A0A096MQ78_PAPAN Loading...

Zinc finger protein 3

AlphaFold DB , UniProt , Accession A0A096MQ78, Species PAPAN (Papio anubis, Olive baboon), Gene ZNF3, Length 446 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	36.5	Very low	33	Very low	215 Å²	215	150.4 Å²	150.4	100%	1.059	81%	0.808	S	S	*	*				0	68.9	0	-63.3	171.2	-178.5	0	0	107.2
2	E	33	Very low	33.7	Very low	168 Å²	168	146.9 Å²	146.9	79%	0.785	80%	0.799	S	S	*	*				76.8	132.9	55.9	-64.7	149.1	122.9	0	0	111.1
3	T	34	Very low	33.5	Very low	122 Å²	122	148.8 Å²	148.8	75%	0.748	80%	0.8	S	S	*	*			cis	-139.3	149.8	-4.6	39.2	0	0	0	0	107.9
4	Q	36.8	Very low	33.3	Very low	175 Å²	175	144.6 Å²	144.6	82%	0.818	80%	0.796	S	S	*	*				71.9	143.1	54.8	-166	172.4	8.7	0	0	115
5	A	34.3	Very low	33	Very low	89 Å²	89	145.8 Å²	145.8	74%	0.736	80%	0.799	S	S	*	*			trans	85	150.6	176.9	0	0	0	0	0	117.5
6	D	33.5	Very low	32.7	Very low	139 Å²	139	146 Å²	146	74%	0.743	80%	0.798	S	S	*	*			cis	-177.5	-171.1	-40.9	-115.2	-58.8	0	0	0	108.7
7	L	33.2	Very low	32.3	Very low	165 Å²	165	146.8 Å²	146.8	86%	0.864	80%	0.795	S	S	*	*			trans	91	87.7	160.2	-57.2	177.2	0	0	0	120.5
8	V	30.1	Very low	32.1	Very low	133 Å²	133	144.7 Å²	144.7	81%	0.806	79%	0.793	S	S	*	*			trans	-32.8	158.5	142.5	169.2	0	0	0	0	117.8
9	S	28.7	Very low	31.9	Very low	100 Å²	100	142.3 Å²	142.3	70%	0.699	79%	0.794	S	S	*	*			trans	80.6	154.2	165.1	-80.5	0	0	0	0	117.5
10	Q	31	Very low	31.8	Very low	186 Å²	186	143.5 Å²	143.5	87%	0.869	80%	0.798	S	S	*	*			cis	-152.4	166.4	16.2	-142.1	157.7	3.7	0	0	114.1
11	E	32	Very low	31.8	Very low	162 Å²	162	142.8 Å²	142.8	76%	0.757	80%	0.8	S	S	*	*			trans	-66.3	168.4	164.7	-107.8	-176.7	179.9	0	0	112.6
12	P	40.9	Very low	31.5	Very low	109 Å²	109	137.8 Å²	137.8	71%	0.708	79%	0.786	S	S	*	*				-159.6	159.9	54	43.3	-20.6	0	0	0	122.1
13	Q	31.7	Very low	31.5	Very low	172 Å²	172	139.5 Å²	139.5	80%	0.804	79%	0.791	S	S	*	*			trans	49.4	153.8	132.6	-60.8	-176.9	-2.2	0	0	126.2
14	A	30.2	Very low	31.4	Very low	90 Å²	90	140.1 Å²	140.1	74%	0.744	79%	0.794	S	S	*	*			trans	79	146.9	146.8	0	0	0	0	0	120
15	L	29.5	Very low	31	Very low	162 Å²	162	137.8 Å²	137.8	85%	0.848	79%	0.794	S	S	*	*			cis	-170.8	178.2	-27.6	-120.1	172.5	0	0	0	108.9
16	L	27.3	Very low	30.7	Very low	149 Å²	149	137.3 Å²	137.3	78%	0.78	79%	0.791	S	S	*	*			trans	75.5	153.5	156	-145.4	75.3	0	0	0	118.2
17	E	27.1	Very low	30.4	Very low	159 Å²	159	140.5 Å²	140.5	74%	0.743	80%	0.798	S	S	*	*			cis	-163.4	143.4	-49.6	-172.2	165.9	-136	0	0	110.4
18	S	28.9	Very low	30.1	Very low	110 Å²	110	137.7 Å²	137.7	77%	0.769	79%	0.792	S	S	*	*			trans	51.8	136	158.7	72.4	0	0	0	0	122.5
19	A	27.1	Very low	30.4	Very low	98 Å²	98	137.9 Å²	137.9	81%	0.81	79%	0.789	S	S	*	*				169.2	141.1	111	0	0	0	0	0	113.1
20	L	31.1	Very low	30.7	Very low	167 Å²	167	143.1 Å²	143.1	87%	0.874	80%	0.799	S	S	*	*			trans	-119.2	151.7	162.4	-87	167.9	0	0	0	108.6
21	P	31.3	Very low	31.4	Very low	128 Å²	128	141.2 Å²	141.2	83%	0.831	80%	0.795	S	S	*	*				-142.6	165.7	120.3	36.8	-23.5	0	0	0	114.3
22	S	29.4	Very low	32	Very low	111 Å²	111	138 Å²	138	78%	0.776	79%	0.79	S	S	*	*			trans	-98.6	160.7	179.8	59	0	0	0	0	113.4
23	K	32.8	Very low	31.7	Very low	204 Å²	204	138.9 Å²	138.9	89%	0.887	79%	0.788	S	S	*	*			trans	-172	155.8	139	-108.1	161	-175.8	176.8	0	113.3
24	V	32.7	Very low	32.1	Very low	134 Å²	134	133 Å²	133	81%	0.812	77%	0.774	S	S	*	*			trans	-138.3	138.1	174.7	176.7	0	0	0	0	108.6
25	P	28.2	Very low	32.6	Very low	126 Å²	126	133.7 Å²	133.7	82%	0.818	77%	0.765	S	S	*	*			trans	-114.3	170	158	36.8	-25.8	0	0	0	112.1
26	A	27.9	Very low	33.2	Very low	80 Å²	80	133.1 Å²	133.1	66%	0.661	76%	0.758	S	S	*	*			trans	-146.3	171.4	-174.6	0	0	0	0	0	113.2
27	F	27	Very low	33.9	Very low	206 Å²	206	132.6 Å²	132.6	90%	0.904	75%	0.753	S	S	*	*			trans	70.8	153.4	179.6	-64.3	-83.1	0	0	0	115.6
28	S	27.4	Very low	34.7	Very low	105 Å²	105	130 Å²	130	73%	0.734	74%	0.744	S	S	*	*			cis	-144	-176.9	3.7	53.5	0	0	0	0	113
29	D	37.2	Very low	35.4	Very low	137 Å²	137	127 Å²	127	73%	0.733	73%	0.726	S	S	*	*			trans	-76.8	153.3	-163.1	-34	-94.7	0	0	0	116.7
30	K	33.7	Very low	36.2	Very low	211 Å²	211	125.1 Å²	125.1	92%	0.917	71%	0.71	S	S	*	*			trans	-159	74.7	152.2	-81.4	-147.6	177.1	-175.3	0	112.9
31	D	46.8	Very low	36.7	Very low	145 Å²	145	119.7 Å²	119.7	78%	0.775	69%	0.69	S	S	*	*			trans	-81.7	132.6	165.3	-67.2	-49.8	0	0	0	111.2
32	S	43.3	Very low	37.3	Very low	94 Å²	94	118.7 Å²	118.7	66%	0.657	68%	0.677	S	S	*	*	S	Bend	trans	174.2	-39.2	169.4	162.4	0	0	0	0	111.4
33	L	36.4	Very low	37.8	Very low	129 Å²	129	119.4 Å²	119.4	68%	0.675	67%	0.671	S	S	*	*	H	α-helix	trans	-81.3	-24.7	-176.1	-165.9	68.4	0	0	0	112.7
34	G	39.7	Very low	37.9	Very low	49 Å²	49	116.3 Å²	116.3	51%	0.505	66%	0.658	S	S	.	*	H	α-helix	trans	-66.5	-46.4	178	0	0	0	0	0	112.6	E36 M37 L38	G34-E36 PolarHBondContact O-N 3.34Å; G34-M37 PolarHBondContact O-N 3.06Å; G34-L38 VanDerWaalsContact O-CB 3.28Å; G34-L38 WeakPolarHBondContact O-CB 3.44Å; G34-L38 PolarHBondContact O-N 3.49Å
35	D	39.3	Very low	38.2	Very low	103 Å²	103	111.9 Å²	111.9	55%	0.551	64%	0.635	S	S	*	*	H	α-helix	trans	-67.5	-37.9	-172.3	-60.1	-46.7	0	0	0	113.2	L38 A39	D35-L38 PolarHBondContact O-N 3.05Å; D35-A39 VanDerWaalsContact O-CB 3.28Å; D35-A39 WeakPolarHBondContact O-CB 3.46Å; D35-A39 PolarHBondContact O-N 2.98Å
36	E	42.2	Very low	38.7	Very low	150 Å²	150	113.5 Å²	113.5	70%	0.701	63%	0.629	S	S	*	*	H	α-helix	trans	-69.6	-39.6	177.4	-168	172.8	-137.7	0	0	111.3	G34 A40	G34-E36 PolarHBondContact O-N 3.34Å; E36-A40 VanDerWaalsContact O-CB 3.29Å; E36-A40 WeakPolarHBondContact O-CB 3.44Å; E36-A40 PolarHBondContact O-N 3.42Å
37	M	42.4	Very low	39.1	Very low	138 Å²	138	113.6 Å²	113.6	68%	0.68	63%	0.625	S	S	*	*	H	α-helix	trans	-67.3	-35.3	171.7	-71.6	-158.8	71.8	0	0	112.5	G34 A41	G34-M37 PolarHBondContact O-N 3.06Å; M37-A41 VanDerWaalsContact O-CB 3.23Å; M37-A41 WeakPolarHBondContact O-CB 3.23Å; M37-A41 PolarHBondContact O-N 3.27Å
38	L	44.9	Very low	39.6	Very low	104 Å²	104	110.9 Å²	110.9	55%	0.545	62%	0.615	S	S	.	*	H	α-helix	trans	-70.6	-42	177.1	-171	67.8	0	0	0	111.2	G34 D35 A41 L42	G34-L38 VanDerWaalsContact O-CB 3.28Å; G34-L38 WeakPolarHBondContact O-CB 3.44Å; G34-L38 PolarHBondContact O-N 3.49Å; D35-L38 PolarHBondContact O-N 3.05Å; L38-A41 PolarHBondContact O-N 3.03Å; L38-L42 HydrophobicContact CG-CD1 4.17Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.29Å; L38-L42 PolarHBondContact O-N 3.48Å
39	A	43.3	Very low	40.5	Very low	49 Å²	49	113.5 Å²	113.5	41%	0.405	62%	0.616	S	S	.	*	H	α-helix	trans	-63.5	-43.6	173.6	0	0	0	0	0	111.7	D35 A41 L42 L43	D35-A39 VanDerWaalsContact O-CB 3.28Å; D35-A39 WeakPolarHBondContact O-CB 3.46Å; D35-A39 PolarHBondContact O-N 2.98Å; A39-A41 VanDerWaalsContact C-N 3.35Å; A39-A41 PolarHBondContact O-N 2.85Å; A39-L42 PolarHBondContact O-N 3.15Å; A39-L43 WeakPolarHBondContact O-CB 3.39Å; A39-L43 PolarHBondContact O-N 2.85Å
40	A	43.1	Very low	41	Very low	57 Å²	57	111.5 Å²	111.5	47%	0.471	61%	0.605	S	S	.	*	H	α-helix	trans	-63.6	-38.7	173.5	0	0	0	0	0	112.2	E36 K44	E36-A40 VanDerWaalsContact O-CB 3.29Å; E36-A40 WeakPolarHBondContact O-CB 3.44Å; E36-A40 PolarHBondContact O-N 3.42Å; A40-K44 WeakPolarHBondContact O-CB 3.46Å; A40-K44 PolarHBondContact O-N 3.12Å
41	A	42.9	Very low	41.5	Very low	54 Å²	54	104.9 Å²	104.9	45%	0.446	58%	0.582	S	S	.	*	H	α-helix	trans	-67.3	-39.1	174.7	0	0	0	0	0	112.4	M37 L38 A39 K44 A45	M37-A41 VanDerWaalsContact O-CB 3.23Å; M37-A41 WeakPolarHBondContact O-CB 3.23Å; M37-A41 PolarHBondContact O-N 3.27Å; L38-A41 PolarHBondContact O-N 3.03Å; A39-A41 VanDerWaalsContact C-N 3.35Å; A39-A41 PolarHBondContact O-N 2.85Å; A41-K44 PolarHBondContact O-N 3.4Å; A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.21Å
42	L	42.4	Very low	41.6	Very low	106 Å²	106	101 Å²	101	56%	0.555	56%	0.564	S	S	*	*	H	α-helix	trans	-69.6	-39.9	176.7	-75.2	166.2	0	0	0	112.5	L38 A39 A45 K46	L38-L42 HydrophobicContact CG-CD1 4.17Å; L38-L42 WeakPolarHBondContact O-CB 3.47Å; L38-L42 VanDerWaalsContact O-CG 3.26Å; L38-L42 WeakPolarHBondContact O-CG 3.29Å; L38-L42 PolarHBondContact O-N 3.48Å; A39-L42 PolarHBondContact O-N 3.15Å; L42-A45 PolarHBondContact O-N 2.89Å; L42-K46 WeakPolarHBondContact O-CB 3.39Å; L42-K46 PolarHBondContact O-N 3.16Å
43	L	40.2	Very low	41.8	Very low	127 Å²	127	97.4 Å²	97.4	67%	0.665	54%	0.536	S	S	*	.	H	α-helix	trans	-63.9	-41.9	170.9	-83.8	163.8	0	0	0	111.5	A39 K46 S47	A39-L43 WeakPolarHBondContact O-CB 3.39Å; A39-L43 PolarHBondContact O-N 2.85Å; L43-K46 PolarHBondContact O-N 3.15Å; L43-S47 PolarHBondContact O-N 3.08Å
44	K	35	Very low	42.3	Very low	139 Å²	139	94.3 Å²	94.3	60%	0.604	52%	0.518	S	S	*	.	H	α-helix	trans	-65.3	-42.7	176.5	-167.4	169.8	-176.2	176.4	0	111.6	A40 A41 S47 Q48	A40-K44 WeakPolarHBondContact O-CB 3.46Å; A40-K44 PolarHBondContact O-N 3.12Å; A41-K44 PolarHBondContact O-N 3.4Å; K44-S47 WeakPolarHBondContact CA-OG 3.3Å; K44-S47 PolarHBondContact O-N 3.25Å; K44-S47 PolarHBondContact O-OG 3.44Å; K44-Q48 WeakPolarHBondContact O-CG 3.46Å; K44-Q48 PolarHBondContact O-N 2.92Å
45	A	39.4	Very low	42.8	Very low	41 Å²	41	97.1 Å²	97.1	34%	0.339	52%	0.522	S	S	.	.	H	α-helix	trans	-60.6	-48.8	173.8	0	0	0	0	0	111.6	A41 L42 S47 Q48 E49	A41-A45 VanDerWaalsContact O-CB 3.3Å; A41-A45 WeakPolarHBondContact O-CB 3.41Å; A41-A45 PolarHBondContact O-N 3.21Å; L42-A45 PolarHBondContact O-N 2.89Å; A45-S47 VanDerWaalsContact C-N 3.26Å; A45-S47 PolarHBondContact O-N 3.28Å; A45-Q48 WeakPolarHBondContact O-CA 3.35Å; A45-Q48 WeakPolarHBondContact O-CB 3.36Å; A45-Q48 PolarHBondContact O-N 2.93Å; A45-E49 PolarHBondContact O-N 3.14Å
46	K	37.4	Very low	43.3	Very low	160 Å²	160	94 Å²	94	70%	0.696	51%	0.506	S	S	*	.	H	α-helix	trans	-55.7	-39.2	173.4	-80.6	-169.4	171.1	-168.4	0	112.8	L42 L43 Q48 E49	L42-K46 WeakPolarHBondContact O-CB 3.39Å; L42-K46 PolarHBondContact O-N 3.16Å; L43-K46 PolarHBondContact O-N 3.15Å; K46-Q48 PolarHBondContact O-N 2.98Å; K46-E49 PolarHBondContact O-N 2.82Å
47	S	37.8	Very low	43.7	Very low	82 Å²	82	87.4 Å²	87.4	57%	0.573	48%	0.477	S	S	*	.	T	Hydrogen-bonded Turn	trans	-71	-11	175.4	75.6	0	0	0	0	114.6	L43 K44 A45	L43-S47 PolarHBondContact O-N 3.08Å; K44-S47 WeakPolarHBondContact CA-OG 3.3Å; K44-S47 PolarHBondContact O-N 3.25Å; K44-S47 PolarHBondContact O-OG 3.44Å; A45-S47 VanDerWaalsContact C-N 3.26Å; A45-S47 PolarHBondContact O-N 3.28Å
48	Q	36.9	Very low	44.3	Very low	149 Å²	149	84.8 Å²	84.8	70%	0.696	47%	0.469	S	S	*	.	T	Hydrogen-bonded Turn	trans	-101.3	-0.9	177.8	-69.8	-179.6	-67.1	0	0	113.1	K44 A45 K46	K44-Q48 WeakPolarHBondContact O-CG 3.46Å; K44-Q48 PolarHBondContact O-N 2.92Å; A45-Q48 WeakPolarHBondContact O-CA 3.35Å; A45-Q48 WeakPolarHBondContact O-CB 3.36Å; A45-Q48 PolarHBondContact O-N 2.93Å; K46-Q48 PolarHBondContact O-N 2.98Å
49	E	45.3	Very low	44.6	Very low	159 Å²	159	84.5 Å²	84.5	74%	0.743	46%	0.461	S	S	*	.	S	Bend	trans	-111.1	1.8	179.9	-68	-171.8	133.8	0	0	114.4	A45 K46 V51	A45-E49 PolarHBondContact O-N 3.14Å; K46-E49 PolarHBondContact O-N 2.82Å; E49-V51 PolarHBondContact O-N 3.29Å
50	L	47.9	Very low	44.7	Very low	96 Å²	96	85.6 Å²	85.6	50%	0.503	46%	0.457	S	S	.	.			trans	-79.4	101.8	172.5	-73.4	172	0	0	0	111	T52 T94	L50-T52 PolarHBondContact O-N 3.42Å; L50-T94 HydrophobicContact CD2-CG2 4.18Å
51	V	45.1	Very low	44.7	Very low	71 Å²	71	87 Å²	87	43%	0.43	46%	0.456	S	S	.	.			trans	-65	117	171.9	177.2	0	0	0	0	109.5	E49 D55 V56	E49-V51 PolarHBondContact O-N 3.29Å; V51-D55 HydrophobicContact CG1-CB 4.37Å; V51-V56 HydrophobicContact CG1-CG2 3.48Å; V51-V56 VanDerWaalsContact CG1-CG2 3.48Å
52	T	48.5	Very low	44.6	Very low	65 Å²	65	92.6 Å²	92.6	40%	0.399	47%	0.465	S	S	.	.			trans	-87.7	164	178	79.4	0	0	0	0	110.9	L50 E54 D55	L50-T52 PolarHBondContact O-N 3.42Å; T52-E54 PolarHBondContact O-N 2.86Å; T52-E54 PolarHBondContact OG1-N 3.03Å; T52-D55 WeakPolarHBondContact CA-OD2 3.17Å; T52-D55 WeakPolarHBondContact CB-OD2 3.44Å; T52-D55 PolarHBondContact N-OD2 2.86Å; T52-D55 PolarHBondContact O-N 3.15Å; T52-D55 PolarHBondContact OG1-OD2 3.31Å
53	F	47.9	Very low	44.6	Very low	18 Å²	18	95.6 Å²	95.6	8%	0.079	47%	0.474	C	S	.	.	H	α-helix	trans	-64.6	-24	172.3	-176.2	-105.7	0	0	0	112.5	D55 V56 A57 M80 N83 Y84 V87 F116 F126	F53-D55 PolarHBondContact O-N 2.84Å; F53-V56 PolarHBondContact O-N 3Å; F53-A57 HydrophobicContact CD1-CB 4.17Å; F53-A57 HydrophobicContact CE1-CB 3.68Å; F53-A57 HydrophobicContact CE2-CB 4.34Å; F53-A57 HydrophobicContact CZ-CB 3.77Å; F53-A57 VanDerWaalsContact O-CB 3.3Å; F53-A57 WeakPolarHBondContact O-CB 3.49Å; F53-A57 PolarHBondContact O-N 3.31Å; F53-M80 WeakPolarHBondContact CE2-O 3.33Å; F53-M80 HydrophobicContact CZ-SD 4.48Å; F53-N83 HydrophobicContact CE2-CB 3.96Å; F53-Y84 HydrophobicContact CB-CD2 4.38Å; F53-Y84 HydrophobicContact CD1-CD2 4.27Å; F53-Y84 AromaticContact CD2-CD2 3.89Å; F53-Y84 HydrophobicContact CD2-CD2 3.89Å; F53-Y84 HydrophobicContact CD2-CG 4.44Å; F53-Y84 HydrophobicContact CE2-CD2 4.26Å; F53-Y84 AromaticContact CG-CD2 3.9Å; F53-Y84 HydrophobicContact CG-CD2 3.9Å; F53-V87 HydrophobicContact CB-CG1 4.43Å; F53-F116 AromaticContact CE1-CE2 3.67Å; F53-F116 HydrophobicContact CE1-CE2 3.67Å; F53-F116 AromaticContact CE1-CZ 3.78Å; F53-F116 HydrophobicContact CE1-CZ 3.78Å; F53-F116 HydrophobicContact CZ-CE2 4.02Å; F53-F116 AromaticContact CZ-CZ 3.62Å; F53-F116 HydrophobicContact CZ-CZ 3.62Å; F53-F126 AromaticContact CD1-CE1 3.86Å; F53-F126 HydrophobicContact CD1-CE1 3.86Å; F53-F126 HydrophobicContact CD1-CE2 4.33Å; F53-F126 AromaticContact CD1-CZ 3.65Å; F53-F126 HydrophobicContact CD1-CZ 3.65Å; F53-F126 HydrophobicContact CE1-CE1 4.21Å; F53-F126 HydrophobicContact CE1-CE2 4.22Å; F53-F126 AromaticContact CE1-CZ 3.96Å; F53-F126 HydrophobicContact CE1-CZ 3.96Å
54	E	45.6	Very low	44.8	Very low	63 Å²	63	93.7 Å²	93.7	29%	0.294	46%	0.462	S	S	.	.	H	α-helix	trans	-65.6	-26.3	176.8	-62.4	-156.7	115.9	0	0	112.7	T52 Y59 F126 Y130	T52-E54 PolarHBondContact O-N 2.86Å; T52-E54 PolarHBondContact OG1-N 3.03Å; E54-Y59 WeakPolarHBondContact CA-OH 3.38Å; E54-Y59 PolarHBondContact O-OH 3.38Å; E54-F126 HydrophobicContact CG-CE1 4.19Å; E54-Y130 WeakPolarHBondContact OE1-CD1 3.37Å
55	D	50.7	Low	45.6	Very low	109 Å²	109	88.8 Å²	88.8	58%	0.583	44%	0.439	S	S	*	.	H	α-helix	trans	-81.8	-20.3	179.8	-55.1	-66.1	0	0	0	113.4	V51 T52 F53	V51-D55 HydrophobicContact CG1-CB 4.37Å; T52-D55 WeakPolarHBondContact CA-OD2 3.17Å; T52-D55 WeakPolarHBondContact CB-OD2 3.44Å; T52-D55 PolarHBondContact N-OD2 2.86Å; T52-D55 PolarHBondContact O-N 3.15Å; T52-D55 PolarHBondContact OG1-OD2 3.31Å; F53-D55 PolarHBondContact O-N 2.84Å
56	V	51.4	Low	46.3	Very low	36 Å²	36	94.5 Å²	94.5	22%	0.218	46%	0.457	C	S	.	.	H	α-helix	trans	-111.2	-17.4	-173.6	-165.7	0	0	0	0	112.3	V51 F53 N83 V87	V51-V56 HydrophobicContact CG1-CG2 3.48Å; V51-V56 VanDerWaalsContact CG1-CG2 3.48Å; F53-V56 PolarHBondContact O-N 3Å; V56-N83 HydrophobicContact CG1-CB 3.99Å; V56-N83 PolarHBondContact O-ND2 2.85Å; V56-N83 VanDerWaalsContact O-ND2 3.14Å; V56-V87 HydrophobicContact CB-CG2 4.33Å; V56-V87 HydrophobicContact CG2-CG2 3.88Å
57	A	50.6	Low	46.9	Very low	12 Å²	12	96.9 Å²	96.9	10%	0.099	46%	0.461	C	S	.	.			trans	-76.1	136.2	176	0	0	0	0	0	112.5	F53 Y59 M80	F53-A57 HydrophobicContact CD1-CB 4.17Å; F53-A57 HydrophobicContact CE1-CB 3.68Å; F53-A57 HydrophobicContact CE2-CB 4.34Å; F53-A57 HydrophobicContact CZ-CB 3.77Å; F53-A57 VanDerWaalsContact O-CB 3.3Å; F53-A57 WeakPolarHBondContact O-CB 3.49Å; F53-A57 PolarHBondContact O-N 3.31Å; A57-Y59 HydrophobicContact CB-CE1 3.73Å; A57-Y59 HydrophobicContact CB-CE2 4.49Å; A57-Y59 WeakPolarHBondContact O-CE2 3.38Å; A57-M80 HydrophobicContact CB-SD 4.08Å
58	V	54.5	Low	47.4	Very low	83 Å²	83	94.3 Å²	94.3	50%	0.503	44%	0.441	S	S	.	.			trans	-99.9	126.1	177.7	177.5	0	0	0	0	108.8	Y76 M80	V58-Y76 VanDerWaalsContact O-CE2 3.27Å; V58-Y76 WeakPolarHBondContact O-CE2 3.2Å; V58-Y76 PolarHBondContact O-OH 2.92Å; V58-M80 HydrophobicContact CB-CE 4.06Å; V58-M80 HydrophobicContact CG2-CE 4.19Å; V58-M80 PolarHBondContact N-SD 3.11Å
59	Y	50.4	Low	48.3	Very low	98 Å²	98	93.2 Å²	93.2	38%	0.384	44%	0.436	S	S	.	.			trans	-108.8	122.9	-174.3	-50.4	-68.4	0	0	0	112.9	E54 A57 F126	E54-Y59 WeakPolarHBondContact CA-OH 3.38Å; E54-Y59 PolarHBondContact O-OH 3.38Å; A57-Y59 HydrophobicContact CB-CE1 3.73Å; A57-Y59 HydrophobicContact CB-CE2 4.49Å; A57-Y59 WeakPolarHBondContact O-CE2 3.38Å; Y59-F126 HydrophobicContact CD1-CB 4.29Å; Y59-F126 HydrophobicContact CE1-CB 3.81Å; Y59-F126 AromaticContact CE1-CD1 3.93Å; Y59-F126 HydrophobicContact CE1-CD1 3.93Å; Y59-F126 HydrophobicContact CE1-CG 4.25Å
60	F	46.3	Very low	48.5	Very low	72 Å²	72	89.3 Å²	89.3	32%	0.316	42%	0.424	S	S	.	.			trans	-89.4	141.8	168.8	-70.6	-71.1	0	0	0	111.8	E64 W65 L68 Y76	F60-E64 HydrophobicContact CB-CB 4.35Å; F60-E64 HydrophobicContact CD1-CB 4Å; F60-W65 HydrophobicContact CB-CE3 4.4Å; F60-W65 HydrophobicContact CD2-CE3 4.07Å; F60-W65 HydrophobicContact CD2-CZ3 4.3Å; F60-L68 HydrophobicContact CD2-CD1 3.99Å; F60-L68 HydrophobicContact CE2-CD1 3.84Å; F60-L68 HydrophobicContact CG-CD1 4.39Å; F60-L68 HydrophobicContact CZ-CD1 4.13Å; F60-Y76 AromaticContact CD2-CD2 3.95Å; F60-Y76 HydrophobicContact CD2-CD2 3.95Å; F60-Y76 AromaticContact CD2-CE2 3.78Å; F60-Y76 HydrophobicContact CD2-CE2 3.78Å; F60-Y76 AromaticContact CE2-CD2 3.55Å; F60-Y76 HydrophobicContact CE2-CD2 3.55Å; F60-Y76 AromaticContact CE2-CE2 3.78Å; F60-Y76 HydrophobicContact CE2-CE2 3.78Å; F60-Y76 HydrophobicContact CE2-CG 4.34Å
61	I	42.8	Very low	48.4	Very low	88 Å²	88	88.1 Å²	88.1	45%	0.451	43%	0.428	S	S	.	.			trans	-76.9	155.1	166.9	60.2	153.5	0	0	0	111	K63 E64 W65	I61-K63 HydrophobicContact CD1-CB 4.21Å; I61-K63 PolarHBondContact O-N 3.26Å; I61-E64 HydrophobicContact CG1-CB 4.37Å; I61-E64 HydrophobicContact CG1-CG 3.79Å; I61-E64 WeakPolarHBondContact CG1-OE2 3.23Å; I61-E64 PolarHBondContact N-OE2 2.85Å; I61-E64 WeakPolarHBondContact O-CB 3.04Å; I61-E64 PolarHBondContact O-N 3.25Å; I61-W65 PolarHBondContact O-N 3.05Å; I61-W65 VanDerWaalsContact O-N 3.08Å
62	R	41.5	Very low	48.5	Very low	170 Å²	170	89.3 Å²	89.3	64%	0.642	43%	0.429	S	S	*	.	H	α-helix	trans	-58.8	-15.6	-174	-147.2	179.7	-157.8	-172.6	6	115.3	K66	R62-K66 WeakPolarHBondContact O-CG 3.33Å
63	K	41.3	Very low	48.8	Very low	169 Å²	169	89.8 Å²	89.8	74%	0.735	42%	0.424	S	S	*	.	H	α-helix	trans	-83.3	-32.3	172.2	-70	-174.1	177.9	-179.3	0	112.9	I61 R67	I61-K63 HydrophobicContact CD1-CB 4.21Å; I61-K63 PolarHBondContact O-N 3.26Å; K63-R67 WeakPolarHBondContact O-CG 3.27Å
64	E	43.6	Very low	48.9	Very low	87 Å²	87	92.1 Å²	92.1	41%	0.407	44%	0.437	S	S	.	.	H	α-helix	trans	-79.5	-44.1	177.7	-67.1	156.5	174.6	0	0	110.8	F60 I61 K66 R67 L68	F60-E64 HydrophobicContact CB-CB 4.35Å; F60-E64 HydrophobicContact CD1-CB 4Å; I61-E64 HydrophobicContact CG1-CB 4.37Å; I61-E64 HydrophobicContact CG1-CG 3.79Å; I61-E64 WeakPolarHBondContact CG1-OE2 3.23Å; I61-E64 PolarHBondContact N-OE2 2.85Å; I61-E64 WeakPolarHBondContact O-CB 3.04Å; I61-E64 PolarHBondContact O-N 3.25Å; E64-K66 PolarHBondContact O-N 3.15Å; E64-K66 VanDerWaalsContact O-N 3.13Å; E64-R67 WeakPolarHBondContact O-CA 3.5Å; E64-R67 WeakPolarHBondContact O-CB 3.46Å; E64-R67 PolarHBondContact O-N 3.2Å; E64-L68 PolarHBondContact O-N 3.42Å
65	W	53.3	Low	49.2	Very low	36 Å²	36	93.1 Å²	93.1	14%	0.136	44%	0.444	C	S	.	.	H	α-helix	trans	-52.7	-37.6	176.5	-173	-108.2	0	0	0	113	F60 I61 R67 L68 R73 Y76 I120	F60-W65 HydrophobicContact CB-CE3 4.4Å; F60-W65 HydrophobicContact CD2-CE3 4.07Å; F60-W65 HydrophobicContact CD2-CZ3 4.3Å; I61-W65 PolarHBondContact O-N 3.05Å; I61-W65 VanDerWaalsContact O-N 3.08Å; W65-R67 VanDerWaalsContact C-N 3.29Å; W65-R67 PolarHBondContact O-N 2.93Å; W65-L68 HydrophobicContact CE3-CD1 3.71Å; W65-L68 HydrophobicContact CZ3-CD1 3.96Å; W65-L68 PolarHBondContact O-N 3.23Å; W65-R73 HydrophobicContact CH2-CB 3.83Å; W65-R73 HydrophobicContact CH2-CG 4Å; W65-R73 HydrophobicContact CZ2-CB 3.97Å; W65-R73 HydrophobicContact CZ2-CG 3.96Å; W65-R73 HydrophobicContact CZ3-CB 4.47Å; W65-R73 HydrophobicContact CZ3-CG 4.3Å; W65-R73 PolarHBondContact O-NE 3.27Å; W65-R73 PolarHBondContact O-NH2 2.87Å; W65-Y76 AromaticContact CH2-CD1 3.49Å; W65-Y76 HydrophobicContact CH2-CD1 3.49Å; W65-Y76 VanDerWaalsContact CH2-CD1 3.49Å; W65-Y76 AromaticContact CH2-CE1 3.88Å; W65-Y76 HydrophobicContact CH2-CE1 3.88Å; W65-Y76 HydrophobicContact CH2-CG 4.26Å; W65-Y76 AromaticContact CZ3-CD1 3.38Å; W65-Y76 HydrophobicContact CZ3-CD1 3.38Å; W65-Y76 AromaticContact CZ3-CE1 3.67Å; W65-Y76 HydrophobicContact CZ3-CE1 3.67Å; W65-Y76 AromaticContact CZ3-CG 3.83Å; W65-Y76 HydrophobicContact CZ3-CG 3.83Å; W65-I120 HydrophobicContact CH2-CG2 3.98Å; W65-I120 HydrophobicContact CZ2-CG2 4.27Å
66	K	53.2	Low	49.5	Very low	162 Å²	162	89.8 Å²	89.8	70%	0.704	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-70.6	-17.4	175.4	-76.8	-173	171.5	-164.9	0	114.6	R62 E64	R62-K66 WeakPolarHBondContact O-CG 3.33Å; E64-K66 PolarHBondContact O-N 3.15Å; E64-K66 VanDerWaalsContact O-N 3.13Å
67	R	50.8	Low	49.5	Very low	210 Å²	210	91.5 Å²	91.5	79%	0.792	43%	0.426	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.2	-6.7	177.8	-62.1	175.2	76.4	-177.7	5.8	113	K63 E64 W65	K63-R67 WeakPolarHBondContact O-CG 3.27Å; E64-R67 WeakPolarHBondContact O-CA 3.5Å; E64-R67 WeakPolarHBondContact O-CB 3.46Å; E64-R67 PolarHBondContact O-N 3.2Å; W65-R67 VanDerWaalsContact C-N 3.29Å; W65-R67 PolarHBondContact O-N 2.93Å
68	L	47.1	Very low	49.6	Very low	28 Å²	28	95.8 Å²	95.8	15%	0.147	45%	0.447	C	S	.	.	S	Bend	trans	-76.5	135.5	168.1	-62.2	179	0	0	0	109.8	F60 E64 W65 Q72 R73	F60-L68 HydrophobicContact CD2-CD1 3.99Å; F60-L68 HydrophobicContact CE2-CD1 3.84Å; F60-L68 HydrophobicContact CG-CD1 4.39Å; F60-L68 HydrophobicContact CZ-CD1 4.13Å; E64-L68 PolarHBondContact O-N 3.42Å; W65-L68 HydrophobicContact CE3-CD1 3.71Å; W65-L68 HydrophobicContact CZ3-CD1 3.96Å; W65-L68 PolarHBondContact O-N 3.23Å; L68-Q72 HydrophobicContact CB-CB 4.13Å; L68-Q72 HydrophobicContact CD2-CB 4.32Å; L68-R73 HydrophobicContact CB-CG 3.77Å; L68-R73 HydrophobicContact CD1-CG 4.33Å; L68-R73 PolarHBondContact O-NE 2.85Å; L68-R73 VanDerWaalsContact O-NE 3.07Å; L68-R73 PolarHBondContact O-NH2 2.83Å
