A0A087XV36_POEFO Loading...

Suppressor of cytokine signaling 1a

AlphaFold DB , UniProt , Accession A0A087XV36, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 222 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

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	A	34.6	Very low	38.6	Very low	147 Å²	147	103.4 Å²	103.4	100%	1.215	61%	0.613	S	S	*	*				0	111.4	0	0	0	0	0	0	108.4	L3	A1-L3 PolarHBondContact O-N 3.05Å
2	S	33.3	Very low	38.1	Very low	94 Å²	94	104.4 Å²	104.4	66%	0.657	62%	0.622	S	S	*	*			trans	-82.2	106.5	-176.9	-161.7	0	0	0	0	109.7	H4	S2-H4 PolarHBondContact O-N 3.02Å
3	L	36.4	Very low	37.9	Very low	120 Å²	120	107.1 Å²	107.1	63%	0.628	64%	0.639	S	S	*	*			trans	-76	113.4	176.7	-83.3	147.8	0	0	0	108.9	A1 C5 K74	A1-L3 PolarHBondContact O-N 3.05Å; L3-C5 PolarHBondContact O-N 2.87Å; L3-K74 HydrophobicContact CD1-CD 4.39Å
4	H	39.4	Very low	37.5	Very low	138 Å²	138	110.1 Å²	110.1	64%	0.639	65%	0.65	S	S	*	*			trans	-80.2	94	173.1	-81	71.7	0	0	0	109.8	S2 R6	S2-H4 PolarHBondContact O-N 3.02Å; H4-R6 PolarHBondContact O-N 2.74Å
5	C	40.9	Very low	37.1	Very low	49 Å²	49	106.9 Å²	106.9	33%	0.331	65%	0.649	S	S	.	*			trans	-76.5	115.4	160.6	-64.1	0	0	0	0	108.6	L3 F71 C77	L3-C5 PolarHBondContact O-N 2.87Å; C5-F71 HydrophobicContact CB-CD2 3.85Å; C5-F71 HydrophobicContact CB-CE2 3.87Å; C5-F71 WeakPolarHBondContact O-CE2 3.37Å; C5-C77 HydrophobicContact CB-CB 3.75Å; C5-C77 WeakPolarHBondContact CB-SG 3.35Å; C5-C77 WeakPolarHBondContact SG-CB 3.45Å; C5-C77 CovalentContact SG-SG 2.02Å; C5-C77 PolarHBondContact SG-SG 2.82Å
6	R	46.6	Very low	36.9	Very low	161 Å²	161	111.8 Å²	111.8	61%	0.608	66%	0.662	S	S	*	*			trans	-98.8	119.8	177.6	-71.8	180	173.6	175.2	-4.1	109.2	H4	H4-R6 PolarHBondContact O-N 2.74Å
7	M	46	Very low	36.6	Very low	45 Å²	45	116.2 Å²	116.2	22%	0.222	68%	0.675	C	S	.	*			trans	-73.7	122.7	153.2	-79.5	-153.8	-159.3	0	0	107.6	F68 I80 A84 F125 F126	M7-F68 HydrophobicContact CB-CD2 4.03Å; M7-F68 HydrophobicContact CB-CE2 4.21Å; M7-I80 HydrophobicContact CE-CG2 3.06Å; M7-A84 HydrophobicContact CE-CB 4.15Å; M7-F125 HydrophobicContact CE-CD1 3.76Å; M7-F125 HydrophobicContact CE-CE1 4.16Å; M7-F125 HydrophobicContact CE-CG 4.5Å; M7-F125 HydrophobicContact SD-CD1 4.28Å; M7-F126 HydrophobicContact CE-CZ 3.98Å
8	V	45.2	Very low	36.4	Very low	123 Å²	123	123.4 Å²	123.4	75%	0.745	69%	0.689	S	S	*	*			trans	-96.4	116	173.7	-178.3	0	0	0	0	106.9	D10	V8-D10 PolarHBondContact O-N 2.8Å
9	A	37.5	Very low	36.1	Very low	54 Å²	54	124 Å²	124	45%	0.446	70%	0.696	S	S	.	*			trans	-80.4	103.7	165.6	0	0	0	0	0	107.1	S11	A9-S11 PolarHBondContact O-N 2.85Å
10	D	33	Very low	35.7	Very low	112 Å²	112	122.7 Å²	122.7	60%	0.599	70%	0.702	S	S	*	*			trans	-75	114.8	172.5	-155.8	-43.6	0	0	0	108.2	V8	V8-D10 PolarHBondContact O-N 2.8Å
11	S	32.1	Very low	35.4	Very low	94 Å²	94	124.6 Å²	124.6	66%	0.657	71%	0.709	S	S	*	*			trans	-110.4	80.4	175.4	-60.1	0	0	0	0	107.9	A9	A9-S11 PolarHBondContact O-N 2.85Å
12	T	32.5	Very low	35.8	Very low	116 Å²	116	123.2 Å²	123.2	71%	0.712	69%	0.687	S	S	*	*			trans	-90.6	107.4	166.4	33.9	0	0	0	0	108.6
13	V	34.8	Very low	35.5	Very low	139 Å²	139	124.4 Å²	124.4	84%	0.842	70%	0.695	S	S	*	*			trans	-106.4	95.1	167.8	-136.7	0	0	0	0	106
14	D	32.8	Very low	35.1	Very low	149 Å²	149	122.9 Å²	122.9	80%	0.797	70%	0.701	S	S	*	*			trans	-94.2	100.2	166.8	-105.3	-65.8	0	0	0	108.1
15	G	31.8	Very low	34.6	Very low	62 Å²	62	122 Å²	122	64%	0.639	71%	0.71	S	S	*	*			trans	-91.2	128.3	162.8	0	0	0	0	0	108.6
16	H	34.1	Very low	34.9	Very low	186 Å²	186	125.7 Å²	125.7	86%	0.861	73%	0.733	S	S	*	*			trans	-137.4	131.5	158.4	-103.1	67.4	0	0	0	110.7
17	E	30.7	Very low	34.3	Very low	186 Å²	186	122.6 Å²	122.6	87%	0.869	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-60.9	148.7	-171	-81.3	161.1	66.2	0	0	115
18	R	33.7	Very low	34.2	Very low	247 Å²	247	125.9 Å²	125.9	93%	0.932	77%	0.767	S	S	*	*	P	Polyproline II helix	trans	-89.7	124.1	159.9	-79.7	-171.3	-173	169.1	2.7	109.9
19	T	29.4	Very low	33.4	Very low	134 Å²	134	128.2 Å²	128.2	82%	0.822	77%	0.774	S	S	*	*	P	Polyproline II helix	trans	-51.5	130.4	169.2	-42.9	0	0	0	0	113.4
20	A	29.7	Very low	33	Very low	98 Å²	98	131 Å²	131	81%	0.81	79%	0.79	S	S	*	*			trans	-143.8	127.1	156.2	0	0	0	0	0	110
21	L	29.2	Very low	32.9	Very low	163 Å²	163	130.6 Å²	130.6	85%	0.853	80%	0.796	S	S	*	*			trans	-94.3	165.7	176.6	-81.5	174.4	0	0	0	111.4
22	P	42.3	Very low	33	Very low	118 Å²	118	131.1 Å²	131.1	77%	0.766	80%	0.8	S	S	*	*			trans	-115.6	173.8	-143.1	41.5	-32.9	0	0	0	115.2
23	S	26.8	Very low	32.9	Very low	118 Å²	118	131.4 Å²	131.4	83%	0.825	80%	0.801	S	S	*	*			trans	-149.2	119.4	155.4	80.4	0	0	0	0	115.2
24	A	28.7	Very low	32.8	Very low	89 Å²	89	135.8 Å²	135.8	74%	0.736	80%	0.803	S	S	*	*			trans	51.7	105	136.5	0	0	0	0	0	122.8
25	S	28.1	Very low	32.7	Very low	120 Å²	120	133 Å²	133	84%	0.839	80%	0.795	S	S	*	*				35.5	169.8	112.4	-55.8	0	0	0	0	122.7
26	P	47.2	Very low	32.5	Very low	125 Å²	125	135.4 Å²	135.4	81%	0.812	80%	0.802	S	S	*	*			cis	-137.3	174.6	-13.1	24.3	-0	0	0	0	115.3
27	A	34.8	Very low	32.4	Very low	97 Å²	97	131.9 Å²	131.9	80%	0.802	80%	0.798	S	S	*	*				159.1	155.4	125	0	0	0	0	0	114
28	P	43.8	Very low	32.2	Very low	113 Å²	113	129.2 Å²	129.2	73%	0.734	80%	0.795	S	S	*	*			trans	-117.7	179.3	-150	40.1	-26.4	0	0	0	114.8
29	L	27.8	Very low	32.5	Very low	173 Å²	173	122.4 Å²	122.4	91%	0.906	78%	0.783	S	S	*	*				176.8	147.5	126.2	-90.1	159.9	0	0	0	113.5
30	S	29.8	Very low	32.3	Very low	112 Å²	112	121.1 Å²	121.1	78%	0.783	78%	0.775	S	S	*	*			trans	-76.4	162.2	-169.1	-57.3	0	0	0	0	117.1
31	S	31.1	Very low	32.2	Very low	104 Å²	104	125 Å²	125	73%	0.727	78%	0.776	S	S	*	*				-179.2	118.6	120.4	57.1	0	0	0	0	109.9
32	S	32.8	Very low	32.1	Very low	105 Å²	105	121.4 Å²	121.4	73%	0.734	77%	0.765	S	S	*	*				72.4	137.1	98.3	-55.3	0	0	0	0	112.2
33	V	31.6	Very low	31.5	Very low	122 Å²	122	123.8 Å²	123.8	74%	0.739	77%	0.766	S	S	*	*			cis	-177.2	138.9	9.9	-104.7	0	0	0	0	106.6
34	R	32.6	Very low	31.6	Very low	231 Å²	231	125.4 Å²	125.4	87%	0.872	76%	0.76	S	S	*	*			trans	47.6	141.3	130.3	-97.7	172.3	174.9	-121.1	1	119.5
35	S	31.3	Very low	31.6	Very low	90 Å²	90	128.2 Å²	128.2	63%	0.629	76%	0.762	S	S	*	*			cis	-175.6	160.9	34.5	-19.5	0	0	0	0	111.8
36	S	28	Very low	31.7	Very low	112 Å²	112	129.8 Å²	129.8	78%	0.783	76%	0.756	S	S	*	*			trans	67	140.9	143.7	57.5	0	0	0	0	119.5
37	S	30.1	Very low	31.1	Very low	112 Å²	112	135.7 Å²	135.7	78%	0.783	76%	0.762	S	S	*	*			cis	-165.8	150.7	18	33.2	0	0	0	0	111.4
38	T	26.5	Very low	30.9	Very low	131 Å²	131	139.8 Å²	139.8	80%	0.804	77%	0.765	S	S	*	*			trans	-70.1	-169.1	169	46.6	0	0	0	0	113.7
39	P	41	Very low	30	Very low	104 Å²	104	139.5 Å²	139.5	68%	0.675	77%	0.772	S	S	*	*			cis	-140.2	-176.3	-41.6	30.8	-8.5	0	0	0	115.6
40	T	24.8	Very low	30.2	Very low	107 Å²	107	134.6 Å²	134.6	66%	0.656	76%	0.763	S	S	*	*			trans	86.4	126.6	140.1	12.6	0	0	0	0	124.2
41	Q	27.4	Very low	30.7	Very low	178 Å²	178	135.5 Å²	135.5	83%	0.832	77%	0.767	S	S	*	*			trans	59.4	148.6	136.1	-78	169.4	35.9	0	0	119.1
42	S	27.5	Very low	31.2	Very low	89 Å²	89	137.2 Å²	137.2	62%	0.622	77%	0.767	S	S	*	*			cis	-176.1	159.7	3.8	31.1	0	0	0	0	108.5
43	E	29.3	Very low	31.4	Very low	168 Å²	168	137.3 Å²	137.3	79%	0.785	77%	0.766	S	S	*	*			trans	57.1	116.4	153.3	-71	-176.7	117.3	0	0	121
44	Q	28.8	Very low	32	Very low	152 Å²	152	135.5 Å²	135.5	71%	0.71	76%	0.759	S	S	*	*				101.3	117.4	76.6	-174.1	168.4	-40.4	0	0	111.7
45	L	29.5	Very low	32.3	Very low	148 Å²	148	132.9 Å²	132.9	78%	0.775	76%	0.761	S	S	*	*			trans	170.8	93.4	139.4	-90.3	158.6	0	0	0	112.2
46	Q	30.6	Very low	32.7	Very low	153 Å²	153	137.5 Å²	137.5	72%	0.715	77%	0.77	S	S	*	*				50.5	109.8	116.3	-145.3	155.8	23.2	0	0	119.4
47	R	33.3	Very low	33.5	Very low	249 Å²	249	137.7 Å²	137.7	94%	0.94	77%	0.771	S	S	*	*			trans	-151.3	134.2	131.6	-83.4	-133.7	-126.6	-84	3	112
48	Q	30.5	Very low	34	Very low	182 Å²	182	136.5 Å²	136.5	85%	0.85	77%	0.768	S	S	*	*			trans	-79.6	145.1	-174.7	-78.2	167.4	-36.8	0	0	114
49	A	26.8	Very low	35	Very low	107 Å²	107	134.8 Å²	134.8	88%	0.884	76%	0.761	S	S	*	*			trans	16.8	129	142.2	0	0	0	0	0	122.3
50	G	30.7	Very low	35.4	Very low	71 Å²	71	134.3 Å²	134.3	73%	0.732	77%	0.766	S	S	*	*			trans	-147.3	157.9	149.9	0	0	0	0	0	109.4
51	P	40.1	Very low	36.4	Very low	131 Å²	131	139.5 Å²	139.5	85%	0.851	77%	0.774	S	S	*	*			trans	-88	153.8	-134.7	33.2	-35.7	0	0	0	117
52	N	41.4	Very low	37.4	Very low	139 Å²	139	134.2 Å²	134.2	74%	0.743	76%	0.757	S	S	*	*			trans	-52.8	149.7	174.1	-151.7	-1.3	0	0	0	112.8	S54	N52-S54 PolarHBondContact OD1-N 2.71Å
53	P	38.1	Very low	38.4	Very low	107 Å²	107	135.6 Å²	135.6	70%	0.695	76%	0.761	S	S	*	*				-143.6	111	104.1	32.1	-14.5	0	0	0	113.4	L55	P53-L55 PolarHBondContact O-N 3.03Å
54	S	43.5	Very low	39.2	Very low	85 Å²	85	135.7 Å²	135.7	59%	0.594	76%	0.755	S	S	*	*			trans	24.9	75.8	132.9	44.9	0	0	0	0	115.2	N52 K56	N52-S54 PolarHBondContact OD1-N 2.71Å; S54-K56 PolarHBondContact O-N 2.92Å
55	L	39.7	Very low	40.7	Very low	176 Å²	176	136.4 Å²	136.4	92%	0.921	76%	0.763	S	S	*	*			trans	-69.7	90.7	156.2	-77	167.2	0	0	0	107.3	P53 S57	P53-L55 PolarHBondContact O-N 3.03Å; L55-S57 PolarHBondContact O-N 2.96Å
56	K	39.2	Very low	42.6	Very low	186 Å²	186	132.7 Å²	132.7	81%	0.809	75%	0.747	S	S	*	*			trans	-33.7	113.8	163.6	-67.3	170.8	179.3	174.1	0	107.8	S54 A58	S54-K56 PolarHBondContact O-N 2.92Å; K56-A58 PolarHBondContact O-N 3.32Å
57	S	44.4	Very low	44.8	Very low	116 Å²	116	128.6 Å²	128.6	81%	0.811	73%	0.728	S	S	*	*			trans	-55.2	89.4	155	177.3	0	0	0	0	105.8	L55 S59	L55-S57 PolarHBondContact O-N 2.96Å; S57-S59 PolarHBondContact O-N 3.47Å
58	A	41.8	Very low	46.9	Very low	88 Å²	88	117.5 Å²	117.5	73%	0.727	69%	0.686	S	S	*	*			trans	-64.8	94.1	162.5	0	0	0	0	0	103	K56 A60	K56-A58 PolarHBondContact O-N 3.32Å; A58-A60 VanDerWaalsContact C-N 3.33Å; A58-A60 PolarHBondContact O-N 3.28Å
59	S	47.4	Very low	49	Very low	94 Å²	94	110.3 Å²	110.3	66%	0.657	66%	0.655	S	S	*	*			trans	-35.3	106.2	166	173.7	0	0	0	0	106.3	S57 R61	S57-S59 PolarHBondContact O-N 3.47Å; S59-R61 PolarHBondContact O-N 2.93Å
60	A	48.2	Very low	51.4	Low	95 Å²	95	110.4 Å²	110.4	79%	0.785	65%	0.645	S	S	*	*			trans	-60.6	91.4	169.4	0	0	0	0	0	103.4	A58 S62	A58-A60 VanDerWaalsContact C-N 3.33Å; A58-A60 PolarHBondContact O-N 3.28Å; A60-S62 VanDerWaalsContact C-N 3.29Å; A60-S62 PolarHBondContact O-N 2.97Å
61	R	46.1	Very low	53.8	Low	215 Å²	215	108.4 Å²	108.4	81%	0.811	62%	0.616	S	S	*	*			trans	-51.5	110.3	166.5	-78.1	179.7	173.9	162.5	-1.1	102.4	S59 V63	S59-R61 PolarHBondContact O-N 2.93Å; R61-V63 WeakPolarHBondContact O-CG2 3.45Å; R61-V63 PolarHBondContact O-N 3.39Å
62	S	48.5	Very low	55.6	Low	67 Å²	67	108.5 Å²	108.5	47%	0.469	61%	0.614	S	S	.	*			trans	-53	98.4	169.3	177.4	0	0	0	0	105.3	A60 Y64	A60-S62 VanDerWaalsContact C-N 3.29Å; A60-S62 PolarHBondContact O-N 2.97Å; S62-Y64 WeakPolarHBondContact O-CD2 3.48Å; S62-Y64 PolarHBondContact O-N 3.45Å
63	V	47.7	Very low	57.8	Low	118 Å²	118	104 Å²	104	72%	0.715	59%	0.594	S	S	*	*			trans	-76.2	83.9	169.3	-172.3	0	0	0	0	101.4	R61 L65	R61-V63 WeakPolarHBondContact O-CG2 3.45Å; R61-V63 PolarHBondContact O-N 3.39Å; V63-L65 PolarHBondContact O-N 3.27Å
64	Y	48	Very low	60.3	Low	170 Å²	170	105.6 Å²	105.6	67%	0.667	59%	0.59	S	S	*	*			trans	-51.1	103.1	165.7	-63.8	-80.7	0	0	0	105.4	S62 T66	S62-Y64 WeakPolarHBondContact O-CD2 3.48Å; S62-Y64 PolarHBondContact O-N 3.45Å; Y64-T66 PolarHBondContact O-N 3.03Å
65	L	59.7	Low	62.6	Low	168 Å²	168	106.8 Å²	106.8	88%	0.88	59%	0.586	S	S	*	*			trans	-74.9	82.3	-179.2	-177.8	65.7	0	0	0	105.9	V63	V63-L65 PolarHBondContact O-N 3.27Å
66	T	68.6	Low	65.1	Low	69 Å²	69	99 Å²	99	42%	0.423	55%	0.545	S	S	.	.			trans	-69.8	135	170.1	172.8	0	0	0	0	108.5	Y64 F68	Y64-T66 PolarHBondContact O-N 3.03Å; T66-F68 PolarHBondContact O-N 2.83Å; T66-F68 VanDerWaalsContact OG1-CB 3.29Å; T66-F68 WeakPolarHBondContact OG1-CB 3.45Å; T66-F68 WeakPolarHBondContact OG1-CD2 3.38Å; T66-F68 PolarHBondContact OG1-N 3.29Å; T66-F68 VanDerWaalsContact OG1-N 3.07Å
67	H	76.9	Confident	67.7	Low	68 Å²	68	90.4 Å²	90.4	32%	0.315	51%	0.509	S	S	.	.	S	Bend	trans	-78.8	-5.2	171.3	64.8	-79.9	0	0	0	111.9	S119 Q121 K122 D123	H67-S119 PolarHBondContact CD2-O 3.16Å; H67-S119 PolarHBondContact NE2-O 3.5Å; H67-Q121 PolarHBondContact CD2-O 2.79Å; H67-K122 WeakPolarHBondContact O-CA 3.46Å; H67-D123 PolarHBondContact O-N 3.32Å
68	F	76.9	Confident	70	Confident	16 Å²	16	89.1 Å²	89.1	7%	0.07	49%	0.492	C	S	.	.	S	Bend	trans	-71.1	143.9	175.6	-62.7	-56.5	0	0	0	111.1	M7 T66 F125	M7-F68 HydrophobicContact CB-CD2 4.03Å; M7-F68 HydrophobicContact CB-CE2 4.21Å; T66-F68 PolarHBondContact O-N 2.83Å; T66-F68 VanDerWaalsContact OG1-CB 3.29Å; T66-F68 WeakPolarHBondContact OG1-CB 3.45Å; T66-F68 WeakPolarHBondContact OG1-CD2 3.38Å; T66-F68 PolarHBondContact OG1-N 3.29Å; T66-F68 VanDerWaalsContact OG1-N 3.07Å; F68-F125 HydrophobicContact CB-CD1 4.13Å; F68-F125 HydrophobicContact CB-CE1 3.84Å; F68-F125 AromaticContact CD1-CD1 3.59Å; F68-F125 HydrophobicContact CD1-CD1 3.59Å; F68-F125 HydrophobicContact CD1-CE1 4.19Å; F68-F125 HydrophobicContact CD1-CG 4.35Å; F68-F125 HydrophobicContact CE1-CD1 4.25Å; F68-F125 HydrophobicContact CG-CD1 4.02Å; F68-F125 HydrophobicContact CG-CE1 4.21Å
69	P	74.4	Confident	72.5	Confident	30 Å²	30	86.7 Å²	86.7	20%	0.195	47%	0.467	C	S	.	.	P	Polyproline II helix	trans	-66.7	146.1	-178.4	25.4	-27.8	0	0	0	110.5	F71 D123 F125	P69-F71 PolarHBondContact O-N 2.6Å; P69-D123 HydrophobicContact CB-CB 4.06Å; P69-D123 HydrophobicContact CG-CB 4.48Å; P69-F125 VanDerWaalsContact CD-CZ 3.5Å; P69-F125 HydrophobicContact CG-CD2 4.08Å; P69-F125 HydrophobicContact CG-CE1 4.08Å; P69-F125 HydrophobicContact CG-CE2 3.35Å; P69-F125 HydrophobicContact CG-CZ 3.36Å
70	T	78.1	Confident	74.8	Confident	110 Å²	110	82.2 Å²	82.2	68%	0.675	44%	0.435	S	S	*	.	P	Polyproline II helix	trans	-71.7	129.7	171.8	-56	0	0	0	0	108.9	T72	T70-T72 PolarHBondContact O-N 2.64Å
71	F	81.5	Confident	77	Confident	29 Å²	29	81 Å²	81	13%	0.127	42%	0.419	C	S	.	.	P	Polyproline II helix	trans	-63	128	179.2	-65.4	-71	0	0	0	111.4	C5 P69 D76 C77 I80 F125	C5-F71 HydrophobicContact CB-CD2 3.85Å; C5-F71 HydrophobicContact CB-CE2 3.87Å; C5-F71 WeakPolarHBondContact O-CE2 3.37Å; P69-F71 PolarHBondContact O-N 2.6Å; F71-D76 HydrophobicContact CD1-CB 3.97Å; F71-C77 HydrophobicContact CB-CB 4.21Å; F71-C77 HydrophobicContact CD1-CB 4.1Å; F71-C77 HydrophobicContact CD2-CB 3.88Å; F71-C77 HydrophobicContact CE1-CB 4.46Å; F71-C77 HydrophobicContact CE2-CB 4.26Å; F71-C77 HydrophobicContact CG-CB 3.78Å; F71-I80 HydrophobicContact CE1-CB 3.61Å; F71-I80 HydrophobicContact CE1-CG1 3.78Å; F71-I80 HydrophobicContact CE1-CG2 3.79Å; F71-I80 HydrophobicContact CZ-CB 3.91Å; F71-I80 HydrophobicContact CZ-CG2 3.66Å; F71-F125 HydrophobicContact CD1-CZ 4.37Å; F71-F125 HydrophobicContact CE1-CE1 4.2Å; F71-F125 HydrophobicContact CE1-CE2 4.25Å; F71-F125 AromaticContact CE1-CZ 3.53Å; F71-F125 HydrophobicContact CE1-CZ 3.53Å; F71-F125 AromaticContact CZ-CE1 3.89Å; F71-F125 HydrophobicContact CZ-CE1 3.89Å; F71-F125 AromaticContact CZ-CZ 3.69Å; F71-F125 HydrophobicContact CZ-CZ 3.69Å
