A0A3Q0KKQ4_SCHMA Loading...

Calcium activated potassium channel subunit AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KKQ4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 277 aa.

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(Predicted Aligned Error values between residue pairs)

Download Structure AlphaSync Parameters 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	M	33.3	Very low	30.1	Very low	236 Å²	236	169.4 Å²	169.4	100%	1.163	84%	0.835	S	S	*	*				0	101.9	0	-75.9	166.1	165	0	0	107.8
2	H	35.9	Very low	29.5	Very low	176 Å²	176	164.3 Å²	164.3	82%	0.815	83%	0.828	S	S	*	*			trans	-166.8	90.1	148.6	-97.5	-64.8	0	0	0	105.5
3	N	30.3	Very low	29.5	Very low	150 Å²	150	160.8 Å²	160.8	80%	0.802	83%	0.829	S	S	*	*			trans	-87.7	111.9	170.6	-150.5	16.7	0	0	0	104.7
4	F	35.3	Very low	28.8	Very low	188 Å²	188	160.1 Å²	160.1	83%	0.825	83%	0.827	S	S	*	*			trans	-103.6	102.4	168.6	-98.1	-84.2	0	0	0	107.7
5	T	30.1	Very low	28.5	Very low	103 Å²	103	159 Å²	159	63%	0.632	82%	0.823	S	S	*	*			trans	-68.8	138.7	172	29.5	0	0	0	0	111.8
6	H	28	Very low	28.3	Very low	164 Å²	164	157.6 Å²	157.6	76%	0.759	82%	0.817	S	S	*	*			trans	51.3	118.7	142.3	-74.3	-98.5	0	0	0	119.5
7	E	30.6	Very low	27.9	Very low	201 Å²	201	159.6 Å²	159.6	94%	0.939	82%	0.818	S	S	*	*				-151.3	138.3	121.4	-112.1	172.5	-177.7	0	0	111.4
8	V	25.4	Very low	28	Very low	113 Å²	113	159.7 Å²	159.7	69%	0.685	82%	0.819	S	S	*	*			trans	-93.4	134.4	-174.8	167.4	0	0	0	0	108.3
9	Q	27.8	Very low	27.8	Very low	189 Å²	189	157.4 Å²	157.4	88%	0.883	81%	0.808	S	S	*	*			trans	-134	103.7	159.9	-101	173.8	-22.5	0	0	109.6
10	E	26.4	Very low	27.7	Very low	176 Å²	176	157.6 Å²	157.6	82%	0.822	81%	0.806	S	S	*	*			trans	-68.1	126.7	159.5	-76.6	177	142.4	0	0	109
11	I	27.7	Very low	27.6	Very low	167 Å²	167	157.9 Å²	157.9	86%	0.856	80%	0.804	S	S	*	*			trans	-113.9	96.3	161.2	-59.2	175.7	0	0	0	105.8
12	S	23.3	Very low	27.2	Very low	108 Å²	108	153 Å²	153	76%	0.755	78%	0.783	S	S	*	*			trans	-100	123.4	160.3	62.6	0	0	0	0	107.6
13	S	29.3	Very low	27	Very low	120 Å²	120	152 Å²	152	84%	0.839	78%	0.782	S	S	*	*			trans	-166.3	104.8	142.1	-125.3	0	0	0	0	110
14	N	20.3	Very low	26.9	Very low	151 Å²	151	151 Å²	151	81%	0.807	78%	0.78	S	S	*	*			trans	-63.2	133.7	164.8	-163	12	0	0	0	109.1
15	N	24.3	Very low	26.3	Very low	143 Å²	143	151.4 Å²	151.4	77%	0.765	79%	0.785	S	S	*	*			trans	-165	136.6	151.4	-103.3	-12.9	0	0	0	113.2
16	N	25.4	Very low	26.2	Very low	136 Å²	136	155 Å²	155	73%	0.727	79%	0.794	S	S	*	*			trans	87.3	92.2	152.8	-62.8	-7.4	0	0	0	120.2
17	K	21	Very low	25.9	Very low	193 Å²	193	155.1 Å²	155.1	84%	0.839	79%	0.793	S	S	*	*			trans	-48.5	128	140.7	-161.7	-179.6	-171.7	-172.6	0	111.6
18	I	30.5	Very low	25.7	Very low	161 Å²	161	151.4 Å²	151.4	83%	0.826	78%	0.783	S	S	*	*			trans	-134.4	141.2	159	-63.9	-178.9	0	0	0	107.6
19	N	23.8	Very low	25.7	Very low	116 Å²	116	153.3 Å²	153.3	62%	0.62	79%	0.785	S	S	*	*			trans	-86.7	158.2	-161.9	-53.3	-38.7	0	0	0	114.6
20	E	24.6	Very low	25.3	Very low	161 Å²	161	147.5 Å²	147.5	75%	0.752	78%	0.776	S	S	*	*			trans	30.8	145.3	136.7	-86.7	144	147.2	0	0	125
21	E	26.3	Very low	25.3	Very low	164 Å²	164	147.6 Å²	147.6	77%	0.766	78%	0.78	S	S	*	*			trans	81.3	118.3	151.2	-71	164.7	-175.1	0	0	117.9
22	D	24.8	Very low	25.2	Very low	134 Å²	134	148.1 Å²	148.1	72%	0.717	78%	0.779	S	S	*	*				168.4	159.1	83.4	-120.7	-22.5	0	0	0	115.6
23	I	31.3	Very low	25.6	Very low	155 Å²	155	148.4 Å²	148.4	80%	0.795	78%	0.778	S	S	*	*			trans	84.8	135.3	155.1	-56.6	144	0	0	0	119.3
24	V	28.8	Very low	25.4	Very low	127 Å²	127	150.4 Å²	150.4	77%	0.77	78%	0.779	S	S	*	*			cis	178.3	136.2	-36	143.8	0	0	0	0	104.5
25	E	22.7	Very low	25.9	Very low	198 Å²	198	148.6 Å²	148.6	93%	0.925	78%	0.775	S	S	*	*			trans	-81.9	138.3	171.3	-82.2	176	114.6	0	0	111.5
26	E	27.8	Very low	25.7	Very low	178 Å²	178	151.3 Å²	151.3	83%	0.832	78%	0.776	S	S	*	*			trans	-113.3	122.6	173.8	-169.1	178.2	151.6	0	0	110.9	V28	E26-V28 HydrophobicContact CG-CG2 4.39Å
27	K	21.6	Very low	25.6	Very low	167 Å²	167	149.8 Å²	149.8	73%	0.726	78%	0.776	S	S	*	*			trans	-119.3	130.9	173.5	179.9	-175	179.2	-159.7	0	108.2	E29	K27-E29 WeakPolarHBondContact CE-OE2 3.11Å; K27-E29 IonicContact NZ-OE2 3.9Å; K27-E29 PolarHBondContact NZ-OE2 2.98Å
28	V	27.5	Very low	25.7	Very low	122 Å²	122	146 Å²	146	74%	0.739	77%	0.765	S	S	*	*			trans	-132.9	124.1	172.9	178.1	0	0	0	0	110.8	E26	E26-V28 HydrophobicContact CG-CG2 4.39Å
29	E	23.9	Very low	25.3	Very low	153 Å²	153	145.7 Å²	145.7	72%	0.715	76%	0.76	S	S	*	*			trans	-122.1	144.1	170.9	-80	-179.5	97.1	0	0	110.1	K27	K27-E29 WeakPolarHBondContact CE-OE2 3.11Å; K27-E29 IonicContact NZ-OE2 3.9Å; K27-E29 PolarHBondContact NZ-OE2 2.98Å
30	G	20	Very low	25.2	Very low	68 Å²	68	150.8 Å²	150.8	70%	0.701	77%	0.772	S	S	*	*			trans	100.1	134.8	140.7	0	0	0	0	0	119.5
31	I	25.8	Very low	25.3	Very low	178 Å²	178	148.2 Å²	148.2	91%	0.913	77%	0.772	S	S	*	*				166.5	128.4	124	-78.9	156.2	0	0	0	112.3
32	Q	26.9	Very low	25.3	Very low	178 Å²	178	149.1 Å²	149.1	83%	0.832	78%	0.776	S	S	*	*			trans	-77.5	173.6	165.1	-91.5	177	-39.8	0	0	112.1
33	P	30.3	Very low	25.5	Very low	113 Å²	113	152.9 Å²	152.9	73%	0.734	79%	0.786	S	S	*	*				-162.8	175.3	51.5	40.9	-14.9	0	0	0	121
34	L	25.7	Very low	25.2	Very low	163 Å²	163	152.4 Å²	152.4	85%	0.853	78%	0.784	S	S	*	*			trans	14.5	176.8	143.5	-66	164.1	0	0	0	124.5
35	P	31.4	Very low	25.3	Very low	112 Å²	112	154.4 Å²	154.4	73%	0.727	79%	0.785	S	S	*	*			cis	-142.7	165.9	-45.7	40.6	-22	0	0	0	118.2
36	Y	19.5	Very low	25.6	Very low	201 Å²	201	154.6 Å²	154.6	79%	0.788	79%	0.786	S	S	*	*			trans	39.1	143.1	136	-142	-110.6	0	0	0	129.2
37	S	24.1	Very low	25.6	Very low	103 Å²	103	150.6 Å²	150.6	72%	0.72	78%	0.777	S	S	*	*			trans	99.7	162.6	147.6	77.5	0	0	0	0	121
38	N	22.9	Very low	25.9	Very low	115 Å²	115	151.2 Å²	151.2	62%	0.615	78%	0.782	S	S	*	*				-163.7	155.8	-67.8	-137.2	3.3	0	0	0	108.5
39	Q	21.4	Very low	25.8	Very low	154 Å²	154	149.4 Å²	149.4	72%	0.72	78%	0.775	S	S	*	*			trans	81.8	154	149.2	-77.5	164.5	-68.5	0	0	124.9
40	Y	22.4	Very low	25.9	Very low	222 Å²	222	147.8 Å²	147.8	87%	0.871	78%	0.776	S	S	*	*			trans	87.7	137.4	177.8	-72.3	-92.6	0	0	0	115.6
41	S	26.9	Very low	26.1	Very low	108 Å²	108	150 Å²	150	76%	0.755	78%	0.776	S	S	*	*			cis	-167.8	157.9	15	27	0	0	0	0	109.7
42	Q	26.5	Very low	26.2	Very low	182 Å²	182	149.2 Å²	149.2	85%	0.85	77%	0.774	S	S	*	*			trans	-121.4	132.1	175	-74.4	-174.7	-38	0	0	110.4
43	F	27.5	Very low	26.1	Very low	213 Å²	213	147.9 Å²	147.9	93%	0.934	77%	0.772	S	S	*	*			trans	-166.3	122.8	159.7	-90.6	-75.1	0	0	0	109.9
44	I	25.9	Very low	26.1	Very low	145 Å²	145	150.2 Å²	150.2	74%	0.744	77%	0.772	S	S	*	*			trans	-151.1	127.6	165.2	-40.6	178.1	0	0	0	110.5
45	H	29.8	Very low	26.2	Very low	170 Å²	170	149.4 Å²	149.4	79%	0.787	76%	0.764	S	S	*	*				149.2	117.1	117.8	-96	-70	0	0	0	111.6
46	Q	29.2	Very low	26.1	Very low	202 Å²	202	151.5 Å²	151.5	94%	0.944	76%	0.763	S	S	*	*			trans	-160.2	151.2	153.8	-111.8	170.5	-1.9	0	0	110.1
47	S	29	Very low	26.6	Very low	94 Å²	94	151.1 Å²	151.1	66%	0.657	77%	0.769	S	S	*	*			trans	-145.7	145.3	-167.8	59.2	0	0	0	0	111.7
48	H	28	Very low	26.8	Very low	179 Å²	179	156.4 Å²	156.4	83%	0.829	78%	0.775	S	S	*	*			trans	65.5	143.6	160.2	-66.4	-74.1	0	0	0	117.6
49	S	25.2	Very low	27.4	Very low	85 Å²	85	159.6 Å²	159.6	59%	0.594	79%	0.786	S	S	*	*			cis	-177	165.3	-8.7	47.1	0	0	0	0	108.7
50	T	25.5	Very low	28.1	Very low	118 Å²	118	160.2 Å²	160.2	72%	0.724	79%	0.788	S	S	*	*			trans	76.9	120.1	151	47	0	0	0	0	122.3
51	T	24.4	Very low	28.9	Very low	114 Å²	114	158.8 Å²	158.8	70%	0.699	79%	0.789	S	S	*	*			trans	63.2	109.7	137.1	55.1	0	0	0	0	119.9
52	N	28.1	Very low	29.4	Very low	163 Å²	163	162.7 Å²	162.7	87%	0.872	80%	0.795	S	S	*	*				175.3	162.1	95.2	-100.3	-40	0	0	0	113.2
53	L	23.8	Very low	30	Very low	150 Å²	150	165 Å²	165	79%	0.785	80%	0.796	S	S	*	*			trans	-84.3	124.2	-164.6	-160.2	92.2	0	0	0	112.6
54	H	30.5	Very low	30.6	Very low	161 Å²	161	163.3 Å²	163.3	75%	0.745	79%	0.791	S	S	*	*			trans	179.5	128.3	138.4	-105.8	45.9	0	0	0	114.1
55	H	28.8	Very low	31.7	Very low	147 Å²	147	164.7 Å²	164.7	68%	0.681	79%	0.794	S	S	*	*			trans	50.3	119.6	148.2	-84.9	-69.4	0	0	0	123.6
56	H	28.4	Very low	32.6	Very low	155 Å²	155	164.7 Å²	164.7	72%	0.718	79%	0.794	S	S	*	*			trans	50.3	104	141.6	-71.9	-53.4	0	0	0	119.7
57	Q	30	Very low	33.6	Very low	193 Å²	193	162.7 Å²	162.7	90%	0.902	78%	0.784	S	S	*	*				-175.6	140.6	99.3	-105.6	165.2	-66.9	0	0	111.1
58	Y	28.6	Very low	34.7	Very low	214 Å²	214	165.7 Å²	165.7	84%	0.839	79%	0.788	S	S	*	*			trans	-52.2	136	172.6	-87.1	-113.6	0	0	0	112.4
59	H	35	Very low	35.8	Very low	183 Å²	183	164.4 Å²	164.4	85%	0.847	78%	0.782	S	S	*	*				-169.1	130.4	120.7	-107.9	-78	0	0	0	111.6
60	Q	37.7	Very low	37.2	Very low	166 Å²	166	166.6 Å²	166.6	78%	0.776	78%	0.782	S	S	*	*			trans	-62.8	131	178.9	-65.8	157.1	-54.2	0	0	112
61	H	37.9	Very low	38.5	Very low	193 Å²	193	166.4 Å²	166.4	89%	0.894	77%	0.773	S	S	*	*			trans	-155.8	75	150.2	-102.2	-69.4	0	0	0	110.3
62	H	37.7	Very low	40	Very low	189 Å²	189	166.7 Å²	166.7	88%	0.875	77%	0.766	S	S	*	*			trans	-126.1	105.7	164.2	-90.5	-55.6	0	0	0	108.9
63	R	39	Very low	41.7	Very low	231 Å²	231	163 Å²	163	87%	0.872	75%	0.75	S	S	*	*			trans	167.4	108.1	148	-97.7	-177	-137.8	-165.7	5	107.1
64	H	41.1	Very low	43.7	Very low	178 Å²	178	160.2 Å²	160.2	82%	0.824	73%	0.734	S	S	*	*			trans	177.1	69.5	148	-86.3	-55.1	0	0	0	110.1
65	H	48.2	Very low	44.9	Very low	173 Å²	173	159 Å²	159	80%	0.801	72%	0.723	S	S	*	*	S	Bend	trans	-144.8	-1.5	165.6	-87.2	-54.5	0	0	0	116.5
66	Q	48.9	Very low	46.9	Very low	171 Å²	171	157.9 Å²	157.9	80%	0.799	72%	0.717	S	S	*	*	S	Bend	trans	-86.9	-9.8	-178	-79.7	177.3	-28	0	0	115.7
67	H	50.1	Low	48.9	Very low	159 Å²	159	152.7 Å²	152.7	74%	0.736	71%	0.705	S	S	*	*	H	α-helix	trans	-83.7	-25	-175.5	-80.6	-74.9	0	0	0	115.4
68	H	51.3	Low	50.9	Low	157 Å²	157	149.1 Å²	149.1	73%	0.727	68%	0.683	S	S	*	*	H	α-helix	trans	-75.4	-34.8	-175.6	-82.4	-75.4	0	0	0	114.1	H72	H68-H72 PolarHBondContact O-N 2.68Å
69	H	52.3	Low	53.2	Low	153 Å²	153	144.9 Å²	144.9	71%	0.708	67%	0.671	S	S	*	*	H	α-helix	trans	-71.6	-33.2	-179.3	-78.1	-76.9	0	0	0	113.5	T73	H69-T73 WeakPolarHBondContact O-CG2 3.36Å; H69-T73 PolarHBondContact O-N 3.16Å; H69-T73 PolarHBondContact O-OG1 2.79Å; H69-T73 VanDerWaalsContact O-OG1 3.05Å
70	H	54.6	Low	55.3	Low	130 Å²	130	141.4 Å²	141.4	60%	0.602	66%	0.655	S	S	*	*	H	α-helix	trans	-69.6	-37.6	176.7	-85.4	-67	0	0	0	112.6	T73 I74	H70-T73 WeakPolarHBondContact CA-OG1 3.15Å; H70-T73 PolarHBondContact O-OG1 3.45Å; H70-I74 WeakPolarHBondContact O-CD1 3.21Å; H70-I74 VanDerWaalsContact O-CG1 3.22Å; H70-I74 WeakPolarHBondContact O-CG1 3.49Å; H70-I74 PolarHBondContact O-N 3.2Å; H70-I74 VanDerWaalsContact O-N 3.17Å
71	H	51.8	Low	57.4	Low	115 Å²	115	140.6 Å²	140.6	53%	0.532	65%	0.649	S	S	.	*	H	α-helix	trans	-66.9	-42.1	178.9	-145.4	-110.4	0	0	0	111.2	T73 I74 W75	H71-T73 PolarHBondContact O-N 3.16Å; H71-I74 PolarHBondContact O-N 3.11Å; H71-W75 AromaticContact CE1-CD1 3.8Å; H71-W75 AromaticContact CE1-NE1 3.11Å; H71-W75 PolarHBondContact CE1-NE1 3.35Å; H71-W75 AromaticContact ND1-CD1 3.56Å; H71-W75 AromaticContact ND1-NE1 3.31Å; H71-W75 PolarHBondContact ND1-NE1 3.02Å; H71-W75 AromaticContact NE2-NE1 3.84Å; H71-W75 PolarHBondContact O-N 2.89Å
72	H	57.5	Low	59.5	Low	119 Å²	119	139 Å²	139	55%	0.551	64%	0.636	S	S	*	*	H	α-helix	trans	-67.6	-32.9	-178.7	-154.1	-90.3	0	0	0	113.5	H68 K76	H68-H72 PolarHBondContact O-N 2.68Å; H72-K76 WeakPolarHBondContact CE1-CE 3.39Å; H72-K76 WeakPolarHBondContact O-CG 3.27Å; H72-K76 PolarHBondContact O-N 2.86Å
73	T	63.9	Low	61.8	Low	87 Å²	87	135.5 Å²	135.5	53%	0.534	62%	0.62	S	S	.	*	H	α-helix	trans	-72.4	-41.2	175.7	48.8	0	0	0	0	112.1	H69 H70 H71 W75 K76 G77	H69-T73 WeakPolarHBondContact O-CG2 3.36Å; H69-T73 PolarHBondContact O-N 3.16Å; H69-T73 PolarHBondContact O-OG1 2.79Å; H69-T73 VanDerWaalsContact O-OG1 3.05Å; H70-T73 WeakPolarHBondContact CA-OG1 3.15Å; H70-T73 PolarHBondContact O-OG1 3.45Å; H71-T73 PolarHBondContact O-N 3.16Å; T73-W75 VanDerWaalsContact C-N 3.35Å; T73-W75 PolarHBondContact O-N 2.97Å; T73-K76 PolarHBondContact O-N 2.94Å; T73-G77 PolarHBondContact O-N 3.39Å
74	I	64.5	Low	64	Low	90 Å²	90	126.4 Å²	126.4	46%	0.462	59%	0.587	S	S	.	*	H	α-helix	trans	-63.6	-38.5	175.8	-66.8	166.7	0	0	0	111.7	H70 H71 R78	H70-I74 WeakPolarHBondContact O-CD1 3.21Å; H70-I74 VanDerWaalsContact O-CG1 3.22Å; H70-I74 WeakPolarHBondContact O-CG1 3.49Å; H70-I74 PolarHBondContact O-N 3.2Å; H70-I74 VanDerWaalsContact O-N 3.17Å; H71-I74 PolarHBondContact O-N 3.11Å; I74-R78 PolarHBondContact O-N 3.27Å; I74-R78 VanDerWaalsContact O-N 3.14Å
75	W	56.2	Low	66.2	Low	135 Å²	135	121 Å²	121	51%	0.511	57%	0.567	S	S	.	*	H	α-helix	trans	-67.8	-45.2	176.8	-85.4	74.3	0	0	0	112.6	H71 T73 G77 R78 Q79	H71-W75 AromaticContact CE1-CD1 3.8Å; H71-W75 AromaticContact CE1-NE1 3.11Å; H71-W75 PolarHBondContact CE1-NE1 3.35Å; H71-W75 AromaticContact ND1-CD1 3.56Å; H71-W75 AromaticContact ND1-NE1 3.31Å; H71-W75 PolarHBondContact ND1-NE1 3.02Å; H71-W75 AromaticContact NE2-NE1 3.84Å; H71-W75 PolarHBondContact O-N 2.89Å; T73-W75 VanDerWaalsContact C-N 3.35Å; T73-W75 PolarHBondContact O-N 2.97Å; W75-G77 PolarHBondContact O-N 3.22Å; W75-R78 PolarHBondContact O-N 3.16Å; W75-Q79 WeakPolarHBondContact O-CG 3.4Å; W75-Q79 PolarHBondContact O-N 2.87Å
76	K	69.5	Low	68.2	Low	125 Å²	125	116.1 Å²	116.1	54%	0.543	55%	0.551	S	S	.	*	H	α-helix	trans	-61	-42.9	175.4	-77	-177.5	171.2	179.2	0	112.6	H72 T73 R78 Q79 H80	H72-K76 WeakPolarHBondContact CE1-CE 3.39Å; H72-K76 WeakPolarHBondContact O-CG 3.27Å; H72-K76 PolarHBondContact O-N 2.86Å; T73-K76 PolarHBondContact O-N 2.94Å; K76-R78 PolarHBondContact O-N 2.03Å; K76-Q79 PolarHBondContact O-N 3.34Å; K76-H80 PolarHBondContact O-N 2.93Å
77	G	70.5	Confident	70.1	Confident	45 Å²	45	108.8 Å²	108.8	46%	0.464	52%	0.517	S	S	.	.	H	α-helix	trans	-63	-39.9	177.6	0	0	0	0	0	112.9	T73 W75 H80 K81	T73-G77 PolarHBondContact O-N 3.39Å; W75-G77 PolarHBondContact O-N 3.22Å; G77-H80 PolarHBondContact O-N 3.26Å; G77-K81 PolarHBondContact O-N 2.87Å
78	R	73.2	Confident	72	Confident	118 Å²	118	102.6 Å²	102.6	45%	0.445	49%	0.488	S	S	.	.	H	α-helix	trans	-63.8	-47.1	173	-79.3	-171.9	-76	173.3	-3	111.8	I74 W75 K76 H80 K81 Y82	I74-R78 PolarHBondContact O-N 3.27Å; I74-R78 VanDerWaalsContact O-N 3.14Å; W75-R78 PolarHBondContact O-N 3.16Å; K76-R78 PolarHBondContact O-N 2.03Å; R78-H80 VanDerWaalsContact C-N 3.31Å; R78-H80 PolarHBondContact O-N 2.86Å; R78-K81 PolarHBondContact O-N 2.82Å; R78-Y82 HydrophobicContact CB-CE2 4.21Å; R78-Y82 WeakPolarHBondContact O-CD2 3.45Å; R78-Y82 PolarHBondContact O-N 2.85Å; R78-Y82 VanDerWaalsContact O-N 3.07Å
79	Q	77.5	Confident	74	Confident	126 Å²	126	99.7 Å²	99.7	59%	0.589	48%	0.478	S	S	*	.	H	α-helix	trans	-58.4	-41.1	177.6	-74.3	-176.8	-36.4	0	0	112.6	W75 K76 Y82 H83	W75-Q79 WeakPolarHBondContact O-CG 3.4Å; W75-Q79 PolarHBondContact O-N 2.87Å; K76-Q79 PolarHBondContact O-N 3.34Å; Q79-Y82 PolarHBondContact O-N 3.29Å; Q79-H83 WeakPolarHBondContact O-CB 3.32Å; Q79-H83 PolarHBondContact O-N 2.94Å
80	H	79.1	Confident	75.9	Confident	110 Å²	110	95.5 Å²	95.5	51%	0.509	46%	0.46	S	S	.	.	H	α-helix	trans	-59.9	-47.3	176.1	-163.2	-91.4	0	0	0	111.9	K76 G77 R78 Y82 H83 E84	K76-H80 PolarHBondContact O-N 2.93Å; G77-H80 PolarHBondContact O-N 3.26Å; R78-H80 VanDerWaalsContact C-N 3.31Å; R78-H80 PolarHBondContact O-N 2.86Å; H80-Y82 PolarHBondContact O-N 2.97Å; H80-H83 WeakPolarHBondContact O-CB 3.38Å; H80-H83 PolarHBondContact O-N 2.96Å; H80-E84 IonicContact CE1-OE1 2.83Å; H80-E84 PolarHBondContact CE1-OE1 2.84Å; H80-E84 IonicContact ND1-OE1 2.75Å; H80-E84 PolarHBondContact ND1-OE1 3.08Å; H80-E84 PolarHBondContact O-N 3.46Å
81	K	80.5	Confident	77.7	Confident	148 Å²	148	90.7 Å²	90.7	64%	0.643	44%	0.437	S	S	*	.	H	α-helix	trans	-62.6	-39.5	178.9	-169.6	172.8	-176.6	174	0	112.7	G77 R78 T85	G77-K81 PolarHBondContact O-N 2.87Å; R78-K81 PolarHBondContact O-N 2.82Å; K81-T85 WeakPolarHBondContact O-CB 3.05Å; K81-T85 PolarHBondContact O-N 3.5Å; K81-T85 VanDerWaalsContact O-N 3.1Å; K81-T85 PolarHBondContact O-OG1 2.88Å
82	Y	82.7	Confident	79.6	Confident	161 Å²	161	89.8 Å²	89.8	63%	0.631	44%	0.435	S	S	*	.	H	α-helix	trans	-65.5	-42.5	174.4	-71.6	-67.1	0	0	0	111.7	R78 Q79 H80 T85 C86	R78-Y82 HydrophobicContact CB-CE2 4.21Å; R78-Y82 WeakPolarHBondContact O-CD2 3.45Å; R78-Y82 PolarHBondContact O-N 2.85Å; R78-Y82 VanDerWaalsContact O-N 3.07Å; Q79-Y82 PolarHBondContact O-N 3.29Å; H80-Y82 PolarHBondContact O-N 2.97Å; Y82-T85 PolarHBondContact O-N 2.63Å; Y82-C86 WeakPolarHBondContact O-CB 3.07Å; Y82-C86 PolarHBondContact O-N 2.92Å; Y82-C86 PolarHBondContact O-SG 2.9Å