69	E	55.7	Low	49.5	Very low	125 Å²	125	94.5 Å²	94.5	58%	0.584	44%	0.439	S	S	*	.			trans	-70.4	159.9	170.4	-71.5	-53.9	137.8	0	0	111.7	A71 Q72 R73	E69-A71 PolarHBondContact O-N 3.23Å; E69-Q72 HydrophobicContact CB-CG 4.33Å; E69-Q72 WeakPolarHBondContact O-CA 3.48Å; E69-Q72 WeakPolarHBondContact O-CB 3.44Å; E69-Q72 PolarHBondContact O-N 3.28Å; E69-R73 PolarHBondContact O-N 3.46Å; E69-R73 VanDerWaalsContact O-N 3.1Å
70	P	49.5	Very low	50.1	Low	77 Å²	77	90 Å²	90	50%	0.5	42%	0.422	S	S	.	.	H	α-helix	trans	-49.4	-52.7	-178.3	-29.3	36	0	0	0	113.3	Q72 R73 D74	P70-Q72 PolarHBondContact O-N 3.21Å; P70-Q72 VanDerWaalsContact O-N 3.13Å; P70-R73 CarbonylContact O-C 3.17Å; P70-R73 WeakPolarHBondContact O-CA 3.45Å; P70-R73 WeakPolarHBondContact O-CB 3.4Å; P70-R73 PolarHBondContact O-N 3.36Å; P70-D74 VanDerWaalsContact O-CG 3.24Å; P70-D74 PolarHBondContact O-N 3.22Å
71	A	46.2	Very low	50.4	Low	71 Å²	71	89.4 Å²	89.4	59%	0.587	42%	0.421	S	S	*	.	H	α-helix	trans	-61.3	-24.1	178.6	0	0	0	0	0	114.1	E69 L75	E69-A71 PolarHBondContact O-N 3.23Å; A71-L75 WeakPolarHBondContact O-CB 3.35Å; A71-L75 PolarHBondContact O-N 3.2Å
72	Q	48.6	Very low	50.9	Low	97 Å²	97	90.2 Å²	90.2	45%	0.453	42%	0.424	S	S	.	.	H	α-helix	trans	-79.1	-32.1	174.1	-63.8	173.7	-21.7	0	0	111.8	L68 E69 P70 D74 Y76	L68-Q72 HydrophobicContact CB-CB 4.13Å; L68-Q72 HydrophobicContact CD2-CB 4.32Å; E69-Q72 HydrophobicContact CB-CG 4.33Å; E69-Q72 WeakPolarHBondContact O-CA 3.48Å; E69-Q72 WeakPolarHBondContact O-CB 3.44Å; E69-Q72 PolarHBondContact O-N 3.28Å; P70-Q72 PolarHBondContact O-N 3.21Å; P70-Q72 VanDerWaalsContact O-N 3.13Å; Q72-D74 VanDerWaalsContact C-N 3.34Å; Q72-Y76 WeakPolarHBondContact O-CB 3.37Å; Q72-Y76 PolarHBondContact O-N 3.46Å
73	R	53.2	Low	51.4	Low	75 Å²	75	83.7 Å²	83.7	28%	0.283	40%	0.401	S	S	.	.	H	α-helix	trans	-73.3	-28.6	171.4	-58.6	-179.6	-165.3	146.7	12.5	111.8	W65 L68 E69 P70 R77	W65-R73 HydrophobicContact CH2-CB 3.83Å; W65-R73 HydrophobicContact CH2-CG 4Å; W65-R73 HydrophobicContact CZ2-CB 3.97Å; W65-R73 HydrophobicContact CZ2-CG 3.96Å; W65-R73 HydrophobicContact CZ3-CB 4.47Å; W65-R73 HydrophobicContact CZ3-CG 4.3Å; W65-R73 PolarHBondContact O-NE 3.27Å; W65-R73 PolarHBondContact O-NH2 2.87Å; L68-R73 HydrophobicContact CB-CG 3.77Å; L68-R73 HydrophobicContact CD1-CG 4.33Å; L68-R73 PolarHBondContact O-NE 2.85Å; L68-R73 VanDerWaalsContact O-NE 3.07Å; L68-R73 PolarHBondContact O-NH2 2.83Å; E69-R73 PolarHBondContact O-N 3.46Å; E69-R73 VanDerWaalsContact O-N 3.1Å; P70-R73 CarbonylContact O-C 3.17Å; P70-R73 WeakPolarHBondContact O-CA 3.45Å; P70-R73 WeakPolarHBondContact O-CB 3.4Å; P70-R73 PolarHBondContact O-N 3.36Å; R73-R77 WeakPolarHBondContact O-CG 3.3Å; R73-R77 PolarHBondContact O-N 3.14Å; R73-R77 VanDerWaalsContact O-N 3.16Å
74	D	50.5	Low	52	Low	66 Å²	66	77.8 Å²	77.8	35%	0.353	38%	0.375	S	S	.	.	H	α-helix	trans	-69.5	-54.9	171.8	-59.6	-31.5	0	0	0	110.3	P70 Q72 Y76 R77 D78	P70-D74 VanDerWaalsContact O-CG 3.24Å; P70-D74 PolarHBondContact O-N 3.22Å; Q72-D74 VanDerWaalsContact C-N 3.34Å; D74-Y76 PolarHBondContact O-N 3.45Å; D74-Y76 VanDerWaalsContact O-N 3.17Å; D74-R77 WeakPolarHBondContact O-CA 3.35Å; D74-R77 WeakPolarHBondContact O-CB 3.31Å; D74-R77 PolarHBondContact O-N 3.35Å; D74-R77 IonicContact OD1-CZ 3.58Å; D74-R77 IonicContact OD1-NE 3.76Å; D74-R77 IonicContact OD1-NH2 3.75Å; D74-R77 PolarHBondContact OD1-NH2 3.3Å; D74-D78 PolarHBondContact O-N 3.09Å
75	L	52.2	Low	52.5	Low	84 Å²	84	75.1 Å²	75.1	44%	0.44	37%	0.371	S	S	.	.	H	α-helix	trans	-54.9	-37.3	174.7	179.6	62.2	0	0	0	112.9	A71 D78 V79	A71-L75 WeakPolarHBondContact O-CB 3.35Å; A71-L75 PolarHBondContact O-N 3.2Å; L75-D78 PolarHBondContact O-N 2.91Å; L75-V79 HydrophobicContact CD1-CG2 4.3Å; L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 2.99Å
76	Y	57.1	Low	52.5	Low	39 Å²	39	77 Å²	77	15%	0.153	38%	0.384	C	S	.	.	H	α-helix	trans	-64.5	-41	172.9	170.9	-91.7	0	0	0	112.9	V58 F60 W65 Q72 D74 D78 M80 I120	V58-Y76 VanDerWaalsContact O-CE2 3.27Å; V58-Y76 WeakPolarHBondContact O-CE2 3.2Å; V58-Y76 PolarHBondContact O-OH 2.92Å; F60-Y76 AromaticContact CD2-CD2 3.95Å; F60-Y76 HydrophobicContact CD2-CD2 3.95Å; F60-Y76 AromaticContact CD2-CE2 3.78Å; F60-Y76 HydrophobicContact CD2-CE2 3.78Å; F60-Y76 AromaticContact CE2-CD2 3.55Å; F60-Y76 HydrophobicContact CE2-CD2 3.55Å; F60-Y76 AromaticContact CE2-CE2 3.78Å; F60-Y76 HydrophobicContact CE2-CE2 3.78Å; F60-Y76 HydrophobicContact CE2-CG 4.34Å; W65-Y76 AromaticContact CH2-CD1 3.49Å; W65-Y76 HydrophobicContact CH2-CD1 3.49Å; W65-Y76 VanDerWaalsContact CH2-CD1 3.49Å; W65-Y76 AromaticContact CH2-CE1 3.88Å; W65-Y76 HydrophobicContact CH2-CE1 3.88Å; W65-Y76 HydrophobicContact CH2-CG 4.26Å; W65-Y76 AromaticContact CZ3-CD1 3.38Å; W65-Y76 HydrophobicContact CZ3-CD1 3.38Å; W65-Y76 AromaticContact CZ3-CE1 3.67Å; W65-Y76 HydrophobicContact CZ3-CE1 3.67Å; W65-Y76 AromaticContact CZ3-CG 3.83Å; W65-Y76 HydrophobicContact CZ3-CG 3.83Å; Q72-Y76 WeakPolarHBondContact O-CB 3.37Å; Q72-Y76 PolarHBondContact O-N 3.46Å; D74-Y76 PolarHBondContact O-N 3.45Å; D74-Y76 VanDerWaalsContact O-N 3.17Å; Y76-D78 VanDerWaalsContact C-N 3.33Å; Y76-M80 HydrophobicContact CD1-CG 4.21Å; Y76-M80 HydrophobicContact CD2-CG 4.05Å; Y76-M80 HydrophobicContact CE1-CG 3.82Å; Y76-M80 HydrophobicContact CE2-CE 4.39Å; Y76-M80 HydrophobicContact CE2-CG 3.67Å; Y76-M80 HydrophobicContact CE2-SD 4.06Å; Y76-M80 HydrophobicContact CG-CG 4.35Å; Y76-M80 WeakPolarHBondContact O-CB 3.31Å; Y76-M80 VanDerWaalsContact O-CG 3.26Å; Y76-M80 WeakPolarHBondContact O-CG 3.35Å; Y76-M80 PolarHBondContact O-N 2.85Å; Y76-I120 HydrophobicContact CD1-CG2 4.05Å; Y76-I120 HydrophobicContact CE1-CG2 3.78Å
77	R	51.6	Low	52.6	Low	73 Å²	73	70.4 Å²	70.4	28%	0.275	36%	0.357	S	S	.	.	H	α-helix	trans	-60.6	-45.7	175.5	-82.6	-175.6	-79.9	-164.6	3.9	110.5	R73 D74 M80 L81 I120 S121	R73-R77 WeakPolarHBondContact O-CG 3.3Å; R73-R77 PolarHBondContact O-N 3.14Å; R73-R77 VanDerWaalsContact O-N 3.16Å; D74-R77 WeakPolarHBondContact O-CA 3.35Å; D74-R77 WeakPolarHBondContact O-CB 3.31Å; D74-R77 PolarHBondContact O-N 3.35Å; D74-R77 IonicContact OD1-CZ 3.58Å; D74-R77 IonicContact OD1-NE 3.76Å; D74-R77 IonicContact OD1-NH2 3.75Å; D74-R77 PolarHBondContact OD1-NH2 3.3Å; R77-M80 PolarHBondContact O-N 3.11Å; R77-L81 WeakPolarHBondContact O-CB 3.41Å; R77-L81 WeakPolarHBondContact O-CD1 3.32Å; R77-L81 VanDerWaalsContact O-CG 3.27Å; R77-L81 WeakPolarHBondContact O-CG 3.23Å; R77-L81 PolarHBondContact O-N 3.37Å; R77-I120 HydrophobicContact CG-CB 4.33Å; R77-I120 HydrophobicContact CG-CG2 3.47Å; R77-I120 VanDerWaalsContact CG-CG2 3.47Å; R77-S121 PolarHBondContact NH1-OG 3.1Å
78	D	51.7	Low	52.6	Low	101 Å²	101	63.5 Å²	63.5	54%	0.54	33%	0.332	S	S	.	.	H	α-helix	trans	-61.7	-48.9	-179.6	-60	-23.4	0	0	0	111.5	D74 L75 Y76 M80 L81 E82	D74-D78 PolarHBondContact O-N 3.09Å; L75-D78 PolarHBondContact O-N 2.91Å; Y76-D78 VanDerWaalsContact C-N 3.33Å; D78-M80 PolarHBondContact O-N 3.06Å; D78-L81 PolarHBondContact O-N 2.88Å; D78-E82 PolarHBondContact O-N 3.48Å
79	V	53.3	Low	52.8	Low	56 Å²	56	65.2 Å²	65.2	34%	0.339	35%	0.347	S	S	.	.	H	α-helix	trans	-66.2	-36.2	179.3	175	0	0	0	0	112.4	L75 E82 N83	L75-V79 HydrophobicContact CD1-CG2 4.3Å; L75-V79 WeakPolarHBondContact O-CG2 3.43Å; L75-V79 PolarHBondContact O-N 2.99Å; V79-E82 PolarHBondContact O-N 3.31Å; V79-N83 WeakPolarHBondContact O-CB 3.34Å; V79-N83 VanDerWaalsContact O-CG 3.24Å; V79-N83 PolarHBondContact O-N 3.41Å; V79-N83 PolarHBondContact O-OD1 2.87Å
80	M	63.7	Low	52.7	Low	4 Å²	4	63.5 Å²	63.5	2%	0.02	34%	0.342	C	S	.	.	H	α-helix	trans	-70.7	-32.6	175.3	-69.3	-62.5	102.7	0	0	112.5	F53 A57 V58 Y76 R77 D78 Y84 F116	F53-M80 WeakPolarHBondContact CE2-O 3.33Å; F53-M80 HydrophobicContact CZ-SD 4.48Å; A57-M80 HydrophobicContact CB-SD 4.08Å; V58-M80 HydrophobicContact CB-CE 4.06Å; V58-M80 HydrophobicContact CG2-CE 4.19Å; V58-M80 PolarHBondContact N-SD 3.11Å; Y76-M80 HydrophobicContact CD1-CG 4.21Å; Y76-M80 HydrophobicContact CD2-CG 4.05Å; Y76-M80 HydrophobicContact CE1-CG 3.82Å; Y76-M80 HydrophobicContact CE2-CE 4.39Å; Y76-M80 HydrophobicContact CE2-CG 3.67Å; Y76-M80 HydrophobicContact CE2-SD 4.06Å; Y76-M80 HydrophobicContact CG-CG 4.35Å; Y76-M80 WeakPolarHBondContact O-CB 3.31Å; Y76-M80 VanDerWaalsContact O-CG 3.26Å; Y76-M80 WeakPolarHBondContact O-CG 3.35Å; Y76-M80 PolarHBondContact O-N 2.85Å; R77-M80 PolarHBondContact O-N 3.11Å; D78-M80 PolarHBondContact O-N 3.06Å; M80-Y84 WeakPolarHBondContact O-CB 3.44Å; M80-Y84 PolarHBondContact O-N 3.04Å; M80-F116 HydrophobicContact CB-CZ 4.24Å
81	L	52.2	Low	52.3	Low	59 Å²	59	62.8 Å²	62.8	31%	0.309	33%	0.333	S	S	.	.	H	α-helix	trans	-70.9	-39.7	172.7	-73.3	164.7	0	0	0	111.8	R77 D78 Y84 G85 L113 F116	R77-L81 WeakPolarHBondContact O-CB 3.41Å; R77-L81 WeakPolarHBondContact O-CD1 3.32Å; R77-L81 VanDerWaalsContact O-CG 3.27Å; R77-L81 WeakPolarHBondContact O-CG 3.23Å; R77-L81 PolarHBondContact O-N 3.37Å; D78-L81 PolarHBondContact O-N 2.88Å; L81-Y84 PolarHBondContact O-N 3.27Å; L81-G85 PolarHBondContact O-N 3.48Å; L81-L113 HydrophobicContact CD2-CD1 3.89Å; L81-F116 HydrophobicContact CD2-CD1 4.04Å; L81-F116 HydrophobicContact CD2-CE1 3.87Å; L81-F116 HydrophobicContact CG-CE1 4.37Å
82	E	52.8	Low	52.1	Low	106 Å²	106	68 Å²	68	50%	0.495	34%	0.338	S	S	.	.	H	α-helix	trans	-61.8	-47.5	173	-170.9	-179.2	174.2	0	0	110.9	D78 V79 Y84 G85 N86	D78-E82 PolarHBondContact O-N 3.48Å; V79-E82 PolarHBondContact O-N 3.31Å; E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 3.09Å; E82-G85 PolarHBondContact O-N 3.09Å; E82-N86 WeakPolarHBondContact O-CB 3.16Å; E82-N86 VanDerWaalsContact O-CG 3.24Å; E82-N86 PolarHBondContact O-N 3.26Å; E82-N86 PolarHBondContact O-ND2 2.98Å; E82-N86 VanDerWaalsContact O-ND2 3.09Å
83	N	52.3	Low	51.7	Low	33 Å²	33	70.4 Å²	70.4	18%	0.176	35%	0.349	C	S	.	.	H	α-helix	trans	-59.3	-39	174.8	-74.6	-3.5	0	0	0	112.4	F53 V56 V79 N86 V87	F53-N83 HydrophobicContact CE2-CB 3.96Å; V56-N83 HydrophobicContact CG1-CB 3.99Å; V56-N83 PolarHBondContact O-ND2 2.85Å; V56-N83 VanDerWaalsContact O-ND2 3.14Å; V79-N83 WeakPolarHBondContact O-CB 3.34Å; V79-N83 VanDerWaalsContact O-CG 3.24Å; V79-N83 PolarHBondContact O-N 3.41Å; V79-N83 PolarHBondContact O-OD1 2.87Å; N83-N86 PolarHBondContact O-N 3.49Å; N83-V87 WeakPolarHBondContact O-CG2 3.41Å; N83-V87 PolarHBondContact O-N 3.2Å
84	Y	53.6	Low	51.1	Low	44 Å²	44	70.9 Å²	70.9	17%	0.173	36%	0.36	C	S	.	.	H	α-helix	trans	-66.5	-45.9	177.3	-175.1	-105.9	0	0	0	111.8	F53 M80 L81 E82 N86 V87 F88 H109 L113	F53-Y84 HydrophobicContact CB-CD2 4.38Å; F53-Y84 HydrophobicContact CD1-CD2 4.27Å; F53-Y84 AromaticContact CD2-CD2 3.89Å; F53-Y84 HydrophobicContact CD2-CD2 3.89Å; F53-Y84 HydrophobicContact CD2-CG 4.44Å; F53-Y84 HydrophobicContact CE2-CD2 4.26Å; F53-Y84 AromaticContact CG-CD2 3.9Å; F53-Y84 HydrophobicContact CG-CD2 3.9Å; M80-Y84 WeakPolarHBondContact O-CB 3.44Å; M80-Y84 PolarHBondContact O-N 3.04Å; L81-Y84 PolarHBondContact O-N 3.27Å; E82-Y84 VanDerWaalsContact C-N 3.3Å; E82-Y84 PolarHBondContact O-N 3.09Å; Y84-N86 VanDerWaalsContact C-N 3.34Å; Y84-N86 PolarHBondContact O-N 3.14Å; Y84-V87 PolarHBondContact O-N 3.28Å; Y84-F88 WeakPolarHBondContact O-CB 3.25Å; Y84-F88 PolarHBondContact O-N 2.91Å; Y84-H109 AromaticContact CE1-NE2 3.36Å; Y84-H109 WeakPolarHBondContact CE1-NE2 3.21Å; Y84-H109 AromaticContact CZ-NE2 3.75Å; Y84-H109 PolarHBondContact OH-CD2 3.21Å; Y84-H109 PolarHBondContact OH-NE2 3.03Å; Y84-L113 HydrophobicContact CD1-CD1 3.88Å; Y84-L113 HydrophobicContact CE1-CD1 3.86Å
85	G	53	Low	50.6	Low	32 Å²	32	73.6 Å²	73.6	33%	0.33	37%	0.366	S	S	.	.	H	α-helix	trans	-59.8	-42.5	174.6	0	0	0	0	0	112.7	L81 E82 F88 S89	L81-G85 PolarHBondContact O-N 3.48Å; E82-G85 PolarHBondContact O-N 3.09Å; G85-F88 PolarHBondContact O-N 2.83Å; G85-S89 PolarHBondContact O-N 3.24Å; G85-S89 PolarHBondContact O-OG 3.23Å; G85-S89 VanDerWaalsContact O-OG 3.1Å
86	N	55.3	Low	49.8	Very low	76 Å²	76	75.4 Å²	75.4	41%	0.406	38%	0.38	S	S	.	.	H	α-helix	trans	-62.4	-45.2	176.9	-72.4	-36.7	0	0	0	112.4	E82 N83 Y84 S89 L90	E82-N86 WeakPolarHBondContact O-CB 3.16Å; E82-N86 VanDerWaalsContact O-CG 3.24Å; E82-N86 PolarHBondContact O-N 3.26Å; E82-N86 PolarHBondContact O-ND2 2.98Å; E82-N86 VanDerWaalsContact O-ND2 3.09Å; N83-N86 PolarHBondContact O-N 3.49Å; Y84-N86 VanDerWaalsContact C-N 3.34Å; Y84-N86 PolarHBondContact O-N 3.14Å; N86-S89 PolarHBondContact O-N 3.43Å; N86-L90 PolarHBondContact O-N 3.45Å
87	V	54.5	Low	49	Very low	22 Å²	22	83.2 Å²	83.2	13%	0.133	42%	0.418	C	S	.	.	H	α-helix	trans	-65	-42.6	176.5	170.1	0	0	0	0	111.3	F53 V56 N83 Y84 S89 L90 D91	F53-V87 HydrophobicContact CB-CG1 4.43Å; V56-V87 HydrophobicContact CB-CG2 4.33Å; V56-V87 HydrophobicContact CG2-CG2 3.88Å; N83-V87 WeakPolarHBondContact O-CG2 3.41Å; N83-V87 PolarHBondContact O-N 3.2Å; Y84-V87 PolarHBondContact O-N 3.28Å; V87-S89 VanDerWaalsContact C-N 3.29Å; V87-S89 PolarHBondContact O-N 3.33Å; V87-L90 PolarHBondContact O-N 2.96Å; V87-D91 PolarHBondContact O-N 3.33Å
88	F	49.9	Very low	48.5	Very low	65 Å²	65	86.9 Å²	86.9	29%	0.285	44%	0.443	S	S	.	.	H	α-helix	trans	-66.1	-28.3	177	-175.6	-104.2	0	0	0	113.3	Y84 G85 R92 H109	Y84-F88 WeakPolarHBondContact O-CB 3.25Å; Y84-F88 PolarHBondContact O-N 2.91Å; G85-F88 PolarHBondContact O-N 2.83Å; F88-R92 PolarHBondContact O-N 3.07Å; F88-H109 AromaticContact CD1-NE2 3.96Å; F88-H109 AromaticContact CD2-CD2 3.72Å; F88-H109 AromaticContact CD2-NE2 3.6Å; F88-H109 AromaticContact CE2-CD2 3.57Å; F88-H109 AromaticContact CE2-NE2 3.78Å; F88-H109 AromaticContact CG-NE2 3.69Å
89	S	52.7	Low	48	Very low	65 Å²	65	87.8 Å²	87.8	46%	0.455	45%	0.448	S	S	.	.	H	α-helix	trans	-65.8	-43.7	172.2	-68.6	0	0	0	0	112.3	G85 N86 V87 D91 R92 E93	G85-S89 PolarHBondContact O-N 3.24Å; G85-S89 PolarHBondContact O-OG 3.23Å; G85-S89 VanDerWaalsContact O-OG 3.1Å; N86-S89 PolarHBondContact O-N 3.43Å; V87-S89 VanDerWaalsContact C-N 3.29Å; V87-S89 PolarHBondContact O-N 3.33Å; S89-D91 VanDerWaalsContact C-N 3.29Å; S89-D91 PolarHBondContact O-N 3.41Å; S89-R92 PolarHBondContact O-N 3.49Å; S89-R92 VanDerWaalsContact O-N 3.1Å; S89-E93 PolarHBondContact O-N 3.06Å
90	L	52.6	Low	47.6	Very low	89 Å²	89	94.4 Å²	94.4	47%	0.466	48%	0.475	S	S	.	.	H	α-helix	trans	-60.8	-38.7	176.5	-63.3	169.7	0	0	0	111.7	N86 V87 R92 E93 T94	N86-L90 PolarHBondContact O-N 3.45Å; V87-L90 PolarHBondContact O-N 2.96Å; L90-R92 PolarHBondContact O-N 2.96Å; L90-E93 PolarHBondContact O-N 3.41Å; L90-E93 VanDerWaalsContact O-N 3.11Å; L90-T94 PolarHBondContact O-N 3.38Å
91	D	42.1	Very low	46.5	Very low	62 Å²	62	103 Å²	103	33%	0.332	52%	0.515	S	S	.	.	H	α-helix	trans	-71.2	-5.5	178.4	-158.6	55.4	0	0	0	114.1	V87 S89 R95	V87-D91 PolarHBondContact O-N 3.33Å; S89-D91 VanDerWaalsContact C-N 3.29Å; S89-D91 PolarHBondContact O-N 3.41Å; D91-R95 IonicContact OD2-NH1 3.89Å
92	R	41.1	Very low	46.2	Very low	180 Å²	180	107.8 Å²	107.8	68%	0.679	54%	0.54	S	S	*	.	H	α-helix	trans	-98.4	-28.3	167.5	-64.5	-172.3	72.7	-152.4	0.3	113	F88 S89 L90 T94 R95	F88-R92 PolarHBondContact O-N 3.07Å; S89-R92 PolarHBondContact O-N 3.49Å; S89-R92 VanDerWaalsContact O-N 3.1Å; L90-R92 PolarHBondContact O-N 2.96Å; R92-T94 VanDerWaalsContact C-N 3.31Å; R92-R95 PolarHBondContact O-N 2.97Å
93	E	40.4	Very low	45.6	Very low	148 Å²	148	107.2 Å²	107.2	69%	0.692	55%	0.547	S	S	*	.	H	α-helix	trans	-73.6	-22.8	179	-68.7	179.4	154.8	0	0	112.6	S89 L90	S89-E93 PolarHBondContact O-N 3.06Å; L90-E93 PolarHBondContact O-N 3.41Å; L90-E93 VanDerWaalsContact O-N 3.11Å
94	T	40.3	Very low	45	Very low	84 Å²	84	113.3 Å²	113.3	52%	0.515	58%	0.575	S	S	.	*	T	Hydrogen-bonded Turn	trans	-79.5	-14	176.1	53.4	0	0	0	0	114.6	L50 L90 R92	L50-T94 HydrophobicContact CD2-CG2 4.18Å; L90-T94 PolarHBondContact O-N 3.38Å; R92-T94 VanDerWaalsContact C-N 3.31Å
95	R	40	Very low	44.5	Very low	124 Å²	124	115.1 Å²	115.1	47%	0.468	59%	0.587	S	S	.	*			trans	-98.3	91.9	-174.1	-79.3	171.2	151.9	156.2	-18.8	112.1	D91 R92 E97 D105	D91-R95 IonicContact OD2-NH1 3.89Å; R92-R95 PolarHBondContact O-N 2.97Å; R95-E97 PolarHBondContact O-N 2.74Å; R95-D105 IonicContact NH1-OD2 2.64Å; R95-D105 IonicContact NH2-OD2 3.61Å
96	T	34.9	Very low	43.7	Very low	122 Å²	122	118.2 Å²	118.2	75%	0.748	60%	0.6	S	S	*	*			trans	-80.6	98.4	179.3	53.6	0	0	0	0	113.1	N98	T96-N98 VanDerWaalsContact C-N 3.27Å; T96-N98 PolarHBondContact O-N 3.32Å
97	E	41.3	Very low	42.7	Very low	202 Å²	202	124.3 Å²	124.3	94%	0.944	62%	0.618	S	S	*	*	S	Bend	trans	47.5	-7.9	155.1	-62.9	-163.7	136	0	0	122.5	R95	R95-E97 PolarHBondContact O-N 2.74Å
98	N	41.2	Very low	42.3	Very low	151 Å²	151	125.9 Å²	125.9	81%	0.807	63%	0.629	S	S	*	*			trans	-106.1	-5.9	-175.1	-97	-9.7	0	0	0	116.1	T96 Q100	T96-N98 VanDerWaalsContact C-N 3.27Å; T96-N98 PolarHBondContact O-N 3.32Å; N98-Q100 PolarHBondContact O-N 3.46Å
99	D	40.1	Very low	42.2	Very low	120 Å²	120	124.7 Å²	124.7	64%	0.642	63%	0.625	S	S	*	*			trans	-86.8	82.1	179.7	-70.1	-21.4	0	0	0	111.6	E101	D99-E101 PolarHBondContact O-N 3.04Å
100	Q	44.8	Very low	41.7	Very low	194 Å²	194	123.7 Å²	123.7	91%	0.907	63%	0.625	S	S	*	*			trans	-80.1	41.8	-174	-153.6	175.2	15.2	0	0	115	N98	N98-Q100 PolarHBondContact O-N 3.46Å
101	E	42.3	Very low	41.5	Very low	184 Å²	184	123.1 Å²	123.1	86%	0.86	63%	0.625	S	S	*	*			trans	-121.7	50.8	176.3	-70.9	-156.9	138.2	0	0	113.7	D99 S103	D99-E101 PolarHBondContact O-N 3.04Å; E101-S103 PolarHBondContact O-N 3.37Å; E101-S103 VanDerWaalsContact O-N 3.09Å
102	I	45.1	Very low	41.6	Very low	160 Å²	160	123.6 Å²	123.6	82%	0.821	63%	0.627	S	S	*	*			trans	-81.3	88.3	175.2	-53.6	178.8	0	0	0	110.2
103	S	40.8	Very low	41.9	Very low	94 Å²	94	117.9 Å²	117.9	66%	0.657	61%	0.609	S	S	*	*	S	Bend	trans	-149.7	-49	172.7	-170.9	0	0	0	0	114.7	E101	E101-S103 PolarHBondContact O-N 3.37Å; E101-S103 VanDerWaalsContact O-N 3.09Å
104	E	38.4	Very low	42.1	Very low	162 Å²	162	112.9 Å²	112.9	76%	0.757	60%	0.597	S	S	*	*	S	Bend	trans	-94.8	-30.8	-169.9	-57.7	-152.6	135.3	0	0	114.7	T106 R107 S108	E104-T106 PolarHBondContact O-N 3.37Å; E104-R107 WeakPolarHBondContact O-CB 3.16Å; E104-R107 PolarHBondContact O-N 3.01Å; E104-R107 VanDerWaalsContact O-N 3.08Å; E104-S108 PolarHBondContact O-N 2.94Å
105	D	43.4	Very low	42.5	Very low	81 Å²	81	114.9 Å²	114.9	43%	0.433	60%	0.595	S	S	.	*	H	α-helix	trans	-64.7	-39.3	-170.6	-159.7	17.5	0	0	0	112.9	R95 R107 S108 H109	R95-D105 IonicContact NH1-OD2 2.64Å; R95-D105 IonicContact NH2-OD2 3.61Å; D105-R107 VanDerWaalsContact C-N 3.26Å; D105-R107 PolarHBondContact O-N 2.87Å; D105-S108 WeakPolarHBondContact O-CB 3.07Å; D105-S108 PolarHBondContact O-N 3.36Å; D105-H109 WeakPolarHBondContact O-CB 3.2Å; D105-H109 PolarHBondContact O-N 3.02Å
106	T	36.9	Very low	43	Very low	97 Å²	97	109.9 Å²	109.9	60%	0.595	58%	0.577	S	S	*	*	H	α-helix	trans	-64.3	-30.1	175.5	54	0	0	0	0	112.8	E104 G110	E104-T106 PolarHBondContact O-N 3.37Å; T106-G110 PolarHBondContact O-N 3.41Å; T106-G110 VanDerWaalsContact O-N 3.12Å
107	R	34.7	Very low	43.6	Very low	205 Å²	205	109.7 Å²	109.7	77%	0.774	57%	0.568	S	S	*	*	H	α-helix	trans	-75.5	-38.5	176.1	-158.1	179.4	-164.2	172.8	5.9	111.3	E104 D105 V111	E104-R107 WeakPolarHBondContact O-CB 3.16Å; E104-R107 PolarHBondContact O-N 3.01Å; E104-R107 VanDerWaalsContact O-N 3.08Å; D105-R107 VanDerWaalsContact C-N 3.26Å; D105-R107 PolarHBondContact O-N 2.87Å; R107-V111 WeakPolarHBondContact O-CG2 3.36Å; R107-V111 PolarHBondContact O-N 2.86Å
108	S	45.7	Very low	44.2	Very low	54 Å²	54	106.1 Å²	106.1	38%	0.378	55%	0.549	S	S	.	.	H	α-helix	trans	-59.6	-51.1	170	176.3	0	0	0	0	111.2	E104 D105 G110 V111 L112	E104-S108 PolarHBondContact O-N 2.94Å; D105-S108 WeakPolarHBondContact O-CB 3.07Å; D105-S108 PolarHBondContact O-N 3.36Å; S108-G110 PolarHBondContact O-N 2.94Å; S108-V111 PolarHBondContact O-N 3.14Å; S108-V111 VanDerWaalsContact O-N 3.12Å; S108-L112 PolarHBondContact O-N 3.46Å
109	H	47.7	Very low	44.6	Very low	41 Å²	41	101.3 Å²	101.3	19%	0.19	52%	0.523	C	S	.	.	H	α-helix	trans	-57.8	-44	179.5	-176.9	-96.8	0	0	0	112.8	Y84 F88 D105 V111 L112 L113	Y84-H109 AromaticContact CE1-NE2 3.36Å; Y84-H109 WeakPolarHBondContact CE1-NE2 3.21Å; Y84-H109 AromaticContact CZ-NE2 3.75Å; Y84-H109 PolarHBondContact OH-CD2 3.21Å; Y84-H109 PolarHBondContact OH-NE2 3.03Å; F88-H109 AromaticContact CD1-NE2 3.96Å; F88-H109 AromaticContact CD2-CD2 3.72Å; F88-H109 AromaticContact CD2-NE2 3.6Å; F88-H109 AromaticContact CE2-CD2 3.57Å; F88-H109 AromaticContact CE2-NE2 3.78Å; F88-H109 AromaticContact CG-NE2 3.69Å; D105-H109 WeakPolarHBondContact O-CB 3.2Å; D105-H109 PolarHBondContact O-N 3.02Å; H109-V111 VanDerWaalsContact C-N 3.32Å; H109-V111 PolarHBondContact O-N 3.19Å; H109-L112 PolarHBondContact O-N 2.92Å; H109-L113 WeakPolarHBondContact O-CB 3.47Å; H109-L113 PolarHBondContact O-N 3.49Å
110	G	42.8	Very low	45	Very low	44 Å²	44	96.5 Å²	96.5	45%	0.454	50%	0.497	S	S	.	.	H	α-helix	trans	-61.7	-35.5	175.9	0	0	0	0	0	114	T106 S108 G114	T106-G110 PolarHBondContact O-N 3.41Å; T106-G110 VanDerWaalsContact O-N 3.12Å; S108-G110 PolarHBondContact O-N 2.94Å; G110-G114 PolarHBondContact O-N 3.45Å
111	V	46.6	Very low	45.1	Very low	77 Å²	77	90.4 Å²	90.4	47%	0.467	48%	0.476	S	S	.	.	H	α-helix	trans	-72.4	-39	175.6	173.7	0	0	0	0	111.5	R107 S108 H109 R115	R107-V111 WeakPolarHBondContact O-CG2 3.36Å; R107-V111 PolarHBondContact O-N 2.86Å; S108-V111 PolarHBondContact O-N 3.14Å; S108-V111 VanDerWaalsContact O-N 3.12Å; H109-V111 VanDerWaalsContact C-N 3.32Å; H109-V111 PolarHBondContact O-N 3.19Å; V111-R115 WeakPolarHBondContact O-CG 3.23Å; V111-R115 PolarHBondContact O-N 2.99Å; V111-R115 VanDerWaalsContact O-N 3.1Å