72	T	76.7	Confident	79.3	Confident	132 Å²	132	74.2 Å²	74.2	81%	0.81	40%	0.399	S	S	*	.	S	Bend	trans	-78.8	-21.7	176.5	39.8	0	0	0	0	112.9	T70 D76	T70-T72 PolarHBondContact O-N 2.64Å; T72-D76 PolarHBondContact OG1-OD2 3.45Å
73	S	88.7	Confident	81.5	Confident	44 Å²	44	71.2 Å²	71.2	31%	0.308	38%	0.377	S	S	.	.	S	Bend	trans	-146.4	158.5	178.7	74.9	0	0	0	0	111.7	E75 D76 C77	S73-E75 PolarHBondContact O-N 3.05Å; S73-D76 PolarHBondContact N-OD2 3.23Å; S73-D76 PolarHBondContact O-N 3.05Å; S73-D76 PolarHBondContact OG-N 2.71Å; S73-D76 PolarHBondContact OG-OD2 3.44Å; S73-C77 PolarHBondContact O-N 3.39Å
74	K	90.3	Very high	83.8	Confident	142 Å²	142	66.5 Å²	66.5	62%	0.617	35%	0.35	S	S	*	.	H	α-helix	trans	-61.5	-34.8	172.5	-175.4	178.9	179.4	-176.5	0	111.4	L3 C77 N78	L3-K74 HydrophobicContact CD1-CD 4.39Å; K74-C77 WeakPolarHBondContact O-CB 3.47Å; K74-C77 PolarHBondContact O-N 2.9Å; K74-N78 PolarHBondContact O-N 2.77Å; K74-N78 PolarHBondContact O-OD1 2.69Å
75	E	92.8	Very high	86	Confident	109 Å²	109	60.9 Å²	60.9	51%	0.509	34%	0.339	S	S	.	.	H	α-helix	trans	-65	-42.9	178.4	-172.4	158	-145.7	0	0	111.7	S73 C77 N78 I79 Q146	S73-E75 PolarHBondContact O-N 3.05Å; E75-C77 VanDerWaalsContact C-N 3.33Å; E75-C77 PolarHBondContact O-N 3.07Å; E75-N78 PolarHBondContact O-N 2.93Å; E75-N78 VanDerWaalsContact O-N 3.14Å; E75-I79 HydrophobicContact CG-CD1 4.05Å; E75-I79 WeakPolarHBondContact O-CG1 3.42Å; E75-I79 PolarHBondContact O-N 2.83Å; E75-Q146 VanDerWaalsContact CD-NE2 3.29Å; E75-Q146 PolarHBondContact OE2-NE2 3.45Å
76	D	92.5	Very high	87.7	Confident	14 Å²	14	54.4 Å²	54.4	8%	0.075	30%	0.304	C	S	.	.	H	α-helix	trans	-61.1	-42.4	174.2	-64.6	-48	0	0	0	112	F71 T72 S73 N78 I79 I80 Y143 Q146	F71-D76 HydrophobicContact CD1-CB 3.97Å; T72-D76 PolarHBondContact OG1-OD2 3.45Å; S73-D76 PolarHBondContact N-OD2 3.23Å; S73-D76 PolarHBondContact O-N 3.05Å; S73-D76 PolarHBondContact OG-N 2.71Å; S73-D76 PolarHBondContact OG-OD2 3.44Å; D76-N78 VanDerWaalsContact C-N 3.33Å; D76-N78 PolarHBondContact O-N 2.69Å; D76-I79 PolarHBondContact O-N 2.69Å; D76-I80 WeakPolarHBondContact O-CB 3.49Å; D76-I80 WeakPolarHBondContact O-CG1 3.45Å; D76-I80 PolarHBondContact O-N 3.35Å; D76-Y143 WeakPolarHBondContact CA-OH 3.26Å; D76-Y143 HydrophobicContact CB-CE1 4.01Å; D76-Y143 WeakPolarHBondContact OD1-CE1 3.3Å; D76-Y143 PolarHBondContact OD1-OH 3.3Å; D76-Q146 WeakPolarHBondContact OD1-CG 3.18Å
77	C	92.1	Very high	89	Confident	5 Å²	5	51.1 Å²	51.1	3%	0.034	28%	0.284	C	S	.	.	H	α-helix	trans	-57.5	-48.2	173.3	159.2	0	0	0	0	111.1	C5 F71 S73 K74 E75 I80 T81	C5-C77 HydrophobicContact CB-CB 3.75Å; C5-C77 WeakPolarHBondContact CB-SG 3.35Å; C5-C77 WeakPolarHBondContact SG-CB 3.45Å; C5-C77 CovalentContact SG-SG 2.02Å; C5-C77 PolarHBondContact SG-SG 2.82Å; F71-C77 HydrophobicContact CB-CB 4.21Å; F71-C77 HydrophobicContact CD1-CB 4.1Å; F71-C77 HydrophobicContact CD2-CB 3.88Å; F71-C77 HydrophobicContact CE1-CB 4.46Å; F71-C77 HydrophobicContact CE2-CB 4.26Å; F71-C77 HydrophobicContact CG-CB 3.78Å; S73-C77 PolarHBondContact O-N 3.39Å; K74-C77 WeakPolarHBondContact O-CB 3.47Å; K74-C77 PolarHBondContact O-N 2.9Å; E75-C77 VanDerWaalsContact C-N 3.33Å; E75-C77 PolarHBondContact O-N 3.07Å; C77-I80 PolarHBondContact O-N 2.77Å; C77-T81 VanDerWaalsContact O-CB 3.25Å; C77-T81 WeakPolarHBondContact O-CB 3.48Å; C77-T81 PolarHBondContact O-N 3.03Å; C77-T81 PolarHBondContact O-OG1 3.49Å
78	N	93.4	Very high	89.8	Confident	88 Å²	88	52.7 Å²	52.7	47%	0.471	29%	0.291	S	S	.	.	H	α-helix	trans	-61.9	-46.8	-178	-69.2	-12.5	0	0	0	111.3	K74 E75 D76 I80 T81 D82	K74-N78 PolarHBondContact O-N 2.77Å; K74-N78 PolarHBondContact O-OD1 2.69Å; E75-N78 PolarHBondContact O-N 2.93Å; E75-N78 VanDerWaalsContact O-N 3.14Å; D76-N78 VanDerWaalsContact C-N 3.33Å; D76-N78 PolarHBondContact O-N 2.69Å; N78-I80 PolarHBondContact O-N 3.02Å; N78-T81 PolarHBondContact O-N 3.4Å; N78-D82 VanDerWaalsContact O-CB 3.26Å; N78-D82 WeakPolarHBondContact O-CB 3.42Å; N78-D82 PolarHBondContact O-N 3.25Å
79	I	94.8	Very high	90.4	Very high	37 Å²	37	59 Å²	59	19%	0.19	32%	0.315	C	S	.	.	H	α-helix	trans	-60	-47.3	-179.9	-69.9	165.3	0	0	0	110.9	E75 D76 T83 Y143 Q146 F148	E75-I79 HydrophobicContact CG-CD1 4.05Å; E75-I79 WeakPolarHBondContact O-CG1 3.42Å; E75-I79 PolarHBondContact O-N 2.83Å; D76-I79 PolarHBondContact O-N 2.69Å; I79-T83 VanDerWaalsContact O-CB 3.28Å; I79-T83 WeakPolarHBondContact O-CB 3.39Å; I79-T83 PolarHBondContact O-N 3.14Å; I79-T83 PolarHBondContact O-OG1 2.87Å; I79-Y143 HydrophobicContact CG2-CE2 3.81Å; I79-Q146 HydrophobicContact CD1-CB 3.74Å; I79-Q146 HydrophobicContact CD1-CG 3.77Å; I79-F148 HydrophobicContact CG2-CE2 3.85Å; I79-F148 HydrophobicContact CG2-CZ 3.98Å
80	I	94.8	Very high	91.2	Very high	0 Å²	0	58 Å²	58	0%	0	31%	0.309	C	S	.	.	H	α-helix	trans	-70.1	-37.7	-177.6	-71	-58.4	0	0	0	111.4	M7 F71 D76 C77 N78 T83 A84 F125 Y143 F148	M7-I80 HydrophobicContact CE-CG2 3.06Å; F71-I80 HydrophobicContact CE1-CB 3.61Å; F71-I80 HydrophobicContact CE1-CG1 3.78Å; F71-I80 HydrophobicContact CE1-CG2 3.79Å; F71-I80 HydrophobicContact CZ-CB 3.91Å; F71-I80 HydrophobicContact CZ-CG2 3.66Å; D76-I80 WeakPolarHBondContact O-CB 3.49Å; D76-I80 WeakPolarHBondContact O-CG1 3.45Å; D76-I80 PolarHBondContact O-N 3.35Å; C77-I80 PolarHBondContact O-N 2.77Å; N78-I80 PolarHBondContact O-N 3.02Å; I80-T83 PolarHBondContact O-N 2.92Å; I80-A84 WeakPolarHBondContact O-CB 3.41Å; I80-A84 PolarHBondContact O-N 2.82Å; I80-F125 HydrophobicContact CD1-CD2 3.95Å; I80-F125 HydrophobicContact CD1-CE2 4.12Å; I80-F125 HydrophobicContact CG1-CD2 4.29Å; I80-F125 HydrophobicContact CG1-CE2 3.99Å; I80-F125 HydrophobicContact CG1-CZ 4.37Å; I80-F125 HydrophobicContact CG2-CD1 4.01Å; I80-F125 HydrophobicContact CG2-CD2 4.33Å; I80-F125 HydrophobicContact CG2-CE1 3.9Å; I80-F125 HydrophobicContact CG2-CE2 4.24Å; I80-F125 HydrophobicContact CG2-CG 4.21Å; I80-F125 HydrophobicContact CG2-CZ 4.01Å; I80-Y143 HydrophobicContact CD1-CD1 4.05Å; I80-Y143 HydrophobicContact CD1-CD2 3.66Å; I80-Y143 HydrophobicContact CD1-CE1 4.31Å; I80-Y143 HydrophobicContact CD1-CE2 3.92Å; I80-Y143 HydrophobicContact CD1-CG 3.72Å; I80-Y143 HydrophobicContact CG1-CD1 4.23Å; I80-Y143 HydrophobicContact CG1-CD2 4.44Å; I80-Y143 HydrophobicContact CG1-CE1 4.11Å; I80-Y143 HydrophobicContact CG1-CE2 4.31Å; I80-Y143 HydrophobicContact CG1-CG 4.38Å; I80-F148 HydrophobicContact CD1-CE1 3.72Å; I80-F148 HydrophobicContact CD1-CZ 3.74Å
81	T	93.8	Very high	91.9	Very high	71 Å²	71	52.8 Å²	52.8	44%	0.436	28%	0.277	S	S	.	.	H	α-helix	trans	-67.2	-45.1	176.6	-55.6	0	0	0	0	111.6	C77 N78 T83 A84 A85	C77-T81 VanDerWaalsContact O-CB 3.25Å; C77-T81 WeakPolarHBondContact O-CB 3.48Å; C77-T81 PolarHBondContact O-N 3.03Å; C77-T81 PolarHBondContact O-OG1 3.49Å; N78-T81 PolarHBondContact O-N 3.4Å; T81-T83 VanDerWaalsContact C-N 3.33Å; T81-T83 PolarHBondContact O-N 3.03Å; T81-A84 PolarHBondContact O-N 2.91Å; T81-A85 PolarHBondContact O-N 3.04Å
82	D	94.6	Very high	92.6	Very high	72 Å²	72	51.5 Å²	51.5	39%	0.385	27%	0.271	S	S	.	.	H	α-helix	trans	-61.1	-42.9	174.1	172.8	73.8	0	0	0	111.5	N78 A84 A85 K86	N78-D82 VanDerWaalsContact O-CB 3.26Å; N78-D82 WeakPolarHBondContact O-CB 3.42Å; N78-D82 PolarHBondContact O-N 3.25Å; D82-A84 PolarHBondContact O-N 3.31Å; D82-A85 PolarHBondContact O-N 3.5Å; D82-K86 WeakPolarHBondContact O-CG 3.49Å; D82-K86 PolarHBondContact O-N 3.01Å; D82-K86 VanDerWaalsContact OD1-CE 3.24Å; D82-K86 WeakPolarHBondContact OD1-CE 3.44Å; D82-K86 IonicContact OD1-NZ 2.7Å; D82-K86 PolarHBondContact OD1-NZ 2.85Å; D82-K86 WeakPolarHBondContact OD2-CE 3.37Å; D82-K86 IonicContact OD2-NZ 3.8Å; D82-K86 PolarHBondContact OD2-NZ 3.5Å
83	T	96.3	Very high	93.6	Very high	4 Å²	4	45.8 Å²	45.8	3%	0.025	23%	0.234	C	C	.	.	H	α-helix	trans	-60	-45.6	175.7	-61.5	0	0	0	0	111.3	I79 I80 T81 K86 L87 F126 F148 L160	I79-T83 VanDerWaalsContact O-CB 3.28Å; I79-T83 WeakPolarHBondContact O-CB 3.39Å; I79-T83 PolarHBondContact O-N 3.14Å; I79-T83 PolarHBondContact O-OG1 2.87Å; I80-T83 PolarHBondContact O-N 2.92Å; T81-T83 VanDerWaalsContact C-N 3.33Å; T81-T83 PolarHBondContact O-N 3.03Å; T83-K86 PolarHBondContact O-N 2.92Å; T83-L87 HydrophobicContact CG2-CD1 4.16Å; T83-L87 WeakPolarHBondContact O-CB 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.29Å; T83-L87 PolarHBondContact O-N 2.8Å; T83-F126 HydrophobicContact CG2-CE2 3.98Å; T83-F126 HydrophobicContact CG2-CZ 4.46Å; T83-F148 HydrophobicContact CG2-CE1 4.31Å; T83-F148 HydrophobicContact CG2-CZ 4.1Å; T83-F148 WeakPolarHBondContact OG1-CZ 3.28Å; T83-L160 HydrophobicContact CG2-CB 3.74Å; T83-L160 HydrophobicContact CG2-CD1 3.99Å; T83-L160 HydrophobicContact CG2-CG 4.42Å
84	A	95.2	Very high	94	Very high	18 Å²	18	46.4 Å²	46.4	15%	0.149	23%	0.23	C	C	.	.	H	α-helix	trans	-62.2	-45.9	176.8	0	0	0	0	0	111.7	M7 I80 T81 D82 K86 L87 E88 F126	M7-A84 HydrophobicContact CE-CB 4.15Å; I80-A84 WeakPolarHBondContact O-CB 3.41Å; I80-A84 PolarHBondContact O-N 2.82Å; T81-A84 PolarHBondContact O-N 2.91Å; D82-A84 PolarHBondContact O-N 3.31Å; A84-K86 VanDerWaalsContact C-N 3.34Å; A84-K86 PolarHBondContact O-N 2.92Å; A84-L87 WeakPolarHBondContact O-CB 3.36Å; A84-L87 PolarHBondContact O-N 2.93Å; A84-L87 VanDerWaalsContact O-N 3.11Å; A84-E88 WeakPolarHBondContact O-CG 3.24Å; A84-E88 PolarHBondContact O-N 2.98Å; A84-F126 HydrophobicContact CB-CZ 4.27Å
85	A	94.1	Very high	94.2	Very high	52 Å²	52	39.9 Å²	39.9	43%	0.43	20%	0.203	S	C	.	.	H	α-helix	trans	-60	-42.8	178	0	0	0	0	0	112.5	T81 D82 L87 E88 R89	T81-A85 PolarHBondContact O-N 3.04Å; D82-A85 PolarHBondContact O-N 3.5Å; A85-L87 VanDerWaalsContact C-N 3.35Å; A85-E88 PolarHBondContact O-N 2.79Å; A85-R89 WeakPolarHBondContact O-CG 3.48Å; A85-R89 PolarHBondContact O-N 2.93Å
86	K	94.9	Very high	94.3	Very high	33 Å²	33	38.9 Å²	38.9	14%	0.143	21%	0.206	C	C	.	.	H	α-helix	trans	-67.8	-34.9	175	-73.9	170.5	179	156.3	0	112.4	D82 T83 A84 R89 S90 F161 D217 F218	D82-K86 WeakPolarHBondContact O-CG 3.49Å; D82-K86 PolarHBondContact O-N 3.01Å; D82-K86 VanDerWaalsContact OD1-CE 3.24Å; D82-K86 WeakPolarHBondContact OD1-CE 3.44Å; D82-K86 IonicContact OD1-NZ 2.7Å; D82-K86 PolarHBondContact OD1-NZ 2.85Å; D82-K86 WeakPolarHBondContact OD2-CE 3.37Å; D82-K86 IonicContact OD2-NZ 3.8Å; D82-K86 PolarHBondContact OD2-NZ 3.5Å; T83-K86 PolarHBondContact O-N 2.92Å; A84-K86 VanDerWaalsContact C-N 3.34Å; A84-K86 PolarHBondContact O-N 2.92Å; K86-R89 PolarHBondContact O-N 2.73Å; K86-S90 PolarHBondContact O-N 3.49Å; K86-F161 HydrophobicContact CB-CE2 3.43Å; K86-F161 VanDerWaalsContact CB-CE2 3.43Å; K86-F161 HydrophobicContact CB-CZ 3.45Å; K86-F161 VanDerWaalsContact CB-CZ 3.45Å; K86-F161 HydrophobicContact CD-CE2 4.1Å; K86-F161 HydrophobicContact CG-CE2 4.39Å; K86-D217 VanDerWaalsContact CE-O 3.26Å; K86-D217 WeakPolarHBondContact CE-O 3.31Å; K86-F218 HydrophobicContact CB-CD2 4.2Å; K86-F218 HydrophobicContact CB-CE2 4.21Å; K86-F218 HydrophobicContact CG-CD2 4.34Å
87	L	95.9	Very high	94.4	Very high	0 Å²	0	39.3 Å²	39.3	0%	0	21%	0.208	C	C	.	.	H	α-helix	trans	-64.4	-44.5	176.4	-86.1	173.8	0	0	0	110.8	T83 A84 A85 R89 S90 F92 Y93 I116 F126 L160 F161	T83-L87 HydrophobicContact CG2-CD1 4.16Å; T83-L87 WeakPolarHBondContact O-CB 3.3Å; T83-L87 WeakPolarHBondContact O-CG 3.29Å; T83-L87 PolarHBondContact O-N 2.8Å; A84-L87 WeakPolarHBondContact O-CB 3.36Å; A84-L87 PolarHBondContact O-N 2.93Å; A84-L87 VanDerWaalsContact O-N 3.11Å; A85-L87 VanDerWaalsContact C-N 3.35Å; L87-R89 PolarHBondContact O-N 3Å; L87-S90 VanDerWaalsContact O-CB 3.32Å; L87-S90 WeakPolarHBondContact O-CB 3.3Å; L87-S90 PolarHBondContact O-N 2.8Å; L87-S90 PolarHBondContact O-OG 3.34Å; L87-F92 HydrophobicContact CD2-CE2 4Å; L87-Y93 HydrophobicContact CB-CD1 4.27Å; L87-Y93 HydrophobicContact CB-CD2 4.05Å; L87-Y93 HydrophobicContact CB-CG 3.82Å; L87-Y93 HydrophobicContact CD1-CD2 4.04Å; L87-Y93 HydrophobicContact CD1-CE2 4.2Å; L87-Y93 HydrophobicContact CD2-CD2 4.37Å; L87-Y93 HydrophobicContact CG-CD2 4.4Å; L87-Y93 WeakPolarHBondContact O-CB 3.37Å; L87-I116 HydrophobicContact CD1-CG2 4.02Å; L87-I116 HydrophobicContact CD2-CB 4.03Å; L87-I116 HydrophobicContact CD2-CG1 3.97Å; L87-I116 HydrophobicContact CD2-CG2 4.02Å; L87-F126 HydrophobicContact CD1-CD1 3.91Å; L87-F126 HydrophobicContact CD1-CD2 4.48Å; L87-F126 HydrophobicContact CD1-CE1 3.7Å; L87-F126 HydrophobicContact CD1-CE2 4.3Å; L87-F126 HydrophobicContact CD1-CG 4.3Å; L87-F126 HydrophobicContact CD1-CZ 3.9Å; L87-L160 HydrophobicContact CD1-CD1 4.06Å; L87-L160 HydrophobicContact CD2-CD2 3.95Å; L87-F161 HydrophobicContact CD2-CE1 4.08Å; L87-F161 HydrophobicContact CD2-CZ 4.04Å; L87-F161 HydrophobicContact CG-CE1 4.47Å; L87-F161 HydrophobicContact CG-CZ 3.93Å
88	E	93.4	Very high	94.6	Very high	101 Å²	101	40.1 Å²	40.1	47%	0.472	22%	0.217	S	C	.	.	H	α-helix	trans	-57.1	-39.4	175.9	-70.4	-66.5	179.1	0	0	112.1	A84 A85 S90 Y93 W182	A84-E88 WeakPolarHBondContact O-CG 3.24Å; A84-E88 PolarHBondContact O-N 2.98Å; A85-E88 PolarHBondContact O-N 2.79Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 2.77Å; E88-Y93 HydrophobicContact CG-CD1 4.24Å; E88-Y93 HydrophobicContact CG-CE1 4.34Å; E88-Y93 WeakPolarHBondContact OE1-CE1 3.46Å; E88-W182 WeakPolarHBondContact O-CH2 3.47Å; E88-W182 WeakPolarHBondContact O-CZ2 3.47Å
89	R	89.8	Confident	94.7	Very high	148 Å²	148	37.8 Å²	37.8	56%	0.558	21%	0.206	S	C	*	.	H	α-helix	trans	-76	-12.3	177.9	-61.8	175.1	76.9	82.4	1.3	113.9	A85 K86 L87 D217	A85-R89 WeakPolarHBondContact O-CG 3.48Å; A85-R89 PolarHBondContact O-N 2.93Å; K86-R89 PolarHBondContact O-N 2.73Å; L87-R89 PolarHBondContact O-N 3Å; R89-D217 IonicContact NE-OD2 2.99Å
90	S	91.6	Very high	94.8	Very high	10 Å²	10	41.9 Å²	41.9	7%	0.07	22%	0.224	C	C	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-17.2	-170.3	76.8	0	0	0	0	114.9	K86 L87 E88 F92 R180	K86-S90 PolarHBondContact O-N 3.49Å; L87-S90 VanDerWaalsContact O-CB 3.32Å; L87-S90 WeakPolarHBondContact O-CB 3.3Å; L87-S90 PolarHBondContact O-N 2.8Å; L87-S90 PolarHBondContact O-OG 3.34Å; E88-S90 VanDerWaalsContact C-N 3.28Å; E88-S90 PolarHBondContact O-N 2.77Å; S90-F92 VanDerWaalsContact CB-CE1 3.41Å; S90-F92 VanDerWaalsContact O-CD1 3.28Å; S90-F92 WeakPolarHBondContact O-CD1 3.38Å; S90-F92 PolarHBondContact O-N 3.35Å; S90-F92 VanDerWaalsContact O-N 3.13Å; S90-F92 PolarHBondContact OG-N 3.37Å; S90-R180 PolarHBondContact O-NE 3.49Å