83	H	85.7	Confident	81.4	Confident	115 Å²	115	87.3 Å²	87.3	53%	0.532	43%	0.429	S	S	.	.	H	α-helix	trans	-60.4	-48.1	178.4	-178.8	-97.4	0	0	0	112.2	Q79 H80 T85 C86 I87	Q79-H83 WeakPolarHBondContact O-CB 3.32Å; Q79-H83 PolarHBondContact O-N 2.94Å; H80-H83 WeakPolarHBondContact O-CB 3.38Å; H80-H83 PolarHBondContact O-N 2.96Å; H83-T85 VanDerWaalsContact C-N 3.34Å; H83-T85 PolarHBondContact O-N 2.92Å; H83-C86 PolarHBondContact O-N 3.39Å; H83-I87 WeakPolarHBondContact CE1-CD1 2.9Å; H83-I87 WeakPolarHBondContact O-CG1 3.37Å; H83-I87 PolarHBondContact O-N 2.82Å
84	E	85.7	Confident	82.8	Confident	39 Å²	39	83.7 Å²	83.7	18%	0.182	41%	0.407	C	S	.	.	H	α-helix	trans	-59.1	-44.1	174.6	-70.7	175	-163.3	0	0	112.2	H80 I87 K88 V268	H80-E84 IonicContact CE1-OE1 2.83Å; H80-E84 PolarHBondContact CE1-OE1 2.84Å; H80-E84 IonicContact ND1-OE1 2.75Å; H80-E84 PolarHBondContact ND1-OE1 3.08Å; H80-E84 PolarHBondContact O-N 3.46Å; E84-I87 PolarHBondContact O-N 3.34Å; E84-K88 WeakPolarHBondContact O-CG 3.46Å; E84-K88 PolarHBondContact O-N 2.91Å; E84-V268 HydrophobicContact CB-CG2 3.66Å; E84-V268 HydrophobicContact CG-CG2 3.85Å
85	T	87.4	Confident	84.2	Confident	65 Å²	65	82.3 Å²	82.3	40%	0.399	41%	0.405	S	S	.	.	H	α-helix	trans	-63.7	-44	179.7	-54.5	0	0	0	0	110.9	K81 Y82 H83 I87 K88 L89	K81-T85 WeakPolarHBondContact O-CB 3.05Å; K81-T85 PolarHBondContact O-N 3.5Å; K81-T85 VanDerWaalsContact O-N 3.1Å; K81-T85 PolarHBondContact O-OG1 2.88Å; Y82-T85 PolarHBondContact O-N 2.63Å; H83-T85 VanDerWaalsContact C-N 3.34Å; H83-T85 PolarHBondContact O-N 2.92Å; T85-I87 PolarHBondContact O-N 3.47Å; T85-K88 PolarHBondContact O-N 3.5Å; T85-L89 HydrophobicContact CG2-CD1 4.25Å; T85-L89 VanDerWaalsContact O-CG 3.28Å; T85-L89 WeakPolarHBondContact O-CG 3.41Å; T85-L89 PolarHBondContact O-N 2.81Å
86	C	89.4	Confident	86.1	Confident	70 Å²	70	79.6 Å²	79.6	47%	0.473	40%	0.403	S	S	.	.	H	α-helix	trans	-60.8	-44.1	176.4	-71	0	0	0	0	111.9	Y82 H83 L89 I90	Y82-C86 WeakPolarHBondContact O-CB 3.07Å; Y82-C86 PolarHBondContact O-N 2.92Å; Y82-C86 PolarHBondContact O-SG 2.9Å; H83-C86 PolarHBondContact O-N 3.39Å; C86-L89 PolarHBondContact O-N 1.98Å; C86-I90 VanDerWaalsContact O-CG1 3.27Å; C86-I90 WeakPolarHBondContact O-CG1 3.46Å; C86-I90 PolarHBondContact O-N 3.26Å
87	I	88.8	Confident	87.2	Confident	18 Å²	18	77.3 Å²	77.3	9%	0.092	40%	0.396	C	S	.	.	H	α-helix	trans	-62.5	-46.3	177.3	-71.1	176.5	0	0	0	110.8	H83 E84 T85 L89 I90 Y91 T260 V268	H83-I87 WeakPolarHBondContact CE1-CD1 2.9Å; H83-I87 WeakPolarHBondContact O-CG1 3.37Å; H83-I87 PolarHBondContact O-N 2.82Å; E84-I87 PolarHBondContact O-N 3.34Å; T85-I87 PolarHBondContact O-N 3.47Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 2.73Å; I87-I90 PolarHBondContact O-N 3.48Å; I87-I90 VanDerWaalsContact O-N 3.16Å; I87-Y91 HydrophobicContact CG2-CD2 3.69Å; I87-Y91 HydrophobicContact CG2-CE2 3.52Å; I87-Y91 VanDerWaalsContact O-CD2 3.28Å; I87-Y91 WeakPolarHBondContact O-CD2 3.43Å; I87-Y91 PolarHBondContact O-N 3.24Å; I87-T260 HydrophobicContact CG2-CG2 3.98Å; I87-V268 HydrophobicContact CB-CG2 4.37Å; I87-V268 HydrophobicContact CG2-CB 4.23Å; I87-V268 HydrophobicContact CG2-CG1 4.08Å; I87-V268 HydrophobicContact CG2-CG2 4.29Å
88	K	90.8	Very high	88.4	Confident	28 Å²	28	77.2 Å²	77.2	12%	0.122	39%	0.385	C	S	.	.	H	α-helix	trans	-57.1	-44.4	175.6	-74.5	172.4	176.6	170.2	0	111.6	E84 T85 I90 Y91 L92 V268 W269 E272	E84-K88 WeakPolarHBondContact O-CG 3.46Å; E84-K88 PolarHBondContact O-N 2.91Å; T85-K88 PolarHBondContact O-N 3.5Å; K88-I90 PolarHBondContact O-N 2.96Å; K88-Y91 PolarHBondContact O-N 3.22Å; K88-L92 WeakPolarHBondContact O-CG 3.07Å; K88-L92 PolarHBondContact O-N 2.81Å; K88-V268 HydrophobicContact CD-CG2 4.47Å; K88-V268 WeakPolarHBondContact CE-O 3.46Å; K88-V268 HydrophobicContact CG-CG1 3.71Å; K88-V268 HydrophobicContact CG-CG2 4.09Å; K88-V268 PolarHBondContact NZ-O 3.48Å; K88-W269 HydrophobicContact CG-CZ2 4.48Å; K88-E272 IonicContact NZ-OE1 2.66Å; K88-E272 PolarHBondContact NZ-OE1 3.43Å
89	L	92.9	Very high	89.4	Confident	97 Å²	97	74.9 Å²	74.9	51%	0.508	38%	0.384	S	S	.	.	H	α-helix	trans	-63.5	-40.1	176.7	-70.3	173.7	0	0	0	112.4	T85 C86 I87 L92 T93	T85-L89 HydrophobicContact CG2-CD1 4.25Å; T85-L89 VanDerWaalsContact O-CG 3.28Å; T85-L89 WeakPolarHBondContact O-CG 3.41Å; T85-L89 PolarHBondContact O-N 2.81Å; C86-L89 PolarHBondContact O-N 1.98Å; I87-L89 VanDerWaalsContact C-N 3.31Å; I87-L89 PolarHBondContact O-N 2.73Å; L89-L92 PolarHBondContact O-N 3Å; L89-T93 WeakPolarHBondContact O-CB 3.41Å; L89-T93 VanDerWaalsContact O-CG2 3.27Å; L89-T93 WeakPolarHBondContact O-CG2 3.28Å; L89-T93 PolarHBondContact O-N 2.8Å; L89-T93 PolarHBondContact O-OG1 2.97Å
90	I	91.8	Very high	90.2	Very high	65 Å²	65	72.5 Å²	72.5	33%	0.333	38%	0.378	S	S	.	.	H	α-helix	trans	-61.8	-46.1	175.7	-69.2	163.2	0	0	0	110.7	C86 I87 K88 L92 T93 C94	C86-I90 VanDerWaalsContact O-CG1 3.27Å; C86-I90 WeakPolarHBondContact O-CG1 3.46Å; C86-I90 PolarHBondContact O-N 3.26Å; I87-I90 PolarHBondContact O-N 3.48Å; I87-I90 VanDerWaalsContact O-N 3.16Å; K88-I90 PolarHBondContact O-N 2.96Å; I90-L92 PolarHBondContact O-N 2.95Å; I90-T93 WeakPolarHBondContact CA-OG1 3.38Å; I90-T93 PolarHBondContact O-OG1 2.82Å; I90-T93 VanDerWaalsContact O-OG1 3.09Å; I90-C94 VanDerWaalsContact O-CB 3.3Å; I90-C94 WeakPolarHBondContact O-CB 3.29Å; I90-C94 PolarHBondContact O-N 2.82Å; I90-C94 PolarHBondContact O-SG 3.3Å
91	Y	92.1	Very high	91	Very high	29 Å²	29	68.1 Å²	68.1	11%	0.114	36%	0.359	C	S	.	.	H	α-helix	trans	-59.2	-48.1	176.8	-85.5	-71.4	0	0	0	112.2	I87 K88 S95 L257 T260 W261	I87-Y91 HydrophobicContact CG2-CD2 3.69Å; I87-Y91 HydrophobicContact CG2-CE2 3.52Å; I87-Y91 VanDerWaalsContact O-CD2 3.28Å; I87-Y91 WeakPolarHBondContact O-CD2 3.43Å; I87-Y91 PolarHBondContact O-N 3.24Å; K88-Y91 PolarHBondContact O-N 3.22Å; Y91-S95 WeakPolarHBondContact O-CB 3.48Å; Y91-S95 PolarHBondContact O-N 3.23Å; Y91-L257 HydrophobicContact CD1-CD2 3.53Å; Y91-L257 HydrophobicContact CE1-CD2 4.06Å; Y91-L257 HydrophobicContact CG-CD2 4.33Å; Y91-T260 HydrophobicContact CD2-CG2 4.13Å; Y91-T260 HydrophobicContact CE1-CG2 4.43Å; Y91-T260 HydrophobicContact CE2-CG2 3.49Å; Y91-T260 VanDerWaalsContact CE2-CG2 3.49Å; Y91-T260 PolarHBondContact OH-O 2.89Å; Y91-W261 WeakPolarHBondContact OH-CA 3.44Å; Y91-W261 PolarHBondContact OH-N 2.77Å
92	L	93	Very high	91.6	Very high	95 Å²	95	66.5 Å²	66.5	50%	0.497	35%	0.353	S	S	.	.	H	α-helix	trans	-64.9	-49.4	-178.7	-68.9	175.4	0	0	0	111.5	K88 L89 I90 S95 T96 W269	K88-L92 WeakPolarHBondContact O-CG 3.07Å; K88-L92 PolarHBondContact O-N 2.81Å; L89-L92 PolarHBondContact O-N 3Å; I90-L92 PolarHBondContact O-N 2.95Å; L92-S95 PolarHBondContact O-N 3.4Å; L92-T96 WeakPolarHBondContact O-CG2 3.46Å; L92-T96 PolarHBondContact O-N 3.24Å; L92-T96 PolarHBondContact O-OG1 2.82Å; L92-W269 HydrophobicContact CD2-CH2 4.49Å
93	T	94.1	Very high	92.2	Very high	68 Å²	68	63.5 Å²	63.5	42%	0.417	35%	0.346	S	S	.	.	H	α-helix	trans	-61.4	-47.7	179.7	51.8	0	0	0	0	111.7	L89 I90 S95 T96 I97	L89-T93 WeakPolarHBondContact O-CB 3.41Å; L89-T93 VanDerWaalsContact O-CG2 3.27Å; L89-T93 WeakPolarHBondContact O-CG2 3.28Å; L89-T93 PolarHBondContact O-N 2.8Å; L89-T93 PolarHBondContact O-OG1 2.97Å; I90-T93 WeakPolarHBondContact CA-OG1 3.38Å; I90-T93 PolarHBondContact O-OG1 2.82Å; I90-T93 VanDerWaalsContact O-OG1 3.09Å; T93-S95 PolarHBondContact O-N 3.17Å; T93-T96 WeakPolarHBondContact CA-OG1 3.14Å; T93-T96 PolarHBondContact O-N 3.39Å; T93-T96 PolarHBondContact O-OG1 3.3Å; T93-I97 VanDerWaalsContact O-CG1 3.28Å; T93-I97 WeakPolarHBondContact O-CG1 3.38Å; T93-I97 PolarHBondContact O-N 3.47Å
94	C	93.9	Very high	92.5	Very high	11 Å²	11	62.3 Å²	62.3	7%	0.074	34%	0.343	C	S	.	.	H	α-helix	trans	-63.2	-41.2	177.2	-65.6	0	0	0	0	112.1	I90 T96 I97 I98 S253 L257	I90-C94 VanDerWaalsContact O-CB 3.3Å; I90-C94 WeakPolarHBondContact O-CB 3.29Å; I90-C94 PolarHBondContact O-N 2.82Å; I90-C94 PolarHBondContact O-SG 3.3Å; C94-T96 PolarHBondContact O-N 2.77Å; C94-I97 PolarHBondContact O-N 2.84Å; C94-I98 VanDerWaalsContact O-CG1 3.31Å; C94-I98 WeakPolarHBondContact O-CG1 3.07Å; C94-I98 PolarHBondContact O-N 3.14Å; C94-S253 WeakPolarHBondContact CA-OG 3.42Å; C94-S253 WeakPolarHBondContact CB-OG 3.42Å; C94-S253 PolarHBondContact O-OG 3.49Å; C94-L257 HydrophobicContact CB-CD1 4.03Å; C94-L257 HydrophobicContact CB-CD2 3.48Å; C94-L257 VanDerWaalsContact CB-CD2 3.48Å; C94-L257 HydrophobicContact CB-CG 3.52Å
95	S	93.6	Very high	92.8	Very high	61 Å²	61	61.8 Å²	61.8	43%	0.427	34%	0.341	S	S	.	.	H	α-helix	trans	-61.4	-43.1	175.8	-176.5	0	0	0	0	112.2	Y91 L92 T93 I98 T99	Y91-S95 WeakPolarHBondContact O-CB 3.48Å; Y91-S95 PolarHBondContact O-N 3.23Å; L92-S95 PolarHBondContact O-N 3.4Å; T93-S95 PolarHBondContact O-N 3.17Å; S95-I98 PolarHBondContact O-N 3.22Å; S95-T99 WeakPolarHBondContact O-CG2 3.13Å; S95-T99 PolarHBondContact O-N 3.3Å; S95-T99 PolarHBondContact O-OG1 2.82Å
96	T	95.2	Very high	93	Very high	77 Å²	77	60.8 Å²	60.8	47%	0.472	34%	0.336	S	S	.	.	H	α-helix	trans	-65.7	-36.9	175.7	58.1	0	0	0	0	112.8	L92 T93 C94 T99 T100	L92-T96 WeakPolarHBondContact O-CG2 3.46Å; L92-T96 PolarHBondContact O-N 3.24Å; L92-T96 PolarHBondContact O-OG1 2.82Å; T93-T96 WeakPolarHBondContact CA-OG1 3.14Å; T93-T96 PolarHBondContact O-N 3.39Å; T93-T96 PolarHBondContact O-OG1 3.3Å; C94-T96 PolarHBondContact O-N 2.77Å; T96-T99 WeakPolarHBondContact CA-OG1 3.31Å; T96-T99 PolarHBondContact O-OG1 2.93Å; T96-T100 VanDerWaalsContact O-CB 3.24Å; T96-T100 WeakPolarHBondContact O-CB 3.35Å; T96-T100 PolarHBondContact O-N 2.87Å; T96-T100 PolarHBondContact O-OG1 3.44Å
97	I	94.2	Very high	93.2	Very high	78 Å²	78	61.9 Å²	61.9	40%	0.4	34%	0.336	S	S	.	.	H	α-helix	trans	-65.3	-49	175.5	-70.7	166.3	0	0	0	110	T93 C94 T99 T100 C101	T93-I97 VanDerWaalsContact O-CG1 3.28Å; T93-I97 WeakPolarHBondContact O-CG1 3.38Å; T93-I97 PolarHBondContact O-N 3.47Å; C94-I97 PolarHBondContact O-N 2.84Å; I97-T99 PolarHBondContact O-N 2.8Å; I97-T100 PolarHBondContact O-N 3.04Å; I97-C101 VanDerWaalsContact O-CB 3.23Å; I97-C101 WeakPolarHBondContact O-CB 3.35Å; I97-C101 PolarHBondContact O-N 3.17Å; I97-C101 PolarHBondContact O-SG 2.83Å
98	I	94.9	Very high	93.2	Very high	42 Å²	42	62.8 Å²	62.8	22%	0.215	34%	0.341	C	S	.	.	H	α-helix	trans	-58.6	-49.2	179.1	-70	167.6	0	0	0	111	C94 S95 C101 F102 S253 L257	C94-I98 VanDerWaalsContact O-CG1 3.31Å; C94-I98 WeakPolarHBondContact O-CG1 3.07Å; C94-I98 PolarHBondContact O-N 3.14Å; S95-I98 PolarHBondContact O-N 3.22Å; I98-C101 PolarHBondContact O-N 2.66Å; I98-F102 VanDerWaalsContact O-CB 3.26Å; I98-F102 WeakPolarHBondContact O-CB 3.14Å; I98-F102 PolarHBondContact O-N 3.21Å; I98-S253 WeakPolarHBondContact CG1-OG 3.24Å; I98-L257 HydrophobicContact CD1-CD1 3.44Å; I98-L257 VanDerWaalsContact CD1-CD1 3.44Å; I98-L257 HydrophobicContact CD1-CG 4.36Å
99	T	94.9	Very high	93	Very high	70 Å²	70	63.9 Å²	63.9	43%	0.429	35%	0.347	S	S	.	.	H	α-helix	trans	-63	-44.2	-179.5	48.9	0	0	0	0	111.7	S95 T96 I97 F102 I103	S95-T99 WeakPolarHBondContact O-CG2 3.13Å; S95-T99 PolarHBondContact O-N 3.3Å; S95-T99 PolarHBondContact O-OG1 2.82Å; T96-T99 WeakPolarHBondContact CA-OG1 3.31Å; T96-T99 PolarHBondContact O-OG1 2.93Å; I97-T99 PolarHBondContact O-N 2.8Å; T99-F102 PolarHBondContact O-N 2.91Å; T99-I103 WeakPolarHBondContact O-CD1 3.46Å; T99-I103 VanDerWaalsContact O-CG1 3.23Å; T99-I103 WeakPolarHBondContact O-CG1 3.47Å; T99-I103 PolarHBondContact O-N 3.17Å; T99-I103 VanDerWaalsContact O-N 3.07Å
100	T	94.6	Very high	92.8	Very high	76 Å²	76	65.4 Å²	65.4	47%	0.466	35%	0.352	S	S	.	.	H	α-helix	trans	-65.7	-45.9	177.9	-55.5	0	0	0	0	111.8	T96 I97 F102 I103 I104	T96-T100 VanDerWaalsContact O-CB 3.24Å; T96-T100 WeakPolarHBondContact O-CB 3.35Å; T96-T100 PolarHBondContact O-N 2.87Å; T96-T100 PolarHBondContact O-OG1 3.44Å; I97-T100 PolarHBondContact O-N 3.04Å; T100-F102 PolarHBondContact O-N 3.37Å; T100-I103 PolarHBondContact O-N 3.29Å; T100-I104 HydrophobicContact CG2-CD1 3.82Å; T100-I104 HydrophobicContact CG2-CG1 4.48Å; T100-I104 WeakPolarHBondContact O-CB 3.36Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 3.14Å; T100-I104 PolarHBondContact O-N 3.28Å
101	C	94.3	Very high	92.5	Very high	17 Å²	17	68 Å²	68	12%	0.115	37%	0.366	C	S	.	.	H	α-helix	trans	-61.1	-43.7	177	-74.2	0	0	0	0	111.8	I97 I98 I104 E105 L250	I97-C101 VanDerWaalsContact O-CB 3.23Å; I97-C101 WeakPolarHBondContact O-CB 3.35Å; I97-C101 PolarHBondContact O-N 3.17Å; I97-C101 PolarHBondContact O-SG 2.83Å; I98-C101 PolarHBondContact O-N 2.66Å; C101-I104 PolarHBondContact O-N 3.11Å; C101-E105 VanDerWaalsContact O-CB 3.29Å; C101-E105 WeakPolarHBondContact O-CB 3.38Å; C101-E105 PolarHBondContact O-N 3.1Å; C101-L250 HydrophobicContact CB-CB 4.46Å
102	F	93.9	Very high	92.2	Very high	115 Å²	115	67.6 Å²	67.6	50%	0.504	37%	0.366	S	S	.	.	H	α-helix	trans	-62.8	-43	177.9	-179.3	-102.4	0	0	0	112.3	I98 T99 T100 E105 C106 L250	I98-F102 VanDerWaalsContact O-CB 3.26Å; I98-F102 WeakPolarHBondContact O-CB 3.14Å; I98-F102 PolarHBondContact O-N 3.21Å; T99-F102 PolarHBondContact O-N 2.91Å; T100-F102 PolarHBondContact O-N 3.37Å; F102-E105 PolarHBondContact O-N 2.89Å; F102-C106 WeakPolarHBondContact O-CB 3.37Å; F102-C106 PolarHBondContact O-N 3.16Å; F102-C106 PolarHBondContact O-SG 3.2Å; F102-L250 HydrophobicContact CB-CD1 4.2Å; F102-L250 HydrophobicContact CD2-CD1 4.44Å
103	I	95.1	Very high	91.7	Very high	98 Å²	98	67.3 Å²	67.3	50%	0.503	36%	0.364	S	S	.	.	H	α-helix	trans	-62.9	-47.1	176.1	-67.8	164.9	0	0	0	110.5	T99 T100 E105 C106 I107	T99-I103 WeakPolarHBondContact O-CD1 3.46Å; T99-I103 VanDerWaalsContact O-CG1 3.23Å; T99-I103 WeakPolarHBondContact O-CG1 3.47Å; T99-I103 PolarHBondContact O-N 3.17Å; T99-I103 VanDerWaalsContact O-N 3.07Å; T100-I103 PolarHBondContact O-N 3.29Å; I103-E105 VanDerWaalsContact C-N 3.34Å; I103-E105 PolarHBondContact O-N 2.04Å; I103-C106 PolarHBondContact O-N 3.44Å; I103-I107 HydrophobicContact CG2-CD1 3.86Å; I103-I107 WeakPolarHBondContact O-CG1 3.5Å; I103-I107 PolarHBondContact O-N 2.97Å
104	I	92.5	Very high	91.2	Very high	89 Å²	89	70.2 Å²	70.2	46%	0.456	38%	0.376	S	S	.	.	H	α-helix	trans	-60.2	-45.1	177.5	-69.7	169.3	0	0	0	110.6	T100 C101 C106 I107 L108	T100-I104 HydrophobicContact CG2-CD1 3.82Å; T100-I104 HydrophobicContact CG2-CG1 4.48Å; T100-I104 WeakPolarHBondContact O-CB 3.36Å; T100-I104 VanDerWaalsContact O-CG1 3.27Å; T100-I104 WeakPolarHBondContact O-CG1 3.14Å; T100-I104 PolarHBondContact O-N 3.28Å; C101-I104 PolarHBondContact O-N 3.11Å; I104-C106 PolarHBondContact O-N 3.3Å; I104-I107 PolarHBondContact O-N 3.44Å; I104-L108 WeakPolarHBondContact O-CB 3.49Å; I104-L108 PolarHBondContact O-N 2.96Å
105	E	91.5	Very high	90.6	Very high	29 Å²	29	70.2 Å²	70.2	14%	0.136	38%	0.376	C	S	.	.	H	α-helix	trans	-60.1	-46.3	178	-174.1	180	-176.3	0	0	111	C101 F102 I103 I107 L108 I109	C101-E105 VanDerWaalsContact O-CB 3.29Å; C101-E105 WeakPolarHBondContact O-CB 3.38Å; C101-E105 PolarHBondContact O-N 3.1Å; F102-E105 PolarHBondContact O-N 2.89Å; I103-E105 VanDerWaalsContact C-N 3.34Å; I103-E105 PolarHBondContact O-N 2.04Å; E105-I107 PolarHBondContact O-N 3.09Å; E105-L108 PolarHBondContact O-N 3.45Å; E105-I109 HydrophobicContact CG-CD1 3.78Å; E105-I109 HydrophobicContact CG-CG1 4.32Å; E105-I109 VanDerWaalsContact O-CB 3.26Å; E105-I109 WeakPolarHBondContact O-CB 3.33Å; E105-I109 WeakPolarHBondContact O-CG1 2.97Å; E105-I109 PolarHBondContact O-N 3.4Å
106	C	92	Very high	90	Very high	44 Å²	44	68.7 Å²	68.7	30%	0.297	37%	0.365	S	S	.	.	H	α-helix	trans	-60	-45.5	176.3	-74.3	0	0	0	0	112.4	F102 I103 I104 H110	F102-C106 WeakPolarHBondContact O-CB 3.37Å; F102-C106 PolarHBondContact O-N 3.16Å; F102-C106 PolarHBondContact O-SG 3.2Å; I103-C106 PolarHBondContact O-N 3.44Å; I104-C106 PolarHBondContact O-N 3.3Å; C106-H110 PolarHBondContact O-CD2 3.31Å; C106-H110 PolarHBondContact O-N 3.02Å
107	I	92.6	Very high	89.4	Confident	92 Å²	92	74.4 Å²	74.4	47%	0.472	38%	0.378	S	S	.	.	H	α-helix	trans	-62.1	-46.3	176.8	-67.5	167.6	0	0	0	110.2	I103 I104 E105 H110 L111	I103-I107 HydrophobicContact CG2-CD1 3.86Å; I103-I107 WeakPolarHBondContact O-CG1 3.5Å; I103-I107 PolarHBondContact O-N 2.97Å; I104-I107 PolarHBondContact O-N 3.44Å; E105-I107 PolarHBondContact O-N 3.09Å; I107-H110 PolarHBondContact O-N 2.87Å; I107-L111 HydrophobicContact CG2-CD1 3.77Å; I107-L111 HydrophobicContact CG2-CG 4.24Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 WeakPolarHBondContact O-CG 3.22Å; I107-L111 PolarHBondContact O-N 3.11Å
108	L	89	Confident	88.8	Confident	38 Å²	38	73.5 Å²	73.5	20%	0.199	37%	0.372	C	S	.	.	H	α-helix	trans	-63.7	-44.3	-179	-178.1	62.3	0	0	0	111.8	I104 E105 H110 L111 V112 T242 P246	I104-L108 WeakPolarHBondContact O-CB 3.49Å; I104-L108 PolarHBondContact O-N 2.96Å; E105-L108 PolarHBondContact O-N 3.45Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-H110 PolarHBondContact O-N 3.22Å; L108-L111 PolarHBondContact O-N 2.55Å; L108-V112 HydrophobicContact CD1-CG2 3.81Å; L108-V112 HydrophobicContact CG-CG2 4.29Å; L108-V112 VanDerWaalsContact O-CB 3.28Å; L108-V112 WeakPolarHBondContact O-CB 3.46Å; L108-V112 VanDerWaalsContact O-CG2 3.24Å; L108-V112 WeakPolarHBondContact O-CG2 3.44Å; L108-V112 PolarHBondContact O-N 2.88Å; L108-T242 HydrophobicContact CD1-CG2 3.51Å; L108-T242 HydrophobicContact CD2-CG2 3.35Å; L108-T242 WeakPolarHBondContact CD2-O 3.47Å; L108-T242 HydrophobicContact CG-CG2 3.71Å; L108-P246 HydrophobicContact CD2-CG 4.33Å