112	L	46.1	Very low	45.3	Very low	72 Å²	72	87.1 Å²	87.1	38%	0.377	46%	0.461	S	S	.	.	H	α-helix	trans	-62.3	-49.6	174.4	-80.5	163.3	0	0	0	111.6	S108 H109 G114 R115 F116	S108-L112 PolarHBondContact O-N 3.46Å; H109-L112 PolarHBondContact O-N 2.92Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 2.82Å; L112-R115 PolarHBondContact O-N 2.89Å; L112-R115 VanDerWaalsContact O-N 3.15Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 PolarHBondContact O-N 3.27Å
113	L	46.7	Very low	45.5	Very low	60 Å²	60	80.3 Å²	80.3	31%	0.314	43%	0.43	S	S	.	.	H	α-helix	trans	-59.4	-41.9	178.9	-169.4	70.3	0	0	0	112	L81 Y84 H109 R115 F116 Q117	L81-L113 HydrophobicContact CD2-CD1 3.89Å; Y84-L113 HydrophobicContact CD1-CD1 3.88Å; Y84-L113 HydrophobicContact CE1-CD1 3.86Å; H109-L113 WeakPolarHBondContact O-CB 3.47Å; H109-L113 PolarHBondContact O-N 3.49Å; L113-R115 PolarHBondContact O-N 3.05Å; L113-F116 HydrophobicContact CD1-CD1 4.5Å; L113-F116 PolarHBondContact O-N 3.41Å; L113-Q117 WeakPolarHBondContact O-CB 3.44Å; L113-Q117 PolarHBondContact O-N 2.95Å
114	G	44.5	Very low	46	Very low	42 Å²	42	79.7 Å²	79.7	43%	0.433	42%	0.419	S	S	.	.	H	α-helix	trans	-66.7	-32	176.3	0	0	0	0	0	114.4	G110 L112	G110-G114 PolarHBondContact O-N 3.45Å; L112-G114 VanDerWaalsContact C-N 3.32Å; L112-G114 PolarHBondContact O-N 2.82Å
115	R	48.3	Very low	46.4	Very low	126 Å²	126	77 Å²	77	48%	0.475	41%	0.405	S	S	.	.	H	α-helix	trans	-75.4	-43	172.6	-71.3	179.2	-174.3	-167.4	2.2	111.5	V111 L112 L113 Q117 K118 D119 E133	V111-R115 WeakPolarHBondContact O-CG 3.23Å; V111-R115 PolarHBondContact O-N 2.99Å; V111-R115 VanDerWaalsContact O-N 3.1Å; L112-R115 PolarHBondContact O-N 2.89Å; L112-R115 VanDerWaalsContact O-N 3.15Å; L113-R115 PolarHBondContact O-N 3.05Å; R115-Q117 PolarHBondContact O-N 3.34Å; R115-K118 WeakPolarHBondContact O-CA 3.45Å; R115-K118 WeakPolarHBondContact O-CB 3.42Å; R115-K118 PolarHBondContact O-N 2.85Å; R115-K118 VanDerWaalsContact O-N 3.07Å; R115-D119 PolarHBondContact O-N 3.3Å; R115-E133 IonicContact CZ-OE1 3.77Å; R115-E133 IonicContact NH1-OE1 2.66Å; R115-E133 PolarHBondContact NH1-OE1 3.3Å
116	F	51.3	Low	46.5	Very low	20 Å²	20	75.9 Å²	75.9	9%	0.088	40%	0.396	C	S	.	.	H	α-helix	trans	-55.6	-48.2	176.1	178.6	-113.6	0	0	0	112.5	F53 M80 L81 L112 L113 K118 D119 I120 F126	F53-F116 AromaticContact CE1-CE2 3.67Å; F53-F116 HydrophobicContact CE1-CE2 3.67Å; F53-F116 AromaticContact CE1-CZ 3.78Å; F53-F116 HydrophobicContact CE1-CZ 3.78Å; F53-F116 HydrophobicContact CZ-CE2 4.02Å; F53-F116 AromaticContact CZ-CZ 3.62Å; F53-F116 HydrophobicContact CZ-CZ 3.62Å; M80-F116 HydrophobicContact CB-CZ 4.24Å; L81-F116 HydrophobicContact CD2-CD1 4.04Å; L81-F116 HydrophobicContact CD2-CE1 3.87Å; L81-F116 HydrophobicContact CG-CE1 4.37Å; L112-F116 WeakPolarHBondContact O-CB 3.39Å; L112-F116 PolarHBondContact O-N 3.27Å; L113-F116 HydrophobicContact CD1-CD1 4.5Å; L113-F116 PolarHBondContact O-N 3.41Å; F116-K118 PolarHBondContact O-N 2.78Å; F116-D119 PolarHBondContact O-N 3.25Å; F116-I120 HydrophobicContact CD1-CD1 4.09Å; F116-I120 HydrophobicContact CD2-CD1 4.1Å; F116-I120 HydrophobicContact CE1-CD1 3.7Å; F116-I120 HydrophobicContact CE2-CD1 3.72Å; F116-I120 HydrophobicContact CE2-CG1 4.39Å; F116-I120 HydrophobicContact CG-CD1 4.29Å; F116-I120 HydrophobicContact CZ-CD1 3.52Å; F116-I120 PolarHBondContact O-N 3.04Å; F116-I120 VanDerWaalsContact O-N 3.11Å; F116-F126 AromaticContact CD2-CD2 3.9Å; F116-F126 HydrophobicContact CD2-CD2 3.9Å; F116-F126 AromaticContact CD2-CE2 3.67Å; F116-F126 HydrophobicContact CD2-CE2 3.67Å; F116-F126 AromaticContact CE2-CD2 3.87Å; F116-F126 HydrophobicContact CE2-CD2 3.87Å; F116-F126 AromaticContact CE2-CE2 3.76Å; F116-F126 HydrophobicContact CE2-CE2 3.76Å
117	Q	47.5	Very low	46.5	Very low	117 Å²	117	76.3 Å²	76.3	55%	0.547	39%	0.39	S	S	.	.	H	α-helix	trans	-61.4	-33.1	177	-165.2	179.1	23.4	0	0	112.5	L113 R115 S121	L113-Q117 WeakPolarHBondContact O-CB 3.44Å; L113-Q117 PolarHBondContact O-N 2.95Å; R115-Q117 PolarHBondContact O-N 3.34Å; Q117-S121 WeakPolarHBondContact O-CB 3.48Å; Q117-S121 PolarHBondContact O-N 2.91Å; Q117-S121 PolarHBondContact O-OG 3.13Å
118	K	52.5	Low	46.9	Very low	127 Å²	127	70.8 Å²	70.8	55%	0.552	37%	0.372	S	S	*	.	H	α-helix	trans	-72.5	-45	176	-176.8	-179.4	174.7	-177.2	0	112.1	R115 F116 S121 Q122	R115-K118 WeakPolarHBondContact O-CA 3.45Å; R115-K118 WeakPolarHBondContact O-CB 3.42Å; R115-K118 PolarHBondContact O-N 2.85Å; R115-K118 VanDerWaalsContact O-N 3.07Å; F116-K118 PolarHBondContact O-N 2.78Å; K118-S121 CarbonylContact O-C 3.58Å; K118-S121 WeakPolarHBondContact O-CB 3.4Å; K118-S121 PolarHBondContact O-N 3.09Å; K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.46Å; K118-Q122 VanDerWaalsContact O-N 3.13Å
119	D	50.6	Low	46.8	Very low	51 Å²	51	69.5 Å²	69.5	27%	0.273	37%	0.365	S	S	.	.	H	α-helix	trans	-74.1	-34.8	-173.8	-71	-13.9	0	0	0	113	R115 F116 S121 Q122 G123 L124	R115-D119 PolarHBondContact O-N 3.3Å; F116-D119 PolarHBondContact O-N 3.25Å; D119-S121 VanDerWaalsContact C-N 3.32Å; D119-Q122 CarbonylContact O-C 3.24Å; D119-Q122 PolarHBondContact O-N 3.49Å; D119-Q122 VanDerWaalsContact O-N 3.16Å; D119-G123 PolarHBondContact O-N 2.92Å; D119-G123 VanDerWaalsContact O-N 3.12Å; D119-L124 PolarHBondContact O-N 3.18Å
120	I	48.8	Very low	46.4	Very low	19 Å²	19	73.3 Å²	73.3	10%	0.097	38%	0.379	C	S	.	.	H	α-helix	trans	-63.6	-41.6	168.5	-60.3	167.3	0	0	0	110.2	W65 Y76 R77 F116 Q122 G123	W65-I120 HydrophobicContact CH2-CG2 3.98Å; W65-I120 HydrophobicContact CZ2-CG2 4.27Å; Y76-I120 HydrophobicContact CD1-CG2 4.05Å; Y76-I120 HydrophobicContact CE1-CG2 3.78Å; R77-I120 HydrophobicContact CG-CB 4.33Å; R77-I120 HydrophobicContact CG-CG2 3.47Å; R77-I120 VanDerWaalsContact CG-CG2 3.47Å; F116-I120 HydrophobicContact CD1-CD1 4.09Å; F116-I120 HydrophobicContact CD2-CD1 4.1Å; F116-I120 HydrophobicContact CE1-CD1 3.7Å; F116-I120 HydrophobicContact CE2-CD1 3.72Å; F116-I120 HydrophobicContact CE2-CG1 4.39Å; F116-I120 HydrophobicContact CG-CD1 4.29Å; F116-I120 HydrophobicContact CZ-CD1 3.52Å; F116-I120 PolarHBondContact O-N 3.04Å; F116-I120 VanDerWaalsContact O-N 3.11Å; I120-Q122 PolarHBondContact O-N 3.34Å; I120-Q122 VanDerWaalsContact O-N 3.12Å; I120-G123 PolarHBondContact O-N 2.82Å
121	S	45.8	Very low	46.4	Very low	66 Å²	66	75.9 Å²	75.9	46%	0.462	38%	0.379	S	S	.	.	H	α-helix	trans	-64.3	-15.4	176.7	-58.3	0	0	0	0	113.3	R77 Q117 K118 D119	R77-S121 PolarHBondContact NH1-OG 3.1Å; Q117-S121 WeakPolarHBondContact O-CB 3.48Å; Q117-S121 PolarHBondContact O-N 2.91Å; Q117-S121 PolarHBondContact O-OG 3.13Å; K118-S121 CarbonylContact O-C 3.58Å; K118-S121 WeakPolarHBondContact O-CB 3.4Å; K118-S121 PolarHBondContact O-N 3.09Å; D119-S121 VanDerWaalsContact C-N 3.32Å
122	Q	47.8	Very low	46.4	Very low	115 Å²	115	80.1 Å²	80.1	54%	0.537	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-101.5	-4	172.5	-65.3	-172.4	11.4	0	0	114.1	K118 D119 I120 L124	K118-Q122 WeakPolarHBondContact O-CG 3.48Å; K118-Q122 PolarHBondContact O-N 2.46Å; K118-Q122 VanDerWaalsContact O-N 3.13Å; D119-Q122 CarbonylContact O-C 3.24Å; D119-Q122 PolarHBondContact O-N 3.49Å; D119-Q122 VanDerWaalsContact O-N 3.16Å; I120-Q122 PolarHBondContact O-N 3.34Å; I120-Q122 VanDerWaalsContact O-N 3.12Å; Q122-L124 VanDerWaalsContact C-N 3.34Å; Q122-L124 HydrophobicContact CB-CD1 4.36Å; Q122-L124 HydrophobicContact CB-CG 4.25Å; Q122-L124 PolarHBondContact O-N 3.38Å
123	G	48.2	Very low	46.1	Very low	16 Å²	16	79.5 Å²	79.5	17%	0.165	38%	0.382	C	S	.	.	T	Hydrogen-bonded Turn	trans	62.6	38.3	-178.7	0	0	0	0	0	113.3	D119 I120	D119-G123 PolarHBondContact O-N 2.92Å; D119-G123 VanDerWaalsContact O-N 3.12Å; I120-G123 PolarHBondContact O-N 2.82Å
124	L	51.8	Low	45.8	Very low	81 Å²	81	80.1 Å²	80.1	42%	0.424	39%	0.388	S	S	.	.			trans	-85.7	151.1	172.1	-67.4	173	0	0	0	110.5	D119 Q122 F126	D119-L124 PolarHBondContact O-N 3.18Å; Q122-L124 VanDerWaalsContact C-N 3.34Å; Q122-L124 HydrophobicContact CB-CD1 4.36Å; Q122-L124 HydrophobicContact CB-CG 4.25Å; Q122-L124 PolarHBondContact O-N 3.38Å; L124-F126 PolarHBondContact O-N 2.92Å
125	K	46.7	Very low	45.7	Very low	107 Å²	107	82.7 Å²	82.7	47%	0.465	40%	0.399	S	S	.	.			trans	-75.5	119.5	174.2	-77.4	168	166.3	-171.7	0	109.5	K127 E128 A129	K125-K127 VanDerWaalsContact C-N 3.35Å; K125-K127 PolarHBondContact O-N 3.23Å; K125-E128 HydrophobicContact CB-CB 4.22Å; K125-E128 HydrophobicContact CB-CG 4.1Å; K125-E128 HydrophobicContact CD-CG 4.01Å; K125-E128 WeakPolarHBondContact CD-OE1 3.49Å; K125-E128 WeakPolarHBondContact CE-OE1 3.33Å; K125-E128 IonicContact NZ-OE1 2.67Å; K125-E128 PolarHBondContact NZ-OE1 3.39Å; K125-E128 PolarHBondContact O-N 3.18Å; K125-E128 VanDerWaalsContact O-N 3.12Å; K125-A129 PolarHBondContact O-N 3.41Å
126	F	44.8	Very low	45.3	Very low	57 Å²	57	83.8 Å²	83.8	25%	0.25	41%	0.414	C	S	.	.	H	α-helix	trans	-48.6	-50.6	179	-178	-105.5	0	0	0	113.4	F53 E54 Y59 F116 L124 E128 A129 Y130	F53-F126 AromaticContact CD1-CE1 3.86Å; F53-F126 HydrophobicContact CD1-CE1 3.86Å; F53-F126 HydrophobicContact CD1-CE2 4.33Å; F53-F126 AromaticContact CD1-CZ 3.65Å; F53-F126 HydrophobicContact CD1-CZ 3.65Å; F53-F126 HydrophobicContact CE1-CE1 4.21Å; F53-F126 HydrophobicContact CE1-CE2 4.22Å; F53-F126 AromaticContact CE1-CZ 3.96Å; F53-F126 HydrophobicContact CE1-CZ 3.96Å; E54-F126 HydrophobicContact CG-CE1 4.19Å; Y59-F126 HydrophobicContact CD1-CB 4.29Å; Y59-F126 HydrophobicContact CE1-CB 3.81Å; Y59-F126 AromaticContact CE1-CD1 3.93Å; Y59-F126 HydrophobicContact CE1-CD1 3.93Å; Y59-F126 HydrophobicContact CE1-CG 4.25Å; F116-F126 AromaticContact CD2-CD2 3.9Å; F116-F126 HydrophobicContact CD2-CD2 3.9Å; F116-F126 AromaticContact CD2-CE2 3.67Å; F116-F126 HydrophobicContact CD2-CE2 3.67Å; F116-F126 AromaticContact CE2-CD2 3.87Å; F116-F126 HydrophobicContact CE2-CD2 3.87Å; F116-F126 AromaticContact CE2-CE2 3.76Å; F116-F126 HydrophobicContact CE2-CE2 3.76Å; L124-F126 PolarHBondContact O-N 2.92Å; F126-E128 VanDerWaalsContact C-N 3.35Å; F126-E128 PolarHBondContact O-N 3.46Å; F126-A129 WeakPolarHBondContact O-CA 3.34Å; F126-A129 WeakPolarHBondContact O-CB 3.42Å; F126-A129 PolarHBondContact O-N 3.39Å; F126-Y130 PolarHBondContact O-N 2.9Å
127	K	38.1	Very low	44.6	Very low	106 Å²	106	89.6 Å²	89.6	46%	0.461	44%	0.439	S	S	.	.	H	α-helix	trans	-56.8	-42	179.2	-174.2	158.6	-171.8	151.7	0	113.8	K125 A129 Y130 E131	K125-K127 VanDerWaalsContact C-N 3.35Å; K125-K127 PolarHBondContact O-N 3.23Å; K127-A129 PolarHBondContact O-N 2.89Å; K127-Y130 PolarHBondContact O-N 3.14Å; K127-E131 WeakPolarHBondContact CE-OE1 3.26Å; K127-E131 HydrophobicContact CG-CG 4.16Å; K127-E131 WeakPolarHBondContact CG-OE1 3.24Å; K127-E131 IonicContact NZ-OE1 3.99Å; K127-E131 WeakPolarHBondContact O-CB 3.41Å; K127-E131 VanDerWaalsContact O-CG 3.29Å; K127-E131 WeakPolarHBondContact O-CG 3.27Å; K127-E131 PolarHBondContact O-N 3.32Å
128	E	43.3	Very low	43.8	Very low	88 Å²	88	94.5 Å²	94.5	41%	0.411	45%	0.452	S	S	.	.	H	α-helix	trans	-72.2	-11.6	178.3	-65.1	177.4	-175.7	0	0	113.4	K125 F126 R132	K125-E128 HydrophobicContact CB-CB 4.22Å; K125-E128 HydrophobicContact CB-CG 4.1Å; K125-E128 HydrophobicContact CD-CG 4.01Å; K125-E128 WeakPolarHBondContact CD-OE1 3.49Å; K125-E128 WeakPolarHBondContact CE-OE1 3.33Å; K125-E128 IonicContact NZ-OE1 2.67Å; K125-E128 PolarHBondContact NZ-OE1 3.39Å; K125-E128 PolarHBondContact O-N 3.18Å; K125-E128 VanDerWaalsContact O-N 3.12Å; F126-E128 VanDerWaalsContact C-N 3.35Å; F126-E128 PolarHBondContact O-N 3.46Å; E128-R132 WeakPolarHBondContact O-CG 3.47Å; E128-R132 PolarHBondContact O-NH1 3.01Å
129	A	43.4	Very low	42.7	Very low	28 Å²	28	94 Å²	94	23%	0.231	46%	0.463	C	S	.	.	H	α-helix	trans	-92.3	-46.4	170.6	0	0	0	0	0	111	K125 F126 K127 R132 E133	K125-A129 PolarHBondContact O-N 3.41Å; F126-A129 WeakPolarHBondContact O-CA 3.34Å; F126-A129 WeakPolarHBondContact O-CB 3.42Å; F126-A129 PolarHBondContact O-N 3.39Å; K127-A129 PolarHBondContact O-N 2.89Å; A129-R132 WeakPolarHBondContact O-CB 3.36Å; A129-R132 PolarHBondContact O-N 3.25Å; A129-E133 PolarHBondContact O-N 2.96Å
130	Y	39.2	Very low	41.9	Very low	120 Å²	120	100.1 Å²	100.1	47%	0.471	49%	0.494	S	S	.	.	H	α-helix	trans	-61.3	-47.5	178.7	-177.4	-120.9	0	0	0	112.5	E54 F126 K127 R132 E133 V134	E54-Y130 WeakPolarHBondContact OE1-CD1 3.37Å; F126-Y130 PolarHBondContact O-N 2.9Å; K127-Y130 PolarHBondContact O-N 3.14Å; Y130-R132 PolarHBondContact O-N 3.11Å; Y130-R132 VanDerWaalsContact O-N 3.14Å; Y130-E133 PolarHBondContact O-N 3.23Å; Y130-E133 VanDerWaalsContact O-N 3.09Å; Y130-V134 HydrophobicContact CD1-CG2 4.38Å; Y130-V134 HydrophobicContact CD2-CG2 4.15Å; Y130-V134 HydrophobicContact CE1-CG2 4.08Å; Y130-V134 HydrophobicContact CE2-CG2 3.81Å; Y130-V134 HydrophobicContact CG-CG2 4.41Å; Y130-V134 WeakPolarHBondContact O-CG2 3.48Å; Y130-V134 PolarHBondContact O-N 3.13Å
131	E	43.2	Very low	40.8	Very low	99 Å²	99	102.2 Å²	102.2	46%	0.463	52%	0.521	S	S	.	.	H	α-helix	trans	-58.7	-29.2	177.3	-71.9	173.7	164.7	0	0	112.7	K127 S135	K127-E131 WeakPolarHBondContact CE-OE1 3.26Å; K127-E131 HydrophobicContact CG-CG 4.16Å; K127-E131 WeakPolarHBondContact CG-OE1 3.24Å; K127-E131 IonicContact NZ-OE1 3.99Å; K127-E131 WeakPolarHBondContact O-CB 3.41Å; K127-E131 VanDerWaalsContact O-CG 3.29Å; K127-E131 WeakPolarHBondContact O-CG 3.27Å; K127-E131 PolarHBondContact O-N 3.32Å; E131-S135 WeakPolarHBondContact O-CB 3.23Å; E131-S135 PolarHBondContact O-N 3.06Å; E131-S135 VanDerWaalsContact O-N 3.15Å; E131-S135 PolarHBondContact O-OG 2.85Å
132	R	46.1	Very low	39.9	Very low	166 Å²	166	107.3 Å²	107.3	63%	0.626	54%	0.543	S	S	*	.	H	α-helix	trans	-74.3	-43	174.6	-72.6	-175.5	179.2	114.6	-6.5	112.5	E128 A129 Y130 S135 L136	E128-R132 WeakPolarHBondContact O-CG 3.47Å; E128-R132 PolarHBondContact O-NH1 3.01Å; A129-R132 WeakPolarHBondContact O-CB 3.36Å; A129-R132 PolarHBondContact O-N 3.25Å; Y130-R132 PolarHBondContact O-N 3.11Å; Y130-R132 VanDerWaalsContact O-N 3.14Å; R132-S135 PolarHBondContact O-N 2.78Å; R132-L136 WeakPolarHBondContact O-CG 3.38Å; R132-L136 PolarHBondContact O-N 3.33Å; R132-L136 VanDerWaalsContact O-N 3.11Å
133	E	40	Very low	38.9	Very low	58 Å²	58	107.2 Å²	107.2	27%	0.271	56%	0.555	S	S	.	*	H	α-helix	trans	-69.2	-38.3	176.8	-78.1	-149	-175.1	0	0	112.3	R115 A129 Y130 S135 L136 K137	R115-E133 IonicContact CZ-OE1 3.77Å; R115-E133 IonicContact NH1-OE1 2.66Å; R115-E133 PolarHBondContact NH1-OE1 3.3Å; A129-E133 PolarHBondContact O-N 2.96Å; Y130-E133 PolarHBondContact O-N 3.23Å; Y130-E133 VanDerWaalsContact O-N 3.09Å; E133-S135 VanDerWaalsContact C-N 3.26Å; E133-S135 PolarHBondContact O-N 3.48Å; E133-L136 PolarHBondContact O-N 3.45Å; E133-K137 WeakPolarHBondContact O-CG 3.04Å; E133-K137 PolarHBondContact O-N 2.82Å
134	V	40.4	Very low	38.4	Very low	74 Å²	74	112.6 Å²	112.6	45%	0.448	59%	0.587	S	S	.	*	H	α-helix	trans	-60.6	-38.2	172.4	175	0	0	0	0	111	Y130 L136 K137	Y130-V134 HydrophobicContact CD1-CG2 4.38Å; Y130-V134 HydrophobicContact CD2-CG2 4.15Å; Y130-V134 HydrophobicContact CE1-CG2 4.08Å; Y130-V134 HydrophobicContact CE2-CG2 3.81Å; Y130-V134 HydrophobicContact CG-CG2 4.41Å; Y130-V134 WeakPolarHBondContact O-CG2 3.48Å; Y130-V134 PolarHBondContact O-N 3.13Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 PolarHBondContact O-N 3.23Å; V134-K137 PolarHBondContact O-N 2.88Å
135	S	42.3	Very low	37.1	Very low	96 Å²	96	112.2 Å²	112.2	67%	0.671	60%	0.602	S	S	*	*	H	α-helix	trans	-67.8	-24.9	174.3	-60.6	0	0	0	0	113.9	E131 R132 E133	E131-S135 WeakPolarHBondContact O-CB 3.23Å; E131-S135 PolarHBondContact O-N 3.06Å; E131-S135 VanDerWaalsContact O-N 3.15Å; E131-S135 PolarHBondContact O-OG 2.85Å; R132-S135 PolarHBondContact O-N 2.78Å; E133-S135 VanDerWaalsContact C-N 3.26Å; E133-S135 PolarHBondContact O-N 3.48Å
136	L	39	Very low	36.1	Very low	148 Å²	148	116.1 Å²	116.1	78%	0.775	62%	0.622	S	S	*	*	H	α-helix	trans	-86	-12.5	178.1	-79.6	162.7	0	0	0	113.8	R132 E133 V134	R132-L136 WeakPolarHBondContact O-CG 3.38Å; R132-L136 PolarHBondContact O-N 3.33Å; R132-L136 VanDerWaalsContact O-N 3.11Å; E133-L136 PolarHBondContact O-N 3.45Å; V134-L136 VanDerWaalsContact C-N 3.29Å; V134-L136 PolarHBondContact O-N 3.23Å
137	K	36.2	Very low	35.2	Very low	142 Å²	142	123.6 Å²	123.6	62%	0.617	65%	0.649	S	S	*	*	S	Bend	trans	-95	4.6	-175	-77.1	-178.3	178.2	-179.5	0	115.6	E133 V134 P139	E133-K137 WeakPolarHBondContact O-CG 3.04Å; E133-K137 PolarHBondContact O-N 2.82Å; V134-K137 PolarHBondContact O-N 2.88Å; K137-P139 WeakPolarHBondContact O-CD 3.38Å
138	R	31.2	Very low	34.5	Very low	220 Å²	220	125.3 Å²	125.3	83%	0.83	66%	0.662	S	S	*	*	P	Polyproline II helix	trans	-82.9	125.4	176.4	-76	-165.6	-178.8	-159.6	1.9	112.9
139	P	29.8	Very low	33.6	Very low	118 Å²	118	126.7 Å²	126.7	77%	0.766	68%	0.677	S	S	*	*	P	Polyproline II helix	trans	-67.6	169.1	158.3	-16.7	32.5	0	0	0	112.2	K137	K137-P139 WeakPolarHBondContact O-CD 3.38Å
140	L	33.5	Very low	32.7	Very low	178 Å²	178	135.6 Å²	135.6	93%	0.932	71%	0.705	S	S	*	*	P	Polyproline II helix	trans	-77.1	149	179.5	-83.9	72.6	0	0	0	113.1
141	G	26.1	Very low	31.9	Very low	64 Å²	64	137.7 Å²	137.7	66%	0.66	72%	0.716	S	S	*	*			trans	102.4	133	163.2	0	0	0	0	0	114.5
142	N	26.7	Very low	31.2	Very low	173 Å²	173	141.2 Å²	141.2	93%	0.925	74%	0.735	S	S	*	*			cis	-139.8	168.9	-7.5	-81.7	-40	0	0	0	110.1
143	S	27.2	Very low	30.2	Very low	113 Å²	113	140.3 Å²	140.3	79%	0.79	74%	0.738	S	S	*	*			trans	-136	171.6	174.8	89.6	0	0	0	0	108.3
144	P	37.6	Very low	29.4	Very low	128 Å²	128	143.6 Å²	143.6	83%	0.831	76%	0.757	S	S	*	*			cis	-136.2	172.4	33.4	38.4	-19	0	0	0	117.1
145	G	24.2	Very low	28.6	Very low	73 Å²	73	150 Å²	150	75%	0.753	78%	0.779	S	S	*	*			trans	-170.8	118	167.8	0	0	0	0	0	109.9
146	E	24.9	Very low	27.7	Very low	189 Å²	189	149.3 Å²	149.3	88%	0.883	79%	0.787	S	S	*	*			trans	-71.3	140.5	-168.6	-62.2	165.9	119.4	0	0	111.8
147	R	25.7	Very low	26.9	Very low	214 Å²	214	151.3 Å²	151.3	81%	0.808	79%	0.792	S	S	*	*			cis	80.5	92.1	36.4	-169.1	-126.1	-88.1	-163.7	-5.3	114.8
148	L	23.3	Very low	26.2	Very low	143 Å²	143	150.8 Å²	150.8	75%	0.749	80%	0.801	S	S	*	*				179.3	135.6	123.5	-95.5	154.3	0	0	0	114.7
149	T	25.7	Very low	25.6	Very low	116 Å²	116	146.2 Å²	146.2	71%	0.712	80%	0.797	S	S	*	*			trans	-4.8	155.6	151.9	61.7	0	0	0	0	119.7
150	R	23.8	Very low	25.3	Very low	216 Å²	216	146.5 Å²	146.5	82%	0.815	80%	0.797	S	S	*	*				179	156	59.9	-160.3	176.6	-175.7	178	3.3	114.7
151	K	22.8	Very low	24.6	Very low	163 Å²	163	146.4 Å²	146.4	71%	0.709	79%	0.791	S	S	*	*			trans	77.8	146.3	153.7	-102.1	179	176.4	-159.7	0	120.5
152	M	28.6	Very low	24.5	Very low	174 Å²	174	150.7 Å²	150.7	86%	0.857	79%	0.794	S	S	*	*			trans	-92.4	158.8	161.4	-56.6	148.6	59.9	0	0	109.3
153	Q	25.4	Very low	24.3	Very low	147 Å²	147	149.9 Å²	149.9	69%	0.687	78%	0.783	S	S	*	*			trans	-173.3	131	143	-102.2	176.3	-81.7	0	0	113.9
154	D	23.6	Very low	24.1	Very low	126 Å²	126	151.6 Å²	151.6	67%	0.674	78%	0.781	S	S	*	*			trans	56.4	125.4	139.9	-45.3	-28.2	0	0	0	125.7
155	F	22.8	Very low	23.5	Very low	210 Å²	210	151.2 Å²	151.2	92%	0.921	78%	0.777	S	S	*	*			trans	23.5	140.3	143.5	-75.3	-94.8	0	0	0	125
156	G	23.1	Very low	23.9	Very low	81 Å²	81	153 Å²	153	84%	0.835	78%	0.776	S	S	*	*			trans	-175.8	146.3	160.1	0	0	0	0	0	116.8
157	Q	22.1	Very low	23.8	Very low	189 Å²	189	152.7 Å²	152.7	88%	0.883	78%	0.776	S	S	*	*			trans	-86.1	154.2	178.8	-79.3	163	-53.5	0	0	112.4
158	V	21.1	Very low	23.6	Very low	131 Å²	131	145.8 Å²	145.8	79%	0.794	77%	0.772	S	S	*	*				62.3	133.5	65	-175.6	0	0	0	0	112.9
159	T	20.5	Very low	23.5	Very low	124 Å²	124	148.7 Å²	148.7	76%	0.761	78%	0.781	S	S	*	*			cis	-88.9	-175.5	13.6	44.7	0	0	0	0	115.9
160	V	22.3	Very low	23.3	Very low	124 Å²	124	155.1 Å²	155.1	75%	0.752	79%	0.792	S	S	*	*			cis	95.1	147	9.3	-171.9	0	0	0	0	117.4
161	E	19.9	Very low	23.2	Very low	176 Å²	176	149 Å²	149	82%	0.822	78%	0.782	S	S	*	*			trans	90.8	132.5	-176	-57.8	-160.8	163.3	0	0	117.5
162	E	22.4	Very low	23.2	Very low	155 Å²	155	150.7 Å²	150.7	72%	0.724	79%	0.793	S	S	*	*			cis	139	148.2	-19.1	-163.8	-166.9	-124.3	0	0	110.7
163	K	23	Very low	22.9	Very low	156 Å²	156	150.3 Å²	150.3	68%	0.678	79%	0.787	S	S	*	*			trans	87.1	145	166.1	-53	173.3	-163	165.4	0	117.7
164	I	22.4	Very low	22.6	Very low	148 Å²	148	154.2 Å²	154.2	76%	0.759	80%	0.797	S	S	*	*			cis	-154.2	161.6	-18.3	-116.6	163.2	0	0	0	110.4
165	T	26.9	Very low	22.7	Very low	120 Å²	120	155.1 Å²	155.1	74%	0.736	80%	0.802	S	S	*	*			trans	-61.3	171.6	172.8	25.6	0	0	0	0	114.2
166	P	32.5	Very low	22.9	Very low	112 Å²	112	151.6 Å²	151.6	73%	0.727	79%	0.793	S	S	*	*			cis	-162	178.8	48.9	47.6	-24.8	0	0	0	122.1
167	M	21.5	Very low	23	Very low	182 Å²	182	156.7 Å²	156.7	90%	0.897	79%	0.792	S	S	*	*			trans	64.8	135.3	160.5	-51	-149.6	73.5	0	0	119.7
168	G	21.7	Very low	23.1	Very low	69 Å²	69	150.7 Å²	150.7	71%	0.711	78%	0.781	S	S	*	*			cis	157.6	141	-15	0	0	0	0	0	114.9
169	E	21.3	Very low	23.2	Very low	204 Å²	204	150.4 Å²	150.4	95%	0.953	78%	0.775	S	S	*	*			trans	-150.8	174.3	157.5	-134.8	172.7	-149.3	0	0	111.3
170	R	22.2	Very low	23.5	Very low	250 Å²	250	149.9 Å²	149.9	94%	0.943	78%	0.777	S	S	*	*			trans	-112.4	114.3	-151.3	-165.7	-175.3	-155.4	158.9	4.7	113.7
171	S	21.1	Very low	23.6	Very low	87 Å²	87	151.5 Å²	151.5	61%	0.608	77%	0.774	S	S	*	*			trans	-131.9	155.9	163.7	61.6	0	0	0	0	111	K173	S171-K173 PolarHBondContact O-N 3.19Å
172	E	23.1	Very low	24.1	Very low	200 Å²	200	149.8 Å²	149.8	94%	0.935	78%	0.776	S	S	*	*			trans	-76.3	116.8	-174.4	-60.6	-178.4	144.5	0	0	111
173	K	21.5	Very low	24.5	Very low	166 Å²	166	146 Å²	146	72%	0.722	76%	0.763	S	S	*	*			trans	-104.2	122.5	-174.8	-62.6	-174.9	-177.9	-176.5	0	111.6	S171	S171-K173 PolarHBondContact O-N 3.19Å
174	Y	20.4	Very low	24.7	Very low	228 Å²	228	145.6 Å²	145.6	89%	0.894	77%	0.768	S	S	*	*	P	Polyproline II helix	trans	-74.3	127.4	152	-85.7	-100.8	0	0	0	107.6
175	N	25.4	Very low	25.1	Very low	145 Å²	145	141.7 Å²	141.7	78%	0.775	75%	0.754	S	S	*	*	P	Polyproline II helix	trans	-78.1	136.1	-172.1	-75.8	-16.9	0	0	0	112.7