91	G	93.4	Very high	94.9	Very high	0 Å²	0	44.8 Å²	44.8	0%	0	24%	0.238	C	C	.	.	S	Bend	trans	77.2	-21.3	-176.7	0	0	0	0	0	115.3	R180 K181 W182	G91-R180 CarbonylContact O-C 3.51Å; G91-R180 WeakPolarHBondContact O-CA 3.37Å; G91-K181 PolarHBondContact O-N 2.87Å; G91-W182 VanDerWaalsContact CA-CE2 3.45Å
92	F	95.7	Very high	95.1	Very high	1 Å²	1	41.4 Å²	41.4	0%	0.004	22%	0.217	C	C	.	.			trans	-99.2	7.8	179.3	58.7	-103.1	0	0	0	113.8	L87 S90 Y114 I116 F161 L164 P178 R180	L87-F92 HydrophobicContact CD2-CE2 4Å; S90-F92 VanDerWaalsContact CB-CE1 3.41Å; S90-F92 VanDerWaalsContact O-CD1 3.28Å; S90-F92 WeakPolarHBondContact O-CD1 3.38Å; S90-F92 PolarHBondContact O-N 3.35Å; S90-F92 VanDerWaalsContact O-N 3.13Å; S90-F92 PolarHBondContact OG-N 3.37Å; F92-Y114 HydrophobicContact CD2-CE2 4.13Å; F92-Y114 HydrophobicContact CE2-CE2 4.29Å; F92-Y114 HydrophobicContact CG-CE2 4.5Å; F92-I116 HydrophobicContact CD2-CG1 3.95Å; F92-I116 HydrophobicContact CE2-CG1 3.95Å; F92-I116 PolarHBondContact O-N 2.86Å; F92-F161 HydrophobicContact CE2-CE1 4.48Å; F92-F161 HydrophobicContact CZ-CD1 4.24Å; F92-F161 AromaticContact CZ-CE1 4Å; F92-F161 HydrophobicContact CZ-CE1 4Å; F92-L164 HydrophobicContact CE2-CD1 3.85Å; F92-L164 HydrophobicContact CZ-CD1 4.18Å; F92-P178 HydrophobicContact CB-CB 3.64Å; F92-P178 HydrophobicContact CD1-CB 3.44Å; F92-P178 VanDerWaalsContact CD1-CB 3.44Å; F92-P178 HydrophobicContact CD1-CG 4.12Å; F92-P178 HydrophobicContact CE1-CB 4.25Å; F92-P178 HydrophobicContact CG-CB 3.71Å; F92-R180 HydrophobicContact CB-CG 4.12Å
93	Y	97.6	Very high	95.3	Very high	12 Å²	12	40 Å²	40	5%	0.047	21%	0.208	C	C	.	.	B	Isolated β-bridge	trans	-90.7	123.8	169.9	-179.7	-116.7	0	0	0	110.7	L87 E88 I116 D118 F126 K181	L87-Y93 HydrophobicContact CB-CD1 4.27Å; L87-Y93 HydrophobicContact CB-CD2 4.05Å; L87-Y93 HydrophobicContact CB-CG 3.82Å; L87-Y93 HydrophobicContact CD1-CD2 4.04Å; L87-Y93 HydrophobicContact CD1-CE2 4.2Å; L87-Y93 HydrophobicContact CD2-CD2 4.37Å; L87-Y93 HydrophobicContact CG-CD2 4.4Å; L87-Y93 WeakPolarHBondContact O-CB 3.37Å; E88-Y93 HydrophobicContact CG-CD1 4.24Å; E88-Y93 HydrophobicContact CG-CE1 4.34Å; E88-Y93 WeakPolarHBondContact OE1-CE1 3.46Å; Y93-I116 CarbonylContact C-O 3.6Å; Y93-I116 WeakPolarHBondContact CA-O 3.41Å; Y93-I116 HydrophobicContact CD2-CB 4.08Å; Y93-I116 HydrophobicContact CD2-CG2 3.84Å; Y93-I116 HydrophobicContact CE2-CG2 4.25Å; Y93-D118 PolarHBondContact OH-OD1 2.64Å; Y93-F126 HydrophobicContact CE2-CD1 4.11Å; Y93-F126 HydrophobicContact CE2-CE1 4.14Å; Y93-K181 WeakPolarHBondContact O-CE 3.26Å; Y93-K181 PolarHBondContact O-NZ 2.67Å
94	W	97.1	Very high	95.4	Very high	58 Å²	58	45.5 Å²	45.5	22%	0.22	23%	0.228	C	C	.	.			trans	-104.6	4.9	-175.7	-70.7	74.4	0	0	0	114.4	L97 M105 L115 I116 Y179 K181	W94-L97 HydrophobicContact CB-CB 3.99Å; W94-L97 HydrophobicContact CB-CD2 3.7Å; W94-L97 HydrophobicContact CB-CG 4.35Å; W94-L97 HydrophobicContact CD2-CD2 4.37Å; W94-L97 HydrophobicContact CE3-CD2 4.5Å; W94-L97 HydrophobicContact CG-CD2 4.06Å; W94-M105 HydrophobicContact CD2-CE 3.67Å; W94-M105 HydrophobicContact CE3-CE 3.53Å; W94-M105 HydrophobicContact CE3-SD 4.37Å; W94-M105 HydrophobicContact CH2-CE 3.21Å; W94-M105 HydrophobicContact CZ2-CE 3.35Å; W94-M105 HydrophobicContact CZ3-CE 3.3Å; W94-M105 HydrophobicContact CZ3-SD 4.32Å; W94-L115 HydrophobicContact CB-CD1 4.48Å; W94-L115 HydrophobicContact CG-CD1 4.44Å; W94-L115 HydrophobicContact CG-CD2 4.36Å; W94-I116 PolarHBondContact N-O 3.05Å; W94-Y179 AromaticContact CE2-CD1 3.95Å; W94-Y179 HydrophobicContact CH2-CE1 4.09Å; W94-Y179 AromaticContact CZ2-CD1 3.58Å; W94-Y179 HydrophobicContact CZ2-CD1 3.58Å; W94-Y179 AromaticContact CZ2-CE1 3.5Å; W94-Y179 HydrophobicContact CZ2-CE1 3.5Å; W94-Y179 AromaticContact NE1-CD1 3.94Å; W94-Y179 PolarHBondContact NE1-O 2.97Å; W94-K181 HydrophobicContact CD2-CD 4.44Å; W94-K181 HydrophobicContact CD2-CG 3.84Å; W94-K181 HydrophobicContact CE3-CD 4.48Å; W94-K181 HydrophobicContact CE3-CG 3.95Å; W94-K181 HydrophobicContact CH2-CB 4.44Å; W94-K181 HydrophobicContact CH2-CG 3.66Å; W94-K181 HydrophobicContact CZ2-CB 4.3Å; W94-K181 HydrophobicContact CZ2-CG 3.52Å; W94-K181 HydrophobicContact CZ3-CG 3.87Å
95	G	94.9	Very high	95.4	Very high	4 Å²	4	45.8 Å²	45.8	4%	0.041	23%	0.227	C	C	.	.	S	Bend	trans	57.4	-135.6	178.3	0	0	0	0	0	111.6	L97 R117 D118	G95-L97 PolarHBondContact O-N 3.33Å; G95-R117 CarbonylContact O-C 3.54Å; G95-R117 WeakPolarHBondContact O-CA 3.35Å; G95-D118 PolarHBondContact O-N 3.45Å
96	P	94	Very high	95.6	Very high	89 Å²	89	43.3 Å²	43.3	58%	0.578	21%	0.207	S	C	*	.	S	Bend	trans	-76.2	60.1	-174.6	32.4	-36.6	0	0	0	112.9	D118	P96-D118 WeakPolarHBondContact CA-OD2 3.4Å; P96-D118 VanDerWaalsContact N-OD2 3.09Å
97	L	95.2	Very high	95.6	Very high	23 Å²	23	48 Å²	48	12%	0.12	22%	0.223	C	C	.	.			trans	-87.8	131.5	178.8	-164.4	68.4	0	0	0	111.4	W94 G95 E101 A102 M105 L115 R117	W94-L97 HydrophobicContact CB-CB 3.99Å; W94-L97 HydrophobicContact CB-CD2 3.7Å; W94-L97 HydrophobicContact CB-CG 4.35Å; W94-L97 HydrophobicContact CD2-CD2 4.37Å; W94-L97 HydrophobicContact CE3-CD2 4.5Å; W94-L97 HydrophobicContact CG-CD2 4.06Å; G95-L97 PolarHBondContact O-N 3.33Å; L97-E101 HydrophobicContact CD1-CB 3.93Å; L97-E101 HydrophobicContact CD1-CG 3.4Å; L97-E101 HydrophobicContact CG-CB 4.19Å; L97-E101 HydrophobicContact CG-CG 4.12Å; L97-A102 HydrophobicContact CD2-CB 3.74Å; L97-A102 HydrophobicContact CG-CB 4.35Å; L97-M105 HydrophobicContact CD1-SD 4.33Å; L97-M105 HydrophobicContact CD2-CE 4.5Å; L97-M105 HydrophobicContact CD2-SD 3.9Å; L97-L115 HydrophobicContact CD2-CD1 3.99Å; L97-L115 HydrophobicContact CD2-CD2 4.21Å; L97-R117 HydrophobicContact CB-CB 3.8Å; L97-R117 WeakPolarHBondContact O-CD 3.29Å
98	G	95.4	Very high	95.5	Very high	21 Å²	21	55 Å²	55	22%	0.216	26%	0.261	C	S	.	.			trans	-65.8	156.9	172	0	0	0	0	0	112.8	A102	G98-A102 WeakPolarHBondContact O-CB 3.46Å; G98-A102 PolarHBondContact O-N 2.94Å
99	V	96.6	Very high	95.6	Very high	40 Å²	40	50.6 Å²	50.6	24%	0.242	24%	0.242	C	C	.	.	H	α-helix	trans	-69.2	-39.2	179.4	67.2	0	0	0	0	111.5	E101 A102 H103 S138	V99-E101 VanDerWaalsContact C-N 3.32Å; V99-E101 PolarHBondContact O-N 2.85Å; V99-A102 PolarHBondContact O-N 3.08Å; V99-H103 WeakPolarHBondContact CG2-NE2 3.32Å; V99-H103 WeakPolarHBondContact O-CB 3.39Å; V99-H103 PolarHBondContact O-CD2 2.96Å; V99-H103 VanDerWaalsContact O-CD2 3.27Å; V99-H103 VanDerWaalsContact O-CG 3.27Å; V99-H103 PolarHBondContact O-N 2.97Å; V99-S138 WeakPolarHBondContact CG2-OG 3.49Å
100	E	97.3	Very high	95.8	Very high	123 Å²	123	47.9 Å²	47.9	58%	0.575	24%	0.243	S	C	*	.	H	α-helix	trans	-63.1	-41.6	179.2	-62.5	72.1	-154.9	0	0	111.1	R104	E100-R104 WeakPolarHBondContact O-CB 3.13Å; E100-R104 PolarHBondContact O-N 2.79Å
101	E	96.9	Very high	96	Very high	60 Å²	60	51.7 Å²	51.7	28%	0.28	26%	0.262	S	S	.	.	H	α-helix	trans	-64.7	-51.6	176.5	-172.7	59.4	-134.6	0	0	111.3	L97 V99 H103 R104 M105	L97-E101 HydrophobicContact CD1-CB 3.93Å; L97-E101 HydrophobicContact CD1-CG 3.4Å; L97-E101 HydrophobicContact CG-CB 4.19Å; L97-E101 HydrophobicContact CG-CG 4.12Å; V99-E101 VanDerWaalsContact C-N 3.32Å; V99-E101 PolarHBondContact O-N 2.85Å; E101-H103 VanDerWaalsContact C-N 3.26Å; E101-H103 PolarHBondContact O-N 3.49Å; E101-R104 WeakPolarHBondContact O-CB 3.29Å; E101-R104 PolarHBondContact O-N 2.91Å; E101-R104 IonicContact OE1-CZ 3.14Å; E101-R104 IonicContact OE1-NE 3.74Å; E101-R104 IonicContact OE1-NH1 3.67Å; E101-R104 IonicContact OE1-NH2 2.64Å; E101-R104 PolarHBondContact OE1-NH2 2.77Å; E101-R104 IonicContact OE2-CZ 2.94Å; E101-R104 IonicContact OE2-NH1 2.69Å; E101-R104 PolarHBondContact OE2-NH1 2.98Å; E101-R104 IonicContact OE2-NH2 2.6Å; E101-R104 PolarHBondContact OE2-NH2 2.95Å; E101-M105 HydrophobicContact CG-SD 4Å; E101-M105 WeakPolarHBondContact O-CG 3.49Å; E101-M105 PolarHBondContact O-N 3.01Å
102	A	97.6	Very high	96	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	26%	0.264	C	S	.	.	H	α-helix	trans	-55.7	-43.3	177.3	0	0	0	0	0	111.6	L97 G98 V99 L106 L115	L97-A102 HydrophobicContact CD2-CB 3.74Å; L97-A102 HydrophobicContact CG-CB 4.35Å; G98-A102 WeakPolarHBondContact O-CB 3.46Å; G98-A102 PolarHBondContact O-N 2.94Å; V99-A102 PolarHBondContact O-N 3.08Å; A102-L106 WeakPolarHBondContact O-CB 3.36Å; A102-L106 WeakPolarHBondContact O-CD1 3.49Å; A102-L106 VanDerWaalsContact O-CG 3.24Å; A102-L106 WeakPolarHBondContact O-CG 3.17Å; A102-L106 PolarHBondContact O-N 2.98Å; A102-L115 HydrophobicContact CB-CD1 4.16Å
103	H	98.1	Very high	96	Very high	42 Å²	42	52 Å²	52	19%	0.194	27%	0.265	C	S	.	.	H	α-helix	trans	-65.4	-41.6	176.8	-71.7	-167.5	0	0	0	111.4	V99 E101 M105 L106 R107 P136 S138	V99-H103 WeakPolarHBondContact CG2-NE2 3.32Å; V99-H103 WeakPolarHBondContact O-CB 3.39Å; V99-H103 PolarHBondContact O-CD2 2.96Å; V99-H103 VanDerWaalsContact O-CD2 3.27Å; V99-H103 VanDerWaalsContact O-CG 3.27Å; V99-H103 PolarHBondContact O-N 2.97Å; E101-H103 VanDerWaalsContact C-N 3.26Å; E101-H103 PolarHBondContact O-N 3.49Å; H103-M105 PolarHBondContact O-N 2.72Å; H103-L106 PolarHBondContact O-N 2.82Å; H103-R107 WeakPolarHBondContact O-CG 3.47Å; H103-R107 PolarHBondContact O-N 3.24Å; H103-P136 HydrophobicContact CB-CB 3.94Å; H103-P136 HydrophobicContact CB-CG 4.34Å; H103-P136 WeakPolarHBondContact O-CG 3.33Å; H103-S138 PolarHBondContact NE2-OG 3.18Å
104	R	97.6	Very high	96	Very high	121 Å²	121	51.5 Å²	51.5	46%	0.457	26%	0.263	S	S	.	.	H	α-helix	trans	-59.9	-46.4	177.4	-170.8	173.2	71.8	-117.4	12.3	112.4	E100 E101 L106 R107	E100-R104 WeakPolarHBondContact O-CB 3.13Å; E100-R104 PolarHBondContact O-N 2.79Å; E101-R104 WeakPolarHBondContact O-CB 3.29Å; E101-R104 PolarHBondContact O-N 2.91Å; E101-R104 IonicContact OE1-CZ 3.14Å; E101-R104 IonicContact OE1-NE 3.74Å; E101-R104 IonicContact OE1-NH1 3.67Å; E101-R104 IonicContact OE1-NH2 2.64Å; E101-R104 PolarHBondContact OE1-NH2 2.77Å; E101-R104 IonicContact OE2-CZ 2.94Å; E101-R104 IonicContact OE2-NH1 2.69Å; E101-R104 PolarHBondContact OE2-NH1 2.98Å; E101-R104 IonicContact OE2-NH2 2.6Å; E101-R104 PolarHBondContact OE2-NH2 2.95Å; R104-L106 VanDerWaalsContact C-N 3.35Å; R104-R107 VanDerWaalsContact CA-CZ 3.49Å; R104-R107 VanDerWaalsContact CA-NH2 3.29Å; R104-R107 PolarHBondContact O-N 2.77Å
105	M	96.9	Very high	96	Very high	24 Å²	24	48.7 Å²	48.7	12%	0.118	25%	0.253	C	S	.	.	H	α-helix	trans	-62.3	-43.9	177.8	-64	162.9	59.3	0	0	111.5	W94 L97 E101 H103 N108 L115 Y179	W94-M105 HydrophobicContact CD2-CE 3.67Å; W94-M105 HydrophobicContact CE3-CE 3.53Å; W94-M105 HydrophobicContact CE3-SD 4.37Å; W94-M105 HydrophobicContact CH2-CE 3.21Å; W94-M105 HydrophobicContact CZ2-CE 3.35Å; W94-M105 HydrophobicContact CZ3-CE 3.3Å; W94-M105 HydrophobicContact CZ3-SD 4.32Å; L97-M105 HydrophobicContact CD1-SD 4.33Å; L97-M105 HydrophobicContact CD2-CE 4.5Å; L97-M105 HydrophobicContact CD2-SD 3.9Å; E101-M105 HydrophobicContact CG-SD 4Å; E101-M105 WeakPolarHBondContact O-CG 3.49Å; E101-M105 PolarHBondContact O-N 3.01Å; H103-M105 PolarHBondContact O-N 2.72Å; M105-N108 PolarHBondContact O-N 3.44Å; M105-L115 HydrophobicContact CE-CD2 4.19Å; M105-Y179 HydrophobicContact CB-CE1 4.35Å; M105-Y179 HydrophobicContact CE-CD1 4Å; M105-Y179 HydrophobicContact CE-CE1 3.45Å; M105-Y179 VanDerWaalsContact CE-CE1 3.45Å
106	L	97.3	Very high	96.2	Very high	0 Å²	0	48.5 Å²	48.5	0%	0	25%	0.251	C	S	.	.	H	α-helix	trans	-73.3	-27.3	-177.5	-71.5	170.1	0	0	0	114	A102 H103 R104 N108 A109 L115 S129 H131 P136 Y179	A102-L106 WeakPolarHBondContact O-CB 3.36Å; A102-L106 WeakPolarHBondContact O-CD1 3.49Å; A102-L106 VanDerWaalsContact O-CG 3.24Å; A102-L106 WeakPolarHBondContact O-CG 3.17Å; A102-L106 PolarHBondContact O-N 2.98Å; H103-L106 PolarHBondContact O-N 2.82Å; R104-L106 VanDerWaalsContact C-N 3.35Å; L106-N108 PolarHBondContact O-N 2.91Å; L106-A109 HydrophobicContact CD2-CB 4.47Å; L106-A109 WeakPolarHBondContact O-CB 3.48Å; L106-A109 PolarHBondContact O-N 3.02Å; L106-L115 HydrophobicContact CD1-CD2 4.32Å; L106-L115 HydrophobicContact CD1-CG 4.31Å; L106-L115 HydrophobicContact CD2-CD2 4.33Å; L106-L115 HydrophobicContact CG-CD2 4.15Å; L106-S129 VanDerWaalsContact CD1-C 3.45Å; L106-H131 HydrophobicContact CB-CB 4.39Å; L106-H131 PolarHBondContact O-ND1 3.39Å; L106-P136 HydrophobicContact CB-CB 4.04Å; L106-P136 HydrophobicContact CB-CG 4.03Å; L106-Y179 HydrophobicContact CD2-CD2 4.49Å; L106-Y179 HydrophobicContact CD2-CG 4.42Å
107	R	95.9	Very high	96.4	Very high	130 Å²	130	45 Å²	45	49%	0.491	23%	0.226	S	C	.	.	H	α-helix	trans	-56.1	-36.7	175.8	-82.1	-170.1	-71.2	-85.7	8.3	112.3	H103 R104 P136	H103-R107 WeakPolarHBondContact O-CG 3.47Å; H103-R107 PolarHBondContact O-N 3.24Å; R104-R107 VanDerWaalsContact CA-CZ 3.49Å; R104-R107 VanDerWaalsContact CA-NH2 3.29Å; R104-R107 PolarHBondContact O-N 2.77Å; R107-P136 HydrophobicContact CB-CG 4.32Å; R107-P136 HydrophobicContact CG-CG 3.52Å
108	N	92.9	Very high	96.4	Very high	149 Å²	149	44.6 Å²	44.6	80%	0.797	22%	0.224	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90	-5.2	-178.9	-60.9	-24.9	0	0	0	112.5	M105 L106	M105-N108 PolarHBondContact O-N 3.44Å; L106-N108 PolarHBondContact O-N 2.91Å
109	A	95.1	Very high	96.3	Very high	8 Å²	8	43.7 Å²	43.7	7%	0.066	21%	0.214	C	C	.	.	S	Bend	trans	-89.1	158.1	-180	0	0	0	0	0	111.3	L106 H131 Y179	L106-A109 HydrophobicContact CD2-CB 4.47Å; L106-A109 WeakPolarHBondContact O-CB 3.48Å; L106-A109 PolarHBondContact O-N 3.02Å; A109-H131 PolarHBondContact O-CE1 2.81Å; A109-H131 PolarHBondContact O-ND1 2.77Å; A109-Y179 HydrophobicContact CB-CD2 3.66Å; A109-Y179 HydrophobicContact CB-CE2 3.73Å
110	P	94.9	Very high	96	Very high	90 Å²	90	50.7 Å²	50.7	58%	0.584	24%	0.236	S	C	*	.	P	Polyproline II helix	trans	-55	153	173.8	-26.9	35.1	0	0	0	113.9	G112 S113	P110-G112 PolarHBondContact O-N 3.21Å; P110-S113 WeakPolarHBondContact CD-OG 3.21Å; P110-S113 WeakPolarHBondContact O-CB 3.49Å; P110-S113 PolarHBondContact O-N 2.65Å; P110-S113 PolarHBondContact O-OG 3.47Å; P110-S113 VanDerWaalsContact O-OG 3.08Å
111	L	94.8	Very high	95.5	Very high	90 Å²	90	49.3 Å²	49.3	47%	0.471	23%	0.23	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.8	131	174.5	-73.3	175	0	0	0	111.3	S113	L111-S113 VanDerWaalsContact C-N 3.32Å
112	G	94.2	Very high	95	Very high	3 Å²	3	54 Å²	54	3%	0.031	25%	0.249	C	C	.	.	T	Hydrogen-bonded Turn	trans	82.2	4.6	-174.7	0	0	0	0	0	114.4	P110 H131 S174 K176 V177	P110-G112 PolarHBondContact O-N 3.21Å; G112-H131 WeakPolarHBondContact CA-O 3.22Å; G112-H131 PolarHBondContact N-O 3.42Å; G112-S174 WeakPolarHBondContact CA-O 3.28Å; G112-K176 PolarHBondContact O-N 2.95Å; G112-V177 PolarHBondContact O-N 3.39Å
