2-CD1 4.45Å; W80-F83 HydrophobicContact CH2-CE1 4.5Å; W80-F83 AromaticContact CZ3-CD1 3.9Å; W80-F83 HydrophobicContact CZ3-CD1 3.9Å; W80-F83 HydrophobicContact CZ3-CE1 4.13Å; W80-F83 PolarHBondContact O-N 2.89Å; W80-T84 HydrophobicContact CD2-CG2 3.92Å; W80-T84 VanDerWaalsContact CE2-CG2 3.41Å; W80-T84 HydrophobicContact CG-CG2 4.28Å; W80-T84 HydrophobicContact CH2-CG2 4.34Å; W80-T84 HydrophobicContact CZ2-CG2 3.66Å; W80-T84 WeakPolarHBondContact O-CB 3.27Å; W80-T84 WeakPolarHBondContact O-CG2 3.43Å; W80-T84 PolarHBondContact O-N 3.49Å; W80-T84 PolarHBondContact O-OG1 3.24Å; W80-F136 HydrophobicContact CB-CE2 4.1Å; W80-F136 HydrophobicContact CB-CZ 3.9Å; W80-F136 HydrophobicContact CE3-CB 4.09Å; W80-F136 AromaticContact CE3-CD1 3.55Å; W80-F136 HydrophobicContact CE3-CD1 3.55Å; W80-F136 AromaticContact CE3-CD2 3.59Å; W80-F136 HydrophobicContact CE3-CD2 3.59Å; W80-F136 AromaticContact CE3-CE1 3.77Å; W80-F136 HydrophobicContact CE3-CE1 3.77Å; W80-F136 AromaticContact CE3-CE2 3.83Å; W80-F136 HydrophobicContact CE3-CE2 3.83Å; W80-F136 AromaticContact CE3-CG 3.44Å; W80-F136 HydrophobicContact CE3-CG 3.44Å; W80-F136 VanDerWaalsContact CE3-CG 3.44Å; W80-F136 AromaticContact CE3-CZ 3.9Å; W80-F136 HydrophobicContact CE3-CZ 3.9Å; W80-F136 HydrophobicContact CZ3-CB 3.67Å; W80-F136 AromaticContact CZ3-CD1 3.79Å; W80-F136 HydrophobicContact CZ3-CD1 3.79Å; W80-F136 HydrophobicContact CZ3-CD2 4.07Å; W80-F136 HydrophobicContact CZ3-CE1 4.45Å; W80-F136 AromaticContact CZ3-CG 3.56Å; W80-F136 HydrophobicContact CZ3-CG 3.56Å
81	G	83.2	Confident	77.3	Confident	45 Å²	45	71.1 Å²	71.1	46%	0.464	43%	0.429	S	S	.	.	H	α-helix	trans	-61.9	-41.7	174.4	0	0	0	0	0	112.2	M79 T84 A85	M79-G81 VanDerWaalsContact C-N 3.31Å; M79-G81 PolarHBondContact O-N 3.37Å; G81-T84 PolarHBondContact O-OG1 2.99Å; G81-A85 WeakPolarHBondContact O-CB 3.49Å; G81-A85 PolarHBondContact O-N 3.47Å
82	Y	81.9	Confident	79.1	Confident	146 Å²	146	69.9 Å²	69.9	57%	0.573	42%	0.416	S	S	*	.	H	α-helix	trans	-67.2	-44.5	175.7	-67.2	-77.4	0	0	0	111.9	P78 M79 W80 A85 I86	P78-Y82 WeakPolarHBondContact O-CD2 3.08Å; M79-Y82 PolarHBondContact O-N 3.43Å; W80-Y82 VanDerWaalsContact C-N 3.33Å; W80-Y82 PolarHBondContact O-N 2.82Å; Y82-A85 PolarHBondContact O-N 3.37Å; Y82-I86 WeakPolarHBondContact O-CG1 3.39Å
83	F	85.8	Confident	80.6	Confident	5 Å²	5	66.3 Å²	66.3	2%	0.022	39%	0.393	C	S	.	.	H	α-helix	trans	-61.6	-51.1	178.8	178	-98.3	0	0	0	112	M79 W80 A85 I86 A87 G91 V93 F136 F139	M79-F83 WeakPolarHBondContact O-CB 3.16Å; M79-F83 PolarHBondContact O-N 3.19Å; W80-F83 HydrophobicContact CE3-CD1 4.1Å; W80-F83 HydrophobicContact CH2-CD1 4.45Å; W80-F83 HydrophobicContact CH2-CE1 4.5Å; W80-F83 AromaticContact CZ3-CD1 3.9Å; W80-F83 HydrophobicContact CZ3-CD1 3.9Å; W80-F83 HydrophobicContact CZ3-CE1 4.13Å; W80-F83 PolarHBondContact O-N 2.89Å; F83-A85 PolarHBondContact O-N 3.46Å; F83-I86 WeakPolarHBondContact O-CG1 3.24Å; F83-I86 PolarHBondContact O-N 3.45Å; F83-I86 VanDerWaalsContact O-N 3.1Å; F83-A87 HydrophobicContact CD1-CB 4.27Å; F83-A87 HydrophobicContact CE1-CB 3.95Å; F83-A87 HydrophobicContact CZ-CB 4.09Å; F83-A87 VanDerWaalsContact O-CB 3.23Å; F83-A87 WeakPolarHBondContact O-CB 3.28Å; F83-A87 PolarHBondContact O-N 3.17Å; F83-G91 VanDerWaalsContact CZ-O 3.28Å; F83-G91 WeakPolarHBondContact CZ-O 3.43Å; F83-V93 HydrophobicContact CD2-CG2 3.72Å; F83-V93 HydrophobicContact CE2-CB 4.42Å; F83-V93 HydrophobicContact CE2-CG2 3.41Å; F83-V93 VanDerWaalsContact CE2-CG2 3.41Å; F83-V93 HydrophobicContact CZ-CG2 4.16Å; F83-F136 HydrophobicContact CB-CD2 3.57Å; F83-F136 HydrophobicContact CB-CE2 3.93Å; F83-F136 HydrophobicContact CD1-CB 3.99Å; F83-F136 AromaticContact CD1-CD2 3.88Å; F83-F136 HydrophobicContact CD1-CD2 3.88Å; F83-F136 HydrophobicContact CD1-CG 4.3Å; F83-F136 HydrophobicContact CD2-CB 4.28Å; F83-F136 AromaticContact CD2-CD2 3.99Å; F83-F136 HydrophobicContact CD2-CD2 3.99Å; F83-F136 HydrophobicContact CE1-CB 3.89Å; F83-F136 HydrophobicContact CE2-CB 4.16Å; F83-F136 HydrophobicContact CG-CB 4.2Å; F83-F136 AromaticContact CG-CD2 3.53Å; F83-F136 HydrophobicContact CG-CD2 3.53Å; F83-F136 HydrophobicContact CG-CE2 4.39Å; F83-F136 HydrophobicContact CG-CG 4.32Å; F83-F136 HydrophobicContact CZ-CB 3.97Å; F83-F139 HydrophobicContact CB-CD1 4.19Å; F83-F139 HydrophobicContact CB-CE1 4.39Å; F83-F139 HydrophobicContact CD2-CB 3.8Å; F83-F139 HydrophobicContact CD2-CD1 4.16Å; F83-F139 HydrophobicContact CD2-CD2 4.35Å; F83-F139 AromaticContact CD2-CG 3.85Å; F83-F139 HydrophobicContact CD2-CG 3.85Å; F83-F139 HydrophobicContact CE2-CB 4.19Å
84	T	86.1	Confident	82.1	Confident	69 Å²	69	62.8 Å²	62.8	42%	0.423	37%	0.367	S	S	.	.	H	α-helix	trans	-67.1	-22.9	-179.5	51.8	0	0	0	0	113.8	W80 G81 I86	W80-T84 HydrophobicContact CD2-CG2 3.92Å; W80-T84 VanDerWaalsContact CE2-CG2 3.41Å; W80-T84 HydrophobicContact CG-CG2 4.28Å; W80-T84 HydrophobicContact CH2-CG2 4.34Å; W80-T84 HydrophobicContact CZ2-CG2 3.66Å; W80-T84 WeakPolarHBondContact O-CB 3.27Å; W80-T84 WeakPolarHBondContact O-CG2 3.43Å; W80-T84 PolarHBondContact O-N 3.49Å; W80-T84 PolarHBondContact O-OG1 3.24Å; G81-T84 PolarHBondContact O-OG1 2.99Å; T84-I86 VanDerWaalsContact C-N 3.27Å
85	A	84.1	Confident	83.5	Confident	84 Å²	84	62.2 Å²	62.2	69%	0.694	36%	0.363	S	S	*	.	H	α-helix	trans	-72.9	-21.8	174.8	0	0	0	0	0	113.1	G81 Y82 F83	G81-A85 WeakPolarHBondContact O-CB 3.49Å; G81-A85 PolarHBondContact O-N 3.47Å; Y82-A85 PolarHBondContact O-N 3.37Å; F83-A85 PolarHBondContact O-N 3.46Å
86	I	85.1	Confident	84.9	Confident	18 Å²	18	65.6 Å²	65.6	9%	0.092	37%	0.373	C	S	.	.	H	α-helix	trans	-114.3	-24.5	-174.8	66.4	165.7	0	0	0	112.6	Y82 F83 T84 V93 E97 C101 F139	Y82-I86 WeakPolarHBondContact O-CG1 3.39Å; F83-I86 WeakPolarHBondContact O-CG1 3.24Å; F83-I86 PolarHBondContact O-N 3.45Å; F83-I86 VanDerWaalsContact O-N 3.1Å; T84-I86 VanDerWaalsContact C-N 3.27Å; I86-V93 HydrophobicContact CD1-CG1 3.81Å; I86-V93 HydrophobicContact CD1-CG2 3.81Å; I86-V93 HydrophobicContact CG1-CG1 4.46Å; I86-V93 HydrophobicContact CG1-CG2 3.86Å; I86-E97 WeakPolarHBondContact O-CB 3.11Å; I86-E97 VanDerWaalsContact O-CD 3.27Å; I86-E97 VanDerWaalsContact O-CG 3.3Å; I86-E97 WeakPolarHBondContact O-CG 3.32Å; I86-C101 HydrophobicContact CB-CB 4.08Å; I86-C101 HydrophobicContact CD1-CB 3.42Å; I86-C101 VanDerWaalsContact CD1-CB 3.42Å; I86-C101 HydrophobicContact CG1-CB 4.25Å; I86-C101 HydrophobicContact CG2-CB 3.43Å; I86-C101 VanDerWaalsContact CG2-CB 3.43Å; I86-F139 HydrophobicContact CD1-CD2 4.3Å; I86-F139 HydrophobicContact CD1-CE2 3.64Å; I86-F139 HydrophobicContact CD1-CZ 4.11Å
87	A	86.8	Confident	85.8	Confident	22 Å²	22	60.2 Å²	60.2	18%	0.182	34%	0.343	C	S	.	.			trans	-67.2	140.9	-177.7	0	0	0	0	0	110.4	F83 E92 V93	F83-A87 HydrophobicContact CD1-CB 4.27Å; F83-A87 HydrophobicContact CE1-CB 3.95Å; F83-A87 HydrophobicContact CZ-CB 4.09Å; F83-A87 VanDerWaalsContact O-CB 3.23Å; F83-A87 WeakPolarHBondContact O-CB 3.28Å; F83-A87 PolarHBondContact O-N 3.17Å; A87-E92 WeakPolarHBondContact CA-O 3.08Å; A87-V93 HydrophobicContact CB-CG2 3.9Å
88	G	82.6	Confident	86.4	Confident	21 Å²	21	58.4 Å²	58.4	22%	0.216	33%	0.333	C	S	.	.			trans	-65.9	179.7	176	0	0	0	0	0	112.6	D90 G91 E92 E97	G88-D90 WeakPolarHBondContact CA-OD1 3.27Å; G88-D90 PolarHBondContact O-N 2.83Å; G88-D90 VanDerWaalsContact O-N 3.17Å; G88-G91 PolarHBondContact O-N 3.27Å; G88-E92 PolarHBondContact N-O 2.95Å; G88-E97 WeakPolarHBondContact CA-OE1 3.42Å; G88-E97 PolarHBondContact N-OE1 3.31Å
89	Q	82.5	Confident	87.1	Confident	214 Å²	214	56 Å²	56	100%	1	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-64	-18.7	176.3	-66.3	-178.9	1	0	0	113.1	G91	Q89-G91 VanDerWaalsContact C-N 3.29Å
90	D	86.2	Confident	87.4	Confident	83 Å²	83	59.8 Å²	59.8	44%	0.444	32%	0.324	S	S	.	.	T	Hydrogen-bonded Turn	trans	-79.1	-9.3	174.7	53.5	6.8	0	0	0	113.4	G88 E92 K133	G88-D90 WeakPolarHBondContact CA-OD1 3.27Å; G88-D90 PolarHBondContact O-N 2.83Å; G88-D90 VanDerWaalsContact O-N 3.17Å; D90-E92 VanDerWaalsContact C-N 3.31Å; D90-E92 PolarHBondContact OD1-N 2.86Å; D90-K133 IonicContact OD2-NZ 3.16Å; D90-K133 PolarHBondContact OD2-NZ 3.29Å
91	G	85.9	Confident	87.5	Confident	40 Å²	40	56.8 Å²	56.8	41%	0.412	31%	0.314	S	S	.	.	S	Bend	trans	77.2	18.3	-179.6	0	0	0	0	0	113.7	F83 G88 Q89	F83-G91 VanDerWaalsContact CZ-O 3.28Å; F83-G91 WeakPolarHBondContact CZ-O 3.43Å; G88-G91 PolarHBondContact O-N 3.27Å; Q89-G91 VanDerWaalsContact C-N 3.29Å
92	E	89.8	Confident	87.7	Confident	57 Å²	57	54.7 Å²	54.7	27%	0.266	29%	0.292	S	S	.	.			trans	-123.1	167.7	175.5	-59.5	-176.3	148.6	0	0	110.4	A87 G88 D90 K133	A87-E92 WeakPolarHBondContact CA-O 3.08Å; G88-E92 PolarHBondContact N-O 2.95Å; D90-E92 VanDerWaalsContact C-N 3.31Å; D90-E92 PolarHBondContact OD1-N 2.86Å; E92-K133 HydrophobicContact CB-CB 3.89Å; E92-K133 HydrophobicContact CB-CD 4.07Å; E92-K133 WeakPolarHBondContact OE2-CB 3.39Å; E92-K133 VanDerWaalsContact OE2-CD 3.25Å; E92-K133 WeakPolarHBondContact OE2-CD 3.32Å
93	V	90.7	Very high	87.9	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	28%	0.284	C	S	.	.	B	Isolated β-bridge	trans	-117.6	122.1	-178.2	176.3	0	0	0	0	109.9	F83 I86 A87 E97 L98 M134	F83-V93 HydrophobicContact CD2-CG2 3.72Å; F83-V93 HydrophobicContact CE2-CB 4.42Å; F83-V93 HydrophobicContact CE2-CG2 3.41Å; F83-V93 VanDerWaalsContact CE2-CG2 3.41Å; F83-V93 HydrophobicContact CZ-CG2 4.16Å; I86-V93 HydrophobicContact CD1-CG1 3.81Å; I86-V93 HydrophobicContact CD1-CG2 3.81Å; I86-V93 HydrophobicContact CG1-CG1 4.46Å; I86-V93 HydrophobicContact CG1-CG2 3.86Å; A87-V93 HydrophobicContact CB-CG2 3.9Å; V93-E97 WeakPolarHBondContact CA-OE2 3.4Å; V93-E97 HydrophobicContact CG1-CB 3.88Å; V93-L98 HydrophobicContact CG1-CB 3.95Å; V93-M134 HydrophobicContact CB-CB 4.32Å; V93-M134 PolarHBondContact N-O 3.07Å; V93-M134 PolarHBondContact O-N 3.34Å
94	D	92.6	Very high	87.8	Confident	51 Å²	51	58.1 Å²	58.1	27%	0.273	32%	0.318	S	S	.	.			trans	-88.5	177	171.5	76.2	32.3	0	0	0	113.2	E96 E97 L98	D94-E96 VanDerWaalsContact C-N 3.31Å; D94-E96 PolarHBondContact O-N 3.41Å; D94-E96 WeakPolarHBondContact OD1-CA 3.44Å; D94-E96 WeakPolarHBondContact OD1-CB 3.36Å; D94-E96 PolarHBondContact OD1-N 2.82Å; D94-E97 PolarHBondContact N-OE2 3.38Å; D94-E97 PolarHBondContact O-N 3.23Å; D94-E97 WeakPolarHBondContact OD1-CG 3.4Å; D94-E97 PolarHBondContact OD1-N 3.27Å; D94-L98 WeakPolarHBondContact O-CB 3.3Å; D94-L98 PolarHBondContact O-N 3.35Å
95	A	92.1	Very high	87.5	Confident	14 Å²	14	57.1 Å²	57.1	12%	0.116	32%	0.316	C	S	.	.	H	α-helix	trans	-65	-32.2	-176.9	0	0	0	0	0	113.6	Q99 L116 C119 R120 I123	A95-Q99 WeakPolarHBondContact O-CB 3.44Å; A95-Q99 PolarHBondContact O-N 3.38Å; A95-L116 HydrophobicContact CB-CD1 3.79Å; A95-C119 HydrophobicContact CB-CB 4.28Å; A95-C119 WeakPolarHBondContact O-CB 3.45Å; A95-R120 HydrophobicContact CB-CG 3.65Å; A95-I123 VanDerWaalsContact CA-CD1 3.44Å; A95-I123 HydrophobicContact CB-CD1 3.92Å; A95-I123 VanDerWaalsContact N-CD1 3.25Å
96	E	91.9	Very high	87.4	Confident	107 Å²	107	55 Å²	55	50%	0.5	30%	0.303	S	S	.	.	H	α-helix	trans	-75	-41.6	178.6	-61.4	-173.5	176.5	0	0	110.6	D94 Q99 R100 L116	D94-E96 VanDerWaalsContact C-N 3.31Å; D94-E96 PolarHBondContact O-N 3.41Å; D94-E96 WeakPolarHBondContact OD1-CA 3.44Å; D94-E96 WeakPolarHBondContact OD1-CB 3.36Å; D94-E96 PolarHBondContact OD1-N 2.82Å; E96-Q99 PolarHBondContact O-N 3.23Å; E96-R100 WeakPolarHBondContact O-CG 3.37Å; E96-R100 PolarHBondContact O-N 2.93Å; E96-L116 HydrophobicContact CG-CD1 3.95Å
97	E	92.4	Very high	87.3	Confident	27 Å²	27	54.6 Å²	54.6	13%	0.126	30%	0.3	C	S	.	.	H	α-helix	trans	-61.3	-45.1	173	-70.7	170.9	157.6	0	0	111.6	I86 G88 V93 D94 R100 C101	I86-E97 WeakPolarHBondContact O-CB 3.11Å; I86-E97 VanDerWaalsContact O-CD 3.27Å; I86-E97 VanDerWaalsContact O-CG 3.3Å; I86-E97 WeakPolarHBondContact O-CG 3.32Å; G88-E97 WeakPolarHBondContact CA-OE1 3.42Å; G88-E97 PolarHBondContact N-OE1 3.31Å; V93-E97 WeakPolarHBondContact CA-OE2 3.4Å; V93-E97 HydrophobicContact CG1-CB 3.88Å; D94-E97 PolarHBondContact N-OE2 3.38Å; D94-E97 PolarHBondContact O-N 3.23Å; D94-E97 WeakPolarHBondContact OD1-CG 3.4Å; D94-E97 PolarHBondContact OD1-N 3.27Å; E97-R100 PolarHBondContact O-N 3.33Å; E97-C101 WeakPolarHBondContact O-CB 3.48Å; E97-C101 PolarHBondContact O-N 3.45Å
98	L	91.4	Very high	87	Confident	0 Å²	0	54 Å²	54	0%	0	29%	0.294	C	S	.	.	H	α-helix	trans	-61.2	-46	174.8	-179.4	61.6	0	0	0	111.6	V93 D94 R100 C101 L102 C119 M122 I123 F139 L142	V93-L98 HydrophobicContact CG1-CB 3.95Å; D94-L98 WeakPolarHBondContact O-CB 3.3Å; D94-L98 PolarHBondContact O-N 3.35Å; L98-R100 PolarHBondContact O-N 2.92Å; L98-C101 WeakPolarHBondContact O-CB 3.49Å; L98-C101 PolarHBondContact O-N 3.41Å; L98-L102 HydrophobicContact CD1-CD1 3.88Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.89Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 WeakPolarHBondContact O-CG 3.31Å; L98-L102 PolarHBondContact O-N 3.1Å; L98-C119 HydrophobicContact CD2-CB 4.2Å; L98-M122 HydrophobicContact CD2-CB 4.02Å; L98-M122 HydrophobicContact CD2-SD 4.23Å; L98-I123 HydrophobicContact CB-CD1 4.46Å; L98-I123 HydrophobicContact CD2-CD1 4.17Å; L98-I123 HydrophobicContact CD2-CG1 3.81Å; L98-F139 HydrophobicContact CD1-CD2 4.49Å; L98-F139 HydrophobicContact CD1-CE2 4.19Å; L98-L142 HydrophobicContact CD1-CD2 3.83Å; L98-L142 HydrophobicContact CD2-CD2 3.74Å; L98-L142 HydrophobicContact CG-CD2 4.44Å
99	Q	91.8	Very high	87	Confident	56 Å²	56	55.5 Å²	55.5	26%	0.262	31%	0.309	S	S	.	.	H	α-helix	trans	-60.4	-46.5	178.9	-169.8	-172.1	41	0	0	111.3	A95 E96 C101 L102 T103 F114 C119	A95-Q99 WeakPolarHBondContact O-CB 3.44Å; A95-Q99 PolarHBondContact O-N 3.38Å; E96-Q99 PolarHBondContact O-N 3.23Å; Q99-C101 VanDerWaalsContact C-N 3.34Å; Q99-C101 PolarHBondContact O-N 3.11Å; Q99-L102 PolarHBondContact O-N 3.05Å; Q99-T103 WeakPolarHBondContact O-CB 3.47Å; Q99-T103 PolarHBondContact O-N 3.27Å; Q99-T103 PolarHBondContact O-OG1 3.12Å; Q99-F114 PolarHBondContact NE2-O 2.7Å; Q99-C119 HydrophobicContact CB-CB 4.46Å
100	R	88.2	Confident	86.9	Confident	129 Å²	129	50.4 Å²	50.4	49%	0.487	30%	0.298	S	S	.	.	H	α-helix	trans	-60.4	-45.3	176.6	-74.2	-173.8	-64.4	-147.5	1.4	111	E96 E97 L98 T103 Q104	E96-R100 WeakPolarHBondContact O-CG 3.37Å; E96-R100 PolarHBondContact O-N 2.93Å; E97-R100 PolarHBondContact O-N 3.33Å; L98-R100 PolarHBondContact O-N 2.92Å; R100-T103 PolarHBondContact O-N 3.48Å; R100-Q104 WeakPolarHBondContact O-CB 3.38Å; R100-Q104 VanDerWaalsContact O-CG 3.28Å; R100-Q104 WeakPolarHBondContact O-CG 3.11Å; R100-Q104 PolarHBondContact O-N 2.89Å