176	D	27.1	Very low	25.3	Very low	137 Å²	137	140.4 Å²	140.4	73%	0.733	74%	0.742	S	S	*	*	P	Polyproline II helix	trans	-71.4	141.2	172.8	-178.8	16.1	0	0	0	111.3	G178	D176-G178 PolarHBondContact OD1-N 3.28Å
177	F	23.9	Very low	25.2	Very low	187 Å²	187	140.9 Å²	140.9	82%	0.82	74%	0.738	S	S	*	*			trans	-150.5	72.3	162.4	-99.8	-75.2	0	0	0	107.8	N179	F177-N179 PolarHBondContact O-N 3.31Å
178	G	25.4	Very low	25.8	Very low	64 Å²	64	137.7 Å²	137.7	66%	0.66	72%	0.723	S	S	*	*			trans	-55.3	133.7	-178.4	0	0	0	0	0	113.6	D176	D176-G178 PolarHBondContact OD1-N 3.28Å
179	N	23.1	Very low	26.5	Very low	125 Å²	125	137.6 Å²	137.6	67%	0.668	71%	0.712	S	S	*	*			trans	-127.8	112.8	156.3	-138.7	11.8	0	0	0	106.5	F177 F181	F177-N179 PolarHBondContact O-N 3.31Å; N179-F181 HydrophobicContact CB-CE2 4.48Å; N179-F181 PolarHBondContact O-N 3.13Å
180	S	27	Very low	26.9	Very low	113 Å²	113	136 Å²	136	79%	0.79	70%	0.704	S	S	*	*			trans	-68.4	119.7	-174.3	-175.2	0	0	0	0	110.9
181	F	23	Very low	27.3	Very low	157 Å²	157	130.1 Å²	130.1	69%	0.689	69%	0.687	S	S	*	*			trans	-131.7	119.9	163.5	-75.9	-81.4	0	0	0	108.4	N179 V183	N179-F181 HydrophobicContact CB-CE2 4.48Å; N179-F181 PolarHBondContact O-N 3.13Å; F181-V183 VanDerWaalsContact C-N 3.28Å; F181-V183 HydrophobicContact CB-CG2 4.34Å; F181-V183 PolarHBondContact O-N 3.49Å
182	T	31.6	Very low	28.2	Very low	141 Å²	141	137.5 Å²	137.5	87%	0.865	70%	0.702	S	S	*	*			trans	-71.7	80.7	175.7	31.9	0	0	0	0	110.8
183	V	29.4	Very low	28.9	Very low	74 Å²	74	133.1 Å²	133.1	45%	0.448	68%	0.684	S	S	.	*			trans	-130.5	71.5	176.2	-172.6	0	0	0	0	109.1	F181 S185	F181-V183 VanDerWaalsContact C-N 3.28Å; F181-V183 HydrophobicContact CB-CG2 4.34Å; F181-V183 PolarHBondContact O-N 3.49Å; V183-S185 WeakPolarHBondContact CG1-OG 3.43Å; V183-S185 PolarHBondContact O-N 2.85Å
184	N	27.7	Very low	29.9	Very low	149 Å²	149	130 Å²	130	80%	0.797	68%	0.681	S	S	*	*	T	Hydrogen-bonded Turn	trans	-73.7	31.3	179.5	-79.8	5.3	0	0	0	114
185	S	31	Very low	31.2	Very low	65 Å²	65	126.9 Å²	126.9	46%	0.455	69%	0.686	S	S	.	*	T	Hydrogen-bonded Turn	trans	-107.8	-7.5	171.4	57.2	0	0	0	0	113.7	V183	V183-S185 WeakPolarHBondContact CG1-OG 3.43Å; V183-S185 PolarHBondContact O-N 2.85Å
186	N	31.3	Very low	32.3	Very low	93 Å²	93	122.8 Å²	122.8	50%	0.497	68%	0.677	S	S	.	*	S	Bend	trans	-116.3	-3.5	-177.3	-74.6	-47.6	0	0	0	115	I188 S189	N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 PolarHBondContact O-N 3.1Å; N186-S189 PolarHBondContact O-N 2.97Å; N186-S189 PolarHBondContact O-OG 3.4Å
187	L	30.7	Very low	33.6	Very low	122 Å²	122	122.7 Å²	122.7	64%	0.639	68%	0.677	S	S	*	*	G	3₁₀ helix	trans	-67	-29.8	-171.1	-157	68.7	0	0	0	113.4	S189	L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.02Å
188	I	33.9	Very low	35.6	Very low	115 Å²	115	120.6 Å²	120.6	59%	0.59	66%	0.663	S	S	*	*	G	3₁₀ helix	trans	-71.7	-23.9	178.7	-61.3	173.3	0	0	0	112.1	N186 H190 L193	N186-I188 VanDerWaalsContact C-N 3.29Å; N186-I188 PolarHBondContact O-N 3.1Å; I188-H190 VanDerWaalsContact C-N 3.31Å; I188-H190 PolarHBondContact O-N 3.3Å; I188-L193 HydrophobicContact CG2-CD1 4.44Å
189	S	35.6	Very low	37.7	Very low	67 Å²	67	121.9 Å²	121.9	47%	0.469	66%	0.66	S	S	.	*	G	3₁₀ helix	trans	-77.3	-14.6	-177	69.5	0	0	0	0	114.4	N186 L187	N186-S189 PolarHBondContact O-N 2.97Å; N186-S189 PolarHBondContact O-OG 3.4Å; L187-S189 VanDerWaalsContact C-N 3.33Å; L187-S189 PolarHBondContact O-N 3.02Å
190	H	29.7	Very low	40.3	Very low	170 Å²	170	118.4 Å²	118.4	79%	0.787	64%	0.64	S	S	*	*	T	Hydrogen-bonded Turn	trans	-111.8	-10.2	-178.3	-83.8	-72.4	0	0	0	115	I188	I188-H190 VanDerWaalsContact C-N 3.31Å; I188-H190 PolarHBondContact O-N 3.3Å
191	Q	31.8	Very low	42.8	Very low	127 Å²	127	119.5 Å²	119.5	59%	0.593	63%	0.63	S	S	*	*	S	Bend	trans	-70.4	129.8	161.8	-73.5	-175.8	-16.8	0	0	109.2	L193	Q191-L193 PolarHBondContact O-N 3.27Å
192	R	38.8	Very low	45.8	Very low	242 Å²	242	112.5 Å²	112.5	91%	0.913	60%	0.601	S	S	*	*			trans	-75.9	78.9	172.8	-69.7	-177.2	-179.3	172.9	0.9	109.4
193	L	38.7	Very low	48.1	Very low	108 Å²	108	113 Å²	113	57%	0.565	60%	0.598	S	S	*	*			trans	-54	147.6	165.2	-65.7	176.2	0	0	0	109.7	I188 Q191	I188-L193 HydrophobicContact CG2-CD1 4.44Å; Q191-L193 PolarHBondContact O-N 3.27Å
194	P	42	Very low	50.5	Low	101 Å²	101	115 Å²	115	66%	0.656	60%	0.602	S	S	*	*			trans	-53.9	157.9	-177	-28.1	36.3	0	0	0	114.1	G196	P194-G196 PolarHBondContact O-N 2.92Å
195	V	47.1	Very low	53.1	Low	163 Å²	163	109.4 Å²	109.4	99%	0.988	58%	0.575	S	S	*	*	S	Bend	trans	-76.7	77.6	178.6	-174	0	0	0	0	109.8
196	G	48.6	Very low	55.4	Low	58 Å²	58	112.6 Å²	112.6	60%	0.598	60%	0.597	S	S	*	*	S	Bend	trans	-149.2	-62.7	174.2	0	0	0	0	0	111	P194 R198	P194-G196 PolarHBondContact O-N 2.92Å; G196-R198 VanDerWaalsContact C-N 3.33Å; G196-R198 PolarHBondContact O-N 3.45Å
197	D	56.2	Low	57.5	Low	135 Å²	135	113.5 Å²	113.5	72%	0.722	60%	0.597	S	S	*	*			trans	-86.5	67.8	-164.3	-51.2	-51.1	0	0	0	113.4
198	R	65.4	Low	59.8	Low	143 Å²	143	109.2 Å²	109.2	54%	0.54	58%	0.577	S	S	.	*			trans	-125.4	78.4	165.9	-61.1	-161.6	-168.4	-179.8	2.8	109.8	G196 H200 S208 F209	G196-R198 VanDerWaalsContact C-N 3.33Å; G196-R198 PolarHBondContact O-N 3.45Å; R198-H200 VanDerWaalsContact C-N 3.3Å; R198-H200 PolarHBondContact O-N 2.92Å; R198-S208 WeakPolarHBondContact CD-O 3.45Å; R198-S208 PolarHBondContact NH1-O 3.29Å; R198-F209 CarbonylContact C-O 3.13Å
199	P	70.1	Confident	61.9	Low	92 Å²	92	105.6 Å²	105.6	60%	0.597	56%	0.557	S	S	*	*			trans	-65.7	-31	-169.6	23.9	-32.8	0	0	0	113.1	K201	P199-K201 PolarHBondContact O-N 3.41Å
200	H	77.3	Confident	63.6	Low	51 Å²	51	106.4 Å²	106.4	24%	0.236	56%	0.556	C	S	.	*	E	Extended strand (participates in β ladder)	trans	-87.9	92	-175.3	-51.5	-64.6	0	0	0	110.6	R198 S208 F209 T212 L215	R198-H200 VanDerWaalsContact C-N 3.3Å; R198-H200 PolarHBondContact O-N 2.92Å; H200-S208 CarbonylContact O-C 3.51Å; H200-S208 WeakPolarHBondContact O-CA 3.09Å; H200-F209 HydrophobicContact CB-CB 4.33Å; H200-F209 PolarHBondContact N-O 3.49Å; H200-F209 PolarHBondContact O-N 3.17Å; H200-T212 PolarHBondContact CD2-N 2.96Å; H200-T212 VanDerWaalsContact CD2-N 3.33Å; H200-T212 PolarHBondContact CE1-OG1 3.12Å; H200-T212 PolarHBondContact ND1-OG1 3.33Å; H200-T212 PolarHBondContact NE2-OG1 3.05Å; H200-L215 HydrophobicContact CB-CB 4.01Å; H200-L215 HydrophobicContact CB-CD2 3.83Å
201	K	79.7	Confident	65.7	Low	137 Å²	137	104.6 Å²	104.6	60%	0.596	54%	0.542	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-88.2	149.3	178.2	-53.8	-171.4	179.7	172.9	0	110.5	P199 L215	P199-K201 PolarHBondContact O-N 3.41Å; K201-L215 VanDerWaalsContact O-CD2 3.28Å; K201-L215 WeakPolarHBondContact O-CD2 3.41Å
202	C	84.4	Confident	67.6	Low	10 Å²	10	102 Å²	102	7%	0.068	54%	0.535	C	S	.	.			trans	-91.9	133.5	168.6	-176.4	0	0	0	0	109.2	C205 K207 L215	C202-C205 CarbonylContact C-O 3.44Å; C202-C205 WeakPolarHBondContact CB-O 3.33Å; C202-K207 PolarHBondContact N-O 3.39Å; C202-L215 HydrophobicContact CB-CD1 3.73Å
203	D	79.9	Confident	69.2	Low	150 Å²	150	92.7 Å²	92.7	80%	0.802	51%	0.507	S	S	*	.	S	Bend	trans	-79.1	-26.6	-179.6	-51.9	-68.3	0	0	0	112.1
204	E	79.6	Confident	70.9	Confident	116 Å²	116	90 Å²	90	54%	0.542	49%	0.493	S	S	.	.	S	Bend	trans	-85.2	-18.1	-179.3	-64.3	-176.3	-98	0	0	113.7	H222	E204-H222 VanDerWaalsContact OE1-CB 3.32Å; E204-H222 WeakPolarHBondContact OE1-CB 3.47Å; E204-H222 IonicContact OE1-CD2 3.45Å; E204-H222 IonicContact OE1-CG 3.8Å; E204-H222 WeakPolarHBondContact OE2-CB 3.16Å; E204-H222 IonicContact OE2-CG 3.43Å
205	C	83.6	Confident	72.6	Confident	32 Å²	32	86 Å²	86	22%	0.216	47%	0.466	C	S	.	.	S	Bend	trans	-155.5	154.1	169.4	78.8	0	0	0	0	112.5	C202 K207 H218 H222	C202-C205 CarbonylContact C-O 3.44Å; C202-C205 WeakPolarHBondContact CB-O 3.33Å; C205-K207 PolarHBondContact O-N 2.71Å; C205-H218 PolarHBondContact SG-NE2 3.19Å; C205-H222 VanDerWaalsContact CB-NE2 3.3Å; C205-H222 WeakPolarHBondContact CB-NE2 3.38Å; C205-H222 PolarHBondContact SG-NE2 3.21Å
206	S	78.8	Confident	74.1	Confident	133 Å²	133	82 Å²	82	93%	0.93	44%	0.439	S	S	*	.	S	Bend	trans	-68.2	30.4	-173.1	-36.5	0	0	0	0	116.4
207	K	76.2	Confident	75.4	Confident	111 Å²	111	82.9 Å²	82.9	48%	0.483	43%	0.427	S	S	.	.			trans	-89.3	149.3	172.1	-68.2	178.2	-175.5	170.7	0	110.6	C202 C205 F209	C202-K207 PolarHBondContact N-O 3.39Å; C205-K207 PolarHBondContact O-N 2.71Å; K207-F209 HydrophobicContact CB-CE2 3.73Å; K207-F209 HydrophobicContact CB-CZ 3.88Å; K207-F209 HydrophobicContact CD-CZ 4.32Å
208	S	77.8	Confident	76.5	Confident	32 Å²	32	76.9 Å²	76.9	22%	0.224	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.4	143.5	177.5	-44.8	0	0	0	0	109.7	R198 H200	R198-S208 WeakPolarHBondContact CD-O 3.45Å; R198-S208 PolarHBondContact NH1-O 3.29Å; H200-S208 CarbonylContact O-C 3.51Å; H200-S208 WeakPolarHBondContact O-CA 3.09Å
209	F	77.9	Confident	77.1	Confident	40 Å²	40	73 Å²	73	18%	0.175	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.2	153.9	-169.5	-57.6	-92	0	0	0	110.1	R198 H200 K207 D214 L215 H218	R198-F209 CarbonylContact C-O 3.13Å; H200-F209 HydrophobicContact CB-CB 4.33Å; H200-F209 PolarHBondContact N-O 3.49Å; H200-F209 PolarHBondContact O-N 3.17Å; K207-F209 HydrophobicContact CB-CE2 3.73Å; K207-F209 HydrophobicContact CB-CZ 3.88Å; K207-F209 HydrophobicContact CD-CZ 4.32Å; F209-D214 HydrophobicContact CB-CB 4.26Å; F209-D214 HydrophobicContact CD1-CB 3.92Å; F209-D214 HydrophobicContact CG-CB 4.38Å; F209-L215 HydrophobicContact CB-CB 4.4Å; F209-L215 HydrophobicContact CD2-CB 4.07Å; F209-L215 HydrophobicContact CD2-CD1 3.94Å; F209-L215 HydrophobicContact CE2-CD1 4.16Å; F209-L215 HydrophobicContact CG-CB 4.36Å; F209-H218 HydrophobicContact CE1-CB 4Å; F209-H218 HydrophobicContact CE2-CB 4.02Å; F209-H218 AromaticContact CE2-CD2 3.24Å; F209-H218 WeakPolarHBondContact CE2-CD2 3.29Å; F209-H218 AromaticContact CE2-CG 3.81Å; F209-H218 HydrophobicContact CZ-CB 3.54Å; F209-H218 AromaticContact CZ-CD2 3.24Å; F209-H218 WeakPolarHBondContact CZ-CD2 3.36Å; F209-H218 AromaticContact CZ-CG 3.37Å
210	N	71.4	Confident	77.8	Confident	83 Å²	83	71.1 Å²	71.1	44%	0.444	36%	0.364	S	S	.	.	S	Bend	trans	-88.7	-6.8	176.7	59.5	-38.7	0	0	0	113.1
211	R	73.6	Confident	78	Confident	133 Å²	133	74.2 Å²	74.2	50%	0.502	38%	0.381	S	S	.	.	S	Bend	trans	-139.7	144.4	176.5	-61.5	176.9	171.1	164.2	-3.8	111.4	S213 D214 L215	R211-S213 VanDerWaalsContact C-N 3.3Å; R211-S213 PolarHBondContact O-N 3.33Å; R211-D214 HydrophobicContact CB-CB 4.41Å; R211-D214 WeakPolarHBondContact CB-OD2 3.41Å; R211-D214 PolarHBondContact O-N 3.38Å; R211-L215 PolarHBondContact O-N 2.66Å
212	T	71.8	Confident	78.2	Confident	72 Å²	72	71.8 Å²	71.8	44%	0.442	37%	0.371	S	S	.	.	H	α-helix	trans	-60.4	-38.4	174.5	-47.5	0	0	0	0	112.2	H200 D214 L215 I216	H200-T212 PolarHBondContact CD2-N 2.96Å; H200-T212 VanDerWaalsContact CD2-N 3.33Å; H200-T212 PolarHBondContact CE1-OG1 3.12Å; H200-T212 PolarHBondContact ND1-OG1 3.33Å; H200-T212 PolarHBondContact NE2-OG1 3.05Å; T212-D214 VanDerWaalsContact C-N 3.34Å; T212-D214 PolarHBondContact O-N 3.48Å; T212-L215 PolarHBondContact O-N 2.81Å; T212-I216 HydrophobicContact CG2-CD1 3.94Å; T212-I216 HydrophobicContact CG2-CG1 4.43Å; T212-I216 WeakPolarHBondContact O-CG1 3.4Å; T212-I216 PolarHBondContact O-N 3.11Å
213	S	73.1	Confident	78.1	Confident	47 Å²	47	75 Å²	75	33%	0.329	39%	0.391	S	S	.	.	H	α-helix	trans	-63.3	-37.9	178.9	47.5	0	0	0	0	112.7	R211 I216 Q217	R211-S213 VanDerWaalsContact C-N 3.3Å; R211-S213 PolarHBondContact O-N 3.33Å; S213-I216 PolarHBondContact O-N 2.8Å; S213-Q217 VanDerWaalsContact O-CB 3.29Å; S213-Q217 WeakPolarHBondContact O-CB 3.23Å; S213-Q217 PolarHBondContact O-N 3.43Å
214	D	75.6	Confident	78.2	Confident	51 Å²	51	69.9 Å²	69.9	27%	0.273	37%	0.374	S	S	.	.	H	α-helix	trans	-70	-35.7	175.1	-67.3	-44.6	0	0	0	111.9	F209 R211 T212 H218	F209-D214 HydrophobicContact CB-CB 4.26Å; F209-D214 HydrophobicContact CD1-CB 3.92Å; F209-D214 HydrophobicContact CG-CB 4.38Å; R211-D214 HydrophobicContact CB-CB 4.41Å; R211-D214 WeakPolarHBondContact CB-OD2 3.41Å; R211-D214 PolarHBondContact O-N 3.38Å; T212-D214 VanDerWaalsContact C-N 3.34Å; T212-D214 PolarHBondContact O-N 3.48Å; D214-H218 VanDerWaalsContact O-CB 3.3Å; D214-H218 WeakPolarHBondContact O-CB 3.38Å; D214-H218 PolarHBondContact O-N 3.31Å
215	L	77	Confident	78.4	Confident	17 Å²	17	69.5 Å²	69.5	9%	0.089	37%	0.372	C	S	.	.	H	α-helix	trans	-64.6	-47.8	171	173.3	61.9	0	0	0	111.7	H200 K201 C202 F209 R211 T212 Q217 H218 Q219	H200-L215 HydrophobicContact CB-CB 4.01Å; H200-L215 HydrophobicContact CB-CD2 3.83Å; K201-L215 VanDerWaalsContact O-CD2 3.28Å; K201-L215 WeakPolarHBondContact O-CD2 3.41Å; C202-L215 HydrophobicContact CB-CD1 3.73Å; F209-L215 HydrophobicContact CB-CB 4.4Å; F209-L215 HydrophobicContact CD2-CB 4.07Å; F209-L215 HydrophobicContact CD2-CD1 3.94Å; F209-L215 HydrophobicContact CE2-CD1 4.16Å; F209-L215 HydrophobicContact CG-CB 4.36Å; R211-L215 PolarHBondContact O-N 2.66Å; T212-L215 PolarHBondContact O-N 2.81Å; L215-Q217 VanDerWaalsContact C-N 3.32Å; L215-Q217 PolarHBondContact O-N 2.98Å; L215-H218 CarbonylContact O-C 3.56Å; L215-H218 WeakPolarHBondContact O-CA 3.24Å; L215-H218 WeakPolarHBondContact O-CB 3.45Å; L215-H218 PolarHBondContact O-N 3.1Å; L215-Q219 HydrophobicContact CD1-CG 4.2Å; L215-Q219 WeakPolarHBondContact O-CG 3.46Å; L215-Q219 PolarHBondContact O-N 3.38Å
216	I	77.4	Confident	78.6	Confident	80 Å²	80	73.9 Å²	73.9	41%	0.41	39%	0.387	S	S	.	.	H	α-helix	trans	-60.9	-43.1	177.8	-69.5	167.4	0	0	0	110.5	T212 S213 H218 Q219 R220	T212-I216 HydrophobicContact CG2-CD1 3.94Å; T212-I216 HydrophobicContact CG2-CG1 4.43Å; T212-I216 WeakPolarHBondContact O-CG1 3.4Å; T212-I216 PolarHBondContact O-N 3.11Å; S213-I216 PolarHBondContact O-N 2.8Å; I216-H218 VanDerWaalsContact C-N 3.28Å; I216-H218 PolarHBondContact O-N 3.41Å; I216-Q219 PolarHBondContact O-N 3.15Å; I216-R220 PolarHBondContact O-N 3.43Å
217	Q	77.2	Confident	78.8	Confident	75 Å²	75	71 Å²	71	35%	0.35	37%	0.366	S	S	.	.	H	α-helix	trans	-62.7	-35.9	174.8	-168.6	-166.9	109.3	0	0	111.8	S213 L215 Q239	S213-Q217 VanDerWaalsContact O-CB 3.29Å; S213-Q217 WeakPolarHBondContact O-CB 3.23Å; S213-Q217 PolarHBondContact O-N 3.43Å; L215-Q217 VanDerWaalsContact C-N 3.32Å; L215-Q217 PolarHBondContact O-N 2.98Å; Q217-Q239 VanDerWaalsContact CD-NE2 3.3Å; Q217-Q239 HydrophobicContact CG-CG 4.15Å
218	H	79.6	Confident	79.3	Confident	10 Å²	10	69.5 Å²	69.5	5%	0.046	36%	0.357	C	S	.	.	H	α-helix	trans	-70.5	-40.5	175.5	172.2	38.1	0	0	0	113	C205 F209 D214 L215 I216 R220 I221	C205-H218 PolarHBondContact SG-NE2 3.19Å; F209-H218 HydrophobicContact CE1-CB 4Å; F209-H218 HydrophobicContact CE2-CB 4.02Å; F209-H218 AromaticContact CE2-CD2 3.24Å; F209-H218 WeakPolarHBondContact CE2-CD2 3.29Å; F209-H218 AromaticContact CE2-CG 3.81Å; F209-H218 HydrophobicContact CZ-CB 3.54Å; F209-H218 AromaticContact CZ-CD2 3.24Å; F209-H218 WeakPolarHBondContact CZ-CD2 3.36Å; F209-H218 AromaticContact CZ-CG 3.37Å; D214-H218 VanDerWaalsContact O-CB 3.3Å; D214-H218 WeakPolarHBondContact O-CB 3.38Å; D214-H218 PolarHBondContact O-N 3.31Å; L215-H218 CarbonylContact O-C 3.56Å; L215-H218 WeakPolarHBondContact O-CA 3.24Å; L215-H218 WeakPolarHBondContact O-CB 3.45Å; L215-H218 PolarHBondContact O-N 3.1Å; I216-H218 VanDerWaalsContact C-N 3.28Å; I216-H218 PolarHBondContact O-N 3.41Å; H218-R220 PolarHBondContact O-N 3.06Å; H218-I221 WeakPolarHBondContact O-CB 3.28Å; H218-I221 WeakPolarHBondContact O-CG1 3.39Å; H218-I221 PolarHBondContact O-N 3.25Å
219	Q	78	Confident	79.7	Confident	60 Å²	60	73.4 Å²	73.4	28%	0.28	37%	0.372	S	S	.	.	H	α-helix	trans	-57.5	-32.7	178.4	-76.5	168.7	-36.5	0	0	112.2	L215 I216 I221 H222 T223	L215-Q219 HydrophobicContact CD1-CG 4.2Å; L215-Q219 WeakPolarHBondContact O-CG 3.46Å; L215-Q219 PolarHBondContact O-N 3.38Å; I216-Q219 PolarHBondContact O-N 3.15Å; Q219-I221 PolarHBondContact O-N 2.91Å; Q219-H222 PolarHBondContact O-N 3.03Å; Q219-T223 PolarHBondContact O-N 3.45Å; Q219-T223 PolarHBondContact O-OG1 3.34Å
220	R	84.4	Confident	80.3	Confident	53 Å²	53	71.5 Å²	71.5	20%	0.2	36%	0.364	C	S	.	.	T	Hydrogen-bonded Turn	trans	-57.9	-16.3	171.6	-62.3	-179	-176.4	161.8	5.9	114.7	I216 H218 T223 G224 E225 S238	I216-R220 PolarHBondContact O-N 3.43Å; H218-R220 PolarHBondContact O-N 3.06Å; R220-T223 WeakPolarHBondContact CA-OG1 3.44Å; R220-G224 CarbonylContact O-C 3.58Å; R220-G224 WeakPolarHBondContact O-CA 3.18Å; R220-G224 PolarHBondContact O-N 2.85Å; R220-G224 VanDerWaalsContact O-N 3.15Å; R220-E225 HydrophobicContact CB-CB 4.27Å; R220-E225 HydrophobicContact CG-CB 4.05Å; R220-E225 PolarHBondContact O-N 3.2Å; R220-S238 PolarHBondContact NH1-O 3.5Å
221	I	82.1	Confident	81.1	Confident	117 Å²	117	75.2 Å²	75.2	60%	0.6	38%	0.383	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.8	-33.4	173.3	-57.1	-178.9	0	0	0	111	H218 Q219	H218-I221 WeakPolarHBondContact O-CB 3.28Å; H218-I221 WeakPolarHBondContact O-CG1 3.39Å; H218-I221 PolarHBondContact O-N 3.25Å; Q219-I221 PolarHBondContact O-N 2.91Å
222	H	82.1	Confident	81.7	Confident	85 Å²	85	74.7 Å²	74.7	39%	0.394	39%	0.387	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.8	-48.9	178.9	-55.4	-62.8	0	0	0	111.6	E204 C205 Q219 G224	E204-H222 VanDerWaalsContact OE1-CB 3.32Å; E204-H222 WeakPolarHBondContact OE1-CB 3.47Å; E204-H222 IonicContact OE1-CD2 3.45Å; E204-H222 IonicContact OE1-CG 3.8Å; E204-H222 WeakPolarHBondContact OE2-CB 3.16Å; E204-H222 IonicContact OE2-CG 3.43Å; C205-H222 VanDerWaalsContact CB-NE2 3.3Å; C205-H222 WeakPolarHBondContact CB-NE2 3.38Å; C205-H222 PolarHBondContact SG-NE2 3.21Å; Q219-H222 PolarHBondContact O-N 3.03Å; H222-G224 PolarHBondContact O-N 2.88Å
223	T	83.1	Confident	82.6	Confident	79 Å²	79	73.7 Å²	73.7	49%	0.485	38%	0.382	S	S	.	.	S	Bend	trans	-69	-17.9	176.7	64.9	0	0	0	0	113.1	Q219 R220 E225	Q219-T223 PolarHBondContact O-N 3.45Å; Q219-T223 PolarHBondContact O-OG1 3.34Å; R220-T223 WeakPolarHBondContact CA-OG1 3.44Å; T223-E225 PolarHBondContact O-N 2.81Å; T223-E225 WeakPolarHBondContact OG1-CG 3.42Å; T223-E225 PolarHBondContact OG1-N 2.91Å
224	G	82.4	Confident	83.2	Confident	42 Å²	42	73.6 Å²	73.6	43%	0.433	39%	0.389	S	S	.	.			trans	73.4	5.3	-176.5	0	0	0	0	0	114.4	R220 H222 K226	R220-G224 CarbonylContact O-C 3.58Å; R220-G224 WeakPolarHBondContact O-CA 3.18Å; R220-G224 PolarHBondContact O-N 2.85Å; R220-G224 VanDerWaalsContact O-N 3.15Å; H222-G224 PolarHBondContact O-N 2.88Å; G224-K226 PolarHBondContact O-N 2.99Å
225	E	84.1	Confident	83.8	Confident	107 Å²	107	76.7 Å²	76.7	50%	0.5	40%	0.4	S	S	.	.			trans	-57.1	132.1	-175.9	-83.4	-179	-175.2	0	0	113.4	R220 T223 S238	R220-E225 HydrophobicContact CB-CB 4.27Å; R220-E225 HydrophobicContact CG-CB 4.05Å; R220-E225 PolarHBondContact O-N 3.2Å; T223-E225 PolarHBondContact O-N 2.81Å; T223-E225 WeakPolarHBondContact OG1-CG 3.42Å; T223-E225 PolarHBondContact OG1-N 2.91Å; E225-S238 WeakPolarHBondContact O-CB 3.35Å
226	K	87.3	Confident	84.4	Confident	125 Å²	125	77.5 Å²	77.5	54%	0.543	41%	0.409	S	S	.	.			trans	-133.9	77	-179	-73.1	158.8	-179.7	174.5	0	110.6	G224 Y228 A236 F237	G224-K226 PolarHBondContact O-N 2.99Å; K226-Y228 PolarHBondContact O-N 3.29Å; K226-Y228 VanDerWaalsContact O-N 3.11Å; K226-A236 HydrophobicContact CB-CB 3.56Å; K226-A236 HydrophobicContact CD-CB 4.34Å; K226-A236 WeakPolarHBondContact CD-O 3.42Å; K226-A236 HydrophobicContact CG-CB 4.49Å; K226-F237 CarbonylContact C-O 3.55Å; K226-F237 WeakPolarHBondContact CA-O 3.44Å
227	P	83.7	Confident	84.6	Confident	73 Å²	73	75.9 Å²	75.9	47%	0.474	40%	0.399	S	S	.	.			trans	-67.8	-10.1	-172.4	-22	35.1	0	0	0	115.5
228	Y	84.9	Confident	84.8	Confident	78 Å²	78	73.9 Å²	73.9	31%	0.306	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	94.5	-171.6	-51.8	-77.8	0	0	0	110.6	K226 A236 F237 S240	K226-Y228 PolarHBondContact O-N 3.29Å; K226-Y228 VanDerWaalsContact O-N 3.11Å; Y228-A236 CarbonylContact O-C 3.59Å; Y228-A236 WeakPolarHBondContact O-CA 3.37Å; Y228-F237 WeakPolarHBondContact CD2-O 3.44Å; Y228-F237 PolarHBondContact N-O 3.41Å; Y228-F237 VanDerWaalsContact N-O 3.12Å; Y228-F237 PolarHBondContact O-N 2.83Å; Y228-S240 VanDerWaalsContact CD2-N 3.34Å
229	E	87.1	Confident	84.7	Confident	114 Å²	114	75.4 Å²	75.4	53%	0.533	40%	0.401	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	144.3	-179.2	-166.4	173.1	159.9	0	0	113.5	G234 A236 L243	E229-G234 WeakPolarHBondContact OE1-CA 3.38Å; E229-A236 HydrophobicContact CB-CB 4.38Å; E229-A236 HydrophobicContact CG-CB 4.39Å; E229-L243 WeakPolarHBondContact O-CD2 3.19Å
230	C	89.9	Confident	84.7	Confident	1 Å²	1	75 Å²	75	1%	0.007	41%	0.405	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	102.5	172.1	-174.3	0	0	0	0	111.3	E232 C233 G234 K235 L243	C230-E232 PolarHBondContact O-N 3.04Å; C230-C233 PolarHBondContact O-N 2.72Å; C230-G234 PolarHBondContact O-N 3.2Å; C230-K235 HydrophobicContact CB-CB 4.43Å; C230-K235 VanDerWaalsContact CB-O 3.32Å; C230-K235 WeakPolarHBondContact CB-O 3.34Å; C230-K235 PolarHBondContact N-O 3.11Å; C230-L243 HydrophobicContact CB-CD1 3.58Å
231	N	89.1	Confident	84.4	Confident	160 Å²	160	75.3 Å²	75.3	86%	0.856	41%	0.414	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.6	-22.7	179.9	-60	-9.6	0	0	0	115
232	E	86.2	Confident	84.2	Confident	123 Å²	123	73.2 Å²	73.2	58%	0.575	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-86.3	-19.5	-178.3	-66.3	174.6	-114.6	0	0	113.9	C230 H250	C230-E232 PolarHBondContact O-N 3.04Å; E232-H250 IonicContact OE1-CD2 3.89Å; E232-H250 WeakPolarHBondContact OE2-CB 3.38Å; E232-H250 IonicContact OE2-CD2 3.36Å; E232-H250 IonicContact OE2-CG 3.83Å
233	C	89.6	Confident	84.2	Confident	50 Å²	50	70.2 Å²	70.2	34%	0.338	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-150.4	11	-177.4	73.4	0	0	0	0	116.6	C230 K235 H246 H250	C230-C233 PolarHBondContact O-N 2.72Å; C233-K235 PolarHBondContact O-N 2.84Å; C233-H246 PolarHBondContact SG-NE2 3.41Å; C233-H250 VanDerWaalsContact CB-NE2 3.35Å; C233-H250 WeakPolarHBondContact CB-NE2 3.27Å; C233-H250 PolarHBondContact SG-NE2 3.29Å