113	S	96.4	Very high	94.4	Very high	6 Å²	6	58.3 Å²	58.3	4%	0.042	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.3	140.1	166.6	-75	0	0	0	0	110.6	P110 L111 Y130 H131 V177	P110-S113 WeakPolarHBondContact CD-OG 3.21Å; P110-S113 WeakPolarHBondContact O-CB 3.49Å; P110-S113 PolarHBondContact O-N 2.65Å; P110-S113 PolarHBondContact O-OG 3.47Å; P110-S113 VanDerWaalsContact O-OG 3.08Å; L111-S113 VanDerWaalsContact C-N 3.32Å; S113-Y130 CarbonylContact O-C 3.59Å; S113-Y130 WeakPolarHBondContact O-CA 3.38Å; S113-Y130 WeakPolarHBondContact O-CB 3.24Å; S113-H131 PolarHBondContact O-N 3.13Å; S113-V177 CarbonylContact C-O 3.56Å; S113-V177 VanDerWaalsContact CA-O 3.22Å; S113-V177 WeakPolarHBondContact CA-O 3.28Å
114	Y	97.2	Very high	94.1	Very high	0 Å²	0	57.1 Å²	57.1	0%	0	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	156.7	-177.4	76	-90.2	0	0	0	113.4	F92 L128 S129 L164 M168 L175 V177 P178 Y179	F92-Y114 HydrophobicContact CD2-CE2 4.13Å; F92-Y114 HydrophobicContact CE2-CE2 4.29Å; F92-Y114 HydrophobicContact CG-CE2 4.5Å; Y114-L128 HydrophobicContact CD2-CD1 3.74Å; Y114-L128 HydrophobicContact CG-CD1 4.19Å; Y114-S129 CarbonylContact C-O 3.49Å; Y114-S129 VanDerWaalsContact CA-O 3.24Å; Y114-S129 WeakPolarHBondContact CA-O 3.49Å; Y114-L164 HydrophobicContact CE2-CD1 4.06Å; Y114-L164 HydrophobicContact CE2-CD2 4.25Å; Y114-M168 HydrophobicContact CE1-CE 4.27Å; Y114-M168 HydrophobicContact CE1-CG 4.3Å; Y114-M168 HydrophobicContact CE1-SD 3.54Å; Y114-M168 VanDerWaalsContact CE1-SD 3.54Å; Y114-M168 PolarHBondContact OH-SD 3.34Å; Y114-L175 HydrophobicContact CD1-CB 4.02Å; Y114-L175 HydrophobicContact CD1-CD2 4.36Å; Y114-L175 HydrophobicContact CE1-CB 4.41Å; Y114-L175 HydrophobicContact CG-CD2 4.13Å; Y114-V177 VanDerWaalsContact CD1-O 3.25Å; Y114-V177 WeakPolarHBondContact CD1-O 3.47Å; Y114-V177 PolarHBondContact N-O 3.37Å; Y114-P178 HydrophobicContact CE1-CB 4.06Å; Y114-P178 HydrophobicContact CE1-CG 3.94Å; Y114-P178 HydrophobicContact CE2-CB 4.29Å; Y114-P178 CarbonylContact O-C 3.56Å; Y114-P178 WeakPolarHBondContact OH-CG 3.33Å; Y114-Y179 WeakPolarHBondContact O-CB 3.47Å; Y114-Y179 PolarHBondContact O-N 3.24Å
115	L	97.7	Very high	93.9	Very high	0 Å²	0	51.8 Å²	51.8	0%	0	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	157.6	173.5	62.6	84.1	0	0	0	111.3	W94 L97 A102 M105 L106 R117 S129 Y179	W94-L115 HydrophobicContact CB-CD1 4.48Å; W94-L115 HydrophobicContact CG-CD1 4.44Å; W94-L115 HydrophobicContact CG-CD2 4.36Å; L97-L115 HydrophobicContact CD2-CD1 3.99Å; L97-L115 HydrophobicContact CD2-CD2 4.21Å; A102-L115 HydrophobicContact CB-CD1 4.16Å; M105-L115 HydrophobicContact CE-CD2 4.19Å; L106-L115 HydrophobicContact CD1-CD2 4.32Å; L106-L115 HydrophobicContact CD1-CG 4.31Å; L106-L115 HydrophobicContact CD2-CD2 4.33Å; L106-L115 HydrophobicContact CG-CD2 4.15Å; L115-R117 HydrophobicContact CD1-CB 4.18Å; L115-R117 HydrophobicContact CD1-CG 4.3Å; L115-S129 PolarHBondContact N-O 3.05Å; L115-S129 PolarHBondContact O-N 3.08Å; L115-Y179 HydrophobicContact CD2-CD1 4.25Å
116	I	98.2	Very high	93.9	Very high	0 Å²	0	50.7 Å²	50.7	0%	0	24%	0.243	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	139	171.6	-54.2	-61.5	0	0	0	108.5	L87 F92 Y93 W94 F126 L128 I141 L160 L164	L87-I116 HydrophobicContact CD1-CG2 4.02Å; L87-I116 HydrophobicContact CD2-CB 4.03Å; L87-I116 HydrophobicContact CD2-CG1 3.97Å; L87-I116 HydrophobicContact CD2-CG2 4.02Å; F92-I116 HydrophobicContact CD2-CG1 3.95Å; F92-I116 HydrophobicContact CE2-CG1 3.95Å; F92-I116 PolarHBondContact O-N 2.86Å; Y93-I116 CarbonylContact C-O 3.6Å; Y93-I116 WeakPolarHBondContact CA-O 3.41Å; Y93-I116 HydrophobicContact CD2-CB 4.08Å; Y93-I116 HydrophobicContact CD2-CG2 3.84Å; Y93-I116 HydrophobicContact CE2-CG2 4.25Å; W94-I116 PolarHBondContact N-O 3.05Å; I116-F126 HydrophobicContact CG2-CB 4.18Å; I116-F126 HydrophobicContact CG2-CD1 4.43Å; I116-L128 HydrophobicContact CD1-CB 4.14Å; I116-L128 HydrophobicContact CD1-CD1 3.73Å; I116-I141 HydrophobicContact CD1-CD1 3.97Å; I116-L160 HydrophobicContact CG1-CD2 4.48Å; I116-L164 HydrophobicContact CD1-CD1 4.16Å; I116-L164 HydrophobicContact CD1-CD2 4.06Å; I116-L164 HydrophobicContact CG1-CD1 4.27Å
117	R	97.4	Very high	93.9	Very high	14 Å²	14	51 Å²	51	5%	0.053	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140.7	166.3	175.6	59.9	-178.7	-175.4	74.4	-2.8	110	G95 L97 L115 F126 T127 S129 S138	G95-R117 CarbonylContact O-C 3.54Å; G95-R117 WeakPolarHBondContact O-CA 3.35Å; L97-R117 HydrophobicContact CB-CB 3.8Å; L97-R117 WeakPolarHBondContact O-CD 3.29Å; L115-R117 HydrophobicContact CD1-CB 4.18Å; L115-R117 HydrophobicContact CD1-CG 4.3Å; R117-F126 CarbonylContact O-C 3.47Å; R117-T127 PolarHBondContact N-O 3.31Å; R117-T127 PolarHBondContact O-N 3.35Å; R117-S129 PolarHBondContact NE-OG 3.3Å; R117-S138 PolarHBondContact NH2-OG 3.38Å
118	D	95.7	Very high	94	Very high	16 Å²	16	44.8 Å²	44.8	9%	0.086	22%	0.221	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-61.2	140.8	169.1	-67.5	-30.5	0	0	0	110.6	Y93 G95 P96	Y93-D118 PolarHBondContact OH-OD1 2.64Å; G95-D118 PolarHBondContact O-N 3.45Å; P96-D118 WeakPolarHBondContact CA-OD2 3.4Å; P96-D118 VanDerWaalsContact N-OD2 3.09Å
119	S	94.1	Very high	94.2	Very high	1 Å²	1	37.7 Å²	37.7	1%	0.007	18%	0.183	C	C	.	.			trans	-77.1	137.6	165.5	178.1	0	0	0	0	109.1	H67 Q121 V124 F125 T127	H67-S119 PolarHBondContact CD2-O 3.16Å; H67-S119 PolarHBondContact NE2-O 3.5Å; S119-Q121 VanDerWaalsContact C-N 3.3Å; S119-Q121 WeakPolarHBondContact OG-CB 3.19Å; S119-Q121 PolarHBondContact OG-N 3.31Å; S119-V124 WeakPolarHBondContact CB-O 3.06Å; S119-V124 WeakPolarHBondContact OG-CB 3.43Å; S119-V124 WeakPolarHBondContact OG-CG1 3.37Å; S119-F125 PolarHBondContact N-O 3.16Å; S119-T127 WeakPolarHBondContact CA-OG1 3.21Å; S119-T127 WeakPolarHBondContact CB-OG1 3.45Å
120	R	88.9	Confident	94.3	Very high	188 Å²	188	39.2 Å²	39.2	71%	0.709	19%	0.187	S	C	*	.			trans	-88	-3.1	168.3	-64.6	178.3	66.6	-173	2.6	112.3
121	Q	87.4	Confident	94.4	Very high	93 Å²	93	36.2 Å²	36.2	44%	0.435	17%	0.165	S	C	.	.	S	Bend	trans	-87.3	144	-179.6	-61.9	-162.7	16	0	0	111.2	H67 S119 V124 R140	H67-Q121 PolarHBondContact CD2-O 2.79Å; S119-Q121 VanDerWaalsContact C-N 3.3Å; S119-Q121 WeakPolarHBondContact OG-CB 3.19Å; S119-Q121 PolarHBondContact OG-N 3.31Å; Q121-V124 PolarHBondContact O-N 2.92Å; Q121-R140 VanDerWaalsContact OE1-CD 3.27Å
122	K	86.3	Confident	94.4	Very high	158 Å²	158	34.3 Å²	34.3	69%	0.687	16%	0.156	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	139.8	176	-163	-173.4	172.4	-178.4	0	111	H67 V124	H67-K122 WeakPolarHBondContact O-CA 3.46Å; K122-V124 PolarHBondContact O-N 3.37Å
123	D	86	Confident	94.3	Very high	92 Å²	92	43 Å²	43	49%	0.492	19%	0.193	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.4	18.7	174.5	-54	-46.3	0	0	0	114.9	H67 P69	H67-D123 PolarHBondContact O-N 3.32Å; P69-D123 HydrophobicContact CB-CB 4.06Å; P69-D123 HydrophobicContact CG-CB 4.48Å
124	V	91.4	Very high	94.1	Very high	16 Å²	16	52.4 Å²	52.4	10%	0.097	23%	0.233	C	C	.	.			trans	-127.4	130.3	175.8	-179.2	0	0	0	0	108.8	S119 Q121 K122 F126 R140	S119-V124 WeakPolarHBondContact CB-O 3.06Å; S119-V124 WeakPolarHBondContact OG-CB 3.43Å; S119-V124 WeakPolarHBondContact OG-CG1 3.37Å; Q121-V124 PolarHBondContact O-N 2.92Å; K122-V124 PolarHBondContact O-N 3.37Å; V124-F126 WeakPolarHBondContact CG1-O 2.88Å; V124-R140 HydrophobicContact CG1-CB 4.14Å; V124-R140 HydrophobicContact CG1-CG 4.46Å
125	F	93.6	Very high	94	Very high	9 Å²	9	53.2 Å²	53.2	4%	0.039	24%	0.241	C	C	.	.			trans	-82.4	-53.9	179	-64.2	-77.9	0	0	0	111.9	M7 F68 P69 F71 I80 S119	M7-F125 HydrophobicContact CE-CD1 3.76Å; M7-F125 HydrophobicContact CE-CE1 4.16Å; M7-F125 HydrophobicContact CE-CG 4.5Å; M7-F125 HydrophobicContact SD-CD1 4.28Å; F68-F125 HydrophobicContact CB-CD1 4.13Å; F68-F125 HydrophobicContact CB-CE1 3.84Å; F68-F125 AromaticContact CD1-CD1 3.59Å; F68-F125 HydrophobicContact CD1-CD1 3.59Å; F68-F125 HydrophobicContact CD1-CE1 4.19Å; F68-F125 HydrophobicContact CD1-CG 4.35Å; F68-F125 HydrophobicContact CE1-CD1 4.25Å; F68-F125 HydrophobicContact CG-CD1 4.02Å; F68-F125 HydrophobicContact CG-CE1 4.21Å; P69-F125 VanDerWaalsContact CD-CZ 3.5Å; P69-F125 HydrophobicContact CG-CD2 4.08Å; P69-F125 HydrophobicContact CG-CE1 4.08Å; P69-F125 HydrophobicContact CG-CE2 3.35Å; P69-F125 HydrophobicContact CG-CZ 3.36Å; F71-F125 HydrophobicContact CD1-CZ 4.37Å; F71-F125 HydrophobicContact CE1-CE1 4.2Å; F71-F125 HydrophobicContact CE1-CE2 4.25Å; F71-F125 AromaticContact CE1-CZ 3.53Å; F71-F125 HydrophobicContact CE1-CZ 3.53Å; F71-F125 AromaticContact CZ-CE1 3.89Å; F71-F125 HydrophobicContact CZ-CE1 3.89Å; F71-F125 AromaticContact CZ-CZ 3.69Å; F71-F125 HydrophobicContact CZ-CZ 3.69Å; I80-F125 HydrophobicContact CD1-CD2 3.95Å; I80-F125 HydrophobicContact CD1-CE2 4.12Å; I80-F125 HydrophobicContact CG1-CD2 4.29Å; I80-F125 HydrophobicContact CG1-CE2 3.99Å; I80-F125 HydrophobicContact CG1-CZ 4.37Å; I80-F125 HydrophobicContact CG2-CD1 4.01Å; I80-F125 HydrophobicContact CG2-CD2 4.33Å; I80-F125 HydrophobicContact CG2-CE1 3.9Å; I80-F125 HydrophobicContact CG2-CE2 4.24Å; I80-F125 HydrophobicContact CG2-CG 4.21Å; I80-F125 HydrophobicContact CG2-CZ 4.01Å; S119-F125 PolarHBondContact N-O 3.16Å
126	F	97.1	Very high	93.9	Very high	2 Å²	2	54.3 Å²	54.3	1%	0.009	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.4	152.8	-166.6	-53	-64.2	0	0	0	112.8	M7 T83 A84 L87 Y93 I116 R117 V124 I141 L160	M7-F126 HydrophobicContact CE-CZ 3.98Å; T83-F126 HydrophobicContact CG2-CE2 3.98Å; T83-F126 HydrophobicContact CG2-CZ 4.46Å; A84-F126 HydrophobicContact CB-CZ 4.27Å; L87-F126 HydrophobicContact CD1-CD1 3.91Å; L87-F126 HydrophobicContact CD1-CD2 4.48Å; L87-F126 HydrophobicContact CD1-CE1 3.7Å; L87-F126 HydrophobicContact CD1-CE2 4.3Å; L87-F126 HydrophobicContact CD1-CG 4.3Å; L87-F126 HydrophobicContact CD1-CZ 3.9Å; Y93-F126 HydrophobicContact CE2-CD1 4.11Å; Y93-F126 HydrophobicContact CE2-CE1 4.14Å; I116-F126 HydrophobicContact CG2-CB 4.18Å; I116-F126 HydrophobicContact CG2-CD1 4.43Å; R117-F126 CarbonylContact O-C 3.47Å; V124-F126 WeakPolarHBondContact CG1-O 2.88Å; F126-I141 HydrophobicContact CB-CB 4.32Å; F126-I141 HydrophobicContact CB-CD1 4.12Å; F126-I141 PolarHBondContact O-N 3.18Å; F126-L160 HydrophobicContact CB-CD1 4.18Å; F126-L160 HydrophobicContact CD2-CD1 3.7Å; F126-L160 HydrophobicContact CE2-CD1 4.35Å; F126-L160 HydrophobicContact CG-CD1 4.06Å
127	T	97.5	Very high	93.8	Very high	5 Å²	5	56.5 Å²	56.5	3%	0.031	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.4	132.1	172.9	-60.9	0	0	0	0	110.1	R117 S119 V139	R117-T127 PolarHBondContact N-O 3.31Å; R117-T127 PolarHBondContact O-N 3.35Å; S119-T127 WeakPolarHBondContact CA-OG1 3.21Å; S119-T127 WeakPolarHBondContact CB-OG1 3.45Å; T127-V139 WeakPolarHBondContact CG2-O 3.41Å
128	L	97.4	Very high	93.8	Very high	1 Å²	1	57.7 Å²	57.7	1%	0.005	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	124.3	170.4	172	64	0	0	0	108.9	Y114 I116 Y130 S138 V139 I141 L150 L164 L175	Y114-L128 HydrophobicContact CD2-CD1 3.74Å; Y114-L128 HydrophobicContact CG-CD1 4.19Å; I116-L128 HydrophobicContact CD1-CB 4.14Å; I116-L128 HydrophobicContact CD1-CD1 3.73Å; L128-Y130 HydrophobicContact CD2-CD1 4.23Å; L128-Y130 HydrophobicContact CG-CD1 4.08Å; L128-S138 CarbonylContact O-C 3.5Å; L128-S138 VanDerWaalsContact O-CA 3.3Å; L128-S138 WeakPolarHBondContact O-CA 3.19Å; L128-V139 PolarHBondContact N-O 2.99Å; L128-V139 PolarHBondContact O-N 2.95Å; L128-I141 HydrophobicContact CB-CD1 4.17Å; L128-I141 HydrophobicContact CB-CG1 4.26Å; L128-L150 HydrophobicContact CD2-CD2 4.03Å; L128-L164 HydrophobicContact CD1-CD2 4.01Å; L128-L164 HydrophobicContact CD2-CD2 4.32Å; L128-L175 HydrophobicContact CD1-CD1 4.42Å; L128-L175 HydrophobicContact CD1-CD2 4.3Å; L128-L175 HydrophobicContact CD2-CD1 3.86Å; L128-L175 HydrophobicContact CD2-CD2 4.1Å
129	S	97.8	Very high	93.8	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	28%	0.278	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.8	132.8	169.4	-53.6	0	0	0	0	109.1	L106 Y114 L115 R117 V137 S138	L106-S129 VanDerWaalsContact CD1-C 3.45Å; Y114-S129 CarbonylContact C-O 3.49Å; Y114-S129 VanDerWaalsContact CA-O 3.24Å; Y114-S129 WeakPolarHBondContact CA-O 3.49Å; L115-S129 PolarHBondContact N-O 3.05Å; L115-S129 PolarHBondContact O-N 3.08Å; R117-S129 PolarHBondContact NE-OG 3.3Å; S129-V137 CarbonylContact C-O 3.58Å; S129-V137 VanDerWaalsContact CA-O 3.29Å; S129-V137 WeakPolarHBondContact CA-O 3.49Å; S129-S138 PolarHBondContact OG-OG 3.47Å
130	Y	96.9	Very high	93.9	Very high	39 Å²	39	63.3 Å²	63.3	15%	0.153	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-146.4	155.5	-178.1	66.8	-83.1	0	0	0	112.5	S113 L128 D132 P136 V137 V139 S174 L175	S113-Y130 CarbonylContact O-C 3.59Å; S113-Y130 WeakPolarHBondContact O-CA 3.38Å; S113-Y130 WeakPolarHBondContact O-CB 3.24Å; L128-Y130 HydrophobicContact CD2-CD1 4.23Å; L128-Y130 HydrophobicContact CG-CD1 4.08Å; Y130-D132 HydrophobicContact CD2-CB 4.3Å; Y130-D132 HydrophobicContact CE2-CB 3.88Å; Y130-D132 PolarHBondContact O-N 3.13Å; Y130-P136 CarbonylContact O-C 3.56Å; Y130-P136 VanDerWaalsContact O-CA 3.3Å; Y130-P136 WeakPolarHBondContact O-CA 3.25Å; Y130-V137 HydrophobicContact CD1-CG2 3.76Å; Y130-V137 HydrophobicContact CD2-CG2 3.87Å; Y130-V137 HydrophobicContact CE1-CG2 3.36Å; Y130-V137 HydrophobicContact CE2-CG2 3.44Å; Y130-V137 VanDerWaalsContact CE2-CG2 3.44Å; Y130-V137 HydrophobicContact CG-CG2 4.01Å; Y130-V137 PolarHBondContact N-O 3.39Å; Y130-V137 PolarHBondContact O-N 2.8Å; Y130-V139 HydrophobicContact CE1-CG2 3.95Å; Y130-S174 WeakPolarHBondContact CD2-O 3.39Å; Y130-L175 VanDerWaalsContact CB-CD2 3.48Å; Y130-L175 HydrophobicContact CD1-CD2 3.97Å; Y130-L175 HydrophobicContact CD2-CD2 3.98Å; Y130-L175 HydrophobicContact CG-CD2 3.56Å
131	H	96.5	Very high	94.2	Very high	27 Å²	27	54.5 Å²	54.5	13%	0.125	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.1	99.9	177.6	-168.2	-179.9	0	0	0	110.4	L106 A109 G112 S113	L106-H131 HydrophobicContact CB-CB 4.39Å; L106-H131 PolarHBondContact O-ND1 3.39Å; A109-H131 PolarHBondContact O-CE1 2.81Å; A109-H131 PolarHBondContact O-ND1 2.77Å; G112-H131 WeakPolarHBondContact CA-O 3.22Å; G112-H131 PolarHBondContact N-O 3.42Å; S113-H131 PolarHBondContact O-N 3.13Å
132	D	94.1	Very high	94.6	Very high	51 Å²	51	51.9 Å²	51.9	27%	0.273	25%	0.252	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.9	168.4	172.4	-171.2	28.4	0	0	0	111.3	Y130 K134 G135 V137	Y130-D132 HydrophobicContact CD2-CB 4.3Å; Y130-D132 HydrophobicContact CE2-CB 3.88Å; Y130-D132 PolarHBondContact O-N 3.13Å; D132-K134 PolarHBondContact O-N 3.5Å; D132-K134 VanDerWaalsContact O-N 3.14Å; D132-G135 WeakPolarHBondContact CA-O 3.46Å; D132-G135 WeakPolarHBondContact CB-O 3.42Å; D132-G135 PolarHBondContact N-O 3.37Å; D132-G135 PolarHBondContact O-N 2.62Å; D132-V137 HydrophobicContact CB-CG1 4.44Å; D132-V137 HydrophobicContact CB-CG2 4.03Å