109	I	87.4	Confident	88.4	Confident	51 Å²	51	71.7 Å²	71.7	26%	0.262	36%	0.363	S	S	.	.	H	α-helix	trans	-54.6	-49.3	172.3	-76.8	173.7	0	0	0	109.8	E105 L111 V112 I113 L243	E105-I109 HydrophobicContact CG-CD1 3.78Å; E105-I109 HydrophobicContact CG-CG1 4.32Å; E105-I109 VanDerWaalsContact O-CB 3.26Å; E105-I109 WeakPolarHBondContact O-CB 3.33Å; E105-I109 WeakPolarHBondContact O-CG1 2.97Å; E105-I109 PolarHBondContact O-N 3.4Å; I109-L111 PolarHBondContact O-N 3.47Å; I109-V112 PolarHBondContact O-N 3.45Å; I109-I113 HydrophobicContact CB-CD1 4.46Å; I109-I113 HydrophobicContact CG2-CD1 3.41Å; I109-I113 VanDerWaalsContact CG2-CD1 3.41Å; I109-I113 HydrophobicContact CG2-CG1 4.2Å; I109-I113 WeakPolarHBondContact O-CB 3.47Å; I109-I113 WeakPolarHBondContact O-CG1 3.46Å; I109-I113 PolarHBondContact O-N 2.85Å; I109-L243 HydrophobicContact CG1-CD2 3.69Å
110	H	88.3	Confident	87.9	Confident	128 Å²	128	71.8 Å²	71.8	59%	0.593	37%	0.371	S	S	*	.	H	α-helix	trans	-63.1	-44.1	178.2	-77.7	-59.5	0	0	0	113	C106 I107 L108 V112 L114	C106-H110 PolarHBondContact O-CD2 3.31Å; C106-H110 PolarHBondContact O-N 3.02Å; I107-H110 PolarHBondContact O-N 2.87Å; L108-H110 VanDerWaalsContact C-N 3.32Å; L108-H110 PolarHBondContact O-N 3.22Å; H110-V112 VanDerWaalsContact C-N 3.35Å; H110-V112 PolarHBondContact O-N 3.44Å; H110-L114 WeakPolarHBondContact O-CG 3.28Å
111	L	86.4	Confident	87.4	Confident	121 Å²	121	69.4 Å²	69.4	63%	0.634	36%	0.361	S	S	*	.	H	α-helix	trans	-72.2	-25.1	-178.9	-67.3	179	0	0	0	113.4	I107 L108 I109 P115	I107-L111 HydrophobicContact CG2-CD1 3.77Å; I107-L111 HydrophobicContact CG2-CG 4.24Å; I107-L111 WeakPolarHBondContact O-CB 3.33Å; I107-L111 WeakPolarHBondContact O-CG 3.22Å; I107-L111 PolarHBondContact O-N 3.11Å; L108-L111 PolarHBondContact O-N 2.55Å; I109-L111 PolarHBondContact O-N 3.47Å; L111-P115 WeakPolarHBondContact O-CD 3.45Å; L111-P115 WeakPolarHBondContact O-CG 3.26Å
112	V	85.3	Confident	87.3	Confident	20 Å²	20	68.7 Å²	68.7	12%	0.121	36%	0.356	C	S	.	.	H	α-helix	trans	-95.5	-41.4	-179.5	174.2	0	0	0	0	112	L108 I109 H110 L114 P115 C116 Y234 M239	L108-V112 HydrophobicContact CD1-CG2 3.81Å; L108-V112 HydrophobicContact CG-CG2 4.29Å; L108-V112 VanDerWaalsContact O-CB 3.28Å; L108-V112 WeakPolarHBondContact O-CB 3.46Å; L108-V112 VanDerWaalsContact O-CG2 3.24Å; L108-V112 WeakPolarHBondContact O-CG2 3.44Å; L108-V112 PolarHBondContact O-N 2.88Å; I109-V112 PolarHBondContact O-N 3.45Å; H110-V112 VanDerWaalsContact C-N 3.35Å; H110-V112 PolarHBondContact O-N 3.44Å; V112-L114 PolarHBondContact O-N 3.01Å; V112-P115 VanDerWaalsContact O-CD 3.29Å; V112-P115 WeakPolarHBondContact O-CD 3.39Å; V112-P115 WeakPolarHBondContact O-CG 3.31Å; V112-C116 WeakPolarHBondContact O-CB 3.13Å; V112-C116 PolarHBondContact O-N 3.21Å; V112-Y234 HydrophobicContact CG1-CD1 4.22Å; V112-Y234 HydrophobicContact CG1-CE1 4.49Å; V112-M239 HydrophobicContact CG1-CG 4.44Å
113	I	83.1	Confident	87.1	Confident	89 Å²	89	66.8 Å²	66.8	46%	0.456	35%	0.351	S	S	.	.	H	α-helix	trans	-64.8	-42.6	-176.8	-70.1	-177.9	0	0	0	111.2	I109 C116 R117	I109-I113 HydrophobicContact CB-CD1 4.46Å; I109-I113 HydrophobicContact CG2-CD1 3.41Å; I109-I113 VanDerWaalsContact CG2-CD1 3.41Å; I109-I113 HydrophobicContact CG2-CG1 4.2Å; I109-I113 WeakPolarHBondContact O-CB 3.47Å; I109-I113 WeakPolarHBondContact O-CG1 3.46Å; I109-I113 PolarHBondContact O-N 2.85Å; I113-C116 PolarHBondContact O-N 2.62Å; I113-R117 HydrophobicContact CG2-CG 4.05Å; I113-R117 VanDerWaalsContact O-CG 3.28Å; I113-R117 WeakPolarHBondContact O-CG 3.17Å; I113-R117 PolarHBondContact O-N 3.18Å
114	L	81.7	Confident	87	Confident	128 Å²	128	66.3 Å²	66.3	67%	0.67	35%	0.354	S	S	*	.	H	α-helix	trans	-58.1	-54.8	-179.4	-70.3	175.5	0	0	0	112.8	H110 V112 C116	H110-L114 WeakPolarHBondContact O-CG 3.28Å; V112-L114 PolarHBondContact O-N 3.01Å; L114-C116 VanDerWaalsContact C-N 3.35Å
115	P	81.7	Confident	87.2	Confident	11 Å²	11	63.5 Å²	63.5	7%	0.071	34%	0.341	C	S	.	.	H	α-helix	trans	-68.2	-32.7	175.9	26.5	-34.1	0	0	0	112.7	L111 V112 H118 E119 Y234	L111-P115 WeakPolarHBondContact O-CD 3.45Å; L111-P115 WeakPolarHBondContact O-CG 3.26Å; V112-P115 VanDerWaalsContact O-CD 3.29Å; V112-P115 WeakPolarHBondContact O-CD 3.39Å; V112-P115 WeakPolarHBondContact O-CG 3.31Å; P115-H118 WeakPolarHBondContact O-CB 3.48Å; P115-H118 PolarHBondContact O-N 3.48Å; P115-E119 WeakPolarHBondContact O-CB 3.19Å; P115-E119 PolarHBondContact O-N 3.35Å; P115-Y234 HydrophobicContact CB-CD2 4.3Å; P115-Y234 HydrophobicContact CB-CE2 3.65Å; P115-Y234 HydrophobicContact CG-CE1 4.27Å; P115-Y234 HydrophobicContact CG-CE2 3.86Å
116	C	80.7	Confident	87.4	Confident	29 Å²	29	66.4 Å²	66.4	20%	0.196	36%	0.357	C	S	.	.	H	α-helix	trans	-60.9	-46.9	177.1	169	0	0	0	0	112.3	V112 I113 L114 H118 E119 A120 M239	V112-C116 WeakPolarHBondContact O-CB 3.13Å; V112-C116 PolarHBondContact O-N 3.21Å; I113-C116 PolarHBondContact O-N 2.62Å; L114-C116 VanDerWaalsContact C-N 3.35Å; C116-H118 PolarHBondContact O-N 3.32Å; C116-E119 PolarHBondContact O-N 2.87Å; C116-E119 VanDerWaalsContact O-N 3.14Å; C116-A120 WeakPolarHBondContact O-CB 3.28Å; C116-A120 PolarHBondContact O-N 2.91Å; C116-M239 HydrophobicContact CB-CE 3.79Å; C116-M239 WeakPolarHBondContact SG-CE 3.48Å
117	R	82.6	Confident	87.6	Confident	197 Å²	197	64.3 Å²	64.3	74%	0.743	34%	0.343	S	S	*	.	H	α-helix	trans	-56.6	-37.8	177.3	-74.2	-68.2	-59.9	-174.2	0.9	111.6	I113	I113-R117 HydrophobicContact CG2-CG 4.05Å; I113-R117 VanDerWaalsContact O-CG 3.28Å; I113-R117 WeakPolarHBondContact O-CG 3.17Å; I113-R117 PolarHBondContact O-N 3.18Å
118	H	82.8	Confident	87.8	Confident	59 Å²	59	62.2 Å²	62.2	27%	0.273	34%	0.335	S	S	.	.	H	α-helix	trans	-72.2	-45	177.3	-164.5	-76.9	0	0	0	111.8	P115 C116 A120 F122 I176 Y179	P115-H118 WeakPolarHBondContact O-CB 3.48Å; P115-H118 PolarHBondContact O-N 3.48Å; C116-H118 PolarHBondContact O-N 3.32Å; H118-A120 PolarHBondContact O-N 3.28Å; H118-F122 AromaticContact CE1-CE2 3.72Å; H118-F122 AromaticContact CE1-CZ 3.93Å; H118-F122 AromaticContact ND1-CE2 3.58Å; H118-F122 VanDerWaalsContact O-CD2 3.26Å; H118-F122 WeakPolarHBondContact O-CD2 3.42Å; H118-F122 VanDerWaalsContact O-CE2 3.23Å; H118-F122 WeakPolarHBondContact O-CE2 3.38Å; H118-I176 HydrophobicContact CB-CD1 4.38Å; H118-I176 WeakPolarHBondContact ND1-CD1 3.37Å; H118-Y179 AromaticContact CE1-CD1 3.58Å; H118-Y179 AromaticContact CE1-CE1 3.07Å; H118-Y179 WeakPolarHBondContact CE1-CE1 3.18Å; H118-Y179 AromaticContact CE1-CZ 3.82Å; H118-Y179 AromaticContact NE2-CE1 3.38Å; H118-Y179 WeakPolarHBondContact NE2-CE1 3.17Å
119	E	85.5	Confident	88.2	Confident	4 Å²	4	63 Å²	63	2%	0.019	34%	0.336	C	S	.	.	H	α-helix	trans	-71.7	-26	-178	-168.3	171.9	-128.1	0	0	113.7	P115 C116 G121 F122 K232 F233 Y234	P115-E119 WeakPolarHBondContact O-CB 3.19Å; P115-E119 PolarHBondContact O-N 3.35Å; C116-E119 PolarHBondContact O-N 2.87Å; C116-E119 VanDerWaalsContact O-N 3.14Å; E119-G121 VanDerWaalsContact C-N 3.28Å; E119-G121 PolarHBondContact O-N 3.42Å; E119-F122 PolarHBondContact O-N 2.89Å; E119-K232 HydrophobicContact CG-CB 4.34Å; E119-K232 HydrophobicContact CG-CD 3.85Å; E119-K232 HydrophobicContact CG-CG 3.88Å; E119-K232 PolarHBondContact O-NZ 3.39Å; E119-K232 WeakPolarHBondContact OE1-CA 3.48Å; E119-K232 VanDerWaalsContact OE1-CB 3.23Å; E119-K232 WeakPolarHBondContact OE1-CB 3.23Å; E119-K232 WeakPolarHBondContact OE1-CG 3.41Å; E119-F233 PolarHBondContact OE1-N 3.33Å; E119-Y234 WeakPolarHBondContact OE2-CA 3.42Å; E119-Y234 WeakPolarHBondContact OE2-CB 3.06Å; E119-Y234 WeakPolarHBondContact OE2-CD2 3.02Å; E119-Y234 PolarHBondContact OE2-N 3.11Å
120	A	83.9	Confident	88.7	Confident	72 Å²	72	64.2 Å²	64.2	60%	0.595	34%	0.342	S	S	*	.	H	α-helix	trans	-61.5	-31.5	-179.2	0	0	0	0	0	113.4	C116 H118 F122	C116-A120 WeakPolarHBondContact O-CB 3.28Å; C116-A120 PolarHBondContact O-N 2.91Å; H118-A120 PolarHBondContact O-N 3.28Å; A120-F122 PolarHBondContact O-N 3.41Å
121	G	85.6	Confident	89.1	Confident	26 Å²	26	61.3 Å²	61.3	27%	0.268	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	-75.3	-5.5	179.8	0	0	0	0	0	114.9	E119 H221	E119-G121 VanDerWaalsContact C-N 3.28Å; E119-G121 PolarHBondContact O-N 3.42Å; G121-H221 PolarHBondContact O-ND1 3.5Å
122	F	90.9	Very high	89.5	Confident	3 Å²	3	57.7 Å²	57.7	1%	0.013	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	122.4	-178.8	-69.3	-100.5	0	0	0	111.3	H118 E119 A120 Y219 V220 H221 L229 K232	H118-F122 AromaticContact CE1-CE2 3.72Å; H118-F122 AromaticContact CE1-CZ 3.93Å; H118-F122 AromaticContact ND1-CE2 3.58Å; H118-F122 VanDerWaalsContact O-CD2 3.26Å; H118-F122 WeakPolarHBondContact O-CD2 3.42Å; H118-F122 VanDerWaalsContact O-CE2 3.23Å; H118-F122 WeakPolarHBondContact O-CE2 3.38Å; E119-F122 PolarHBondContact O-N 2.89Å; A120-F122 PolarHBondContact O-N 3.41Å; F122-Y219 WeakPolarHBondContact CD1-O 3.26Å; F122-V220 CarbonylContact C-O 3.55Å; F122-V220 WeakPolarHBondContact CA-O 3.28Å; F122-H221 HydrophobicContact CD1-CB 3.89Å; F122-H221 HydrophobicContact CD2-CB 4.5Å; F122-H221 AromaticContact CD2-ND1 3.51Å; F122-H221 HydrophobicContact CE1-CB 3.72Å; F122-H221 HydrophobicContact CE2-CB 4.33Å; F122-H221 AromaticContact CE2-ND1 3.42Å; F122-H221 WeakPolarHBondContact CE2-ND1 3.27Å; F122-H221 HydrophobicContact CG-CB 4.29Å; F122-H221 HydrophobicContact CZ-CB 3.95Å; F122-H221 AromaticContact CZ-ND1 3.9Å; F122-L229 HydrophobicContact CD1-CB 4.46Å; F122-L229 HydrophobicContact CD1-CD1 3.82Å; F122-L229 HydrophobicContact CD1-CG 3.91Å; F122-L229 HydrophobicContact CD2-CD1 3.95Å; F122-L229 HydrophobicContact CE1-CD1 3.78Å; F122-L229 HydrophobicContact CE1-CG 3.7Å; F122-L229 HydrophobicContact CE2-CD1 3.93Å; F122-L229 HydrophobicContact CG-CD1 3.9Å; F122-L229 HydrophobicContact CG-CG 4.49Å; F122-L229 HydrophobicContact CZ-CD1 3.84Å; F122-L229 HydrophobicContact CZ-CG 4.13Å; F122-K232 WeakPolarHBondContact O-CE 3.33Å; F122-K232 PolarHBondContact O-NZ 3.02Å
123	L	91.1	Very high	90.1	Very high	75 Å²	75	61.5 Å²	61.5	39%	0.393	33%	0.328	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.8	142	-179.6	-70.4	164.9	0	0	0	111.2	Y219 V220 E222	L123-Y219 CarbonylContact O-C 3.55Å; L123-Y219 VanDerWaalsContact O-CA 3.27Å; L123-Y219 WeakPolarHBondContact O-CA 3.44Å; L123-V220 PolarHBondContact N-O 3.34Å; L123-V220 PolarHBondContact O-N 3.46Å; L123-E222 HydrophobicContact CD1-CG 4.05Å; L123-E222 WeakPolarHBondContact CD1-OE1 3.43Å
124	P	93.3	Very high	90.7	Very high	87 Å²	87	62 Å²	62	57%	0.565	33%	0.331	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-67.7	136.7	179.3	28.5	-33.9	0	0	0	111.3	T217 C218 Y219	P124-T217 HydrophobicContact CB-CG2 4.26Å; P124-C218 CarbonylContact C-O 3.49Å; P124-C218 WeakPolarHBondContact CA-O 3.31Å; P124-Y219 HydrophobicContact CB-CD1 3.91Å; P124-Y219 HydrophobicContact CB-CE1 3.83Å
125	T	94.9	Very high	91.4	Very high	30 Å²	30	59.6 Å²	59.6	18%	0.184	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-147.6	168.1	171	-169.2	0	0	0	0	110	Y161 T217 C218 V220	T125-Y161 HydrophobicContact CG2-CD2 3.95Å; T125-Y161 HydrophobicContact CG2-CG 4.11Å; T125-T217 WeakPolarHBondContact O-CA 3.38Å; T125-C218 WeakPolarHBondContact CG2-SG 3.5Å; T125-C218 PolarHBondContact N-O 3.37Å; T125-C218 PolarHBondContact O-N 2.79Å; T125-C218 VanDerWaalsContact O-O 3.07Å; T125-C218 PolarHBondContact O-SG 3.44Å; T125-V220 HydrophobicContact CG2-CB 4.36Å; T125-V220 HydrophobicContact CG2-CG1 3.73Å; T125-V220 HydrophobicContact CG2-CG2 3.71Å
126	N	95.9	Very high	92	Very high	90 Å²	90	61.1 Å²	61.1	48%	0.481	33%	0.329	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	123.4	175.7	-68.2	-31.5	0	0	0	110	Q215	N126-Q215 HydrophobicContact CB-CG 4.04Å; N126-Q215 VanDerWaalsContact CB-NE2 3.3Å
127	C	97	Very high	92.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	35%	0.35	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.1	150.8	179.7	-75.2	0	0	0	0	112	I159 K160 Q215 F216 C218	C127-I159 HydrophobicContact CB-CB 4.42Å; C127-I159 HydrophobicContact CB-CD1 3.86Å; C127-I159 WeakPolarHBondContact SG-CD1 3.46Å; C127-K160 CarbonylContact C-O 3.54Å; C127-K160 WeakPolarHBondContact CA-O 3.04Å; C127-Q215 WeakPolarHBondContact O-CA 3.34Å; C127-Q215 WeakPolarHBondContact O-CG 3.35Å; C127-F216 HydrophobicContact CB-CD2 4.24Å; C127-F216 HydrophobicContact CB-CE2 3.85Å; C127-F216 HydrophobicContact CB-CZ 4.15Å; C127-F216 PolarHBondContact N-O 2.93Å; C127-F216 PolarHBondContact O-N 3.22Å; C127-C218 HydrophobicContact CB-CB 3.67Å; C127-C218 WeakPolarHBondContact CB-SG 3.5Å; C127-C218 WeakPolarHBondContact SG-CB 3.21Å; C127-C218 CovalentContact SG-SG 1.98Å; C127-C218 PolarHBondContact SG-SG 3.31Å
128	T	97	Very high	93.1	Very high	48 Å²	48	57.8 Å²	57.8	29%	0.294	34%	0.336	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.4	138.5	173.2	60.2	0	0	0	0	109.9	I159 K160 Q215	T128-I159 CarbonylContact O-C 3.54Å; T128-I159 VanDerWaalsContact O-CA 3.31Å; T128-I159 WeakPolarHBondContact O-CA 3.05Å; T128-K160 PolarHBondContact N-O 3.49Å; T128-K160 PolarHBondContact O-N 2.9Å; T128-K160 PolarHBondContact OG1-O 2.76Å; T128-Q215 HydrophobicContact CG2-CB 4.34Å; T128-Q215 HydrophobicContact CG2-CG 4.25Å
129	Y	97.4	Very high	93.6	Very high	55 Å²	55	55.8 Å²	55.8	22%	0.216	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-62.4	140.1	175.5	171.3	-94.9	0	0	0	112	E131 S132 I157 I210 K211	Y129-E131 WeakPolarHBondContact OH-CA 3.25Å; Y129-S132 PolarHBondContact OH-N 2.98Å; Y129-S132 VanDerWaalsContact OH-N 3.08Å; Y129-S132 PolarHBondContact OH-OG 3.31Å; Y129-I157 HydrophobicContact CD2-CG2 3.89Å; Y129-I157 HydrophobicContact CE2-CG2 4.07Å; Y129-I210 HydrophobicContact CD2-CG2 4.02Å; Y129-K211 HydrophobicContact CD1-CG 4.48Å; Y129-K211 HydrophobicContact CE1-CG 4.04Å
130	I	96.6	Very high	94	Very high	77 Å²	77	63.1 Å²	63.1	40%	0.395	36%	0.36	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.8	-64.6	172.6	-55.3	176.2	0	0	0	110.1	L158 K160 T169	I130-L158 HydrophobicContact CB-CB 4.49Å; I130-L158 WeakPolarHBondContact CB-O 3.33Å; I130-L158 PolarHBondContact N-O 3.5Å; I130-K160 HydrophobicContact CD1-CB 3.77Å; I130-K160 HydrophobicContact CG1-CB 3.89Å; I130-T169 HydrophobicContact CD1-CG2 3.8Å
131	E	96.7	Very high	94.3	Very high	66 Å²	66	59.9 Å²	59.9	31%	0.308	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-155.6	160.2	-174	63.2	173.6	173.4	0	0	111.3	Y129 K133 L158	Y129-E131 WeakPolarHBondContact OH-CA 3.25Å; E131-K133 VanDerWaalsContact CD-CE 3.47Å; E131-K133 VanDerWaalsContact CD-NZ 3.25Å; E131-K133 WeakPolarHBondContact OE1-CE 3.27Å; E131-K133 IonicContact OE1-NZ 2.68Å; E131-K133 PolarHBondContact OE1-NZ 3.02Å; E131-K133 WeakPolarHBondContact OE2-CE 3.31Å; E131-K133 IonicContact OE2-NZ 3.16Å; E131-K133 PolarHBondContact OE2-NZ 3.19Å; E131-K133 VanDerWaalsContact OE2-NZ 3.16Å; E131-L158 HydrophobicContact CG-CB 3.96Å; E131-L158 HydrophobicContact CG-CD1 3.82Å; E131-L158 HydrophobicContact CG-CG 4.4Å; E131-L158 PolarHBondContact N-O 3.26Å; E131-L158 PolarHBondContact O-N 3.5Å; E131-L158 WeakPolarHBondContact OE1-CD1 3.31Å
132	S	96.5	Very high	94.2	Very high	46 Å²	46	63.4 Å²	63.4	32%	0.322	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.3	139.4	170.6	62.9	0	0	0	0	110.1	Y129 R156 C207	Y129-S132 PolarHBondContact OH-N 2.98Å; Y129-S132 VanDerWaalsContact OH-N 3.08Å; Y129-S132 PolarHBondContact OH-OG 3.31Å; S132-R156 CarbonylContact C-O 3.56Å; S132-R156 VanDerWaalsContact CA-O 3.29Å; S132-R156 WeakPolarHBondContact CA-O 3.35Å; S132-C207 PolarHBondContact OG-SG 3.46Å
133	K	96.5	Very high	93.5	Very high	100 Å²	100	66.4 Å²	66.4	44%	0.435	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-131	129.4	-176.6	-76.3	173.7	169.8	156.1	0	110.2	E131 I135 I155 R156	E131-K133 VanDerWaalsContact CD-CE 3.47Å; E131-K133 VanDerWaalsContact CD-NZ 3.25Å; E131-K133 WeakPolarHBondContact OE1-CE 3.27Å; E131-K133 IonicContact OE1-NZ 2.68Å; E131-K133 PolarHBondContact OE1-NZ 3.02Å; E131-K133 WeakPolarHBondContact OE2-CE 3.31Å; E131-K133 IonicContact OE2-NZ 3.16Å; E131-K133 PolarHBondContact OE2-NZ 3.19Å; E131-K133 VanDerWaalsContact OE2-NZ 3.16Å; K133-I135 HydrophobicContact CB-CD1 4.41Å; K133-I135 PolarHBondContact O-N 2.9Å; K133-I155 CarbonylContact O-C 3.57Å; K133-I155 WeakPolarHBondContact O-CA 3.01Å; K133-R156 PolarHBondContact N-O 2.89Å; K133-R156 PolarHBondContact O-N 3.22Å