234	G	87.1	Confident	83.9	Confident	46 Å²	46	70 Å²	70	47%	0.474	38%	0.384	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.5	12.8	176.9	0	0	0	0	0	115.1	E229 C230 A236	E229-G234 WeakPolarHBondContact OE1-CA 3.38Å; C230-G234 PolarHBondContact O-N 3.2Å; G234-A236 PolarHBondContact O-N 3.47Å
235	K	88	Confident	83.7	Confident	115 Å²	115	71.4 Å²	71.4	50%	0.5	38%	0.379	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-84.3	116	-179.2	-74.2	179.5	-176.1	167.7	0	110.7	C230 C233 F237	C230-K235 HydrophobicContact CB-CB 4.43Å; C230-K235 VanDerWaalsContact CB-O 3.32Å; C230-K235 WeakPolarHBondContact CB-O 3.34Å; C230-K235 PolarHBondContact N-O 3.11Å; C233-K235 PolarHBondContact O-N 2.84Å; K235-F237 HydrophobicContact CB-CE2 3.93Å; K235-F237 HydrophobicContact CB-CZ 4.14Å; K235-F237 WeakPolarHBondContact O-CD2 3.45Å; K235-F237 WeakPolarHBondContact O-CE2 3.24Å
236	A	88.3	Confident	83.6	Confident	34 Å²	34	67.2 Å²	67.2	28%	0.281	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.6	143.2	179.1	0	0	0	0	0	113	K226 Y228 E229 G234	K226-A236 HydrophobicContact CB-CB 3.56Å; K226-A236 HydrophobicContact CD-CB 4.34Å; K226-A236 WeakPolarHBondContact CD-O 3.42Å; K226-A236 HydrophobicContact CG-CB 4.49Å; Y228-A236 CarbonylContact O-C 3.59Å; Y228-A236 WeakPolarHBondContact O-CA 3.37Å; E229-A236 HydrophobicContact CB-CB 4.38Å; E229-A236 HydrophobicContact CG-CB 4.39Å; G234-A236 PolarHBondContact O-N 3.47Å
237	F	82.7	Confident	83.2	Confident	46 Å²	46	64.7 Å²	64.7	20%	0.202	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.1	150.2	-177.2	-59.6	-90.5	0	0	0	111.4	K226 Y228 K235 Q239 H242 L243 H246	K226-F237 CarbonylContact C-O 3.55Å; K226-F237 WeakPolarHBondContact CA-O 3.44Å; Y228-F237 WeakPolarHBondContact CD2-O 3.44Å; Y228-F237 PolarHBondContact N-O 3.41Å; Y228-F237 VanDerWaalsContact N-O 3.12Å; Y228-F237 PolarHBondContact O-N 2.83Å; K235-F237 HydrophobicContact CB-CE2 3.93Å; K235-F237 HydrophobicContact CB-CZ 4.14Å; K235-F237 WeakPolarHBondContact O-CD2 3.45Å; K235-F237 WeakPolarHBondContact O-CE2 3.24Å; F237-Q239 VanDerWaalsContact C-N 3.33Å; F237-H242 HydrophobicContact CB-CB 4.23Å; F237-H242 HydrophobicContact CD1-CB 3.81Å; F237-H242 HydrophobicContact CG-CB 4.23Å; F237-L243 HydrophobicContact CD2-CB 4Å; F237-L243 HydrophobicContact CD2-CD1 3.97Å; F237-L243 HydrophobicContact CE2-CD1 4.14Å; F237-L243 HydrophobicContact CG-CB 4.45Å; F237-H246 HydrophobicContact CE1-CB 4.15Å; F237-H246 HydrophobicContact CE2-CB 3.78Å; F237-H246 AromaticContact CE2-CD2 3.4Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.38Å; F237-H246 AromaticContact CE2-CG 3.65Å; F237-H246 HydrophobicContact CZ-CB 3.47Å; F237-H246 VanDerWaalsContact CZ-CB 3.47Å; F237-H246 AromaticContact CZ-CD2 3.49Å; F237-H246 VanDerWaalsContact CZ-CD2 3.49Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.35Å; F237-H246 AromaticContact CZ-CG 3.31Å; F237-H246 AromaticContact CZ-ND1 3.94Å
238	S	81	Confident	83.3	Confident	33 Å²	33	63.9 Å²	63.9	23%	0.231	34%	0.337	C	S	.	.	S	Bend	trans	-81.8	-9.1	177.1	54.7	0	0	0	0	114.1	R220 E225	R220-S238 PolarHBondContact NH1-O 3.5Å; E225-S238 WeakPolarHBondContact O-CB 3.35Å
239	Q	78.8	Confident	83.2	Confident	43 Å²	43	65.6 Å²	65.6	20%	0.201	35%	0.35	C	S	.	.	S	Bend	trans	-137.8	142.6	177.4	-54.6	178.1	14.9	0	0	110.8	Q217 F237 S241 H242 L243	Q217-Q239 VanDerWaalsContact CD-NE2 3.3Å; Q217-Q239 HydrophobicContact CG-CG 4.15Å; F237-Q239 VanDerWaalsContact C-N 3.33Å; Q239-S241 WeakPolarHBondContact CB-OG 3.32Å; Q239-S241 PolarHBondContact OE1-OG 2.9Å; Q239-S241 VanDerWaalsContact OE1-OG 3.06Å; Q239-H242 VanDerWaalsContact CD-CE1 3.42Å; Q239-H242 PolarHBondContact O-N 3.43Å; Q239-H242 PolarHBondContact OE1-CE1 3.23Å; Q239-L243 PolarHBondContact O-N 3.45Å
240	S	77.7	Confident	83.1	Confident	52 Å²	52	64.2 Å²	64.2	36%	0.364	34%	0.344	S	S	.	.	H	α-helix	trans	-65.6	-36.2	177.5	50.8	0	0	0	0	113	Y228 H242 L243 I244	Y228-S240 VanDerWaalsContact CD2-N 3.34Å; S240-H242 VanDerWaalsContact C-N 3.29Å; S240-H242 PolarHBondContact O-N 3.23Å; S240-L243 PolarHBondContact O-N 2.93Å; S240-L243 VanDerWaalsContact O-N 3.12Å; S240-I244 WeakPolarHBondContact O-CG1 3.3Å; S240-I244 PolarHBondContact O-N 3.44Å
241	S	76.5	Confident	82.8	Confident	58 Å²	58	68.1 Å²	68.1	41%	0.406	37%	0.368	S	S	.	.	H	α-helix	trans	-51.1	-45.7	172.6	52.1	0	0	0	0	112.5	Q239 I244 Q245	Q239-S241 WeakPolarHBondContact CB-OG 3.32Å; Q239-S241 PolarHBondContact OE1-OG 2.9Å; Q239-S241 VanDerWaalsContact OE1-OG 3.06Å; S241-I244 PolarHBondContact O-N 3.47Å; S241-Q245 WeakPolarHBondContact O-CB 3.41Å; S241-Q245 PolarHBondContact O-N 3.07Å
242	H	79.1	Confident	82.5	Confident	74 Å²	74	62.7 Å²	62.7	34%	0.343	35%	0.35	S	S	.	.	H	α-helix	trans	-71.5	-34.4	178.6	-64.3	139.9	0	0	0	112.6	F237 Q239 S240 H246	F237-H242 HydrophobicContact CB-CB 4.23Å; F237-H242 HydrophobicContact CD1-CB 3.81Å; F237-H242 HydrophobicContact CG-CB 4.23Å; Q239-H242 VanDerWaalsContact CD-CE1 3.42Å; Q239-H242 PolarHBondContact O-N 3.43Å; Q239-H242 PolarHBondContact OE1-CE1 3.23Å; S240-H242 VanDerWaalsContact C-N 3.29Å; S240-H242 PolarHBondContact O-N 3.23Å; H242-H246 VanDerWaalsContact O-CB 3.24Å; H242-H246 WeakPolarHBondContact O-CB 3.35Å; H242-H246 PolarHBondContact O-N 3.4Å
243	L	80.8	Confident	82.3	Confident	22 Å²	22	62 Å²	62	12%	0.115	35%	0.347	C	S	.	.	H	α-helix	trans	-64.2	-46.5	171.9	174.3	60.9	0	0	0	111.3	E229 C230 F237 Q239 S240 Q245 H246 Q247	E229-L243 WeakPolarHBondContact O-CD2 3.19Å; C230-L243 HydrophobicContact CB-CD1 3.58Å; F237-L243 HydrophobicContact CD2-CB 4Å; F237-L243 HydrophobicContact CD2-CD1 3.97Å; F237-L243 HydrophobicContact CE2-CD1 4.14Å; F237-L243 HydrophobicContact CG-CB 4.45Å; Q239-L243 PolarHBondContact O-N 3.45Å; S240-L243 PolarHBondContact O-N 2.93Å; S240-L243 VanDerWaalsContact O-N 3.12Å; L243-Q245 VanDerWaalsContact C-N 3.33Å; L243-Q245 PolarHBondContact O-N 2.9Å; L243-H246 WeakPolarHBondContact O-CA 3.09Å; L243-H246 WeakPolarHBondContact O-CB 3.23Å; L243-H246 PolarHBondContact O-N 3.19Å; L243-Q247 HydrophobicContact CD1-CG 4.25Å; L243-Q247 WeakPolarHBondContact O-CG 3.37Å; L243-Q247 PolarHBondContact O-N 3.27Å
244	I	78.5	Confident	81.9	Confident	74 Å²	74	65.2 Å²	65.2	38%	0.379	36%	0.355	S	S	.	.	H	α-helix	trans	-62.4	-41.3	177.7	-67	161.2	0	0	0	110.8	S240 S241 H246	S240-I244 WeakPolarHBondContact O-CG1 3.3Å; S240-I244 PolarHBondContact O-N 3.44Å; S241-I244 PolarHBondContact O-N 3.47Å; I244-H246 VanDerWaalsContact C-N 3.29Å; I244-H246 PolarHBondContact O-N 3.33Å
245	Q	77.2	Confident	81.6	Confident	72 Å²	72	66.6 Å²	66.6	34%	0.336	36%	0.355	S	S	.	.	H	α-helix	trans	-64.3	-34.9	172.9	-171.2	-173.2	2.1	0	0	112.1	S241 L243 C267	S241-Q245 WeakPolarHBondContact O-CB 3.41Å; S241-Q245 PolarHBondContact O-N 3.07Å; L243-Q245 VanDerWaalsContact C-N 3.33Å; L243-Q245 PolarHBondContact O-N 2.9Å; Q245-C267 PolarHBondContact NE2-SG 3.03Å
246	H	81.4	Confident	81.3	Confident	18 Å²	18	64.8 Å²	64.8	8%	0.083	35%	0.346	C	S	.	.	H	α-helix	trans	-71	-41.5	179	177.3	53.6	0	0	0	113	C233 F237 H242 L243 I244 R248 I249	C233-H246 PolarHBondContact SG-NE2 3.41Å; F237-H246 HydrophobicContact CE1-CB 4.15Å; F237-H246 HydrophobicContact CE2-CB 3.78Å; F237-H246 AromaticContact CE2-CD2 3.4Å; F237-H246 WeakPolarHBondContact CE2-CD2 3.38Å; F237-H246 AromaticContact CE2-CG 3.65Å; F237-H246 HydrophobicContact CZ-CB 3.47Å; F237-H246 VanDerWaalsContact CZ-CB 3.47Å; F237-H246 AromaticContact CZ-CD2 3.49Å; F237-H246 VanDerWaalsContact CZ-CD2 3.49Å; F237-H246 WeakPolarHBondContact CZ-CD2 3.35Å; F237-H246 AromaticContact CZ-CG 3.31Å; F237-H246 AromaticContact CZ-ND1 3.94Å; H242-H246 VanDerWaalsContact O-CB 3.24Å; H242-H246 WeakPolarHBondContact O-CB 3.35Å; H242-H246 PolarHBondContact O-N 3.4Å; L243-H246 WeakPolarHBondContact O-CA 3.09Å; L243-H246 WeakPolarHBondContact O-CB 3.23Å; L243-H246 PolarHBondContact O-N 3.19Å; I244-H246 VanDerWaalsContact C-N 3.29Å; I244-H246 PolarHBondContact O-N 3.33Å; H246-R248 PolarHBondContact O-N 3.34Å; H246-R248 VanDerWaalsContact O-N 3.12Å; H246-I249 VanDerWaalsContact O-CB 3.25Å; H246-I249 WeakPolarHBondContact O-CB 3.46Å; H246-I249 WeakPolarHBondContact O-CG1 3.35Å; H246-I249 PolarHBondContact O-N 3.06Å
247	Q	80.6	Confident	81.2	Confident	72 Å²	72	69 Å²	69	34%	0.336	36%	0.36	S	S	.	.	H	α-helix	trans	-55.7	-30.8	178.4	-75.2	168.5	-39.1	0	0	112.7	L243 I249 H250 T251	L243-Q247 HydrophobicContact CD1-CG 4.25Å; L243-Q247 WeakPolarHBondContact O-CG 3.37Å; L243-Q247 PolarHBondContact O-N 3.27Å; Q247-I249 PolarHBondContact O-N 3.47Å; Q247-I249 VanDerWaalsContact O-N 3.08Å; Q247-H250 PolarHBondContact O-N 3.48Å; Q247-T251 PolarHBondContact O-N 3.38Å; Q247-T251 VanDerWaalsContact O-N 3.13Å
248	R	84.6	Confident	81.4	Confident	56 Å²	56	66.9 Å²	66.9	21%	0.211	35%	0.351	C	S	.	.	H	α-helix	trans	-59.3	-16.9	172.6	-64.3	-175	177.6	151.8	7	114.9	H246 T251 G252 E253 S266	H246-R248 PolarHBondContact O-N 3.34Å; H246-R248 VanDerWaalsContact O-N 3.12Å; R248-T251 WeakPolarHBondContact CA-OG1 3.47Å; R248-G252 CarbonylContact O-C 3.57Å; R248-G252 WeakPolarHBondContact O-CA 3.23Å; R248-G252 PolarHBondContact O-N 3.03Å; R248-G252 VanDerWaalsContact O-N 3.11Å; R248-E253 HydrophobicContact CB-CB 4.31Å; R248-E253 HydrophobicContact CG-CB 4.07Å; R248-E253 PolarHBondContact O-N 2.88Å; R248-S266 WeakPolarHBondContact CD-O 3.45Å; R248-S266 PolarHBondContact NH1-O 2.84Å
249	I	83.8	Confident	81.7	Confident	115 Å²	115	71 Å²	71	59%	0.59	38%	0.38	S	S	*	.	H	α-helix	trans	-73.5	-33.1	173.5	-62.2	179.3	0	0	0	110.8	H246 Q247	H246-I249 VanDerWaalsContact O-CB 3.25Å; H246-I249 WeakPolarHBondContact O-CB 3.46Å; H246-I249 WeakPolarHBondContact O-CG1 3.35Å; H246-I249 PolarHBondContact O-N 3.06Å; Q247-I249 PolarHBondContact O-N 3.47Å; Q247-I249 VanDerWaalsContact O-N 3.08Å
250	H	84.1	Confident	82.1	Confident	84 Å²	84	72.9 Å²	72.9	39%	0.389	39%	0.391	S	S	.	.	H	α-helix	trans	-85.7	-44.9	179.1	-50.7	-52.7	0	0	0	111.9	E232 C233 Q247 G252	E232-H250 IonicContact OE1-CD2 3.89Å; E232-H250 WeakPolarHBondContact OE2-CB 3.38Å; E232-H250 IonicContact OE2-CD2 3.36Å; E232-H250 IonicContact OE2-CG 3.83Å; C233-H250 VanDerWaalsContact CB-NE2 3.35Å; C233-H250 WeakPolarHBondContact CB-NE2 3.27Å; C233-H250 PolarHBondContact SG-NE2 3.29Å; Q247-H250 PolarHBondContact O-N 3.48Å; H250-G252 PolarHBondContact O-N 3.31Å
251	T	84.1	Confident	82.7	Confident	84 Å²	84	72.9 Å²	72.9	52%	0.515	39%	0.39	S	S	.	.	H	α-helix	trans	-71	-16.4	176.1	65.6	0	0	0	0	113.2	Q247 R248 E253	Q247-T251 PolarHBondContact O-N 3.38Å; Q247-T251 VanDerWaalsContact O-N 3.13Å; R248-T251 WeakPolarHBondContact CA-OG1 3.47Å; T251-E253 PolarHBondContact O-N 2.88Å; T251-E253 WeakPolarHBondContact OG1-CG 3.45Å; T251-E253 PolarHBondContact OG1-N 3.12Å
252	G	82.6	Confident	83.2	Confident	46 Å²	46	72 Å²	72	47%	0.474	39%	0.39	S	S	.	.			trans	73.1	3.3	-175.4	0	0	0	0	0	114.4	R248 H250 K254	R248-G252 CarbonylContact O-C 3.57Å; R248-G252 WeakPolarHBondContact O-CA 3.23Å; R248-G252 PolarHBondContact O-N 3.03Å; R248-G252 VanDerWaalsContact O-N 3.11Å; H250-G252 PolarHBondContact O-N 3.31Å; G252-K254 PolarHBondContact O-N 2.89Å
253	E	81.1	Confident	83.6	Confident	109 Å²	109	74.3 Å²	74.3	51%	0.509	40%	0.399	S	S	.	.			trans	-59.2	126.5	-177.3	-80.9	-173.5	175.4	0	0	112.8	R248 T251	R248-E253 HydrophobicContact CB-CB 4.31Å; R248-E253 HydrophobicContact CG-CB 4.07Å; R248-E253 PolarHBondContact O-N 2.88Å; T251-E253 PolarHBondContact O-N 2.88Å; T251-E253 WeakPolarHBondContact OG1-CG 3.45Å; T251-E253 PolarHBondContact OG1-N 3.12Å
254	K	82.8	Confident	83.8	Confident	116 Å²	116	76 Å²	76	50%	0.504	41%	0.411	S	S	.	.			trans	-132	76.5	177.7	-68.9	166.4	-178.9	177	0	110.6	G252 Y256 T264 F265	G252-K254 PolarHBondContact O-N 2.89Å; K254-Y256 PolarHBondContact O-N 3.05Å; K254-Y256 VanDerWaalsContact O-N 3.08Å; K254-T264 WeakPolarHBondContact CD-OG1 3.21Å; K254-F265 CarbonylContact C-O 3.56Å; K254-F265 WeakPolarHBondContact CA-O 3.24Å
255	P	79.7	Confident	83.9	Confident	75 Å²	75	74.6 Å²	74.6	49%	0.487	40%	0.402	S	S	.	.			trans	-68.8	-7.4	-169.8	-21.2	34.7	0	0	0	115.6
256	Y	81.8	Confident	83.9	Confident	78 Å²	78	73 Å²	73	31%	0.306	40%	0.398	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.1	99.6	-172.2	-54.8	-81.9	0	0	0	110.4	K254 T264 F265 C267	K254-Y256 PolarHBondContact O-N 3.05Å; K254-Y256 VanDerWaalsContact O-N 3.08Å; Y256-T264 CarbonylContact O-C 3.58Å; Y256-T264 WeakPolarHBondContact O-CA 3.24Å; Y256-F265 WeakPolarHBondContact CD2-O 3.34Å; Y256-F265 PolarHBondContact N-O 3.46Å; Y256-F265 PolarHBondContact O-N 2.63Å; Y256-C267 VanDerWaalsContact CD2-CA 3.46Å; Y256-C267 VanDerWaalsContact CE2-CA 3.48Å
257	E	86.3	Confident	83.6	Confident	123 Å²	123	73 Å²	73	58%	0.575	40%	0.4	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-91.1	142.3	-179.9	-170	174	159.6	0	0	112.7	T264 L271	E257-T264 HydrophobicContact CB-CG2 4Å; E257-T264 HydrophobicContact CG-CG2 3.92Å; E257-L271 WeakPolarHBondContact O-CD2 3.32Å
258	C	87.5	Confident	83.4	Confident	1 Å²	1	72.2 Å²	72.2	1%	0.007	40%	0.403	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	104.7	172.3	-169.9	0	0	0	0	110.9	D260 C261 G262 K263 F265 L271	C258-D260 PolarHBondContact O-N 3.38Å; C258-C261 PolarHBondContact O-N 3.09Å; C258-G262 PolarHBondContact O-N 3.38Å; C258-K263 WeakPolarHBondContact CB-O 3.28Å; C258-K263 PolarHBondContact N-O 3.39Å; C258-F265 HydrophobicContact CB-CE2 4.26Å; C258-L271 HydrophobicContact CB-CD1 3.5Å
259	S	87.6	Confident	82.9	Confident	120 Å²	120	73.2 Å²	73.2	84%	0.839	42%	0.419	S	S	*	.	T	Hydrogen-bonded Turn	trans	-51.7	-29.7	178.3	-48.4	0	0	0	0	113.8	C261	S259-C261 VanDerWaalsContact C-N 3.34Å; S259-C261 PolarHBondContact O-N 2.98Å
260	D	86.3	Confident	82.6	Confident	82 Å²	82	69.4 Å²	69.4	44%	0.439	40%	0.404	S	S	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-17.8	-178.2	-47.5	-59	0	0	0	113.7	C258 R275 H278	C258-D260 PolarHBondContact O-N 3.38Å; D260-R275 IonicContact OD2-NE 3.61Å; D260-R275 PolarHBondContact OD2-NE 3.06Å; D260-H278 HydrophobicContact CB-CB 4.26Å; D260-H278 IonicContact OD2-CD2 3.4Å
261	C	90.6	Very high	82.5	Confident	51 Å²	51	66.7 Å²	66.7	35%	0.345	39%	0.392	S	S	.	.	T	Hydrogen-bonded Turn	trans	-158.4	9.6	-175.8	70.7	0	0	0	0	117.5	C258 S259 K263 H274 H278	C258-C261 PolarHBondContact O-N 3.09Å; S259-C261 VanDerWaalsContact C-N 3.34Å; S259-C261 PolarHBondContact O-N 2.98Å; C261-K263 PolarHBondContact O-N 2.91Å; C261-K263 VanDerWaalsContact O-N 3.14Å; C261-H274 PolarHBondContact SG-NE2 2.98Å; C261-H274 VanDerWaalsContact SG-NE2 3.4Å; C261-H278 PolarHBondContact SG-NE2 2.96Å
262	G	86.3	Confident	82.2	Confident	40 Å²	40	67.6 Å²	67.6	41%	0.412	39%	0.393	S	S	.	.	T	Hydrogen-bonded Turn	trans	67.6	6.1	179.7	0	0	0	0	0	115.7	C258	C258-G262 PolarHBondContact O-N 3.38Å
263	K	87.4	Confident	82	Confident	122 Å²	122	68.5 Å²	68.5	53%	0.53	39%	0.387	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.9	129.2	-179.3	-72.3	177.2	-175.3	165.8	0	111	C258 C261 F265	C258-K263 WeakPolarHBondContact CB-O 3.28Å; C258-K263 PolarHBondContact N-O 3.39Å; C261-K263 PolarHBondContact O-N 2.91Å; C261-K263 VanDerWaalsContact O-N 3.14Å; K263-F265 HydrophobicContact CB-CE2 3.91Å; K263-F265 HydrophobicContact CB-CZ 4.11Å; K263-F265 WeakPolarHBondContact O-CD2 3.3Å; K263-F265 VanDerWaalsContact O-CE2 3.27Å; K263-F265 WeakPolarHBondContact O-CE2 3.41Å
264	T	84.8	Confident	82.1	Confident	59 Å²	59	64.4 Å²	64.4	36%	0.362	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	144	-176.4	56	0	0	0	0	112.3	K254 Y256 E257	K254-T264 WeakPolarHBondContact CD-OG1 3.21Å; Y256-T264 CarbonylContact O-C 3.58Å; Y256-T264 WeakPolarHBondContact O-CA 3.24Å; E257-T264 HydrophobicContact CB-CG2 4Å; E257-T264 HydrophobicContact CG-CG2 3.92Å
265	F	81.2	Confident	82	Confident	44 Å²	44	64 Å²	64	19%	0.193	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-128.8	150.7	-175.9	-60.7	-88.2	0	0	0	111.5	K254 Y256 C258 K263 A270 L271 H274	K254-F265 CarbonylContact C-O 3.56Å; K254-F265 WeakPolarHBondContact CA-O 3.24Å; Y256-F265 WeakPolarHBondContact CD2-O 3.34Å; Y256-F265 PolarHBondContact N-O 3.46Å; Y256-F265 PolarHBondContact O-N 2.63Å; C258-F265 HydrophobicContact CB-CE2 4.26Å; K263-F265 HydrophobicContact CB-CE2 3.91Å; K263-F265 HydrophobicContact CB-CZ 4.11Å; K263-F265 WeakPolarHBondContact O-CD2 3.3Å; K263-F265 VanDerWaalsContact O-CE2 3.27Å; K263-F265 WeakPolarHBondContact O-CE2 3.41Å; F265-A270 HydrophobicContact CB-CB 4.22Å; F265-A270 HydrophobicContact CD1-CB 3.94Å; F265-A270 HydrophobicContact CG-CB 4.35Å; F265-L271 HydrophobicContact CB-CB 4.35Å; F265-L271 HydrophobicContact CD2-CB 3.98Å; F265-L271 HydrophobicContact CD2-CD1 3.96Å; F265-L271 HydrophobicContact CE2-CD1 4.16Å; F265-L271 HydrophobicContact CG-CB 4.31Å; F265-H274 HydrophobicContact CE1-CB 4.01Å; F265-H274 HydrophobicContact CE2-CB 3.94Å; F265-H274 AromaticContact CE2-CD2 3.38Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.42Å; F265-H274 AromaticContact CE2-CG 3.76Å; F265-H274 HydrophobicContact CZ-CB 3.53Å; F265-H274 AromaticContact CZ-CD2 3.28Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.46Å; F265-H274 AromaticContact CZ-CG 3.27Å; F265-H274 AromaticContact CZ-ND1 3.91Å; F265-H274 AromaticContact CZ-NE2 3.9Å
266	S	77.4	Confident	82.3	Confident	37 Å²	37	62.4 Å²	62.4	26%	0.259	35%	0.347	S	S	.	.	S	Bend	trans	-82	-12.4	179.6	54.4	0	0	0	0	114.2	R248	R248-S266 WeakPolarHBondContact CD-O 3.45Å; R248-S266 PolarHBondContact NH1-O 2.84Å
267	C	75.1	Confident	82.4	Confident	18 Å²	18	63.7 Å²	63.7	12%	0.122	36%	0.358	C	S	.	.	S	Bend	trans	-141.9	150.5	172.6	60.3	0	0	0	0	112.4	Q245 Y256 S269 A270 L271	Q245-C267 PolarHBondContact NE2-SG 3.03Å; Y256-C267 VanDerWaalsContact CD2-CA 3.46Å; Y256-C267 VanDerWaalsContact CE2-CA 3.48Å; C267-S269 VanDerWaalsContact C-N 3.33Å; C267-S269 PolarHBondContact O-N 3.12Å; C267-S269 PolarHBondContact SG-OG 2.86Å; C267-A270 PolarHBondContact O-N 3.08Å; C267-A270 VanDerWaalsContact SG-CB 3.52Å; C267-L271 PolarHBondContact O-N 3.03Å
268	S	75.6	Confident	82.3	Confident	57 Å²	57	61.7 Å²	61.7	40%	0.399	35%	0.349	S	S	.	.	H	α-helix	trans	-62.4	-36.1	178.9	50	0	0	0	0	113.1	A270 L271 I272	S268-A270 VanDerWaalsContact C-N 3.32Å; S268-A270 PolarHBondContact O-N 3.12Å; S268-L271 WeakPolarHBondContact O-CB 3.47Å; S268-L271 PolarHBondContact O-N 3.26Å; S268-L271 VanDerWaalsContact O-N 3.17Å; S268-I272 WeakPolarHBondContact O-CG1 3.39Å; S268-I272 PolarHBondContact O-N 3.16Å
269	S	75.6	Confident	82.1	Confident	77 Å²	77	64.9 Å²	64.9	54%	0.538	37%	0.368	S	S	.	.	H	α-helix	trans	-62.9	-36.5	177.7	52.8	0	0	0	0	112.5	C267 L273	C267-S269 VanDerWaalsContact C-N 3.33Å; C267-S269 PolarHBondContact O-N 3.12Å; C267-S269 PolarHBondContact SG-OG 2.86Å; S269-L273 WeakPolarHBondContact O-CB 3.15Å; S269-L273 PolarHBondContact O-N 2.88Å
270	A	77.1	Confident	81.9	Confident	34 Å²	34	61.3 Å²	61.3	28%	0.281	35%	0.35	S	S	.	.	H	α-helix	trans	-69	-37	173.4	0	0	0	0	0	112.3	F265 C267 S268 L273 H274	F265-A270 HydrophobicContact CB-CB 4.22Å; F265-A270 HydrophobicContact CD1-CB 3.94Å; F265-A270 HydrophobicContact CG-CB 4.35Å; C267-A270 PolarHBondContact O-N 3.08Å; C267-A270 VanDerWaalsContact SG-CB 3.52Å; S268-A270 VanDerWaalsContact C-N 3.32Å; S268-A270 PolarHBondContact O-N 3.12Å; A270-L273 PolarHBondContact O-N 2.93Å; A270-H274 VanDerWaalsContact O-CB 3.31Å; A270-H274 WeakPolarHBondContact O-CB 3.49Å; A270-H274 PolarHBondContact O-N 3.35Å
271	L	81.9	Confident	81.6	Confident	27 Å²	27	60.4 Å²	60.4	14%	0.141	34%	0.343	C	S	.	.	H	α-helix	trans	-64.4	-49.7	173.4	170.5	60.5	0	0	0	111.8	E257 C258 F265 C267 S268 L273 H274 R275	E257-L271 WeakPolarHBondContact O-CD2 3.32Å; C258-L271 HydrophobicContact CB-CD1 3.5Å; F265-L271 HydrophobicContact CB-CB 4.35Å; F265-L271 HydrophobicContact CD2-CB 3.98Å; F265-L271 HydrophobicContact CD2-CD1 3.96Å; F265-L271 HydrophobicContact CE2-CD1 4.16Å; F265-L271 HydrophobicContact CG-CB 4.31Å; C267-L271 PolarHBondContact O-N 3.03Å; S268-L271 WeakPolarHBondContact O-CB 3.47Å; S268-L271 PolarHBondContact O-N 3.26Å; S268-L271 VanDerWaalsContact O-N 3.17Å; L271-L273 PolarHBondContact O-N 3.12Å; L271-H274 WeakPolarHBondContact O-CB 3.45Å; L271-H274 PolarHBondContact O-N 3.34Å; L271-R275 HydrophobicContact CD1-CG 4.22Å; L271-R275 PolarHBondContact O-N 3.46Å
272	I	78.6	Confident	81.2	Confident	103 Å²	103	63.4 Å²	63.4	53%	0.528	35%	0.35	S	S	.	.	H	α-helix	trans	-56.2	-43.9	176.9	-68	164	0	0	0	110.1	S268 H274 R275	S268-I272 WeakPolarHBondContact O-CG1 3.39Å; S268-I272 PolarHBondContact O-N 3.16Å; I272-H274 VanDerWaalsContact C-N 3.33Å; I272-H274 PolarHBondContact O-N 3.48Å; I272-R275 PolarHBondContact O-N 3.4Å
273	L	77.7	Confident	81	Confident	66 Å²	66	65 Å²	65	35%	0.346	35%	0.353	S	S	.	.	H	α-helix	trans	-68.8	-30.8	178.7	-164.9	61.8	0	0	0	113	S269 A270 L271 W295	S269-L273 WeakPolarHBondContact O-CB 3.15Å; S269-L273 PolarHBondContact O-N 2.88Å; A270-L273 PolarHBondContact O-N 2.93Å; L271-L273 PolarHBondContact O-N 3.12Å; L273-W295 VanDerWaalsContact CG-NE1 3.31Å
274	H	83.4	Confident	80.8	Confident	23 Å²	23	62.8 Å²	62.8	11%	0.106	34%	0.342	C	S	.	.	H	α-helix	trans	-70.2	-39.8	174	178.9	53.4	0	0	0	112.6	C261 F265 A270 L271 I272 R276 I277 H278	C261-H274 PolarHBondContact SG-NE2 2.98Å; C261-H274 VanDerWaalsContact SG-NE2 3.4Å; F265-H274 HydrophobicContact CE1-CB 4.01Å; F265-H274 HydrophobicContact CE2-CB 3.94Å; F265-H274 AromaticContact CE2-CD2 3.38Å; F265-H274 WeakPolarHBondContact CE2-CD2 3.42Å; F265-H274 AromaticContact CE2-CG 3.76Å; F265-H274 HydrophobicContact CZ-CB 3.53Å; F265-H274 AromaticContact CZ-CD2 3.28Å; F265-H274 WeakPolarHBondContact CZ-CD2 3.46Å; F265-H274 AromaticContact CZ-CG 3.27Å; F265-H274 AromaticContact CZ-ND1 3.91Å; F265-H274 AromaticContact CZ-NE2 3.9Å; A270-H274 VanDerWaalsContact O-CB 3.31Å; A270-H274 WeakPolarHBondContact O-CB 3.49Å; A270-H274 PolarHBondContact O-N 3.35Å; L271-H274 WeakPolarHBondContact O-CB 3.45Å; L271-H274 PolarHBondContact O-N 3.34Å; I272-H274 VanDerWaalsContact C-N 3.33Å; I272-H274 PolarHBondContact O-N 3.48Å; H274-R276 PolarHBondContact O-N 3.47Å; H274-R276 VanDerWaalsContact O-N 3.09Å; H274-I277 VanDerWaalsContact O-CB 3.28Å; H274-I277 WeakPolarHBondContact O-CB 3.29Å; H274-I277 WeakPolarHBondContact O-CG1 3.21Å; H274-I277 PolarHBondContact O-N 3.43Å; H274-H278 AromaticContact NE2-NE2 3.49Å; H274-H278 PolarHBondContact NE2-NE2 2.88Å