101	C	86.7	Confident	86.8	Confident	5 Å²	5	47.4 Å²	47.4	3%	0.034	28%	0.28	C	S	.	.	H	α-helix	trans	-57.6	-54.7	177.1	-178.2	0	0	0	0	112	I86 E97 L98 Q99 T103 Q104 A105	I86-C101 HydrophobicContact CB-CB 4.08Å; I86-C101 HydrophobicContact CD1-CB 3.42Å; I86-C101 VanDerWaalsContact CD1-CB 3.42Å; I86-C101 HydrophobicContact CG1-CB 4.25Å; I86-C101 HydrophobicContact CG2-CB 3.43Å; I86-C101 VanDerWaalsContact CG2-CB 3.43Å; E97-C101 WeakPolarHBondContact O-CB 3.48Å; E97-C101 PolarHBondContact O-N 3.45Å; L98-C101 WeakPolarHBondContact O-CB 3.49Å; L98-C101 PolarHBondContact O-N 3.41Å; Q99-C101 VanDerWaalsContact C-N 3.34Å; Q99-C101 PolarHBondContact O-N 3.11Å; C101-T103 PolarHBondContact O-N 3.34Å; C101-Q104 PolarHBondContact O-N 2.96Å; C101-A105 WeakPolarHBondContact O-CB 3.18Å; C101-A105 PolarHBondContact O-N 2.73Å
102	L	87.1	Confident	86.7	Confident	1 Å²	1	50.3 Å²	50.3	1%	0.005	29%	0.286	C	S	.	.	H	α-helix	trans	-62.7	-33.9	-175.9	-67.9	172.9	0	0	0	111.3	L98 Q99 G106 F107 F114 M122 F143 L146	L98-L102 HydrophobicContact CD1-CD1 3.88Å; L98-L102 HydrophobicContact CD1-CG 4.01Å; L98-L102 HydrophobicContact CG-CD1 3.89Å; L98-L102 HydrophobicContact CG-CG 4.39Å; L98-L102 WeakPolarHBondContact O-CG 3.31Å; L98-L102 PolarHBondContact O-N 3.1Å; Q99-L102 PolarHBondContact O-N 3.05Å; L102-G106 PolarHBondContact O-N 3.01Å; L102-F107 HydrophobicContact CB-CB 4.31Å; L102-F107 HydrophobicContact CD2-CB 4.1Å; L102-F107 HydrophobicContact CD2-CD2 4.32Å; L102-F107 HydrophobicContact CD2-CG 4.04Å; L102-F107 VanDerWaalsContact O-CB 3.27Å; L102-F107 WeakPolarHBondContact O-CB 3.33Å; L102-F107 PolarHBondContact O-N 3.37Å; L102-F114 HydrophobicContact CB-CD2 3.93Å; L102-F114 HydrophobicContact CB-CE2 4.25Å; L102-F114 HydrophobicContact CD1-CD2 3.57Å; L102-F114 HydrophobicContact CD1-CE2 3.83Å; L102-F114 HydrophobicContact CG-CD2 4.33Å; L102-F114 HydrophobicContact CG-CE2 4.46Å; L102-M122 HydrophobicContact CD1-CE 4.34Å; L102-M122 HydrophobicContact CD1-SD 3.88Å; L102-F143 HydrophobicContact CD2-CE2 4.45Å; L102-L146 HydrophobicContact CD1-CD1 4.16Å; L102-L146 HydrophobicContact CD2-CD1 3.83Å
103	T	86.9	Confident	86.5	Confident	66 Å²	66	51 Å²	51	41%	0.405	30%	0.296	S	S	.	.	H	α-helix	trans	-69.6	-50	175.3	-55	0	0	0	0	111.6	Q99 R100 C101 A105 G106	Q99-T103 WeakPolarHBondContact O-CB 3.47Å; Q99-T103 PolarHBondContact O-N 3.27Å; Q99-T103 PolarHBondContact O-OG1 3.12Å; R100-T103 PolarHBondContact O-N 3.48Å; C101-T103 PolarHBondContact O-N 3.34Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.32Å; T103-G106 PolarHBondContact O-N 3.37Å
104	Q	82.7	Confident	86.5	Confident	157 Å²	157	51.2 Å²	51.2	73%	0.734	30%	0.297	S	S	*	.	H	α-helix	trans	-66.6	-35.4	-179.5	-72.6	177.7	5.1	0	0	112.7	R100 C101 G106	R100-Q104 WeakPolarHBondContact O-CB 3.38Å; R100-Q104 VanDerWaalsContact O-CG 3.28Å; R100-Q104 WeakPolarHBondContact O-CG 3.11Å; R100-Q104 PolarHBondContact O-N 2.89Å; C101-Q104 PolarHBondContact O-N 2.96Å; Q104-G106 PolarHBondContact O-N 3.16Å
105	A	80	Confident	86.4	Confident	48 Å²	48	50.9 Å²	50.9	40%	0.397	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	-69	-6.1	173.5	0	0	0	0	0	112.8	C101 T103 F107	C101-A105 WeakPolarHBondContact O-CB 3.18Å; C101-A105 PolarHBondContact O-N 2.73Å; T103-A105 VanDerWaalsContact C-N 3.34Å; T103-A105 PolarHBondContact O-N 3.32Å; A105-F107 PolarHBondContact O-N 3.14Å
106	G	81.9	Confident	86.4	Confident	39 Å²	39	52.3 Å²	52.3	40%	0.402	30%	0.304	S	S	.	.	T	Hydrogen-bonded Turn	trans	61	29.7	-175.5	0	0	0	0	0	112	L102 T103 Q104 T108 G109	L102-G106 PolarHBondContact O-N 3.01Å; T103-G106 PolarHBondContact O-N 3.37Å; Q104-G106 PolarHBondContact O-N 3.16Å; G106-T108 VanDerWaalsContact C-N 3.28Å; G106-T108 PolarHBondContact O-N 3.46Å; G106-G109 WeakPolarHBondContact O-CA 3.47Å; G106-G109 PolarHBondContact O-N 2.7Å
107	F	83.4	Confident	86.3	Confident	10 Å²	10	52.2 Å²	52.2	4%	0.044	30%	0.304	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.7	-41	-172.4	-174.4	-85.1	0	0	0	111.4	L102 A105 G109 F114 F143 L146 N147 K150 F200	L102-F107 HydrophobicContact CB-CB 4.31Å; L102-F107 HydrophobicContact CD2-CB 4.1Å; L102-F107 HydrophobicContact CD2-CD2 4.32Å; L102-F107 HydrophobicContact CD2-CG 4.04Å; L102-F107 VanDerWaalsContact O-CB 3.27Å; L102-F107 WeakPolarHBondContact O-CB 3.33Å; L102-F107 PolarHBondContact O-N 3.37Å; A105-F107 PolarHBondContact O-N 3.14Å; F107-G109 PolarHBondContact O-N 2.9Å; F107-F114 AromaticContact CD1-CE2 3.6Å; F107-F114 HydrophobicContact CD1-CE2 3.6Å; F107-F114 AromaticContact CD1-CZ 3.86Å; F107-F114 HydrophobicContact CD1-CZ 3.86Å; F107-F114 HydrophobicContact CE1-CE2 4.2Å; F107-F114 HydrophobicContact CE1-CZ 4.05Å; F107-F114 HydrophobicContact CG-CE2 4.48Å; F107-F143 HydrophobicContact CD2-CE2 4.08Å; F107-F143 AromaticContact CD2-CZ 3.95Å; F107-F143 HydrophobicContact CD2-CZ 3.95Å; F107-F143 HydrophobicContact CE2-CE1 4.46Å; F107-F143 HydrophobicContact CE2-CZ 4.28Å; F107-L146 HydrophobicContact CE1-CB 3.88Å; F107-L146 HydrophobicContact CE2-CB 4.02Å; F107-L146 VanDerWaalsContact CZ-C 3.5Å; F107-L146 HydrophobicContact CZ-CB 3.41Å; F107-L146 VanDerWaalsContact CZ-CB 3.41Å; F107-N147 WeakPolarHBondContact CE2-OD1 3.26Å; F107-K150 HydrophobicContact CE1-CB 4.35Å; F107-K150 HydrophobicContact CE1-CD 4.08Å; F107-K150 HydrophobicContact CZ-CB 4.29Å; F107-K150 HydrophobicContact CZ-CD 4.15Å; F107-K150 WeakPolarHBondContact O-CE 3.24Å; F107-K150 PolarHBondContact O-NZ 3.14Å; F107-F200 HydrophobicContact CE1-CZ 4.42Å
108	T	79.8	Confident	86.2	Confident	9 Å²	9	51.1 Å²	51.1	6%	0.055	30%	0.298	C	S	.	.	T	Hydrogen-bonded Turn	trans	-72.4	-17.5	177.1	63.3	0	0	0	0	112.3	G106 S110 Y111 N112 F114 F200	G106-T108 VanDerWaalsContact C-N 3.28Å; G106-T108 PolarHBondContact O-N 3.46Å; T108-S110 PolarHBondContact O-N 3.12Å; T108-Y111 WeakPolarHBondContact CB-O 3.26Å; T108-Y111 VanDerWaalsContact O-CB 3.28Å; T108-Y111 WeakPolarHBondContact O-CB 3.45Å; T108-Y111 WeakPolarHBondContact O-CD2 3.38Å; T108-Y111 PolarHBondContact O-N 2.95Å; T108-Y111 PolarHBondContact OG1-O 3.21Å; T108-N112 WeakPolarHBondContact CG2-O 3.31Å; T108-F114 HydrophobicContact CG2-CD2 3.82Å; T108-F114 HydrophobicContact CG2-CE1 4.48Å; T108-F114 HydrophobicContact CG2-CE2 3.7Å; T108-F114 HydrophobicContact CG2-CG 4.29Å; T108-F114 HydrophobicContact CG2-CZ 4.06Å; T108-F200 HydrophobicContact CG2-CD1 4.39Å; T108-F200 HydrophobicContact CG2-CE1 4.16Å
109	G	83	Confident	86.3	Confident	52 Å²	52	51.1 Å²	51.1	54%	0.536	30%	0.298	S	S	.	.	T	Hydrogen-bonded Turn	trans	61.4	-118.9	-177.9	0	0	0	0	0	111.3	G106 F107 Y111	G106-G109 WeakPolarHBondContact O-CA 3.47Å; G106-G109 PolarHBondContact O-N 2.7Å; F107-G109 PolarHBondContact O-N 2.9Å; G109-Y111 VanDerWaalsContact C-N 3.29Å
110	S	79.9	Confident	86.2	Confident	108 Å²	108	54.4 Å²	54.4	76%	0.755	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.6	-8.8	174.9	53.5	0	0	0	0	113.8	T108	T108-S110 PolarHBondContact O-N 3.12Å
111	Y	84.4	Confident	86.3	Confident	20 Å²	20	49 Å²	49	8%	0.078	29%	0.289	C	S	.	.	S	Bend	trans	-81.1	156.6	179.1	-51.5	-50.7	0	0	0	111.6	T108 G109 F153 M154 D157 F200	T108-Y111 WeakPolarHBondContact CB-O 3.26Å; T108-Y111 VanDerWaalsContact O-CB 3.28Å; T108-Y111 WeakPolarHBondContact O-CB 3.45Å; T108-Y111 WeakPolarHBondContact O-CD2 3.38Å; T108-Y111 PolarHBondContact O-N 2.95Å; T108-Y111 PolarHBondContact OG1-O 3.21Å; G109-Y111 VanDerWaalsContact C-N 3.29Å; Y111-F153 HydrophobicContact CE1-CE1 4.09Å; Y111-F153 HydrophobicContact CE2-CD1 4.23Å; Y111-F153 HydrophobicContact CE2-CE1 4.33Å; Y111-F153 AromaticContact CZ-CE1 3.88Å; Y111-M154 HydrophobicContact CE2-CG 4.45Å; Y111-D157 WeakPolarHBondContact CE1-OD2 3.45Å; Y111-D157 PolarHBondContact OH-OD2 3.21Å; Y111-F200 HydrophobicContact CD2-CB 4.36Å; Y111-F200 AromaticContact CD2-CD1 3.95Å; Y111-F200 HydrophobicContact CD2-CD1 3.95Å; Y111-F200 HydrophobicContact CD2-CD2 4.27Å; Y111-F200 HydrophobicContact CD2-CE1 4.32Å; Y111-F200 AromaticContact CD2-CG 3.92Å; Y111-F200 HydrophobicContact CD2-CG 3.92Å; Y111-F200 HydrophobicContact CG-CB 4.09Å; Y111-F200 HydrophobicContact CG-CD1 4.2Å; Y111-F200 HydrophobicContact CG-CG 4.11Å
112	N	83.8	Confident	86.5	Confident	100 Å²	100	48.7 Å²	48.7	54%	0.535	29%	0.287	S	S	.	.	P	Polyproline II helix	trans	-54.2	141.8	176	-71.3	-24.7	0	0	0	111	T108	T108-N112 WeakPolarHBondContact CG2-O 3.31Å
113	P	86.6	Confident	86.6	Confident	73 Å²	73	48.9 Å²	48.9	47%	0.474	29%	0.288	S	S	.	.	P	Polyproline II helix	trans	-55.4	151.5	172.6	-23.5	33.5	0	0	0	111.7
114	F	90.2	Very high	86.6	Confident	3 Å²	3	47 Å²	47	1%	0.013	28%	0.279	C	S	.	.	P	Polyproline II helix	trans	-63.1	140.8	174.8	-66.6	-63.3	0	0	0	111	Q99 L102 F107 T108 T118 M122 L146 F200 D201 V204	Q99-F114 PolarHBondContact NE2-O 2.7Å; L102-F114 HydrophobicContact CB-CD2 3.93Å; L102-F114 HydrophobicContact CB-CE2 4.25Å; L102-F114 HydrophobicContact CD1-CD2 3.57Å; L102-F114 HydrophobicContact CD1-CE2 3.83Å; L102-F114 HydrophobicContact CG-CD2 4.33Å; L102-F114 HydrophobicContact CG-CE2 4.46Å; F107-F114 AromaticContact CD1-CE2 3.6Å; F107-F114 HydrophobicContact CD1-CE2 3.6Å; F107-F114 AromaticContact CD1-CZ 3.86Å; F107-F114 HydrophobicContact CD1-CZ 3.86Å; F107-F114 HydrophobicContact CE1-CE2 4.2Å; F107-F114 HydrophobicContact CE1-CZ 4.05Å; F107-F114 HydrophobicContact CG-CE2 4.48Å; T108-F114 HydrophobicContact CG2-CD2 3.82Å; T108-F114 HydrophobicContact CG2-CE1 4.48Å; T108-F114 HydrophobicContact CG2-CE2 3.7Å; T108-F114 HydrophobicContact CG2-CG 4.29Å; T108-F114 HydrophobicContact CG2-CZ 4.06Å; F114-T118 HydrophobicContact CD1-CG2 4.09Å; F114-M122 HydrophobicContact CD1-CE 3.69Å; F114-M122 HydrophobicContact CD2-CE 4.02Å; F114-M122 HydrophobicContact CE1-CE 3.69Å; F114-M122 HydrophobicContact CE2-CE 3.99Å; F114-M122 HydrophobicContact CG-CE 3.86Å; F114-M122 HydrophobicContact CZ-CE 3.83Å; F114-L146 HydrophobicContact CZ-CD2 4.41Å; F114-F200 HydrophobicContact CE1-CD1 4.12Å; F114-F200 AromaticContact CE1-CE1 3.68Å; F114-F200 HydrophobicContact CE1-CE1 3.68Å; F114-F200 HydrophobicContact CE1-CZ 4.36Å; F114-F200 HydrophobicContact CZ-CD1 4.39Å; F114-F200 AromaticContact CZ-CE1 3.55Å; F114-F200 HydrophobicContact CZ-CE1 3.55Å; F114-F200 HydrophobicContact CZ-CZ 4.11Å; F114-D201 WeakPolarHBondContact CA-OD1 3.33Å; F114-D201 WeakPolarHBondContact CD1-OD1 3.42Å; F114-V204 HydrophobicContact CE1-CB 3.88Å; F114-V204 HydrophobicContact CE1-CG1 3.9Å; F114-V204 HydrophobicContact CE1-CG2 3.89Å; F114-V204 HydrophobicContact CZ-CG1 4.38Å; F114-V204 HydrophobicContact CZ-CG2 4.37Å
115	S	90.9	Very high	86.7	Confident	44 Å²	44	40.4 Å²	40.4	31%	0.308	25%	0.249	S	C	.	.	P	Polyproline II helix	trans	-71	156.9	169.5	66.4	0	0	0	0	110.9	E117 T118 C119 D201	S115-E117 PolarHBondContact O-N 2.99Å; S115-T118 PolarHBondContact O-N 3.22Å; S115-T118 PolarHBondContact OG-N 3.07Å; S115-T118 PolarHBondContact OG-OG1 3.19Å; S115-C119 PolarHBondContact O-N 3.4Å; S115-C119 VanDerWaalsContact O-N 3.11Å; S115-C119 PolarHBondContact O-SG 3.39Å; S115-D201 WeakPolarHBondContact CB-OD2 3.46Å; S115-D201 PolarHBondContact N-OD1 2.95Å; S115-D201 VanDerWaalsContact N-OD1 3.14Å; S115-D201 PolarHBondContact N-OD2 2.84Å; S115-D201 PolarHBondContact OG-OD2 3.23Å
116	L	91.3	Very high	86.8	Confident	45 Å²	45	38.5 Å²	38.5	24%	0.236	23%	0.232	C	C	.	.	H	α-helix	trans	-61.1	-33.5	176.9	-175.8	61.5	0	0	0	111.3	A95 E96 C119 R120	A95-L116 HydrophobicContact CB-CD1 3.79Å; E96-L116 HydrophobicContact CG-CD1 3.95Å; L116-C119 WeakPolarHBondContact O-CB 3.5Å; L116-C119 PolarHBondContact O-N 3.42Å; L116-R120 WeakPolarHBondContact O-CG 3.27Å; L116-R120 PolarHBondContact O-N 3.3Å
117	E	89.6	Confident	86.8	Confident	105 Å²	105	37.6 Å²	37.6	49%	0.491	22%	0.218	S	C	.	.	H	α-helix	trans	-63.4	-45.7	176	-171.2	62.7	-169	0	0	111.7	S115 C119 R120 I121	S115-E117 PolarHBondContact O-N 2.99Å; E117-C119 VanDerWaalsContact C-N 3.26Å; E117-C119 PolarHBondContact O-N 3.02Å; E117-R120 WeakPolarHBondContact O-CB 3.19Å; E117-R120 PolarHBondContact O-N 3.13Å; E117-R120 VanDerWaalsContact O-N 3.16Å; E117-R120 IonicContact OE2-NH1 2.77Å; E117-R120 PolarHBondContact OE2-NH1 2.93Å; E117-I121 HydrophobicContact CG-CD1 4.23Å; E117-I121 WeakPolarHBondContact O-CG1 3.42Å; E117-I121 PolarHBondContact O-N 3.18Å
118	T	90.9	Very high	86.4	Confident	3 Å²	3	43.9 Å²	43.9	2%	0.018	24%	0.241	C	C	.	.	H	α-helix	trans	-59.7	-40.1	174.2	-54.4	0	0	0	0	111.2	F114 S115 R120 I121 M122 D201 V204 A205	F114-T118 HydrophobicContact CD1-CG2 4.09Å; S115-T118 PolarHBondContact O-N 3.22Å; S115-T118 PolarHBondContact OG-N 3.07Å; S115-T118 PolarHBondContact OG-OG1 3.19Å; T118-R120 VanDerWaalsContact C-N 3.34Å; T118-R120 PolarHBondContact O-N 3.13Å; T118-I121 PolarHBondContact O-N 2.81Å; T118-M122 HydrophobicContact CG2-CE 3.54Å; T118-M122 VanDerWaalsContact O-CG 3.26Å; T118-M122 WeakPolarHBondContact O-CG 3.33Å; T118-M122 PolarHBondContact O-N 3.44Å; T118-D201 WeakPolarHBondContact CB-OD1 3.41Å; T118-D201 WeakPolarHBondContact CG2-OD1 3.45Å; T118-D201 VanDerWaalsContact OG1-CG 3.29Å; T118-D201 PolarHBondContact OG1-OD1 2.82Å; T118-D201 PolarHBondContact OG1-OD2 3.02Å; T118-V204 HydrophobicContact CG2-CG1 4.39Å; T118-A205 HydrophobicContact CG2-CB 3.94Å
119	C	92.2	Very high	86.3	Confident	0 Å²	0	48 Å²	48	0%	0	26%	0.263	C	S	.	.	H	α-helix	trans	-63.7	-38	177	-60.7	0	0	0	0	112.3	A95 L98 Q99 S115 L116 E117 M122 I123	A95-C119 HydrophobicContact CB-CB 4.28Å; A95-C119 WeakPolarHBondContact O-CB 3.45Å; L98-C119 HydrophobicContact CD2-CB 4.2Å; Q99-C119 HydrophobicContact CB-CB 4.46Å; S115-C119 PolarHBondContact O-N 3.4Å; S115-C119 VanDerWaalsContact O-N 3.11Å; S115-C119 PolarHBondContact O-SG 3.39Å; L116-C119 WeakPolarHBondContact O-CB 3.5Å; L116-C119 PolarHBondContact O-N 3.42Å; E117-C119 VanDerWaalsContact C-N 3.26Å; E117-C119 PolarHBondContact O-N 3.02Å; C119-M122 WeakPolarHBondContact O-CB 3.16Å; C119-M122 PolarHBondContact O-N 2.81Å; C119-I123 WeakPolarHBondContact O-CG1 3.44Å; C119-I123 PolarHBondContact O-N 3.34Å; C119-I123 VanDerWaalsContact O-N 3.09Å
120	R	90.7	Very high	86.1	Confident	126 Å²	126	51.8 Å²	51.8	48%	0.475	27%	0.265	S	S	.	.	H	α-helix	trans	-62.5	-47.2	172.8	-70.5	176.1	-176.1	137	0.2	112	A95 L116 E117 T118 M122 I123 A124	A95-R120 HydrophobicContact CB-CG 3.65Å; L116-R120 WeakPolarHBondContact O-CG 3.27Å; L116-R120 PolarHBondContact O-N 3.3Å; E117-R120 WeakPolarHBondContact O-CB 3.19Å; E117-R120 PolarHBondContact O-N 3.13Å; E117-R120 VanDerWaalsContact O-N 3.16Å; E117-R120 IonicContact OE2-NH1 2.77Å; E117-R120 PolarHBondContact OE2-NH1 2.93Å; T118-R120 VanDerWaalsContact C-N 3.34Å; T118-R120 PolarHBondContact O-N 3.13Å; R120-M122 VanDerWaalsContact C-N 3.27Å; R120-M122 PolarHBondContact O-N 3.38Å; R120-I123 PolarHBondContact O-N 3.28Å; R120-A124 WeakPolarHBondContact O-CB 3.25Å; R120-A124 PolarHBondContact O-N 2.89Å
121	I	89.8	Confident	86.2	Confident	14 Å²	14	49.7 Å²	49.7	7%	0.072	25%	0.247	C	C	.	.	H	α-helix	trans	-62.9	-36.9	178.8	-59.4	166.1	0	0	0	110.4	E117 T118 A124 M125 V208 K209 I242	E117-I121 HydrophobicContact CG-CD1 4.23Å; E117-I121 WeakPolarHBondContact O-CG1 3.42Å; E117-I121 PolarHBondContact O-N 3.18Å; T118-I121 PolarHBondContact O-N 2.81Å; I121-A124 PolarHBondContact O-N 3.41Å; I121-M125 PolarHBondContact O-N 3.44Å; I121-V208 HydrophobicContact CG2-CB 4.21Å; I121-V208 HydrophobicContact CG2-CG1 3.7Å; I121-V208 VanDerWaalsContact O-CG1 3.28Å; I121-V208 WeakPolarHBondContact O-CG1 3.45Å; I121-K209 HydrophobicContact CG2-CB 4.22Å; I121-I242 WeakPolarHBondContact CG1-OXT 3.23Å; I121-I242 HydrophobicContact CG2-CG2 4.16Å