133	K	92.1	Very high	95	Very high	185 Å²	185	46.2 Å²	46.2	80%	0.804	23%	0.226	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-29.4	177.7	-63.6	-179.2	-179.9	-179.1	0	113.6	G135	K133-G135 VanDerWaalsContact C-N 3.34Å
134	K	92.8	Very high	95.3	Very high	204 Å²	204	49.1 Å²	49.1	89%	0.887	24%	0.235	S	C	*	.	T	Hydrogen-bonded Turn	trans	-90.7	1.1	178.5	-63.2	-177	179.7	-178.3	0	113.2	D132	D132-K134 PolarHBondContact O-N 3.5Å; D132-K134 VanDerWaalsContact O-N 3.14Å
135	G	94.3	Very high	95.3	Very high	17 Å²	17	57 Å²	57	18%	0.175	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	116.3	179.4	-174.6	0	0	0	0	0	112.6	D132 K133	D132-G135 WeakPolarHBondContact CA-O 3.46Å; D132-G135 WeakPolarHBondContact CB-O 3.42Å; D132-G135 PolarHBondContact N-O 3.37Å; D132-G135 PolarHBondContact O-N 2.62Å; K133-G135 VanDerWaalsContact C-N 3.34Å
136	P	96.5	Very high	95.4	Very high	23 Å²	23	60.2 Å²	60.2	15%	0.149	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-66	140.4	-179	-20.2	32	0	0	0	112.8	H103 L106 R107 Y130	H103-P136 HydrophobicContact CB-CB 3.94Å; H103-P136 HydrophobicContact CB-CG 4.34Å; H103-P136 WeakPolarHBondContact O-CG 3.33Å; L106-P136 HydrophobicContact CB-CB 4.04Å; L106-P136 HydrophobicContact CB-CG 4.03Å; R107-P136 HydrophobicContact CB-CG 4.32Å; R107-P136 HydrophobicContact CG-CG 3.52Å; Y130-P136 CarbonylContact O-C 3.56Å; Y130-P136 VanDerWaalsContact O-CA 3.3Å; Y130-P136 WeakPolarHBondContact O-CA 3.25Å
137	V	95.9	Very high	95.3	Very high	46 Å²	46	64.9 Å²	64.9	28%	0.279	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.6	152.9	178.9	-65.4	0	0	0	0	109.8	S129 Y130 D132	S129-V137 CarbonylContact C-O 3.58Å; S129-V137 VanDerWaalsContact CA-O 3.29Å; S129-V137 WeakPolarHBondContact CA-O 3.49Å; Y130-V137 HydrophobicContact CD1-CG2 3.76Å; Y130-V137 HydrophobicContact CD2-CG2 3.87Å; Y130-V137 HydrophobicContact CE1-CG2 3.36Å; Y130-V137 HydrophobicContact CE2-CG2 3.44Å; Y130-V137 VanDerWaalsContact CE2-CG2 3.44Å; Y130-V137 HydrophobicContact CG-CG2 4.01Å; Y130-V137 PolarHBondContact N-O 3.39Å; Y130-V137 PolarHBondContact O-N 2.8Å; D132-V137 HydrophobicContact CB-CG1 4.44Å; D132-V137 HydrophobicContact CB-CG2 4.03Å
138	S	96.6	Very high	95.3	Very high	39 Å²	39	64.8 Å²	64.8	27%	0.273	31%	0.305	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.1	133.3	174.5	-66.9	0	0	0	0	110.7	V99 H103 R117 L128 S129	V99-S138 WeakPolarHBondContact CG2-OG 3.49Å; H103-S138 PolarHBondContact NE2-OG 3.18Å; R117-S138 PolarHBondContact NH2-OG 3.38Å; L128-S138 CarbonylContact O-C 3.5Å; L128-S138 VanDerWaalsContact O-CA 3.3Å; L128-S138 WeakPolarHBondContact O-CA 3.19Å; S129-S138 PolarHBondContact OG-OG 3.47Å
139	V	95.8	Very high	95.3	Very high	35 Å²	35	65.7 Å²	65.7	21%	0.212	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	129.1	179	-174.7	0	0	0	0	108.5	T127 L128 Y130 L150	T127-V139 WeakPolarHBondContact CG2-O 3.41Å; L128-V139 PolarHBondContact N-O 2.99Å; L128-V139 PolarHBondContact O-N 2.95Å; Y130-V139 HydrophobicContact CE1-CG2 3.95Å; V139-L150 HydrophobicContact CG1-CB 3.99Å; V139-L150 HydrophobicContact CG1-CD2 4.12Å; V139-L150 HydrophobicContact CG1-CG 4.44Å
140	R	96.4	Very high	95.1	Very high	99 Å²	99	66.4 Å²	66.4	37%	0.374	32%	0.315	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	148	178.3	-62	173.6	-59.1	-151.9	-3	110.4	Q121 V124 A151	Q121-R140 VanDerWaalsContact OE1-CD 3.27Å; V124-R140 HydrophobicContact CG1-CB 4.14Å; V124-R140 HydrophobicContact CG1-CG 4.46Å; R140-A151 HydrophobicContact CB-CB 3.89Å; R140-A151 PolarHBondContact O-N 2.91Å
141	I	97	Very high	94.9	Very high	4 Å²	4	65.7 Å²	65.7	2%	0.021	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.3	106.7	172	-53.4	178.3	0	0	0	107	I116 F126 L128 F148 S149 L150 L160 L163	I116-I141 HydrophobicContact CD1-CD1 3.97Å; F126-I141 HydrophobicContact CB-CB 4.32Å; F126-I141 HydrophobicContact CB-CD1 4.12Å; F126-I141 PolarHBondContact O-N 3.18Å; L128-I141 HydrophobicContact CB-CD1 4.17Å; L128-I141 HydrophobicContact CB-CG1 4.26Å; I141-F148 HydrophobicContact CG2-CB 4.19Å; I141-F148 HydrophobicContact CG2-CD1 3.99Å; I141-S149 CarbonylContact C-O 3.53Å; I141-S149 WeakPolarHBondContact CA-O 3.23Å; I141-L150 HydrophobicContact CG1-CD2 4.18Å; I141-L160 HydrophobicContact CD1-CD1 3.78Å; I141-L160 HydrophobicContact CD1-CG 4.13Å; I141-L160 HydrophobicContact CG2-CD1 4.45Å; I141-L163 HydrophobicContact CG2-CD1 4.24Å
142	D	95.4	Very high	94.6	Very high	37 Å²	37	68.5 Å²	68.5	20%	0.198	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.5	141.5	177.6	-65.4	-20.1	0	0	0	109.3	F148 S149 A151	D142-F148 CarbonylContact O-C 3.44Å; D142-F148 VanDerWaalsContact O-CA 3.29Å; D142-F148 WeakPolarHBondContact O-CA 3.42Å; D142-S149 PolarHBondContact N-O 2.73Å; D142-S149 PolarHBondContact O-N 3.44Å; D142-A151 WeakPolarHBondContact OD2-CA 3.4Å
143	Y	94.3	Very high	94.3	Very high	40 Å²	40	69.3 Å²	69.3	16%	0.157	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.1	115.5	173.2	176.5	-97	0	0	0	109.5	D76 I79 I80 Q146 K147 F148	D76-Y143 WeakPolarHBondContact CA-OH 3.26Å; D76-Y143 HydrophobicContact CB-CE1 4.01Å; D76-Y143 WeakPolarHBondContact OD1-CE1 3.3Å; D76-Y143 PolarHBondContact OD1-OH 3.3Å; I79-Y143 HydrophobicContact CG2-CE2 3.81Å; I80-Y143 HydrophobicContact CD1-CD1 4.05Å; I80-Y143 HydrophobicContact CD1-CD2 3.66Å; I80-Y143 HydrophobicContact CD1-CE1 4.31Å; I80-Y143 HydrophobicContact CD1-CE2 3.92Å; I80-Y143 HydrophobicContact CD1-CG 3.72Å; I80-Y143 HydrophobicContact CG1-CD1 4.23Å; I80-Y143 HydrophobicContact CG1-CD2 4.44Å; I80-Y143 HydrophobicContact CG1-CE1 4.11Å; I80-Y143 HydrophobicContact CG1-CE2 4.31Å; I80-Y143 HydrophobicContact CG1-CG 4.38Å; Y143-Q146 WeakPolarHBondContact OH-CA 3.4Å; Y143-K147 WeakPolarHBondContact CA-O 3.17Å; Y143-F148 AromaticContact CD2-CD1 3.99Å; Y143-F148 HydrophobicContact CD2-CD1 3.99Å; Y143-F148 HydrophobicContact CD2-CD2 4.25Å; Y143-F148 AromaticContact CD2-CE1 3.69Å; Y143-F148 HydrophobicContact CD2-CE1 3.69Å; Y143-F148 AromaticContact CD2-CE2 3.96Å; Y143-F148 HydrophobicContact CD2-CE2 3.96Å; Y143-F148 HydrophobicContact CD2-CG 4.28Å; Y143-F148 AromaticContact CD2-CZ 3.68Å; Y143-F148 HydrophobicContact CD2-CZ 3.68Å; Y143-F148 HydrophobicContact CE2-CE1 4.42Å; Y143-F148 HydrophobicContact CE2-CE2 4.03Å; Y143-F148 AromaticContact CE2-CZ 3.96Å; Y143-F148 HydrophobicContact CE2-CZ 3.96Å; Y143-F148 HydrophobicContact CG-CE1 4.45Å
144	K	92.3	Very high	94.1	Very high	153 Å²	153	69.6 Å²	69.6	67%	0.665	36%	0.362	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.4	140.3	179.9	-65.8	-176.3	-178.5	175.4	0	109.6	Q146 K147	K144-Q146 VanDerWaalsContact C-N 3.26Å; K144-Q146 PolarHBondContact O-N 2.92Å; K144-K147 PolarHBondContact N-O 2.93Å; K144-K147 PolarHBondContact O-N 3.11Å
145	Q	91.9	Very high	94.1	Very high	182 Å²	182	65.7 Å²	65.7	85%	0.85	34%	0.342	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.1	47.5	177.5	-60.5	177.6	-14.8	0	0	112.4	K147	Q145-K147 PolarHBondContact O-N 3.29Å
146	Q	94.1	Very high	94.2	Very high	75 Å²	75	67.5 Å²	67.5	35%	0.35	35%	0.352	S	S	.	.	T	Hydrogen-bonded Turn	trans	60.6	24.4	179.1	-55.5	175.3	8.8	0	0	115.1	E75 D76 I79 Y143 K144	E75-Q146 VanDerWaalsContact CD-NE2 3.29Å; E75-Q146 PolarHBondContact OE2-NE2 3.45Å; D76-Q146 WeakPolarHBondContact OD1-CG 3.18Å; I79-Q146 HydrophobicContact CD1-CB 3.74Å; I79-Q146 HydrophobicContact CD1-CG 3.77Å; Y143-Q146 WeakPolarHBondContact OH-CA 3.4Å; K144-Q146 VanDerWaalsContact C-N 3.26Å; K144-Q146 PolarHBondContact O-N 2.92Å
147	K	96.1	Very high	94.2	Very high	101 Å²	101	67.2 Å²	67.2	44%	0.439	35%	0.348	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.4	152.5	178.8	-62.8	-179.7	-175.5	174.6	0	111.7	Y143 K144 Q145 S156 F157	Y143-K147 WeakPolarHBondContact CA-O 3.17Å; K144-K147 PolarHBondContact N-O 2.93Å; K144-K147 PolarHBondContact O-N 3.11Å; Q145-K147 PolarHBondContact O-N 3.29Å; K147-S156 WeakPolarHBondContact CD-OG 3.35Å; K147-F157 CarbonylContact C-O 3.59Å; K147-F157 VanDerWaalsContact CA-O 3.23Å; K147-F157 WeakPolarHBondContact CA-O 3.37Å; K147-F157 WeakPolarHBondContact CB-O 3.4Å
148	F	97	Very high	94.2	Very high	2 Å²	2	69.4 Å²	69.4	1%	0.009	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.5	137	178	-62	-92.8	0	0	0	110.8	I79 I80 T83 I141 D142 Y143 S156 F157 L160 L163	I79-F148 HydrophobicContact CG2-CE2 3.85Å; I79-F148 HydrophobicContact CG2-CZ 3.98Å; I80-F148 HydrophobicContact CD1-CE1 3.72Å; I80-F148 HydrophobicContact CD1-CZ 3.74Å; T83-F148 HydrophobicContact CG2-CE1 4.31Å; T83-F148 HydrophobicContact CG2-CZ 4.1Å; T83-F148 WeakPolarHBondContact OG1-CZ 3.28Å; I141-F148 HydrophobicContact CG2-CB 4.19Å; I141-F148 HydrophobicContact CG2-CD1 3.99Å; D142-F148 CarbonylContact O-C 3.44Å; D142-F148 VanDerWaalsContact O-CA 3.29Å; D142-F148 WeakPolarHBondContact O-CA 3.42Å; Y143-F148 AromaticContact CD2-CD1 3.99Å; Y143-F148 HydrophobicContact CD2-CD1 3.99Å; Y143-F148 HydrophobicContact CD2-CD2 4.25Å; Y143-F148 AromaticContact CD2-CE1 3.69Å; Y143-F148 HydrophobicContact CD2-CE1 3.69Å; Y143-F148 AromaticContact CD2-CE2 3.96Å; Y143-F148 HydrophobicContact CD2-CE2 3.96Å; Y143-F148 HydrophobicContact CD2-CG 4.28Å; Y143-F148 AromaticContact CD2-CZ 3.68Å; Y143-F148 HydrophobicContact CD2-CZ 3.68Å; Y143-F148 HydrophobicContact CE2-CE1 4.42Å; Y143-F148 HydrophobicContact CE2-CE2 4.03Å; Y143-F148 AromaticContact CE2-CZ 3.96Å; Y143-F148 HydrophobicContact CE2-CZ 3.96Å; Y143-F148 HydrophobicContact CG-CE1 4.45Å; F148-S156 CarbonylContact O-C 3.47Å; F148-S156 VanDerWaalsContact O-CA 3.26Å; F148-S156 WeakPolarHBondContact O-CA 3.16Å; F148-F157 PolarHBondContact N-O 3.44Å; F148-F157 PolarHBondContact O-N 3.36Å; F148-L160 HydrophobicContact CD1-CB 4.07Å; F148-L160 HydrophobicContact CE1-CB 4.21Å; F148-L160 HydrophobicContact CG-CB 4.21Å; F148-L160 HydrophobicContact CZ-CB 4.48Å; F148-L163 HydrophobicContact CB-CD1 4.13Å
149	S	96.6	Very high	94.1	Very high	20 Å²	20	69.1 Å²	69.1	14%	0.14	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	160.5	172.7	58.1	0	0	0	0	111.1	I141 D142 R155	I141-S149 CarbonylContact C-O 3.53Å; I141-S149 WeakPolarHBondContact CA-O 3.23Å; D142-S149 PolarHBondContact N-O 2.73Å; D142-S149 PolarHBondContact O-N 3.44Å; S149-R155 VanDerWaalsContact CB-O 3.28Å; S149-R155 WeakPolarHBondContact CB-O 3.43Å
150	L	95.1	Very high	94.2	Very high	16 Å²	16	67.5 Å²	67.5	8%	0.084	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.4	136.7	167.4	-68.2	-175.4	0	0	0	109	L128 V139 I141 G152 N153 L163 Y167	L128-L150 HydrophobicContact CD2-CD2 4.03Å; V139-L150 HydrophobicContact CG1-CB 3.99Å; V139-L150 HydrophobicContact CG1-CD2 4.12Å; V139-L150 HydrophobicContact CG1-CG 4.44Å; I141-L150 HydrophobicContact CG1-CD2 4.18Å; L150-G152 PolarHBondContact O-N 2.65Å; L150-N153 HydrophobicContact CB-CB 4.24Å; L150-N153 VanDerWaalsContact O-CB 3.28Å; L150-N153 WeakPolarHBondContact O-CB 3.21Å; L150-N153 PolarHBondContact O-N 2.9Å; L150-L163 HydrophobicContact CD2-CD1 4.37Å; L150-L163 HydrophobicContact CD2-CD2 3.97Å; L150-L163 HydrophobicContact CG-CD1 4.35Å; L150-L163 HydrophobicContact CG-CD2 4.19Å; L150-Y167 HydrophobicContact CD1-CD1 4.39Å; L150-Y167 HydrophobicContact CD1-CD2 3.88Å; L150-Y167 HydrophobicContact CD1-CE1 3.97Å; L150-Y167 HydrophobicContact CD1-CE2 3.43Å; L150-Y167 VanDerWaalsContact CD1-CE2 3.43Å; L150-Y167 HydrophobicContact CD1-CG 4.36Å; L150-Y167 VanDerWaalsContact CD1-CZ 3.48Å; L150-Y167 HydrophobicContact CG-CD2 4.42Å; L150-Y167 HydrophobicContact CG-CE2 3.74Å
151	A	93.1	Very high	94.2	Very high	23 Å²	23	62.8 Å²	62.8	19%	0.19	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-55.5	130.6	179.2	0	0	0	0	0	111.7	R140 D142 N153	R140-A151 HydrophobicContact CB-CB 3.89Å; R140-A151 PolarHBondContact O-N 2.91Å; D142-A151 WeakPolarHBondContact OD2-CA 3.4Å; A151-N153 VanDerWaalsContact C-N 3.31Å
152	G	88.8	Confident	94	Very high	87 Å²	87	63.7 Å²	63.7	90%	0.897	34%	0.34	S	S	*	.	T	Hydrogen-bonded Turn	trans	80.3	6.1	-175.1	0	0	0	0	0	114.8	L150	L150-G152 PolarHBondContact O-N 2.65Å
153	N	88.1	Confident	94	Very high	67 Å²	67	62 Å²	62	36%	0.358	33%	0.331	S	S	.	.			trans	-113	142.4	174.2	-158	-50.5	0	0	0	111.4	L150 A151 R155 Y167	L150-N153 HydrophobicContact CB-CB 4.24Å; L150-N153 VanDerWaalsContact O-CB 3.28Å; L150-N153 WeakPolarHBondContact O-CB 3.21Å; L150-N153 PolarHBondContact O-N 2.9Å; A151-N153 VanDerWaalsContact C-N 3.31Å; N153-R155 PolarHBondContact OD1-N 2.88Å; N153-Y167 PolarHBondContact ND2-OH 3.07Å
154	Q	88.1	Confident	94.1	Very high	191 Å²	191	60 Å²	60	89%	0.893	32%	0.324	S	S	*	.			trans	-81.4	-17.7	179.4	-59.3	-65.4	72.7	0	0	113.1	S156	Q154-S156 PolarHBondContact O-N 2.94Å
155	R	93.4	Very high	94.1	Very high	122 Å²	122	55 Å²	55	46%	0.46	30%	0.302	S	S	.	.			trans	-81.6	121.7	-177	-172	176	-76.6	-104.4	-1.1	111	S149 N153 F157 Y166	S149-R155 VanDerWaalsContact CB-O 3.28Å; S149-R155 WeakPolarHBondContact CB-O 3.43Å; N153-R155 PolarHBondContact OD1-N 2.88Å; R155-F157 HydrophobicContact CB-CE2 4.37Å; R155-F157 HydrophobicContact CB-CZ 4.5Å; R155-F157 HydrophobicContact CG-CE1 4.22Å; R155-F157 HydrophobicContact CG-CE2 3.73Å; R155-F157 HydrophobicContact CG-CZ 3.51Å; R155-Y166 VanDerWaalsContact CD-CE1 3.45Å; R155-Y166 VanDerWaalsContact CD-CZ 3.43Å; R155-Y166 VanDerWaalsContact CZ-OH 3.25Å; R155-Y166 PolarHBondContact NE-OH 2.95Å; R155-Y166 VanDerWaalsContact NE-OH 3.16Å
156	S	95.8	Very high	94.1	Very high	55 Å²	55	49.6 Å²	49.6	39%	0.385	28%	0.275	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	152.3	178.4	67.4	0	0	0	0	112.1	K147 F148 Q154	K147-S156 WeakPolarHBondContact CD-OG 3.35Å; F148-S156 CarbonylContact O-C 3.47Å; F148-S156 VanDerWaalsContact O-CA 3.26Å; F148-S156 WeakPolarHBondContact O-CA 3.16Å; Q154-S156 PolarHBondContact O-N 2.94Å