275	R	80.3	Confident	80.8	Confident	106 Å²	106	65.1 Å²	65.1	40%	0.4	35%	0.349	S	S	.	.	H	α-helix	trans	-57.9	-25.9	-179.1	-73.2	-171.6	69.9	-122.6	-0.7	113.8	D260 L271 I272 I277 H278 T279	D260-R275 IonicContact OD2-NE 3.61Å; D260-R275 PolarHBondContact OD2-NE 3.06Å; L271-R275 HydrophobicContact CD1-CG 4.22Å; L271-R275 PolarHBondContact O-N 3.46Å; I272-R275 PolarHBondContact O-N 3.4Å; R275-I277 PolarHBondContact O-N 2.89Å; R275-I277 VanDerWaalsContact O-N 3.12Å; R275-H278 WeakPolarHBondContact O-CA 3.2Å; R275-H278 WeakPolarHBondContact O-CB 3.43Å; R275-H278 PolarHBondContact O-N 3.17Å; R275-T279 PolarHBondContact O-N 3.42Å; R275-T279 PolarHBondContact O-OG1 3.32Å
276	R	85.1	Confident	81.1	Confident	43 Å²	43	63 Å²	63	16%	0.162	34%	0.34	C	S	.	.	H	α-helix	trans	-57.7	-21.9	171.3	-61.1	-168.1	173.5	158.3	3	114.4	H274 H278 T279 G280 E281 S294	H274-R276 PolarHBondContact O-N 3.47Å; H274-R276 VanDerWaalsContact O-N 3.09Å; R276-H278 VanDerWaalsContact C-N 3.34Å; R276-T279 WeakPolarHBondContact CA-OG1 3.49Å; R276-G280 CarbonylContact O-C 3.59Å; R276-G280 WeakPolarHBondContact O-CA 3.37Å; R276-G280 PolarHBondContact O-N 3.49Å; R276-E281 HydrophobicContact CB-CB 4.08Å; R276-E281 HydrophobicContact CG-CB 3.9Å; R276-E281 IonicContact NE-OE2 3.96Å; R276-E281 PolarHBondContact O-N 3.42Å; R276-S294 PolarHBondContact NH1-O 3.29Å
277	I	84.5	Confident	81.7	Confident	105 Å²	105	68.7 Å²	68.7	54%	0.538	37%	0.367	S	S	.	.	H	α-helix	trans	-72.6	-30.3	173.7	-57.9	-177.5	0	0	0	110.9	H274 R275	H274-I277 VanDerWaalsContact O-CB 3.28Å; H274-I277 WeakPolarHBondContact O-CB 3.29Å; H274-I277 WeakPolarHBondContact O-CG1 3.21Å; H274-I277 PolarHBondContact O-N 3.43Å; R275-I277 PolarHBondContact O-N 2.89Å; R275-I277 VanDerWaalsContact O-N 3.12Å
278	H	84.4	Confident	82.4	Confident	81 Å²	81	73 Å²	73	38%	0.375	39%	0.386	S	S	.	.	H	α-helix	trans	-87.6	-43.7	177.7	-59.1	-60.9	0	0	0	112.3	D260 C261 H274 R275 R276 G280	D260-H278 HydrophobicContact CB-CB 4.26Å; D260-H278 IonicContact OD2-CD2 3.4Å; C261-H278 PolarHBondContact SG-NE2 2.96Å; H274-H278 AromaticContact NE2-NE2 3.49Å; H274-H278 PolarHBondContact NE2-NE2 2.88Å; R275-H278 WeakPolarHBondContact O-CA 3.2Å; R275-H278 WeakPolarHBondContact O-CB 3.43Å; R275-H278 PolarHBondContact O-N 3.17Å; R276-H278 VanDerWaalsContact C-N 3.34Å; H278-G280 VanDerWaalsContact C-N 3.28Å; H278-G280 PolarHBondContact O-N 3.35Å
279	T	83.1	Confident	83.1	Confident	68 Å²	68	72.5 Å²	72.5	42%	0.417	38%	0.381	S	S	.	.	H	α-helix	trans	-76.8	-14.1	178.2	60.7	0	0	0	0	113.3	R275 R276 E281	R275-T279 PolarHBondContact O-N 3.42Å; R275-T279 PolarHBondContact O-OG1 3.32Å; R276-T279 WeakPolarHBondContact CA-OG1 3.49Å; T279-E281 WeakPolarHBondContact CB-OE1 3.41Å; T279-E281 PolarHBondContact O-N 3.49Å; T279-E281 VanDerWaalsContact OG1-CD 3.23Å; T279-E281 VanDerWaalsContact OG1-CG 3.31Å; T279-E281 WeakPolarHBondContact OG1-CG 3.31Å; T279-E281 PolarHBondContact OG1-OE1 3.4Å
280	G	83.6	Confident	83.7	Confident	44 Å²	44	70.9 Å²	70.9	45%	0.454	38%	0.377	S	S	.	.			trans	72.5	5.1	-175.8	0	0	0	0	0	114.4	R276 H278 K282	R276-G280 CarbonylContact O-C 3.59Å; R276-G280 WeakPolarHBondContact O-CA 3.37Å; R276-G280 PolarHBondContact O-N 3.49Å; H278-G280 VanDerWaalsContact C-N 3.28Å; H278-G280 PolarHBondContact O-N 3.35Å; G280-K282 PolarHBondContact O-N 3.26Å
281	E	81.1	Confident	84.2	Confident	64 Å²	64	74.9 Å²	74.9	30%	0.299	39%	0.388	S	S	.	.			trans	-52.6	129.3	-178	-85.5	165.1	-116.6	0	0	113	R276 T279 S294	R276-E281 HydrophobicContact CB-CB 4.08Å; R276-E281 HydrophobicContact CG-CB 3.9Å; R276-E281 IonicContact NE-OE2 3.96Å; R276-E281 PolarHBondContact O-N 3.42Å; T279-E281 WeakPolarHBondContact CB-OE1 3.41Å; T279-E281 PolarHBondContact O-N 3.49Å; T279-E281 VanDerWaalsContact OG1-CD 3.23Å; T279-E281 VanDerWaalsContact OG1-CG 3.31Å; T279-E281 WeakPolarHBondContact OG1-CG 3.31Å; T279-E281 PolarHBondContact OG1-OE1 3.4Å; E281-S294 VanDerWaalsContact O-CB 3.32Å; E281-S294 WeakPolarHBondContact O-CB 3.41Å; E281-S294 PolarHBondContact O-OG 2.9Å
282	K	82	Confident	84.4	Confident	113 Å²	113	76.4 Å²	76.4	49%	0.491	40%	0.399	S	S	.	.			trans	-133.9	72.4	177.6	-71.6	163.4	179.5	173.1	0	111	G280 Y284 T292 F293 S294	G280-K282 PolarHBondContact O-N 3.26Å; K282-Y284 PolarHBondContact O-N 2.92Å; K282-Y284 VanDerWaalsContact O-N 3.11Å; K282-T292 WeakPolarHBondContact CD-OG1 3.48Å; K282-F293 CarbonylContact C-O 3.49Å; K282-F293 VanDerWaalsContact CA-O 3.23Å; K282-F293 WeakPolarHBondContact CA-O 3.48Å; K282-S294 WeakPolarHBondContact CG-OG 3.42Å
283	P	81.6	Confident	84.5	Confident	73 Å²	73	73.7 Å²	73.7	47%	0.474	38%	0.383	S	S	.	.			trans	-71.1	-5.4	-170.2	-19.6	34.7	0	0	0	115.5
284	Y	83.2	Confident	84.6	Confident	77 Å²	77	71.6 Å²	71.6	30%	0.302	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.9	101.2	-175	-52.7	-73.8	0	0	0	110	K282 T292 F293 S294 S296	K282-Y284 PolarHBondContact O-N 2.92Å; K282-Y284 VanDerWaalsContact O-N 3.11Å; Y284-T292 CarbonylContact O-C 3.15Å; Y284-T292 WeakPolarHBondContact O-CA 3.48Å; Y284-F293 WeakPolarHBondContact CD2-O 3.39Å; Y284-F293 PolarHBondContact N-O 3.43Å; Y284-F293 VanDerWaalsContact N-O 3.1Å; Y284-F293 PolarHBondContact O-N 3.31Å; Y284-S294 WeakPolarHBondContact CE2-O 3.28Å; Y284-S296 VanDerWaalsContact CE2-N 3.3Å
285	E	85.3	Confident	84.3	Confident	108 Å²	108	75.5 Å²	75.5	51%	0.505	39%	0.388	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	146.7	179.2	-169.3	169.8	158.4	0	0	112.4	T292 L299	E285-T292 HydrophobicContact CB-CG2 4.04Å; E285-T292 HydrophobicContact CG-CG2 3.9Å; E285-L299 VanDerWaalsContact O-CD2 3.27Å; E285-L299 WeakPolarHBondContact O-CD2 3.35Å
286	C	87.9	Confident	84.3	Confident	0 Å²	0	73.3 Å²	73.3	0%	0	39%	0.389	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.4	102.5	170.4	-170.2	0	0	0	0	110.7	E288 C289 G290 K291 F293 L299 H302	C286-E288 PolarHBondContact O-N 3.47Å; C286-C289 PolarHBondContact O-N 3.2Å; C286-G290 PolarHBondContact O-N 3.28Å; C286-K291 HydrophobicContact CB-CB 4.5Å; C286-K291 WeakPolarHBondContact CB-O 3.36Å; C286-K291 PolarHBondContact N-O 3.46Å; C286-F293 HydrophobicContact CB-CE2 4.3Å; C286-L299 HydrophobicContact CB-CD1 3.55Å; C286-H302 VanDerWaalsContact SG-CD2 3.6Å
287	N	89.9	Confident	84	Confident	155 Å²	155	74.2 Å²	74.2	83%	0.829	40%	0.402	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52	-23.9	-178.5	-58.4	4.6	0	0	0	114.4
288	E	88.4	Confident	83.9	Confident	110 Å²	110	71.2 Å²	71.2	51%	0.514	39%	0.388	S	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-17.2	-178.5	-62.5	176.1	-98.9	0	0	113.9	C286 H306	C286-E288 PolarHBondContact O-N 3.47Å; E288-H306 IonicContact OE1-CD2 3.61Å; E288-H306 IonicContact OE1-CG 3.88Å; E288-H306 WeakPolarHBondContact OE2-CB 3.46Å; E288-H306 IonicContact OE2-CD2 2.81Å; E288-H306 IonicContact OE2-CG 3.63Å
289	C	91.4	Very high	84	Confident	45 Å²	45	68.4 Å²	68.4	30%	0.304	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	-153	12.6	-178.5	69.6	0	0	0	0	116.5	C286 K291 H302 H306	C286-C289 PolarHBondContact O-N 3.2Å; C289-K291 PolarHBondContact O-N 2.95Å; C289-K291 VanDerWaalsContact O-N 3.1Å; C289-H302 PolarHBondContact SG-NE2 2.83Å; C289-H306 WeakPolarHBondContact CB-NE2 3.49Å; C289-H306 PolarHBondContact SG-NE2 3.11Å
290	G	87.2	Confident	84.1	Confident	43 Å²	43	68.4 Å²	68.4	44%	0.443	38%	0.376	S	S	.	.	T	Hydrogen-bonded Turn	trans	65.9	8.4	177.4	0	0	0	0	0	115.4	C286 T292	C286-G290 PolarHBondContact O-N 3.28Å; G290-T292 PolarHBondContact O-N 2.95Å
291	K	87.4	Confident	84.1	Confident	118 Å²	118	69.2 Å²	69.2	51%	0.513	37%	0.368	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.9	125	-177.5	-70.9	179.1	-173	170.6	0	110.6	C286 C289 F293	C286-K291 HydrophobicContact CB-CB 4.5Å; C286-K291 WeakPolarHBondContact CB-O 3.36Å; C286-K291 PolarHBondContact N-O 3.46Å; C289-K291 PolarHBondContact O-N 2.95Å; C289-K291 VanDerWaalsContact O-N 3.1Å; K291-F293 HydrophobicContact CB-CE2 3.85Å; K291-F293 HydrophobicContact CB-CZ 4.05Å; K291-F293 WeakPolarHBondContact O-CD2 3.33Å; K291-F293 WeakPolarHBondContact O-CE2 3.31Å
292	T	85.5	Confident	84.4	Confident	60 Å²	60	66.9 Å²	66.9	37%	0.368	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	143.1	-176.8	57.9	0	0	0	0	112.2	K282 Y284 E285 G290	K282-T292 WeakPolarHBondContact CD-OG1 3.48Å; Y284-T292 CarbonylContact O-C 3.15Å; Y284-T292 WeakPolarHBondContact O-CA 3.48Å; E285-T292 HydrophobicContact CB-CG2 4.04Å; E285-T292 HydrophobicContact CG-CG2 3.9Å; G290-T292 PolarHBondContact O-N 2.95Å
293	F	82.3	Confident	84.7	Confident	45 Å²	45	64.8 Å²	64.8	20%	0.197	35%	0.349	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.3	146.3	-175.4	-60.1	-89.4	0	0	0	111.8	K282 Y284 C286 K291 W295 L299 H302	K282-F293 CarbonylContact C-O 3.49Å; K282-F293 VanDerWaalsContact CA-O 3.23Å; K282-F293 WeakPolarHBondContact CA-O 3.48Å; Y284-F293 WeakPolarHBondContact CD2-O 3.39Å; Y284-F293 PolarHBondContact N-O 3.43Å; Y284-F293 VanDerWaalsContact N-O 3.1Å; Y284-F293 PolarHBondContact O-N 3.31Å; C286-F293 HydrophobicContact CB-CE2 4.3Å; K291-F293 HydrophobicContact CB-CE2 3.85Å; K291-F293 HydrophobicContact CB-CZ 4.05Å; K291-F293 WeakPolarHBondContact O-CD2 3.33Å; K291-F293 WeakPolarHBondContact O-CE2 3.31Å; F293-W295 VanDerWaalsContact C-N 3.32Å; F293-L299 HydrophobicContact CB-CB 4.4Å; F293-L299 HydrophobicContact CD2-CB 4.01Å; F293-L299 HydrophobicContact CD2-CD1 3.99Å; F293-L299 HydrophobicContact CE2-CD1 4.15Å; F293-L299 HydrophobicContact CG-CB 4.34Å; F293-H302 HydrophobicContact CE1-CB 4.18Å; F293-H302 HydrophobicContact CE2-CB 4.13Å; F293-H302 AromaticContact CE2-CD2 3.24Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.24Å; F293-H302 AromaticContact CE2-CG 3.83Å; F293-H302 HydrophobicContact CZ-CB 3.68Å; F293-H302 AromaticContact CZ-CD2 3.23Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.47Å; F293-H302 AromaticContact CZ-CG 3.39Å; F293-H302 AromaticContact CZ-NE2 3.9Å
294	S	79.2	Confident	85	Confident	22 Å²	22	63.4 Å²	63.4	15%	0.154	33%	0.334	C	S	.	.	S	Bend	trans	-79.9	-12	176.6	-50.4	0	0	0	0	113.9	R276 E281 K282 Y284	R276-S294 PolarHBondContact NH1-O 3.29Å; E281-S294 VanDerWaalsContact O-CB 3.32Å; E281-S294 WeakPolarHBondContact O-CB 3.41Å; E281-S294 PolarHBondContact O-OG 2.9Å; K282-S294 WeakPolarHBondContact CG-OG 3.42Å; Y284-S294 WeakPolarHBondContact CE2-O 3.28Å
295	W	77	Confident	85.3	Confident	105 Å²	105	65.1 Å²	65.1	40%	0.398	35%	0.347	S	S	.	.	S	Bend	trans	-130.5	137.9	179.6	-62.2	-67.6	0	0	0	111.7	L273 F293 S297 T298 L299	L273-W295 VanDerWaalsContact CG-NE1 3.31Å; F293-W295 VanDerWaalsContact C-N 3.32Å; W295-S297 VanDerWaalsContact C-N 3.33Å; W295-S297 PolarHBondContact O-N 3.04Å; W295-T298 HydrophobicContact CB-CG2 4.29Å; W295-T298 HydrophobicContact CE3-CG2 4.01Å; W295-T298 PolarHBondContact O-N 3.13Å; W295-T298 PolarHBondContact O-OG1 3.35Å; W295-L299 PolarHBondContact O-N 3.11Å
296	S	80.4	Confident	85.5	Confident	61 Å²	61	64 Å²	64	43%	0.427	34%	0.342	S	S	.	.	H	α-helix	trans	-64.1	-38.2	175.1	49.6	0	0	0	0	111.9	Y284 T298 L299 T300	Y284-S296 VanDerWaalsContact CE2-N 3.3Å; S296-T298 VanDerWaalsContact C-N 3.32Å; S296-T298 PolarHBondContact O-N 2.95Å; S296-L299 WeakPolarHBondContact O-CB 3.32Å; S296-L299 PolarHBondContact O-N 3.44Å; S296-T300 PolarHBondContact O-N 2.93Å; S296-T300 PolarHBondContact O-OG1 2.88Å; S296-T300 VanDerWaalsContact O-OG1 3.06Å
297	S	79.6	Confident	85.6	Confident	62 Å²	62	67.9 Å²	67.9	43%	0.434	37%	0.365	S	S	.	.	H	α-helix	trans	-62.3	-34.8	177	55.6	0	0	0	0	113.2	W295 T300 H301	W295-S297 VanDerWaalsContact C-N 3.33Å; W295-S297 PolarHBondContact O-N 3.04Å; S297-T300 PolarHBondContact O-N 3.4Å; S297-H301 WeakPolarHBondContact O-CB 3.21Å; S297-H301 PolarHBondContact O-CD2 3.08Å; S297-H301 PolarHBondContact O-N 3.18Å
298	T	82.1	Confident	85.5	Confident	42 Å²	42	62.4 Å²	62.4	26%	0.258	35%	0.346	S	S	.	.	H	α-helix	trans	-75.5	-31.2	175.7	55.9	0	0	0	0	112.4	W295 S296 H302	W295-T298 HydrophobicContact CB-CG2 4.29Å; W295-T298 HydrophobicContact CE3-CG2 4.01Å; W295-T298 PolarHBondContact O-N 3.13Å; W295-T298 PolarHBondContact O-OG1 3.35Å; S296-T298 VanDerWaalsContact C-N 3.32Å; S296-T298 PolarHBondContact O-N 2.95Å; T298-H302 VanDerWaalsContact O-CB 3.26Å; T298-H302 WeakPolarHBondContact O-CB 3.4Å; T298-H302 PolarHBondContact O-N 3.1Å
299	L	86.6	Confident	85.6	Confident	21 Å²	21	61.7 Å²	61.7	11%	0.11	34%	0.343	C	S	.	.	H	α-helix	trans	-61.9	-50.4	166.2	172.3	61.4	0	0	0	111.2	E285 C286 F293 W295 S296 H301 H302 Q303	E285-L299 VanDerWaalsContact O-CD2 3.27Å; E285-L299 WeakPolarHBondContact O-CD2 3.35Å; C286-L299 HydrophobicContact CB-CD1 3.55Å; F293-L299 HydrophobicContact CB-CB 4.4Å; F293-L299 HydrophobicContact CD2-CB 4.01Å; F293-L299 HydrophobicContact CD2-CD1 3.99Å; F293-L299 HydrophobicContact CE2-CD1 4.15Å; F293-L299 HydrophobicContact CG-CB 4.34Å; W295-L299 PolarHBondContact O-N 3.11Å; S296-L299 WeakPolarHBondContact O-CB 3.32Å; S296-L299 PolarHBondContact O-N 3.44Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 2.81Å; L299-H302 CarbonylContact O-C 3.51Å; L299-H302 WeakPolarHBondContact O-CA 3.41Å; L299-H302 WeakPolarHBondContact O-CB 3.38Å; L299-H302 PolarHBondContact O-N 3.09Å; L299-Q303 HydrophobicContact CD1-CG 3.99Å; L299-Q303 HydrophobicContact CG-CG 4.42Å; L299-Q303 WeakPolarHBondContact O-CG 3.42Å; L299-Q303 PolarHBondContact O-N 3Å
300	T	83.4	Confident	85.7	Confident	68 Å²	68	65.7 Å²	65.7	42%	0.417	36%	0.355	S	S	.	.	H	α-helix	trans	-58.9	-39.9	177.7	-51	0	0	0	0	112.1	S296 S297 H302	S296-T300 PolarHBondContact O-N 2.93Å; S296-T300 PolarHBondContact O-OG1 2.88Å; S296-T300 VanDerWaalsContact O-OG1 3.06Å; S297-T300 PolarHBondContact O-N 3.4Å; T300-H302 VanDerWaalsContact C-N 3.25Å; T300-H302 PolarHBondContact O-N 3.37Å
301	H	84	Confident	85.8	Confident	61 Å²	61	67 Å²	67	28%	0.282	36%	0.356	S	S	.	.	H	α-helix	trans	-73	-13.7	173.7	-67	-32.1	0	0	0	114.4	S297 L299	S297-H301 WeakPolarHBondContact O-CB 3.21Å; S297-H301 PolarHBondContact O-CD2 3.08Å; S297-H301 PolarHBondContact O-N 3.18Å; L299-H301 VanDerWaalsContact C-N 3.29Å; L299-H301 PolarHBondContact O-N 2.81Å
302	H	88.5	Confident	86	Confident	16 Å²	16	65 Å²	65	7%	0.074	35%	0.345	C	S	.	.	H	α-helix	trans	-90.8	-39.4	175.5	169.8	50.1	0	0	0	112	C286 C289 F293 T298 L299 T300 R304 I305	C286-H302 VanDerWaalsContact SG-CD2 3.6Å; C289-H302 PolarHBondContact SG-NE2 2.83Å; F293-H302 HydrophobicContact CE1-CB 4.18Å; F293-H302 HydrophobicContact CE2-CB 4.13Å; F293-H302 AromaticContact CE2-CD2 3.24Å; F293-H302 WeakPolarHBondContact CE2-CD2 3.24Å; F293-H302 AromaticContact CE2-CG 3.83Å; F293-H302 HydrophobicContact CZ-CB 3.68Å; F293-H302 AromaticContact CZ-CD2 3.23Å; F293-H302 WeakPolarHBondContact CZ-CD2 3.47Å; F293-H302 AromaticContact CZ-CG 3.39Å; F293-H302 AromaticContact CZ-NE2 3.9Å; T298-H302 VanDerWaalsContact O-CB 3.26Å; T298-H302 WeakPolarHBondContact O-CB 3.4Å; T298-H302 PolarHBondContact O-N 3.1Å; L299-H302 CarbonylContact O-C 3.51Å; L299-H302 WeakPolarHBondContact O-CA 3.41Å; L299-H302 WeakPolarHBondContact O-CB 3.38Å; L299-H302 PolarHBondContact O-N 3.09Å; T300-H302 VanDerWaalsContact C-N 3.25Å; T300-H302 PolarHBondContact O-N 3.37Å; H302-R304 PolarHBondContact O-N 2.79Å; H302-I305 WeakPolarHBondContact O-CB 3.25Å; H302-I305 WeakPolarHBondContact O-CG1 3.38Å; H302-I305 PolarHBondContact O-N 3.14Å
303	Q	87.2	Confident	86.4	Confident	69 Å²	69	64.6 Å²	64.6	32%	0.322	35%	0.348	S	S	.	.	H	α-helix	trans	-55.6	-34.3	175.8	-71	168.9	-60.5	0	0	112.2	L299 I305 H306 T307	L299-Q303 HydrophobicContact CD1-CG 3.99Å; L299-Q303 HydrophobicContact CG-CG 4.42Å; L299-Q303 WeakPolarHBondContact O-CG 3.42Å; L299-Q303 PolarHBondContact O-N 3Å; Q303-I305 PolarHBondContact O-N 3.29Å; Q303-H306 PolarHBondContact O-N 3.03Å; Q303-T307 PolarHBondContact O-N 3.49Å; Q303-T307 VanDerWaalsContact O-N 3.09Å
304	R	89.2	Confident	86.9	Confident	43 Å²	43	62.5 Å²	62.5	16%	0.162	34%	0.339	C	S	.	.	H	α-helix	trans	-58.5	-14.8	171.2	-65.6	-169.9	175	151.8	6.4	115.6	H302 G308 E309 S322	H302-R304 PolarHBondContact O-N 2.79Å; R304-G308 CarbonylContact O-C 3.58Å; R304-G308 WeakPolarHBondContact O-CA 3.36Å; R304-G308 PolarHBondContact O-N 3.39Å; R304-E309 HydrophobicContact CB-CB 4.03Å; R304-E309 HydrophobicContact CG-CB 3.79Å; R304-E309 IonicContact NE-OE2 2.66Å; R304-E309 PolarHBondContact NE-OE2 3.47Å; R304-E309 PolarHBondContact O-N 3.35Å; R304-S322 PolarHBondContact NH1-O 3.33Å
305	I	89.5	Confident	87.6	Confident	113 Å²	113	69 Å²	69	58%	0.579	37%	0.372	S	S	*	.	H	α-helix	trans	-76.7	-34.2	172.8	-57.1	-179	0	0	0	110.2	H302 Q303	H302-I305 WeakPolarHBondContact O-CB 3.25Å; H302-I305 WeakPolarHBondContact O-CG1 3.38Å; H302-I305 PolarHBondContact O-N 3.14Å; Q303-I305 PolarHBondContact O-N 3.29Å
306	H	89.1	Confident	88.3	Confident	86 Å²	86	69.1 Å²	69.1	40%	0.398	38%	0.377	S	S	.	.	H	α-helix	trans	-80.9	-48.5	177.3	-54.7	-61.9	0	0	0	111.7	E288 C289 Q303 G308	E288-H306 IonicContact OE1-CD2 3.61Å; E288-H306 IonicContact OE1-CG 3.88Å; E288-H306 WeakPolarHBondContact OE2-CB 3.46Å; E288-H306 IonicContact OE2-CD2 2.81Å; E288-H306 IonicContact OE2-CG 3.63Å; C289-H306 WeakPolarHBondContact CB-NE2 3.49Å; C289-H306 PolarHBondContact SG-NE2 3.11Å; Q303-H306 PolarHBondContact O-N 3.03Å; H306-G308 PolarHBondContact O-N 3.19Å
307	T	88.7	Confident	89	Confident	80 Å²	80	68.5 Å²	68.5	49%	0.491	37%	0.372	S	S	.	.	S	Bend	trans	-71	-11.5	177.5	67.6	0	0	0	0	113.6	Q303 E309	Q303-T307 PolarHBondContact O-N 3.49Å; Q303-T307 VanDerWaalsContact O-N 3.09Å; T307-E309 PolarHBondContact O-N 3.1Å; T307-E309 WeakPolarHBondContact OG1-CB 3.49Å; T307-E309 WeakPolarHBondContact OG1-CG 3.48Å; T307-E309 PolarHBondContact OG1-N 3.25Å; T307-E309 PolarHBondContact OG1-OE1 3.33Å
308	G	89	Confident	89.5	Confident	41 Å²	41	68.3 Å²	68.3	42%	0.423	38%	0.38	S	S	.	.			trans	70.9	2.5	-176.1	0	0	0	0	0	114.8	R304 H306 K310	R304-G308 CarbonylContact O-C 3.58Å; R304-G308 WeakPolarHBondContact O-CA 3.36Å; R304-G308 PolarHBondContact O-N 3.39Å; H306-G308 PolarHBondContact O-N 3.19Å; G308-K310 PolarHBondContact O-N 2.75Å
309	E	90.7	Very high	90	Very high	94 Å²	94	72.2 Å²	72.2	44%	0.439	39%	0.394	S	S	.	.			trans	-52.5	125.1	-175.7	-94.8	178.5	-134.5	0	0	113.7	R304 T307 S322	R304-E309 HydrophobicContact CB-CB 4.03Å; R304-E309 HydrophobicContact CG-CB 3.79Å; R304-E309 IonicContact NE-OE2 2.66Å; R304-E309 PolarHBondContact NE-OE2 3.47Å; R304-E309 PolarHBondContact O-N 3.35Å; T307-E309 PolarHBondContact O-N 3.1Å; T307-E309 WeakPolarHBondContact OG1-CB 3.49Å; T307-E309 WeakPolarHBondContact OG1-CG 3.48Å; T307-E309 PolarHBondContact OG1-N 3.25Å; T307-E309 PolarHBondContact OG1-OE1 3.33Å; E309-S322 WeakPolarHBondContact O-CB 3.43Å
310	K	92.1	Very high	90.3	Very high	129 Å²	129	73.1 Å²	73.1	56%	0.561	40%	0.404	S	S	*	.			trans	-130.1	73.3	176.7	-71.8	158.7	-175.8	172.1	0	111	G308 Y312 A320 F321	G308-K310 PolarHBondContact O-N 2.75Å; K310-Y312 PolarHBondContact O-N 3.26Å; K310-Y312 VanDerWaalsContact O-N 3.11Å; K310-A320 HydrophobicContact CB-CB 3.62Å; K310-A320 HydrophobicContact CD-CB 4.45Å; K310-A320 WeakPolarHBondContact CD-O 3.44Å; K310-F321 CarbonylContact C-O 3.22Å; K310-F321 VanDerWaalsContact CA-O 3.23Å; K310-F321 WeakPolarHBondContact CA-O 3.48Å
311	P	89.9	Confident	90.7	Very high	71 Å²	71	72.2 Å²	72.2	46%	0.461	40%	0.395	S	S	.	.			trans	-67.8	-11.4	-172.5	-21.3	35.1	0	0	0	115.1
312	Y	91.9	Very high	90.9	Very high	75 Å²	75	71.1 Å²	71.1	29%	0.294	39%	0.394	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	90.1	-173.8	-50.4	-75.9	0	0	0	110	K310 A320 F321 S322 S324	K310-Y312 PolarHBondContact O-N 3.26Å; K310-Y312 VanDerWaalsContact O-N 3.11Å; Y312-A320 WeakPolarHBondContact O-CA 3.09Å; Y312-F321 WeakPolarHBondContact CD2-O 3.28Å; Y312-F321 PolarHBondContact N-O 2.9Å; Y312-F321 VanDerWaalsContact N-O 3.11Å; Y312-F321 PolarHBondContact O-N 2.88Å; Y312-S322 WeakPolarHBondContact CE2-O 3.37Å; Y312-S324 VanDerWaalsContact CD2-N 3.34Å
313	A	93.6	Very high	90.8	Very high	52 Å²	52	75.5 Å²	75.5	43%	0.43	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.4	144.8	176.2	0	0	0	0	0	112.3	A320 L327	A313-A320 HydrophobicContact CB-CB 4.47Å; A313-L327 WeakPolarHBondContact O-CD2 3.49Å
314	C	94	Very high	91	Very high	1 Å²	1	75 Å²	75	1%	0.007	41%	0.414	C	S	.	.			trans	-89.6	116.2	168.6	-176.5	0	0	0	0	110.2	E316 C317 G318 K319 L327	C314-E316 PolarHBondContact O-N 2.92Å; C314-C317 PolarHBondContact O-N 3.48Å; C314-G318 WeakPolarHBondContact O-CA 3.36Å; C314-G318 PolarHBondContact O-N 2.8Å; C314-K319 WeakPolarHBondContact CB-O 3.38Å; C314-K319 PolarHBondContact N-O 3.27Å; C314-L327 HydrophobicContact CB-CD1 3.55Å
315	N	93.1	Very high	91	Very high	158 Å²	158	75.9 Å²	75.9	85%	0.845	43%	0.427	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.5	-24.7	-178	-62.6	-7.2	0	0	0	113.4
316	E	91.8	Very high	91.1	Very high	109 Å²	109	73.3 Å²	73.3	51%	0.509	42%	0.416	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.6	-23.4	-174	-63.4	166.6	-103.1	0	0	113.6	C314 H334	C314-E316 PolarHBondContact O-N 2.92Å; E316-H334 IonicContact OE1-CD2 3.67Å; E316-H334 WeakPolarHBondContact OE2-CB 3.27Å; E316-H334 IonicContact OE2-CD2 3.12Å; E316-H334 IonicContact OE2-CG 3.89Å
317	C	93.9	Very high	91.2	Very high	47 Å²	47	70.2 Å²	70.2	32%	0.318	40%	0.402	S	S	.	.	T	Hydrogen-bonded Turn	trans	-144.3	9.5	-177.5	73.3	0	0	0	0	115.4	C314 K319 H330 H334	C314-C317 PolarHBondContact O-N 3.48Å; C317-K319 PolarHBondContact O-N 3.33Å; C317-H330 PolarHBondContact SG-NE2 2.82Å; C317-H334 WeakPolarHBondContact CB-NE2 3.3Å; C317-H334 PolarHBondContact SG-NE2 2.96Å