122	M	91.1	Very high	86.1	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	27%	0.266	C	S	.	.	H	α-helix	trans	-61.2	-43.1	174.3	-74.7	179.5	-166.2	0	0	112.6	L98 L102 F114 T118 C119 R120 L142 L146 V204 V208	L98-M122 HydrophobicContact CD2-CB 4.02Å; L98-M122 HydrophobicContact CD2-SD 4.23Å; L102-M122 HydrophobicContact CD1-CE 4.34Å; L102-M122 HydrophobicContact CD1-SD 3.88Å; F114-M122 HydrophobicContact CD1-CE 3.69Å; F114-M122 HydrophobicContact CD2-CE 4.02Å; F114-M122 HydrophobicContact CE1-CE 3.69Å; F114-M122 HydrophobicContact CE2-CE 3.99Å; F114-M122 HydrophobicContact CG-CE 3.86Å; F114-M122 HydrophobicContact CZ-CE 3.83Å; T118-M122 HydrophobicContact CG2-CE 3.54Å; T118-M122 VanDerWaalsContact O-CG 3.26Å; T118-M122 WeakPolarHBondContact O-CG 3.33Å; T118-M122 PolarHBondContact O-N 3.44Å; C119-M122 WeakPolarHBondContact O-CB 3.16Å; C119-M122 PolarHBondContact O-N 2.81Å; R120-M122 VanDerWaalsContact C-N 3.27Å; R120-M122 PolarHBondContact O-N 3.38Å; M122-L142 HydrophobicContact CB-CD1 3.84Å; M122-L142 HydrophobicContact CB-CD2 4.04Å; M122-L142 HydrophobicContact CG-CD1 4.03Å; M122-L142 HydrophobicContact SD-CD1 4.37Å; M122-L142 HydrophobicContact SD-CD2 4.32Å; M122-L146 HydrophobicContact CE-CD1 4.47Å; M122-L146 HydrophobicContact CE-CD2 3.44Å; M122-L146 VanDerWaalsContact CE-CD2 3.44Å; M122-L146 HydrophobicContact CG-CD2 4.49Å; M122-L146 HydrophobicContact SD-CD1 4.06Å; M122-L146 HydrophobicContact SD-CD2 3.8Å; M122-L146 HydrophobicContact SD-CG 4.48Å; M122-V204 HydrophobicContact CE-CG1 3.58Å; M122-V208 HydrophobicContact CG-CG2 3.93Å
123	I	89.3	Confident	86.3	Confident	5 Å²	5	49.3 Å²	49.3	3%	0.026	25%	0.254	C	S	.	.	H	α-helix	trans	-66.9	-52	176.3	-68	169.3	0	0	0	109.8	A95 L98 C119 R120 M125 L126 D127 M134	A95-I123 VanDerWaalsContact CA-CD1 3.44Å; A95-I123 HydrophobicContact CB-CD1 3.92Å; A95-I123 VanDerWaalsContact N-CD1 3.25Å; L98-I123 HydrophobicContact CB-CD1 4.46Å; L98-I123 HydrophobicContact CD2-CD1 4.17Å; L98-I123 HydrophobicContact CD2-CG1 3.81Å; C119-I123 WeakPolarHBondContact O-CG1 3.44Å; C119-I123 PolarHBondContact O-N 3.34Å; C119-I123 VanDerWaalsContact O-N 3.09Å; R120-I123 PolarHBondContact O-N 3.28Å; I123-M125 PolarHBondContact O-N 3.44Å; I123-M125 VanDerWaalsContact O-N 3.07Å; I123-L126 PolarHBondContact O-N 3.25Å; I123-D127 HydrophobicContact CG2-CB 4.33Å; I123-D127 VanDerWaalsContact O-CB 3.31Å; I123-D127 WeakPolarHBondContact O-CB 3.2Å; I123-D127 PolarHBondContact O-N 3.09Å; I123-M134 HydrophobicContact CB-CE 4.22Å; I123-M134 HydrophobicContact CG1-CB 4.37Å; I123-M134 HydrophobicContact CG1-CE 3.77Å; I123-M134 HydrophobicContact CG2-CB 4.47Å
124	A	86.5	Confident	86.4	Confident	25 Å²	25	45.9 Å²	45.9	21%	0.207	23%	0.232	C	C	.	.	H	α-helix	trans	-55.9	-29.4	-179.9	0	0	0	0	0	114.3	R120 I121 L126 A241	R120-A124 WeakPolarHBondContact O-CB 3.25Å; R120-A124 PolarHBondContact O-N 2.89Å; I121-A124 PolarHBondContact O-N 3.41Å; A124-L126 VanDerWaalsContact C-N 3.29Å; A124-L126 PolarHBondContact O-N 3.37Å; A124-A241 VanDerWaalsContact CB-O 3.26Å; A124-A241 WeakPolarHBondContact CB-O 3.5Å
125	M	85.5	Confident	86.4	Confident	20 Å²	20	46.6 Å²	46.6	10%	0.099	24%	0.241	C	C	.	.	H	α-helix	trans	-63	-34.7	174.8	175.8	-173.5	74.4	0	0	113	I121 I123 L142 W149 V208 R211 A212	I121-M125 PolarHBondContact O-N 3.44Å; I123-M125 PolarHBondContact O-N 3.44Å; I123-M125 VanDerWaalsContact O-N 3.07Å; M125-L142 HydrophobicContact CE-CD1 3.93Å; M125-W149 HydrophobicContact CE-CH2 3.88Å; M125-W149 HydrophobicContact SD-CH2 3.67Å; M125-W149 HydrophobicContact SD-CZ2 4.29Å; M125-V208 HydrophobicContact CB-CG1 3.67Å; M125-V208 HydrophobicContact CG-CG1 4.21Å; M125-V208 HydrophobicContact SD-CB 4.4Å; M125-V208 HydrophobicContact SD-CG1 3.76Å; M125-R211 HydrophobicContact SD-CB 4.12Å; M125-R211 HydrophobicContact SD-CG 3.99Å; M125-A212 HydrophobicContact CB-CB 4.03Å; M125-A212 HydrophobicContact CG-CB 3.92Å
126	L	82.5	Confident	86.3	Confident	8 Å²	8	45.5 Å²	45.5	4%	0.042	23%	0.23	C	C	.	.	H	α-helix	trans	-110.4	-16.3	-172.7	-65.9	173.8	0	0	0	113.4	I123 A124 R128 M134 E138 E141 L142	I123-L126 PolarHBondContact O-N 3.25Å; A124-L126 VanDerWaalsContact C-N 3.29Å; A124-L126 PolarHBondContact O-N 3.37Å; L126-R128 WeakPolarHBondContact O-CG 3.39Å; L126-R128 PolarHBondContact O-N 3.39Å; L126-M134 HydrophobicContact CB-CE 4.5Å; L126-M134 HydrophobicContact CD1-CE 4.28Å; L126-E138 HydrophobicContact CB-CB 4.08Å; L126-E138 HydrophobicContact CB-CG 4.27Å; L126-E138 VanDerWaalsContact CD1-O 3.25Å; L126-E138 WeakPolarHBondContact CD1-O 3.3Å; L126-E141 HydrophobicContact CD1-CB 4.17Å; L126-E141 HydrophobicContact CD2-CB 4.27Å; L126-L142 HydrophobicContact CD1-CB 3.51Å; L126-L142 HydrophobicContact CD1-CD1 4.25Å; L126-L142 HydrophobicContact CD1-CG 4.42Å
127	D	81.6	Confident	86.1	Confident	20 Å²	20	48.9 Å²	48.9	11%	0.107	25%	0.248	C	C	.	.			trans	-64.4	99.5	174	-179.4	4	0	0	0	110.1	I123 D129 F130 T131 G132	I123-D127 HydrophobicContact CG2-CB 4.33Å; I123-D127 VanDerWaalsContact O-CB 3.31Å; I123-D127 WeakPolarHBondContact O-CB 3.2Å; I123-D127 PolarHBondContact O-N 3.09Å; D127-D129 PolarHBondContact OD1-N 2.88Å; D127-F130 VanDerWaalsContact OD1-CA 3.24Å; D127-F130 WeakPolarHBondContact OD1-CA 3.35Å; D127-F130 PolarHBondContact OD1-N 3.23Å; D127-F130 WeakPolarHBondContact OD2-CA 3.47Å; D127-T131 PolarHBondContact OD1-N 2.8Å; D127-T131 VanDerWaalsContact OD1-N 3.09Å; D127-T131 PolarHBondContact OD1-OG1 3.42Å; D127-T131 PolarHBondContact OD2-N 2.85Å; D127-G132 VanDerWaalsContact OD2-CA 3.28Å; D127-G132 WeakPolarHBondContact OD2-CA 3.42Å; D127-G132 PolarHBondContact OD2-N 2.92Å
128	R	74.2	Confident	86	Confident	141 Å²	141	45.3 Å²	45.3	53%	0.532	23%	0.232	S	C	.	.	S	Bend	trans	-88.1	-19.8	-177.8	-65.4	175.5	-165.8	175.1	8	112.5	L126 E141	L126-R128 WeakPolarHBondContact O-CG 3.39Å; L126-R128 PolarHBondContact O-N 3.39Å; R128-E141 IonicContact NH2-OE1 2.82Å; R128-E141 PolarHBondContact NH2-OE1 3.45Å; R128-E141 IonicContact NH2-OE2 3.54Å; R128-E141 PolarHBondContact NH2-OE2 2.74Å; R128-E141 VanDerWaalsContact NH2-OE2 3.16Å
129	D	77.6	Confident	85.9	Confident	97 Å²	97	45.3 Å²	45.3	52%	0.519	23%	0.232	S	C	.	.	S	Bend	trans	-108.6	2.3	-175.1	58.5	6.3	0	0	0	113.5	D127 T131	D127-D129 PolarHBondContact OD1-N 2.88Å; D129-T131 HydrophobicContact CB-CG2 4.28Å; D129-T131 PolarHBondContact O-N 2.84Å; D129-T131 WeakPolarHBondContact OD1-CB 3.34Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.35Å; D129-T131 PolarHBondContact OD1-N 3.43Å; D129-T131 PolarHBondContact OD1-OG1 2.76Å; D129-T131 WeakPolarHBondContact OD2-CG2 3.48Å
130	F	79.1	Confident	85.7	Confident	131 Å²	131	48.7 Å²	48.7	58%	0.575	25%	0.246	S	C	*	.			trans	59.7	32.5	179	-56.3	-79.8	0	0	0	112.7	D127 G132 L237 A241	D127-F130 VanDerWaalsContact OD1-CA 3.24Å; D127-F130 WeakPolarHBondContact OD1-CA 3.35Å; D127-F130 PolarHBondContact OD1-N 3.23Å; D127-F130 WeakPolarHBondContact OD2-CA 3.47Å; F130-G132 PolarHBondContact O-N 3.36Å; F130-L237 HydrophobicContact CE1-CD1 4.23Å; F130-L237 HydrophobicContact CZ-CD1 4.28Å; F130-L237 HydrophobicContact CZ-CD2 4.42Å; F130-L237 HydrophobicContact CZ-CG 4.36Å; F130-A241 HydrophobicContact CD1-CB 4.18Å; F130-A241 HydrophobicContact CE1-CB 3.81Å
131	T	82.3	Confident	85.6	Confident	63 Å²	63	46.3 Å²	46.3	39%	0.387	24%	0.241	S	C	.	.			trans	-72.2	-19	175.9	52.1	0	0	0	0	112.2	D127 D129 K133	D127-T131 PolarHBondContact OD1-N 2.8Å; D127-T131 VanDerWaalsContact OD1-N 3.09Å; D127-T131 PolarHBondContact OD1-OG1 3.42Å; D127-T131 PolarHBondContact OD2-N 2.85Å; D129-T131 HydrophobicContact CB-CG2 4.28Å; D129-T131 PolarHBondContact O-N 2.84Å; D129-T131 WeakPolarHBondContact OD1-CB 3.34Å; D129-T131 WeakPolarHBondContact OD1-CG2 3.35Å; D129-T131 PolarHBondContact OD1-N 3.43Å; D129-T131 PolarHBondContact OD1-OG1 2.76Å; D129-T131 WeakPolarHBondContact OD2-CG2 3.48Å; T131-K133 PolarHBondContact O-N 3.32Å; T131-K133 PolarHBondContact OG1-N 2.82Å; T131-K133 PolarHBondContact OG1-O 3.32Å
132	G	82.9	Confident	85.6	Confident	46 Å²	46	45.7 Å²	45.7	47%	0.474	24%	0.238	S	C	.	.	S	Bend	trans	72.2	11	-171.6	0	0	0	0	0	112.9	D127 F130	D127-G132 VanDerWaalsContact OD2-CA 3.28Å; D127-G132 WeakPolarHBondContact OD2-CA 3.42Å; D127-G132 PolarHBondContact OD2-N 2.92Å; F130-G132 PolarHBondContact O-N 3.36Å
133	K	87.3	Confident	85.4	Confident	66 Å²	66	47.8 Å²	47.8	29%	0.287	25%	0.247	S	C	.	.	S	Bend	trans	-131.8	168.7	-177.1	-64.9	-176.3	177.5	179.5	0	110.2	D90 E92 T131	D90-K133 IonicContact OD2-NZ 3.16Å; D90-K133 PolarHBondContact OD2-NZ 3.29Å; E92-K133 HydrophobicContact CB-CB 3.89Å; E92-K133 HydrophobicContact CB-CD 4.07Å; E92-K133 WeakPolarHBondContact OE2-CB 3.39Å; E92-K133 VanDerWaalsContact OE2-CD 3.25Å; E92-K133 WeakPolarHBondContact OE2-CD 3.32Å; T131-K133 PolarHBondContact O-N 3.32Å; T131-K133 PolarHBondContact OG1-N 2.82Å; T131-K133 PolarHBondContact OG1-O 3.32Å
134	M	89.9	Confident	85.4	Confident	1 Å²	1	50 Å²	50	1%	0.005	27%	0.266	C	S	.	.	B	Isolated β-bridge	trans	-125.3	123.5	-173.4	-176.5	177.9	-68.5	0	0	111.4	V93 I123 L126 E138 F139 L142	V93-M134 HydrophobicContact CB-CB 4.32Å; V93-M134 PolarHBondContact N-O 3.07Å; V93-M134 PolarHBondContact O-N 3.34Å; I123-M134 HydrophobicContact CB-CE 4.22Å; I123-M134 HydrophobicContact CG1-CB 4.37Å; I123-M134 HydrophobicContact CG1-CE 3.77Å; I123-M134 HydrophobicContact CG2-CB 4.47Å; L126-M134 HydrophobicContact CB-CE 4.5Å; L126-M134 HydrophobicContact CD1-CE 4.28Å; M134-E138 HydrophobicContact CG-CB 3.59Å; M134-E138 HydrophobicContact SD-CB 4.43Å; M134-F139 HydrophobicContact CG-CB 4.26Å; M134-F139 WeakPolarHBondContact SD-CA 3.36Å; M134-F139 HydrophobicContact SD-CB 3.93Å; M134-F139 HydrophobicContact SD-CD2 4.16Å; M134-L142 HydrophobicContact CE-CB 4.23Å; M134-L142 HydrophobicContact CE-CD2 3.57Å; M134-L142 HydrophobicContact CE-CG 4.39Å; M134-L142 HydrophobicContact SD-CB 4.22Å; M134-L142 HydrophobicContact SD-CD2 3.88Å
135	G	89.6	Confident	85.5	Confident	19 Å²	19	49 Å²	49	20%	0.196	26%	0.258	C	S	.	.			trans	-81	173.3	171	0	0	0	0	0	112.9	N137 E138 F139	G135-N137 PolarHBondContact O-N 3.03Å; G135-E138 PolarHBondContact N-OE2 2.9Å; G135-E138 PolarHBondContact O-N 2.98Å; G135-F139 WeakPolarHBondContact O-CB 3.36Å; G135-F139 PolarHBondContact O-N 3.17Å
136	F	88.1	Confident	85.6	Confident	20 Å²	20	48.1 Å²	48.1	9%	0.088	25%	0.253	C	S	.	.	H	α-helix	trans	-61.9	-40.2	-174.8	178.1	-120.6	0	0	0	114.8	A74 D77 M79 W80 F83 E138 F139 K140	A74-F136 HydrophobicContact CB-CD1 3.73Å; A74-F136 HydrophobicContact CB-CE1 3.69Å; D77-F136 HydrophobicContact CB-CE1 4.21Å; D77-F136 HydrophobicContact CB-CZ 3.82Å; M79-F136 HydrophobicContact CB-CE2 3.98Å; M79-F136 HydrophobicContact CB-CZ 4.24Å; W80-F136 HydrophobicContact CB-CE2 4.1Å; W80-F136 HydrophobicContact CB-CZ 3.9Å; W80-F136 HydrophobicContact CE3-CB 4.09Å; W80-F136 AromaticContact CE3-CD1 3.55Å; W80-F136 HydrophobicContact CE3-CD1 3.55Å; W80-F136 AromaticContact CE3-CD2 3.59Å; W80-F136 HydrophobicContact CE3-CD2 3.59Å; W80-F136 AromaticContact CE3-CE1 3.77Å; W80-F136 HydrophobicContact CE3-CE1 3.77Å; W80-F136 AromaticContact CE3-CE2 3.83Å; W80-F136 HydrophobicContact CE3-CE2 3.83Å; W80-F136 AromaticContact CE3-CG 3.44Å; W80-F136 HydrophobicContact CE3-CG 3.44Å; W80-F136 VanDerWaalsContact CE3-CG 3.44Å; W80-F136 AromaticContact CE3-CZ 3.9Å; W80-F136 HydrophobicContact CE3-CZ 3.9Å; W80-F136 HydrophobicContact CZ3-CB 3.67Å; W80-F136 AromaticContact CZ3-CD1 3.79Å; W80-F136 HydrophobicContact CZ3-CD1 3.79Å; W80-F136 HydrophobicContact CZ3-CD2 4.07Å; W80-F136 HydrophobicContact CZ3-CE1 4.45Å; W80-F136 AromaticContact CZ3-CG 3.56Å; W80-F136 HydrophobicContact CZ3-CG 3.56Å; F83-F136 HydrophobicContact CB-CD2 3.57Å; F83-F136 HydrophobicContact CB-CE2 3.93Å; F83-F136 HydrophobicContact CD1-CB 3.99Å; F83-F136 AromaticContact CD1-CD2 3.88Å; F83-F136 HydrophobicContact CD1-CD2 3.88Å; F83-F136 HydrophobicContact CD1-CG 4.3Å; F83-F136 HydrophobicContact CD2-CB 4.28Å; F83-F136 AromaticContact CD2-CD2 3.99Å; F83-F136 HydrophobicContact CD2-CD2 3.99Å; F83-F136 HydrophobicContact CE1-CB 3.89Å; F83-F136 HydrophobicContact CE2-CB 4.16Å; F83-F136 HydrophobicContact CG-CB 4.2Å; F83-F136 AromaticContact CG-CD2 3.53Å; F83-F136 HydrophobicContact CG-CD2 3.53Å; F83-F136 HydrophobicContact CG-CE2 4.39Å; F83-F136 HydrophobicContact CG-CG 4.32Å; F83-F136 HydrophobicContact CZ-CB 3.97Å; F136-E138 VanDerWaalsContact C-N 3.34Å; F136-F139 WeakPolarHBondContact O-CB 3.36Å; F136-F139 PolarHBondContact O-N 3.07Å; F136-K140 HydrophobicContact CD1-CD 4.24Å; F136-K140 HydrophobicContact CE1-CD 3.6Å; F136-K140 HydrophobicContact CE1-CG 4.38Å; F136-K140 HydrophobicContact CE2-CD 4.1Å; F136-K140 HydrophobicContact CE2-CG 4.01Å; F136-K140 HydrophobicContact CZ-CD 3.53Å; F136-K140 HydrophobicContact CZ-CG 3.94Å; F136-K140 PolarHBondContact O-N 3.07Å; F136-K140 VanDerWaalsContact O-N 3.07Å
137	N	87.5	Confident	86	Confident	116 Å²	116	50.6 Å²	50.6	62%	0.62	27%	0.267	S	S	*	.	H	α-helix	trans	-66.1	-40.4	-179.7	-70.3	-38.1	0	0	0	111.4	G135 K140 E141	G135-N137 PolarHBondContact O-N 3.03Å; N137-K140 PolarHBondContact O-N 2.89Å; N137-E141 PolarHBondContact O-N 3.12Å; N137-E141 VanDerWaalsContact O-N 3.14Å
138	E	88.3	Confident	86.3	Confident	31 Å²	31	50 Å²	50	15%	0.145	27%	0.265	C	S	.	.	H	α-helix	trans	-66.5	-40.7	175.4	-66.8	161.1	166.2	0	0	110.6	L126 M134 G135 F136 K140 E141 L142	L126-E138 HydrophobicContact CB-CB 4.08Å; L126-E138 HydrophobicContact CB-CG 4.27Å; L126-E138 VanDerWaalsContact CD1-O 3.25Å; L126-E138 WeakPolarHBondContact CD1-O 3.3Å; M134-E138 HydrophobicContact CG-CB 3.59Å; M134-E138 HydrophobicContact SD-CB 4.43Å; G135-E138 PolarHBondContact N-OE2 2.9Å; G135-E138 PolarHBondContact O-N 2.98Å; F136-E138 VanDerWaalsContact C-N 3.34Å; E138-K140 VanDerWaalsContact C-N 3.3Å; E138-K140 PolarHBondContact O-N 3.35Å; E138-E141 PolarHBondContact O-N 2.82Å; E138-E141 VanDerWaalsContact O-N 3.12Å; E138-L142 PolarHBondContact O-N 3.12Å