157	F	96.6	Very high	94	Very high	18 Å²	18	47.3 Å²	47.3	8%	0.079	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.2	149.9	-175.6	-58.5	-91.1	0	0	0	111.1	K147 F148 R155 T159 A162 L163 Y166 Y167	K147-F157 CarbonylContact C-O 3.59Å; K147-F157 VanDerWaalsContact CA-O 3.23Å; K147-F157 WeakPolarHBondContact CA-O 3.37Å; K147-F157 WeakPolarHBondContact CB-O 3.4Å; F148-F157 PolarHBondContact N-O 3.44Å; F148-F157 PolarHBondContact O-N 3.36Å; R155-F157 HydrophobicContact CB-CE2 4.37Å; R155-F157 HydrophobicContact CB-CZ 4.5Å; R155-F157 HydrophobicContact CG-CE1 4.22Å; R155-F157 HydrophobicContact CG-CE2 3.73Å; R155-F157 HydrophobicContact CG-CZ 3.51Å; F157-T159 VanDerWaalsContact C-N 3.27Å; F157-T159 PolarHBondContact O-N 3.45Å; F157-A162 HydrophobicContact CB-CB 4.3Å; F157-A162 HydrophobicContact CD1-CB 4.5Å; F157-L163 HydrophobicContact CB-CB 3.97Å; F157-L163 HydrophobicContact CD2-CB 3.42Å; F157-L163 VanDerWaalsContact CD2-CB 3.42Å; F157-L163 HydrophobicContact CD2-CD1 3.91Å; F157-L163 HydrophobicContact CD2-CG 3.64Å; F157-L163 HydrophobicContact CE2-CB 4.01Å; F157-L163 HydrophobicContact CE2-CD1 4.36Å; F157-L163 HydrophobicContact CE2-CG 3.86Å; F157-L163 HydrophobicContact CG-CB 3.73Å; F157-L163 HydrophobicContact CG-CG 4.45Å; F157-Y166 HydrophobicContact CE1-CD1 4.03Å; F157-Y166 AromaticContact CE1-CD2 3.95Å; F157-Y166 HydrophobicContact CE1-CD2 3.95Å; F157-Y166 AromaticContact CE1-CG 3.5Å; F157-Y166 HydrophobicContact CE1-CG 3.5Å; F157-Y166 HydrophobicContact CE2-CD1 4.42Å; F157-Y166 AromaticContact CZ-CD1 3.42Å; F157-Y166 HydrophobicContact CZ-CD1 3.42Å; F157-Y166 VanDerWaalsContact CZ-CD1 3.42Å; F157-Y166 HydrophobicContact CZ-CD2 4.14Å; F157-Y166 HydrophobicContact CZ-CE1 4.13Å; F157-Y166 AromaticContact CZ-CG 3.41Å; F157-Y166 HydrophobicContact CZ-CG 3.41Å; F157-Y166 VanDerWaalsContact CZ-CG 3.41Å; F157-Y167 HydrophobicContact CE2-CE2 4.1Å; F157-Y167 HydrophobicContact CZ-CE2 4.47Å
158	P	95.3	Very high	93.8	Very high	92 Å²	92	44.3 Å²	44.3	60%	0.597	25%	0.251	S	S	*	.	S	Bend	trans	-66.6	-29.5	179.2	27.1	-34.7	0	0	0	112.8
159	T	96	Very high	93.3	Very high	33 Å²	33	48.3 Å²	48.3	20%	0.202	28%	0.279	C	S	.	.	S	Bend	trans	-133.3	154.2	177.6	75.8	0	0	0	0	111.2	F157 F161 A162 L163 Y220	F157-T159 VanDerWaalsContact C-N 3.27Å; F157-T159 PolarHBondContact O-N 3.45Å; T159-F161 PolarHBondContact O-N 3.06Å; T159-A162 PolarHBondContact O-N 3.47Å; T159-A162 WeakPolarHBondContact OG1-CB 3.28Å; T159-A162 PolarHBondContact OG1-N 2.92Å; T159-L163 PolarHBondContact O-N 3.47Å; T159-L163 VanDerWaalsContact O-N 3.13Å; T159-Y220 WeakPolarHBondContact CG2-OH 3.47Å; T159-Y220 PolarHBondContact OG1-OH 2.7Å
160	L	96.7	Very high	92.8	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-59	-37.5	174	-177.3	153.1	0	0	0	111.5	T83 L87 I116 F126 I141 F148 L163 L164	T83-L160 HydrophobicContact CG2-CB 3.74Å; T83-L160 HydrophobicContact CG2-CD1 3.99Å; T83-L160 HydrophobicContact CG2-CG 4.42Å; L87-L160 HydrophobicContact CD1-CD1 4.06Å; L87-L160 HydrophobicContact CD2-CD2 3.95Å; I116-L160 HydrophobicContact CG1-CD2 4.48Å; F126-L160 HydrophobicContact CB-CD1 4.18Å; F126-L160 HydrophobicContact CD2-CD1 3.7Å; F126-L160 HydrophobicContact CE2-CD1 4.35Å; F126-L160 HydrophobicContact CG-CD1 4.06Å; I141-L160 HydrophobicContact CD1-CD1 3.78Å; I141-L160 HydrophobicContact CD1-CG 4.13Å; I141-L160 HydrophobicContact CG2-CD1 4.45Å; F148-L160 HydrophobicContact CD1-CB 4.07Å; F148-L160 HydrophobicContact CE1-CB 4.21Å; F148-L160 HydrophobicContact CG-CB 4.21Å; F148-L160 HydrophobicContact CZ-CB 4.48Å; L160-L163 VanDerWaalsContact O-CB 3.3Å; L160-L163 WeakPolarHBondContact O-CB 3.42Å; L160-L163 PolarHBondContact O-N 3.14Å; L160-L164 HydrophobicContact CD2-CD1 3.63Å; L160-L164 HydrophobicContact CD2-CG 4.11Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.33Å
161	F	95.7	Very high	91.5	Very high	1 Å²	1	53.9 Å²	53.9	0%	0.004	32%	0.315	C	S	.	.	H	α-helix	trans	-68.7	-39.3	178.7	-57.6	-79.9	0	0	0	112.4	K86 L87 F92 T159 L163 L164 E165 F218 Y220 L222	K86-F161 HydrophobicContact CB-CE2 3.43Å; K86-F161 VanDerWaalsContact CB-CE2 3.43Å; K86-F161 HydrophobicContact CB-CZ 3.45Å; K86-F161 VanDerWaalsContact CB-CZ 3.45Å; K86-F161 HydrophobicContact CD-CE2 4.1Å; K86-F161 HydrophobicContact CG-CE2 4.39Å; L87-F161 HydrophobicContact CD2-CE1 4.08Å; L87-F161 HydrophobicContact CD2-CZ 4.04Å; L87-F161 HydrophobicContact CG-CE1 4.47Å; L87-F161 HydrophobicContact CG-CZ 3.93Å; F92-F161 HydrophobicContact CE2-CE1 4.48Å; F92-F161 HydrophobicContact CZ-CD1 4.24Å; F92-F161 AromaticContact CZ-CE1 4Å; F92-F161 HydrophobicContact CZ-CE1 4Å; T159-F161 PolarHBondContact O-N 3.06Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 2.96Å; F161-L164 PolarHBondContact O-N 3.22Å; F161-L164 VanDerWaalsContact O-N 3.08Å; F161-E165 WeakPolarHBondContact O-CG 3.45Å; F161-E165 PolarHBondContact O-N 3.4Å; F161-F218 AromaticContact CD1-CE2 3.84Å; F161-F218 HydrophobicContact CD1-CE2 3.84Å; F161-F218 AromaticContact CD1-CZ 3.67Å; F161-F218 HydrophobicContact CD1-CZ 3.67Å; F161-F218 AromaticContact CE1-CE2 3.48Å; F161-F218 HydrophobicContact CE1-CE2 3.48Å; F161-F218 VanDerWaalsContact CE1-CE2 3.48Å; F161-F218 AromaticContact CE1-CZ 3.63Å; F161-F218 HydrophobicContact CE1-CZ 3.63Å; F161-F218 HydrophobicContact CE2-CE2 4.4Å; F161-F218 HydrophobicContact CG-CE2 4.44Å; F161-F218 HydrophobicContact CG-CZ 4.46Å; F161-F218 AromaticContact CZ-CE2 3.81Å; F161-F218 HydrophobicContact CZ-CE2 3.81Å; F161-F218 HydrophobicContact CZ-CZ 4.41Å; F161-Y220 HydrophobicContact CB-CD1 3.56Å; F161-Y220 HydrophobicContact CB-CD2 3.48Å; F161-Y220 VanDerWaalsContact CB-CD2 3.48Å; F161-Y220 HydrophobicContact CB-CE1 3.56Å; F161-Y220 HydrophobicContact CB-CE2 3.45Å; F161-Y220 VanDerWaalsContact CB-CE2 3.45Å; F161-Y220 HydrophobicContact CB-CG 3.54Å; F161-Y220 HydrophobicContact CD1-CD2 4.15Å; F161-Y220 HydrophobicContact CD1-CE2 4.37Å; F161-Y220 HydrophobicContact CD2-CD2 4.06Å; F161-Y220 AromaticContact CD2-CE2 3.46Å; F161-Y220 HydrophobicContact CD2-CE2 3.46Å; F161-Y220 VanDerWaalsContact CD2-CE2 3.46Å; F161-Y220 AromaticContact CD2-CZ 3.87Å; F161-Y220 HydrophobicContact CE2-CE2 4.35Å; F161-Y220 AromaticContact CG-CD2 3.62Å; F161-Y220 HydrophobicContact CG-CD2 3.62Å; F161-Y220 HydrophobicContact CG-CE1 4.48Å; F161-Y220 AromaticContact CG-CE2 3.49Å; F161-Y220 HydrophobicContact CG-CE2 3.49Å; F161-Y220 VanDerWaalsContact CG-CE2 3.49Å; F161-Y220 HydrophobicContact CG-CG 4.18Å; F161-Y220 AromaticContact CG-CZ 3.97Å; F161-L222 HydrophobicContact CB-CD1 3.86Å; F161-L222 HydrophobicContact CD1-CD1 3.85Å; F161-L222 HydrophobicContact CG-CD1 4.36Å
162	A	94.6	Very high	90.5	Very high	23 Å²	23	62 Å²	62	19%	0.19	35%	0.346	C	S	.	.	H	α-helix	trans	-62.4	-36.5	173.6	0	0	0	0	0	111.8	F157 T159 Y166	F157-A162 HydrophobicContact CB-CB 4.3Å; F157-A162 HydrophobicContact CD1-CB 4.5Å; T159-A162 PolarHBondContact O-N 3.47Å; T159-A162 WeakPolarHBondContact OG1-CB 3.28Å; T159-A162 PolarHBondContact OG1-N 2.92Å; A162-Y166 WeakPolarHBondContact O-CB 3.25Å; A162-Y166 PolarHBondContact O-N 2.02Å; A162-Y166 VanDerWaalsContact O-N 3.08Å
163	L	95.4	Very high	89.5	Confident	0 Å²	0	65.4 Å²	65.4	0%	0	33%	0.332	C	S	.	.	H	α-helix	trans	-58.3	-50.1	170.3	178.4	159.5	0	0	0	110.7	I141 F148 L150 F157 T159 L160 F161 Y166 Y167	I141-L163 HydrophobicContact CG2-CD1 4.24Å; F148-L163 HydrophobicContact CB-CD1 4.13Å; L150-L163 HydrophobicContact CD2-CD1 4.37Å; L150-L163 HydrophobicContact CD2-CD2 3.97Å; L150-L163 HydrophobicContact CG-CD1 4.35Å; L150-L163 HydrophobicContact CG-CD2 4.19Å; F157-L163 HydrophobicContact CB-CB 3.97Å; F157-L163 HydrophobicContact CD2-CB 3.42Å; F157-L163 VanDerWaalsContact CD2-CB 3.42Å; F157-L163 HydrophobicContact CD2-CD1 3.91Å; F157-L163 HydrophobicContact CD2-CG 3.64Å; F157-L163 HydrophobicContact CE2-CB 4.01Å; F157-L163 HydrophobicContact CE2-CD1 4.36Å; F157-L163 HydrophobicContact CE2-CG 3.86Å; F157-L163 HydrophobicContact CG-CB 3.73Å; F157-L163 HydrophobicContact CG-CG 4.45Å; T159-L163 PolarHBondContact O-N 3.47Å; T159-L163 VanDerWaalsContact O-N 3.13Å; L160-L163 VanDerWaalsContact O-CB 3.3Å; L160-L163 WeakPolarHBondContact O-CB 3.42Å; L160-L163 PolarHBondContact O-N 3.14Å; F161-L163 VanDerWaalsContact C-N 3.27Å; F161-L163 PolarHBondContact O-N 2.96Å; L163-Y166 WeakPolarHBondContact O-CB 3.38Å; L163-Y166 PolarHBondContact O-N 3.43Å; L163-Y167 HydrophobicContact CD2-CD2 3.81Å; L163-Y167 HydrophobicContact CD2-CE2 4.01Å; L163-Y167 HydrophobicContact CG-CD2 4.11Å; L163-Y167 HydrophobicContact CG-CE2 3.96Å; L163-Y167 WeakPolarHBondContact O-CD2 3.38Å; L163-Y167 PolarHBondContact O-N 2.79Å
164	L	95	Very high	89	Confident	0 Å²	0	63.6 Å²	63.6	0%	0	32%	0.324	C	S	.	.	H	α-helix	trans	-62.8	-45.7	-179.3	-64.9	176.3	0	0	0	112.3	F92 Y114 I116 L128 L160 F161 Y166 Y167 M168 L175 L222	F92-L164 HydrophobicContact CE2-CD1 3.85Å; F92-L164 HydrophobicContact CZ-CD1 4.18Å; Y114-L164 HydrophobicContact CE2-CD1 4.06Å; Y114-L164 HydrophobicContact CE2-CD2 4.25Å; I116-L164 HydrophobicContact CD1-CD1 4.16Å; I116-L164 HydrophobicContact CD1-CD2 4.06Å; I116-L164 HydrophobicContact CG1-CD1 4.27Å; L128-L164 HydrophobicContact CD1-CD2 4.01Å; L128-L164 HydrophobicContact CD2-CD2 4.32Å; L160-L164 HydrophobicContact CD2-CD1 3.63Å; L160-L164 HydrophobicContact CD2-CG 4.11Å; L160-L164 WeakPolarHBondContact O-CG 3.47Å; L160-L164 PolarHBondContact O-N 3.33Å; F161-L164 PolarHBondContact O-N 3.22Å; F161-L164 VanDerWaalsContact O-N 3.08Å; L164-Y166 VanDerWaalsContact C-N 3.26Å; L164-Y166 PolarHBondContact O-N 3.03Å; L164-Y167 PolarHBondContact O-N 3.34Å; L164-Y167 VanDerWaalsContact O-N 3.16Å; L164-M168 WeakPolarHBondContact O-CB 3.5Å; L164-M168 WeakPolarHBondContact O-CG 3.48Å; L164-M168 PolarHBondContact O-N 2.94Å; L164-L175 HydrophobicContact CD2-CD1 4.03Å; L164-L222 HydrophobicContact CB-CD1 4.07Å; L164-L222 HydrophobicContact CB-CD2 4.07Å; L164-L222 HydrophobicContact CD1-CD1 4.45Å
165	E	92.6	Very high	89.2	Confident	46 Å²	46	54.5 Å²	54.5	22%	0.215	28%	0.282	C	S	.	.	H	α-helix	trans	-58.5	-40.2	177.9	-74.5	-171.9	135.8	0	0	112.1	F161 M168 S169 Y220 K221 L222	F161-E165 WeakPolarHBondContact O-CG 3.45Å; F161-E165 PolarHBondContact O-N 3.4Å; E165-M168 PolarHBondContact O-N 3.24Å; E165-S169 WeakPolarHBondContact O-CB 3.38Å; E165-S169 PolarHBondContact O-N 3.3Å; E165-S169 PolarHBondContact O-OG 2.88Å; E165-Y220 WeakPolarHBondContact OE1-CA 3.45Å; E165-K221 WeakPolarHBondContact OE1-CB 3.44Å; E165-K221 WeakPolarHBondContact OE1-CG 3.46Å; E165-K221 PolarHBondContact OE1-N 3.21Å; E165-L222 HydrophobicContact CB-CD2 4.29Å; E165-L222 HydrophobicContact CG-CD1 3.98Å; E165-L222 HydrophobicContact CG-CD2 3.53Å; E165-L222 HydrophobicContact CG-CG 3.58Å
166	Y	92.5	Very high	89	Confident	70 Å²	70	54 Å²	54	28%	0.275	28%	0.283	S	S	.	.	H	α-helix	trans	-60.8	-50.3	175.8	177.1	-93.2	0	0	0	111.3	R155 F157 A162 L163 L164 M168 S169 T170	R155-Y166 VanDerWaalsContact CD-CE1 3.45Å; R155-Y166 VanDerWaalsContact CD-CZ 3.43Å; R155-Y166 VanDerWaalsContact CZ-OH 3.25Å; R155-Y166 PolarHBondContact NE-OH 2.95Å; R155-Y166 VanDerWaalsContact NE-OH 3.16Å; F157-Y166 HydrophobicContact CE1-CD1 4.03Å; F157-Y166 AromaticContact CE1-CD2 3.95Å; F157-Y166 HydrophobicContact CE1-CD2 3.95Å; F157-Y166 AromaticContact CE1-CG 3.5Å; F157-Y166 HydrophobicContact CE1-CG 3.5Å; F157-Y166 HydrophobicContact CE2-CD1 4.42Å; F157-Y166 AromaticContact CZ-CD1 3.42Å; F157-Y166 HydrophobicContact CZ-CD1 3.42Å; F157-Y166 VanDerWaalsContact CZ-CD1 3.42Å; F157-Y166 HydrophobicContact CZ-CD2 4.14Å; F157-Y166 HydrophobicContact CZ-CE1 4.13Å; F157-Y166 AromaticContact CZ-CG 3.41Å; F157-Y166 HydrophobicContact CZ-CG 3.41Å; F157-Y166 VanDerWaalsContact CZ-CG 3.41Å; A162-Y166 WeakPolarHBondContact O-CB 3.25Å; A162-Y166 PolarHBondContact O-N 2.02Å; A162-Y166 VanDerWaalsContact O-N 3.08Å; L163-Y166 WeakPolarHBondContact O-CB 3.38Å; L163-Y166 PolarHBondContact O-N 3.43Å; L164-Y166 VanDerWaalsContact C-N 3.26Å; L164-Y166 PolarHBondContact O-N 3.03Å; Y166-M168 VanDerWaalsContact C-N 3.26Å; Y166-M168 PolarHBondContact O-N 3.39Å; Y166-S169 PolarHBondContact O-N 3.08Å; Y166-S169 PolarHBondContact O-OG 2.88Å; Y166-S169 VanDerWaalsContact O-OG 3.07Å; Y166-T170 WeakPolarHBondContact CE1-OG1 3.14Å; Y166-T170 WeakPolarHBondContact O-CB 3.47Å; Y166-T170 PolarHBondContact O-N 3.07Å; Y166-T170 PolarHBondContact O-OG1 3.28Å
167	Y	91.6	Very high	88.9	Confident	27 Å²	27	54.8 Å²	54.8	11%	0.106	29%	0.286	C	S	.	.	H	α-helix	trans	-70.3	-22.4	-179.6	-74.6	-72.7	0	0	0	113.5	L150 N153 F157 L163 L164	L150-Y167 HydrophobicContact CD1-CD1 4.39Å; L150-Y167 HydrophobicContact CD1-CD2 3.88Å; L150-Y167 HydrophobicContact CD1-CE1 3.97Å; L150-Y167 HydrophobicContact CD1-CE2 3.43Å; L150-Y167 VanDerWaalsContact CD1-CE2 3.43Å; L150-Y167 HydrophobicContact CD1-CG 4.36Å; L150-Y167 VanDerWaalsContact CD1-CZ 3.48Å; L150-Y167 HydrophobicContact CG-CD2 4.42Å; L150-Y167 HydrophobicContact CG-CE2 3.74Å; N153-Y167 PolarHBondContact ND2-OH 3.07Å; F157-Y167 HydrophobicContact CE2-CE2 4.1Å; F157-Y167 HydrophobicContact CZ-CE2 4.47Å; L163-Y167 HydrophobicContact CD2-CD2 3.81Å; L163-Y167 HydrophobicContact CD2-CE2 4.01Å; L163-Y167 HydrophobicContact CG-CD2 4.11Å; L163-Y167 HydrophobicContact CG-CE2 3.96Å; L163-Y167 WeakPolarHBondContact O-CD2 3.38Å; L163-Y167 PolarHBondContact O-N 2.79Å; L164-Y167 PolarHBondContact O-N 3.34Å; L164-Y167 VanDerWaalsContact O-N 3.16Å
168	M	91.2	Very high	88.8	Confident	38 Å²	38	54.5 Å²	54.5	19%	0.187	29%	0.286	C	S	.	.	H	α-helix	trans	-77.1	-32.5	171.9	-72.9	175.7	61.4	0	0	113.6	Y114 L164 E165 Y166 L175 K176 L222	Y114-M168 HydrophobicContact CE1-CE 4.27Å; Y114-M168 HydrophobicContact CE1-CG 4.3Å; Y114-M168 HydrophobicContact CE1-SD 3.54Å; Y114-M168 VanDerWaalsContact CE1-SD 3.54Å; Y114-M168 PolarHBondContact OH-SD 3.34Å; L164-M168 WeakPolarHBondContact O-CB 3.5Å; L164-M168 WeakPolarHBondContact O-CG 3.48Å; L164-M168 PolarHBondContact O-N 2.94Å; E165-M168 PolarHBondContact O-N 3.24Å; Y166-M168 VanDerWaalsContact C-N 3.26Å; Y166-M168 PolarHBondContact O-N 3.39Å; M168-L175 WeakPolarHBondContact CA-O 3.32Å; M168-L175 HydrophobicContact CG-CB 3.55Å; M168-K176 WeakPolarHBondContact CE-O 3.5Å; M168-L222 HydrophobicContact CE-CD2 3.93Å; M168-L222 HydrophobicContact SD-CD2 3.14Å; M168-L222 WeakPolarHBondContact SD-CD2 3.15Å
169	S	87.6	Confident	88.9	Confident	85 Å²	85	53.8 Å²	53.8	59%	0.594	27%	0.271	S	S	*	.	H	α-helix	trans	-88.1	-19.8	179.4	55.6	0	0	0	0	113.8	E165 Y166	E165-S169 WeakPolarHBondContact O-CB 3.38Å; E165-S169 PolarHBondContact O-N 3.3Å; E165-S169 PolarHBondContact O-OG 2.88Å; Y166-S169 PolarHBondContact O-N 3.08Å; Y166-S169 PolarHBondContact O-OG 2.88Å; Y166-S169 VanDerWaalsContact O-OG 3.07Å
170	T	86.2	Confident	88.8	Confident	27 Å²	27	54.8 Å²	54.8	17%	0.166	27%	0.272	C	S	.	.	S	Bend	trans	-65.7	143.6	-178.5	-61.7	0	0	0	0	111.6	Y166 K172 R173	Y166-T170 WeakPolarHBondContact CE1-OG1 3.14Å; Y166-T170 WeakPolarHBondContact O-CB 3.47Å; Y166-T170 PolarHBondContact O-N 3.07Å; Y166-T170 PolarHBondContact O-OG1 3.28Å; T170-K172 PolarHBondContact O-N 3.33Å; T170-R173 WeakPolarHBondContact O-CA 3.43Å; T170-R173 WeakPolarHBondContact O-CG 3.46Å; T170-R173 PolarHBondContact O-N 3.22Å
171	P	67.9	Low	88.7	Confident	127 Å²	127	59.1 Å²	59.1	83%	0.825	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-57.8	-27.2	-176.1	-25.9	33.8	0	0	0	114.9	R173	P171-R173 PolarHBondContact O-N 3.36Å