134	L	96.9	Very high	92.5	Very high	99 Å²	99	71.4 Å²	71.4	52%	0.518	38%	0.377	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.4	116	170.4	179.6	62.2	0	0	0	109	S136 Q153 I155	L134-S136 WeakPolarHBondContact CD1-O 2.97Å; L134-Q153 HydrophobicContact CD1-CG 3.26Å; L134-Q153 VanDerWaalsContact CD1-NE2 3.33Å; L134-I155 HydrophobicContact CD1-CG1 4.11Å
135	I	95.7	Very high	91.4	Very high	78 Å²	78	72.6 Å²	72.6	40%	0.4	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-93.1	-43.8	178.9	-57.4	-58	0	0	0	110.6	K133 C154 R156	K133-I135 HydrophobicContact CB-CD1 4.41Å; K133-I135 PolarHBondContact O-N 2.9Å; I135-C154 PolarHBondContact N-O 3.03Å; I135-R156 HydrophobicContact CD1-CB 3.95Å; I135-R156 HydrophobicContact CG1-CB 3.67Å
136	S	94.8	Very high	90.2	Very high	42 Å²	42	74 Å²	74	29%	0.294	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.6	137.5	176.1	179.3	0	0	0	0	110.5	L134 S138 C154	L134-S136 WeakPolarHBondContact CD1-O 2.97Å; S136-S138 VanDerWaalsContact C-N 3.32Å; S136-S138 PolarHBondContact OG-N 2.88Å; S136-S138 PolarHBondContact OG-O 2.8Å; S136-C154 PolarHBondContact N-O 3.31Å; S136-C154 PolarHBondContact O-N 3.34Å
137	S	93.5	Very high	89.1	Confident	92 Å²	92	79.6 Å²	79.6	64%	0.643	42%	0.418	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	-29.1	178.8	55	0	0	0	0	112.8
138	S	93	Very high	88.1	Confident	64 Å²	64	86.7 Å²	86.7	45%	0.448	46%	0.455	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.2	114.2	-177.9	-179.2	0	0	0	0	110.2	S136 S151 F152	S136-S138 VanDerWaalsContact C-N 3.32Å; S136-S138 PolarHBondContact OG-N 2.88Å; S136-S138 PolarHBondContact OG-O 2.8Å; S138-S151 WeakPolarHBondContact OG-CB 2.94Å; S138-S151 PolarHBondContact OG-OG 3.19Å; S138-F152 WeakPolarHBondContact CA-O 3.4Å
139	V	94	Very high	87.4	Confident	17 Å²	17	90.9 Å²	90.9	10%	0.103	47%	0.466	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	128.3	171	177.7	0	0	0	0	107.7	S151 F152 C154 Y182 L185	V139-S151 CarbonylContact O-C 3.52Å; V139-S151 WeakPolarHBondContact O-CA 3.34Å; V139-S151 VanDerWaalsContact O-CB 3.27Å; V139-S151 WeakPolarHBondContact O-CB 3.31Å; V139-F152 HydrophobicContact CB-CE1 4.1Å; V139-F152 HydrophobicContact CB-CE2 4.41Å; V139-F152 HydrophobicContact CB-CZ 4.05Å; V139-F152 HydrophobicContact CG1-CE1 3.96Å; V139-F152 HydrophobicContact CG1-CZ 3.91Å; V139-F152 PolarHBondContact N-O 3.08Å; V139-F152 WeakPolarHBondContact O-CD1 3.3Å; V139-F152 PolarHBondContact O-N 2.75Å; V139-C154 HydrophobicContact CG2-CB 3.56Å; V139-Y182 HydrophobicContact CG1-CD1 4.3Å; V139-Y182 HydrophobicContact CG1-CE1 4.04Å; V139-L185 HydrophobicContact CG1-CD1 3.84Å; V139-L185 HydrophobicContact CG2-CD1 4.23Å
140	K	92.1	Very high	87.1	Confident	159 Å²	159	89.1 Å²	89.1	69%	0.691	46%	0.462	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-70.2	131.7	179.4	-66	-179	-179.4	178.7	0	109.5
141	C	91	Very high	86.9	Confident	3 Å²	3	86.4 Å²	86.4	2%	0.02	45%	0.449	C	S	.	.			trans	-64.3	137.3	173.5	-79.1	0	0	0	0	111.5	N143 R149 S150 C192	C141-N143 PolarHBondContact O-N 3.39Å; C141-N143 VanDerWaalsContact O-N 3.11Å; C141-R149 WeakPolarHBondContact O-CD 3.31Å; C141-S150 VanDerWaalsContact CB-O 3.31Å; C141-S150 WeakPolarHBondContact CB-O 3.35Å; C141-S150 PolarHBondContact N-O 3.31Å; C141-C192 HydrophobicContact CB-CB 3.73Å; C141-C192 WeakPolarHBondContact CB-SG 3.43Å; C141-C192 WeakPolarHBondContact SG-CA 3.33Å; C141-C192 WeakPolarHBondContact SG-CB 3.48Å; C141-C192 CovalentContact SG-SG 2.04Å; C141-C192 PolarHBondContact SG-SG 3.14Å
142	E	82.9	Confident	86.8	Confident	100 Å²	100	83.4 Å²	83.4	47%	0.467	44%	0.435	S	S	.	.			trans	-71.6	102.7	164.9	-171	176.7	162.6	0	0	109.4	Y181 Y182	E142-Y181 WeakPolarHBondContact OE2-CD1 3.33Å; E142-Y181 WeakPolarHBondContact OE2-CE1 3.17Å; E142-Y182 PolarHBondContact N-OH 3.5Å; E142-Y182 VanDerWaalsContact N-OH 3.1Å
143	N	76.7	Confident	86.8	Confident	66 Å²	66	82.6 Å²	82.6	35%	0.353	43%	0.426	S	S	.	.			trans	-128.1	130.3	164.6	-171.1	-4.2	0	0	0	108.9	C141 C145 R149	C141-N143 PolarHBondContact O-N 3.39Å; C141-N143 VanDerWaalsContact O-N 3.11Å; N143-C145 WeakPolarHBondContact OD1-CB 2.99Å; N143-C145 PolarHBondContact OD1-N 3.33Å; N143-R149 PolarHBondContact O-NE 2.93Å; N143-R149 VanDerWaalsContact O-NE 3.17Å; N143-R149 PolarHBondContact O-NH2 3.4Å
144	K	69.8	Low	86.8	Confident	180 Å²	180	77.9 Å²	77.9	78%	0.783	41%	0.406	S	S	*	.	S	Bend	trans	-78.8	-19.8	176.1	-65.5	176.7	-170.9	-87.7	0	112.2
145	C	70.5	Confident	86.9	Confident	113 Å²	113	73.9 Å²	73.9	76%	0.764	39%	0.385	S	S	*	.	S	Bend	trans	-99.8	-6.5	-166.6	-57.6	0	0	0	0	115.5	N143	N143-C145 WeakPolarHBondContact OD1-CB 2.99Å; N143-C145 PolarHBondContact OD1-N 3.33Å
146	S	70.3	Confident	86.9	Confident	59 Å²	59	74.3 Å²	74.3	41%	0.413	38%	0.382	S	S	.	.			trans	-138.5	137.6	-172.7	-52.5	0	0	0	0	113.2
147	K	71.5	Confident	87.1	Confident	208 Å²	208	72.3 Å²	72.3	90%	0.904	37%	0.368	S	S	*	.	S	Bend	trans	-69.2	-41.2	174.6	-173.4	177.1	178.3	177.2	0	111.2	R149	K147-R149 PolarHBondContact O-N 3.5Å
148	D	76	Confident	87.3	Confident	148 Å²	148	69.7 Å²	69.7	79%	0.791	35%	0.346	S	S	*	.	S	Bend	trans	-86.8	105	171.8	-64.9	-35.1	0	0	0	109.4
149	R	82.6	Confident	87.5	Confident	137 Å²	137	66.6 Å²	66.6	52%	0.517	33%	0.325	S	S	.	.			trans	-92	125.2	176.4	-69	175.3	176	156.9	4.3	108.8	C141 N143 K147	C141-R149 WeakPolarHBondContact O-CD 3.31Å; N143-R149 PolarHBondContact O-NE 2.93Å; N143-R149 VanDerWaalsContact O-NE 3.17Å; N143-R149 PolarHBondContact O-NH2 3.4Å; K147-R149 PolarHBondContact O-N 3.5Å
150	S	91.4	Very high	87.6	Confident	18 Å²	18	70 Å²	70	13%	0.126	34%	0.338	C	S	.	.			trans	-61.2	160.8	165.7	57.4	0	0	0	0	110.1	C141 H193 N196	C141-S150 VanDerWaalsContact CB-O 3.31Å; C141-S150 WeakPolarHBondContact CB-O 3.35Å; C141-S150 PolarHBondContact N-O 3.31Å; S150-H193 WeakPolarHBondContact CB-O 3.36Å; S150-H193 PolarHBondContact OG-O 3.34Å; S150-N196 VanDerWaalsContact CA-OD1 3.25Å; S150-N196 WeakPolarHBondContact CA-OD1 3.4Å; S150-N196 VanDerWaalsContact CB-OD1 3.31Å; S150-N196 WeakPolarHBondContact CB-OD1 3.49Å
151	S	93	Very high	87.8	Confident	19 Å²	19	62.6 Å²	62.6	13%	0.133	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	154.8	177.5	67.7	0	0	0	0	110.8	S138 V139 N196 N199	S138-S151 WeakPolarHBondContact OG-CB 2.94Å; S138-S151 PolarHBondContact OG-OG 3.19Å; V139-S151 CarbonylContact O-C 3.52Å; V139-S151 WeakPolarHBondContact O-CA 3.34Å; V139-S151 VanDerWaalsContact O-CB 3.27Å; V139-S151 WeakPolarHBondContact O-CB 3.31Å; S151-N196 PolarHBondContact N-OD1 2.94Å; S151-N196 PolarHBondContact O-OD1 3.01Å; S151-N196 PolarHBondContact OG-ND2 3.34Å; S151-N199 PolarHBondContact O-ND2 2.99Å; S151-N199 VanDerWaalsContact O-ND2 3.16Å
152	F	95.1	Very high	87.9	Confident	3 Å²	3	65.2 Å²	65.2	1%	0.013	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.9	162.5	175.6	68.2	-84.1	0	0	0	110.6	S138 V139 Y182 C187 T189 N199 V203	S138-F152 WeakPolarHBondContact CA-O 3.4Å; V139-F152 HydrophobicContact CB-CE1 4.1Å; V139-F152 HydrophobicContact CB-CE2 4.41Å; V139-F152 HydrophobicContact CB-CZ 4.05Å; V139-F152 HydrophobicContact CG1-CE1 3.96Å; V139-F152 HydrophobicContact CG1-CZ 3.91Å; V139-F152 PolarHBondContact N-O 3.08Å; V139-F152 WeakPolarHBondContact O-CD1 3.3Å; V139-F152 PolarHBondContact O-N 2.75Å; F152-Y182 AromaticContact CE1-CE1 3.86Å; F152-Y182 HydrophobicContact CE1-CE1 3.86Å; F152-Y182 HydrophobicContact CE1-CE2 4.23Å; F152-Y182 AromaticContact CE1-CZ 3.7Å; F152-Y182 AromaticContact CZ-CD1 3.96Å; F152-Y182 HydrophobicContact CZ-CD1 3.96Å; F152-Y182 HydrophobicContact CZ-CD2 4.23Å; F152-Y182 AromaticContact CZ-CE1 3.75Å; F152-Y182 HydrophobicContact CZ-CE1 3.75Å; F152-Y182 HydrophobicContact CZ-CE2 4.06Å; F152-Y182 HydrophobicContact CZ-CG 4.18Å; F152-Y182 AromaticContact CZ-CZ 3.81Å; F152-C187 HydrophobicContact CE2-CB 4.24Å; F152-T189 WeakPolarHBondContact CE2-O 3.29Å; F152-N199 HydrophobicContact CB-CB 3.83Å; F152-V203 HydrophobicContact CD2-CG2 4.45Å
153	Q	96	Very high	88.2	Confident	29 Å²	29	64.4 Å²	64.4	14%	0.136	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	127.2	176.6	-171.9	176.6	41.9	0	0	109.8	L134 I155 H200 V203	L134-Q153 HydrophobicContact CD1-CG 3.26Å; L134-Q153 VanDerWaalsContact CD1-NE2 3.33Å; Q153-I155 HydrophobicContact CG-CG1 4.25Å; Q153-H200 PolarHBondContact OE1-CE1 3.06Å; Q153-H200 VanDerWaalsContact OE1-CE1 3.24Å; Q153-H200 PolarHBondContact OE1-ND1 3.4Å; Q153-V203 HydrophobicContact CB-CG1 4.42Å; Q153-V203 WeakPolarHBondContact O-CG1 3.46Å; Q153-V203 WeakPolarHBondContact O-CG2 3.42Å
154	C	96.9	Very high	88.8	Confident	1 Å²	1	68.9 Å²	68.9	1%	0.007	34%	0.34	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	108.3	179.6	177.4	0	0	0	0	110.6	I135 S136 V139 C187	I135-C154 PolarHBondContact N-O 3.03Å; S136-C154 PolarHBondContact N-O 3.31Å; S136-C154 PolarHBondContact O-N 3.34Å; V139-C154 HydrophobicContact CG2-CB 3.56Å; C154-C187 HydrophobicContact CB-CB 4.04Å; C154-C187 WeakPolarHBondContact CB-SG 3.41Å; C154-C187 WeakPolarHBondContact SG-CA 3.36Å; C154-C187 WeakPolarHBondContact SG-CB 3.29Å; C154-C187 CovalentContact SG-SG 2.03Å; C154-C187 PolarHBondContact SG-SG 3.48Å
155	I	97.2	Very high	89.7	Confident	16 Å²	16	70.2 Å²	70.2	8%	0.082	35%	0.346	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	131.4	174.6	-59.1	-177.1	0	0	0	108.6	K133 L134 Q153 I157 A188 V203	K133-I155 CarbonylContact O-C 3.57Å; K133-I155 WeakPolarHBondContact O-CA 3.01Å; L134-I155 HydrophobicContact CD1-CG1 4.11Å; Q153-I155 HydrophobicContact CG-CG1 4.25Å; I155-I157 HydrophobicContact CG2-CG1 4.4Å; I155-A188 VanDerWaalsContact O-CB 3.28Å; I155-A188 WeakPolarHBondContact O-CB 3.23Å; I155-A188 PolarHBondContact O-N 2.8Å; I155-V203 HydrophobicContact CB-CG1 4.3Å; I155-V203 HydrophobicContact CD1-CG1 3.6Å; I155-V203 HydrophobicContact CG1-CG1 3.84Å
156	R	97.4	Very high	90.8	Very high	86 Å²	86	71.6 Å²	71.6	33%	0.325	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	130	169.8	-174.7	175.6	-63	-179.5	-0.2	109.2	S132 K133 I135 L185 G186	S132-R156 CarbonylContact C-O 3.56Å; S132-R156 VanDerWaalsContact CA-O 3.29Å; S132-R156 WeakPolarHBondContact CA-O 3.35Å; K133-R156 PolarHBondContact N-O 2.89Å; K133-R156 PolarHBondContact O-N 3.22Å; I135-R156 HydrophobicContact CD1-CB 3.95Å; I135-R156 HydrophobicContact CG1-CB 3.67Å; R156-L185 PolarHBondContact NH2-O 3.35Å; R156-G186 WeakPolarHBondContact CA-O 3.26Å; R156-G186 VanDerWaalsContact CB-O 3.28Å; R156-G186 WeakPolarHBondContact CB-O 3.49Å; R156-G186 WeakPolarHBondContact CG-O 3.22Å
157	I	97.6	Very high	91.9	Very high	1 Å²	1	73.6 Å²	73.6	1%	0.005	35%	0.345	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.7	124.2	174.7	-61.7	178	0	0	0	108.1	Y129 I155 I159 S171 L172 A188 F206 I210	Y129-I157 HydrophobicContact CD2-CG2 3.89Å; Y129-I157 HydrophobicContact CE2-CG2 4.07Å; I155-I157 HydrophobicContact CG2-CG1 4.4Å; I157-I159 HydrophobicContact CG2-CG2 4.32Å; I157-S171 WeakPolarHBondContact O-CA 3.18Å; I157-L172 HydrophobicContact CB-CB 4.26Å; I157-L172 HydrophobicContact CG2-CB 4.26Å; I157-L172 HydrophobicContact CG2-CD2 4.24Å; I157-L172 PolarHBondContact O-N 2.99Å; I157-A188 HydrophobicContact CB-CB 4.06Å; I157-A188 HydrophobicContact CD1-CB 3.92Å; I157-A188 HydrophobicContact CG1-CB 3.78Å; I157-F206 HydrophobicContact CD1-CD1 3.99Å; I157-F206 HydrophobicContact CD1-CE1 3.73Å; I157-I210 HydrophobicContact CD1-CB 4.41Å; I157-I210 HydrophobicContact CD1-CG1 4.39Å; I157-I210 HydrophobicContact CG2-CG2 4.13Å
158	L	97.4	Very high	93.1	Very high	36 Å²	36	66.3 Å²	66.3	19%	0.188	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.9	133.2	175.8	-70.8	168.9	0	0	0	109.9	I130 E131 T169 A170	I130-L158 HydrophobicContact CB-CB 4.49Å; I130-L158 WeakPolarHBondContact CB-O 3.33Å; I130-L158 PolarHBondContact N-O 3.5Å; E131-L158 HydrophobicContact CG-CB 3.96Å; E131-L158 HydrophobicContact CG-CD1 3.82Å; E131-L158 HydrophobicContact CG-CG 4.4Å; E131-L158 PolarHBondContact N-O 3.26Å; E131-L158 PolarHBondContact O-N 3.5Å; E131-L158 WeakPolarHBondContact OE1-CD1 3.31Å; L158-T169 HydrophobicContact CB-CG2 4.45Å; L158-T169 HydrophobicContact CD2-CG2 4.16Å; L158-A170 WeakPolarHBondContact CA-O 3.23Å
159	I	97.3	Very high	94	Very high	0 Å²	0	62.6 Å²	62.6	0%	0	30%	0.296	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125	156.3	-178.6	54	139.7	0	0	0	110.3	C127 T128 I157 T169 A170 L172 F216 A228	C127-I159 HydrophobicContact CB-CB 4.42Å; C127-I159 HydrophobicContact CB-CD1 3.86Å; C127-I159 WeakPolarHBondContact SG-CD1 3.46Å; T128-I159 CarbonylContact O-C 3.54Å; T128-I159 VanDerWaalsContact O-CA 3.31Å; T128-I159 WeakPolarHBondContact O-CA 3.05Å; I157-I159 HydrophobicContact CG2-CG2 4.32Å; I159-T169 VanDerWaalsContact O-CA 3.27Å; I159-T169 WeakPolarHBondContact O-CA 3.4Å; I159-A170 HydrophobicContact CD1-CB 4.06Å; I159-A170 HydrophobicContact CG1-CB 4.08Å; I159-A170 WeakPolarHBondContact CG1-O 3.42Å; I159-A170 PolarHBondContact N-O 3.29Å; I159-A170 PolarHBondContact O-N 3.2Å; I159-L172 HydrophobicContact CD1-CD1 4.49Å; I159-L172 HydrophobicContact CG1-CB 4.31Å; I159-L172 HydrophobicContact CG2-CB 3.95Å; I159-L172 HydrophobicContact CG2-CD2 4.14Å; I159-L172 HydrophobicContact CG2-CG 4.46Å; I159-F216 HydrophobicContact CG2-CE2 4.49Å; I159-F216 HydrophobicContact CG2-CZ 3.77Å; I159-A228 HydrophobicContact CD1-CB 3.58Å
160	K	96.7	Very high	94.7	Very high	87 Å²	87	56.1 Å²	56.1	38%	0.378	27%	0.272	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.6	138.8	171.9	-171.4	-179.6	176.6	-177.5	0	109.3	C127 T128 I130 F168	C127-K160 CarbonylContact C-O 3.54Å; C127-K160 WeakPolarHBondContact CA-O 3.04Å; T128-K160 PolarHBondContact N-O 3.49Å; T128-K160 PolarHBondContact O-N 2.9Å; T128-K160 PolarHBondContact OG1-O 2.76Å; I130-K160 HydrophobicContact CD1-CB 3.77Å; I130-K160 HydrophobicContact CG1-CB 3.89Å; K160-F168 WeakPolarHBondContact CA-O 3.4Å
161	Y	95.9	Very high	94.9	Very high	5 Å²	5	56 Å²	56	2%	0.02	27%	0.271	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.4	162.8	168	72.4	-84	0	0	0	110.4	T125 R163 N167 F168 A170 V220 I225	T125-Y161 HydrophobicContact CG2-CD2 3.95Å; T125-Y161 HydrophobicContact CG2-CG 4.11Å; Y161-R163 HydrophobicContact CD2-CB 4.46Å; Y161-R163 HydrophobicContact CE2-CB 4.17Å; Y161-N167 WeakPolarHBondContact O-CA 3.22Å; Y161-F168 HydrophobicContact CD1-CB 4.11Å; Y161-F168 HydrophobicContact CE1-CB 3.53Å; Y161-F168 HydrophobicContact CE2-CB 4.04Å; Y161-F168 HydrophobicContact CE2-CD2 4.04Å; Y161-F168 HydrophobicContact CE2-CG 4.37Å; Y161-F168 VanDerWaalsContact CZ-CB 3.5Å; Y161-F168 PolarHBondContact N-O 3.01Å; Y161-F168 PolarHBondContact O-N 2.84Å; Y161-A170 HydrophobicContact CD1-CB 4.3Å; Y161-A170 HydrophobicContact CE1-CB 3.91Å; Y161-V220 HydrophobicContact CD1-CG1 3.94Å; Y161-V220 HydrophobicContact CD2-CG1 4.16Å; Y161-V220 HydrophobicContact CD2-CG2 4.39Å; Y161-V220 HydrophobicContact CE1-CG1 3.8Å; Y161-V220 HydrophobicContact CE2-CB 4.26Å; Y161-V220 HydrophobicContact CE2-CG1 4.02Å; Y161-V220 HydrophobicContact CE2-CG2 3.98Å; Y161-V220 HydrophobicContact CG-CG1 4.11Å; Y161-I225 PolarHBondContact OH-O 3.44Å
162	S	93.1	Very high	95.1	Very high	58 Å²	58	55 Å²	55	41%	0.406	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.6	133.2	177.8	-171.7	0	0	0	0	110.3	K166	S162-K166 CarbonylContact C-O 3.6Å; S162-K166 VanDerWaalsContact CA-O 3.32Å; S162-K166 WeakPolarHBondContact CA-O 3.13Å; S162-K166 PolarHBondContact OG-O 3.43Å
163	R	89.8	Confident	95.2	Very high	83 Å²	83	55 Å²	55	31%	0.313	26%	0.264	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.6	131.7	173.8	-164	-177.4	-175	-168.5	1.7	108.2	Y161 K165 K166 F168 E222	Y161-R163 HydrophobicContact CD2-CB 4.46Å; Y161-R163 HydrophobicContact CE2-CB 4.17Å; R163-K165 VanDerWaalsContact C-N 3.27Å; R163-K165 PolarHBondContact O-N 3.44Å; R163-K166 PolarHBondContact N-O 2.8Å; R163-K166 PolarHBondContact O-N 3.22Å; R163-F168 HydrophobicContact CB-CD2 4.35Å; R163-F168 HydrophobicContact CB-CE2 4.2Å; R163-E222 IonicContact CZ-OE1 2.73Å; R163-E222 IonicContact NH1-OE1 3.87Å; R163-E222 IonicContact NH2-OE1 2.79Å; R163-E222 PolarHBondContact NH2-OE1 2.94Å
164	L	89.1	Confident	95.2	Very high	160 Å²	160	54.2 Å²	54.2	84%	0.838	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	51.6	42.2	179.6	-58.9	170.6	0	0	0	113.6	K166	L164-K166 PolarHBondContact O-N 2.84Å; L164-K166 VanDerWaalsContact O-N 3.16Å
165	K	89.1	Confident	95	Very high	208 Å²	208	55.3 Å²	55.3	90%	0.904	27%	0.266	S	S	*	.	T	Hydrogen-bonded Turn	trans	62.9	11.6	-177.3	-53.3	178.6	178.8	178.8	0	115.2	R163	R163-K165 VanDerWaalsContact C-N 3.27Å; R163-K165 PolarHBondContact O-N 3.44Å
166	K	92.7	Very high	94.7	Very high	142 Å²	142	54.7 Å²	54.7	62%	0.617	26%	0.263	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-108.1	139.1	171.7	-66.3	-177.9	-179.1	-179.5	0	109.5	S162 R163 L164 F168	S162-K166 CarbonylContact C-O 3.6Å; S162-K166 VanDerWaalsContact CA-O 3.32Å; S162-K166 WeakPolarHBondContact CA-O 3.13Å; S162-K166 PolarHBondContact OG-O 3.43Å; R163-K166 PolarHBondContact N-O 2.8Å; R163-K166 PolarHBondContact O-N 3.22Å; L164-K166 PolarHBondContact O-N 2.84Å; L164-K166 VanDerWaalsContact O-N 3.16Å; K166-F168 HydrophobicContact CB-CD2 4.45Å; K166-F168 HydrophobicContact CB-CE2 3.63Å; K166-F168 HydrophobicContact CB-CZ 3.82Å; K166-F168 HydrophobicContact CD-CZ 4.32Å