139	F	87.9	Confident	87.1	Confident	2 Å²	2	43.6 Å²	43.6	1%	0.009	24%	0.241	C	C	.	.	H	α-helix	trans	-56.4	-43.2	174.5	-178.4	-97.5	0	0	0	112.6	F83 I86 L98 M134 G135 F136 L142 F143	F83-F139 HydrophobicContact CB-CD1 4.19Å; F83-F139 HydrophobicContact CB-CE1 4.39Å; F83-F139 HydrophobicContact CD2-CB 3.8Å; F83-F139 HydrophobicContact CD2-CD1 4.16Å; F83-F139 HydrophobicContact CD2-CD2 4.35Å; F83-F139 AromaticContact CD2-CG 3.85Å; F83-F139 HydrophobicContact CD2-CG 3.85Å; F83-F139 HydrophobicContact CE2-CB 4.19Å; I86-F139 HydrophobicContact CD1-CD2 4.3Å; I86-F139 HydrophobicContact CD1-CE2 3.64Å; I86-F139 HydrophobicContact CD1-CZ 4.11Å; L98-F139 HydrophobicContact CD1-CD2 4.49Å; L98-F139 HydrophobicContact CD1-CE2 4.19Å; M134-F139 HydrophobicContact CG-CB 4.26Å; M134-F139 WeakPolarHBondContact SD-CA 3.36Å; M134-F139 HydrophobicContact SD-CB 3.93Å; M134-F139 HydrophobicContact SD-CD2 4.16Å; G135-F139 WeakPolarHBondContact O-CB 3.36Å; G135-F139 PolarHBondContact O-N 3.17Å; F136-F139 WeakPolarHBondContact O-CB 3.36Å; F136-F139 PolarHBondContact O-N 3.07Å; F139-L142 PolarHBondContact O-N 3.07Å; F139-F143 HydrophobicContact CZ-CD2 4.26Å; F139-F143 WeakPolarHBondContact O-CB 3.34Å; F139-F143 PolarHBondContact O-N 3.41Å
140	K	87.6	Confident	87.6	Confident	72 Å²	72	41 Å²	41	31%	0.313	23%	0.225	S	C	.	.	H	α-helix	trans	-63.1	-45.2	174.8	-72.6	175.6	46.6	164.9	0	112.6	D77 M79 F136 N137 E138 L142 F143 A144	D77-K140 WeakPolarHBondContact OD2-CD 3.48Å; D77-K140 VanDerWaalsContact OD2-CE 3.3Å; D77-K140 WeakPolarHBondContact OD2-CE 3.4Å; D77-K140 IonicContact OD2-NZ 3.53Å; D77-K140 PolarHBondContact OD2-NZ 3.36Å; M79-K140 HydrophobicContact CB-CG 4.2Å; M79-K140 HydrophobicContact SD-CB 4.23Å; M79-K140 HydrophobicContact SD-CG 3.81Å; F136-K140 HydrophobicContact CD1-CD 4.24Å; F136-K140 HydrophobicContact CE1-CD 3.6Å; F136-K140 HydrophobicContact CE1-CG 4.38Å; F136-K140 HydrophobicContact CE2-CD 4.1Å; F136-K140 HydrophobicContact CE2-CG 4.01Å; F136-K140 HydrophobicContact CZ-CD 3.53Å; F136-K140 HydrophobicContact CZ-CG 3.94Å; F136-K140 PolarHBondContact O-N 3.07Å; F136-K140 VanDerWaalsContact O-N 3.07Å; N137-K140 PolarHBondContact O-N 2.89Å; E138-K140 VanDerWaalsContact C-N 3.3Å; E138-K140 PolarHBondContact O-N 3.35Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 3.47Å; K140-F143 PolarHBondContact O-N 3.32Å; K140-A144 PolarHBondContact O-N 2.93Å; K140-A144 VanDerWaalsContact O-N 3.07Å
141	E	88.4	Confident	88.2	Confident	76 Å²	76	40.8 Å²	40.8	36%	0.355	23%	0.226	S	C	.	.	H	α-helix	trans	-61.1	-40.9	177	-73	-175.8	-163.6	0	0	111.2	L126 R128 N137 E138 A145	L126-E141 HydrophobicContact CD1-CB 4.17Å; L126-E141 HydrophobicContact CD2-CB 4.27Å; R128-E141 IonicContact NH2-OE1 2.82Å; R128-E141 PolarHBondContact NH2-OE1 3.45Å; R128-E141 IonicContact NH2-OE2 3.54Å; R128-E141 PolarHBondContact NH2-OE2 2.74Å; R128-E141 VanDerWaalsContact NH2-OE2 3.16Å; N137-E141 PolarHBondContact O-N 3.12Å; N137-E141 VanDerWaalsContact O-N 3.14Å; E138-E141 PolarHBondContact O-N 2.82Å; E138-E141 VanDerWaalsContact O-N 3.12Å; E141-A145 WeakPolarHBondContact O-CB 3.35Å; E141-A145 PolarHBondContact O-N 3.12Å; E141-A145 VanDerWaalsContact O-N 3.12Å
142	L	89.5	Confident	88.5	Confident	1 Å²	1	38.9 Å²	38.9	1%	0.005	21%	0.213	C	C	.	.	H	α-helix	trans	-61.9	-50.8	175.6	-177.1	60.9	0	0	0	110.8	L98 M122 M125 L126 M134 E138 F139 K140 A144 A145 L146	L98-L142 HydrophobicContact CD1-CD2 3.83Å; L98-L142 HydrophobicContact CD2-CD2 3.74Å; L98-L142 HydrophobicContact CG-CD2 4.44Å; M122-L142 HydrophobicContact CB-CD1 3.84Å; M122-L142 HydrophobicContact CB-CD2 4.04Å; M122-L142 HydrophobicContact CG-CD1 4.03Å; M122-L142 HydrophobicContact SD-CD1 4.37Å; M122-L142 HydrophobicContact SD-CD2 4.32Å; M125-L142 HydrophobicContact CE-CD1 3.93Å; L126-L142 HydrophobicContact CD1-CB 3.51Å; L126-L142 HydrophobicContact CD1-CD1 4.25Å; L126-L142 HydrophobicContact CD1-CG 4.42Å; M134-L142 HydrophobicContact CE-CB 4.23Å; M134-L142 HydrophobicContact CE-CD2 3.57Å; M134-L142 HydrophobicContact CE-CG 4.39Å; M134-L142 HydrophobicContact SD-CB 4.22Å; M134-L142 HydrophobicContact SD-CD2 3.88Å; E138-L142 PolarHBondContact O-N 3.12Å; F139-L142 PolarHBondContact O-N 3.07Å; K140-L142 VanDerWaalsContact C-N 3.3Å; K140-L142 PolarHBondContact O-N 3.47Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.28Å; L142-A145 WeakPolarHBondContact O-CB 3.35Å; L142-A145 PolarHBondContact O-N 3.09Å; L142-A145 VanDerWaalsContact O-N 3.09Å; L142-L146 HydrophobicContact CD1-CD1 4.11Å; L142-L146 HydrophobicContact CD1-CD2 4.45Å; L142-L146 HydrophobicContact CD1-CG 3.97Å; L142-L146 HydrophobicContact CD2-CD1 4.17Å; L142-L146 HydrophobicContact CG-CD1 3.74Å; L142-L146 HydrophobicContact CG-CG 4.06Å; L142-L146 WeakPolarHBondContact O-CB 3.38Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.46Å
143	F	87.8	Confident	88.9	Confident	44 Å²	44	36.7 Å²	36.7	19%	0.193	19%	0.19	C	C	.	.	H	α-helix	trans	-63.2	-39	-174.5	-153.8	-87.9	0	0	0	111.7	M79 L102 F107 F139 K140 N147	M79-F143 HydrophobicContact CE-CB 3.84Å; M79-F143 HydrophobicContact CE-CD1 3.27Å; M79-F143 HydrophobicContact CE-CE1 4.02Å; M79-F143 HydrophobicContact CE-CG 3.76Å; M79-F143 HydrophobicContact SD-CB 4.08Å; M79-F143 HydrophobicContact SD-CD1 4.42Å; M79-F143 HydrophobicContact SD-CG 4.37Å; L102-F143 HydrophobicContact CD2-CE2 4.45Å; F107-F143 HydrophobicContact CD2-CE2 4.08Å; F107-F143 AromaticContact CD2-CZ 3.95Å; F107-F143 HydrophobicContact CD2-CZ 3.95Å; F107-F143 HydrophobicContact CE2-CE1 4.46Å; F107-F143 HydrophobicContact CE2-CZ 4.28Å; F139-F143 HydrophobicContact CZ-CD2 4.26Å; F139-F143 WeakPolarHBondContact O-CB 3.34Å; F139-F143 PolarHBondContact O-N 3.41Å; K140-F143 PolarHBondContact O-N 3.32Å; F143-N147 WeakPolarHBondContact CD1-ND2 3.15Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.45Å; F143-N147 PolarHBondContact O-N 2.89Å; F143-N147 VanDerWaalsContact O-N 3.14Å; F143-N147 PolarHBondContact O-ND2 2.9Å
144	A	88.4	Confident	89	Confident	51 Å²	51	38.2 Å²	38.2	42%	0.421	20%	0.2	S	C	.	.	H	α-helix	trans	-62.5	-44.1	173.1	0	0	0	0	0	112	K140 L142 N147 G148	K140-A144 PolarHBondContact O-N 2.93Å; K140-A144 VanDerWaalsContact O-N 3.07Å; L142-A144 VanDerWaalsContact C-N 3.31Å; L142-A144 PolarHBondContact O-N 3.28Å; A144-N147 PolarHBondContact O-N 2.99Å; A144-G148 PolarHBondContact O-N 2.84Å; A144-G148 VanDerWaalsContact O-N 3.16Å
145	A	88.7	Confident	89	Confident	5 Å²	5	44.4 Å²	44.4	4%	0.041	23%	0.23	C	C	.	.	H	α-helix	trans	-64.6	-45.8	178.8	0	0	0	0	0	112.8	E141 L142 N147 G148 W149	E141-A145 WeakPolarHBondContact O-CB 3.35Å; E141-A145 PolarHBondContact O-N 3.12Å; E141-A145 VanDerWaalsContact O-N 3.12Å; L142-A145 WeakPolarHBondContact O-CB 3.35Å; L142-A145 PolarHBondContact O-N 3.09Å; L142-A145 VanDerWaalsContact O-N 3.09Å; A145-N147 VanDerWaalsContact C-N 3.28Å; A145-N147 PolarHBondContact O-N 3.4Å; A145-G148 PolarHBondContact O-N 3.16Å; A145-G148 VanDerWaalsContact O-N 3.09Å; A145-W149 HydrophobicContact CB-CE3 4.44Å; A145-W149 HydrophobicContact CB-CH2 3.9Å; A145-W149 HydrophobicContact CB-CZ2 4.24Å; A145-W149 HydrophobicContact CB-CZ3 3.99Å; A145-W149 PolarHBondContact O-N 3.36Å
146	L	89.5	Confident	88.8	Confident	1 Å²	1	45 Å²	45	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-58	-42.2	177.2	-73	174.2	0	0	0	111.1	L102 F107 F114 M122 L142 G148 W149 K150 V204	L102-L146 HydrophobicContact CD1-CD1 4.16Å; L102-L146 HydrophobicContact CD2-CD1 3.83Å; F107-L146 HydrophobicContact CE1-CB 3.88Å; F107-L146 HydrophobicContact CE2-CB 4.02Å; F107-L146 VanDerWaalsContact CZ-C 3.5Å; F107-L146 HydrophobicContact CZ-CB 3.41Å; F107-L146 VanDerWaalsContact CZ-CB 3.41Å; F114-L146 HydrophobicContact CZ-CD2 4.41Å; M122-L146 HydrophobicContact CE-CD1 4.47Å; M122-L146 HydrophobicContact CE-CD2 3.44Å; M122-L146 VanDerWaalsContact CE-CD2 3.44Å; M122-L146 HydrophobicContact CG-CD2 4.49Å; M122-L146 HydrophobicContact SD-CD1 4.06Å; M122-L146 HydrophobicContact SD-CD2 3.8Å; M122-L146 HydrophobicContact SD-CG 4.48Å; L142-L146 HydrophobicContact CD1-CD1 4.11Å; L142-L146 HydrophobicContact CD1-CD2 4.45Å; L142-L146 HydrophobicContact CD1-CG 3.97Å; L142-L146 HydrophobicContact CD2-CD1 4.17Å; L142-L146 HydrophobicContact CG-CD1 3.74Å; L142-L146 HydrophobicContact CG-CG 4.06Å; L142-L146 WeakPolarHBondContact O-CB 3.38Å; L142-L146 WeakPolarHBondContact O-CG 3.41Å; L142-L146 PolarHBondContact O-N 3.46Å; L146-G148 VanDerWaalsContact C-N 3.34Å; L146-G148 PolarHBondContact O-N 2.83Å; L146-W149 HydrophobicContact CD2-CE3 3.9Å; L146-W149 HydrophobicContact CD2-CZ3 3.94Å; L146-W149 HydrophobicContact CG-CE3 4.48Å; L146-W149 HydrophobicContact CG-CZ3 4.4Å; L146-W149 PolarHBondContact O-N 3.36Å; L146-K150 WeakPolarHBondContact O-CB 3.25Å; L146-K150 PolarHBondContact O-N 3.06Å; L146-V204 HydrophobicContact CD2-CG1 3.7Å
147	N	89	Confident	88.7	Confident	60 Å²	60	44.2 Å²	44.2	32%	0.321	22%	0.224	S	C	.	.	H	α-helix	trans	-62.5	-41.6	176	-79.1	-55.3	0	0	0	111.9	F107 F143 A144 A145 K150 Q151	F107-N147 WeakPolarHBondContact CE2-OD1 3.26Å; F143-N147 WeakPolarHBondContact CD1-ND2 3.15Å; F143-N147 WeakPolarHBondContact CE1-ND2 3.45Å; F143-N147 PolarHBondContact O-N 2.89Å; F143-N147 VanDerWaalsContact O-N 3.14Å; F143-N147 PolarHBondContact O-ND2 2.9Å; A144-N147 PolarHBondContact O-N 2.99Å; A145-N147 VanDerWaalsContact C-N 3.28Å; A145-N147 PolarHBondContact O-N 3.4Å; N147-K150 PolarHBondContact O-N 2.82Å; N147-Q151 WeakPolarHBondContact O-CB 3.44Å; N147-Q151 WeakPolarHBondContact O-CG 3.47Å; N147-Q151 PolarHBondContact O-N 3.14Å
148	G	89.1	Confident	88.3	Confident	7 Å²	7	46.8 Å²	46.8	7%	0.072	23%	0.233	C	C	.	.	H	α-helix	trans	-60.1	-46.8	175	0	0	0	0	0	112.7	A144 A145 L146 Q151 N152	A144-G148 PolarHBondContact O-N 2.84Å; A144-G148 VanDerWaalsContact O-N 3.16Å; A145-G148 PolarHBondContact O-N 3.16Å; A145-G148 VanDerWaalsContact O-N 3.09Å; L146-G148 VanDerWaalsContact C-N 3.34Å; L146-G148 PolarHBondContact O-N 2.83Å; G148-Q151 PolarHBondContact O-N 2.97Å; G148-N152 PolarHBondContact O-N 3.09Å
149	W	90.6	Very high	88.1	Confident	6 Å²	6	51 Å²	51	2%	0.023	26%	0.256	C	S	.	.	H	α-helix	trans	-67.2	-38.4	177	-62.1	-41.4	0	0	0	112.7	M125 A145 L146 N152 F153 Y203 V204 C207 V208 R211	M125-W149 HydrophobicContact CE-CH2 3.88Å; M125-W149 HydrophobicContact SD-CH2 3.67Å; M125-W149 HydrophobicContact SD-CZ2 4.29Å; A145-W149 HydrophobicContact CB-CE3 4.44Å; A145-W149 HydrophobicContact CB-CH2 3.9Å; A145-W149 HydrophobicContact CB-CZ2 4.24Å; A145-W149 HydrophobicContact CB-CZ3 3.99Å; A145-W149 PolarHBondContact O-N 3.36Å; L146-W149 HydrophobicContact CD2-CE3 3.9Å; L146-W149 HydrophobicContact CD2-CZ3 3.94Å; L146-W149 HydrophobicContact CG-CE3 4.48Å; L146-W149 HydrophobicContact CG-CZ3 4.4Å; L146-W149 PolarHBondContact O-N 3.36Å; W149-N152 PolarHBondContact O-N 3.16Å; W149-F153 WeakPolarHBondContact O-CB 3.49Å; W149-F153 PolarHBondContact O-N 2.98Å; W149-Y203 HydrophobicContact CB-CE1 4.3Å; W149-V204 HydrophobicContact CE3-CG1 4.16Å; W149-C207 HydrophobicContact CD2-CB 3.89Å; W149-C207 HydrophobicContact CG-CB 3.89Å; W149-C207 HydrophobicContact CZ2-CB 4.34Å; W149-V208 HydrophobicContact CE3-CG2 4.07Å; W149-V208 HydrophobicContact CH2-CB 4.12Å; W149-V208 HydrophobicContact CH2-CG2 3.46Å; W149-V208 VanDerWaalsContact CH2-CG2 3.46Å; W149-V208 HydrophobicContact CZ2-CG2 4.4Å; W149-V208 HydrophobicContact CZ3-CB 4.39Å; W149-V208 HydrophobicContact CZ3-CG2 3.27Å; W149-R211 HydrophobicContact CZ2-CB 4.26Å
150	K	89.3	Confident	87.9	Confident	44 Å²	44	60.4 Å²	60.4	19%	0.191	29%	0.291	C	S	.	.	H	α-helix	trans	-61.4	-46.5	175	-175.6	179.2	176.6	-177.6	0	111.4	F107 L146 N147 N152 F153 M154 F200	F107-K150 HydrophobicContact CE1-CB 4.35Å; F107-K150 HydrophobicContact CE1-CD 4.08Å; F107-K150 HydrophobicContact CZ-CB 4.29Å; F107-K150 HydrophobicContact CZ-CD 4.15Å; F107-K150 WeakPolarHBondContact O-CE 3.24Å; F107-K150 PolarHBondContact O-NZ 3.14Å; L146-K150 WeakPolarHBondContact O-CB 3.25Å; L146-K150 PolarHBondContact O-N 3.06Å; N147-K150 PolarHBondContact O-N 2.82Å; K150-N152 VanDerWaalsContact C-N 3.33Å; K150-N152 PolarHBondContact O-N 2.9Å; K150-F153 PolarHBondContact O-N 3.42Å; K150-M154 HydrophobicContact CG-SD 4.13Å; K150-M154 VanDerWaalsContact O-CG 3.26Å; K150-M154 WeakPolarHBondContact O-CG 3.43Å; K150-M154 PolarHBondContact O-N 3.18Å; K150-F200 HydrophobicContact CB-CE2 4.27Å; K150-F200 HydrophobicContact CB-CZ 4.07Å; K150-F200 HydrophobicContact CG-CE2 4.28Å; K150-F200 HydrophobicContact CG-CZ 4.06Å
151	Q	90.3	Very high	87.8	Confident	125 Å²	125	59.5 Å²	59.5	58%	0.584	29%	0.294	S	S	*	.	H	α-helix	trans	-61.5	-42.5	176	-74.5	179.6	-14.7	0	0	111.8	N147 G148 M154 M155	N147-Q151 WeakPolarHBondContact O-CB 3.44Å; N147-Q151 WeakPolarHBondContact O-CG 3.47Å; N147-Q151 PolarHBondContact O-N 3.14Å; G148-Q151 PolarHBondContact O-N 2.97Å; Q151-M154 PolarHBondContact O-N 3.46Å; Q151-M155 WeakPolarHBondContact O-CG 3.28Å; Q151-M155 PolarHBondContact O-N 3.44Å
152	N	89.8	Confident	87.8	Confident	23 Å²	23	56.3 Å²	56.3	12%	0.123	28%	0.282	C	S	.	.	H	α-helix	trans	-61.9	-46.9	176.2	-166.8	-100	0	0	0	111.3	G148 W149 K150 M154 M155 F156 A172 Y203	G148-N152 PolarHBondContact O-N 3.09Å; W149-N152 PolarHBondContact O-N 3.16Å; K150-N152 VanDerWaalsContact C-N 3.33Å; K150-N152 PolarHBondContact O-N 2.9Å; N152-M154 VanDerWaalsContact C-N 3.34Å; N152-M154 PolarHBondContact O-N 3.37Å; N152-M155 WeakPolarHBondContact O-CB 3.28Å; N152-M155 PolarHBondContact O-N 3.43Å; N152-M155 VanDerWaalsContact O-N 3.11Å; N152-F156 WeakPolarHBondContact O-CD2 3.38Å; N152-A172 WeakPolarHBondContact OD1-CB 3.41Å; N152-Y203 PolarHBondContact OD1-OH 3.2Å
153	F	89.7	Confident	87.9	Confident	0 Å²	0	56.7 Å²	56.7	0%	0	28%	0.284	C	S	.	.	H	α-helix	trans	-56.2	-47	176.2	-173.8	-92.8	0	0	0	112.1	Y111 W149 K150 M155 F156 D157 V164 F200 Y203	Y111-F153 HydrophobicContact CE1-CE1 4.09Å; Y111-F153 HydrophobicContact CE2-CD1 4.23Å; Y111-F153 HydrophobicContact CE2-CE1 4.33Å; Y111-F153 AromaticContact CZ-CE1 3.88Å; W149-F153 WeakPolarHBondContact O-CB 3.49Å; W149-F153 PolarHBondContact O-N 2.98Å; K150-F153 PolarHBondContact O-N 3.42Å; F153-M155 PolarHBondContact O-N 2.93Å; F153-F156 PolarHBondContact O-N 2.99Å; F153-D157 HydrophobicContact CD1-CB 3.94Å; F153-D157 HydrophobicContact CE1-CB 3.64Å; F153-D157 HydrophobicContact CZ-CB 4.29Å; F153-D157 PolarHBondContact O-N 3.49Å; F153-V164 HydrophobicContact CD2-CG1 3.9Å; F153-V164 HydrophobicContact CE2-CB 4.29Å; F153-V164 HydrophobicContact CE2-CG1 3.54Å; F153-V164 HydrophobicContact CE2-CG2 3.96Å; F153-V164 HydrophobicContact CZ-CG1 3.93Å; F153-F200 HydrophobicContact CB-CD2 4.13Å; F153-F200 HydrophobicContact CB-CE2 4.12Å; F153-F200 AromaticContact CD1-CD2 3.64Å; F153-F200 HydrophobicContact CD1-CD2 3.64Å; F153-F200 HydrophobicContact CD1-CE2 4.29Å; F153-F200 AromaticContact CD2-CD2 3.94Å; F153-F200 HydrophobicContact CD2-CD2 3.94Å; F153-F200 HydrophobicContact CE1-CB 4.11Å; F153-F200 AromaticContact CE1-CD2 3.95Å; F153-F200 HydrophobicContact CE1-CD2 3.95Å; F153-F200 HydrophobicContact CE1-CG 4.44Å; F153-F200 HydrophobicContact CE2-CB 4.32Å; F153-F200 HydrophobicContact CE2-CD2 4.2Å; F153-F200 AromaticContact CG-CD2 3.63Å; F153-F200 HydrophobicContact CG-CD2 3.63Å; F153-F200 HydrophobicContact CG-CE2 4.12Å; F153-F200 HydrophobicContact CZ-CB 3.92Å; F153-F200 HydrophobicContact CZ-CD2 4.21Å; F153-Y203 HydrophobicContact CB-CD1 4.1Å; F153-Y203 HydrophobicContact CB-CE1 3.85Å; F153-Y203 AromaticContact CD2-CD1 3.55Å; F153-Y203 HydrophobicContact CD2-CD1 3.55Å; F153-Y203 AromaticContact CD2-CD2 3.81Å; F153-Y203 HydrophobicContact CD2-CD2 3.81Å; F153-Y203 HydrophobicContact CD2-CE1 4.03Å; F153-Y203 HydrophobicContact CD2-CE2 4.25Å; F153-Y203 AromaticContact CD2-CG 3.45Å; F153-Y203 HydrophobicContact CD2-CG 3.45Å; F153-Y203 VanDerWaalsContact CD2-CG 3.45Å; F153-Y203 HydrophobicContact CE2-CD1 4.41Å; F153-Y203 HydrophobicContact CE2-CD2 4.33Å; F153-Y203 AromaticContact CE2-CG 3.96Å; F153-Y203 HydrophobicContact CE2-CG 3.96Å; F153-Y203 HydrophobicContact CG-CD1 4.24Å; F153-Y203 HydrophobicContact CG-CE1 4.44Å