172	K	70.8	Confident	88.5	Confident	192 Å²	192	64.1 Å²	64.1	84%	0.835	31%	0.309	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.3	-17.5	175.6	-68.7	-177.7	178.1	177.5	0	112.7	T170 S174	T170-K172 PolarHBondContact O-N 3.33Å; K172-S174 PolarHBondContact O-N 3.2Å
173	R	67.8	Low	88.3	Confident	160 Å²	160	71 Å²	71	60%	0.604	34%	0.338	S	S	*	.			trans	32.3	48.9	175.9	-65.8	-164.8	-179.2	-177.6	2.8	114.1	T170 P171 L175 K176	T170-R173 WeakPolarHBondContact O-CA 3.43Å; T170-R173 WeakPolarHBondContact O-CG 3.46Å; T170-R173 PolarHBondContact O-N 3.22Å; P171-R173 PolarHBondContact O-N 3.36Å; R173-L175 PolarHBondContact O-N 3.34Å; R173-K176 HydrophobicContact CB-CG 4.49Å
174	S	78.8	Confident	88.2	Confident	28 Å²	28	72.2 Å²	72.2	20%	0.196	35%	0.345	C	S	.	.			trans	-68.1	-26.4	175.3	50	0	0	0	0	111.3	G112 Y130 K172	G112-S174 WeakPolarHBondContact CA-O 3.28Å; Y130-S174 WeakPolarHBondContact CD2-O 3.39Å; K172-S174 PolarHBondContact O-N 3.2Å
175	L	91.1	Very high	88.1	Confident	1 Å²	1	75.7 Å²	75.7	1%	0.005	37%	0.367	C	S	.	.			trans	-112.6	135.5	172.5	-50.6	-177.1	0	0	0	109.2	Y114 L128 Y130 L164 M168 R173	Y114-L175 HydrophobicContact CD1-CB 4.02Å; Y114-L175 HydrophobicContact CD1-CD2 4.36Å; Y114-L175 HydrophobicContact CE1-CB 4.41Å; Y114-L175 HydrophobicContact CG-CD2 4.13Å; L128-L175 HydrophobicContact CD1-CD1 4.42Å; L128-L175 HydrophobicContact CD1-CD2 4.3Å; L128-L175 HydrophobicContact CD2-CD1 3.86Å; L128-L175 HydrophobicContact CD2-CD2 4.1Å; Y130-L175 VanDerWaalsContact CB-CD2 3.48Å; Y130-L175 HydrophobicContact CD1-CD2 3.97Å; Y130-L175 HydrophobicContact CD2-CD2 3.98Å; Y130-L175 HydrophobicContact CG-CD2 3.56Å; L164-L175 HydrophobicContact CD2-CD1 4.03Å; M168-L175 WeakPolarHBondContact CA-O 3.32Å; M168-L175 HydrophobicContact CG-CB 3.55Å; R173-L175 PolarHBondContact O-N 3.34Å
176	K	90.8	Very high	88.3	Confident	111 Å²	111	79.9 Å²	79.9	48%	0.483	39%	0.39	S	S	.	.			trans	-134.1	-48.2	179.9	-66	-172.7	-173.1	172.9	0	112.7	G112 M168 R173	G112-K176 PolarHBondContact O-N 2.95Å; M168-K176 WeakPolarHBondContact CE-O 3.5Å; R173-K176 HydrophobicContact CB-CG 4.49Å
177	V	92.3	Very high	88.3	Confident	72 Å²	72	82.9 Å²	82.9	44%	0.436	41%	0.406	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	130.9	-170.1	-149.1	0	0	0	0	110	G112 S113 Y114 Y179	G112-V177 PolarHBondContact O-N 3.39Å; S113-V177 CarbonylContact C-O 3.56Å; S113-V177 VanDerWaalsContact CA-O 3.22Å; S113-V177 WeakPolarHBondContact CA-O 3.28Å; Y114-V177 VanDerWaalsContact CD1-O 3.25Å; Y114-V177 WeakPolarHBondContact CD1-O 3.47Å; Y114-V177 PolarHBondContact N-O 3.37Å; V177-Y179 PolarHBondContact O-N 3.31Å
178	P	95.2	Very high	88.4	Confident	12 Å²	12	83.5 Å²	83.5	8%	0.078	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.9	131.1	175.7	-7.7	23.9	0	0	0	109.8	F92 Y114 R180	F92-P178 HydrophobicContact CB-CB 3.64Å; F92-P178 HydrophobicContact CD1-CB 3.44Å; F92-P178 VanDerWaalsContact CD1-CB 3.44Å; F92-P178 HydrophobicContact CD1-CG 4.12Å; F92-P178 HydrophobicContact CE1-CB 4.25Å; F92-P178 HydrophobicContact CG-CB 3.71Å; Y114-P178 HydrophobicContact CE1-CB 4.06Å; Y114-P178 HydrophobicContact CE1-CG 3.94Å; Y114-P178 HydrophobicContact CE2-CB 4.29Å; Y114-P178 CarbonylContact O-C 3.56Å; Y114-P178 WeakPolarHBondContact OH-CG 3.33Å; P178-R180 HydrophobicContact CB-CG 4.25Å; P178-R180 VanDerWaalsContact CG-NH1 3.32Å; P178-R180 PolarHBondContact O-N 3.44Å
179	Y	96.4	Very high	88.5	Confident	76 Å²	76	84.9 Å²	84.9	30%	0.298	42%	0.418	S	S	.	.			trans	-83.9	95.5	174.1	-169.5	-83.6	0	0	0	108.7	W94 M105 L106 A109 Y114 L115 V177	W94-Y179 AromaticContact CE2-CD1 3.95Å; W94-Y179 HydrophobicContact CH2-CE1 4.09Å; W94-Y179 AromaticContact CZ2-CD1 3.58Å; W94-Y179 HydrophobicContact CZ2-CD1 3.58Å; W94-Y179 AromaticContact CZ2-CE1 3.5Å; W94-Y179 HydrophobicContact CZ2-CE1 3.5Å; W94-Y179 AromaticContact NE1-CD1 3.94Å; W94-Y179 PolarHBondContact NE1-O 2.97Å; M105-Y179 HydrophobicContact CB-CE1 4.35Å; M105-Y179 HydrophobicContact CE-CD1 4Å; M105-Y179 HydrophobicContact CE-CE1 3.45Å; M105-Y179 VanDerWaalsContact CE-CE1 3.45Å; L106-Y179 HydrophobicContact CD2-CD2 4.49Å; L106-Y179 HydrophobicContact CD2-CG 4.42Å; A109-Y179 HydrophobicContact CB-CD2 3.66Å; A109-Y179 HydrophobicContact CB-CE2 3.73Å; Y114-Y179 WeakPolarHBondContact O-CB 3.47Å; Y114-Y179 PolarHBondContact O-N 3.24Å; L115-Y179 HydrophobicContact CD2-CD1 4.25Å; V177-Y179 PolarHBondContact O-N 3.31Å
180	R	95.6	Very high	88.8	Confident	55 Å²	55	83.7 Å²	83.7	21%	0.208	41%	0.409	C	S	.	.			trans	-92.6	149.6	-172.1	-63.2	-176.6	171.7	85.9	-5.5	112.7	S90 G91 F92 P178 W182 L222	S90-R180 PolarHBondContact O-NE 3.49Å; G91-R180 CarbonylContact O-C 3.51Å; G91-R180 WeakPolarHBondContact O-CA 3.37Å; F92-R180 HydrophobicContact CB-CG 4.12Å; P178-R180 HydrophobicContact CB-CG 4.25Å; P178-R180 VanDerWaalsContact CG-NH1 3.32Å; P178-R180 PolarHBondContact O-N 3.44Å; R180-W182 WeakPolarHBondContact CB-O 3.49Å; R180-L222 PolarHBondContact NH2-OXT 2.7Å
181	K	93.4	Very high	89.1	Confident	91 Å²	91	83.4 Å²	83.4	40%	0.396	41%	0.405	S	S	.	.	S	Bend	trans	-71.9	-31.6	169.3	-69.8	171.8	175.6	167.6	0	112.3	G91 Y93 W94	G91-K181 PolarHBondContact O-N 2.87Å; Y93-K181 WeakPolarHBondContact O-CE 3.26Å; Y93-K181 PolarHBondContact O-NZ 2.67Å; W94-K181 HydrophobicContact CD2-CD 4.44Å; W94-K181 HydrophobicContact CD2-CG 3.84Å; W94-K181 HydrophobicContact CE3-CD 4.48Å; W94-K181 HydrophobicContact CE3-CG 3.95Å; W94-K181 HydrophobicContact CH2-CB 4.44Å; W94-K181 HydrophobicContact CH2-CG 3.66Å; W94-K181 HydrophobicContact CZ2-CB 4.3Å; W94-K181 HydrophobicContact CZ2-CG 3.52Å; W94-K181 HydrophobicContact CZ3-CG 3.87Å
182	W	92.1	Very high	90.3	Very high	105 Å²	105	81.5 Å²	81.5	40%	0.398	38%	0.381	S	S	.	.	S	Bend	trans	-137.5	156.7	179.4	59.8	89.5	0	0	0	110.9	E88 G91 R180	E88-W182 WeakPolarHBondContact O-CH2 3.47Å; E88-W182 WeakPolarHBondContact O-CZ2 3.47Å; G91-W182 VanDerWaalsContact CA-CE2 3.45Å; R180-W182 WeakPolarHBondContact CB-O 3.49Å
183	E	90.8	Very high	91.3	Very high	168 Å²	168	80.1 Å²	80.1	79%	0.785	37%	0.371	S	S	*	.	P	Polyproline II helix	trans	-72.2	137.3	173.7	-72.7	-61.2	142.6	0	0	110.8
184	P	92	Very high	92.5	Very high	25 Å²	25	75.2 Å²	75.2	16%	0.162	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-60.8	142.3	175.7	-20.5	31.9	0	0	0	112	E188 L189	P184-E188 WeakPolarHBondContact CA-OE2 3.38Å; P184-E188 HydrophobicContact CB-CB 4.19Å; P184-L189 HydrophobicContact CB-CD2 3.9Å; P184-L189 HydrophobicContact CB-CG 4.1Å; P184-L189 HydrophobicContact CG-CD2 4.26Å
185	T	93.9	Very high	93.1	Very high	73 Å²	73	74.2 Å²	74.2	45%	0.448	35%	0.349	S	S	.	.	P	Polyproline II helix	trans	-65.8	158.6	171.9	64.4	0	0	0	0	111.3	Q187 E188 L189	T185-Q187 PolarHBondContact O-N 2.98Å; T185-E188 PolarHBondContact N-OE2 3.19Å; T185-E188 PolarHBondContact O-N 3.08Å; T185-E188 VanDerWaalsContact O-N 3.08Å; T185-E188 VanDerWaalsContact OG1-CG 3.3Å; T185-E188 WeakPolarHBondContact OG1-CG 3.39Å; T185-E188 PolarHBondContact OG1-N 2.95Å; T185-E188 PolarHBondContact OG1-OE2 3.27Å; T185-L189 WeakPolarHBondContact O-CG 3.39Å; T185-L189 PolarHBondContact O-N 2.76Å
186	L	95.6	Very high	93.1	Very high	135 Å²	135	76.1 Å²	76.1	71%	0.707	36%	0.364	S	S	*	.	H	α-helix	trans	-55.1	-37.1	173.9	-179	61	0	0	0	112	L189 C190	L186-L189 PolarHBondContact O-N 2.95Å; L186-C190 WeakPolarHBondContact O-CB 3.39Å; L186-C190 PolarHBondContact O-N 3.41Å; L186-C190 PolarHBondContact O-SG 2.89Å
187	Q	94.3	Very high	93	Very high	132 Å²	132	76.5 Å²	76.5	62%	0.617	37%	0.371	S	S	*	.	H	α-helix	trans	-62.8	-44.1	177.6	-63.5	-177.7	15.7	0	0	111.8	T185 C190 R191 F214	T185-Q187 PolarHBondContact O-N 2.98Å; Q187-C190 PolarHBondContact O-N 2.88Å; Q187-R191 WeakPolarHBondContact O-CB 3.29Å; Q187-R191 PolarHBondContact O-N 3.08Å; Q187-F214 HydrophobicContact CB-CE1 4.07Å; Q187-F214 HydrophobicContact CB-CZ 3.74Å
188	E	93	Very high	92.7	Very high	40 Å²	40	74.5 Å²	74.5	19%	0.187	36%	0.36	C	S	.	.	H	α-helix	trans	-67.3	-38.5	177.6	-70.1	163.2	145.1	0	0	112	P184 T185 R191 R192	P184-E188 WeakPolarHBondContact CA-OE2 3.38Å; P184-E188 HydrophobicContact CB-CB 4.19Å; T185-E188 PolarHBondContact N-OE2 3.19Å; T185-E188 PolarHBondContact O-N 3.08Å; T185-E188 VanDerWaalsContact O-N 3.08Å; T185-E188 VanDerWaalsContact OG1-CG 3.3Å; T185-E188 WeakPolarHBondContact OG1-CG 3.39Å; T185-E188 PolarHBondContact OG1-N 2.95Å; T185-E188 PolarHBondContact OG1-OE2 3.27Å; E188-R191 PolarHBondContact O-N 3.48Å; E188-R192 WeakPolarHBondContact O-CB 3.38Å; E188-R192 PolarHBondContact O-N 3.28Å
189	L	93	Very high	91.5	Very high	67 Å²	67	76.8 Å²	76.8	35%	0.351	39%	0.386	S	S	.	.	H	α-helix	trans	-62	-44.8	173.6	-65.7	175.7	0	0	0	111.3	P184 T185 L186 R192 R193	P184-L189 HydrophobicContact CB-CD2 3.9Å; P184-L189 HydrophobicContact CB-CG 4.1Å; P184-L189 HydrophobicContact CG-CD2 4.26Å; T185-L189 WeakPolarHBondContact O-CG 3.39Å; T185-L189 PolarHBondContact O-N 2.76Å; L186-L189 PolarHBondContact O-N 2.95Å; L189-R192 PolarHBondContact O-N 2.99Å; L189-R193 PolarHBondContact O-N 3.21Å; L189-R193 VanDerWaalsContact O-N 3.08Å
190	C	93.6	Very high	90.3	Very high	60 Å²	60	76.1 Å²	76.1	41%	0.405	40%	0.402	S	S	.	.	H	α-helix	trans	-62.3	-47.8	174.9	-73.8	0	0	0	0	111.5	L186 Q187 R192 R193 I194	L186-C190 WeakPolarHBondContact O-CB 3.39Å; L186-C190 PolarHBondContact O-N 3.41Å; L186-C190 PolarHBondContact O-SG 2.89Å; Q187-C190 PolarHBondContact O-N 2.88Å; C190-R192 PolarHBondContact O-N 3.14Å; C190-R193 PolarHBondContact O-N 3.41Å; C190-R193 VanDerWaalsContact O-N 3.14Å; C190-I194 VanDerWaalsContact O-CG1 3.29Å; C190-I194 WeakPolarHBondContact O-CG1 3.43Å; C190-I194 PolarHBondContact O-N 3.34Å
191	R	93.4	Very high	89.8	Confident	21 Å²	21	79.4 Å²	79.4	8%	0.079	42%	0.418	C	S	.	.	H	α-helix	trans	-53.6	-53	175.9	177	-177.3	72.7	-171	2.5	110.8	Q187 E188 R193 I194 V195 F214 L215	Q187-R191 WeakPolarHBondContact O-CB 3.29Å; Q187-R191 PolarHBondContact O-N 3.08Å; E188-R191 PolarHBondContact O-N 3.48Å; R191-R193 VanDerWaalsContact C-N 3.26Å; R191-R193 PolarHBondContact O-N 2.85Å; R191-I194 PolarHBondContact O-N 3.04Å; R191-V195 HydrophobicContact CG-CG2 4.06Å; R191-V195 WeakPolarHBondContact O-CB 3.35Å; R191-V195 VanDerWaalsContact O-CG2 3.22Å; R191-V195 WeakPolarHBondContact O-CG2 3.41Å; R191-V195 PolarHBondContact O-N 3.37Å; R191-F214 HydrophobicContact CB-CE1 3.77Å; R191-F214 HydrophobicContact CB-CZ 4.3Å; R191-F214 WeakPolarHBondContact CD-O 3.3Å; R191-F214 HydrophobicContact CG-CE1 4.41Å; R191-L215 HydrophobicContact CB-CD2 3.94Å; R191-L215 HydrophobicContact CG-CD2 3.75Å
192	R	91.8	Very high	89.4	Confident	87 Å²	87	75.3 Å²	75.3	33%	0.328	40%	0.4	S	S	.	.	H	α-helix	trans	-55.3	-43.5	179.4	-175	177.8	65.4	-175.5	-2.4	111.6	E188 L189 C190 A196 K221 L222	E188-R192 WeakPolarHBondContact O-CB 3.38Å; E188-R192 PolarHBondContact O-N 3.28Å; L189-R192 PolarHBondContact O-N 2.99Å; C190-R192 PolarHBondContact O-N 3.14Å; R192-A196 VanDerWaalsContact O-CB 3.28Å; R192-A196 WeakPolarHBondContact O-CB 3.29Å; R192-A196 PolarHBondContact O-N 3.41Å; R192-K221 WeakPolarHBondContact CD-O 3.26Å; R192-K221 WeakPolarHBondContact CG-O 3.38Å; R192-L222 VanDerWaalsContact CD-O 3.29Å; R192-L222 WeakPolarHBondContact CD-O 3.24Å
193	R	93.1	Very high	89.1	Confident	163 Å²	163	74.1 Å²	74.1	62%	0.615	41%	0.406	S	S	*	.	H	α-helix	trans	-67.1	-44.2	179.2	-174.9	57.5	175.8	175.2	1.5	112.2	L189 C190 R191 A196 L197	L189-R193 PolarHBondContact O-N 3.21Å; L189-R193 VanDerWaalsContact O-N 3.08Å; C190-R193 PolarHBondContact O-N 3.41Å; C190-R193 VanDerWaalsContact O-N 3.14Å; R191-R193 VanDerWaalsContact C-N 3.26Å; R191-R193 PolarHBondContact O-N 2.85Å; R193-A196 PolarHBondContact O-N 3.28Å; R193-L197 HydrophobicContact CG-CD1 4.29Å; R193-L197 WeakPolarHBondContact O-CG 3.28Å; R193-L197 PolarHBondContact O-N 2.95Å
194	I	92.9	Very high	89	Confident	57 Å²	57	72.9 Å²	72.9	29%	0.292	40%	0.4	S	S	.	.	H	α-helix	trans	-62.8	-51.2	178.1	-68	164.1	0	0	0	110.1	C190 R191 A196 L197 C198 L205 L215	C190-I194 VanDerWaalsContact O-CG1 3.29Å; C190-I194 WeakPolarHBondContact O-CG1 3.43Å; C190-I194 PolarHBondContact O-N 3.34Å; R191-I194 PolarHBondContact O-N 3.04Å; I194-A196 VanDerWaalsContact C-N 3.26Å; I194-A196 PolarHBondContact O-N 2.84Å; I194-L197 PolarHBondContact O-N 3.25Å; I194-C198 WeakPolarHBondContact O-CB 3.35Å; I194-C198 PolarHBondContact O-N 3.11Å; I194-C198 PolarHBondContact O-SG 3.18Å; I194-C198 VanDerWaalsContact O-SG 3.33Å; I194-L205 HydrophobicContact CG2-CD1 3.68Å; I194-L215 HydrophobicContact CB-CD2 4.23Å; I194-L215 HydrophobicContact CD1-CD2 4.15Å; I194-L215 HydrophobicContact CG2-CD1 3.94Å; I194-L215 HydrophobicContact CG2-CD2 4.13Å
195	V	91.3	Very high	88.9	Confident	7 Å²	7	73.7 Å²	73.7	4%	0.042	40%	0.403	C	S	.	.	H	α-helix	trans	-56.7	-41.7	178.2	172.1	0	0	0	0	111.3	R191 L197 G199 I202 K221	R191-V195 HydrophobicContact CG-CG2 4.06Å; R191-V195 WeakPolarHBondContact O-CB 3.35Å; R191-V195 VanDerWaalsContact O-CG2 3.22Å; R191-V195 WeakPolarHBondContact O-CG2 3.41Å; R191-V195 PolarHBondContact O-N 3.37Å; V195-L197 VanDerWaalsContact C-N 3.3Å; V195-L197 PolarHBondContact O-N 2.95Å; V195-G199 PolarHBondContact O-N 3.38Å; V195-I202 HydrophobicContact CG2-CD1 3.97Å; V195-K221 HydrophobicContact CG1-CG 4.16Å
196	A	89.9	Confident	88.8	Confident	41 Å²	41	76.5 Å²	76.5	34%	0.339	42%	0.423	S	S	.	.	H	α-helix	trans	-62.3	-35.7	177.8	0	0	0	0	0	113.3	R192 R193 I194 K221	R192-A196 VanDerWaalsContact O-CB 3.28Å; R192-A196 WeakPolarHBondContact O-CB 3.29Å; R192-A196 PolarHBondContact O-N 3.41Å; R193-A196 PolarHBondContact O-N 3.28Å; I194-A196 VanDerWaalsContact C-N 3.26Å; I194-A196 PolarHBondContact O-N 2.84Å; A196-K221 HydrophobicContact CB-CD 4.26Å; A196-K221 HydrophobicContact CB-CG 4.16Å
197	L	89.5	Confident	88.6	Confident	120 Å²	120	72.9 Å²	72.9	63%	0.628	41%	0.406	S	S	*	.	H	α-helix	trans	-83.5	-40.7	-179.4	-67.3	172.6	0	0	0	112.8	R193 I194 V195	R193-L197 HydrophobicContact CG-CD1 4.29Å; R193-L197 WeakPolarHBondContact O-CG 3.28Å; R193-L197 PolarHBondContact O-N 2.95Å; I194-L197 PolarHBondContact O-N 3.25Å; V195-L197 VanDerWaalsContact C-N 3.3Å; V195-L197 PolarHBondContact O-N 2.95Å
198	C	85.6	Confident	88.7	Confident	30 Å²	30	70.7 Å²	70.7	20%	0.203	40%	0.401	C	S	.	.	H	α-helix	trans	-81.4	-19.5	-172.8	-62.4	0	0	0	0	113.5	I194 G200 K201	I194-C198 WeakPolarHBondContact O-CB 3.35Å; I194-C198 PolarHBondContact O-N 3.11Å; I194-C198 PolarHBondContact O-SG 3.18Å; I194-C198 VanDerWaalsContact O-SG 3.33Å; C198-G200 PolarHBondContact O-N 2.85Å; C198-K201 WeakPolarHBondContact O-CB 3.22Å; C198-K201 PolarHBondContact O-N 3.21Å
199	G	71.4	Confident	88.7	Confident	60 Å²	60	75 Å²	75	62%	0.619	42%	0.421	S	S	*	.	T	Hydrogen-bonded Turn	trans	56.1	28.4	168.9	0	0	0	0	0	115.6	V195	V195-G199 PolarHBondContact O-N 3.38Å