167	N	94.5	Very high	94.3	Very high	100 Å²	100	52.7 Å²	52.7	54%	0.535	27%	0.265	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	136.1	174.9	-65.7	-41.5	0	0	0	109.3	Y161	Y161-N167 WeakPolarHBondContact O-CA 3.22Å
168	F	95.9	Very high	94.1	Very high	56 Å²	56	52.7 Å²	52.7	25%	0.246	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.6	157.1	176.7	-62.9	-82.4	0	0	0	109.5	K160 Y161 R163 K166 I225	K160-F168 WeakPolarHBondContact CA-O 3.4Å; Y161-F168 HydrophobicContact CD1-CB 4.11Å; Y161-F168 HydrophobicContact CE1-CB 3.53Å; Y161-F168 HydrophobicContact CE2-CB 4.04Å; Y161-F168 HydrophobicContact CE2-CD2 4.04Å; Y161-F168 HydrophobicContact CE2-CG 4.37Å; Y161-F168 VanDerWaalsContact CZ-CB 3.5Å; Y161-F168 PolarHBondContact N-O 3.01Å; Y161-F168 PolarHBondContact O-N 2.84Å; R163-F168 HydrophobicContact CB-CD2 4.35Å; R163-F168 HydrophobicContact CB-CE2 4.2Å; K166-F168 HydrophobicContact CB-CD2 4.45Å; K166-F168 HydrophobicContact CB-CE2 3.63Å; K166-F168 HydrophobicContact CB-CZ 3.82Å; K166-F168 HydrophobicContact CD-CZ 4.32Å; F168-I225 HydrophobicContact CD1-CD1 3.92Å; F168-I225 HydrophobicContact CE1-CD1 3.94Å
169	T	96.3	Very high	93.9	Very high	70 Å²	70	51.8 Å²	51.8	43%	0.429	26%	0.259	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	131.1	176.1	-63.7	0	0	0	0	108.2	I130 L158 I159	I130-T169 HydrophobicContact CD1-CG2 3.8Å; L158-T169 HydrophobicContact CB-CG2 4.45Å; L158-T169 HydrophobicContact CD2-CG2 4.16Å; I159-T169 VanDerWaalsContact O-CA 3.27Å; I159-T169 WeakPolarHBondContact O-CA 3.4Å
170	A	96.3	Very high	93.5	Very high	1 Å²	1	56.1 Å²	56.1	1%	0.008	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	155.7	-178.6	0	0	0	0	0	111.7	L158 I159 Y161 N226 A228	L158-A170 WeakPolarHBondContact CA-O 3.23Å; I159-A170 HydrophobicContact CD1-CB 4.06Å; I159-A170 HydrophobicContact CG1-CB 4.08Å; I159-A170 WeakPolarHBondContact CG1-O 3.42Å; I159-A170 PolarHBondContact N-O 3.29Å; I159-A170 PolarHBondContact O-N 3.2Å; Y161-A170 HydrophobicContact CD1-CB 4.3Å; Y161-A170 HydrophobicContact CE1-CB 3.91Å; A170-N226 CarbonylContact C-O 3.47Å; A170-N226 WeakPolarHBondContact CA-O 3.45Å; A170-N226 VanDerWaalsContact CB-C 3.43Å; A170-N226 WeakPolarHBondContact CB-O 3.15Å; A170-A228 HydrophobicContact CB-CB 4.19Å
171	S	96.5	Very high	93.3	Very high	14 Å²	14	58 Å²	58	10%	0.098	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.6	125.1	166.4	-171.4	0	0	0	0	109.1	I157 N226 A228	I157-S171 WeakPolarHBondContact O-CA 3.18Å; S171-N226 PolarHBondContact N-O 3.31Å; S171-A228 PolarHBondContact O-N 3.19Å
172	L	97.1	Very high	93.1	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	29%	0.287	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.2	134.9	177.7	-174.6	69.9	0	0	0	110.6	I157 I159 A188 I210 F216 A228 L230	I157-L172 HydrophobicContact CB-CB 4.26Å; I157-L172 HydrophobicContact CG2-CB 4.26Å; I157-L172 HydrophobicContact CG2-CD2 4.24Å; I157-L172 PolarHBondContact O-N 2.99Å; I159-L172 HydrophobicContact CD1-CD1 4.49Å; I159-L172 HydrophobicContact CG1-CB 4.31Å; I159-L172 HydrophobicContact CG2-CB 3.95Å; I159-L172 HydrophobicContact CG2-CD2 4.14Å; I159-L172 HydrophobicContact CG2-CG 4.46Å; L172-A188 VanDerWaalsContact O-CA 3.22Å; L172-A188 WeakPolarHBondContact O-CA 3.43Å; L172-A188 WeakPolarHBondContact O-CB 3.27Å; L172-I210 HydrophobicContact CD2-CD1 4.17Å; L172-I210 HydrophobicContact CD2-CG1 4.22Å; L172-I210 HydrophobicContact CD2-CG2 4.06Å; L172-F216 HydrophobicContact CD1-CE2 4.09Å; L172-F216 HydrophobicContact CD2-CE2 3.97Å; L172-F216 HydrophobicContact CD2-CZ 3.9Å; L172-A228 CarbonylContact C-O 3.51Å; L172-A228 WeakPolarHBondContact CA-O 3.16Å; L172-A228 HydrophobicContact CD1-CB 4.32Å; L172-L230 HydrophobicContact CD1-CB 4.11Å
173	F	96.7	Very high	93.1	Very high	1 Å²	1	59.1 Å²	59.1	0%	0.004	28%	0.284	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120	144	168.5	-57.3	-91.5	0	0	0	109.1	T178 Y179 H183 C187 A188 E227 A228 L229 L230	F173-T178 HydrophobicContact CD1-CG2 4.37Å; F173-Y179 AromaticContact CD2-CD2 3.82Å; F173-Y179 HydrophobicContact CD2-CD2 3.82Å; F173-Y179 AromaticContact CE2-CD2 3.89Å; F173-Y179 HydrophobicContact CE2-CD2 3.89Å; F173-Y179 HydrophobicContact CE2-CE2 4.28Å; F173-Y179 HydrophobicContact CG-CD2 4.16Å; F173-Y179 HydrophobicContact CZ-CD2 4.28Å; F173-H183 HydrophobicContact CE1-CB 4.46Å; F173-H183 HydrophobicContact CZ-CB 4.37Å; F173-H183 AromaticContact CZ-ND1 3.62Å; F173-C187 WeakPolarHBondContact CD1-O 3.49Å; F173-C187 WeakPolarHBondContact CE1-O 3.24Å; F173-A188 CarbonylContact C-O 3.6Å; F173-A188 WeakPolarHBondContact CA-O 3.4Å; F173-E227 HydrophobicContact CE2-CB 4.33Å; F173-E227 HydrophobicContact CE2-CG 4.07Å; F173-A228 PolarHBondContact N-O 3.45Å; F173-L229 HydrophobicContact CB-CD2 4Å; F173-L229 CarbonylContact O-C 3.55Å; F173-L229 WeakPolarHBondContact O-CA 3.48Å; F173-L230 PolarHBondContact O-N 3.31Å
174	D	95.4	Very high	93.3	Very high	13 Å²	13	60.2 Å²	60.2	7%	0.07	30%	0.304	C	S	.	.	S	Bend	trans	-65.6	-41.1	-178	61.7	-11.3	0	0	0	112.8	T178 A188 T189 F206 H231	D174-T178 WeakPolarHBondContact OD1-CB 3.31Å; D174-T178 PolarHBondContact OD1-OG1 3.27Å; D174-T178 PolarHBondContact OD2-OG1 2.84Å; D174-A188 PolarHBondContact N-O 3.43Å; D174-T189 VanDerWaalsContact OD2-CB 3.31Å; D174-T189 WeakPolarHBondContact OD2-CB 3.26Å; D174-T189 PolarHBondContact OD2-OG1 3.33Å; D174-F206 HydrophobicContact CB-CE1 4.45Å; D174-F206 HydrophobicContact CB-CE2 3.74Å; D174-F206 HydrophobicContact CB-CZ 3.67Å; D174-H231 PolarHBondContact O-N 3.31Å
175	N	93.1	Very high	93.5	Very high	24 Å²	24	56 Å²	56	13%	0.128	28%	0.281	C	S	.	.	S	Bend	trans	-156.8	174.6	-179.2	64.1	60.9	0	0	0	112.4	A177 T178 Y179 F233	N175-A177 VanDerWaalsContact C-N 3.33Å; N175-A177 PolarHBondContact O-N 3.32Å; N175-A177 WeakPolarHBondContact OD1-CA 3.39Å; N175-A177 VanDerWaalsContact OD1-CB 3.31Å; N175-A177 WeakPolarHBondContact OD1-CB 3.46Å; N175-A177 PolarHBondContact OD1-N 2.94Å; N175-T178 PolarHBondContact O-N 3.4Å; N175-T178 PolarHBondContact OD1-N 2.82Å; N175-Y179 PolarHBondContact O-N 2.68Å; N175-F233 HydrophobicContact CB-CD2 3.89Å; N175-F233 HydrophobicContact CB-CE2 3.29Å; N175-F233 HydrophobicContact CB-CZ 4.16Å
176	I	90.9	Very high	93.8	Very high	4 Å²	4	46.2 Å²	46.2	2%	0.021	24%	0.24	C	C	.	.	H	α-helix	trans	-65.5	-30.1	-178.2	-173.3	57.6	0	0	0	114.1	H118 Y179 Q180 L229 Y234	H118-I176 HydrophobicContact CB-CD1 4.38Å; H118-I176 WeakPolarHBondContact ND1-CD1 3.37Å; I176-Y179 HydrophobicContact CD1-CD1 3.99Å; I176-Y179 HydrophobicContact CD1-CG 4.49Å; I176-Y179 WeakPolarHBondContact O-CB 3.5Å; I176-Y179 PolarHBondContact O-N 3.15Å; I176-Q180 HydrophobicContact CD1-CG 4.31Å; I176-Q180 HydrophobicContact CG1-CG 4.37Å; I176-Q180 VanDerWaalsContact O-CG 3.31Å; I176-Q180 WeakPolarHBondContact O-CG 3.28Å; I176-Q180 PolarHBondContact O-N 3.5Å; I176-L229 HydrophobicContact CB-CD1 4.44Å; I176-L229 HydrophobicContact CD1-CD1 4.35Å; I176-Y234 HydrophobicContact CG2-CD2 4.4Å; I176-Y234 HydrophobicContact CG2-CE2 3.95Å
177	A	89.8	Confident	94	Very high	43 Å²	43	39.4 Å²	39.4	36%	0.355	21%	0.21	S	C	.	.	H	α-helix	trans	-68.1	-46.5	179.1	0	0	0	0	0	110.7	N175 Y179 Q180 Y181	N175-A177 VanDerWaalsContact C-N 3.33Å; N175-A177 PolarHBondContact O-N 3.32Å; N175-A177 WeakPolarHBondContact OD1-CA 3.39Å; N175-A177 VanDerWaalsContact OD1-CB 3.31Å; N175-A177 WeakPolarHBondContact OD1-CB 3.46Å; N175-A177 PolarHBondContact OD1-N 2.94Å; A177-Y179 VanDerWaalsContact C-N 3.26Å; A177-Y179 PolarHBondContact O-N 3.49Å; A177-Q180 PolarHBondContact O-N 3.47Å; A177-Y181 WeakPolarHBondContact O-CD2 3.02Å; A177-Y181 PolarHBondContact O-N 3.23Å
178	T	93	Very high	94.1	Very high	1 Å²	1	34.8 Å²	34.8	1%	0.006	19%	0.186	C	C	.	.	H	α-helix	trans	-59.6	-41	175	-57.4	0	0	0	0	111.3	F173 D174 N175 Y182 C187 S190	F173-T178 HydrophobicContact CD1-CG2 4.37Å; D174-T178 WeakPolarHBondContact OD1-CB 3.31Å; D174-T178 PolarHBondContact OD1-OG1 3.27Å; D174-T178 PolarHBondContact OD2-OG1 2.84Å; N175-T178 PolarHBondContact O-N 3.4Å; N175-T178 PolarHBondContact OD1-N 2.82Å; T178-Y182 HydrophobicContact CG2-CD2 4.41Å; T178-Y182 WeakPolarHBondContact O-CA 3.27Å; T178-Y182 WeakPolarHBondContact O-CB 3.45Å; T178-Y182 PolarHBondContact O-N 2.96Å; T178-C187 WeakPolarHBondContact CG2-O 3.32Å; T178-S190 PolarHBondContact OG1-OG 3.48Å; T178-S190 VanDerWaalsContact OG1-OG 3.11Å
179	Y	92.6	Very high	94.1	Very high	17 Å²	17	32.3 Å²	32.3	7%	0.067	18%	0.175	C	C	.	.	H	α-helix	trans	-57.9	-52.9	174.5	178.1	-90.5	0	0	0	111.5	H118 F173 N175 I176 A177 Y181 H183 E227	H118-Y179 AromaticContact CE1-CD1 3.58Å; H118-Y179 AromaticContact CE1-CE1 3.07Å; H118-Y179 WeakPolarHBondContact CE1-CE1 3.18Å; H118-Y179 AromaticContact CE1-CZ 3.82Å; H118-Y179 AromaticContact NE2-CE1 3.38Å; H118-Y179 WeakPolarHBondContact NE2-CE1 3.17Å; F173-Y179 AromaticContact CD2-CD2 3.82Å; F173-Y179 HydrophobicContact CD2-CD2 3.82Å; F173-Y179 AromaticContact CE2-CD2 3.89Å; F173-Y179 HydrophobicContact CE2-CD2 3.89Å; F173-Y179 HydrophobicContact CE2-CE2 4.28Å; F173-Y179 HydrophobicContact CG-CD2 4.16Å; F173-Y179 HydrophobicContact CZ-CD2 4.28Å; N175-Y179 PolarHBondContact O-N 2.68Å; I176-Y179 HydrophobicContact CD1-CD1 3.99Å; I176-Y179 HydrophobicContact CD1-CG 4.49Å; I176-Y179 WeakPolarHBondContact O-CB 3.5Å; I176-Y179 PolarHBondContact O-N 3.15Å; A177-Y179 VanDerWaalsContact C-N 3.26Å; A177-Y179 PolarHBondContact O-N 3.49Å; Y179-Y181 VanDerWaalsContact C-N 3.3Å; Y179-Y181 PolarHBondContact O-N 3.11Å; Y179-H183 HydrophobicContact CD2-CB 3.98Å; Y179-H183 AromaticContact CD2-ND1 4Å; Y179-H183 HydrophobicContact CE2-CB 3.99Å; Y179-H183 AromaticContact CE2-CG 3.67Å; Y179-H183 AromaticContact CE2-ND1 3.42Å; Y179-H183 WeakPolarHBondContact CE2-ND1 3.16Å; Y179-H183 HydrophobicContact CG-CB 4.31Å; Y179-H183 AromaticContact CZ-CG 3.95Å; Y179-H183 WeakPolarHBondContact O-CA 3.33Å; Y179-H183 WeakPolarHBondContact O-CB 3.19Å; Y179-H183 PolarHBondContact O-N 3.07Å; Y179-E227 HydrophobicContact CE2-CB 4.25Å; Y179-E227 HydrophobicContact CE2-CG 4.16Å; Y179-E227 WeakPolarHBondContact CE2-OE2 3.24Å; Y179-E227 VanDerWaalsContact CZ-OE2 3.26Å; Y179-E227 PolarHBondContact OH-OE2 3.38Å
180	Q	90.1	Very high	93.9	Very high	92 Å²	92	30.3 Å²	30.3	43%	0.43	16%	0.164	S	C	.	.	H	α-helix	trans	-57.9	-39.6	-176.4	-75.7	174.9	-22.9	0	0	113.6	I176 A177	I176-Q180 HydrophobicContact CD1-CG 4.31Å; I176-Q180 HydrophobicContact CG1-CG 4.37Å; I176-Q180 VanDerWaalsContact O-CG 3.31Å; I176-Q180 WeakPolarHBondContact O-CG 3.28Å; I176-Q180 PolarHBondContact O-N 3.5Å; A177-Q180 PolarHBondContact O-N 3.47Å
181	Y	90.7	Very high	93.6	Very high	125 Å²	125	30.8 Å²	30.8	49%	0.49	17%	0.168	S	C	.	.	H	α-helix	trans	-92	-33.1	-175.4	-65.7	-68.1	0	0	0	114	E142 A177 Y179	E142-Y181 WeakPolarHBondContact OE2-CD1 3.33Å; E142-Y181 WeakPolarHBondContact OE2-CE1 3.17Å; A177-Y181 WeakPolarHBondContact O-CD2 3.02Å; A177-Y181 PolarHBondContact O-N 3.23Å; Y179-Y181 VanDerWaalsContact C-N 3.3Å; Y179-Y181 PolarHBondContact O-N 3.11Å
182	Y	93.6	Very high	93.3	Very high	18 Å²	18	33 Å²	33	7%	0.071	18%	0.182	C	C	.	.	H	α-helix	trans	-124.7	10.6	-169	-54.7	-74.4	0	0	0	114.3	V139 E142 F152 T178 S184 L185 G186 S190	V139-Y182 HydrophobicContact CG1-CD1 4.3Å; V139-Y182 HydrophobicContact CG1-CE1 4.04Å; E142-Y182 PolarHBondContact N-OH 3.5Å; E142-Y182 VanDerWaalsContact N-OH 3.1Å; F152-Y182 AromaticContact CE1-CE1 3.86Å; F152-Y182 HydrophobicContact CE1-CE1 3.86Å; F152-Y182 HydrophobicContact CE1-CE2 4.23Å; F152-Y182 AromaticContact CE1-CZ 3.7Å; F152-Y182 AromaticContact CZ-CD1 3.96Å; F152-Y182 HydrophobicContact CZ-CD1 3.96Å; F152-Y182 HydrophobicContact CZ-CD2 4.23Å; F152-Y182 AromaticContact CZ-CE1 3.75Å; F152-Y182 HydrophobicContact CZ-CE1 3.75Å; F152-Y182 HydrophobicContact CZ-CE2 4.06Å; F152-Y182 HydrophobicContact CZ-CG 4.18Å; F152-Y182 AromaticContact CZ-CZ 3.81Å; T178-Y182 HydrophobicContact CG2-CD2 4.41Å; T178-Y182 WeakPolarHBondContact O-CA 3.27Å; T178-Y182 WeakPolarHBondContact O-CB 3.45Å; T178-Y182 PolarHBondContact O-N 2.96Å; Y182-S184 PolarHBondContact O-N 3.46Å; Y182-L185 HydrophobicContact CD1-CD1 4.25Å; Y182-L185 PolarHBondContact O-N 3.34Å; Y182-L185 VanDerWaalsContact O-N 3.16Å; Y182-G186 PolarHBondContact O-N 3.28Å; Y182-S190 VanDerWaalsContact CD2-CB 3.5Å; Y182-S190 WeakPolarHBondContact CD2-OG 3.33Å; Y182-S190 WeakPolarHBondContact CE2-OG 3.46Å
183	H	92.3	Very high	92.9	Very high	70 Å²	70	37.2 Å²	37.2	32%	0.324	20%	0.202	S	C	.	.	T	Hydrogen-bonded Turn	trans	-55.4	-39.3	174.8	167	64.7	0	0	0	112.6	F173 Y179 L185 G186 E227	F173-H183 HydrophobicContact CE1-CB 4.46Å; F173-H183 HydrophobicContact CZ-CB 4.37Å; F173-H183 AromaticContact CZ-ND1 3.62Å; Y179-H183 HydrophobicContact CD2-CB 3.98Å; Y179-H183 AromaticContact CD2-ND1 4Å; Y179-H183 HydrophobicContact CE2-CB 3.99Å; Y179-H183 AromaticContact CE2-CG 3.67Å; Y179-H183 AromaticContact CE2-ND1 3.42Å; Y179-H183 WeakPolarHBondContact CE2-ND1 3.16Å; Y179-H183 HydrophobicContact CG-CB 4.31Å; Y179-H183 AromaticContact CZ-CG 3.95Å; Y179-H183 WeakPolarHBondContact O-CA 3.33Å; Y179-H183 WeakPolarHBondContact O-CB 3.19Å; Y179-H183 PolarHBondContact O-N 3.07Å; H183-L185 VanDerWaalsContact C-N 3.28Å; H183-L185 PolarHBondContact O-N 2.95Å; H183-G186 PolarHBondContact O-N 3.49Å; H183-E227 IonicContact CE1-OE1 3.5Å; H183-E227 PolarHBondContact CE1-OE1 3.34Å; H183-E227 IonicContact CE1-OE2 3.85Å; H183-E227 PolarHBondContact CE1-OE2 2.9Å; H183-E227 IonicContact ND1-OE1 3.77Å; H183-E227 IonicContact ND1-OE2 3.84Å; H183-E227 IonicContact NE2-OE1 3.73Å
184	S	93.6	Very high	92.6	Very high	106 Å²	106	46.8 Å²	46.8	74%	0.741	24%	0.238	S	C	*	.	T	Hydrogen-bonded Turn	trans	-60.3	-33.7	178.8	60.7	0	0	0	0	113.8	Y182	Y182-S184 PolarHBondContact O-N 3.46Å
185	L	93.7	Very high	92.4	Very high	70 Å²	70	50.9 Å²	50.9	37%	0.366	26%	0.257	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.6	-26	174.1	-63.1	173.2	0	0	0	111.4	V139 R156 Y182 H183 C187	V139-L185 HydrophobicContact CG1-CD1 3.84Å; V139-L185 HydrophobicContact CG2-CD1 4.23Å; R156-L185 PolarHBondContact NH2-O 3.35Å; Y182-L185 HydrophobicContact CD1-CD1 4.25Å; Y182-L185 PolarHBondContact O-N 3.34Å; Y182-L185 VanDerWaalsContact O-N 3.16Å; H183-L185 VanDerWaalsContact C-N 3.28Å; H183-L185 PolarHBondContact O-N 2.95Å; L185-C187 VanDerWaalsContact CB-SG 3.56Å
186	G	94.6	Very high	92.3	Very high	3 Å²	3	53.7 Å²	53.7	3%	0.031	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	71	39.3	-174.9	0	0	0	0	0	112.4	R156 Y182 H183	R156-G186 WeakPolarHBondContact CA-O 3.26Å; R156-G186 VanDerWaalsContact CB-O 3.28Å; R156-G186 WeakPolarHBondContact CB-O 3.49Å; R156-G186 WeakPolarHBondContact CG-O 3.22Å; Y182-G186 PolarHBondContact O-N 3.28Å; H183-G186 PolarHBondContact O-N 3.49Å
187	C	96.5	Very high	92.5	Very high	0 Å²	0	57 Å²	57	0%	0	30%	0.295	C	S	.	.			trans	-79.6	129.2	174.6	-50.4	0	0	0	0	110	F152 C154 F173 T178 L185	F152-C187 HydrophobicContact CE2-CB 4.24Å; C154-C187 HydrophobicContact CB-CB 4.04Å; C154-C187 WeakPolarHBondContact CB-SG 3.41Å; C154-C187 WeakPolarHBondContact SG-CA 3.36Å; C154-C187 WeakPolarHBondContact SG-CB 3.29Å; C154-C187 CovalentContact SG-SG 2.03Å; C154-C187 PolarHBondContact SG-SG 3.48Å; F173-C187 WeakPolarHBondContact CD1-O 3.49Å; F173-C187 WeakPolarHBondContact CE1-O 3.24Å; T178-C187 WeakPolarHBondContact CG2-O 3.32Å; L185-C187 VanDerWaalsContact CB-SG 3.56Å
188	A	96.8	Very high	92.7	Very high	2 Å²	2	56.5 Å²	56.5	2%	0.017	29%	0.291	C	S	.	.	S	Bend	trans	-74.8	-29.1	-173.8	0	0	0	0	0	114.1	I155 I157 L172 F173 D174 F206	I155-A188 VanDerWaalsContact O-CB 3.28Å; I155-A188 WeakPolarHBondContact O-CB 3.23Å; I155-A188 PolarHBondContact O-N 2.8Å; I157-A188 HydrophobicContact CB-CB 4.06Å; I157-A188 HydrophobicContact CD1-CB 3.92Å; I157-A188 HydrophobicContact CG1-CB 3.78Å; L172-A188 VanDerWaalsContact O-CA 3.22Å; L172-A188 WeakPolarHBondContact O-CA 3.43Å; L172-A188 WeakPolarHBondContact O-CB 3.27Å; F173-A188 CarbonylContact C-O 3.6Å; F173-A188 WeakPolarHBondContact CA-O 3.4Å; D174-A188 PolarHBondContact N-O 3.43Å; A188-F206 HydrophobicContact CB-CE1 4.02Å
189	T	96	Very high	92.8	Very high	4 Å²	4	56.4 Å²	56.4	3%	0.025	29%	0.291	C	S	.	.			trans	-144.8	149.8	174.6	-175.8	0	0	0	0	109.2	F152 D174 W202 V203 F206	F152-T189 WeakPolarHBondContact CE2-O 3.29Å; D174-T189 VanDerWaalsContact OD2-CB 3.31Å; D174-T189 WeakPolarHBondContact OD2-CB 3.26Å; D174-T189 PolarHBondContact OD2-OG1 3.33Å; T189-W202 PolarHBondContact OG1-NE1 3.39Å; T189-V203 HydrophobicContact CG2-CB 4.36Å; T189-V203 HydrophobicContact CG2-CG2 3.94Å; T189-F206 HydrophobicContact CG2-CB 4.05Å; T189-F206 HydrophobicContact CG2-CD1 3.62Å; T189-F206 HydrophobicContact CG2-CE1 4.31Å; T189-F206 HydrophobicContact CG2-CG 3.94Å