318	G	90.9	Very high	91.4	Very high	59 Å²	59	70.6 Å²	70.6	61%	0.608	40%	0.4	S	S	*	.			trans	69.6	-5.8	178.1	0	0	0	0	0	115.9	C314 A320	C314-G318 WeakPolarHBondContact O-CA 3.36Å; C314-G318 PolarHBondContact O-N 2.8Å; G318-A320 PolarHBondContact O-N 3.28Å
319	K	93.5	Very high	91.5	Very high	124 Å²	124	71.6 Å²	71.6	54%	0.539	39%	0.394	S	S	.	.			trans	-67.7	126.2	-177.8	-70.9	178.2	-178.6	171.9	0	111	C314 C317 F321	C314-K319 WeakPolarHBondContact CB-O 3.38Å; C314-K319 PolarHBondContact N-O 3.27Å; C317-K319 PolarHBondContact O-N 3.33Å; K319-F321 HydrophobicContact CB-CE2 3.98Å; K319-F321 HydrophobicContact CB-CZ 4.12Å; K319-F321 VanDerWaalsContact O-CE2 3.27Å; K319-F321 WeakPolarHBondContact O-CE2 3.43Å
320	A	92.9	Very high	91.6	Very high	40 Å²	40	68.1 Å²	68.1	33%	0.331	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.9	144.1	-176.9	0	0	0	0	0	112.8	K310 Y312 A313 G318	K310-A320 HydrophobicContact CB-CB 3.62Å; K310-A320 HydrophobicContact CD-CB 4.45Å; K310-A320 WeakPolarHBondContact CD-O 3.44Å; Y312-A320 WeakPolarHBondContact O-CA 3.09Å; A313-A320 HydrophobicContact CB-CB 4.47Å; G318-A320 PolarHBondContact O-N 3.28Å
321	F	90.8	Very high	91.5	Very high	49 Å²	49	65.2 Å²	65.2	22%	0.215	37%	0.366	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.4	150.5	-174.3	-58	-90.9	0	0	0	111.6	K310 Y312 K319 R323 L327 H330	K310-F321 CarbonylContact C-O 3.22Å; K310-F321 VanDerWaalsContact CA-O 3.23Å; K310-F321 WeakPolarHBondContact CA-O 3.48Å; Y312-F321 WeakPolarHBondContact CD2-O 3.28Å; Y312-F321 PolarHBondContact N-O 2.9Å; Y312-F321 VanDerWaalsContact N-O 3.11Å; Y312-F321 PolarHBondContact O-N 2.88Å; K319-F321 HydrophobicContact CB-CE2 3.98Å; K319-F321 HydrophobicContact CB-CZ 4.12Å; K319-F321 VanDerWaalsContact O-CE2 3.27Å; K319-F321 WeakPolarHBondContact O-CE2 3.43Å; F321-R323 VanDerWaalsContact C-N 3.35Å; F321-L327 HydrophobicContact CD2-CB 4.01Å; F321-L327 HydrophobicContact CD2-CD1 3.97Å; F321-L327 HydrophobicContact CE2-CD1 4.11Å; F321-L327 HydrophobicContact CG-CB 4.44Å; F321-H330 HydrophobicContact CE1-CB 4.22Å; F321-H330 HydrophobicContact CE2-CB 4.01Å; F321-H330 AromaticContact CE2-CD2 3.3Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.42Å; F321-H330 AromaticContact CE2-CG 3.79Å; F321-H330 HydrophobicContact CZ-CB 3.63Å; F321-H330 AromaticContact CZ-CD2 3.31Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.49Å; F321-H330 AromaticContact CZ-CG 3.39Å; F321-H330 AromaticContact CZ-NE2 3.97Å
322	S	89	Confident	91.7	Very high	37 Å²	37	63.8 Å²	63.8	26%	0.259	35%	0.352	S	S	.	.	S	Bend	trans	-82.3	-10.3	178.2	58.1	0	0	0	0	114.1	R304 E309 Y312	R304-S322 PolarHBondContact NH1-O 3.33Å; E309-S322 WeakPolarHBondContact O-CB 3.43Å; Y312-S322 WeakPolarHBondContact CE2-O 3.37Å
323	R	86.8	Confident	91.7	Very high	109 Å²	109	65.7 Å²	65.7	41%	0.411	37%	0.366	S	S	.	.	S	Bend	trans	-134.6	143.4	177.6	-58.6	179.6	-176.4	177.8	-0.2	111.4	F321 T326 L327	F321-R323 VanDerWaalsContact C-N 3.35Å; R323-T326 PolarHBondContact O-N 2.82Å; R323-T326 PolarHBondContact O-OG1 3.33Å; R323-L327 PolarHBondContact O-N 3.29Å
324	S	91.3	Very high	91.6	Very high	59 Å²	59	67.4 Å²	67.4	41%	0.413	37%	0.365	S	S	.	.	H	α-helix	trans	-66.6	-39	178.1	51	0	0	0	0	113	Y312 T326 L327 I328	Y312-S324 VanDerWaalsContact CD2-N 3.34Å; S324-T326 VanDerWaalsContact C-N 3.28Å; S324-T326 PolarHBondContact O-N 3.47Å; S324-L327 WeakPolarHBondContact O-CB 3.42Å; S324-L327 PolarHBondContact O-N 3.49Å; S324-I328 WeakPolarHBondContact O-CG1 3.42Å; S324-I328 PolarHBondContact O-N 3.31Å
325	S	89.3	Confident	91.5	Very high	61 Å²	61	71.2 Å²	71.2	43%	0.427	39%	0.388	S	S	.	.	H	α-helix	trans	-61.2	-35.5	178.1	52.3	0	0	0	0	112.9	I328 H329	S325-I328 PolarHBondContact O-N 3.5Å; S325-H329 WeakPolarHBondContact O-CB 3.43Å; S325-H329 PolarHBondContact O-CD2 3.24Å; S325-H329 PolarHBondContact O-N 2.93Å
326	T	90.3	Very high	91.4	Very high	58 Å²	58	65.9 Å²	65.9	36%	0.356	37%	0.37	S	S	.	.	H	α-helix	trans	-70.9	-31.1	174	43.7	0	0	0	0	113.1	R323 S324 H330	R323-T326 PolarHBondContact O-N 2.82Å; R323-T326 PolarHBondContact O-OG1 3.33Å; S324-T326 VanDerWaalsContact C-N 3.28Å; S324-T326 PolarHBondContact O-N 3.47Å; T326-H330 VanDerWaalsContact O-CB 3.31Å; T326-H330 WeakPolarHBondContact O-CB 3.41Å; T326-H330 PolarHBondContact O-N 2.93Å
327	L	92.6	Very high	91.4	Very high	21 Å²	21	65.5 Å²	65.5	11%	0.11	37%	0.368	C	S	.	.	H	α-helix	trans	-67.1	-47.2	170.4	171.8	61.1	0	0	0	110.8	A313 C314 F321 R323 S324 H329 H330 Q331	A313-L327 WeakPolarHBondContact O-CD2 3.49Å; C314-L327 HydrophobicContact CB-CD1 3.55Å; F321-L327 HydrophobicContact CD2-CB 4.01Å; F321-L327 HydrophobicContact CD2-CD1 3.97Å; F321-L327 HydrophobicContact CE2-CD1 4.11Å; F321-L327 HydrophobicContact CG-CB 4.44Å; R323-L327 PolarHBondContact O-N 3.29Å; S324-L327 WeakPolarHBondContact O-CB 3.42Å; S324-L327 PolarHBondContact O-N 3.49Å; L327-H329 VanDerWaalsContact C-N 3.33Å; L327-H329 PolarHBondContact O-N 2.87Å; L327-H330 CarbonylContact O-C 3.58Å; L327-H330 WeakPolarHBondContact O-CA 3.2Å; L327-H330 WeakPolarHBondContact O-CB 3.45Å; L327-H330 PolarHBondContact O-N 2.95Å; L327-Q331 HydrophobicContact CD1-CG 4.02Å; L327-Q331 HydrophobicContact CG-CG 4.42Å; L327-Q331 WeakPolarHBondContact O-CG 3.26Å; L327-Q331 PolarHBondContact O-N 3.35Å
328	I	91.6	Very high	91.4	Very high	88 Å²	88	69.3 Å²	69.3	45%	0.451	38%	0.379	S	S	.	.	H	α-helix	trans	-59	-44.4	177.6	-65.1	164.5	0	0	0	111	S324 S325 H330 Q331 R332	S324-I328 WeakPolarHBondContact O-CG1 3.42Å; S324-I328 PolarHBondContact O-N 3.31Å; S325-I328 PolarHBondContact O-N 3.5Å; I328-H330 PolarHBondContact O-N 3.38Å; I328-Q331 PolarHBondContact O-N 3.38Å; I328-R332 PolarHBondContact O-N 3.35Å
329	H	90.9	Very high	91.5	Very high	63 Å²	63	69.9 Å²	69.9	29%	0.292	37%	0.372	S	S	.	.	H	α-helix	trans	-65.9	-25	175.3	-73.1	-163.3	0	0	0	113.1	S325 L327 Q351	S325-H329 WeakPolarHBondContact O-CB 3.43Å; S325-H329 PolarHBondContact O-CD2 3.24Å; S325-H329 PolarHBondContact O-N 2.93Å; L327-H329 VanDerWaalsContact C-N 3.33Å; L327-H329 PolarHBondContact O-N 2.87Å; H329-Q351 PolarHBondContact ND1-OE1 3.45Å
330	H	92.8	Very high	91.6	Very high	20 Å²	20	67.5 Å²	67.5	9%	0.093	36%	0.361	C	S	.	.	H	α-helix	trans	-80.2	-40	175.6	174.5	50.9	0	0	0	112.6	C317 F321 T326 L327 I328 R332 I333	C317-H330 PolarHBondContact SG-NE2 2.82Å; F321-H330 HydrophobicContact CE1-CB 4.22Å; F321-H330 HydrophobicContact CE2-CB 4.01Å; F321-H330 AromaticContact CE2-CD2 3.3Å; F321-H330 WeakPolarHBondContact CE2-CD2 3.42Å; F321-H330 AromaticContact CE2-CG 3.79Å; F321-H330 HydrophobicContact CZ-CB 3.63Å; F321-H330 AromaticContact CZ-CD2 3.31Å; F321-H330 WeakPolarHBondContact CZ-CD2 3.49Å; F321-H330 AromaticContact CZ-CG 3.39Å; F321-H330 AromaticContact CZ-NE2 3.97Å; T326-H330 VanDerWaalsContact O-CB 3.31Å; T326-H330 WeakPolarHBondContact O-CB 3.41Å; T326-H330 PolarHBondContact O-N 2.93Å; L327-H330 CarbonylContact O-C 3.58Å; L327-H330 WeakPolarHBondContact O-CA 3.2Å; L327-H330 WeakPolarHBondContact O-CB 3.45Å; L327-H330 PolarHBondContact O-N 2.95Å; I328-H330 PolarHBondContact O-N 3.38Å; H330-R332 PolarHBondContact O-N 3.06Å; H330-I333 WeakPolarHBondContact O-CB 3.37Å; H330-I333 WeakPolarHBondContact O-CG1 3.33Å; H330-I333 PolarHBondContact O-N 3.49Å
331	Q	91.7	Very high	91.7	Very high	69 Å²	69	71.1 Å²	71.1	32%	0.322	37%	0.371	S	S	.	.	H	α-helix	trans	-59	-32.7	177.9	-70.9	173.4	-76.8	0	0	112.3	L327 I328 I333 H334 T335	L327-Q331 HydrophobicContact CD1-CG 4.02Å; L327-Q331 HydrophobicContact CG-CG 4.42Å; L327-Q331 WeakPolarHBondContact O-CG 3.26Å; L327-Q331 PolarHBondContact O-N 3.35Å; I328-Q331 PolarHBondContact O-N 3.38Å; Q331-I333 PolarHBondContact O-N 2.91Å; Q331-H334 PolarHBondContact O-N 3.29Å; Q331-T335 PolarHBondContact O-N 3.36Å; Q331-T335 VanDerWaalsContact O-N 3.09Å
332	R	92.7	Very high	91.9	Very high	41 Å²	41	68.9 Å²	68.9	16%	0.155	36%	0.361	C	S	.	.	H	α-helix	trans	-57.9	-17.3	170.7	-66.6	-171.9	178.3	145.3	6.4	114.9	I328 H330 G336 E337 S350	I328-R332 PolarHBondContact O-N 3.35Å; H330-R332 PolarHBondContact O-N 3.06Å; R332-G336 CarbonylContact O-C 3.59Å; R332-G336 WeakPolarHBondContact O-CA 3.28Å; R332-G336 PolarHBondContact O-N 3.14Å; R332-G336 VanDerWaalsContact O-N 3.1Å; R332-E337 HydrophobicContact CB-CB 4.19Å; R332-E337 HydrophobicContact CG-CB 3.92Å; R332-E337 IonicContact NE-OE2 3.71Å; R332-E337 PolarHBondContact O-N 3.24Å; R332-S350 PolarHBondContact NH1-O 3.46Å
333	I	92.1	Very high	92.1	Very high	115 Å²	115	74.9 Å²	74.9	59%	0.59	39%	0.39	S	S	*	.	H	α-helix	trans	-75.5	-32.4	173.6	-55.7	-179.5	0	0	0	110.6	H330 Q331	H330-I333 WeakPolarHBondContact O-CB 3.37Å; H330-I333 WeakPolarHBondContact O-CG1 3.33Å; H330-I333 PolarHBondContact O-N 3.49Å; Q331-I333 PolarHBondContact O-N 2.91Å
334	H	91.8	Very high	92.4	Very high	88 Å²	88	75.4 Å²	75.4	41%	0.407	40%	0.397	S	S	.	.	H	α-helix	trans	-82.1	-46.4	177.2	-54.6	-53.5	0	0	0	111.8	E316 C317 Q331 G336	E316-H334 IonicContact OE1-CD2 3.67Å; E316-H334 WeakPolarHBondContact OE2-CB 3.27Å; E316-H334 IonicContact OE2-CD2 3.12Å; E316-H334 IonicContact OE2-CG 3.89Å; C317-H334 WeakPolarHBondContact CB-NE2 3.3Å; C317-H334 PolarHBondContact SG-NE2 2.96Å; Q331-H334 PolarHBondContact O-N 3.29Å; H334-G336 PolarHBondContact O-N 3.49Å
335	T	91.8	Very high	92.5	Very high	81 Å²	81	74.8 Å²	74.8	50%	0.497	39%	0.393	S	S	.	.	H	α-helix	trans	-72.8	-15.8	177.4	65.8	0	0	0	0	113.4	Q331 E337	Q331-T335 PolarHBondContact O-N 3.36Å; Q331-T335 VanDerWaalsContact O-N 3.09Å; T335-E337 PolarHBondContact O-N 3.04Å; T335-E337 WeakPolarHBondContact OG1-CB 3.28Å; T335-E337 WeakPolarHBondContact OG1-CG 3.23Å; T335-E337 PolarHBondContact OG1-N 3.18Å
336	G	91.1	Very high	92.7	Very high	45 Å²	45	74 Å²	74	46%	0.464	39%	0.394	S	S	.	.			trans	74.1	2.3	-175.4	0	0	0	0	0	114.6	R332 H334 K338	R332-G336 CarbonylContact O-C 3.59Å; R332-G336 WeakPolarHBondContact O-CA 3.28Å; R332-G336 PolarHBondContact O-N 3.14Å; R332-G336 VanDerWaalsContact O-N 3.1Å; H334-G336 PolarHBondContact O-N 3.49Å; G336-K338 PolarHBondContact O-N 3.24Å
337	E	93	Very high	92.8	Very high	101 Å²	101	77 Å²	77	47%	0.472	40%	0.402	S	S	.	.			trans	-55.1	128.3	-176.7	-87.1	177.7	-149.5	0	0	113.6	R332 T335 S350	R332-E337 HydrophobicContact CB-CB 4.19Å; R332-E337 HydrophobicContact CG-CB 3.92Å; R332-E337 IonicContact NE-OE2 3.71Å; R332-E337 PolarHBondContact O-N 3.24Å; T335-E337 PolarHBondContact O-N 3.04Å; T335-E337 WeakPolarHBondContact OG1-CB 3.28Å; T335-E337 WeakPolarHBondContact OG1-CG 3.23Å; T335-E337 PolarHBondContact OG1-N 3.18Å; E337-S350 WeakPolarHBondContact O-CB 3.47Å
338	K	93.8	Very high	92.9	Very high	128 Å²	128	77.7 Å²	77.7	56%	0.557	41%	0.411	S	S	*	.			trans	-131.8	75.1	177.4	-71.6	161.6	176.5	179.9	0	110.9	G336 Y340 A348 F349	G336-K338 PolarHBondContact O-N 3.24Å; K338-Y340 PolarHBondContact O-N 3.31Å; K338-A348 HydrophobicContact CB-CB 3.58Å; K338-A348 HydrophobicContact CD-CB 4.26Å; K338-A348 WeakPolarHBondContact CD-O 3.42Å; K338-A348 HydrophobicContact CG-CB 4.49Å; K338-F349 CarbonylContact C-O 3.57Å; K338-F349 VanDerWaalsContact CA-O 3.23Å; K338-F349 WeakPolarHBondContact CA-O 3.38Å
339	P	92.6	Very high	93	Very high	71 Å²	71	75.7 Å²	75.7	46%	0.461	40%	0.399	S	S	.	.			trans	-70.3	-1.1	-171.4	-20	34.5	0	0	0	115.8
340	Y	95.2	Very high	93.1	Very high	74 Å²	74	74.2 Å²	74.2	29%	0.29	40%	0.396	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.5	94.5	-172.9	-52.3	-74.5	0	0	0	110.1	K338 A348 F349 S352	K338-Y340 PolarHBondContact O-N 3.31Å; Y340-A348 CarbonylContact O-C 3.12Å; Y340-A348 WeakPolarHBondContact O-CA 3.29Å; Y340-F349 WeakPolarHBondContact CD2-O 3.38Å; Y340-F349 PolarHBondContact N-O 3.5Å; Y340-F349 PolarHBondContact O-N 2.9Å; Y340-S352 VanDerWaalsContact CD2-N 3.3Å
341	E	95.3	Very high	93.1	Very high	116 Å²	116	75.7 Å²	75.7	54%	0.542	40%	0.403	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.6	145.8	-179.1	-166	171.7	160.5	0	0	113	G346 A348 L355	E341-G346 WeakPolarHBondContact OE1-CA 3.49Å; E341-A348 HydrophobicContact CB-CB 4.44Å; E341-A348 HydrophobicContact CG-CB 4.42Å; E341-L355 WeakPolarHBondContact O-CD2 3.42Å
342	C	95.1	Very high	93.2	Very high	2 Å²	2	75.6 Å²	75.6	1%	0.014	41%	0.41	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.6	104.4	172.5	-173.5	0	0	0	0	110.9	E344 C345 G346 K347 F349 L355 H362	C342-E344 PolarHBondContact O-N 3.35Å; C342-C345 PolarHBondContact O-N 3.38Å; C342-G346 PolarHBondContact O-N 3.22Å; C342-K347 HydrophobicContact CB-CB 4.48Å; C342-K347 WeakPolarHBondContact CB-O 3.35Å; C342-K347 PolarHBondContact N-O 3.43Å; C342-F349 HydrophobicContact CB-CE2 4.48Å; C342-L355 HydrophobicContact CB-CD1 3.54Å; C342-H362 PolarHBondContact SG-NE2 3.2Å
343	N	93.6	Very high	93.1	Very high	163 Å²	163	76.6 Å²	76.6	87%	0.872	42%	0.423	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.6	-23.6	-178.7	-60	-2.5	0	0	0	114.6
344	E	92.2	Very high	93.1	Very high	119 Å²	119	74.7 Å²	74.7	56%	0.556	41%	0.411	S	S	*	.	T	Hydrogen-bonded Turn	trans	-84.8	-18.3	-178.5	-64.3	176.8	-100.5	0	0	113.8	C342 H362	C342-E344 PolarHBondContact O-N 3.35Å; E344-H362 IonicContact OE1-CD2 3.58Å; E344-H362 PolarHBondContact OE1-CD2 2.97Å; E344-H362 IonicContact OE1-CG 3.91Å; E344-H362 VanDerWaalsContact OE2-CB 3.24Å; E344-H362 WeakPolarHBondContact OE2-CB 3.27Å; E344-H362 IonicContact OE2-CD2 3.91Å; E344-H362 IonicContact OE2-CG 3.52Å
345	C	94	Very high	93.2	Very high	47 Å²	47	71.7 Å²	71.7	32%	0.318	40%	0.398	S	S	.	.	T	Hydrogen-bonded Turn	trans	-151.2	8.2	-173.8	72.3	0	0	0	0	116.2	C342 K347 H358 H362	C342-C345 PolarHBondContact O-N 3.38Å; C345-K347 PolarHBondContact O-N 2.97Å; C345-K347 VanDerWaalsContact O-N 3.13Å; C345-H358 PolarHBondContact SG-NE2 2.88Å; C345-H362 WeakPolarHBondContact CB-CE1 3.43Å; C345-H362 PolarHBondContact SG-CE1 3.18Å; C345-H362 PolarHBondContact SG-NE2 3.26Å
346	G	91.9	Very high	93.3	Very high	45 Å²	45	74.1 Å²	74.1	46%	0.464	40%	0.399	S	S	.	.	T	Hydrogen-bonded Turn	trans	66.1	9.7	178.9	0	0	0	0	0	115.2	E341 C342 A348	E341-G346 WeakPolarHBondContact OE1-CA 3.49Å; C342-G346 PolarHBondContact O-N 3.22Å; G346-A348 PolarHBondContact O-N 2.67Å
347	K	94.1	Very high	93.3	Very high	120 Å²	120	75.5 Å²	75.5	52%	0.522	39%	0.393	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	114.8	-179.3	-72	179.8	-177	171.6	0	110.3	C342 C345 F349	C342-K347 HydrophobicContact CB-CB 4.48Å; C342-K347 WeakPolarHBondContact CB-O 3.35Å; C342-K347 PolarHBondContact N-O 3.43Å; C345-K347 PolarHBondContact O-N 2.97Å; C345-K347 VanDerWaalsContact O-N 3.13Å; K347-F349 HydrophobicContact CB-CE2 3.88Å; K347-F349 HydrophobicContact CB-CZ 4.13Å; K347-F349 WeakPolarHBondContact O-CD2 3.46Å; K347-F349 WeakPolarHBondContact O-CE2 3.2Å
348	A	94.9	Very high	93.3	Very high	35 Å²	35	71.5 Å²	71.5	29%	0.289	37%	0.374	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	141.1	178.6	0	0	0	0	0	113.1	K338 Y340 E341 G346	K338-A348 HydrophobicContact CB-CB 3.58Å; K338-A348 HydrophobicContact CD-CB 4.26Å; K338-A348 WeakPolarHBondContact CD-O 3.42Å; K338-A348 HydrophobicContact CG-CB 4.49Å; Y340-A348 CarbonylContact O-C 3.12Å; Y340-A348 WeakPolarHBondContact O-CA 3.29Å; E341-A348 HydrophobicContact CB-CB 4.44Å; E341-A348 HydrophobicContact CG-CB 4.42Å; G346-A348 PolarHBondContact O-N 2.67Å
349	F	93.4	Very high	93.3	Very high	47 Å²	47	69 Å²	69	21%	0.206	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	149.8	-176.7	-60.3	-92	0	0	0	111.5	K338 Y340 C342 K347 Q351 H354 L355 H358	K338-F349 CarbonylContact C-O 3.57Å; K338-F349 VanDerWaalsContact CA-O 3.23Å; K338-F349 WeakPolarHBondContact CA-O 3.38Å; Y340-F349 WeakPolarHBondContact CD2-O 3.38Å; Y340-F349 PolarHBondContact N-O 3.5Å; Y340-F349 PolarHBondContact O-N 2.9Å; C342-F349 HydrophobicContact CB-CE2 4.48Å; K347-F349 HydrophobicContact CB-CE2 3.88Å; K347-F349 HydrophobicContact CB-CZ 4.13Å; K347-F349 WeakPolarHBondContact O-CD2 3.46Å; K347-F349 WeakPolarHBondContact O-CE2 3.2Å; F349-Q351 VanDerWaalsContact C-N 3.34Å; F349-H354 HydrophobicContact CB-CB 4.24Å; F349-H354 HydrophobicContact CD1-CB 3.78Å; F349-H354 HydrophobicContact CG-CB 4.24Å; F349-L355 HydrophobicContact CB-CB 4.48Å; F349-L355 HydrophobicContact CD2-CB 4.02Å; F349-L355 HydrophobicContact CD2-CD1 4.05Å; F349-L355 HydrophobicContact CE2-CD1 4.2Å; F349-L355 HydrophobicContact CG-CB 4.43Å; F349-H358 HydrophobicContact CE1-CB 4.16Å; F349-H358 HydrophobicContact CE2-CB 3.92Å; F349-H358 AromaticContact CE2-CD2 3.4Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.38Å; F349-H358 AromaticContact CE2-CG 3.81Å; F349-H358 HydrophobicContact CZ-CB 3.53Å; F349-H358 AromaticContact CZ-CD2 3.41Å; F349-H358 VanDerWaalsContact CZ-CD2 3.41Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.48Å; F349-H358 AromaticContact CZ-CG 3.41Å; F349-H358 VanDerWaalsContact CZ-CG 3.41Å
350	S	92.6	Very high	93.2	Very high	31 Å²	31	67 Å²	67	22%	0.217	35%	0.348	C	S	.	.	S	Bend	trans	-81.8	-9	177.7	56.3	0	0	0	0	114.3	R332 E337	R332-S350 PolarHBondContact NH1-O 3.46Å; E337-S350 WeakPolarHBondContact O-CB 3.47Å
351	Q	91.8	Very high	93	Very high	52 Å²	52	68.4 Å²	68.4	24%	0.243	36%	0.359	C	S	.	.	S	Bend	trans	-140.7	138.8	177.6	-55.6	-174.4	33	0	0	110.8	H329 F349 S353 H354 L355	H329-Q351 PolarHBondContact ND1-OE1 3.45Å; F349-Q351 VanDerWaalsContact C-N 3.34Å; Q351-S353 VanDerWaalsContact C-N 3.29Å; Q351-S353 PolarHBondContact O-N 2.8Å; Q351-H354 PolarHBondContact O-N 2.94Å; Q351-L355 PolarHBondContact O-N 2.87Å
352	S	93.8	Very high	92.8	Very high	67 Å²	67	66.4 Å²	66.4	47%	0.469	35%	0.35	S	S	.	.	H	α-helix	trans	-64.7	-30.9	-179.9	50.8	0	0	0	0	113.4	Y340 H354 L355 Y356	Y340-S352 VanDerWaalsContact CD2-N 3.3Å; S352-H354 VanDerWaalsContact C-N 3.29Å; S352-H354 PolarHBondContact O-N 2.94Å; S352-L355 PolarHBondContact O-N 3.01Å; S352-Y356 PolarHBondContact O-N 3.3Å
353	S	91.9	Very high	92.6	Very high	61 Å²	61	70.3 Å²	70.3	43%	0.427	37%	0.374	S	S	.	.	H	α-helix	trans	-56.6	-41.6	172.3	48	0	0	0	0	112.4	Q351 Q357	Q351-S353 VanDerWaalsContact C-N 3.29Å; Q351-S353 PolarHBondContact O-N 2.8Å; S353-Q357 VanDerWaalsContact O-CB 3.23Å; S353-Q357 WeakPolarHBondContact O-CB 3.34Å; S353-Q357 PolarHBondContact O-N 3.39Å
354	H	92.1	Very high	92.3	Very high	76 Å²	76	64.8 Å²	64.8	35%	0.352	36%	0.356	S	S	.	.	H	α-helix	trans	-72.9	-33.9	178.3	-59.2	154.4	0	0	0	112.2	F349 Q351 S352 H358	F349-H354 HydrophobicContact CB-CB 4.24Å; F349-H354 HydrophobicContact CD1-CB 3.78Å; F349-H354 HydrophobicContact CG-CB 4.24Å; Q351-H354 PolarHBondContact O-N 2.94Å; S352-H354 VanDerWaalsContact C-N 3.29Å; S352-H354 PolarHBondContact O-N 2.94Å; H354-H358 VanDerWaalsContact O-CB 3.24Å; H354-H358 WeakPolarHBondContact O-CB 3.33Å; H354-H358 PolarHBondContact O-N 3.02Å
355	L	94.3	Very high	92.3	Very high	24 Å²	24	63.3 Å²	63.3	13%	0.126	35%	0.349	C	S	.	.	H	α-helix	trans	-63.8	-50.4	171.3	172.4	60.5	0	0	0	111	E341 C342 F349 Q351 S352 Q357 H358 Q359	E341-L355 WeakPolarHBondContact O-CD2 3.42Å; C342-L355 HydrophobicContact CB-CD1 3.54Å; F349-L355 HydrophobicContact CB-CB 4.48Å; F349-L355 HydrophobicContact CD2-CB 4.02Å; F349-L355 HydrophobicContact CD2-CD1 4.05Å; F349-L355 HydrophobicContact CE2-CD1 4.2Å; F349-L355 HydrophobicContact CG-CB 4.43Å; Q351-L355 PolarHBondContact O-N 2.87Å; S352-L355 PolarHBondContact O-N 3.01Å; L355-Q357 VanDerWaalsContact C-N 3.31Å; L355-Q357 PolarHBondContact O-N 3.47Å; L355-H358 WeakPolarHBondContact O-CA 3.42Å; L355-H358 WeakPolarHBondContact O-CB 3.36Å; L355-H358 PolarHBondContact O-N 2.88Å; L355-Q359 HydrophobicContact CD1-CG 4.31Å; L355-Q359 WeakPolarHBondContact O-CG 3.27Å; L355-Q359 PolarHBondContact O-N 3.06Å
356	Y	92.8	Very high	92.2	Very high	132 Å²	132	66.8 Å²	66.8	52%	0.518	36%	0.358	S	S	.	.	H	α-helix	trans	-60.9	-40.2	177.6	176	-108.5	0	0	0	112.2	S352 H358 Q359	S352-Y356 PolarHBondContact O-N 3.3Å; Y356-H358 VanDerWaalsContact C-N 3.31Å; Y356-H358 PolarHBondContact O-N 3.16Å; Y356-Q359 PolarHBondContact O-N 2.94Å
357	Q	91.6	Very high	92.2	Very high	74 Å²	74	67.9 Å²	67.9	35%	0.346	36%	0.357	S	S	.	.	H	α-helix	trans	-63	-36.5	172.2	-176.6	177.9	6.5	0	0	112.4	S353 L355 Y379	S353-Q357 VanDerWaalsContact O-CB 3.23Å; S353-Q357 WeakPolarHBondContact O-CB 3.34Å; S353-Q357 PolarHBondContact O-N 3.39Å; L355-Q357 VanDerWaalsContact C-N 3.31Å; L355-Q357 PolarHBondContact O-N 3.47Å; Q357-Y379 HydrophobicContact CG-CD1 3.78Å; Q357-Y379 HydrophobicContact CG-CE1 3.28Å; Q357-Y379 VanDerWaalsContact NE2-CE1 3.29Å
358	H	93.1	Very high	92.2	Very high	17 Å²	17	65.7 Å²	65.7	8%	0.079	35%	0.347	C	S	.	.	H	α-helix	trans	-71.2	-37.2	177.9	175.3	45	0	0	0	113.1	C345 F349 H354 L355 Y356 R360 I361 H362	C345-H358 PolarHBondContact SG-NE2 2.88Å; F349-H358 HydrophobicContact CE1-CB 4.16Å; F349-H358 HydrophobicContact CE2-CB 3.92Å; F349-H358 AromaticContact CE2-CD2 3.4Å; F349-H358 WeakPolarHBondContact CE2-CD2 3.38Å; F349-H358 AromaticContact CE2-CG 3.81Å; F349-H358 HydrophobicContact CZ-CB 3.53Å; F349-H358 AromaticContact CZ-CD2 3.41Å; F349-H358 VanDerWaalsContact CZ-CD2 3.41Å; F349-H358 WeakPolarHBondContact CZ-CD2 3.48Å; F349-H358 AromaticContact CZ-CG 3.41Å; F349-H358 VanDerWaalsContact CZ-CG 3.41Å; H354-H358 VanDerWaalsContact O-CB 3.24Å; H354-H358 WeakPolarHBondContact O-CB 3.33Å; H354-H358 PolarHBondContact O-N 3.02Å; L355-H358 WeakPolarHBondContact O-CA 3.42Å; L355-H358 WeakPolarHBondContact O-CB 3.36Å; L355-H358 PolarHBondContact O-N 2.88Å; Y356-H358 VanDerWaalsContact C-N 3.31Å; Y356-H358 PolarHBondContact O-N 3.16Å; H358-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact O-N 3.11Å; H358-I361 VanDerWaalsContact O-CB 3.29Å; H358-I361 WeakPolarHBondContact O-CB 3.26Å; H358-I361 WeakPolarHBondContact O-CG1 3.4Å; H358-I361 PolarHBondContact O-N 3.39Å; H358-H362 AromaticContact CD2-NE2 3.75Å; H358-H362 AromaticContact CE1-NE2 3.81Å; H358-H362 AromaticContact NE2-NE2 3.09Å; H358-H362 PolarHBondContact NE2-NE2 3.03Å