200	G	70.9	Confident	88.8	Confident	61 Å²	61	76.1 Å²	76.1	63%	0.629	43%	0.431	S	S	*	.	T	Hydrogen-bonded Turn	trans	109.3	-9.9	-177.5	0	0	0	0	0	115.1	C198 I202	C198-G200 PolarHBondContact O-N 2.85Å; G200-I202 PolarHBondContact O-N 3.03Å
201	K	84	Confident	88.7	Confident	124 Å²	124	76 Å²	76	54%	0.539	43%	0.428	S	S	.	.			trans	-86.1	30.9	177.3	-58.7	-177.8	175.7	-166.6	0	113.7	C198 P203 E204	C198-K201 WeakPolarHBondContact O-CB 3.22Å; C198-K201 PolarHBondContact O-N 3.21Å; K201-P203 VanDerWaalsContact C-CD 3.45Å; K201-E204 HydrophobicContact CB-CG 4.49Å; K201-E204 PolarHBondContact O-N 2.9Å
202	I	85.9	Confident	88.7	Confident	5 Å²	5	77.3 Å²	77.3	3%	0.026	44%	0.435	C	S	.	.	G	3₁₀ helix	trans	-58.6	-41	-180	-62.6	169.6	0	0	0	112	V195 G200 E204 L205 L215 L216 P219	V195-I202 HydrophobicContact CG2-CD1 3.97Å; G200-I202 PolarHBondContact O-N 3.03Å; I202-E204 PolarHBondContact O-N 3.39Å; I202-L205 WeakPolarHBondContact O-CB 3.41Å; I202-L205 WeakPolarHBondContact O-CG 3.39Å; I202-L205 PolarHBondContact O-N 2.85Å; I202-L215 HydrophobicContact CD1-CB 4.37Å; I202-L215 HydrophobicContact CG2-CB 3.58Å; I202-L215 HydrophobicContact CG2-CD1 3.83Å; I202-L215 HydrophobicContact CG2-CG 4.37Å; I202-L216 HydrophobicContact CB-CD2 4.16Å; I202-L216 HydrophobicContact CD1-CD2 4.29Å; I202-L216 HydrophobicContact CG2-CD2 4.03Å; I202-L216 HydrophobicContact CG2-CG 4.1Å; I202-P219 HydrophobicContact CD1-CB 4.27Å
203	P	85.9	Confident	88.7	Confident	81 Å²	81	77.8 Å²	77.8	53%	0.526	44%	0.444	S	S	.	.	G	3₁₀ helix	trans	-65.4	-19.2	179.8	-23.3	35.6	0	0	0	114.8	K201 L205 Q212	K201-P203 VanDerWaalsContact C-CD 3.45Å; P203-L205 VanDerWaalsContact C-N 3.28Å; P203-Q212 PolarHBondContact O-NE2 3.21Å
204	E	88.9	Confident	88.7	Confident	142 Å²	142	72.7 Å²	72.7	66%	0.664	43%	0.427	S	S	*	.	G	3₁₀ helix	trans	-83.5	-6.2	-179.9	-61.8	171.6	-157.2	0	0	112.4	K201 I202	K201-E204 HydrophobicContact CB-CG 4.49Å; K201-E204 PolarHBondContact O-N 2.9Å; I202-E204 PolarHBondContact O-N 3.39Å
205	L	88.7	Confident	88.7	Confident	41 Å²	41	70 Å²	70	22%	0.215	41%	0.413	C	S	.	.	S	Bend	trans	-73.1	136.4	-177.1	-68	175.6	0	0	0	111.5	I194 I202 P203 V207 Q212 L215	I194-L205 HydrophobicContact CG2-CD1 3.68Å; I202-L205 WeakPolarHBondContact O-CB 3.41Å; I202-L205 WeakPolarHBondContact O-CG 3.39Å; I202-L205 PolarHBondContact O-N 2.85Å; P203-L205 VanDerWaalsContact C-N 3.28Å; L205-V207 HydrophobicContact CB-CG1 4.29Å; L205-V207 HydrophobicContact CB-CG2 3.98Å; L205-V207 PolarHBondContact O-N 3.26Å; L205-Q212 PolarHBondContact O-NE2 3.33Å; L205-L215 HydrophobicContact CD1-CD1 3.87Å
206	P	92.2	Very high	88.6	Confident	133 Å²	133	73.7 Å²	73.7	86%	0.864	43%	0.432	S	S	*	.	S	Bend	trans	-78	60.2	176.9	34.8	-36.8	0	0	0	110.7
207	V	91.8	Very high	88.6	Confident	58 Å²	58	75.1 Å²	75.1	35%	0.352	43%	0.434	S	S	.	.	S	Bend	trans	-122.9	161.8	179.3	-58.4	0	0	0	0	110.1	L205 V211 Q212	L205-V207 HydrophobicContact CB-CG1 4.29Å; L205-V207 HydrophobicContact CB-CG2 3.98Å; L205-V207 PolarHBondContact O-N 3.26Å; V207-V211 HydrophobicContact CB-CB 4.07Å; V207-V211 HydrophobicContact CB-CG1 3.98Å; V207-V211 HydrophobicContact CG1-CG1 4.4Å; V207-V211 HydrophobicContact CG2-CB 4.03Å; V207-V211 HydrophobicContact CG2-CG1 3.87Å; V207-Q212 HydrophobicContact CG2-CG 3.51Å
208	T	95.6	Very high	88.6	Confident	86 Å²	86	69.6 Å²	69.6	53%	0.528	41%	0.405	S	S	.	.			trans	-66.1	154.8	178.8	63	0	0	0	0	111.1	V210 V211 Q212	T208-V210 PolarHBondContact O-N 3.18Å; T208-V211 PolarHBondContact O-N 2.96Å; T208-V211 WeakPolarHBondContact OG1-CG2 3.47Å; T208-Q212 PolarHBondContact O-N 3.09Å
209	H	92.9	Very high	88.9	Confident	130 Å²	130	70.6 Å²	70.6	60%	0.602	41%	0.411	S	S	*	.	H	α-helix	trans	-54.2	-38.5	177.1	64.7	-86.9	0	0	0	112.2	V211 Q212 D213	H209-V211 VanDerWaalsContact C-N 3.29Å; H209-V211 PolarHBondContact O-N 3.01Å; H209-Q212 WeakPolarHBondContact O-CB 3.46Å; H209-Q212 PolarHBondContact O-N 3.42Å; H209-Q212 VanDerWaalsContact O-N 3.1Å; H209-D213 WeakPolarHBondContact O-CB 3.41Å; H209-D213 VanDerWaalsContact O-CG 3.22Å; H209-D213 PolarHBondContact O-N 2.94Å
210	V	94.9	Very high	89.7	Confident	92 Å²	92	68.9 Å²	68.9	56%	0.558	39%	0.386	S	S	*	.	H	α-helix	trans	-57	-42.3	175.6	-177.8	0	0	0	0	111.8	T208 F214	T208-V210 PolarHBondContact O-N 3.18Å; V210-F214 WeakPolarHBondContact O-CB 3.4Å; V210-F214 PolarHBondContact O-N 3.1Å; V210-F214 VanDerWaalsContact O-N 3.09Å
211	V	92.6	Very high	90.4	Very high	57 Å²	57	71.3 Å²	71.3	35%	0.345	38%	0.379	S	S	.	.	H	α-helix	trans	-72.9	-39.8	177.1	177.1	0	0	0	0	110.4	V207 T208 H209 D213 F214 L215	V207-V211 HydrophobicContact CB-CB 4.07Å; V207-V211 HydrophobicContact CB-CG1 3.98Å; V207-V211 HydrophobicContact CG1-CG1 4.4Å; V207-V211 HydrophobicContact CG2-CB 4.03Å; V207-V211 HydrophobicContact CG2-CG1 3.87Å; T208-V211 PolarHBondContact O-N 2.96Å; T208-V211 WeakPolarHBondContact OG1-CG2 3.47Å; H209-V211 VanDerWaalsContact C-N 3.29Å; H209-V211 PolarHBondContact O-N 3.01Å; V211-D213 PolarHBondContact O-N 3.31Å; V211-F214 PolarHBondContact O-N 3.5Å; V211-L215 HydrophobicContact CG1-CD1 4.18Å; V211-L215 HydrophobicContact CG1-CG 4.33Å; V211-L215 VanDerWaalsContact O-CG 3.24Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 3.31Å
212	Q	92.6	Very high	90.3	Very high	49 Å²	49	66 Å²	66	23%	0.229	36%	0.356	C	S	.	.	H	α-helix	trans	-58.9	-48.3	175.4	-64.8	-172.9	-15.8	0	0	111.3	P203 L205 V207 T208 H209 F214 L215 L216	P203-Q212 PolarHBondContact O-NE2 3.21Å; L205-Q212 PolarHBondContact O-NE2 3.33Å; V207-Q212 HydrophobicContact CG2-CG 3.51Å; T208-Q212 PolarHBondContact O-N 3.09Å; H209-Q212 WeakPolarHBondContact O-CB 3.46Å; H209-Q212 PolarHBondContact O-N 3.42Å; H209-Q212 VanDerWaalsContact O-N 3.1Å; Q212-F214 VanDerWaalsContact C-N 3.33Å; Q212-F214 PolarHBondContact O-N 2.96Å; Q212-L215 PolarHBondContact O-N 2.8Å; Q212-L215 VanDerWaalsContact O-N 3.11Å; Q212-L216 WeakPolarHBondContact O-CB 3.45Å; Q212-L216 VanDerWaalsContact O-CG 3.31Å; Q212-L216 WeakPolarHBondContact O-CG 3.44Å; Q212-L216 PolarHBondContact O-N 3.24Å
213	D	92.6	Very high	90.5	Very high	97 Å²	97	69 Å²	69	52%	0.519	37%	0.373	S	S	.	.	H	α-helix	trans	-59.2	-44.4	177.3	-67.2	-22.6	0	0	0	110.9	H209 V211 L215 L216 D217	H209-D213 WeakPolarHBondContact O-CB 3.41Å; H209-D213 VanDerWaalsContact O-CG 3.22Å; H209-D213 PolarHBondContact O-N 2.94Å; V211-D213 PolarHBondContact O-N 3.31Å; D213-L215 VanDerWaalsContact C-N 3.32Å; D213-L215 PolarHBondContact O-N 3.24Å; D213-L216 PolarHBondContact O-N 2.81Å; D213-D217 WeakPolarHBondContact O-CB 3.24Å; D213-D217 PolarHBondContact O-N 3.18Å
214	F	92.6	Very high	90.8	Very high	55 Å²	55	68.4 Å²	68.4	24%	0.241	37%	0.365	C	S	.	.	H	α-helix	trans	-60.7	-37.8	175.4	174.6	-106.4	0	0	0	113.4	Q187 R191 V210 V211 Q212	Q187-F214 HydrophobicContact CB-CE1 4.07Å; Q187-F214 HydrophobicContact CB-CZ 3.74Å; R191-F214 HydrophobicContact CB-CE1 3.77Å; R191-F214 HydrophobicContact CB-CZ 4.3Å; R191-F214 WeakPolarHBondContact CD-O 3.3Å; R191-F214 HydrophobicContact CG-CE1 4.41Å; V210-F214 WeakPolarHBondContact O-CB 3.4Å; V210-F214 PolarHBondContact O-N 3.1Å; V210-F214 VanDerWaalsContact O-N 3.09Å; V211-F214 PolarHBondContact O-N 3.5Å; Q212-F214 VanDerWaalsContact C-N 3.33Å; Q212-F214 PolarHBondContact O-N 2.96Å
215	L	92.3	Very high	90.9	Very high	2 Å²	2	64.3 Å²	64.3	1%	0.01	35%	0.348	C	S	.	.	H	α-helix	trans	-71.6	-37	176.4	-66.3	175.1	0	0	0	111.8	R191 I194 I202 L205 V211 Q212 D213 F218	R191-L215 HydrophobicContact CB-CD2 3.94Å; R191-L215 HydrophobicContact CG-CD2 3.75Å; I194-L215 HydrophobicContact CB-CD2 4.23Å; I194-L215 HydrophobicContact CD1-CD2 4.15Å; I194-L215 HydrophobicContact CG2-CD1 3.94Å; I194-L215 HydrophobicContact CG2-CD2 4.13Å; I202-L215 HydrophobicContact CD1-CB 4.37Å; I202-L215 HydrophobicContact CG2-CB 3.58Å; I202-L215 HydrophobicContact CG2-CD1 3.83Å; I202-L215 HydrophobicContact CG2-CG 4.37Å; L205-L215 HydrophobicContact CD1-CD1 3.87Å; V211-L215 HydrophobicContact CG1-CD1 4.18Å; V211-L215 HydrophobicContact CG1-CG 4.33Å; V211-L215 VanDerWaalsContact O-CG 3.24Å; V211-L215 WeakPolarHBondContact O-CG 3.46Å; V211-L215 PolarHBondContact O-N 3.31Å; Q212-L215 PolarHBondContact O-N 2.8Å; Q212-L215 VanDerWaalsContact O-N 3.11Å; D213-L215 VanDerWaalsContact C-N 3.32Å; D213-L215 PolarHBondContact O-N 3.24Å; L215-F218 CarbonylContact O-C 3.58Å
216	L	90.5	Very high	91	Very high	83 Å²	83	65.6 Å²	65.6	44%	0.435	36%	0.356	S	S	.	.	H	α-helix	trans	-79.4	-23.8	-179	-69.2	173.3	0	0	0	113.5	I202 Q212 D213 F218 P219	I202-L216 HydrophobicContact CB-CD2 4.16Å; I202-L216 HydrophobicContact CD1-CD2 4.29Å; I202-L216 HydrophobicContact CG2-CD2 4.03Å; I202-L216 HydrophobicContact CG2-CG 4.1Å; Q212-L216 WeakPolarHBondContact O-CB 3.45Å; Q212-L216 VanDerWaalsContact O-CG 3.31Å; Q212-L216 WeakPolarHBondContact O-CG 3.44Å; Q212-L216 PolarHBondContact O-N 3.24Å; D213-L216 PolarHBondContact O-N 2.81Å; L216-F218 PolarHBondContact O-N 3.2Å; L216-P219 WeakPolarHBondContact O-CD 3.49Å
217	D	89.8	Confident	91	Very high	71 Å²	71	61.4 Å²	61.4	38%	0.38	32%	0.324	S	S	.	.	H	α-helix	trans	-59.9	-31.1	176.1	-175.2	54.9	0	0	0	112.1	K86 R89 D213	K86-D217 VanDerWaalsContact CE-O 3.26Å; K86-D217 WeakPolarHBondContact CE-O 3.31Å; R89-D217 IonicContact NE-OD2 2.99Å; D213-D217 WeakPolarHBondContact O-CB 3.24Å; D213-D217 PolarHBondContact O-N 3.18Å
218	F	89.9	Confident	90.9	Very high	5 Å²	5	61.7 Å²	61.7	2%	0.022	32%	0.323	C	S	.	.	S	Bend	trans	-148	81.3	177	-165	-87.1	0	0	0	110.7	K86 F161 L215 L216 Y220	K86-F218 HydrophobicContact CB-CD2 4.2Å; K86-F218 HydrophobicContact CB-CE2 4.21Å; K86-F218 HydrophobicContact CG-CD2 4.34Å; F161-F218 AromaticContact CD1-CE2 3.84Å; F161-F218 HydrophobicContact CD1-CE2 3.84Å; F161-F218 AromaticContact CD1-CZ 3.67Å; F161-F218 HydrophobicContact CD1-CZ 3.67Å; F161-F218 AromaticContact CE1-CE2 3.48Å; F161-F218 HydrophobicContact CE1-CE2 3.48Å; F161-F218 VanDerWaalsContact CE1-CE2 3.48Å; F161-F218 AromaticContact CE1-CZ 3.63Å; F161-F218 HydrophobicContact CE1-CZ 3.63Å; F161-F218 HydrophobicContact CE2-CE2 4.4Å; F161-F218 HydrophobicContact CG-CE2 4.44Å; F161-F218 HydrophobicContact CG-CZ 4.46Å; F161-F218 AromaticContact CZ-CE2 3.81Å; F161-F218 HydrophobicContact CZ-CE2 3.81Å; F161-F218 HydrophobicContact CZ-CZ 4.41Å; L215-F218 CarbonylContact O-C 3.58Å; L216-F218 PolarHBondContact O-N 3.2Å; F218-Y220 AromaticContact CD1-CD2 3.76Å; F218-Y220 HydrophobicContact CD1-CD2 3.76Å; F218-Y220 HydrophobicContact CD1-CG 4.41Å; F218-Y220 AromaticContact CD2-CD2 4Å; F218-Y220 HydrophobicContact CD2-CD2 4Å; F218-Y220 HydrophobicContact CD2-CE2 4.38Å; F218-Y220 AromaticContact CE1-CD2 3.79Å; F218-Y220 HydrophobicContact CE1-CD2 3.79Å; F218-Y220 HydrophobicContact CE1-CG 4.31Å; F218-Y220 HydrophobicContact CE2-CD2 4.02Å; F218-Y220 AromaticContact CG-CD2 3.87Å; F218-Y220 HydrophobicContact CG-CD2 3.87Å; F218-Y220 AromaticContact CZ-CD2 3.91Å; F218-Y220 HydrophobicContact CZ-CD2 3.91Å; F218-Y220 PolarHBondContact O-N 3.49Å
219	P	90.1	Very high	90.6	Very high	51 Å²	51	59.9 Å²	59.9	33%	0.331	31%	0.308	S	S	.	.			trans	-86.7	50.2	-172.1	36.2	-34.2	0	0	0	111.1	I202 L216	I202-P219 HydrophobicContact CD1-CB 4.27Å; L216-P219 WeakPolarHBondContact O-CD 3.49Å
220	Y	88.7	Confident	90.4	Very high	23 Å²	23	54.5 Å²	54.5	9%	0.09	29%	0.285	C	S	.	.			trans	-122.6	151.7	-178.5	-49.6	-67.8	0	0	0	112	T159 F161 E165 F218 L222	T159-Y220 WeakPolarHBondContact CG2-OH 3.47Å; T159-Y220 PolarHBondContact OG1-OH 2.7Å; F161-Y220 HydrophobicContact CB-CD1 3.56Å; F161-Y220 HydrophobicContact CB-CD2 3.48Å; F161-Y220 VanDerWaalsContact CB-CD2 3.48Å; F161-Y220 HydrophobicContact CB-CE1 3.56Å; F161-Y220 HydrophobicContact CB-CE2 3.45Å; F161-Y220 VanDerWaalsContact CB-CE2 3.45Å; F161-Y220 HydrophobicContact CB-CG 3.54Å; F161-Y220 HydrophobicContact CD1-CD2 4.15Å; F161-Y220 HydrophobicContact CD1-CE2 4.37Å; F161-Y220 HydrophobicContact CD2-CD2 4.06Å; F161-Y220 AromaticContact CD2-CE2 3.46Å; F161-Y220 HydrophobicContact CD2-CE2 3.46Å; F161-Y220 VanDerWaalsContact CD2-CE2 3.46Å; F161-Y220 AromaticContact CD2-CZ 3.87Å; F161-Y220 HydrophobicContact CE2-CE2 4.35Å; F161-Y220 AromaticContact CG-CD2 3.62Å; F161-Y220 HydrophobicContact CG-CD2 3.62Å; F161-Y220 HydrophobicContact CG-CE1 4.48Å; F161-Y220 AromaticContact CG-CE2 3.49Å; F161-Y220 HydrophobicContact CG-CE2 3.49Å; F161-Y220 VanDerWaalsContact CG-CE2 3.49Å; F161-Y220 HydrophobicContact CG-CG 4.18Å; F161-Y220 AromaticContact CG-CZ 3.97Å; E165-Y220 WeakPolarHBondContact OE1-CA 3.45Å; F218-Y220 AromaticContact CD1-CD2 3.76Å; F218-Y220 HydrophobicContact CD1-CD2 3.76Å; F218-Y220 HydrophobicContact CD1-CG 4.41Å; F218-Y220 AromaticContact CD2-CD2 4Å; F218-Y220 HydrophobicContact CD2-CD2 4Å; F218-Y220 HydrophobicContact CD2-CE2 4.38Å; F218-Y220 AromaticContact CE1-CD2 3.79Å; F218-Y220 HydrophobicContact CE1-CD2 3.79Å; F218-Y220 HydrophobicContact CE1-CG 4.31Å; F218-Y220 HydrophobicContact CE2-CD2 4.02Å; F218-Y220 AromaticContact CG-CD2 3.87Å; F218-Y220 HydrophobicContact CG-CD2 3.87Å; F218-Y220 AromaticContact CZ-CD2 3.91Å; F218-Y220 HydrophobicContact CZ-CD2 3.91Å; F218-Y220 PolarHBondContact O-N 3.49Å; Y220-L222 VanDerWaalsContact C-N 3.34Å
221	K	86.9	Confident	90	Very high	112 Å²	112	51.4 Å²	51.4	49%	0.487	26%	0.263	S	S	.	.			trans	-89.6	4.8	-177.1	-55	178.9	-172	-177.4	0	113.3	E165 R192 V195 A196	E165-K221 WeakPolarHBondContact OE1-CB 3.44Å; E165-K221 WeakPolarHBondContact OE1-CG 3.46Å; E165-K221 PolarHBondContact OE1-N 3.21Å; R192-K221 WeakPolarHBondContact CD-O 3.26Å; R192-K221 WeakPolarHBondContact CG-O 3.38Å; V195-K221 HydrophobicContact CG1-CG 4.16Å; A196-K221 HydrophobicContact CB-CD 4.26Å; A196-K221 HydrophobicContact CB-CG 4.16Å
222	L	81.4	Confident	89.8	Confident	12 Å²	12	50.9 Å²	50.9	6%	0.063	26%	0.255	C	S	.	.			trans	-76.3	0	-175.6	-53.7	166.5	0	0	0	112.6	F161 L164 E165 M168 R180 R192 Y220	F161-L222 HydrophobicContact CB-CD1 3.86Å; F161-L222 HydrophobicContact CD1-CD1 3.85Å; F161-L222 HydrophobicContact CG-CD1 4.36Å; L164-L222 HydrophobicContact CB-CD1 4.07Å; L164-L222 HydrophobicContact CB-CD2 4.07Å; L164-L222 HydrophobicContact CD1-CD1 4.45Å; E165-L222 HydrophobicContact CB-CD2 4.29Å; E165-L222 HydrophobicContact CG-CD1 3.98Å; E165-L222 HydrophobicContact CG-CD2 3.53Å; E165-L222 HydrophobicContact CG-CG 3.58Å; M168-L222 HydrophobicContact CE-CD2 3.93Å; M168-L222 HydrophobicContact SD-CD2 3.14Å; M168-L222 WeakPolarHBondContact SD-CD2 3.15Å; R180-L222 PolarHBondContact NH2-OXT 2.7Å; R192-L222 VanDerWaalsContact CD-O 3.29Å; R192-L222 WeakPolarHBondContact CD-O 3.24Å; Y220-L222 VanDerWaalsContact C-N 3.34Å

Retrieved 222 of 222 residues in 550.4 ms (Link to these results)

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