154	M	89.4	Confident	88.1	Confident	98 Å²	98	54.6 Å²	54.6	48%	0.483	28%	0.275	S	S	.	.	H	α-helix	trans	-64	-22.4	179.4	-70.7	176.1	69.2	0	0	113.8	Y111 K150 Q151 N152 F156	Y111-M154 HydrophobicContact CE2-CG 4.45Å; K150-M154 HydrophobicContact CG-SD 4.13Å; K150-M154 VanDerWaalsContact O-CG 3.26Å; K150-M154 WeakPolarHBondContact O-CG 3.43Å; K150-M154 PolarHBondContact O-N 3.18Å; Q151-M154 PolarHBondContact O-N 3.46Å; N152-M154 VanDerWaalsContact C-N 3.34Å; N152-M154 PolarHBondContact O-N 3.37Å; M154-F156 VanDerWaalsContact C-N 3.28Å
155	M	89.8	Confident	88.3	Confident	132 Å²	132	56.7 Å²	56.7	65%	0.65	28%	0.276	S	S	*	.	H	α-helix	trans	-70.8	-27.3	173.4	-70.9	-179.8	174.7	0	0	112.4	Q151 N152 F153	Q151-M155 WeakPolarHBondContact O-CG 3.28Å; Q151-M155 PolarHBondContact O-N 3.44Å; N152-M155 WeakPolarHBondContact O-CB 3.28Å; N152-M155 PolarHBondContact O-N 3.43Å; N152-M155 VanDerWaalsContact O-N 3.11Å; F153-M155 PolarHBondContact O-N 2.93Å
156	F	87.2	Confident	88.4	Confident	32 Å²	32	58.7 Å²	58.7	14%	0.14	29%	0.289	C	S	.	.	H	α-helix	trans	-98.2	-37.3	-179.2	-63.3	-75.1	0	0	0	112.4	N152 F153 M154 Q158 V164 E168 Q171 A172 A175	N152-F156 WeakPolarHBondContact O-CD2 3.38Å; F153-F156 PolarHBondContact O-N 2.99Å; M154-F156 VanDerWaalsContact C-N 3.28Å; F156-Q158 PolarHBondContact O-N 3.38Å; F156-V164 HydrophobicContact CB-CG1 4.14Å; F156-E168 HydrophobicContact CB-CB 4.2Å; F156-E168 HydrophobicContact CD1-CB 4.48Å; F156-Q171 HydrophobicContact CD1-CB 4.3Å; F156-Q171 HydrophobicContact CE1-CB 3.56Å; F156-Q171 HydrophobicContact CZ-CB 4.06Å; F156-A172 HydrophobicContact CD2-CB 3.69Å; F156-A172 VanDerWaalsContact CE2-CA 3.41Å; F156-A172 HydrophobicContact CE2-CB 3.53Å; F156-A172 HydrophobicContact CG-CB 4.47Å; F156-A172 HydrophobicContact CZ-CB 4.17Å; F156-A175 HydrophobicContact CZ-CB 4.24Å
157	D	86.1	Confident	88.4	Confident	3 Å²	3	64.5 Å²	64.5	2%	0.016	32%	0.316	C	S	.	.			trans	-76.5	61	174.1	-178.1	41.5	0	0	0	111.7	Y111 F153 D159 R160 S161 G162 V164	Y111-D157 WeakPolarHBondContact CE1-OD2 3.45Å; Y111-D157 PolarHBondContact OH-OD2 3.21Å; F153-D157 HydrophobicContact CD1-CB 3.94Å; F153-D157 HydrophobicContact CE1-CB 3.64Å; F153-D157 HydrophobicContact CZ-CB 4.29Å; F153-D157 PolarHBondContact O-N 3.49Å; D157-D159 VanDerWaalsContact C-N 3.28Å; D157-D159 PolarHBondContact O-N 2.74Å; D157-R160 PolarHBondContact O-N 3.11Å; D157-R160 VanDerWaalsContact O-N 3.11Å; D157-R160 WeakPolarHBondContact OD2-CA 3.45Å; D157-S161 PolarHBondContact OD1-N 3Å; D157-S161 PolarHBondContact OD1-OG 3.36Å; D157-G162 PolarHBondContact OD1-N 3.27Å; D157-G162 VanDerWaalsContact OD1-N 3.15Å; D157-G162 PolarHBondContact OD2-N 3.41Å; D157-V164 HydrophobicContact CB-CG1 4.33Å
158	Q	79	Confident	88.6	Confident	170 Å²	170	64.2 Å²	64.2	79%	0.794	31%	0.312	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.1	-31.1	-174.1	-65.5	-171.9	3.2	0	0	113.1	F156 R160	F156-Q158 PolarHBondContact O-N 3.38Å; Q158-R160 VanDerWaalsContact C-N 3.27Å
159	D	83.4	Confident	88.7	Confident	118 Å²	118	63.9 Å²	63.9	63%	0.631	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-83.3	-4.5	177.9	70.4	-11.9	0	0	0	113	D157 S161	D157-D159 VanDerWaalsContact C-N 3.28Å; D157-D159 PolarHBondContact O-N 2.74Å; D159-S161 PolarHBondContact O-N 3.47Å; D159-S161 VanDerWaalsContact OD1-CB 3.23Å; D159-S161 WeakPolarHBondContact OD1-CB 3.49Å; D159-S161 PolarHBondContact OD1-N 3.21Å; D159-S161 PolarHBondContact OD1-OG 3.39Å
160	R	83.3	Confident	88.7	Confident	200 Å²	200	64.9 Å²	64.9	76%	0.755	32%	0.317	S	S	*	.			trans	56.3	34.3	-175.5	-61.3	-174	-76.3	-171.8	-6	112.7	D157 Q158 G162	D157-R160 PolarHBondContact O-N 3.11Å; D157-R160 VanDerWaalsContact O-N 3.11Å; D157-R160 WeakPolarHBondContact OD2-CA 3.45Å; Q158-R160 VanDerWaalsContact C-N 3.27Å; R160-G162 PolarHBondContact O-N 3.39Å
161	S	85.9	Confident	88.8	Confident	53 Å²	53	66.8 Å²	66.8	37%	0.371	33%	0.326	S	S	.	.			trans	-64.3	-20.1	174.2	70.5	0	0	0	0	112.9	D157 D159 T163	D157-S161 PolarHBondContact OD1-N 3Å; D157-S161 PolarHBondContact OD1-OG 3.36Å; D159-S161 PolarHBondContact O-N 3.47Å; D159-S161 VanDerWaalsContact OD1-CB 3.23Å; D159-S161 WeakPolarHBondContact OD1-CB 3.49Å; D159-S161 PolarHBondContact OD1-N 3.21Å; D159-S161 PolarHBondContact OD1-OG 3.39Å; S161-T163 PolarHBondContact OG-N 2.8Å; S161-T163 VanDerWaalsContact OG-N 3.12Å; S161-T163 PolarHBondContact OG-O 3.13Å; S161-T163 PolarHBondContact OG-OG1 3.05Å
162	G	88.3	Confident	88.8	Confident	10 Å²	10	60.9 Å²	60.9	10%	0.103	30%	0.299	C	S	.	.	S	Bend	trans	75.6	15.6	-171.3	0	0	0	0	0	113.6	D157 R160 F200	D157-G162 PolarHBondContact OD1-N 3.27Å; D157-G162 VanDerWaalsContact OD1-N 3.15Å; D157-G162 PolarHBondContact OD2-N 3.41Å; R160-G162 PolarHBondContact O-N 3.39Å; G162-F200 PolarHBondContact O-N 2.87Å
163	T	91.6	Very high	88.8	Confident	8 Å²	8	59.8 Å²	59.8	5%	0.049	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.2	155	176.8	64.1	0	0	0	0	110.7	S161 R197 I198 Y199	S161-T163 PolarHBondContact OG-N 2.8Å; S161-T163 VanDerWaalsContact OG-N 3.12Å; S161-T163 PolarHBondContact OG-O 3.13Å; S161-T163 PolarHBondContact OG-OG1 3.05Å; T163-R197 HydrophobicContact CG2-CB 4.06Å; T163-R197 WeakPolarHBondContact OG1-CD 3.33Å; T163-R197 PolarHBondContact OG1-NH1 2.84Å; T163-R197 VanDerWaalsContact OG1-NH1 3.07Å; T163-I198 CarbonylContact C-O 3.52Å; T163-I198 VanDerWaalsContact CA-O 3.22Å; T163-I198 WeakPolarHBondContact CA-O 3.38Å; T163-Y199 HydrophobicContact CG2-CD1 3.65Å; T163-Y199 HydrophobicContact CG2-CE1 3.71Å; T163-Y199 HydrophobicContact CG2-CG 4.14Å
164	V	92.4	Very high	88.8	Confident	1 Å²	1	63.3 Å²	63.3	1%	0.006	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	151.3	166.7	-65.6	0	0	0	0	110.3	F153 F156 D157 E168 M169 I198 Y203	F153-V164 HydrophobicContact CD2-CG1 3.9Å; F153-V164 HydrophobicContact CE2-CB 4.29Å; F153-V164 HydrophobicContact CE2-CG1 3.54Å; F153-V164 HydrophobicContact CE2-CG2 3.96Å; F153-V164 HydrophobicContact CZ-CG1 3.93Å; F156-V164 HydrophobicContact CB-CG1 4.14Å; D157-V164 HydrophobicContact CB-CG1 4.33Å; V164-E168 VanDerWaalsContact CA-OE2 3.28Å; V164-E168 WeakPolarHBondContact CA-OE2 3.4Å; V164-E168 HydrophobicContact CB-CB 4.02Å; V164-E168 WeakPolarHBondContact CB-OE2 3.28Å; V164-M169 HydrophobicContact CG2-CB 4.47Å; V164-I198 HydrophobicContact CG2-CB 3.97Å; V164-I198 HydrophobicContact CG2-CG2 4.35Å; V164-I198 PolarHBondContact N-O 3.19Å; V164-I198 PolarHBondContact O-N 2.59Å; V164-Y203 HydrophobicContact CG2-CD2 4.25Å
165	E	91.9	Very high	88.6	Confident	94 Å²	94	61.9 Å²	61.9	44%	0.439	32%	0.316	S	S	.	.			trans	-80.6	159	174.7	-65.2	-168.6	167.5	0	0	111.5	H167 E168 M169	E165-H167 PolarHBondContact O-N 3.29Å; E165-H167 VanDerWaalsContact O-N 3.15Å; E165-E168 HydrophobicContact CB-CG 4.36Å; E165-E168 PolarHBondContact N-OE2 3.43Å; E165-E168 WeakPolarHBondContact O-CB 3.19Å; E165-E168 PolarHBondContact O-N 3.06Å; E165-M169 PolarHBondContact O-N 2.75Å
166	P	91.3	Very high	88.5	Confident	47 Å²	47	56.7 Å²	56.7	31%	0.305	29%	0.29	S	S	.	.	H	α-helix	trans	-47.6	-41.5	175.5	-36.3	41.2	0	0	0	115.2	S170 I189 N193 G196	P166-S170 PolarHBondContact O-N 3.07Å; P166-I189 HydrophobicContact CB-CG2 3.7Å; P166-I189 HydrophobicContact CG-CG2 4.16Å; P166-I189 WeakPolarHBondContact O-CD1 3.33Å; P166-N193 WeakPolarHBondContact CG-ND2 3.26Å; P166-G196 WeakPolarHBondContact CD-O 3.48Å
167	H	89.8	Confident	88.5	Confident	124 Å²	124	56 Å²	56	57%	0.574	29%	0.292	S	S	*	.	H	α-helix	trans	-70.1	-38.7	-179.4	-176	59.2	0	0	0	111.9	E165 S170 Q171	E165-H167 PolarHBondContact O-N 3.29Å; E165-H167 VanDerWaalsContact O-N 3.15Å; H167-S170 WeakPolarHBondContact O-CB 3.33Å; H167-S170 PolarHBondContact O-N 3.01Å; H167-Q171 PolarHBondContact CD2-NE2 2.88Å; H167-Q171 VanDerWaalsContact CD2-NE2 3.29Å; H167-Q171 PolarHBondContact NE2-NE2 3.5Å; H167-Q171 WeakPolarHBondContact O-CG 3.28Å; H167-Q171 PolarHBondContact O-N 2.89Å
168	E	91.8	Very high	88.7	Confident	53 Å²	53	56.9 Å²	56.9	25%	0.248	30%	0.295	C	S	.	.	H	α-helix	trans	-66.8	-40.6	176.8	-66.1	172	156.3	0	0	111.4	F156 V164 E165 S170 Q171 A172	F156-E168 HydrophobicContact CB-CB 4.2Å; F156-E168 HydrophobicContact CD1-CB 4.48Å; V164-E168 VanDerWaalsContact CA-OE2 3.28Å; V164-E168 WeakPolarHBondContact CA-OE2 3.4Å; V164-E168 HydrophobicContact CB-CB 4.02Å; V164-E168 WeakPolarHBondContact CB-OE2 3.28Å; E165-E168 HydrophobicContact CB-CG 4.36Å; E165-E168 PolarHBondContact N-OE2 3.43Å; E165-E168 WeakPolarHBondContact O-CB 3.19Å; E165-E168 PolarHBondContact O-N 3.06Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 2.88Å; E168-Q171 PolarHBondContact O-N 2.73Å; E168-Q171 VanDerWaalsContact O-N 3.13Å; E168-A172 WeakPolarHBondContact O-CB 3.48Å; E168-A172 PolarHBondContact O-N 3.17Å
169	M	92	Very high	89.2	Confident	0 Å²	0	59 Å²	59	0%	0	30%	0.296	C	S	.	.	H	α-helix	trans	-58	-41.9	172.7	-177.2	62.1	162.9	0	0	112	V164 E165 A172 I173 I189 I198 Y203 C206	V164-M169 HydrophobicContact CG2-CB 4.47Å; E165-M169 PolarHBondContact O-N 2.75Å; M169-A172 PolarHBondContact O-N 3.06Å; M169-I173 HydrophobicContact CE-CD1 3.96Å; M169-I173 HydrophobicContact CG-CD1 4.11Å; M169-I173 WeakPolarHBondContact O-CG1 3.39Å; M169-I173 PolarHBondContact O-N 3.38Å; M169-I173 HydrophobicContact SD-CD1 4.21Å; M169-I173 HydrophobicContact SD-CG1 4.44Å; M169-I189 HydrophobicContact CB-CG1 4.33Å; M169-I189 HydrophobicContact CG-CG1 4.01Å; M169-I198 HydrophobicContact CB-CD1 3.66Å; M169-I198 HydrophobicContact CG-CD1 3.69Å; M169-I198 HydrophobicContact SD-CD1 4.43Å; M169-Y203 HydrophobicContact CE-CD2 4.16Å; M169-Y203 HydrophobicContact SD-CD2 3.4Å; M169-Y203 WeakPolarHBondContact SD-CD2 3.23Å; M169-Y203 HydrophobicContact SD-CE2 3.76Å; M169-C206 HydrophobicContact CE-CB 3.53Å; M169-C206 WeakPolarHBondContact CE-SG 3.41Å
170	S	91.2	Very high	89.5	Confident	28 Å²	28	55.7 Å²	55.7	20%	0.196	28%	0.278	C	S	.	.	H	α-helix	trans	-61.6	-45.7	174.5	174.1	0	0	0	0	111.7	P166 H167 E168 N174 L185	P166-S170 PolarHBondContact O-N 3.07Å; H167-S170 WeakPolarHBondContact O-CB 3.33Å; H167-S170 PolarHBondContact O-N 3.01Å; E168-S170 VanDerWaalsContact C-N 3.29Å; E168-S170 PolarHBondContact O-N 2.88Å; S170-N174 PolarHBondContact O-N 3.37Å; S170-N174 VanDerWaalsContact O-N 3.13Å; S170-N174 PolarHBondContact O-ND2 3.03Å; S170-L185 WeakPolarHBondContact OG-CD2 3.38Å
171	Q	89.9	Confident	90	Very high	83 Å²	83	49.2 Å²	49.2	39%	0.388	26%	0.263	S	S	.	.	H	α-helix	trans	-63.6	-42.1	177.1	-67	-177.7	8.8	0	0	111.9	F156 H167 E168 N174 A175	F156-Q171 HydrophobicContact CD1-CB 4.3Å; F156-Q171 HydrophobicContact CE1-CB 3.56Å; F156-Q171 HydrophobicContact CZ-CB 4.06Å; H167-Q171 PolarHBondContact CD2-NE2 2.88Å; H167-Q171 VanDerWaalsContact CD2-NE2 3.29Å; H167-Q171 PolarHBondContact NE2-NE2 3.5Å; H167-Q171 WeakPolarHBondContact O-CG 3.28Å; H167-Q171 PolarHBondContact O-N 2.89Å; E168-Q171 PolarHBondContact O-N 2.73Å; E168-Q171 VanDerWaalsContact O-N 3.13Å; Q171-N174 PolarHBondContact O-N 2.89Å; Q171-A175 VanDerWaalsContact O-CB 3.31Å; Q171-A175 WeakPolarHBondContact O-CB 3.35Å; Q171-A175 PolarHBondContact O-N 3.46Å
172	A	90.8	Very high	90.3	Very high	1 Å²	1	51.5 Å²	51.5	1%	0.008	28%	0.277	C	S	.	.	H	α-helix	trans	-60.8	-48.5	178.3	0	0	0	0	0	112.4	N152 F156 E168 M169 N174 A175 M176 Y203	N152-A172 WeakPolarHBondContact OD1-CB 3.41Å; F156-A172 HydrophobicContact CD2-CB 3.69Å; F156-A172 VanDerWaalsContact CE2-CA 3.41Å; F156-A172 HydrophobicContact CE2-CB 3.53Å; F156-A172 HydrophobicContact CG-CB 4.47Å; F156-A172 HydrophobicContact CZ-CB 4.17Å; E168-A172 WeakPolarHBondContact O-CB 3.48Å; E168-A172 PolarHBondContact O-N 3.17Å; M169-A172 PolarHBondContact O-N 3.06Å; A172-N174 VanDerWaalsContact C-N 3.31Å; A172-N174 PolarHBondContact O-N 3.29Å; A172-A175 PolarHBondContact O-N 3.09Å; A172-M176 WeakPolarHBondContact O-CG 3.4Å; A172-M176 PolarHBondContact O-N 3.43Å; A172-Y203 HydrophobicContact CB-CE2 3.81Å
173	I	90.8	Very high	90.6	Very high	1 Å²	1	59 Å²	59	1%	0.005	31%	0.309	C	S	.	.	H	α-helix	trans	-59.8	-42.8	176.8	-71.5	171.5	0	0	0	111	M169 M176 Y178 I180 L185 I188 L210	M169-I173 HydrophobicContact CE-CD1 3.96Å; M169-I173 HydrophobicContact CG-CD1 4.11Å; M169-I173 WeakPolarHBondContact O-CG1 3.39Å; M169-I173 PolarHBondContact O-N 3.38Å; M169-I173 HydrophobicContact SD-CD1 4.21Å; M169-I173 HydrophobicContact SD-CG1 4.44Å; I173-M176 HydrophobicContact CG1-CE 4.23Å; I173-M176 PolarHBondContact O-N 3.36Å; I173-Y178 HydrophobicContact CG2-CD2 4.3Å; I173-Y178 HydrophobicContact CG2-CG 4.4Å; I173-Y178 PolarHBondContact O-N 3.2Å; I173-I180 HydrophobicContact CG2-CD1 3.92Å; I173-L185 HydrophobicContact CB-CD1 4.2Å; I173-L185 HydrophobicContact CD1-CD1 3.52Å; I173-L185 HydrophobicContact CG1-CD1 4.45Å; I173-L185 HydrophobicContact CG2-CD1 4.01Å; I173-I188 HydrophobicContact CD1-CG2 4.35Å; I173-L210 HydrophobicContact CG2-CD2 4.11Å
174	N	88.4	Confident	90.6	Very high	74 Å²	74	59.9 Å²	59.9	40%	0.396	32%	0.32	S	S	.	.	H	α-helix	trans	-67.3	-38.7	176.4	-75.1	-55.5	0	0	0	112.5	S170 Q171 A172 M176 G177 Y178	S170-N174 PolarHBondContact O-N 3.37Å; S170-N174 VanDerWaalsContact O-N 3.13Å; S170-N174 PolarHBondContact O-ND2 3.03Å; Q171-N174 PolarHBondContact O-N 2.89Å; A172-N174 VanDerWaalsContact C-N 3.31Å; A172-N174 PolarHBondContact O-N 3.29Å; N174-M176 VanDerWaalsContact C-N 3.27Å; N174-M176 PolarHBondContact O-N 2.91Å; N174-G177 WeakPolarHBondContact O-CA 3.22Å; N174-G177 PolarHBondContact O-N 3.48Å; N174-Y178 PolarHBondContact OD1-O 2.89Å
175	A	86.7	Confident	90.7	Very high	67 Å²	67	60.4 Å²	60.4	55%	0.554	32%	0.322	S	S	*	.	H	α-helix	trans	-65	-30.8	178	0	0	0	0	0	112.3	F156 Q171 A172 G177	F156-A175 HydrophobicContact CZ-CB 4.24Å; Q171-A175 VanDerWaalsContact O-CB 3.31Å; Q171-A175 WeakPolarHBondContact O-CB 3.35Å; Q171-A175 PolarHBondContact O-N 3.46Å; A172-A175 PolarHBondContact O-N 3.09Å; A175-G177 PolarHBondContact O-N 3.48Å
176	M	86.4	Confident	90.8	Very high	23 Å²	23	60.5 Å²	60.5	11%	0.113	33%	0.326	C	S	.	.	T	Hydrogen-bonded Turn	trans	-73.7	-4.6	170.7	-69.4	-174.6	-72.2	0	0	113.6	A172 I173 N174 Y178	A172-M176 WeakPolarHBondContact O-CG 3.4Å; A172-M176 PolarHBondContact O-N 3.43Å; I173-M176 HydrophobicContact CG1-CE 4.23Å; I173-M176 PolarHBondContact O-N 3.36Å; N174-M176 VanDerWaalsContact C-N 3.27Å; N174-M176 PolarHBondContact O-N 2.91Å; M176-Y178 HydrophobicContact CB-CD2 3.73Å; M176-Y178 HydrophobicContact CB-CE2 3.76Å; M176-Y178 HydrophobicContact CE-CD2 4.41Å; M176-Y178 HydrophobicContact CE-CE2 4.29Å; M176-Y178 HydrophobicContact SD-CE2 4.33Å