190	S	91.8	Very high	92.9	Very high	29 Å²	29	59.9 Å²	59.9	20%	0.203	31%	0.307	C	S	.	.			trans	-129.7	104	171.5	60.1	0	0	0	0	109.5	T178 Y182	T178-S190 PolarHBondContact OG1-OG 3.48Å; T178-S190 VanDerWaalsContact OG1-OG 3.11Å; Y182-S190 VanDerWaalsContact CD2-CB 3.5Å; Y182-S190 WeakPolarHBondContact CD2-OG 3.33Å; Y182-S190 WeakPolarHBondContact CE2-OG 3.46Å
191	S	90.2	Very high	93.2	Very high	11 Å²	11	61.1 Å²	61.1	8%	0.077	31%	0.313	C	S	.	.			trans	-103.8	131.3	166.6	-179.5	0	0	0	0	109.6	H193 N199	S191-H193 PolarHBondContact OG-CD2 3.27Å; S191-H193 PolarHBondContact OG-NE2 2.86Å; S191-H193 VanDerWaalsContact OG-NE2 3.08Å; S191-N199 PolarHBondContact O-OD1 3.26Å
192	C	90.4	Very high	93.5	Very high	60 Å²	60	61.2 Å²	61.2	41%	0.405	31%	0.313	S	S	.	.			trans	-125.3	50.8	-172.7	-73.4	0	0	0	0	111.5	C141	C141-C192 HydrophobicContact CB-CB 3.73Å; C141-C192 WeakPolarHBondContact CB-SG 3.43Å; C141-C192 WeakPolarHBondContact SG-CA 3.33Å; C141-C192 WeakPolarHBondContact SG-CB 3.48Å; C141-C192 CovalentContact SG-SG 2.04Å; C141-C192 PolarHBondContact SG-SG 3.14Å
193	H	90.3	Very high	93.7	Very high	89 Å²	89	60.5 Å²	60.5	41%	0.412	31%	0.31	S	S	.	.			trans	-62.6	160.6	165.2	-58.5	-64.2	0	0	0	111	S150 S191 Q195 A198 N199	S150-H193 WeakPolarHBondContact CB-O 3.36Å; S150-H193 PolarHBondContact OG-O 3.34Å; S191-H193 PolarHBondContact OG-CD2 3.27Å; S191-H193 PolarHBondContact OG-NE2 2.86Å; S191-H193 VanDerWaalsContact OG-NE2 3.08Å; H193-Q195 VanDerWaalsContact C-N 3.25Å; H193-Q195 PolarHBondContact O-N 2.88Å; H193-A198 HydrophobicContact CB-CB 4.08Å; H193-N199 WeakPolarHBondContact CA-OD1 3.3Å; H193-N199 VanDerWaalsContact CB-OD1 3.24Å; H193-N199 WeakPolarHBondContact CB-OD1 3.28Å; H193-N199 PolarHBondContact N-OD1 3.28Å; H193-N199 PolarHBondContact O-ND2 2.98Å
194	R	88.8	Confident	93.9	Very high	202 Å²	202	60 Å²	60	76%	0.762	31%	0.308	S	S	*	.	S	Bend	trans	-59	-35.8	179.2	-170	-173.1	65.6	73	-4	112.6
195	Q	90.9	Very high	94.1	Very high	99 Å²	99	58.8 Å²	58.8	46%	0.463	29%	0.293	S	S	.	.	S	Bend	trans	-98.4	131.8	-178.3	-59.4	-176.4	33.3	0	0	111	H193 S197 A198 N199	H193-Q195 VanDerWaalsContact C-N 3.25Å; H193-Q195 PolarHBondContact O-N 2.88Å; Q195-S197 VanDerWaalsContact C-N 3.26Å; Q195-S197 PolarHBondContact O-N 2.91Å; Q195-A198 HydrophobicContact CB-CB 4.47Å; Q195-A198 PolarHBondContact O-N 2.73Å; Q195-N199 PolarHBondContact O-N 2.97Å; Q195-N199 PolarHBondContact O-ND2 2.92Å
196	N	92.1	Very high	94.2	Very high	82 Å²	82	56.5 Å²	56.5	44%	0.439	28%	0.28	S	S	.	.	H	α-helix	trans	-64	-30.9	178.2	-69.2	-4.9	0	0	0	113	S150 S151 N199 H200	S150-N196 VanDerWaalsContact CA-OD1 3.25Å; S150-N196 WeakPolarHBondContact CA-OD1 3.4Å; S150-N196 VanDerWaalsContact CB-OD1 3.31Å; S150-N196 WeakPolarHBondContact CB-OD1 3.49Å; S151-N196 PolarHBondContact N-OD1 2.94Å; S151-N196 PolarHBondContact O-OD1 3.01Å; S151-N196 PolarHBondContact OG-ND2 3.34Å; N196-N199 PolarHBondContact O-N 3.44Å; N196-H200 PolarHBondContact O-N 2.94Å
197	S	94.6	Very high	94.3	Very high	73 Å²	73	57 Å²	57	51%	0.51	28%	0.283	S	S	.	.	H	α-helix	trans	-60.4	-47.1	176.4	46.4	0	0	0	0	111.9	Q195 N199 H200 E201	Q195-S197 VanDerWaalsContact C-N 3.26Å; Q195-S197 PolarHBondContact O-N 2.91Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 3.43Å; S197-H200 PolarHBondContact O-N 2.94Å; S197-E201 PolarHBondContact O-N 3.49Å
198	A	94.8	Very high	94.3	Very high	33 Å²	33	62 Å²	62	27%	0.273	31%	0.306	S	S	.	.	H	α-helix	trans	-62.3	-37.5	177.2	0	0	0	0	0	112	H193 Q195 E201 W202	H193-A198 HydrophobicContact CB-CB 4.08Å; Q195-A198 HydrophobicContact CB-CB 4.47Å; Q195-A198 PolarHBondContact O-N 2.73Å; A198-E201 PolarHBondContact O-N 2.81Å; A198-W202 WeakPolarHBondContact O-CB 3.12Å; A198-W202 PolarHBondContact O-N 3.01Å
199	N	94.6	Very high	94.3	Very high	0 Å²	0	66.8 Å²	66.8	0%	0	33%	0.331	C	S	.	.	H	α-helix	trans	-66.9	-41.2	175.9	-60.1	-22.5	0	0	0	111.8	S151 F152 S191 H193 Q195 N196 S197 W202 V203	S151-N199 PolarHBondContact O-ND2 2.99Å; S151-N199 VanDerWaalsContact O-ND2 3.16Å; F152-N199 HydrophobicContact CB-CB 3.83Å; S191-N199 PolarHBondContact O-OD1 3.26Å; H193-N199 WeakPolarHBondContact CA-OD1 3.3Å; H193-N199 VanDerWaalsContact CB-OD1 3.24Å; H193-N199 WeakPolarHBondContact CB-OD1 3.28Å; H193-N199 PolarHBondContact N-OD1 3.28Å; H193-N199 PolarHBondContact O-ND2 2.98Å; Q195-N199 PolarHBondContact O-N 2.97Å; Q195-N199 PolarHBondContact O-ND2 2.92Å; N196-N199 PolarHBondContact O-N 3.44Å; S197-N199 VanDerWaalsContact C-N 3.3Å; S197-N199 PolarHBondContact O-N 3.43Å; N199-W202 PolarHBondContact O-N 2.9Å; N199-V203 VanDerWaalsContact O-CG2 3.3Å; N199-V203 WeakPolarHBondContact O-CG2 3.49Å; N199-V203 PolarHBondContact O-N 3.26Å; N199-V203 VanDerWaalsContact O-N 3.09Å
200	H	95.6	Very high	94.3	Very high	89 Å²	89	66.8 Å²	66.8	41%	0.412	33%	0.331	S	S	.	.	H	α-helix	trans	-63.1	-47	176.2	-179	70.3	0	0	0	111.2	Q153 N196 S197 W202 V203 Q204	Q153-H200 PolarHBondContact OE1-CE1 3.06Å; Q153-H200 VanDerWaalsContact OE1-CE1 3.24Å; Q153-H200 PolarHBondContact OE1-ND1 3.4Å; N196-H200 PolarHBondContact O-N 2.94Å; S197-H200 PolarHBondContact O-N 2.94Å; H200-W202 VanDerWaalsContact C-N 3.34Å; H200-W202 PolarHBondContact O-N 3.44Å; H200-V203 PolarHBondContact O-N 3.34Å; H200-Q204 WeakPolarHBondContact O-CG 3.02Å; H200-Q204 PolarHBondContact O-N 3.11Å
201	E	96.4	Very high	94.5	Very high	119 Å²	119	71.7 Å²	71.7	56%	0.556	35%	0.349	S	S	*	.	H	α-helix	trans	-58.8	-44.4	176.1	-177.6	176.5	-176.9	0	0	111.6	S197 A198 V203 Q204 N205	S197-E201 PolarHBondContact O-N 3.49Å; A198-E201 PolarHBondContact O-N 2.81Å; E201-V203 PolarHBondContact O-N 2.9Å; E201-Q204 PolarHBondContact O-N 2.87Å; E201-N205 WeakPolarHBondContact CG-ND2 3.24Å; E201-N205 VanDerWaalsContact O-CB 3.31Å; E201-N205 WeakPolarHBondContact O-CB 3.11Å; E201-N205 PolarHBondContact O-N 2.88Å; E201-N205 PolarHBondContact O-ND2 2.92Å
202	W	96.5	Very high	94.8	Very high	126 Å²	126	77.4 Å²	77.4	48%	0.477	38%	0.378	S	S	.	.	H	α-helix	trans	-57	-49.8	176.1	-177.7	-83.3	0	0	0	112.6	T189 A198 N199 H200 Q204 N205 F206	T189-W202 PolarHBondContact OG1-NE1 3.39Å; A198-W202 WeakPolarHBondContact O-CB 3.12Å; A198-W202 PolarHBondContact O-N 3.01Å; N199-W202 PolarHBondContact O-N 2.9Å; H200-W202 VanDerWaalsContact C-N 3.34Å; H200-W202 PolarHBondContact O-N 3.44Å; W202-Q204 VanDerWaalsContact C-N 3.33Å; W202-Q204 PolarHBondContact O-N 3.28Å; W202-N205 PolarHBondContact O-N 2.83Å; W202-F206 WeakPolarHBondContact O-CB 3.38Å; W202-F206 PolarHBondContact O-N 3.28Å
203	V	97	Very high	95	Very high	3 Å²	3	76.9 Å²	76.9	2%	0.018	37%	0.373	C	S	.	.	H	α-helix	trans	-62.1	-42.5	-179.6	171.6	0	0	0	0	111	F152 Q153 I155 T189 N199 H200 E201 C207	F152-V203 HydrophobicContact CD2-CG2 4.45Å; Q153-V203 HydrophobicContact CB-CG1 4.42Å; Q153-V203 WeakPolarHBondContact O-CG1 3.46Å; Q153-V203 WeakPolarHBondContact O-CG2 3.42Å; I155-V203 HydrophobicContact CB-CG1 4.3Å; I155-V203 HydrophobicContact CD1-CG1 3.6Å; I155-V203 HydrophobicContact CG1-CG1 3.84Å; T189-V203 HydrophobicContact CG2-CB 4.36Å; T189-V203 HydrophobicContact CG2-CG2 3.94Å; N199-V203 VanDerWaalsContact O-CG2 3.3Å; N199-V203 WeakPolarHBondContact O-CG2 3.49Å; N199-V203 PolarHBondContact O-N 3.26Å; N199-V203 VanDerWaalsContact O-N 3.09Å; H200-V203 PolarHBondContact O-N 3.34Å; E201-V203 PolarHBondContact O-N 2.9Å; V203-C207 WeakPolarHBondContact O-CB 3.23Å; V203-C207 PolarHBondContact O-N 3.31Å
204	Q	96.5	Very high	95.1	Very high	60 Å²	60	78.9 Å²	78.9	28%	0.28	39%	0.391	S	S	.	.	H	α-helix	trans	-66.4	-46.1	178.6	-68.9	-59.4	-37.7	0	0	111.6	H200 E201 W202 F206 C207 Q208	H200-Q204 WeakPolarHBondContact O-CG 3.02Å; H200-Q204 PolarHBondContact O-N 3.11Å; E201-Q204 PolarHBondContact O-N 2.87Å; W202-Q204 VanDerWaalsContact C-N 3.33Å; W202-Q204 PolarHBondContact O-N 3.28Å; Q204-F206 VanDerWaalsContact C-N 3.33Å; Q204-F206 PolarHBondContact O-N 2.86Å; Q204-C207 PolarHBondContact O-N 2.74Å; Q204-Q208 WeakPolarHBondContact O-CB 3.46Å; Q204-Q208 WeakPolarHBondContact O-CG 3.34Å; Q204-Q208 PolarHBondContact O-N 3.24Å
205	N	97.2	Very high	95.4	Very high	80 Å²	80	74.6 Å²	74.6	43%	0.428	38%	0.38	S	S	.	.	H	α-helix	trans	-61.1	-42.6	176.8	-73	-16.6	0	0	0	111.4	E201 W202 Q208 L209	E201-N205 WeakPolarHBondContact CG-ND2 3.24Å; E201-N205 VanDerWaalsContact O-CB 3.31Å; E201-N205 WeakPolarHBondContact O-CB 3.11Å; E201-N205 PolarHBondContact O-N 2.88Å; E201-N205 PolarHBondContact O-ND2 2.92Å; W202-N205 PolarHBondContact O-N 2.83Å; N205-Q208 PolarHBondContact O-N 3.41Å; N205-L209 WeakPolarHBondContact O-CB 3.23Å; N205-L209 PolarHBondContact O-N 3.43Å
206	F	96.8	Very high	95.6	Very high	23 Å²	23	71 Å²	71	10%	0.101	36%	0.363	C	S	.	.	H	α-helix	trans	-60.8	-47.5	174.5	-179.5	-103.5	0	0	0	111.7	I157 D174 A188 T189 W202 Q204 Q208 L209 I210 L230	I157-F206 HydrophobicContact CD1-CD1 3.99Å; I157-F206 HydrophobicContact CD1-CE1 3.73Å; D174-F206 HydrophobicContact CB-CE1 4.45Å; D174-F206 HydrophobicContact CB-CE2 3.74Å; D174-F206 HydrophobicContact CB-CZ 3.67Å; A188-F206 HydrophobicContact CB-CE1 4.02Å; T189-F206 HydrophobicContact CG2-CB 4.05Å; T189-F206 HydrophobicContact CG2-CD1 3.62Å; T189-F206 HydrophobicContact CG2-CE1 4.31Å; T189-F206 HydrophobicContact CG2-CG 3.94Å; W202-F206 WeakPolarHBondContact O-CB 3.38Å; W202-F206 PolarHBondContact O-N 3.28Å; Q204-F206 VanDerWaalsContact C-N 3.33Å; Q204-F206 PolarHBondContact O-N 2.86Å; F206-Q208 VanDerWaalsContact C-N 3.31Å; F206-Q208 PolarHBondContact O-N 3.03Å; F206-L209 PolarHBondContact O-N 3.18Å; F206-I210 HydrophobicContact CE1-CG1 4.26Å; F206-I210 HydrophobicContact CE2-CD1 4.38Å; F206-I210 HydrophobicContact CE2-CG1 4.26Å; F206-I210 HydrophobicContact CZ-CD1 4.38Å; F206-I210 HydrophobicContact CZ-CG1 4.06Å; F206-I210 WeakPolarHBondContact O-CG1 3.46Å; F206-I210 PolarHBondContact O-N 3.3Å; F206-I210 VanDerWaalsContact O-N 3.11Å; F206-L230 HydrophobicContact CE2-CD2 3.6Å; F206-L230 HydrophobicContact CZ-CD2 3.94Å
207	C	96.5	Very high	95.8	Very high	12 Å²	12	70.5 Å²	70.5	8%	0.081	36%	0.363	C	S	.	.	H	α-helix	trans	-61.6	-39.9	177.5	-171.1	0	0	0	0	112.1	S132 V203 Q204 K211	S132-C207 PolarHBondContact OG-SG 3.46Å; V203-C207 WeakPolarHBondContact O-CB 3.23Å; V203-C207 PolarHBondContact O-N 3.31Å; Q204-C207 PolarHBondContact O-N 2.74Å; C207-K211 VanDerWaalsContact O-CB 3.26Å; C207-K211 WeakPolarHBondContact O-CB 3.26Å; C207-K211 PolarHBondContact O-N 3.48Å
208	Q	96.9	Very high	95.9	Very high	106 Å²	106	67 Å²	67	50%	0.495	34%	0.339	S	S	.	.	H	α-helix	trans	-66.5	-43.8	177	-73.9	179.7	0.2	0	0	112	Q204 N205 F206 I210 K211 N212	Q204-Q208 WeakPolarHBondContact O-CB 3.46Å; Q204-Q208 WeakPolarHBondContact O-CG 3.34Å; Q204-Q208 PolarHBondContact O-N 3.24Å; N205-Q208 PolarHBondContact O-N 3.41Å; F206-Q208 VanDerWaalsContact C-N 3.31Å; F206-Q208 PolarHBondContact O-N 3.03Å; Q208-I210 VanDerWaalsContact C-N 3.33Å; Q208-I210 PolarHBondContact O-N 2.95Å; Q208-K211 PolarHBondContact O-N 3.46Å; Q208-N212 WeakPolarHBondContact O-CB 3.47Å; Q208-N212 PolarHBondContact O-N 3.27Å
209	L	96.3	Very high	95.9	Very high	103 Å²	103	68.4 Å²	68.4	54%	0.539	34%	0.338	S	S	.	.	H	α-helix	trans	-55.8	-48.9	176.7	179.1	69.4	0	0	0	111.1	N205 F206 N212 T213	N205-L209 WeakPolarHBondContact O-CB 3.23Å; N205-L209 PolarHBondContact O-N 3.43Å; F206-L209 PolarHBondContact O-N 3.18Å; L209-N212 PolarHBondContact O-N 3.44Å; L209-T213 PolarHBondContact O-N 3.46Å; L209-T213 PolarHBondContact O-OG1 2.95Å
210	I	96.5	Very high	95.9	Very high	4 Å²	4	68.6 Å²	68.6	2%	0.021	34%	0.339	C	S	.	.	H	α-helix	trans	-67.6	-42.4	179.6	-59.5	-57.8	0	0	0	111.4	Y129 I157 L172 F206 Q208 N212 T213 F216 L230	Y129-I210 HydrophobicContact CD2-CG2 4.02Å; I157-I210 HydrophobicContact CD1-CB 4.41Å; I157-I210 HydrophobicContact CD1-CG1 4.39Å; I157-I210 HydrophobicContact CG2-CG2 4.13Å; L172-I210 HydrophobicContact CD2-CD1 4.17Å; L172-I210 HydrophobicContact CD2-CG1 4.22Å; L172-I210 HydrophobicContact CD2-CG2 4.06Å; F206-I210 HydrophobicContact CE1-CG1 4.26Å; F206-I210 HydrophobicContact CE2-CD1 4.38Å; F206-I210 HydrophobicContact CE2-CG1 4.26Å; F206-I210 HydrophobicContact CZ-CD1 4.38Å; F206-I210 HydrophobicContact CZ-CG1 4.06Å; F206-I210 WeakPolarHBondContact O-CG1 3.46Å; F206-I210 PolarHBondContact O-N 3.3Å; F206-I210 VanDerWaalsContact O-N 3.11Å; Q208-I210 VanDerWaalsContact C-N 3.33Å; Q208-I210 PolarHBondContact O-N 2.95Å; I210-N212 VanDerWaalsContact C-N 3.3Å; I210-N212 PolarHBondContact O-N 3.02Å; I210-T213 PolarHBondContact O-N 3.28Å; I210-T213 VanDerWaalsContact O-N 3.17Å; I210-F216 HydrophobicContact CG2-CE1 3.79Å; I210-F216 HydrophobicContact CG2-CZ 3.87Å; I210-L230 HydrophobicContact CD1-CD1 4.11Å; I210-L230 HydrophobicContact CD1-CD2 3.7Å
211	K	95.8	Very high	95.6	Very high	132 Å²	132	65.5 Å²	65.5	57%	0.574	32%	0.324	S	S	*	.	H	α-helix	trans	-63.5	-35.5	179.4	-175.7	178.3	178	-176.8	0	112.7	Y129 C207 Q208 T213	Y129-K211 HydrophobicContact CD1-CG 4.48Å; Y129-K211 HydrophobicContact CE1-CG 4.04Å; C207-K211 VanDerWaalsContact O-CB 3.26Å; C207-K211 WeakPolarHBondContact O-CB 3.26Å; C207-K211 PolarHBondContact O-N 3.48Å; Q208-K211 PolarHBondContact O-N 3.46Å; K211-T213 VanDerWaalsContact C-N 3.26Å; K211-T213 PolarHBondContact O-N 3.46Å
212	N	96.4	Very high	95.1	Very high	130 Å²	130	64.9 Å²	64.9	70%	0.695	32%	0.321	S	S	*	.	H	α-helix	trans	-79	-11.5	179.6	-67.8	-7	0	0	0	112.7	Q208 L209 I210	Q208-N212 WeakPolarHBondContact O-CB 3.47Å; Q208-N212 PolarHBondContact O-N 3.27Å; L209-N212 PolarHBondContact O-N 3.44Å; I210-N212 VanDerWaalsContact C-N 3.3Å; I210-N212 PolarHBondContact O-N 3.02Å
213	T	94.7	Very high	94.7	Very high	49 Å²	49	65.3 Å²	65.3	30%	0.301	33%	0.333	S	S	.	.			trans	-96.7	116	-179.3	-55	0	0	0	0	110.2	L209 I210 K211 Q215 F216	L209-T213 PolarHBondContact O-N 3.46Å; L209-T213 PolarHBondContact O-OG1 2.95Å; I210-T213 PolarHBondContact O-N 3.28Å; I210-T213 VanDerWaalsContact O-N 3.17Å; K211-T213 VanDerWaalsContact C-N 3.26Å; K211-T213 PolarHBondContact O-N 3.46Å; T213-Q215 WeakPolarHBondContact CG2-O 3.47Å; T213-F216 HydrophobicContact CG2-CB 4Å; T213-F216 HydrophobicContact CG2-CD1 3.98Å; T213-F216 HydrophobicContact CG2-CG 4.47Å
214	V	91.4	Very high	94.4	Very high	131 Å²	131	69.1 Å²	69.1	79%	0.794	35%	0.35	S	S	*	.	S	Bend	trans	-64.4	-45.6	-177.4	179.2	0	0	0	0	111.7
215	Q	95.3	Very high	94.2	Very high	113 Å²	113	69.2 Å²	69.2	53%	0.528	35%	0.352	S	S	.	.			trans	-146.8	139	179.7	-171.4	170.2	40.8	0	0	109.7	N126 C127 T128 T213	N126-Q215 HydrophobicContact CB-CG 4.04Å; N126-Q215 VanDerWaalsContact CB-NE2 3.3Å; C127-Q215 WeakPolarHBondContact O-CA 3.34Å; C127-Q215 WeakPolarHBondContact O-CG 3.35Å; T128-Q215 HydrophobicContact CG2-CB 4.34Å; T128-Q215 HydrophobicContact CG2-CG 4.25Å; T213-Q215 WeakPolarHBondContact CG2-O 3.47Å
216	F	96.4	Very high	94	Very high	22 Å²	22	70.2 Å²	70.2	10%	0.096	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.4	155.8	178.7	52.3	-89.2	0	0	0	110.6	C127 I159 L172 I210 T213 C218 L230	C127-F216 HydrophobicContact CB-CD2 4.24Å; C127-F216 HydrophobicContact CB-CE2 3.85Å; C127-F216 HydrophobicContact CB-CZ 4.15Å; C127-F216 PolarHBondContact N-O 2.93Å; C127-F216 PolarHBondContact O-N 3.22Å; I159-F216 HydrophobicContact CG2-CE2 4.49Å; I159-F216 HydrophobicContact CG2-CZ 3.77Å; L172-F216 HydrophobicContact CD1-CE2 4.09Å; L172-F216 HydrophobicContact CD2-CE2 3.97Å; L172-F216 HydrophobicContact CD2-CZ 3.9Å; I210-F216 HydrophobicContact CG2-CE1 3.79Å; I210-F216 HydrophobicContact CG2-CZ 3.87Å; T213-F216 HydrophobicContact CG2-CB 4Å; T213-F216 HydrophobicContact CG2-CD1 3.98Å; T213-F216 HydrophobicContact CG2-CG 4.47Å; F216-C218 HydrophobicContact CD2-CB 4.38Å; F216-C218 HydrophobicContact CE2-CB 4.28Å; F216-L230 HydrophobicContact CD2-CD1 3.43Å; F216-L230 VanDerWaalsContact CD2-CD1 3.43Å; F216-L230 HydrophobicContact CE2-CD1 3.71Å; F216-L230 HydrophobicContact CG-CD1 4.29Å
217	T	95.6	Very high	93.9	Very high	73 Å²	73	70.2 Å²	70.2	45%	0.448	36%	0.358	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	129.6	172	-52	0	0	0	0	109	P124 T125	P124-T217 HydrophobicContact CB-CG2 4.26Å; T125-T217 WeakPolarHBondContact O-CA 3.38Å
218	C	95.9	Very high	93.9	Very high	0 Å²	0	69.6 Å²	69.6	0%	0	35%	0.354	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.9	165.6	175.2	58.7	0	0	0	0	107.7	P124 T125 C127 F216 L229	P124-C218 CarbonylContact C-O 3.49Å; P124-C218 WeakPolarHBondContact CA-O 3.31Å; T125-C218 WeakPolarHBondContact CG2-SG 3.5Å; T125-C218 PolarHBondContact N-O 3.37Å; T125-C218 PolarHBondContact O-N 2.79Å; T125-C218 VanDerWaalsContact O-O 3.07Å; T125-C218 PolarHBondContact O-SG 3.44Å; C127-C218 HydrophobicContact CB-CB 3.67Å; C127-C218 WeakPolarHBondContact CB-SG 3.5Å; C127-C218 WeakPolarHBondContact SG-CB 3.21Å; C127-C218 CovalentContact SG-SG 1.98Å; C127-C218 PolarHBondContact SG-SG 3.31Å; F216-C218 HydrophobicContact CD2-CB 4.38Å; F216-C218 HydrophobicContact CE2-CB 4.28Å; C218-L229 CarbonylContact C-O 3.45Å; C218-L229 WeakPolarHBondContact CA-O 3.3Å