177	G	88.3	Confident	91	Very high	17 Å²	17	61.2 Å²	61.2	18%	0.175	34%	0.336	C	S	.	.	T	Hydrogen-bonded Turn	trans	94.3	-1	175.9	0	0	0	0	0	114.9	P4 N174 A175 R179	P4-G177 VanDerWaalsContact CB-O 3.24Å; P4-G177 WeakPolarHBondContact CB-O 3.19Å; P4-G177 WeakPolarHBondContact CG-O 3.45Å; N174-G177 WeakPolarHBondContact O-CA 3.22Å; N174-G177 PolarHBondContact O-N 3.48Å; A175-G177 PolarHBondContact O-N 3.48Å; G177-R179 PolarHBondContact O-N 3.28Å
178	Y	89.5	Confident	91.2	Very high	22 Å²	22	57.1 Å²	57.1	9%	0.086	32%	0.318	C	S	.	.			trans	-70.5	128.8	179.7	-63.5	-75.8	0	0	0	111.4	I173 N174 M176 L210 T214	I173-Y178 HydrophobicContact CG2-CD2 4.3Å; I173-Y178 HydrophobicContact CG2-CG 4.4Å; I173-Y178 PolarHBondContact O-N 3.2Å; N174-Y178 PolarHBondContact OD1-O 2.89Å; M176-Y178 HydrophobicContact CB-CD2 3.73Å; M176-Y178 HydrophobicContact CB-CE2 3.76Å; M176-Y178 HydrophobicContact CE-CD2 4.41Å; M176-Y178 HydrophobicContact CE-CE2 4.29Å; M176-Y178 HydrophobicContact SD-CE2 4.33Å; Y178-L210 HydrophobicContact CD1-CD1 4.34Å; Y178-L210 HydrophobicContact CD1-CD2 3.85Å; Y178-L210 HydrophobicContact CD1-CG 3.89Å; Y178-L210 HydrophobicContact CD2-CD2 3.47Å; Y178-L210 VanDerWaalsContact CD2-CD2 3.47Å; Y178-L210 HydrophobicContact CD2-CG 4.28Å; Y178-L210 HydrophobicContact CE1-CD2 4.04Å; Y178-L210 HydrophobicContact CE1-CG 3.77Å; Y178-L210 HydrophobicContact CE2-CD2 3.67Å; Y178-L210 HydrophobicContact CE2-CG 4.16Å; Y178-L210 HydrophobicContact CG-CD2 3.57Å; Y178-L210 HydrophobicContact CG-CG 4.15Å; Y178-T214 HydrophobicContact CE1-CG2 4.25Å
179	R	88.9	Confident	91.3	Very high	215 Å²	215	55.3 Å²	55.3	81%	0.811	31%	0.309	S	S	*	.			trans	-104.9	81.6	177.8	-62.9	-69.2	-174.3	170.8	-0.5	109.6	P4 G177	P4-R179 HydrophobicContact CG-CG 4.18Å; G177-R179 PolarHBondContact O-N 3.28Å
180	I	91	Very high	91.4	Very high	48 Å²	48	63.5 Å²	63.5	25%	0.246	35%	0.345	C	S	.	.			trans	-101.2	142.3	-179.6	-51.5	-179.8	0	0	0	109.3	I173 L185 I188 L210	I173-I180 HydrophobicContact CG2-CD1 3.92Å; I180-L185 HydrophobicContact CG2-CB 4.37Å; I180-I188 HydrophobicContact CD1-CD1 3.74Å; I180-I188 HydrophobicContact CG2-CD1 4.39Å; I180-L210 HydrophobicContact CD1-CD1 3.73Å; I180-L210 HydrophobicContact CD1-CD2 4.01Å
181	S	93.1	Very high	91.5	Very high	65 Å²	65	70.8 Å²	70.8	46%	0.455	37%	0.368	S	S	.	.			trans	-61.6	150.3	174.8	72	0	0	0	0	111	Q183 G184 L185	S181-Q183 PolarHBondContact O-N 2.97Å; S181-Q183 VanDerWaalsContact O-N 3.13Å; S181-G184 PolarHBondContact O-N 3.28Å; S181-G184 PolarHBondContact OG-N 3.08Å; S181-L185 PolarHBondContact O-N 3.28Å
182	P	92.1	Very high	91.6	Very high	101 Å²	101	68 Å²	68	66%	0.656	36%	0.355	S	S	*	.	H	α-helix	trans	-55.2	-34.8	178.1	-27.5	35.1	0	0	0	113.3	N186	P182-N186 WeakPolarHBondContact O-CB 3.43Å; P182-N186 VanDerWaalsContact O-CG 3.24Å; P182-N186 PolarHBondContact O-N 3.29Å; P182-N186 PolarHBondContact O-ND2 3.28Å
183	Q	93.9	Very high	91.7	Very high	167 Å²	167	70.3 Å²	70.3	78%	0.78	37%	0.367	S	S	*	.	H	α-helix	trans	-65.8	-47.4	176.4	-69.1	179.5	-25.1	0	0	112	S181 N186 A187	S181-Q183 PolarHBondContact O-N 2.97Å; S181-Q183 VanDerWaalsContact O-N 3.13Å; Q183-N186 PolarHBondContact O-N 3.44Å; Q183-A187 PolarHBondContact O-N 2.93Å; Q183-A187 VanDerWaalsContact O-N 3.14Å
184	G	93.3	Very high	91.6	Very high	26 Å²	26	75.5 Å²	75.5	27%	0.268	39%	0.389	S	S	.	.	H	α-helix	trans	-64.1	-42.2	177.4	0	0	0	0	0	112.1	S181 N186 A187 I188	S181-G184 PolarHBondContact O-N 3.28Å; S181-G184 PolarHBondContact OG-N 3.08Å; G184-N186 PolarHBondContact O-N 3.32Å; G184-A187 WeakPolarHBondContact O-CB 3.4Å; G184-A187 PolarHBondContact O-N 2.87Å; G184-I188 WeakPolarHBondContact O-CG1 3.44Å; G184-I188 PolarHBondContact O-N 3.34Å
185	L	93.4	Very high	91.6	Very high	12 Å²	12	76.2 Å²	76.2	6%	0.063	41%	0.414	C	S	.	.	H	α-helix	trans	-63.3	-42.1	178.5	-168.5	60.6	0	0	0	112.1	S170 I173 I180 S181 A187 I188 I189	S170-L185 WeakPolarHBondContact OG-CD2 3.38Å; I173-L185 HydrophobicContact CB-CD1 4.2Å; I173-L185 HydrophobicContact CD1-CD1 3.52Å; I173-L185 HydrophobicContact CG1-CD1 4.45Å; I173-L185 HydrophobicContact CG2-CD1 4.01Å; I180-L185 HydrophobicContact CG2-CB 4.37Å; S181-L185 PolarHBondContact O-N 3.28Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.47Å; L185-I188 PolarHBondContact O-N 3.04Å; L185-I189 HydrophobicContact CG-CD1 4.04Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.02Å
186	N	93.5	Very high	91.7	Very high	96 Å²	96	74.9 Å²	74.9	51%	0.513	41%	0.407	S	S	.	.	H	α-helix	trans	-61.9	-38.1	174.4	-79.1	-27.6	0	0	0	112.6	P182 Q183 G184 K190	P182-N186 WeakPolarHBondContact O-CB 3.43Å; P182-N186 VanDerWaalsContact O-CG 3.24Å; P182-N186 PolarHBondContact O-N 3.29Å; P182-N186 PolarHBondContact O-ND2 3.28Å; Q183-N186 PolarHBondContact O-N 3.44Å; G184-N186 PolarHBondContact O-N 3.32Å; N186-K190 WeakPolarHBondContact O-CB 3.4Å; N186-K190 WeakPolarHBondContact O-CG 3.44Å; N186-K190 PolarHBondContact O-N 2.85Å
187	A	95.2	Very high	91.9	Very high	62 Å²	62	78.5 Å²	78.5	51%	0.512	42%	0.419	S	S	.	.	H	α-helix	trans	-65.7	-43.8	175.8	0	0	0	0	0	111.5	Q183 G184 L185 K190 R191	Q183-A187 PolarHBondContact O-N 2.93Å; Q183-A187 VanDerWaalsContact O-N 3.14Å; G184-A187 WeakPolarHBondContact O-CB 3.4Å; G184-A187 PolarHBondContact O-N 2.87Å; L185-A187 VanDerWaalsContact C-N 3.31Å; L185-A187 PolarHBondContact O-N 3.47Å; A187-K190 PolarHBondContact O-N 3.34Å; A187-R191 WeakPolarHBondContact O-CB 3.4Å; A187-R191 PolarHBondContact O-N 3.3Å; A187-R191 VanDerWaalsContact O-N 3.08Å
188	I	94.1	Very high	92.2	Very high	39 Å²	39	77.7 Å²	77.7	20%	0.2	41%	0.411	C	S	.	.	H	α-helix	trans	-59.3	-52.6	175.3	-67.7	166.4	0	0	0	110.3	I173 I180 G184 L185 K190 R191 Y192 C206	I173-I188 HydrophobicContact CD1-CG2 4.35Å; I180-I188 HydrophobicContact CD1-CD1 3.74Å; I180-I188 HydrophobicContact CG2-CD1 4.39Å; G184-I188 WeakPolarHBondContact O-CG1 3.44Å; G184-I188 PolarHBondContact O-N 3.34Å; L185-I188 PolarHBondContact O-N 3.04Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 2.92Å; I188-R191 WeakPolarHBondContact O-CB 3.46Å; I188-R191 PolarHBondContact O-N 2.97Å; I188-Y192 HydrophobicContact CG2-CD2 4.14Å; I188-Y192 HydrophobicContact CG2-CE2 4.32Å; I188-Y192 WeakPolarHBondContact O-CD2 3.5Å; I188-Y192 PolarHBondContact O-N 3.33Å; I188-C206 WeakPolarHBondContact CG2-SG 3.48Å
189	I	93.9	Very high	92.4	Very high	14 Å²	14	81 Å²	81	7%	0.072	42%	0.424	C	S	.	.	H	α-helix	trans	-56.7	-47.7	-179.6	-71.6	165.5	0	0	0	110.8	P166 M169 L185 R191 Y192 N193 I198	P166-I189 HydrophobicContact CB-CG2 3.7Å; P166-I189 HydrophobicContact CG-CG2 4.16Å; P166-I189 WeakPolarHBondContact O-CD1 3.33Å; M169-I189 HydrophobicContact CB-CG1 4.33Å; M169-I189 HydrophobicContact CG-CG1 4.01Å; L185-I189 HydrophobicContact CG-CD1 4.04Å; L185-I189 VanDerWaalsContact O-CG1 3.3Å; L185-I189 WeakPolarHBondContact O-CG1 3.33Å; L185-I189 PolarHBondContact O-N 3.02Å; I189-R191 PolarHBondContact O-N 2.96Å; I189-Y192 PolarHBondContact O-N 3.22Å; I189-N193 WeakPolarHBondContact O-CB 3.17Å; I189-N193 PolarHBondContact O-N 2.86Å; I189-I198 HydrophobicContact CG2-CD1 4.41Å
190	K	94.1	Very high	92.5	Very high	172 Å²	172	70.9 Å²	70.9	75%	0.748	39%	0.386	S	S	*	.	H	α-helix	trans	-60.5	-32.9	178.1	-77.3	-179.8	178.3	-176.1	0	113	N186 A187 I188	N186-K190 WeakPolarHBondContact O-CB 3.4Å; N186-K190 WeakPolarHBondContact O-CG 3.44Å; N186-K190 PolarHBondContact O-N 2.85Å; A187-K190 PolarHBondContact O-N 3.34Å; I188-K190 VanDerWaalsContact C-N 3.33Å; I188-K190 PolarHBondContact O-N 2.92Å
191	R	94.1	Very high	92.5	Very high	181 Å²	181	69.5 Å²	69.5	68%	0.683	38%	0.379	S	S	*	.	H	α-helix	trans	-70.6	-30.8	-179.1	177.7	58.4	-177	76.7	1.5	113.4	A187 I188 I189	A187-R191 WeakPolarHBondContact O-CB 3.4Å; A187-R191 PolarHBondContact O-N 3.3Å; A187-R191 VanDerWaalsContact O-N 3.08Å; I188-R191 WeakPolarHBondContact O-CB 3.46Å; I188-R191 PolarHBondContact O-N 2.97Å; I189-R191 PolarHBondContact O-N 2.96Å
192	Y	92.8	Very high	92.5	Very high	26 Å²	26	67.1 Å²	67.1	10%	0.102	36%	0.361	C	S	.	.	H	α-helix	trans	-105.9	-9.2	-177.3	-69.5	-80.6	0	0	0	113.5	I188 I189 K194 D202 A205 C206	I188-Y192 HydrophobicContact CG2-CD2 4.14Å; I188-Y192 HydrophobicContact CG2-CE2 4.32Å; I188-Y192 WeakPolarHBondContact O-CD2 3.5Å; I188-Y192 PolarHBondContact O-N 3.33Å; I189-Y192 PolarHBondContact O-N 3.22Å; Y192-K194 PolarHBondContact O-N 2.74Å; Y192-D202 HydrophobicContact CD1-CB 4.03Å; Y192-D202 VanDerWaalsContact CD1-O 3.28Å; Y192-D202 WeakPolarHBondContact CD1-O 3.26Å; Y192-A205 HydrophobicContact CE1-CB 4.03Å; Y192-C206 HydrophobicContact CD1-CB 4.15Å; Y192-C206 HydrophobicContact CD2-CB 3.75Å; Y192-C206 HydrophobicContact CE1-CB 3.98Å; Y192-C206 HydrophobicContact CE2-CB 3.59Å; Y192-C206 HydrophobicContact CG-CB 4.04Å
193	N	92.1	Very high	92.6	Very high	49 Å²	49	62.4 Å²	62.4	26%	0.262	33%	0.33	S	S	.	.			trans	-72.8	125.2	176.5	-174.7	-44.4	0	0	0	111.2	P166 I189 G196 R197 I198	P166-N193 WeakPolarHBondContact CG-ND2 3.26Å; I189-N193 WeakPolarHBondContact O-CB 3.17Å; I189-N193 PolarHBondContact O-N 2.86Å; N193-G196 WeakPolarHBondContact OD1-CA 3.28Å; N193-G196 PolarHBondContact OD1-N 2.88Å; N193-R197 PolarHBondContact OD1-N 3.01Å; N193-I198 HydrophobicContact CB-CG1 4.33Å
194	K	89.6	Confident	92.5	Very high	109 Å²	109	54.4 Å²	54.4	47%	0.474	29%	0.293	S	S	.	.	B	Isolated β-bridge	trans	-120.1	107.1	172.9	-67.3	176.9	-174.7	156.2	0	108.8	Y192 G196 R197 Y199 D202	Y192-K194 PolarHBondContact O-N 2.74Å; K194-G196 VanDerWaalsContact C-N 3.32Å; K194-G196 PolarHBondContact O-N 3.15Å; K194-R197 CarbonylContact C-O 3.6Å; K194-R197 PolarHBondContact N-O 3.05Å; K194-R197 PolarHBondContact O-N 3.17Å; K194-R197 VanDerWaalsContact O-O 3.1Å; K194-Y199 HydrophobicContact CB-CD2 4.34Å; K194-Y199 HydrophobicContact CB-CE2 4.12Å; K194-Y199 HydrophobicContact CD-CD2 4.36Å; K194-D202 WeakPolarHBondContact CD-OD2 3.45Å; K194-D202 WeakPolarHBondContact CE-OD1 3.46Å; K194-D202 VanDerWaalsContact CE-OD2 3.25Å; K194-D202 WeakPolarHBondContact CE-OD2 3.45Å; K194-D202 IonicContact NZ-OD1 2.72Å; K194-D202 PolarHBondContact NZ-OD1 2.8Å; K194-D202 IonicContact NZ-OD2 3.32Å; K194-D202 PolarHBondContact NZ-OD2 2.88Å
195	G	87.2	Confident	92.4	Very high	89 Å²	89	53.4 Å²	53.4	92%	0.918	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	66.4	29.4	175.7	0	0	0	0	0	114.7
196	G	89.1	Confident	92.4	Very high	39 Å²	39	53 Å²	53	40%	0.402	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	94.6	-8.3	-178.7	0	0	0	0	0	114.2	P166 N193 K194	P166-G196 WeakPolarHBondContact CD-O 3.48Å; N193-G196 WeakPolarHBondContact OD1-CA 3.28Å; N193-G196 PolarHBondContact OD1-N 2.88Å; K194-G196 VanDerWaalsContact C-N 3.32Å; K194-G196 PolarHBondContact O-N 3.15Å
197	R	91.4	Very high	92.4	Very high	99 Å²	99	48.5 Å²	48.5	37%	0.374	26%	0.256	S	S	.	.	B	Isolated β-bridge	trans	-127.1	154.2	-174	-70	-179.4	178.3	-80	-9.9	111.3	T163 N193 K194	T163-R197 HydrophobicContact CG2-CB 4.06Å; T163-R197 WeakPolarHBondContact OG1-CD 3.33Å; T163-R197 PolarHBondContact OG1-NH1 2.84Å; T163-R197 VanDerWaalsContact OG1-NH1 3.07Å; N193-R197 PolarHBondContact OD1-N 3.01Å; K194-R197 CarbonylContact C-O 3.6Å; K194-R197 PolarHBondContact N-O 3.05Å; K194-R197 PolarHBondContact O-N 3.17Å; K194-R197 VanDerWaalsContact O-O 3.1Å
198	I	93.8	Very high	92.1	Very high	0 Å²	0	45.5 Å²	45.5	0%	0	23%	0.232	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	116.2	175.2	-61.5	164.4	0	0	0	107.2	T163 V164 M169 I189 N193 D202	T163-I198 CarbonylContact C-O 3.52Å; T163-I198 VanDerWaalsContact CA-O 3.22Å; T163-I198 WeakPolarHBondContact CA-O 3.38Å; V164-I198 HydrophobicContact CG2-CB 3.97Å; V164-I198 HydrophobicContact CG2-CG2 4.35Å; V164-I198 PolarHBondContact N-O 3.19Å; V164-I198 PolarHBondContact O-N 2.59Å; M169-I198 HydrophobicContact CB-CD1 3.66Å; M169-I198 HydrophobicContact CG-CD1 3.69Å; M169-I198 HydrophobicContact SD-CD1 4.43Å; I189-I198 HydrophobicContact CG2-CD1 4.41Å; N193-I198 HydrophobicContact CB-CG1 4.33Å; I198-D202 HydrophobicContact CG2-CB 4Å
199	Y	93.1	Very high	92	Very high	92 Å²	92	46.5 Å²	46.5	36%	0.361	23%	0.234	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-74	157.9	180	-69.1	-90.7	0	0	0	111.1	T163 K194 D201 D202 Y203	T163-Y199 HydrophobicContact CG2-CD1 3.65Å; T163-Y199 HydrophobicContact CG2-CE1 3.71Å; T163-Y199 HydrophobicContact CG2-CG 4.14Å; K194-Y199 HydrophobicContact CB-CD2 4.34Å; K194-Y199 HydrophobicContact CB-CE2 4.12Å; K194-Y199 HydrophobicContact CD-CD2 4.36Å; Y199-D201 VanDerWaalsContact C-N 3.26Å; Y199-D201 PolarHBondContact O-N 3.31Å; Y199-D202 PolarHBondContact O-N 3.32Å; Y199-Y203 PolarHBondContact O-N 3.1Å
200	F	91.8	Very high	91.9	Very high	3 Å²	3	47 Å²	47	1%	0.013	24%	0.237	C	C	.	.	H	α-helix	trans	-50.6	-43.6	177.1	-179.6	-116.5	0	0	0	113.5	F107 T108 Y111 F114 K150 F153 G162 Y203 V204	F107-F200 HydrophobicContact CE1-CZ 4.42Å; T108-F200 HydrophobicContact CG2-CD1 4.39Å; T108-F200 HydrophobicContact CG2-CE1 4.16Å; Y111-F200 HydrophobicContact CD2-CB 4.36Å; Y111-F200 AromaticContact CD2-CD1 3.95Å; Y111-F200 HydrophobicContact CD2-CD1 3.95Å; Y111-F200 HydrophobicContact CD2-CD2 4.27Å; Y111-F200 HydrophobicContact CD2-CE1 4.32Å; Y111-F200 AromaticContact CD2-CG 3.92Å; Y111-F200 HydrophobicContact CD2-CG 3.92Å; Y111-F200 HydrophobicContact CG-CB 4.09Å; Y111-F200 HydrophobicContact CG-CD1 4.2Å; Y111-F200 HydrophobicContact CG-CG 4.11Å; F114-F200 HydrophobicContact CE1-CD1 4.12Å; F114-F200 AromaticContact CE1-CE1 3.68Å; F114-F200 HydrophobicContact CE1-CE1 3.68Å; F114-F200 HydrophobicContact CE1-CZ 4.36Å; F114-F200 HydrophobicContact CZ-CD1 4.39Å; F114-F200 AromaticContact CZ-CE1 3.55Å; F114-F200 HydrophobicContact CZ-CE1 3.55Å; F114-F200 HydrophobicContact CZ-CZ 4.11Å; K150-F200 HydrophobicContact CB-CE2 4.27Å; K150-F200 HydrophobicContact CB-CZ 4.07Å; K150-F200 HydrophobicContact CG-CE2 4.28Å; K150-F200 HydrophobicContact CG-CZ 4.06Å; F153-F200 HydrophobicContact CB-CD2 4.13Å; F153-F200 HydrophobicContact CB-CE2 4.12Å; F153-F200 AromaticContact CD1-CD2 3.64Å; F153-F200 HydrophobicContact CD1-CD2 3.64Å; F153-F200 HydrophobicContact CD1-CE2 4.29Å; F153-F200 AromaticContact CD2-CD2 3.94Å; F153-F200 HydrophobicContact CD2-CD2 3.94Å; F153-F200 HydrophobicContact CE1-CB 4.11Å; F153-F200 AromaticContact CE1-CD2 3.95Å; F153-F200 HydrophobicContact CE1-CD2 3.95Å; F153-F200 HydrophobicContact CE1-CG 4.44Å; F153-F200 HydrophobicContact CE2-CB 4.32Å; F153-F200 HydrophobicContact CE2-CD2 4.2Å; F153-F200 AromaticContact CG-CD2 3.63Å; F153-F200 HydrophobicContact CG-CD2 3.63Å; F153-F200 HydrophobicContact CG-CE2 4.12Å; F153-F200 HydrophobicContact CZ-CB 3.92Å; F153-F200 HydrophobicContact CZ-CD2 4.21Å; G162-F200 PolarHBondContact O-N 2.87Å; F200-Y203 PolarHBondContact O-N 3.26Å; F200-V204 HydrophobicContact CD2-CG2 4.08Å; F200-V204 HydrophobicContact CE1-CG2 4.17Å; F200-V204 HydrophobicContact CE2-CG2 3.59Å; F200-V204 HydrophobicContact CZ-CG2 3.64Å; F200-V204 WeakPolarHBondContact O-CG2 3.18Å; F200-V204 PolarHBondContact O-N 2.88Å