219	Y	95.2	Very high	93.8	Very high	62 Å²	62	64.6 Å²	64.6	24%	0.243	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-120.4	124.4	178.7	-53.6	-94.2	0	0	0	109.3	F122 L123 P124 A228 L229 K232	F122-Y219 WeakPolarHBondContact CD1-O 3.26Å; L123-Y219 CarbonylContact O-C 3.55Å; L123-Y219 VanDerWaalsContact O-CA 3.27Å; L123-Y219 WeakPolarHBondContact O-CA 3.44Å; P124-Y219 HydrophobicContact CB-CD1 3.91Å; P124-Y219 HydrophobicContact CB-CE1 3.83Å; Y219-A228 CarbonylContact O-C 3.55Å; Y219-A228 VanDerWaalsContact O-CA 3.24Å; Y219-A228 WeakPolarHBondContact O-CA 3.27Å; Y219-L229 PolarHBondContact N-O 3.21Å; Y219-L229 PolarHBondContact O-N 2.98Å; Y219-K232 HydrophobicContact CD1-CD 3.79Å; Y219-K232 HydrophobicContact CD1-CG 4.2Å; Y219-K232 HydrophobicContact CD2-CD 4.34Å; Y219-K232 HydrophobicContact CD2-CG 3.82Å; Y219-K232 HydrophobicContact CE1-CD 3.89Å; Y219-K232 HydrophobicContact CE1-CG 4.27Å; Y219-K232 HydrophobicContact CE2-CD 4.45Å; Y219-K232 HydrophobicContact CE2-CG 3.93Å; Y219-K232 HydrophobicContact CG-CD 4.01Å; Y219-K232 HydrophobicContact CG-CG 3.96Å
220	V	94.5	Very high	93.8	Very high	4 Å²	4	60.3 Å²	60.3	2%	0.024	31%	0.308	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.3	140	-176.8	-66.5	0	0	0	0	110.3	F122 L123 T125 Y161 A228	F122-V220 CarbonylContact C-O 3.55Å; F122-V220 WeakPolarHBondContact CA-O 3.28Å; L123-V220 PolarHBondContact N-O 3.34Å; L123-V220 PolarHBondContact O-N 3.46Å; T125-V220 HydrophobicContact CG2-CB 4.36Å; T125-V220 HydrophobicContact CG2-CG1 3.73Å; T125-V220 HydrophobicContact CG2-CG2 3.71Å; Y161-V220 HydrophobicContact CD1-CG1 3.94Å; Y161-V220 HydrophobicContact CD2-CG1 4.16Å; Y161-V220 HydrophobicContact CD2-CG2 4.39Å; Y161-V220 HydrophobicContact CE1-CG1 3.8Å; Y161-V220 HydrophobicContact CE2-CB 4.26Å; Y161-V220 HydrophobicContact CE2-CG1 4.02Å; Y161-V220 HydrophobicContact CE2-CG2 3.98Å; Y161-V220 HydrophobicContact CG-CG1 4.11Å; V220-A228 HydrophobicContact CG1-CB 3.93Å
221	H	90.4	Very high	93.6	Very high	24 Å²	24	65 Å²	65	11%	0.111	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-84	151.7	179	-158.6	82.4	0	0	0	111.2	G121 F122 D223 H224	G121-H221 PolarHBondContact O-ND1 3.5Å; F122-H221 HydrophobicContact CD1-CB 3.89Å; F122-H221 HydrophobicContact CD2-CB 4.5Å; F122-H221 AromaticContact CD2-ND1 3.51Å; F122-H221 HydrophobicContact CE1-CB 3.72Å; F122-H221 HydrophobicContact CE2-CB 4.33Å; F122-H221 AromaticContact CE2-ND1 3.42Å; F122-H221 WeakPolarHBondContact CE2-ND1 3.27Å; F122-H221 HydrophobicContact CG-CB 4.29Å; F122-H221 HydrophobicContact CZ-CB 3.95Å; F122-H221 AromaticContact CZ-ND1 3.9Å; H221-D223 PolarHBondContact CD2-N 2.91Å; H221-D223 VanDerWaalsContact CD2-N 3.35Å; H221-D223 IonicContact NE2-OD2 3.69Å; H221-H224 HydrophobicContact CB-CB 4.11Å; H221-H224 AromaticContact CD2-ND1 3.45Å; H221-H224 PolarHBondContact CD2-ND1 3.24Å; H221-H224 AromaticContact NE2-ND1 3.95Å
222	E	86.3	Confident	93.3	Very high	106 Å²	106	61.7 Å²	61.7	50%	0.495	32%	0.315	S	S	.	.	S	Bend	trans	-72.4	-45.5	179	-59.7	-154.5	131.5	0	0	112.7	L123 R163	L123-E222 HydrophobicContact CD1-CG 4.05Å; L123-E222 WeakPolarHBondContact CD1-OE1 3.43Å; R163-E222 IonicContact CZ-OE1 2.73Å; R163-E222 IonicContact NH1-OE1 3.87Å; R163-E222 IonicContact NH2-OE1 2.79Å; R163-E222 PolarHBondContact NH2-OE1 2.94Å
223	D	87.3	Confident	92.5	Very high	134 Å²	134	61.1 Å²	61.1	72%	0.717	31%	0.307	S	S	*	.	S	Bend	trans	-77.7	-31.5	-179.7	-59.8	-30.6	0	0	0	112.6	H221	H221-D223 PolarHBondContact CD2-N 2.91Å; H221-D223 VanDerWaalsContact CD2-N 3.35Å; H221-D223 IonicContact NE2-OD2 3.69Å
224	H	90.2	Very high	91.7	Very high	83 Å²	83	62.5 Å²	62.5	38%	0.384	31%	0.307	S	S	.	.			trans	-112.6	70.1	-174.2	-58.6	83	0	0	0	110.5	H221 N226 E227	H221-H224 HydrophobicContact CB-CB 4.11Å; H221-H224 AromaticContact CD2-ND1 3.45Å; H221-H224 PolarHBondContact CD2-ND1 3.24Å; H221-H224 AromaticContact NE2-ND1 3.95Å; H224-N226 PolarHBondContact O-N 3.39Å; H224-N226 VanDerWaalsContact O-N 3.11Å; H224-E227 HydrophobicContact CB-CB 4.46Å; H224-E227 IonicContact CD2-OE2 3.58Å; H224-E227 IonicContact CG-OE2 2.94Å; H224-E227 PolarHBondContact O-N 2.9Å
225	I	92.3	Very high	90.9	Very high	63 Å²	63	57.2 Å²	57.2	32%	0.323	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-63.6	-15.8	-176.3	61.4	167.7	0	0	0	114.5	Y161 F168 E227	Y161-I225 PolarHBondContact OH-O 3.44Å; F168-I225 HydrophobicContact CD1-CD1 3.92Å; F168-I225 HydrophobicContact CE1-CD1 3.94Å; I225-E227 VanDerWaalsContact C-N 3.31Å
226	N	93.9	Very high	90	Very high	101 Å²	101	57.1 Å²	57.1	54%	0.54	29%	0.288	S	S	.	.	T	Hydrogen-bonded Turn	trans	-91.7	7.7	-178.8	-61.7	-27.4	0	0	0	112.6	A170 S171 H224	A170-N226 CarbonylContact C-O 3.47Å; A170-N226 WeakPolarHBondContact CA-O 3.45Å; A170-N226 VanDerWaalsContact CB-C 3.43Å; A170-N226 WeakPolarHBondContact CB-O 3.15Å; S171-N226 PolarHBondContact N-O 3.31Å; H224-N226 PolarHBondContact O-N 3.39Å; H224-N226 VanDerWaalsContact O-N 3.11Å
227	E	94.6	Very high	89.3	Confident	22 Å²	22	59.7 Å²	59.7	10%	0.103	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.9	140.8	-175	-69.7	148	-141.2	0	0	111	F173 Y179 H183 H224 I225	F173-E227 HydrophobicContact CE2-CB 4.33Å; F173-E227 HydrophobicContact CE2-CG 4.07Å; Y179-E227 HydrophobicContact CE2-CB 4.25Å; Y179-E227 HydrophobicContact CE2-CG 4.16Å; Y179-E227 WeakPolarHBondContact CE2-OE2 3.24Å; Y179-E227 VanDerWaalsContact CZ-OE2 3.26Å; Y179-E227 PolarHBondContact OH-OE2 3.38Å; H183-E227 IonicContact CE1-OE1 3.5Å; H183-E227 PolarHBondContact CE1-OE1 3.34Å; H183-E227 IonicContact CE1-OE2 3.85Å; H183-E227 PolarHBondContact CE1-OE2 2.9Å; H183-E227 IonicContact ND1-OE1 3.77Å; H183-E227 IonicContact ND1-OE2 3.84Å; H183-E227 IonicContact NE2-OE1 3.73Å; H224-E227 HydrophobicContact CB-CB 4.46Å; H224-E227 IonicContact CD2-OE2 3.58Å; H224-E227 IonicContact CG-OE2 2.94Å; H224-E227 PolarHBondContact O-N 2.9Å; I225-E227 VanDerWaalsContact C-N 3.31Å
228	A	95.9	Very high	88.6	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-141.9	146	178.2	0	0	0	0	0	111.8	I159 A170 S171 L172 F173 Y219 V220	I159-A228 HydrophobicContact CD1-CB 3.58Å; A170-A228 HydrophobicContact CB-CB 4.19Å; S171-A228 PolarHBondContact O-N 3.19Å; L172-A228 CarbonylContact C-O 3.51Å; L172-A228 WeakPolarHBondContact CA-O 3.16Å; L172-A228 HydrophobicContact CD1-CB 4.32Å; F173-A228 PolarHBondContact N-O 3.45Å; Y219-A228 CarbonylContact O-C 3.55Å; Y219-A228 VanDerWaalsContact O-CA 3.24Å; Y219-A228 WeakPolarHBondContact O-CA 3.27Å; V220-A228 HydrophobicContact CG1-CB 3.93Å
229	L	95.6	Very high	87.8	Confident	0 Å²	0	61.6 Å²	61.6	0%	0	32%	0.318	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	140.3	172.4	-64	175.5	0	0	0	110	F122 F173 I176 C218 Y219	F122-L229 HydrophobicContact CD1-CB 4.46Å; F122-L229 HydrophobicContact CD1-CD1 3.82Å; F122-L229 HydrophobicContact CD1-CG 3.91Å; F122-L229 HydrophobicContact CD2-CD1 3.95Å; F122-L229 HydrophobicContact CE1-CD1 3.78Å; F122-L229 HydrophobicContact CE1-CG 3.7Å; F122-L229 HydrophobicContact CE2-CD1 3.93Å; F122-L229 HydrophobicContact CG-CD1 3.9Å; F122-L229 HydrophobicContact CG-CG 4.49Å; F122-L229 HydrophobicContact CZ-CD1 3.84Å; F122-L229 HydrophobicContact CZ-CG 4.13Å; F173-L229 HydrophobicContact CB-CD2 4Å; F173-L229 CarbonylContact O-C 3.55Å; F173-L229 WeakPolarHBondContact O-CA 3.48Å; I176-L229 HydrophobicContact CB-CD1 4.44Å; I176-L229 HydrophobicContact CD1-CD1 4.35Å; C218-L229 CarbonylContact C-O 3.45Å; C218-L229 WeakPolarHBondContact CA-O 3.3Å; Y219-L229 PolarHBondContact N-O 3.21Å; Y219-L229 PolarHBondContact O-N 2.98Å
230	L	95.6	Very high	87.4	Confident	13 Å²	13	65.7 Å²	65.7	7%	0.068	34%	0.337	C	S	.	.	S	Bend	trans	-81	-51	174.7	-177	66.2	0	0	0	111.5	L172 F173 F206 I210 F216	L172-L230 HydrophobicContact CD1-CB 4.11Å; F173-L230 PolarHBondContact O-N 3.31Å; F206-L230 HydrophobicContact CE2-CD2 3.6Å; F206-L230 HydrophobicContact CZ-CD2 3.94Å; I210-L230 HydrophobicContact CD1-CD1 4.11Å; I210-L230 HydrophobicContact CD1-CD2 3.7Å; F216-L230 HydrophobicContact CD2-CD1 3.43Å; F216-L230 VanDerWaalsContact CD2-CD1 3.43Å; F216-L230 HydrophobicContact CE2-CD1 3.71Å; F216-L230 HydrophobicContact CG-CD1 4.29Å
231	H	92.4	Very high	87	Confident	103 Å²	103	70.7 Å²	70.7	48%	0.477	36%	0.364	S	S	.	.			trans	-119.8	145.2	-179.1	-60.5	103.3	0	0	0	111.6	D174	D174-H231 PolarHBondContact O-N 3.31Å
232	K	89.2	Confident	86.8	Confident	62 Å²	62	71.9 Å²	71.9	27%	0.27	37%	0.373	S	S	.	.			trans	-107.5	130.1	167.5	-68.5	-170.1	171.8	-156.9	0	111.1	E119 F122 Y219	E119-K232 HydrophobicContact CG-CB 4.34Å; E119-K232 HydrophobicContact CG-CD 3.85Å; E119-K232 HydrophobicContact CG-CG 3.88Å; E119-K232 PolarHBondContact O-NZ 3.39Å; E119-K232 WeakPolarHBondContact OE1-CA 3.48Å; E119-K232 VanDerWaalsContact OE1-CB 3.23Å; E119-K232 WeakPolarHBondContact OE1-CB 3.23Å; E119-K232 WeakPolarHBondContact OE1-CG 3.41Å; F122-K232 WeakPolarHBondContact O-CE 3.33Å; F122-K232 PolarHBondContact O-NZ 3.02Å; Y219-K232 HydrophobicContact CD1-CD 3.79Å; Y219-K232 HydrophobicContact CD1-CG 4.2Å; Y219-K232 HydrophobicContact CD2-CD 4.34Å; Y219-K232 HydrophobicContact CD2-CG 3.82Å; Y219-K232 HydrophobicContact CE1-CD 3.89Å; Y219-K232 HydrophobicContact CE1-CG 4.27Å; Y219-K232 HydrophobicContact CE2-CD 4.45Å; Y219-K232 HydrophobicContact CE2-CG 3.93Å; Y219-K232 HydrophobicContact CG-CD 4.01Å; Y219-K232 HydrophobicContact CG-CG 3.96Å
233	F	81	Confident	86.8	Confident	119 Å²	119	69.7 Å²	69.7	52%	0.522	36%	0.364	S	S	.	.			trans	-96.9	-33.2	178.8	-68.5	-59.8	0	0	0	112.7	E119 N175 G235	E119-F233 PolarHBondContact OE1-N 3.33Å; N175-F233 HydrophobicContact CB-CD2 3.89Å; N175-F233 HydrophobicContact CB-CE2 3.29Å; N175-F233 HydrophobicContact CB-CZ 4.16Å; F233-G235 VanDerWaalsContact C-N 3.26Å; F233-G235 PolarHBondContact O-N 3.09Å
234	Y	77.4	Confident	86.9	Confident	77 Å²	77	68.8 Å²	68.8	30%	0.302	35%	0.354	S	S	.	.			trans	-88.4	73.8	-180	-50	-85.9	0	0	0	109.2	V112 P115 E119 I176 M239	V112-Y234 HydrophobicContact CG1-CD1 4.22Å; V112-Y234 HydrophobicContact CG1-CE1 4.49Å; P115-Y234 HydrophobicContact CB-CD2 4.3Å; P115-Y234 HydrophobicContact CB-CE2 3.65Å; P115-Y234 HydrophobicContact CG-CE1 4.27Å; P115-Y234 HydrophobicContact CG-CE2 3.86Å; E119-Y234 WeakPolarHBondContact OE2-CA 3.42Å; E119-Y234 WeakPolarHBondContact OE2-CB 3.06Å; E119-Y234 WeakPolarHBondContact OE2-CD2 3.02Å; E119-Y234 PolarHBondContact OE2-N 3.11Å; I176-Y234 HydrophobicContact CG2-CD2 4.4Å; I176-Y234 HydrophobicContact CG2-CE2 3.95Å; Y234-M239 VanDerWaalsContact CB-CE 3.47Å; Y234-M239 VanDerWaalsContact O-CE 3.27Å; Y234-M239 WeakPolarHBondContact O-CE 3.33Å
235	G	75.1	Confident	87	Confident	20 Å²	20	73 Å²	73	21%	0.206	37%	0.367	C	S	.	.			trans	-68.1	155	165.5	0	0	0	0	0	111	F233 S237 T238 M239	F233-G235 VanDerWaalsContact C-N 3.26Å; F233-G235 PolarHBondContact O-N 3.09Å; G235-S237 PolarHBondContact O-N 3.49Å; G235-T238 PolarHBondContact O-N 2.94Å; G235-M239 WeakPolarHBondContact O-CG 3.33Å; G235-M239 PolarHBondContact O-N 3.16Å
236	P	75.1	Confident	86.9	Confident	112 Å²	112	70.9 Å²	70.9	73%	0.727	36%	0.357	S	S	*	.	H	α-helix	trans	-58.7	-29	176.6	23.5	-33.4	0	0	0	112.9	F240	P236-F240 PolarHBondContact O-N 3.39Å
237	S	82.7	Confident	86.8	Confident	75 Å²	75	68.9 Å²	68.9	52%	0.524	35%	0.346	S	S	.	.	H	α-helix	trans	-68.8	-52.3	175.9	50.6	0	0	0	0	112.5	G235 M239 F240 D241	G235-S237 PolarHBondContact O-N 3.49Å; S237-M239 PolarHBondContact O-N 3.3Å; S237-F240 WeakPolarHBondContact O-CA 3.35Å; S237-F240 WeakPolarHBondContact O-CB 3.3Å; S237-F240 PolarHBondContact O-N 2.95Å; S237-D241 PolarHBondContact O-N 3.24Å
238	T	80.4	Confident	86.7	Confident	67 Å²	67	69.7 Å²	69.7	41%	0.411	35%	0.352	S	S	.	.	H	α-helix	trans	-59.2	-35.9	-179.9	-50.5	0	0	0	0	111.6	G235 T242	G235-T238 PolarHBondContact O-N 2.94Å; T238-T242 VanDerWaalsContact O-CB 3.22Å; T238-T242 WeakPolarHBondContact O-CB 3.47Å; T238-T242 PolarHBondContact O-N 2.75Å; T238-T242 VanDerWaalsContact O-N 3.11Å; T238-T242 PolarHBondContact O-OG1 3.22Å
239	M	78.9	Confident	86.5	Confident	46 Å²	46	73.1 Å²	73.1	23%	0.227	37%	0.371	C	S	.	.	H	α-helix	trans	-61.9	-45.1	173.1	-67.9	-179.2	-164.5	0	0	112.1	V112 C116 Y234 G235 S237 T242 L243	V112-M239 HydrophobicContact CG1-CG 4.44Å; C116-M239 HydrophobicContact CB-CE 3.79Å; C116-M239 WeakPolarHBondContact SG-CE 3.48Å; Y234-M239 VanDerWaalsContact CB-CE 3.47Å; Y234-M239 VanDerWaalsContact O-CE 3.27Å; Y234-M239 WeakPolarHBondContact O-CE 3.33Å; G235-M239 WeakPolarHBondContact O-CG 3.33Å; G235-M239 PolarHBondContact O-N 3.16Å; S237-M239 PolarHBondContact O-N 3.3Å; M239-T242 PolarHBondContact O-N 2.94Å; M239-L243 WeakPolarHBondContact O-CG 3.36Å; M239-L243 PolarHBondContact O-N 3.26Å; M239-L243 VanDerWaalsContact O-N 3.15Å
240	F	86.6	Confident	86.4	Confident	148 Å²	148	74.9 Å²	74.9	65%	0.649	38%	0.38	S	S	*	.	H	α-helix	trans	-63.9	-48.7	-179.1	-135.4	-87.7	0	0	0	110.8	P236 S237 T242 L243 F244	P236-F240 PolarHBondContact O-N 3.39Å; S237-F240 WeakPolarHBondContact O-CA 3.35Å; S237-F240 WeakPolarHBondContact O-CB 3.3Å; S237-F240 PolarHBondContact O-N 2.95Å; F240-T242 VanDerWaalsContact C-N 3.29Å; F240-T242 PolarHBondContact O-N 2.96Å; F240-L243 PolarHBondContact O-N 3.19Å; F240-F244 WeakPolarHBondContact O-CB 3.31Å; F240-F244 PolarHBondContact O-N 3.41Å
241	D	87.2	Confident	86.4	Confident	110 Å²	110	80 Å²	80	59%	0.588	40%	0.401	S	S	*	.	H	α-helix	trans	-61.5	-40.2	-178.7	-62.9	-29.9	0	0	0	111.9	S237 W245	S237-D241 PolarHBondContact O-N 3.24Å; D241-W245 PolarHBondContact O-N 3.13Å
242	T	85.1	Confident	86.5	Confident	48 Å²	48	79.6 Å²	79.6	29%	0.294	41%	0.406	S	S	.	.	H	α-helix	trans	-70.5	-37.3	-176.7	-59	0	0	0	0	112.3	L108 T238 M239 F240 P246	L108-T242 HydrophobicContact CD1-CG2 3.51Å; L108-T242 HydrophobicContact CD2-CG2 3.35Å; L108-T242 WeakPolarHBondContact CD2-O 3.47Å; L108-T242 HydrophobicContact CG-CG2 3.71Å; T238-T242 VanDerWaalsContact O-CB 3.22Å; T238-T242 WeakPolarHBondContact O-CB 3.47Å; T238-T242 PolarHBondContact O-N 2.75Å; T238-T242 VanDerWaalsContact O-N 3.11Å; T238-T242 PolarHBondContact O-OG1 3.22Å; M239-T242 PolarHBondContact O-N 2.94Å; F240-T242 VanDerWaalsContact C-N 3.29Å; F240-T242 PolarHBondContact O-N 2.96Å; T242-P246 WeakPolarHBondContact O-CD 3.18Å; T242-P246 WeakPolarHBondContact O-CG 3.24Å
243	L	86.1	Confident	86.7	Confident	61 Å²	61	77 Å²	77	32%	0.319	40%	0.396	S	S	.	.	H	α-helix	trans	-85.6	-32.5	178.6	-67.7	173.8	0	0	0	113	I109 M239 F240 L247	I109-L243 HydrophobicContact CG1-CD2 3.69Å; M239-L243 WeakPolarHBondContact O-CG 3.36Å; M239-L243 PolarHBondContact O-N 3.26Å; M239-L243 VanDerWaalsContact O-N 3.15Å; F240-L243 PolarHBondContact O-N 3.19Å; L243-L247 VanDerWaalsContact O-CB 3.3Å; L243-L247 WeakPolarHBondContact O-CB 3.27Å; L243-L247 PolarHBondContact O-N 3.42Å
244	F	90.7	Very high	87.4	Confident	114 Å²	114	72.4 Å²	72.4	50%	0.5	38%	0.382	S	S	.	.	H	α-helix	trans	-67.7	-41.6	-174.9	-177.9	-104	0	0	0	112.1	F240 L247 T248	F240-F244 WeakPolarHBondContact O-CB 3.31Å; F240-F244 PolarHBondContact O-N 3.41Å; F244-L247 PolarHBondContact O-N 3.21Å; F244-T248 HydrophobicContact CD1-CG2 3.93Å; F244-T248 HydrophobicContact CD2-CG2 4.1Å; F244-T248 HydrophobicContact CE1-CG2 3.56Å; F244-T248 HydrophobicContact CE2-CG2 3.74Å; F244-T248 HydrophobicContact CG-CG2 4.19Å; F244-T248 HydrophobicContact CZ-CG2 3.46Å; F244-T248 VanDerWaalsContact CZ-CG2 3.46Å; F244-T248 VanDerWaalsContact O-CG2 3.28Å; F244-T248 WeakPolarHBondContact O-CG2 3.28Å; F244-T248 PolarHBondContact O-N 3.24Å; F244-T248 PolarHBondContact O-OG1 2.9Å
245	W	91.6	Very high	88.2	Confident	172 Å²	172	73.4 Å²	73.4	65%	0.652	39%	0.392	S	S	*	.	H	α-helix	trans	-64.6	-51.6	-175.5	-172	-96.9	0	0	0	113.8	D241 L247 T248 L249	D241-W245 PolarHBondContact O-N 3.13Å; W245-L247 VanDerWaalsContact C-N 3.27Å; W245-L247 PolarHBondContact O-N 3.41Å; W245-T248 PolarHBondContact O-N 2.83Å; W245-T248 PolarHBondContact O-OG1 2.89Å; W245-L249 PolarHBondContact O-N 3.05Å; W245-L249 VanDerWaalsContact O-N 3.11Å
246	P	90.2	Very high	89.1	Confident	18 Å²	18	74.8 Å²	74.8	12%	0.117	40%	0.398	C	S	.	.	H	α-helix	trans	-59.3	-39.3	175.7	-22.7	34.3	0	0	0	112.6	L108 T242 L249 L250	L108-P246 HydrophobicContact CD2-CG 4.33Å; T242-P246 WeakPolarHBondContact O-CD 3.18Å; T242-P246 WeakPolarHBondContact O-CG 3.24Å; P246-L249 PolarHBondContact O-N 3.42Å; P246-L250 WeakPolarHBondContact O-CB 3.15Å; P246-L250 PolarHBondContact O-N 3.2Å