201	D	91.6	Very high	91.6	Very high	19 Å²	19	41.2 Å²	41.2	10%	0.102	21%	0.211	C	C	.	.	H	α-helix	trans	-58.1	-49.5	176.3	-176.2	41.7	0	0	0	112.1	F114 S115 T118 Y199 Y203 V204 A205	F114-D201 WeakPolarHBondContact CA-OD1 3.33Å; F114-D201 WeakPolarHBondContact CD1-OD1 3.42Å; S115-D201 WeakPolarHBondContact CB-OD2 3.46Å; S115-D201 PolarHBondContact N-OD1 2.95Å; S115-D201 VanDerWaalsContact N-OD1 3.14Å; S115-D201 PolarHBondContact N-OD2 2.84Å; S115-D201 PolarHBondContact OG-OD2 3.23Å; T118-D201 WeakPolarHBondContact CB-OD1 3.41Å; T118-D201 WeakPolarHBondContact CG2-OD1 3.45Å; T118-D201 VanDerWaalsContact OG1-CG 3.29Å; T118-D201 PolarHBondContact OG1-OD1 2.82Å; T118-D201 PolarHBondContact OG1-OD2 3.02Å; Y199-D201 VanDerWaalsContact C-N 3.26Å; Y199-D201 PolarHBondContact O-N 3.31Å; D201-Y203 PolarHBondContact O-N 3.39Å; D201-V204 PolarHBondContact O-N 2.82Å; D201-A205 WeakPolarHBondContact O-CB 3.4Å; D201-A205 PolarHBondContact O-N 3.38Å
202	D	92.9	Very high	91.3	Very high	15 Å²	15	32.8 Å²	32.8	8%	0.08	18%	0.179	C	C	.	.	H	α-helix	trans	-66.2	-37.2	178.9	-69	-62.2	0	0	0	112.3	Y192 K194 I198 Y199 C206	Y192-D202 HydrophobicContact CD1-CB 4.03Å; Y192-D202 VanDerWaalsContact CD1-O 3.28Å; Y192-D202 WeakPolarHBondContact CD1-O 3.26Å; K194-D202 WeakPolarHBondContact CD-OD2 3.45Å; K194-D202 WeakPolarHBondContact CE-OD1 3.46Å; K194-D202 VanDerWaalsContact CE-OD2 3.25Å; K194-D202 WeakPolarHBondContact CE-OD2 3.45Å; K194-D202 IonicContact NZ-OD1 2.72Å; K194-D202 PolarHBondContact NZ-OD1 2.8Å; K194-D202 IonicContact NZ-OD2 3.32Å; K194-D202 PolarHBondContact NZ-OD2 2.88Å; I198-D202 HydrophobicContact CG2-CB 4Å; Y199-D202 PolarHBondContact O-N 3.32Å; D202-C206 WeakPolarHBondContact O-CB 3.44Å; D202-C206 PolarHBondContact O-N 3.03Å
203	Y	93.4	Very high	91.3	Very high	1 Å²	1	34.6 Å²	34.6	0%	0.004	19%	0.19	C	C	.	.	H	α-helix	trans	-61.1	-49.4	174.2	172.4	-87.8	0	0	0	110.9	W149 N152 F153 V164 M169 A172 Y199 F200 D201 C206 C207	W149-Y203 HydrophobicContact CB-CE1 4.3Å; N152-Y203 PolarHBondContact OD1-OH 3.2Å; F153-Y203 HydrophobicContact CB-CD1 4.1Å; F153-Y203 HydrophobicContact CB-CE1 3.85Å; F153-Y203 AromaticContact CD2-CD1 3.55Å; F153-Y203 HydrophobicContact CD2-CD1 3.55Å; F153-Y203 AromaticContact CD2-CD2 3.81Å; F153-Y203 HydrophobicContact CD2-CD2 3.81Å; F153-Y203 HydrophobicContact CD2-CE1 4.03Å; F153-Y203 HydrophobicContact CD2-CE2 4.25Å; F153-Y203 AromaticContact CD2-CG 3.45Å; F153-Y203 HydrophobicContact CD2-CG 3.45Å; F153-Y203 VanDerWaalsContact CD2-CG 3.45Å; F153-Y203 HydrophobicContact CE2-CD1 4.41Å; F153-Y203 HydrophobicContact CE2-CD2 4.33Å; F153-Y203 AromaticContact CE2-CG 3.96Å; F153-Y203 HydrophobicContact CE2-CG 3.96Å; F153-Y203 HydrophobicContact CG-CD1 4.24Å; F153-Y203 HydrophobicContact CG-CE1 4.44Å; V164-Y203 HydrophobicContact CG2-CD2 4.25Å; M169-Y203 HydrophobicContact CE-CD2 4.16Å; M169-Y203 HydrophobicContact SD-CD2 3.4Å; M169-Y203 WeakPolarHBondContact SD-CD2 3.23Å; M169-Y203 HydrophobicContact SD-CE2 3.76Å; A172-Y203 HydrophobicContact CB-CE2 3.81Å; Y199-Y203 PolarHBondContact O-N 3.1Å; F200-Y203 PolarHBondContact O-N 3.26Å; D201-Y203 PolarHBondContact O-N 3.39Å; Y203-C206 WeakPolarHBondContact O-CB 3.33Å; Y203-C206 PolarHBondContact O-N 2.86Å; Y203-C207 VanDerWaalsContact CE1-SG 3.55Å; Y203-C207 PolarHBondContact O-N 3.39Å; Y203-C207 PolarHBondContact O-SG 3.38Å
204	V	92.4	Very high	91.2	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.186	C	C	.	.	H	α-helix	trans	-64.7	-44.6	179	173.5	0	0	0	0	110.4	F114 T118 M122 L146 W149 F200 D201 C206 C207 V208	F114-V204 HydrophobicContact CE1-CB 3.88Å; F114-V204 HydrophobicContact CE1-CG1 3.9Å; F114-V204 HydrophobicContact CE1-CG2 3.89Å; F114-V204 HydrophobicContact CZ-CG1 4.38Å; F114-V204 HydrophobicContact CZ-CG2 4.37Å; T118-V204 HydrophobicContact CG2-CG1 4.39Å; M122-V204 HydrophobicContact CE-CG1 3.58Å; L146-V204 HydrophobicContact CD2-CG1 3.7Å; W149-V204 HydrophobicContact CE3-CG1 4.16Å; F200-V204 HydrophobicContact CD2-CG2 4.08Å; F200-V204 HydrophobicContact CE1-CG2 4.17Å; F200-V204 HydrophobicContact CE2-CG2 3.59Å; F200-V204 HydrophobicContact CZ-CG2 3.64Å; F200-V204 WeakPolarHBondContact O-CG2 3.18Å; F200-V204 PolarHBondContact O-N 2.88Å; D201-V204 PolarHBondContact O-N 2.82Å; V204-C206 VanDerWaalsContact C-N 3.26Å; V204-C206 PolarHBondContact O-N 2.89Å; V204-C207 PolarHBondContact O-N 3.4Å; V204-V208 HydrophobicContact CG1-CG2 4.01Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 3.16Å
205	A	91.7	Very high	91.1	Very high	5 Å²	5	30.9 Å²	30.9	4%	0.041	18%	0.177	C	C	.	.	H	α-helix	trans	-55.2	-42.7	175.3	0	0	0	0	0	112.1	T118 Y192 D201 K209	T118-A205 HydrophobicContact CG2-CB 3.94Å; Y192-A205 HydrophobicContact CE1-CB 4.03Å; D201-A205 WeakPolarHBondContact O-CB 3.4Å; D201-A205 PolarHBondContact O-N 3.38Å; A205-K209 WeakPolarHBondContact O-CB 3.39Å; A205-K209 PolarHBondContact O-N 3.35Å
206	C	93.3	Very high	91.2	Very high	4 Å²	4	28.4 Å²	28.4	3%	0.027	14%	0.143	C	C	.	.	H	α-helix	trans	-63.2	-45.5	174.8	-177.4	0	0	0	0	112.2	M169 I188 Y192 D202 Y203 V204 K209 L210	M169-C206 HydrophobicContact CE-CB 3.53Å; M169-C206 WeakPolarHBondContact CE-SG 3.41Å; I188-C206 WeakPolarHBondContact CG2-SG 3.48Å; Y192-C206 HydrophobicContact CD1-CB 4.15Å; Y192-C206 HydrophobicContact CD2-CB 3.75Å; Y192-C206 HydrophobicContact CE1-CB 3.98Å; Y192-C206 HydrophobicContact CE2-CB 3.59Å; Y192-C206 HydrophobicContact CG-CB 4.04Å; D202-C206 WeakPolarHBondContact O-CB 3.44Å; D202-C206 PolarHBondContact O-N 3.03Å; Y203-C206 WeakPolarHBondContact O-CB 3.33Å; Y203-C206 PolarHBondContact O-N 2.86Å; V204-C206 VanDerWaalsContact C-N 3.26Å; V204-C206 PolarHBondContact O-N 2.89Å; C206-K209 PolarHBondContact O-N 3.24Å; C206-L210 WeakPolarHBondContact O-CB 3.33Å; C206-L210 PolarHBondContact O-N 3.11Å
207	C	92.4	Very high	91.3	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-64.4	-42.7	-178.8	-65.8	0	0	0	0	112.2	W149 Y203 V204 R211	W149-C207 HydrophobicContact CD2-CB 3.89Å; W149-C207 HydrophobicContact CG-CB 3.89Å; W149-C207 HydrophobicContact CZ2-CB 4.34Å; Y203-C207 VanDerWaalsContact CE1-SG 3.55Å; Y203-C207 PolarHBondContact O-N 3.39Å; Y203-C207 PolarHBondContact O-SG 3.38Å; V204-C207 PolarHBondContact O-N 3.4Å; C207-R211 WeakPolarHBondContact O-CB 3.43Å; C207-R211 PolarHBondContact O-N 3.33Å
208	V	90.5	Very high	91.2	Very high	0 Å²	0	29.5 Å²	29.5	0%	0	14%	0.136	C	C	.	.	H	α-helix	trans	-60.8	-52.2	176.2	176.8	0	0	0	0	110	I121 M122 M125 W149 V204 L210 R211 A212	I121-V208 HydrophobicContact CG2-CB 4.21Å; I121-V208 HydrophobicContact CG2-CG1 3.7Å; I121-V208 VanDerWaalsContact O-CG1 3.28Å; I121-V208 WeakPolarHBondContact O-CG1 3.45Å; M122-V208 HydrophobicContact CG-CG2 3.93Å; M125-V208 HydrophobicContact CB-CG1 3.67Å; M125-V208 HydrophobicContact CG-CG1 4.21Å; M125-V208 HydrophobicContact SD-CB 4.4Å; M125-V208 HydrophobicContact SD-CG1 3.76Å; W149-V208 HydrophobicContact CE3-CG2 4.07Å; W149-V208 HydrophobicContact CH2-CB 4.12Å; W149-V208 HydrophobicContact CH2-CG2 3.46Å; W149-V208 VanDerWaalsContact CH2-CG2 3.46Å; W149-V208 HydrophobicContact CZ2-CG2 4.4Å; W149-V208 HydrophobicContact CZ3-CB 4.39Å; W149-V208 HydrophobicContact CZ3-CG2 3.27Å; V204-V208 HydrophobicContact CG1-CG2 4.01Å; V204-V208 WeakPolarHBondContact O-CG2 3.48Å; V204-V208 PolarHBondContact O-N 3.16Å; V208-L210 VanDerWaalsContact C-N 3.34Å; V208-L210 PolarHBondContact O-N 2.97Å; V208-R211 PolarHBondContact O-N 3.2Å; V208-A212 WeakPolarHBondContact O-CB 3.35Å; V208-A212 PolarHBondContact O-N 2.92Å
209	K	90.9	Very high	91	Very high	60 Å²	60	36.7 Å²	36.7	26%	0.261	16%	0.163	S	C	.	.	H	α-helix	trans	-63.6	-40.1	-178.6	-169.4	161.5	-173.1	118.5	0	112	I121 A205 C206 A212 L213 I242	I121-K209 HydrophobicContact CG2-CB 4.22Å; A205-K209 WeakPolarHBondContact O-CB 3.39Å; A205-K209 PolarHBondContact O-N 3.35Å; C206-K209 PolarHBondContact O-N 3.24Å; K209-A212 PolarHBondContact O-N 3.46Å; K209-L213 HydrophobicContact CG-CD1 4.01Å; K209-L213 WeakPolarHBondContact O-CB 3.46Å; K209-L213 VanDerWaalsContact O-CG 3.32Å; K209-L213 WeakPolarHBondContact O-CG 3.14Å; K209-L213 PolarHBondContact O-N 3.26Å; K209-I242 HydrophobicContact CG-CG2 4.04Å; K209-I242 PolarHBondContact NZ-O 3.35Å
210	L	92	Very high	90.9	Very high	25 Å²	25	36 Å²	36	13%	0.131	16%	0.16	C	C	.	.	H	α-helix	trans	-63	-42.5	176.2	-176.9	61	0	0	0	111.7	I173 Y178 I180 C206 V208 T214	I173-L210 HydrophobicContact CG2-CD2 4.11Å; Y178-L210 HydrophobicContact CD1-CD1 4.34Å; Y178-L210 HydrophobicContact CD1-CD2 3.85Å; Y178-L210 HydrophobicContact CD1-CG 3.89Å; Y178-L210 HydrophobicContact CD2-CD2 3.47Å; Y178-L210 VanDerWaalsContact CD2-CD2 3.47Å; Y178-L210 HydrophobicContact CD2-CG 4.28Å; Y178-L210 HydrophobicContact CE1-CD2 4.04Å; Y178-L210 HydrophobicContact CE1-CG 3.77Å; Y178-L210 HydrophobicContact CE2-CD2 3.67Å; Y178-L210 HydrophobicContact CE2-CG 4.16Å; Y178-L210 HydrophobicContact CG-CD2 3.57Å; Y178-L210 HydrophobicContact CG-CG 4.15Å; I180-L210 HydrophobicContact CD1-CD1 3.73Å; I180-L210 HydrophobicContact CD1-CD2 4.01Å; C206-L210 WeakPolarHBondContact O-CB 3.33Å; C206-L210 PolarHBondContact O-N 3.11Å; V208-L210 VanDerWaalsContact C-N 3.34Å; V208-L210 PolarHBondContact O-N 2.97Å; L210-T214 VanDerWaalsContact O-CB 3.27Å; L210-T214 WeakPolarHBondContact O-CB 3.42Å; L210-T214 PolarHBondContact O-N 3.29Å; L210-T214 PolarHBondContact O-OG1 2.6Å
211	R	88.4	Confident	91	Very high	50 Å²	50	36.1 Å²	36.1	19%	0.189	16%	0.161	C	C	.	.	H	α-helix	trans	-62.5	-52.3	175.2	177.6	172.2	172.7	-167.6	-0.8	111.4	M125 W149 C207 V208 L213 T214 D215	M125-R211 HydrophobicContact SD-CB 4.12Å; M125-R211 HydrophobicContact SD-CG 3.99Å; W149-R211 HydrophobicContact CZ2-CB 4.26Å; C207-R211 WeakPolarHBondContact O-CB 3.43Å; C207-R211 PolarHBondContact O-N 3.33Å; V208-R211 PolarHBondContact O-N 3.2Å; R211-L213 VanDerWaalsContact C-N 3.35Å; R211-L213 PolarHBondContact O-N 3.46Å; R211-T214 PolarHBondContact O-N 3.3Å; R211-T214 VanDerWaalsContact O-N 3.12Å; R211-D215 IonicContact NE-OD2 3.62Å; R211-D215 WeakPolarHBondContact O-CB 3.37Å; R211-D215 PolarHBondContact O-N 3.14Å
212	A	88.1	Confident	91	Very high	3 Å²	3	41 Å²	41	3%	0.025	19%	0.191	C	C	.	.	H	α-helix	trans	-57.3	-46	-178.4	0	0	0	0	0	112.2	M125 V208 K209 D215 N216 I242	M125-A212 HydrophobicContact CB-CB 4.03Å; M125-A212 HydrophobicContact CG-CB 3.92Å; V208-A212 WeakPolarHBondContact O-CB 3.35Å; V208-A212 PolarHBondContact O-N 2.92Å; K209-A212 PolarHBondContact O-N 3.46Å; A212-D215 PolarHBondContact O-N 3.43Å; A212-N216 WeakPolarHBondContact O-CB 3.27Å; A212-N216 PolarHBondContact O-N 2.95Å; A212-N216 PolarHBondContact O-ND2 3.22Å; A212-N216 VanDerWaalsContact O-ND2 3.12Å; A212-I242 HydrophobicContact CB-CD1 3.67Å; A212-I242 HydrophobicContact CB-CG1 4.11Å; A212-I242 HydrophobicContact CB-CG2 3.79Å
213	L	90.9	Very high	90.9	Very high	64 Å²	64	47.2 Å²	47.2	34%	0.335	22%	0.222	S	C	.	.	H	α-helix	trans	-66.7	-38.6	177	-70.1	171.3	0	0	0	112.2	K209 R211 N216 F217 T239 I242	K209-L213 HydrophobicContact CG-CD1 4.01Å; K209-L213 WeakPolarHBondContact O-CB 3.46Å; K209-L213 VanDerWaalsContact O-CG 3.32Å; K209-L213 WeakPolarHBondContact O-CG 3.14Å; K209-L213 PolarHBondContact O-N 3.26Å; R211-L213 VanDerWaalsContact C-N 3.35Å; R211-L213 PolarHBondContact O-N 3.46Å; L213-N216 PolarHBondContact O-N 3.27Å; L213-F217 WeakPolarHBondContact O-CB 3.45Å; L213-F217 PolarHBondContact O-N 3.07Å; L213-T239 HydrophobicContact CD2-CG2 4.29Å; L213-I242 HydrophobicContact CD2-CD1 3.64Å; L213-I242 HydrophobicContact CG-CD1 3.96Å
214	T	90.9	Very high	90.7	Very high	28 Å²	28	52.7 Å²	52.7	17%	0.172	25%	0.247	C	C	.	.	H	α-helix	trans	-65.2	-44.3	176.5	-59.8	0	0	0	0	111.1	Y178 L210 R211 F217 R218	Y178-T214 HydrophobicContact CE1-CG2 4.25Å; L210-T214 VanDerWaalsContact O-CB 3.27Å; L210-T214 WeakPolarHBondContact O-CB 3.42Å; L210-T214 PolarHBondContact O-N 3.29Å; L210-T214 PolarHBondContact O-OG1 2.6Å; R211-T214 PolarHBondContact O-N 3.3Å; R211-T214 VanDerWaalsContact O-N 3.12Å; T214-F217 PolarHBondContact O-N 3.48Å; T214-R218 HydrophobicContact CG2-CG 4.31Å; T214-R218 WeakPolarHBondContact O-CB 3.41Å; T214-R218 VanDerWaalsContact O-CG 3.28Å; T214-R218 WeakPolarHBondContact O-CG 3.43Å; T214-R218 PolarHBondContact O-N 2.8Å
215	D	87.7	Confident	90.7	Very high	53 Å²	53	58 Å²	58	28%	0.283	27%	0.273	S	S	.	.	H	α-helix	trans	-63.8	-42.3	178.2	-72.5	-18.3	0	0	0	110.9	R211 A212 F217 R218 R219	R211-D215 IonicContact NE-OD2 3.62Å; R211-D215 WeakPolarHBondContact O-CB 3.37Å; R211-D215 PolarHBondContact O-N 3.14Å; A212-D215 PolarHBondContact O-N 3.43Å; D215-F217 PolarHBondContact O-N 3Å; D215-R218 PolarHBondContact O-N 2.77Å; D215-R219 WeakPolarHBondContact O-CB 3.08Å; D215-R219 VanDerWaalsContact O-CG 3.27Å; D215-R219 WeakPolarHBondContact O-CG 3.22Å; D215-R219 PolarHBondContact O-N 3.45Å
216	N	88.7	Confident	90.6	Very high	37 Å²	37	59.5 Å²	59.5	20%	0.198	29%	0.288	C	S	.	.	H	α-helix	trans	-62.1	-39.6	174.1	-86	-49.6	0	0	0	113.4	A212 L213 R220	A212-N216 WeakPolarHBondContact O-CB 3.27Å; A212-N216 PolarHBondContact O-N 2.95Å; A212-N216 PolarHBondContact O-ND2 3.22Å; A212-N216 VanDerWaalsContact O-ND2 3.12Å; L213-N216 PolarHBondContact O-N 3.27Å; N216-R220 PolarHBondContact O-NH1 2.87Å
217	F	91.6	Very high	90.5	Very high	61 Å²	61	62.3 Å²	62.3	27%	0.268	31%	0.308	S	S	.	.	H	α-helix	trans	-67.1	-46.8	175.7	-168.6	-106	0	0	0	111.4	Y3 L213 T214 D215 R219 R220 D221 V228 F230	Y3-F217 AromaticContact CE1-CD1 3.51Å; Y3-F217 HydrophobicContact CE1-CD1 3.51Å; Y3-F217 AromaticContact CE1-CE1 3.66Å; Y3-F217 HydrophobicContact CE1-CE1 3.66Å; Y3-F217 AromaticContact CZ-CD1 3.66Å; Y3-F217 AromaticContact CZ-CE1 3.66Å; Y3-F217 VanDerWaalsContact OH-CD1 3.26Å; Y3-F217 WeakPolarHBondContact OH-CD1 3.41Å; Y3-F217 WeakPolarHBondContact OH-CE1 3.16Å; L213-F217 WeakPolarHBondContact O-CB 3.45Å; L213-F217 PolarHBondContact O-N 3.07Å; T214-F217 PolarHBondContact O-N 3.48Å; D215-F217 PolarHBondContact O-N 3Å; F217-R219 PolarHBondContact O-N 2.71Å; F217-R220 PolarHBondContact O-N 3.39Å; F217-R220 VanDerWaalsContact O-N 3.1Å; F217-D221 PolarHBondContact O-N 3Å; F217-V228 HydrophobicContact CD2-CB 4.17Å; F217-V228 HydrophobicContact CD2-CG2 3.85Å; F217-V228 HydrophobicContact CE1-CG2 4.39Å; F217-V228 HydrophobicContact CE2-CB 3.78Å; F217-V228 HydrophobicContact CE2-CG2 3.64Å; F217-V228 HydrophobicContact CG-CG2 4.29Å; F217-V228 HydrophobicContact CZ-CB 4.38Å; F217-V228 HydrophobicContact CZ-CG2 3.93Å; F217-F230 HydrophobicContact CD2-CE2 4.19Å; F217-F230 HydrophobicContact CD2-CZ 4.34Å; F217-F230 HydrophobicContact CE2-CE2 4.41Å