247	L	91	Very high	89.9	Confident	59 Å²	59	71.1 Å²	71.1	31%	0.309	37%	0.372	S	S	.	.	H	α-helix	trans	-66.1	-42.3	-179.9	-175.5	60.8	0	0	0	111.6	L243 F244 W245 L249 L250 F251	L243-L247 VanDerWaalsContact O-CB 3.3Å; L243-L247 WeakPolarHBondContact O-CB 3.27Å; L243-L247 PolarHBondContact O-N 3.42Å; F244-L247 PolarHBondContact O-N 3.21Å; W245-L247 VanDerWaalsContact C-N 3.27Å; W245-L247 PolarHBondContact O-N 3.41Å; L247-L249 PolarHBondContact O-N 2.94Å; L247-L250 PolarHBondContact O-N 2.79Å; L247-F251 HydrophobicContact CD1-CD2 3.86Å; L247-F251 HydrophobicContact CD1-CE2 3.39Å; L247-F251 HydrophobicContact CD1-CZ 4.21Å; L247-F251 HydrophobicContact CD2-CE2 3.98Å; L247-F251 HydrophobicContact CG-CD2 3.74Å; L247-F251 HydrophobicContact CG-CE2 3.46Å; L247-F251 VanDerWaalsContact CG-CE2 3.46Å; L247-F251 WeakPolarHBondContact O-CD2 3.27Å; L247-F251 PolarHBondContact O-N 2.66Å
248	T	92.9	Very high	90.3	Very high	39 Å²	39	73 Å²	73	24%	0.239	37%	0.374	C	S	.	.	H	α-helix	trans	-63.8	-40.2	175.5	57.8	0	0	0	0	112.1	F244 W245 F251 V252	F244-T248 HydrophobicContact CD1-CG2 3.93Å; F244-T248 HydrophobicContact CD2-CG2 4.1Å; F244-T248 HydrophobicContact CE1-CG2 3.56Å; F244-T248 HydrophobicContact CE2-CG2 3.74Å; F244-T248 HydrophobicContact CG-CG2 4.19Å; F244-T248 HydrophobicContact CZ-CG2 3.46Å; F244-T248 VanDerWaalsContact CZ-CG2 3.46Å; F244-T248 VanDerWaalsContact O-CG2 3.28Å; F244-T248 WeakPolarHBondContact O-CG2 3.28Å; F244-T248 PolarHBondContact O-N 3.24Å; F244-T248 PolarHBondContact O-OG1 2.9Å; W245-T248 PolarHBondContact O-N 2.83Å; W245-T248 PolarHBondContact O-OG1 2.89Å; T248-F251 PolarHBondContact O-N 3.13Å; T248-V252 WeakPolarHBondContact O-CB 3.27Å; T248-V252 VanDerWaalsContact O-CG2 3.26Å; T248-V252 WeakPolarHBondContact O-CG2 3.15Å; T248-V252 PolarHBondContact O-N 3.35Å
249	L	92.6	Very high	90.9	Very high	73 Å²	73	74 Å²	74	38%	0.382	38%	0.376	S	S	.	.	H	α-helix	trans	-63.1	-41.5	174.4	-70.7	176.3	0	0	0	112.1	W245 P246 L247 V252 S253	W245-L249 PolarHBondContact O-N 3.05Å; W245-L249 VanDerWaalsContact O-N 3.11Å; P246-L249 PolarHBondContact O-N 3.42Å; L247-L249 PolarHBondContact O-N 2.94Å; L249-V252 PolarHBondContact O-N 3.27Å; L249-S253 WeakPolarHBondContact O-CB 3.19Å; L249-S253 PolarHBondContact O-N 3.13Å
250	L	93.5	Very high	91.4	Very high	36 Å²	36	72.8 Å²	72.8	19%	0.188	37%	0.371	C	S	.	.	H	α-helix	trans	-61.1	-46	174.7	-172.1	156.3	0	0	0	110.8	C101 F102 P246 L247 S253 G254	C101-L250 HydrophobicContact CB-CB 4.46Å; F102-L250 HydrophobicContact CB-CD1 4.2Å; F102-L250 HydrophobicContact CD2-CD1 4.44Å; P246-L250 WeakPolarHBondContact O-CB 3.15Å; P246-L250 PolarHBondContact O-N 3.2Å; L247-L250 PolarHBondContact O-N 2.79Å; L250-S253 PolarHBondContact O-N 2.95Å; L250-G254 PolarHBondContact O-N 3.5Å
251	F	94.2	Very high	91.6	Very high	120 Å²	120	72 Å²	72	53%	0.526	36%	0.364	S	S	.	.	H	α-helix	trans	-63.8	-45.5	177	-82.4	-64.5	0	0	0	112.7	L247 T248 S253 G254 I255	L247-F251 HydrophobicContact CD1-CD2 3.86Å; L247-F251 HydrophobicContact CD1-CE2 3.39Å; L247-F251 HydrophobicContact CD1-CZ 4.21Å; L247-F251 HydrophobicContact CD2-CE2 3.98Å; L247-F251 HydrophobicContact CG-CD2 3.74Å; L247-F251 HydrophobicContact CG-CE2 3.46Å; L247-F251 VanDerWaalsContact CG-CE2 3.46Å; L247-F251 WeakPolarHBondContact O-CD2 3.27Å; L247-F251 PolarHBondContact O-N 2.66Å; T248-F251 PolarHBondContact O-N 3.13Å; F251-S253 VanDerWaalsContact C-N 3.33Å; F251-S253 PolarHBondContact O-N 3.34Å; F251-G254 PolarHBondContact O-N 3.26Å; F251-I255 WeakPolarHBondContact O-CB 3.28Å; F251-I255 VanDerWaalsContact O-CG1 3.23Å; F251-I255 WeakPolarHBondContact O-CG1 3.09Å; F251-I255 PolarHBondContact O-N 3.44Å
252	V	95.4	Very high	91.8	Very high	96 Å²	96	73.8 Å²	73.8	58%	0.582	37%	0.366	S	S	*	.	H	α-helix	trans	-61.9	-42.9	178.3	170.4	0	0	0	0	110.8	T248 L249 I255 C256	T248-V252 WeakPolarHBondContact O-CB 3.27Å; T248-V252 VanDerWaalsContact O-CG2 3.26Å; T248-V252 WeakPolarHBondContact O-CG2 3.15Å; T248-V252 PolarHBondContact O-N 3.35Å; L249-V252 PolarHBondContact O-N 3.27Å; V252-I255 PolarHBondContact O-N 3.28Å; V252-C256 WeakPolarHBondContact O-CB 3.45Å; V252-C256 PolarHBondContact O-N 3.48Å
253	S	93.9	Very high	91.9	Very high	8 Å²	8	79.4 Å²	79.4	6%	0.056	39%	0.387	C	S	.	.	H	α-helix	trans	-66.3	-40.9	176.7	-169.4	0	0	0	0	112	C94 I98 L249 L250 F251 C256 L257	C94-S253 WeakPolarHBondContact CA-OG 3.42Å; C94-S253 WeakPolarHBondContact CB-OG 3.42Å; C94-S253 PolarHBondContact O-OG 3.49Å; I98-S253 WeakPolarHBondContact CG1-OG 3.24Å; L249-S253 WeakPolarHBondContact O-CB 3.19Å; L249-S253 PolarHBondContact O-N 3.13Å; L250-S253 PolarHBondContact O-N 2.95Å; F251-S253 VanDerWaalsContact C-N 3.33Å; F251-S253 PolarHBondContact O-N 3.34Å; S253-C256 WeakPolarHBondContact O-CB 3.21Å; S253-C256 PolarHBondContact O-N 3.1Å; S253-L257 PolarHBondContact O-N 3.43Å
254	G	94.6	Very high	91.8	Very high	22 Å²	22	77.8 Å²	77.8	23%	0.227	38%	0.379	C	S	.	.	H	α-helix	trans	-61.4	-43.5	173.5	0	0	0	0	0	112.7	L250 F251 C256 L257 M258	L250-G254 PolarHBondContact O-N 3.5Å; F251-G254 PolarHBondContact O-N 3.26Å; G254-C256 VanDerWaalsContact C-N 3.35Å; G254-C256 PolarHBondContact O-N 3.01Å; G254-L257 PolarHBondContact O-N 2.87Å; G254-M258 VanDerWaalsContact O-CG 3.3Å; G254-M258 WeakPolarHBondContact O-CG 3.43Å; G254-M258 PolarHBondContact O-N 2.74Å
255	I	94.6	Very high	91.4	Very high	97 Å²	97	82.4 Å²	82.4	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-62.6	-42.8	175.3	-69.5	164.2	0	0	0	110.5	F251 V252 L257 M258 I259	F251-I255 WeakPolarHBondContact O-CB 3.28Å; F251-I255 VanDerWaalsContact O-CG1 3.23Å; F251-I255 WeakPolarHBondContact O-CG1 3.09Å; F251-I255 PolarHBondContact O-N 3.44Å; V252-I255 PolarHBondContact O-N 3.28Å; I255-L257 PolarHBondContact O-N 3.33Å; I255-M258 PolarHBondContact O-N 2.83Å; I255-I259 HydrophobicContact CG2-CD1 3.7Å; I255-I259 HydrophobicContact CG2-CG1 4.31Å; I255-I259 VanDerWaalsContact O-CG1 3.27Å; I255-I259 WeakPolarHBondContact O-CG1 3.47Å; I255-I259 PolarHBondContact O-N 3.34Å
256	C	93.2	Very high	90.6	Very high	50 Å²	50	76.2 Å²	76.2	34%	0.338	38%	0.376	S	S	.	.	H	α-helix	trans	-58.1	-47.8	176.6	-171.6	0	0	0	0	111.4	V252 S253 G254 M258 I259 T260	V252-C256 WeakPolarHBondContact O-CB 3.45Å; V252-C256 PolarHBondContact O-N 3.48Å; S253-C256 WeakPolarHBondContact O-CB 3.21Å; S253-C256 PolarHBondContact O-N 3.1Å; G254-C256 VanDerWaalsContact C-N 3.35Å; G254-C256 PolarHBondContact O-N 3.01Å; C256-M258 PolarHBondContact O-N 2.75Å; C256-I259 PolarHBondContact O-N 3.18Å; C256-T260 PolarHBondContact O-N 2.99Å; C256-T260 PolarHBondContact O-OG1 3.37Å; C256-T260 VanDerWaalsContact O-OG1 3.05Å
257	L	92.4	Very high	90.2	Very high	34 Å²	34	80.6 Å²	80.6	18%	0.178	39%	0.394	C	S	.	.	H	α-helix	trans	-61	-42.7	174.9	-75.3	-175.7	0	0	0	112.8	Y91 C94 I98 S253 G254 I255 I259 T260 W261	Y91-L257 HydrophobicContact CD1-CD2 3.53Å; Y91-L257 HydrophobicContact CE1-CD2 4.06Å; Y91-L257 HydrophobicContact CG-CD2 4.33Å; C94-L257 HydrophobicContact CB-CD1 4.03Å; C94-L257 HydrophobicContact CB-CD2 3.48Å; C94-L257 VanDerWaalsContact CB-CD2 3.48Å; C94-L257 HydrophobicContact CB-CG 3.52Å; I98-L257 HydrophobicContact CD1-CD1 3.44Å; I98-L257 VanDerWaalsContact CD1-CD1 3.44Å; I98-L257 HydrophobicContact CD1-CG 4.36Å; S253-L257 PolarHBondContact O-N 3.43Å; G254-L257 PolarHBondContact O-N 2.87Å; I255-L257 PolarHBondContact O-N 3.33Å; L257-I259 VanDerWaalsContact C-N 3.3Å; L257-I259 PolarHBondContact O-N 3.27Å; L257-T260 PolarHBondContact O-N 3.14Å; L257-W261 WeakPolarHBondContact O-CB 3.45Å; L257-W261 PolarHBondContact O-N 3.37Å
258	M	92.3	Very high	89.7	Confident	116 Å²	116	77.9 Å²	77.9	57%	0.571	38%	0.38	S	S	*	.	H	α-helix	trans	-63	-38.7	178.3	-74.1	-60.4	-63.6	0	0	111.9	G254 I255 C256 W261 F262	G254-M258 VanDerWaalsContact O-CG 3.3Å; G254-M258 WeakPolarHBondContact O-CG 3.43Å; G254-M258 PolarHBondContact O-N 2.74Å; I255-M258 PolarHBondContact O-N 2.83Å; C256-M258 PolarHBondContact O-N 2.75Å; M258-W261 HydrophobicContact CE-CE3 4.26Å; M258-W261 HydrophobicContact CE-CZ3 4.47Å; M258-F262 WeakPolarHBondContact O-CB 3.46Å; M258-F262 PolarHBondContact O-N 3Å
259	I	92.6	Very high	89	Confident	87 Å²	87	81 Å²	81	45%	0.446	39%	0.388	S	S	.	.	H	α-helix	trans	-66.7	-49.8	175.6	-68.7	168.8	0	0	0	110.2	I255 C256 L257 W261 F262 F263	I255-I259 HydrophobicContact CG2-CD1 3.7Å; I255-I259 HydrophobicContact CG2-CG1 4.31Å; I255-I259 VanDerWaalsContact O-CG1 3.27Å; I255-I259 WeakPolarHBondContact O-CG1 3.47Å; I255-I259 PolarHBondContact O-N 3.34Å; C256-I259 PolarHBondContact O-N 3.18Å; L257-I259 VanDerWaalsContact C-N 3.3Å; L257-I259 PolarHBondContact O-N 3.27Å; I259-W261 VanDerWaalsContact C-N 3.26Å; I259-W261 PolarHBondContact O-N 3.07Å; I259-F262 PolarHBondContact O-N 3.14Å; I259-F263 HydrophobicContact CG2-CD2 3.77Å; I259-F263 HydrophobicContact CG2-CE2 3.64Å; I259-F263 WeakPolarHBondContact O-CD2 2.98Å; I259-F263 PolarHBondContact O-N 3.48Å; I259-F263 VanDerWaalsContact O-N 3.13Å
260	T	89.8	Confident	88.3	Confident	21 Å²	21	83.4 Å²	83.4	13%	0.129	40%	0.397	C	S	.	.	H	α-helix	trans	-59.9	-39.5	177.2	-52.5	0	0	0	0	111.2	I87 Y91 C256 L257 F263 D264	I87-T260 HydrophobicContact CG2-CG2 3.98Å; Y91-T260 HydrophobicContact CD2-CG2 4.13Å; Y91-T260 HydrophobicContact CE1-CG2 4.43Å; Y91-T260 HydrophobicContact CE2-CG2 3.49Å; Y91-T260 VanDerWaalsContact CE2-CG2 3.49Å; Y91-T260 PolarHBondContact OH-O 2.89Å; C256-T260 PolarHBondContact O-N 2.99Å; C256-T260 PolarHBondContact O-OG1 3.37Å; C256-T260 VanDerWaalsContact O-OG1 3.05Å; L257-T260 PolarHBondContact O-N 3.14Å; T260-F263 PolarHBondContact O-N 3.41Å; T260-D264 VanDerWaalsContact O-CB 3.27Å; T260-D264 WeakPolarHBondContact O-CB 3.39Å; T260-D264 PolarHBondContact O-N 3.33Å
261	W	89.8	Confident	87.1	Confident	132 Å²	132	84.5 Å²	84.5	50%	0.5	40%	0.402	S	S	.	.	H	α-helix	trans	-65	-42.1	176	-178.7	75.7	0	0	0	112.8	Y91 L257 M258 I259 F263 R265	Y91-W261 WeakPolarHBondContact OH-CA 3.44Å; Y91-W261 PolarHBondContact OH-N 2.77Å; L257-W261 WeakPolarHBondContact O-CB 3.45Å; L257-W261 PolarHBondContact O-N 3.37Å; M258-W261 HydrophobicContact CE-CE3 4.26Å; M258-W261 HydrophobicContact CE-CZ3 4.47Å; I259-W261 VanDerWaalsContact C-N 3.26Å; I259-W261 PolarHBondContact O-N 3.07Å; W261-F263 VanDerWaalsContact C-N 3.31Å; W261-F263 PolarHBondContact O-N 3.22Å; W261-R265 VanDerWaalsContact O-CA 3.24Å; W261-R265 WeakPolarHBondContact O-CA 3.22Å; W261-R265 PolarHBondContact O-N 3Å
262	F	90.5	Very high	85.8	Confident	147 Å²	147	84.5 Å²	84.5	65%	0.645	40%	0.404	S	S	*	.	H	α-helix	trans	-62.5	-38.6	177.8	-175.8	-99.5	0	0	0	112.4	M258 I259	M258-F262 WeakPolarHBondContact O-CB 3.46Å; M258-F262 PolarHBondContact O-N 3Å; I259-F262 PolarHBondContact O-N 3.14Å
263	F	87.6	Confident	84.2	Confident	165 Å²	165	87.1 Å²	87.1	72%	0.724	41%	0.408	S	S	*	.	H	α-helix	trans	-80.8	-43.7	179.5	-73.9	-65.4	0	0	0	113.9	I259 T260 W261	I259-F263 HydrophobicContact CG2-CD2 3.77Å; I259-F263 HydrophobicContact CG2-CE2 3.64Å; I259-F263 WeakPolarHBondContact O-CD2 2.98Å; I259-F263 PolarHBondContact O-N 3.48Å; I259-F263 VanDerWaalsContact O-N 3.13Å; T260-F263 PolarHBondContact O-N 3.41Å; W261-F263 VanDerWaalsContact C-N 3.31Å; W261-F263 PolarHBondContact O-N 3.22Å
264	D	85.1	Confident	82.5	Confident	27 Å²	27	92.3 Å²	92.3	14%	0.144	44%	0.439	C	S	.	.	H	α-helix	trans	-89.9	-24.3	-174.3	-175.3	65.5	0	0	0	113.1	T260 C266 H267 V268	T260-D264 VanDerWaalsContact O-CB 3.27Å; T260-D264 WeakPolarHBondContact O-CB 3.39Å; T260-D264 PolarHBondContact O-N 3.33Å; D264-C266 PolarHBondContact O-N 3.3Å; D264-C266 VanDerWaalsContact O-N 3.13Å; D264-C266 VanDerWaalsContact OD2-CA 3.31Å; D264-C266 WeakPolarHBondContact OD2-CA 3.5Å; D264-C266 PolarHBondContact OD2-N 3.49Å; D264-H267 WeakPolarHBondContact O-CB 3.39Å; D264-H267 PolarHBondContact O-N 2.96Å; D264-H267 PolarHBondContact OD2-N 3.2Å; D264-V268 PolarHBondContact OD2-N 3.22Å
265	R	81.9	Confident	80.9	Confident	211 Å²	211	98.3 Å²	98.3	80%	0.796	46%	0.464	S	S	*	.	T	Hydrogen-bonded Turn	trans	50	30.3	-170.8	-62.4	-173.9	175.4	-179	-1	113.9	W261 H267	W261-R265 VanDerWaalsContact O-CA 3.24Å; W261-R265 WeakPolarHBondContact O-CA 3.22Å; W261-R265 PolarHBondContact O-N 3Å; R265-H267 PolarHBondContact O-N 3Å
266	C	75.7	Confident	79	Confident	43 Å²	43	101.7 Å²	101.7	29%	0.291	48%	0.482	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.4	21.5	-172	-61.2	0	0	0	0	114.6	D264 V268 W269	D264-C266 PolarHBondContact O-N 3.3Å; D264-C266 VanDerWaalsContact O-N 3.13Å; D264-C266 VanDerWaalsContact OD2-CA 3.31Å; D264-C266 WeakPolarHBondContact OD2-CA 3.5Å; D264-C266 PolarHBondContact OD2-N 3.49Å; C266-V268 PolarHBondContact O-N 3.38Å; C266-W269 PolarHBondContact O-N 3.46Å
267	H	81.5	Confident	76.9	Confident	110 Å²	110	107.4 Å²	107.4	51%	0.509	53%	0.533	S	S	.	.	G	3₁₀ helix	trans	-56.4	-36.1	178.2	-170.8	-78	0	0	0	111.3	D264 R265 W269 H270 D271	D264-H267 WeakPolarHBondContact O-CB 3.39Å; D264-H267 PolarHBondContact O-N 2.96Å; D264-H267 PolarHBondContact OD2-N 3.2Å; R265-H267 PolarHBondContact O-N 3Å; H267-W269 PolarHBondContact O-N 3.06Å; H267-H270 PolarHBondContact O-N 3.42Å; H267-D271 IonicContact CE1-OD1 3.27Å; H267-D271 PolarHBondContact CE1-OD1 3.21Å; H267-D271 VanDerWaalsContact CE1-OD1 3.27Å; H267-D271 IonicContact CE1-OD2 3.37Å; H267-D271 PolarHBondContact CE1-OD2 2.94Å; H267-D271 IonicContact ND1-OD1 3.79Å; H267-D271 IonicContact ND1-OD2 3.14Å; H267-D271 PolarHBondContact ND1-OD2 3.05Å; H267-D271 VanDerWaalsContact ND1-OD2 3.14Å
268	V	79.7	Confident	76.1	Confident	2 Å²	2	111.1 Å²	111.1	1%	0.012	55%	0.551	C	S	.	*	G	3₁₀ helix	trans	-56.2	-22.4	-177.5	96.9	0	0	0	0	114.5	E84 I87 K88 D264 C266	E84-V268 HydrophobicContact CB-CG2 3.66Å; E84-V268 HydrophobicContact CG-CG2 3.85Å; I87-V268 HydrophobicContact CB-CG2 4.37Å; I87-V268 HydrophobicContact CG2-CB 4.23Å; I87-V268 HydrophobicContact CG2-CG1 4.08Å; I87-V268 HydrophobicContact CG2-CG2 4.29Å; K88-V268 HydrophobicContact CD-CG2 4.47Å; K88-V268 WeakPolarHBondContact CE-O 3.46Å; K88-V268 HydrophobicContact CG-CG1 3.71Å; K88-V268 HydrophobicContact CG-CG2 4.09Å; K88-V268 PolarHBondContact NZ-O 3.48Å; D264-V268 PolarHBondContact OD2-N 3.22Å; C266-V268 PolarHBondContact O-N 3.38Å
269	W	78.6	Confident	75.3	Confident	105 Å²	105	110.8 Å²	110.8	40%	0.398	55%	0.55	S	S	.	.	G	3₁₀ helix	trans	-93.6	-14.6	-179.4	-64.8	105.2	0	0	0	113.7	K88 L92 C266 H267	K88-W269 HydrophobicContact CG-CZ2 4.48Å; L92-W269 HydrophobicContact CD2-CH2 4.49Å; C266-W269 PolarHBondContact O-N 3.46Å; H267-W269 PolarHBondContact O-N 3.06Å
270	H	77.7	Confident	74.3	Confident	123 Å²	123	112.2 Å²	112.2	57%	0.569	56%	0.555	S	S	*	*	T	Hydrogen-bonded Turn	trans	-81.8	-29.2	179.3	-100.1	-86.5	0	0	0	112.7	H267 E272 K273	H267-H270 PolarHBondContact O-N 3.42Å; H270-E272 VanDerWaalsContact C-N 3.29Å; H270-E272 PolarHBondContact O-N 3.38Å; H270-K273 PolarHBondContact O-N 3.41Å
271	D	68.4	Low	73.4	Confident	58 Å²	58	117.5 Å²	117.5	31%	0.31	58%	0.58	S	S	.	*	G	3₁₀ helix	trans	-66.4	-26.2	-171.9	-64.7	-40.6	0	0	0	113.7	H267 K273 T274	H267-D271 IonicContact CE1-OD1 3.27Å; H267-D271 PolarHBondContact CE1-OD1 3.21Å; H267-D271 VanDerWaalsContact CE1-OD1 3.27Å; H267-D271 IonicContact CE1-OD2 3.37Å; H267-D271 PolarHBondContact CE1-OD2 2.94Å; H267-D271 IonicContact ND1-OD1 3.79Å; H267-D271 IonicContact ND1-OD2 3.14Å; H267-D271 PolarHBondContact ND1-OD2 3.05Å; H267-D271 VanDerWaalsContact ND1-OD2 3.14Å; D271-K273 PolarHBondContact O-N 3.11Å; D271-T274 PolarHBondContact O-OG1 3.31Å; D271-T274 VanDerWaalsContact O-OG1 3.13Å
272	E	65.7	Low	72.4	Confident	120 Å²	120	116.6 Å²	116.6	56%	0.561	59%	0.585	S	S	*	*	G	3₁₀ helix	trans	-75.9	-17.4	-179.5	-68.8	-176.2	177.3	0	0	114.4	K88 H270 T274	K88-E272 IonicContact NZ-OE1 2.66Å; K88-E272 PolarHBondContact NZ-OE1 3.43Å; H270-E272 VanDerWaalsContact C-N 3.29Å; H270-E272 PolarHBondContact O-N 3.38Å; E272-T274 PolarHBondContact O-N 3.17Å
273	K	63.3	Low	71.2	Confident	151 Å²	151	114.6 Å²	114.6	66%	0.657	58%	0.581	S	S	*	*	G	3₁₀ helix	trans	-75.5	-6	-175.7	-67.7	-177.7	-178.4	174.8	0	114.1	H270 D271 I275	H270-K273 PolarHBondContact O-N 3.41Å; D271-K273 PolarHBondContact O-N 3.11Å; K273-I275 PolarHBondContact O-N 3.3Å
274	T	58.5	Low	70	Confident	117 Å²	117	111 Å²	111	72%	0.718	57%	0.571	S	S	*	*	G	3₁₀ helix	trans	-87.9	2.6	-170.1	55.6	0	0	0	0	115.5	D271 E272	D271-T274 PolarHBondContact O-OG1 3.31Å; D271-T274 VanDerWaalsContact O-OG1 3.13Å; E272-T274 PolarHBondContact O-N 3.17Å
275	I	59.8	Low	68.9	Low	148 Å²	148	117.5 Å²	117.5	76%	0.759	60%	0.604	S	S	*	*	G	3₁₀ helix	trans	-121	25.9	-174.3	-23.6	177.5	0	0	0	114.3	K273	K273-I275 PolarHBondContact O-N 3.3Å
276	I	54.3	Low	67.8	Low	168 Å²	168	109.7 Å²	109.7	86%	0.862	59%	0.588	S	S	*	*			trans	-111	81.4	164.7	-43	172.8	0	0	0	107.7
277	A	50.2	Low	67.1	Low	171 Å²	171	115.7 Å²	115.7	100%	1.413	62%	0.615	S	S	*	*			trans	-136.6	0	164.7	0	0	0	0	0	108.4

Retrieved 277 of 277 residues in 402.8 ms (Link to these results)

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