218	R	90.1	Very high	90.6	Very high	100 Å²	100	64 Å²	64	38%	0.377	32%	0.318	S	S	.	.	H	α-helix	trans	-63	-37.7	179.4	-74	-177.3	73.6	168.6	5.6	113.2	Y3 T214 D215 R220 D221	Y3-R218 HydrophobicContact CD1-CG 3.92Å; Y3-R218 HydrophobicContact CD2-CG 3.69Å; Y3-R218 HydrophobicContact CE1-CG 4.32Å; Y3-R218 HydrophobicContact CE2-CG 4.11Å; Y3-R218 HydrophobicContact CG-CG 3.59Å; T214-R218 HydrophobicContact CG2-CG 4.31Å; T214-R218 WeakPolarHBondContact O-CB 3.41Å; T214-R218 VanDerWaalsContact O-CG 3.28Å; T214-R218 WeakPolarHBondContact O-CG 3.43Å; T214-R218 PolarHBondContact O-N 2.8Å; D215-R218 PolarHBondContact O-N 2.77Å; R218-R220 PolarHBondContact O-N 3.29Å; R218-D221 PolarHBondContact O-N 2.77Å
219	R	89.1	Confident	90.7	Very high	150 Å²	150	69.2 Å²	69.2	57%	0.566	36%	0.355	S	S	*	.	H	α-helix	trans	-60.2	-29.9	175.4	-77.2	174.8	-177.1	179	3.4	112.2	D215 F217	D215-R219 WeakPolarHBondContact O-CB 3.08Å; D215-R219 VanDerWaalsContact O-CG 3.27Å; D215-R219 WeakPolarHBondContact O-CG 3.22Å; D215-R219 PolarHBondContact O-N 3.45Å; F217-R219 PolarHBondContact O-N 2.71Å
220	R	91.2	Very high	90.8	Very high	78 Å²	78	69.4 Å²	69.4	29%	0.294	36%	0.355	S	S	.	.	H	α-helix	trans	-93.6	-31.1	179.8	-68.6	171.3	173.6	67.3	5.3	113	N216 F217 R218 T222 V228 D234 C238	N216-R220 PolarHBondContact O-NH1 2.87Å; F217-R220 PolarHBondContact O-N 3.39Å; F217-R220 VanDerWaalsContact O-N 3.1Å; R218-R220 PolarHBondContact O-N 3.29Å; R220-T222 PolarHBondContact O-N 3.32Å; R220-V228 HydrophobicContact CB-CB 4.46Å; R220-V228 HydrophobicContact CB-CG1 3.5Å; R220-V228 VanDerWaalsContact CB-CG1 3.5Å; R220-V228 HydrophobicContact CB-CG2 4.06Å; R220-V228 HydrophobicContact CG-CG1 4.4Å; R220-D234 IonicContact CZ-OD1 2.59Å; R220-D234 IonicContact CZ-OD2 2.7Å; R220-D234 IonicContact NE-OD1 3.23Å; R220-D234 IonicContact NE-OD2 3.66Å; R220-D234 PolarHBondContact NE-OD2 2.89Å; R220-D234 IonicContact NH2-OD1 2.68Å; R220-D234 PolarHBondContact NH2-OD1 3.29Å; R220-D234 IonicContact NH2-OD2 3.43Å; R220-D234 PolarHBondContact NH2-OD2 2.76Å; R220-C238 PolarHBondContact NH1-SG 2.88Å; R220-C238 PolarHBondContact NH2-SG 3.17Å
221	D	93.4	Very high	90.9	Very high	6 Å²	6	75.2 Å²	75.2	3%	0.032	38%	0.382	C	S	.	.			trans	-78.2	63.5	174	-171	16.7	0	0	0	112.2	Y3 F217 R218 M223 Q224 Q225 G226 V228	Y3-D221 HydrophobicContact CE2-CB 4.3Å; Y3-D221 VanDerWaalsContact CE2-OD2 3.28Å; Y3-D221 WeakPolarHBondContact CE2-OD2 3.4Å; Y3-D221 PolarHBondContact OH-OD2 3.15Å; F217-D221 PolarHBondContact O-N 3Å; R218-D221 PolarHBondContact O-N 2.77Å; D221-M223 PolarHBondContact O-N 3.11Å; D221-Q224 PolarHBondContact O-N 2.98Å; D221-Q224 WeakPolarHBondContact OD1-CA 3.44Å; D221-Q224 PolarHBondContact OD1-N 2.83Å; D221-Q224 VanDerWaalsContact OD2-C 3.25Å; D221-Q224 WeakPolarHBondContact OD2-CA 3.3Å; D221-Q225 WeakPolarHBondContact OD1-CG 3.18Å; D221-Q225 PolarHBondContact OD1-N 3.12Å; D221-Q225 PolarHBondContact OD2-N 2.96Å; D221-Q225 VanDerWaalsContact OD2-N 3.09Å; D221-G226 PolarHBondContact OD2-N 2.85Å; D221-V228 HydrophobicContact CB-CG2 3.64Å
222	T	90.9	Very high	91.2	Very high	120 Å²	120	80.9 Å²	80.9	74%	0.736	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.7	-26.6	179.4	54.7	0	0	0	0	113	R220	R220-T222 PolarHBondContact O-N 3.32Å
223	M	91.6	Very high	91.4	Very high	146 Å²	146	86.9 Å²	86.9	72%	0.719	44%	0.436	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.8	-3.7	179.4	-63.6	-177.8	66	0	0	113.8	D221 Q225	D221-M223 PolarHBondContact O-N 3.11Å; M223-Q225 HydrophobicContact CB-CG 4.44Å; M223-Q225 PolarHBondContact O-N 3.35Å
224	Q	89.9	Confident	91.4	Very high	116 Å²	116	86 Å²	86	54%	0.542	43%	0.431	S	S	.	.			trans	53.3	32.1	-178.3	-56.2	-173.8	14.8	0	0	114.4	M1 D221 G226	M1-Q224 PolarHBondContact N-O 3.25Å; D221-Q224 PolarHBondContact O-N 2.98Å; D221-Q224 WeakPolarHBondContact OD1-CA 3.44Å; D221-Q224 PolarHBondContact OD1-N 2.83Å; D221-Q224 VanDerWaalsContact OD2-C 3.25Å; D221-Q224 WeakPolarHBondContact OD2-CA 3.3Å; Q224-G226 VanDerWaalsContact C-N 3.32Å
225	Q	91.9	Very high	91.5	Very high	113 Å²	113	89.4 Å²	89.4	53%	0.528	44%	0.444	S	S	.	.	S	Bend	trans	-83.5	-10.8	-176.5	62.6	-179.1	14.8	0	0	112.7	D221 M223 S227	D221-Q225 WeakPolarHBondContact OD1-CG 3.18Å; D221-Q225 PolarHBondContact OD1-N 3.12Å; D221-Q225 PolarHBondContact OD2-N 2.96Å; D221-Q225 VanDerWaalsContact OD2-N 3.09Å; M223-Q225 HydrophobicContact CB-CG 4.44Å; M223-Q225 PolarHBondContact O-N 3.35Å; Q225-S227 PolarHBondContact NE2-O 3.28Å; Q225-S227 VanDerWaalsContact NE2-O 3.11Å; Q225-S227 PolarHBondContact NE2-OG 2.75Å; Q225-S227 VanDerWaalsContact NE2-OG 3.15Å
226	G	89.8	Confident	91.7	Very high	35 Å²	35	89.8 Å²	89.8	36%	0.361	45%	0.446	S	S	.	.	S	Bend	trans	85.5	11.9	-178.4	0	0	0	0	0	113.9	Y3 D221 Q224	Y3-G226 WeakPolarHBondContact OH-CA 3.28Å; D221-G226 PolarHBondContact OD2-N 2.85Å; Q224-G226 VanDerWaalsContact C-N 3.32Å
227	S	91.4	Very high	91.7	Very high	63 Å²	63	92.1 Å²	92.1	44%	0.441	46%	0.458	S	S	.	.			trans	-146	140	-179.5	63.7	0	0	0	0	111.6	Q225	Q225-S227 PolarHBondContact NE2-O 3.28Å; Q225-S227 VanDerWaalsContact NE2-O 3.11Å; Q225-S227 PolarHBondContact NE2-OG 2.75Å; Q225-S227 VanDerWaalsContact NE2-OG 3.15Å
228	V	92.8	Very high	91.4	Very high	35 Å²	35	89.7 Å²	89.7	21%	0.212	45%	0.448	C	S	.	.			trans	-132.4	140.6	-179.1	177.4	0	0	0	0	108.8	F217 R220 D221 F230	F217-V228 HydrophobicContact CD2-CB 4.17Å; F217-V228 HydrophobicContact CD2-CG2 3.85Å; F217-V228 HydrophobicContact CE1-CG2 4.39Å; F217-V228 HydrophobicContact CE2-CB 3.78Å; F217-V228 HydrophobicContact CE2-CG2 3.64Å; F217-V228 HydrophobicContact CG-CG2 4.29Å; F217-V228 HydrophobicContact CZ-CB 4.38Å; F217-V228 HydrophobicContact CZ-CG2 3.93Å; R220-V228 HydrophobicContact CB-CB 4.46Å; R220-V228 HydrophobicContact CB-CG1 3.5Å; R220-V228 VanDerWaalsContact CB-CG1 3.5Å; R220-V228 HydrophobicContact CB-CG2 4.06Å; R220-V228 HydrophobicContact CG-CG1 4.4Å; D221-V228 HydrophobicContact CB-CG2 3.64Å; V228-F230 HydrophobicContact CB-CD2 4.33Å; V228-F230 HydrophobicContact CB-CE2 3.8Å; V228-F230 HydrophobicContact CB-CZ 4.4Å; V228-F230 HydrophobicContact CG1-CD2 3.94Å; V228-F230 HydrophobicContact CG1-CE1 4.5Å; V228-F230 HydrophobicContact CG1-CE2 3.58Å; V228-F230 HydrophobicContact CG1-CZ 3.89Å
229	S	93.1	Very high	91.3	Very high	111 Å²	111	86.7 Å²	86.7	78%	0.776	44%	0.441	S	S	*	.			trans	-93.6	129.4	168.2	-173.7	0	0	0	0	109.3
230	F	92.8	Very high	91.2	Very high	63 Å²	63	86.6 Å²	86.6	28%	0.276	45%	0.449	S	S	.	.			trans	-111.4	137.7	176.8	-73.6	-91.4	0	0	0	110.4	F217 V228 F235 C238	F217-F230 HydrophobicContact CD2-CE2 4.19Å; F217-F230 HydrophobicContact CD2-CZ 4.34Å; F217-F230 HydrophobicContact CE2-CE2 4.41Å; V228-F230 HydrophobicContact CB-CD2 4.33Å; V228-F230 HydrophobicContact CB-CE2 3.8Å; V228-F230 HydrophobicContact CB-CZ 4.4Å; V228-F230 HydrophobicContact CG1-CD2 3.94Å; V228-F230 HydrophobicContact CG1-CE1 4.5Å; V228-F230 HydrophobicContact CG1-CE2 3.58Å; V228-F230 HydrophobicContact CG1-CZ 3.89Å; F230-F235 HydrophobicContact CB-CB 3.97Å; F230-F235 HydrophobicContact CD1-CB 4.38Å; F230-F235 HydrophobicContact CG-CB 4.36Å; F230-C238 HydrophobicContact CE1-CB 4.45Å
231	Q	95.4	Very high	90.7	Very high	147 Å²	147	84.7 Å²	84.7	69%	0.687	45%	0.45	S	S	*	.			trans	-72.1	151.4	157	-65.8	-61	-45.2	0	0	108.9	D233 D234 F235	Q231-D233 PolarHBondContact O-N 3.5Å; Q231-D234 HydrophobicContact CB-CB 4.22Å; Q231-D234 PolarHBondContact O-N 3.37Å; Q231-F235 PolarHBondContact O-N 3.25Å
232	Y	93.6	Very high	89.8	Confident	170 Å²	170	85.6 Å²	85.6	67%	0.667	45%	0.454	S	S	*	.	H	α-helix	trans	-56.1	-49.4	-176.9	176.1	-105.3	0	0	0	112.1	D234 F235 I236	Y232-D234 VanDerWaalsContact C-N 3.31Å; Y232-D234 PolarHBondContact O-N 3.03Å; Y232-F235 WeakPolarHBondContact O-CB 3.28Å; Y232-F235 PolarHBondContact O-N 2.72Å; Y232-F235 VanDerWaalsContact O-N 3.17Å; Y232-I236 HydrophobicContact CD1-CG1 4.38Å; Y232-I236 HydrophobicContact CD2-CG1 4.38Å; Y232-I236 HydrophobicContact CE1-CG1 3.94Å; Y232-I236 HydrophobicContact CE2-CD1 3.96Å; Y232-I236 HydrophobicContact CE2-CG1 3.93Å; Y232-I236 WeakPolarHBondContact O-CG1 3.21Å; Y232-I236 PolarHBondContact O-N 3.02Å
233	D	93.5	Very high	89.8	Confident	128 Å²	128	83.9 Å²	83.9	68%	0.684	44%	0.44	S	S	*	.	H	α-helix	trans	-63.4	-38.1	-179.8	-64.2	-18.2	0	0	0	112.2	Q231 I236 L237	Q231-D233 PolarHBondContact O-N 3.5Å; D233-I236 PolarHBondContact O-N 2.86Å; D233-L237 WeakPolarHBondContact O-CB 3.25Å; D233-L237 PolarHBondContact O-N 2.99Å
234	D	90.3	Very high	89.7	Confident	45 Å²	45	80.6 Å²	80.6	24%	0.241	43%	0.426	C	S	.	.	H	α-helix	trans	-66.4	-38.8	176.5	-172.1	39.3	0	0	0	111.6	R220 Q231 Y232 L237 C238	R220-D234 IonicContact CZ-OD1 2.59Å; R220-D234 IonicContact CZ-OD2 2.7Å; R220-D234 IonicContact NE-OD1 3.23Å; R220-D234 IonicContact NE-OD2 3.66Å; R220-D234 PolarHBondContact NE-OD2 2.89Å; R220-D234 IonicContact NH2-OD1 2.68Å; R220-D234 PolarHBondContact NH2-OD1 3.29Å; R220-D234 IonicContact NH2-OD2 3.43Å; R220-D234 PolarHBondContact NH2-OD2 2.76Å; Q231-D234 HydrophobicContact CB-CB 4.22Å; Q231-D234 PolarHBondContact O-N 3.37Å; Y232-D234 VanDerWaalsContact C-N 3.31Å; Y232-D234 PolarHBondContact O-N 3.03Å; D234-L237 PolarHBondContact O-N 3.25Å; D234-C238 WeakPolarHBondContact O-CB 3.36Å; D234-C238 PolarHBondContact O-N 2.89Å; D234-C238 PolarHBondContact O-SG 2.81Å
235	F	92.1	Very high	89.7	Confident	101 Å²	101	78.6 Å²	78.6	44%	0.443	42%	0.419	S	S	.	.	H	α-helix	trans	-62.9	-45.9	173.8	174.1	-100.7	0	0	0	111.6	F230 Q231 Y232 C238 T239	F230-F235 HydrophobicContact CB-CB 3.97Å; F230-F235 HydrophobicContact CD1-CB 4.38Å; F230-F235 HydrophobicContact CG-CB 4.36Å; Q231-F235 PolarHBondContact O-N 3.25Å; Y232-F235 WeakPolarHBondContact O-CB 3.28Å; Y232-F235 PolarHBondContact O-N 2.72Å; Y232-F235 VanDerWaalsContact O-N 3.17Å; F235-C238 PolarHBondContact O-N 3.07Å; F235-T239 HydrophobicContact CD2-CG2 4.07Å; F235-T239 HydrophobicContact CE1-CG2 4.45Å; F235-T239 HydrophobicContact CE2-CG2 3.69Å; F235-T239 HydrophobicContact CZ-CG2 3.9Å; F235-T239 WeakPolarHBondContact O-CB 3.19Å; F235-T239 WeakPolarHBondContact O-CG2 3.35Å; F235-T239 PolarHBondContact O-N 3.47Å; F235-T239 VanDerWaalsContact O-N 3.1Å; F235-T239 PolarHBondContact O-OG1 3.17Å
236	I	93.1	Very high	89.5	Confident	61 Å²	61	76.6 Å²	76.6	31%	0.313	41%	0.413	S	S	.	.	H	α-helix	trans	-61.8	-47.6	177.4	-65.2	-60	0	0	0	110.3	Y232 D233 C238 T239 M240	Y232-I236 HydrophobicContact CD1-CG1 4.38Å; Y232-I236 HydrophobicContact CD2-CG1 4.38Å; Y232-I236 HydrophobicContact CE1-CG1 3.94Å; Y232-I236 HydrophobicContact CE2-CD1 3.96Å; Y232-I236 HydrophobicContact CE2-CG1 3.93Å; Y232-I236 WeakPolarHBondContact O-CG1 3.21Å; Y232-I236 PolarHBondContact O-N 3.02Å; D233-I236 PolarHBondContact O-N 2.86Å; I236-C238 PolarHBondContact O-N 3.21Å; I236-T239 PolarHBondContact O-N 3.5Å; I236-T239 PolarHBondContact O-OG1 2.98Å; I236-M240 HydrophobicContact CG2-CB 4.46Å; I236-M240 HydrophobicContact CG2-CG 4.01Å; I236-M240 VanDerWaalsContact O-CB 3.26Å; I236-M240 WeakPolarHBondContact O-CB 3.28Å; I236-M240 WeakPolarHBondContact O-CG 3.37Å; I236-M240 PolarHBondContact O-N 2.9Å
237	L	87.6	Confident	89.5	Confident	85 Å²	85	79.2 Å²	79.2	45%	0.445	42%	0.416	S	S	.	.	H	α-helix	trans	-57.2	-48.1	176.7	-177.6	66.1	0	0	0	111.4	F130 D233 D234 T239 A241	F130-L237 HydrophobicContact CE1-CD1 4.23Å; F130-L237 HydrophobicContact CZ-CD1 4.28Å; F130-L237 HydrophobicContact CZ-CD2 4.42Å; F130-L237 HydrophobicContact CZ-CG 4.36Å; D233-L237 WeakPolarHBondContact O-CB 3.25Å; D233-L237 PolarHBondContact O-N 2.99Å; D234-L237 PolarHBondContact O-N 3.25Å; L237-T239 VanDerWaalsContact C-N 3.26Å; L237-T239 PolarHBondContact O-N 3.37Å; L237-A241 HydrophobicContact CD1-CB 4.48Å; L237-A241 WeakPolarHBondContact O-CB 3.46Å; L237-A241 PolarHBondContact O-N 3.28Å
238	C	86.4	Confident	89.4	Confident	10 Å²	10	80.3 Å²	80.3	7%	0.068	41%	0.414	C	S	.	.	H	α-helix	trans	-65.5	-25.3	-178.6	-71.9	0	0	0	0	114.5	R220 F230 D234 F235 I236 I242	R220-C238 PolarHBondContact NH1-SG 2.88Å; R220-C238 PolarHBondContact NH2-SG 3.17Å; F230-C238 HydrophobicContact CE1-CB 4.45Å; D234-C238 WeakPolarHBondContact O-CB 3.36Å; D234-C238 PolarHBondContact O-N 2.89Å; D234-C238 PolarHBondContact O-SG 2.81Å; F235-C238 PolarHBondContact O-N 3.07Å; I236-C238 PolarHBondContact O-N 3.21Å; C238-I242 WeakPolarHBondContact O-CD1 3.34Å
239	T	87.4	Confident	89.2	Confident	38 Å²	38	83.5 Å²	83.5	23%	0.233	43%	0.429	C	S	.	.	H	α-helix	trans	-105.5	-31.5	-171.8	53.8	0	0	0	0	113.5	L213 F235 I236 L237	L213-T239 HydrophobicContact CD2-CG2 4.29Å; F235-T239 HydrophobicContact CD2-CG2 4.07Å; F235-T239 HydrophobicContact CE1-CG2 4.45Å; F235-T239 HydrophobicContact CE2-CG2 3.69Å; F235-T239 HydrophobicContact CZ-CG2 3.9Å; F235-T239 WeakPolarHBondContact O-CB 3.19Å; F235-T239 WeakPolarHBondContact O-CG2 3.35Å; F235-T239 PolarHBondContact O-N 3.47Å; F235-T239 VanDerWaalsContact O-N 3.1Å; F235-T239 PolarHBondContact O-OG1 3.17Å; I236-T239 PolarHBondContact O-N 3.5Å; I236-T239 PolarHBondContact O-OG1 2.98Å; L237-T239 VanDerWaalsContact C-N 3.26Å; L237-T239 PolarHBondContact O-N 3.37Å
240	M	87.4	Confident	88.9	Confident	147 Å²	147	81.4 Å²	81.4	72%	0.724	40%	0.402	S	S	*	.	H	α-helix	trans	-95.1	-22.3	-177	-63	-61.9	-64	0	0	113	I236 I242	I236-M240 HydrophobicContact CG2-CB 4.46Å; I236-M240 HydrophobicContact CG2-CG 4.01Å; I236-M240 VanDerWaalsContact O-CB 3.26Å; I236-M240 WeakPolarHBondContact O-CB 3.28Å; I236-M240 WeakPolarHBondContact O-CG 3.37Å; I236-M240 PolarHBondContact O-N 2.9Å; M240-I242 PolarHBondContact O-N 3.04Å
241	A	80.6	Confident	88.5	Confident	39 Å²	39	82.9 Å²	82.9	32%	0.322	41%	0.412	S	S	.	.			trans	-74.2	-5.1	173.9	0	0	0	0	0	113.1	A124 F130 L237	A124-A241 VanDerWaalsContact CB-O 3.26Å; A124-A241 WeakPolarHBondContact CB-O 3.5Å; F130-A241 HydrophobicContact CD1-CB 4.18Å; F130-A241 HydrophobicContact CE1-CB 3.81Å; L237-A241 HydrophobicContact CD1-CB 4.48Å; L237-A241 WeakPolarHBondContact O-CB 3.46Å; L237-A241 PolarHBondContact O-N 3.28Å
242	I	75.1	Confident	87.9	Confident	24 Å²	24	77.1 Å²	77.1	12%	0.123	39%	0.388	C	S	.	.			trans	-109.1	0	179.7	-54.2	165.1	0	0	0	112.3	I121 K209 A212 L213 C238 M240	I121-I242 WeakPolarHBondContact CG1-OXT 3.23Å; I121-I242 HydrophobicContact CG2-CG2 4.16Å; K209-I242 HydrophobicContact CG-CG2 4.04Å; K209-I242 PolarHBondContact NZ-O 3.35Å; A212-I242 HydrophobicContact CB-CD1 3.67Å; A212-I242 HydrophobicContact CB-CG1 4.11Å; A212-I242 HydrophobicContact CB-CG2 3.79Å; L213-I242 HydrophobicContact CD2-CD1 3.64Å; L213-I242 HydrophobicContact CG-CD1 3.96Å; C238-I242 WeakPolarHBondContact O-CD1 3.34Å; M240-I242 PolarHBondContact O-N 3.04Å

Retrieved 242 of 242 residues in 186.6 ms (Link to these results)

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