359	Q	92.6	Very high	92.2	Very high	75 Å²	75	68.1 Å²	68.1	35%	0.35	35%	0.352	S	S	.	.	H	α-helix	trans	-57.1	-27.7	179.5	-74.1	173.6	-64.6	0	0	112.9	L355 Y356 I361 H362 T363	L355-Q359 HydrophobicContact CD1-CG 4.31Å; L355-Q359 WeakPolarHBondContact O-CG 3.27Å; L355-Q359 PolarHBondContact O-N 3.06Å; Y356-Q359 PolarHBondContact O-N 2.94Å; Q359-I361 PolarHBondContact O-N 3.34Å; Q359-I361 VanDerWaalsContact O-N 3.14Å; Q359-H362 PolarHBondContact O-N 3.46Å; Q359-T363 PolarHBondContact O-N 2.96Å
360	R	92.1	Very high	92.2	Very high	30 Å²	30	66 Å²	66	11%	0.113	34%	0.342	C	S	.	.	H	α-helix	trans	-61.4	-18.1	172.8	-59.8	-175.1	174.7	172.4	0.7	114.8	H358 H362 G364 E365 Y368 T378	H358-R360 PolarHBondContact O-N 3.17Å; H358-R360 VanDerWaalsContact O-N 3.11Å; R360-H362 VanDerWaalsContact C-N 3.35Å; R360-G364 CarbonylContact O-C 3.18Å; R360-G364 WeakPolarHBondContact O-CA 3.43Å; R360-G364 PolarHBondContact O-N 3.39Å; R360-G364 VanDerWaalsContact O-N 3.12Å; R360-E365 HydrophobicContact CB-CB 4.17Å; R360-E365 HydrophobicContact CG-CB 4.11Å; R360-E365 IonicContact NE-OE2 3.74Å; R360-E365 PolarHBondContact O-N 2.99Å; R360-Y368 PolarHBondContact NH1-OH 3.09Å; R360-T378 HydrophobicContact CB-CG2 3.57Å; R360-T378 HydrophobicContact CG-CG2 4.49Å; R360-T378 PolarHBondContact NH1-O 3Å
361	I	90.2	Very high	92.3	Very high	103 Å²	103	73 Å²	73	53%	0.528	37%	0.374	S	S	.	.	H	α-helix	trans	-72.4	-32.8	173	-57.7	-174.5	0	0	0	110.5	H358 Q359	H358-I361 VanDerWaalsContact O-CB 3.29Å; H358-I361 WeakPolarHBondContact O-CB 3.26Å; H358-I361 WeakPolarHBondContact O-CG1 3.4Å; H358-I361 PolarHBondContact O-N 3.39Å; Q359-I361 PolarHBondContact O-N 3.34Å; Q359-I361 VanDerWaalsContact O-N 3.14Å
362	H	91.1	Very high	92.2	Very high	75 Å²	75	76 Å²	76	35%	0.347	39%	0.388	S	S	.	.	H	α-helix	trans	-84.6	-44.3	178.1	-54.4	-55.4	0	0	0	112	C342 E344 C345 H358 Q359 R360 G364	C342-H362 PolarHBondContact SG-NE2 3.2Å; E344-H362 IonicContact OE1-CD2 3.58Å; E344-H362 PolarHBondContact OE1-CD2 2.97Å; E344-H362 IonicContact OE1-CG 3.91Å; E344-H362 VanDerWaalsContact OE2-CB 3.24Å; E344-H362 WeakPolarHBondContact OE2-CB 3.27Å; E344-H362 IonicContact OE2-CD2 3.91Å; E344-H362 IonicContact OE2-CG 3.52Å; C345-H362 WeakPolarHBondContact CB-CE1 3.43Å; C345-H362 PolarHBondContact SG-CE1 3.18Å; C345-H362 PolarHBondContact SG-NE2 3.26Å; H358-H362 AromaticContact CD2-NE2 3.75Å; H358-H362 AromaticContact CE1-NE2 3.81Å; H358-H362 AromaticContact NE2-NE2 3.09Å; H358-H362 PolarHBondContact NE2-NE2 3.03Å; Q359-H362 PolarHBondContact O-N 3.46Å; R360-H362 VanDerWaalsContact C-N 3.35Å; H362-G364 PolarHBondContact O-N 3.49Å
363	T	90.1	Very high	92.2	Very high	83 Å²	83	75.9 Å²	75.9	51%	0.509	39%	0.386	S	S	.	.	H	α-helix	trans	-72.7	-12.7	176.9	66.4	0	0	0	0	113.6	Q359 E365	Q359-T363 PolarHBondContact O-N 2.96Å; T363-E365 PolarHBondContact O-N 3.27Å; T363-E365 WeakPolarHBondContact OG1-CG 3.36Å; T363-E365 PolarHBondContact OG1-N 3Å
364	G	88.8	Confident	92.2	Very high	48 Å²	48	74.6 Å²	74.6	50%	0.495	38%	0.383	S	S	.	.			trans	70.5	6.1	-176	0	0	0	0	0	114.6	R360 H362 K366	R360-G364 CarbonylContact O-C 3.18Å; R360-G364 WeakPolarHBondContact O-CA 3.43Å; R360-G364 PolarHBondContact O-N 3.39Å; R360-G364 VanDerWaalsContact O-N 3.12Å; H362-G364 PolarHBondContact O-N 3.49Å; G364-K366 PolarHBondContact O-N 3.29Å
365	E	91.2	Very high	92.2	Very high	88 Å²	88	72 Å²	72	41%	0.411	38%	0.377	S	S	.	.			trans	-55.9	129.3	-176.4	-87.2	176.9	-148.3	0	0	113	R360 T363 P367	R360-E365 HydrophobicContact CB-CB 4.17Å; R360-E365 HydrophobicContact CG-CB 4.11Å; R360-E365 IonicContact NE-OE2 3.74Å; R360-E365 PolarHBondContact O-N 2.99Å; T363-E365 PolarHBondContact O-N 3.27Å; T363-E365 WeakPolarHBondContact OG1-CG 3.36Å; T363-E365 PolarHBondContact OG1-N 3Å; E365-P367 HydrophobicContact CB-CG 4.38Å
366	K	92.1	Very high	92.2	Very high	119 Å²	119	76 Å²	76	52%	0.517	39%	0.393	S	S	.	.			trans	-128.5	74.6	174.8	-70.3	171.9	178.4	-176.1	0	110.5	G364 Y368 K376 F377	G364-K366 PolarHBondContact O-N 3.29Å; K366-Y368 PolarHBondContact O-N 3.18Å; K366-K376 HydrophobicContact CB-CB 3.79Å; K366-K376 HydrophobicContact CD-CB 4.23Å; K366-F377 CarbonylContact C-O 3.5Å; K366-F377 VanDerWaalsContact C-O 3.24Å; K366-F377 VanDerWaalsContact CA-O 3.28Å; K366-F377 WeakPolarHBondContact CA-O 3.48Å
367	P	91.6	Very high	92.1	Very high	68 Å²	68	72.1 Å²	72.1	44%	0.442	38%	0.379	S	S	.	.			trans	-74.3	-3.5	-169.4	-18.2	34.2	0	0	0	115.1	E365	E365-P367 HydrophobicContact CB-CG 4.38Å
368	Y	93.8	Very high	92.1	Very high	75 Å²	75	70.1 Å²	70.1	29%	0.294	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.1	116.4	-177.1	-50.8	-75.5	0	0	0	109.4	R360 K366 K376 F377 T378 S380	R360-Y368 PolarHBondContact NH1-OH 3.09Å; K366-Y368 PolarHBondContact O-N 3.18Å; Y368-K376 CarbonylContact O-C 3.58Å; Y368-K376 WeakPolarHBondContact O-CA 3.38Å; Y368-F377 WeakPolarHBondContact CD2-O 3.41Å; Y368-F377 PolarHBondContact N-O 3.07Å; Y368-F377 PolarHBondContact O-N 2.92Å; Y368-T378 WeakPolarHBondContact CE2-O 3.48Å; Y368-S380 VanDerWaalsContact CD2-N 3.26Å; Y368-S380 VanDerWaalsContact CE2-N 3.32Å
369	E	94.9	Very high	91.9	Very high	86 Å²	86	73 Å²	73	40%	0.402	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	139.3	-175.1	-176.8	158.3	-172	0	0	110.8	G375 K376	E369-G375 CarbonylContact C-O 3.56Å; E369-G375 WeakPolarHBondContact CA-O 3.3Å; E369-K376 HydrophobicContact CB-CG 4.45Å; E369-K376 HydrophobicContact CG-CD 4.48Å; E369-K376 HydrophobicContact CG-CG 4.14Å; E369-K376 WeakPolarHBondContact OE1-CE 3.34Å; E369-K376 IonicContact OE1-NZ 3.41Å; E369-K376 PolarHBondContact OE1-NZ 3.13Å; E369-K376 WeakPolarHBondContact OE2-CE 3.45Å; E369-K376 IonicContact OE2-NZ 3.76Å; E369-K376 PolarHBondContact OE2-NZ 3.18Å
370	C	94.9	Very high	91.9	Very high	1 Å²	1	72.2 Å²	72.2	1%	0.007	39%	0.385	C	S	.	.			trans	-84.7	115.2	175.2	-175	0	0	0	0	110.1	E372 C373 G374 G375 F377 L383	C370-E372 PolarHBondContact O-N 3.31Å; C370-E372 VanDerWaalsContact O-N 3.13Å; C370-C373 PolarHBondContact O-N 2.62Å; C370-G374 WeakPolarHBondContact O-CA 3.45Å; C370-G374 PolarHBondContact O-N 3.29Å; C370-G375 PolarHBondContact N-O 2.93Å; C370-F377 HydrophobicContact CB-CE2 4.46Å; C370-L383 HydrophobicContact CB-CD1 3.57Å
371	M	92.9	Very high	91.8	Very high	178 Å²	178	74.3 Å²	74.3	88%	0.877	41%	0.405	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.6	-19.3	-178.8	-57.7	-56.7	-64.7	0	0	113.8
372	E	91.1	Very high	91.9	Very high	117 Å²	117	70.3 Å²	70.3	55%	0.547	39%	0.389	S	S	.	.	T	Hydrogen-bonded Turn	trans	-89.5	-22.4	-176.3	-64.8	163.8	-111.7	0	0	113.2	C370 H390	C370-E372 PolarHBondContact O-N 3.31Å; C370-E372 VanDerWaalsContact O-N 3.13Å; E372-H390 IonicContact OE1-CD2 3.27Å; E372-H390 WeakPolarHBondContact OE2-CB 3.19Å; E372-H390 IonicContact OE2-CD2 3.51Å; E372-H390 PolarHBondContact OE2-CD2 3.08Å; E372-H390 IonicContact OE2-CG 3.89Å
373	C	93.2	Very high	92	Very high	63 Å²	63	67.9 Å²	67.9	43%	0.426	38%	0.378	S	S	.	.	T	Hydrogen-bonded Turn	trans	-143.7	0.6	-174.8	72.6	0	0	0	0	115.9	C370 G375 H386 H390	C370-C373 PolarHBondContact O-N 2.62Å; C373-G375 PolarHBondContact O-N 2.91Å; C373-G375 PolarHBondContact SG-N 2.64Å; C373-G375 VanDerWaalsContact SG-N 3.45Å; C373-H386 PolarHBondContact SG-NE2 2.92Å; C373-H390 WeakPolarHBondContact CB-NE2 3.49Å
374	G	91.3	Very high	92	Very high	35 Å²	35	68.5 Å²	68.5	36%	0.361	38%	0.377	S	S	.	.			trans	70.5	5	-176	0	0	0	0	0	115.1	C370 K376	C370-G374 WeakPolarHBondContact O-CA 3.45Å; C370-G374 PolarHBondContact O-N 3.29Å; G374-K376 VanDerWaalsContact O-CG 3.23Å; G374-K376 WeakPolarHBondContact O-CG 3.49Å; G374-K376 PolarHBondContact O-N 2.94Å
375	G	92.4	Very high	92.1	Very high	21 Å²	21	70.4 Å²	70.4	22%	0.216	37%	0.373	C	S	.	.			trans	-62.9	123.3	-179.2	0	0	0	0	0	112.1	E369 C370 C373 F377	E369-G375 CarbonylContact C-O 3.56Å; E369-G375 WeakPolarHBondContact CA-O 3.3Å; C370-G375 PolarHBondContact N-O 2.93Å; C373-G375 PolarHBondContact O-N 2.91Å; C373-G375 PolarHBondContact SG-N 2.64Å; C373-G375 VanDerWaalsContact SG-N 3.45Å; G375-F377 WeakPolarHBondContact O-CD2 3.42Å; G375-F377 WeakPolarHBondContact O-CE2 3.45Å
376	K	94.1	Very high	92.1	Very high	108 Å²	108	67.9 Å²	67.9	47%	0.47	36%	0.361	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.2	135.1	-174.9	-44.1	-161.2	-171.1	-138.4	0	112.6	K366 Y368 E369 G374	K366-K376 HydrophobicContact CB-CB 3.79Å; K366-K376 HydrophobicContact CD-CB 4.23Å; Y368-K376 CarbonylContact O-C 3.58Å; Y368-K376 WeakPolarHBondContact O-CA 3.38Å; E369-K376 HydrophobicContact CB-CG 4.45Å; E369-K376 HydrophobicContact CG-CD 4.48Å; E369-K376 HydrophobicContact CG-CG 4.14Å; E369-K376 WeakPolarHBondContact OE1-CE 3.34Å; E369-K376 IonicContact OE1-NZ 3.41Å; E369-K376 PolarHBondContact OE1-NZ 3.13Å; E369-K376 WeakPolarHBondContact OE2-CE 3.45Å; E369-K376 IonicContact OE2-NZ 3.76Å; E369-K376 PolarHBondContact OE2-NZ 3.18Å; G374-K376 VanDerWaalsContact O-CG 3.23Å; G374-K376 WeakPolarHBondContact O-CG 3.49Å; G374-K376 PolarHBondContact O-N 2.94Å
377	F	92.1	Very high	92	Very high	51 Å²	51	65.5 Å²	65.5	22%	0.224	35%	0.352	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	143.5	-171.8	-58.2	-85.8	0	0	0	112	K366 Y368 C370 G375 Y379 L383 H386	K366-F377 CarbonylContact C-O 3.5Å; K366-F377 VanDerWaalsContact C-O 3.24Å; K366-F377 VanDerWaalsContact CA-O 3.28Å; K366-F377 WeakPolarHBondContact CA-O 3.48Å; Y368-F377 WeakPolarHBondContact CD2-O 3.41Å; Y368-F377 PolarHBondContact N-O 3.07Å; Y368-F377 PolarHBondContact O-N 2.92Å; C370-F377 HydrophobicContact CB-CE2 4.46Å; G375-F377 WeakPolarHBondContact O-CD2 3.42Å; G375-F377 WeakPolarHBondContact O-CE2 3.45Å; F377-Y379 VanDerWaalsContact C-N 3.32Å; F377-L383 HydrophobicContact CB-CB 4.44Å; F377-L383 HydrophobicContact CD2-CB 3.93Å; F377-L383 HydrophobicContact CD2-CD1 3.98Å; F377-L383 HydrophobicContact CE2-CD1 4.07Å; F377-L383 HydrophobicContact CG-CB 4.33Å; F377-H386 HydrophobicContact CE1-CB 3.96Å; F377-H386 HydrophobicContact CE2-CB 3.97Å; F377-H386 AromaticContact CE2-CD2 3.65Å; F377-H386 AromaticContact CE2-CG 3.78Å; F377-H386 HydrophobicContact CZ-CB 3.47Å; F377-H386 VanDerWaalsContact CZ-CB 3.47Å; F377-H386 AromaticContact CZ-CD2 3.59Å; F377-H386 AromaticContact CZ-CG 3.27Å; F377-H386 AromaticContact CZ-ND1 3.63Å
378	T	90.9	Very high	92	Very high	32 Å²	32	64.4 Å²	64.4	20%	0.196	34%	0.339	C	S	.	.	S	Bend	trans	-72.3	-25.9	177	-48.3	0	0	0	0	112.6	R360 Y368	R360-T378 HydrophobicContact CB-CG2 3.57Å; R360-T378 HydrophobicContact CG-CG2 4.49Å; R360-T378 PolarHBondContact NH1-O 3Å; Y368-T378 WeakPolarHBondContact CE2-O 3.48Å
379	Y	89.2	Confident	91.8	Very high	78 Å²	78	64.3 Å²	64.3	31%	0.306	34%	0.343	S	S	.	.	S	Bend	trans	-131.8	141.3	-175.9	-45.6	-45.1	0	0	0	111.7	Q357 F377 S381 G382 L383	Q357-Y379 HydrophobicContact CG-CD1 3.78Å; Q357-Y379 HydrophobicContact CG-CE1 3.28Å; Q357-Y379 VanDerWaalsContact NE2-CE1 3.29Å; F377-Y379 VanDerWaalsContact C-N 3.32Å; Y379-S381 VanDerWaalsContact C-N 3.3Å; Y379-S381 PolarHBondContact O-N 2.71Å; Y379-G382 PolarHBondContact O-N 3.22Å; Y379-L383 PolarHBondContact O-N 3.1Å
380	S	92.1	Very high	91.6	Very high	57 Å²	57	64.6 Å²	64.6	40%	0.399	34%	0.344	S	S	.	.	H	α-helix	trans	-63.5	-33	179.1	51.6	0	0	0	0	113.1	Y368 G382 L383 I384	Y368-S380 VanDerWaalsContact CD2-N 3.26Å; Y368-S380 VanDerWaalsContact CE2-N 3.32Å; S380-G382 PolarHBondContact O-N 3.42Å; S380-L383 PolarHBondContact O-N 3.12Å; S380-I384 WeakPolarHBondContact O-CG1 3.39Å; S380-I384 PolarHBondContact O-N 3.12Å
381	S	90.5	Very high	91.3	Very high	75 Å²	75	68.4 Å²	68.4	52%	0.524	37%	0.367	S	S	.	.	H	α-helix	trans	-60.9	-33.4	172.2	51	0	0	0	0	112.7	Y379 Q385	Y379-S381 VanDerWaalsContact C-N 3.3Å; Y379-S381 PolarHBondContact O-N 2.71Å; S381-Q385 WeakPolarHBondContact O-CB 3.48Å; S381-Q385 PolarHBondContact O-N 3.17Å
382	G	91	Very high	91	Very high	19 Å²	19	61.6 Å²	61.6	20%	0.196	34%	0.343	C	S	.	.	H	α-helix	trans	-68.5	-41.9	174.1	0	0	0	0	0	112.2	Y379 S380 Q385 H386	Y379-G382 PolarHBondContact O-N 3.22Å; S380-G382 PolarHBondContact O-N 3.42Å; G382-Q385 PolarHBondContact O-N 3.39Å; G382-H386 VanDerWaalsContact O-CB 3.27Å; G382-H386 WeakPolarHBondContact O-CB 3.44Å; G382-H386 PolarHBondContact O-N 3.49Å
383	L	93.3	Very high	90.9	Very high	24 Å²	24	60.6 Å²	60.6	13%	0.126	34%	0.338	C	S	.	.	H	α-helix	trans	-62.4	-49.6	173.2	174	59	0	0	0	111.5	C370 F377 Y379 S380 Q385 H386 Q387	C370-L383 HydrophobicContact CB-CD1 3.57Å; F377-L383 HydrophobicContact CB-CB 4.44Å; F377-L383 HydrophobicContact CD2-CB 3.93Å; F377-L383 HydrophobicContact CD2-CD1 3.98Å; F377-L383 HydrophobicContact CE2-CD1 4.07Å; F377-L383 HydrophobicContact CG-CB 4.33Å; Y379-L383 PolarHBondContact O-N 3.1Å; S380-L383 PolarHBondContact O-N 3.12Å; L383-Q385 VanDerWaalsContact C-N 3.3Å; L383-Q385 PolarHBondContact O-N 3.37Å; L383-H386 CarbonylContact O-C 3.56Å; L383-H386 WeakPolarHBondContact O-CA 3.32Å; L383-H386 WeakPolarHBondContact O-CB 3.37Å; L383-H386 PolarHBondContact O-N 3.42Å; L383-Q387 HydrophobicContact CD1-CG 4.06Å; L383-Q387 HydrophobicContact CG-CG 4.48Å; L383-Q387 WeakPolarHBondContact O-CG 3.47Å; L383-Q387 PolarHBondContact O-N 3.38Å
384	I	90.8	Very high	90.8	Very high	96 Å²	96	61 Å²	61	49%	0.492	34%	0.336	S	S	.	.	H	α-helix	trans	-60.6	-41	178.3	-66.4	162.5	0	0	0	111	S380 H386 Q387	S380-I384 WeakPolarHBondContact O-CG1 3.39Å; S380-I384 PolarHBondContact O-N 3.12Å; I384-H386 VanDerWaalsContact C-N 3.29Å; I384-H386 PolarHBondContact O-N 3.01Å; I384-Q387 PolarHBondContact O-N 3.38Å
385	Q	90	Very high	90.7	Very high	88 Å²	88	62.6 Å²	62.6	41%	0.411	34%	0.34	S	S	.	.	H	α-helix	trans	-64.2	-34.6	175	-179.2	176	7.5	0	0	112.4	S381 G382 L383 Y407	S381-Q385 WeakPolarHBondContact O-CB 3.48Å; S381-Q385 PolarHBondContact O-N 3.17Å; G382-Q385 PolarHBondContact O-N 3.39Å; L383-Q385 VanDerWaalsContact C-N 3.3Å; L383-Q385 PolarHBondContact O-N 3.37Å; Q385-Y407 HydrophobicContact CG-CD1 3.72Å; Q385-Y407 HydrophobicContact CG-CE1 3.37Å; Q385-Y407 VanDerWaalsContact NE2-CE1 3.3Å
386	H	91.1	Very high	90.7	Very high	34 Å²	34	65.2 Å²	65.2	16%	0.157	34%	0.344	C	S	.	.	H	α-helix	trans	-75.6	-38.1	177.4	172.6	79.9	0	0	0	113	C373 F377 G382 L383 I384 R388 I389	C373-H386 PolarHBondContact SG-NE2 2.92Å; F377-H386 HydrophobicContact CE1-CB 3.96Å; F377-H386 HydrophobicContact CE2-CB 3.97Å; F377-H386 AromaticContact CE2-CD2 3.65Å; F377-H386 AromaticContact CE2-CG 3.78Å; F377-H386 HydrophobicContact CZ-CB 3.47Å; F377-H386 VanDerWaalsContact CZ-CB 3.47Å; F377-H386 AromaticContact CZ-CD2 3.59Å; F377-H386 AromaticContact CZ-CG 3.27Å; F377-H386 AromaticContact CZ-ND1 3.63Å; G382-H386 VanDerWaalsContact O-CB 3.27Å; G382-H386 WeakPolarHBondContact O-CB 3.44Å; G382-H386 PolarHBondContact O-N 3.49Å; L383-H386 CarbonylContact O-C 3.56Å; L383-H386 WeakPolarHBondContact O-CA 3.32Å; L383-H386 WeakPolarHBondContact O-CB 3.37Å; L383-H386 PolarHBondContact O-N 3.42Å; I384-H386 VanDerWaalsContact C-N 3.29Å; I384-H386 PolarHBondContact O-N 3.01Å; H386-R388 PolarHBondContact O-N 2.85Å; H386-R388 VanDerWaalsContact O-N 3.14Å; H386-I389 WeakPolarHBondContact O-CB 3.38Å; H386-I389 VanDerWaalsContact O-CG1 3.25Å; H386-I389 WeakPolarHBondContact O-CG1 3.35Å; H386-I389 PolarHBondContact O-N 3.21Å
387	Q	91.1	Very high	90.6	Very high	69 Å²	69	66.3 Å²	66.3	32%	0.322	35%	0.351	S	S	.	.	H	α-helix	trans	-58.8	-28.7	178.6	-73.2	174.3	-73.5	0	0	112.9	L383 I384 I389 H390 T391	L383-Q387 HydrophobicContact CD1-CG 4.06Å; L383-Q387 HydrophobicContact CG-CG 4.48Å; L383-Q387 WeakPolarHBondContact O-CG 3.47Å; L383-Q387 PolarHBondContact O-N 3.38Å; I384-Q387 PolarHBondContact O-N 3.38Å; Q387-I389 PolarHBondContact O-N 3.06Å; Q387-I389 VanDerWaalsContact O-N 3.09Å; Q387-H390 PolarHBondContact O-N 3.3Å; Q387-T391 PolarHBondContact O-N 3.15Å
388	R	91.3	Very high	90.7	Very high	46 Å²	46	63.9 Å²	63.9	17%	0.174	34%	0.34	C	S	.	.	H	α-helix	trans	-60.8	-15.5	170.8	-60.6	-176.8	178.9	163.9	2.9	114.5	H386 G392 E393 Y396 R406	H386-R388 PolarHBondContact O-N 2.85Å; H386-R388 VanDerWaalsContact O-N 3.14Å; R388-G392 PolarHBondContact O-N 3.42Å; R388-E393 HydrophobicContact CB-CB 4.17Å; R388-E393 HydrophobicContact CG-CB 4.01Å; R388-E393 IonicContact NE-OE2 3.74Å; R388-E393 PolarHBondContact O-N 3.13Å; R388-Y396 VanDerWaalsContact NH1-CE2 3.3Å; R388-Y396 PolarHBondContact NH1-OH 3.4Å; R388-R406 HydrophobicContact CB-CG 3.74Å; R388-R406 PolarHBondContact NH1-O 3.3Å; R388-R406 PolarHBondContact O-NE 3.07Å; R388-R406 PolarHBondContact O-NH2 3.11Å
389	I	89.5	Confident	90.7	Very high	72 Å²	72	67.5 Å²	67.5	37%	0.369	37%	0.367	S	S	.	.	H	α-helix	trans	-67.8	-44.3	171	-59.6	179.8	0	0	0	109.9	H386 Q387 R406	H386-I389 WeakPolarHBondContact O-CB 3.38Å; H386-I389 VanDerWaalsContact O-CG1 3.25Å; H386-I389 WeakPolarHBondContact O-CG1 3.35Å; H386-I389 PolarHBondContact O-N 3.21Å; Q387-I389 PolarHBondContact O-N 3.06Å; Q387-I389 VanDerWaalsContact O-N 3.09Å; I389-R406 PolarHBondContact O-NH2 2.98Å
390	H	89.8	Confident	90.7	Very high	93 Å²	93	69 Å²	69	43%	0.431	38%	0.377	S	S	.	.	H	α-helix	trans	-78.4	-45.5	-180	-49.3	-50.9	0	0	0	112.3	E372 C373 Q387 G392	E372-H390 IonicContact OE1-CD2 3.27Å; E372-H390 WeakPolarHBondContact OE2-CB 3.19Å; E372-H390 IonicContact OE2-CD2 3.51Å; E372-H390 PolarHBondContact OE2-CD2 3.08Å; E372-H390 IonicContact OE2-CG 3.89Å; C373-H390 WeakPolarHBondContact CB-NE2 3.49Å; Q387-H390 PolarHBondContact O-N 3.3Å; H390-G392 PolarHBondContact O-N 2.86Å
391	T	88.6	Confident	90.7	Very high	80 Å²	80	68.8 Å²	68.8	49%	0.491	38%	0.375	S	S	.	.	S	Bend	trans	-73.4	-8.9	179.5	67.3	0	0	0	0	114	Q387 E393	Q387-T391 PolarHBondContact O-N 3.15Å; T391-E393 PolarHBondContact O-N 3.25Å; T391-E393 VanDerWaalsContact O-N 3.14Å; T391-E393 WeakPolarHBondContact OG1-CG 3.39Å; T391-E393 PolarHBondContact OG1-OE1 3.01Å
392	G	87.1	Confident	90.6	Very high	35 Å²	35	67.4 Å²	67.4	36%	0.361	37%	0.372	S	S	.	.			trans	71.3	-1.4	-176.9	0	0	0	0	0	115	R388 H390 N394	R388-G392 PolarHBondContact O-N 3.42Å; H390-G392 PolarHBondContact O-N 2.86Å; G392-N394 PolarHBondContact O-N 3.01Å; G392-N394 PolarHBondContact O-ND2 2.89Å
393	E	89.9	Confident	90.6	Very high	97 Å²	97	72.4 Å²	72.4	45%	0.453	39%	0.388	S	S	.	.			trans	-54.6	132.6	-174.5	-84.4	173.2	-140.2	0	0	114	R388 T391 P395	R388-E393 HydrophobicContact CB-CB 4.17Å; R388-E393 HydrophobicContact CG-CB 4.01Å; R388-E393 IonicContact NE-OE2 3.74Å; R388-E393 PolarHBondContact O-N 3.13Å; T391-E393 PolarHBondContact O-N 3.25Å; T391-E393 VanDerWaalsContact O-N 3.14Å; T391-E393 WeakPolarHBondContact OG1-CG 3.39Å; T391-E393 PolarHBondContact OG1-OE1 3.01Å; E393-P395 HydrophobicContact CB-CG 4.27Å
394	N	89.8	Confident	90.5	Very high	72 Å²	72	73.6 Å²	73.6	39%	0.385	40%	0.401	S	S	.	.			trans	-127.2	72.4	173.7	-71.3	-67.9	0	0	0	111.1	G392 Y396 A404 F405 R406	G392-N394 PolarHBondContact O-N 3.01Å; G392-N394 PolarHBondContact O-ND2 2.89Å; N394-Y396 PolarHBondContact O-N 2.67Å; N394-A404 HydrophobicContact CB-CB 3.69Å; N394-F405 CarbonylContact C-O 3.55Å; N394-F405 VanDerWaalsContact C-O 3.22Å; N394-F405 WeakPolarHBondContact CA-O 3.48Å; N394-F405 VanDerWaalsContact OD1-C 3.3Å; N394-R406 WeakPolarHBondContact OD1-CA 3.41Å; N394-R406 WeakPolarHBondContact OD1-CB 3.42Å; N394-R406 PolarHBondContact OD1-N 2.93Å
395	P	90.6	Very high	90.5	Very high	68 Å²	68	71.2 Å²	71.2	44%	0.442	39%	0.388	S	S	.	.			trans	-74.2	2.5	-168	-19.4	35.3	0	0	0	116	E393	E393-P395 HydrophobicContact CB-CG 4.27Å
396	Y	92.1	Very high	90.4	Very high	76 Å²	76	70.2 Å²	70.2	30%	0.298	38%	0.38	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-115.4	89.9	-176.7	-53.5	-69.8	0	0	0	110.2	R388 N394 F405 R406 S408	R388-Y396 VanDerWaalsContact NH1-CE2 3.3Å; R388-Y396 PolarHBondContact NH1-OH 3.4Å; N394-Y396 PolarHBondContact O-N 2.67Å; Y396-F405 WeakPolarHBondContact CB-O 3.34Å; Y396-F405 WeakPolarHBondContact CD2-O 3.5Å; Y396-F405 PolarHBondContact N-O 3.27Å; Y396-F405 VanDerWaalsContact N-O 3.15Å; Y396-F405 PolarHBondContact O-N 3.1Å; Y396-R406 WeakPolarHBondContact CE2-O 3.38Å; Y396-S408 VanDerWaalsContact CE2-N 3.3Å
397	E	92.3	Very high	90.2	Very high	130 Å²	130	72.2 Å²	72.2	61%	0.607	39%	0.387	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.7	142.3	178.3	-163.2	179.4	154	0	0	112.4	G402 L411	E397-G402 WeakPolarHBondContact OE1-CA 3.35Å; E397-L411 WeakPolarHBondContact O-CD2 3.43Å
398	C	93.6	Very high	90.2	Very high	0 Å²	0	72 Å²	72	0%	0	39%	0.393	C	S	.	.			trans	-86.2	108.3	172	-172.7	0	0	0	0	110.7	E400 C401 G402 K403 F405 L411 H418	C398-E400 PolarHBondContact O-N 3.13Å; C398-C401 PolarHBondContact O-N 3.16Å; C398-C401 VanDerWaalsContact O-N 3.08Å; C398-G402 PolarHBondContact O-N 3.21Å; C398-K403 HydrophobicContact CB-CB 4.49Å; C398-K403 WeakPolarHBondContact CB-O 3.42Å; C398-K403 PolarHBondContact N-O 3.42Å; C398-F405 HydrophobicContact CB-CE2 4.45Å; C398-L411 HydrophobicContact CB-CD1 3.53Å; C398-H418 PolarHBondContact SG-NE2 2.99Å; C398-H418 VanDerWaalsContact SG-NE2 3.4Å
399	S	90.8	Very high	90.2	Very high	109 Å²	109	73.7 Å²	73.7	76%	0.762	41%	0.412	S	S	*	.	T	Hydrogen-bonded Turn	trans	-55.3	-18.2	178.4	51.9	0	0	0	0	115.2
400	E	89.3	Confident	90.2	Very high	110 Å²	110	71.1 Å²	71.1	51%	0.514	40%	0.401	S	S	.	.	T	Hydrogen-bonded Turn	trans	-93.8	-14.8	-177.3	-63	166.7	131.4	0	0	113	C398 H418	C398-E400 PolarHBondContact O-N 3.13Å; E400-H418 IonicContact OE2-CD2 3.77Å; E400-H418 PolarHBondContact OE2-CD2 3.12Å; E400-H418 IonicContact OE2-CG 3.64Å
401	C	92.1	Very high	90.3	Very high	52 Å²	52	67.7 Å²	67.7	35%	0.351	39%	0.386	S	S	.	.	T	Hydrogen-bonded Turn	trans	-155	8.3	-176	73.6	0	0	0	0	116.5	C398 K403 H414 H418	C398-C401 PolarHBondContact O-N 3.16Å; C398-C401 VanDerWaalsContact O-N 3.08Å; C401-K403 PolarHBondContact O-N 3.39Å; C401-K403 VanDerWaalsContact O-N 3.15Å; C401-H414 PolarHBondContact SG-NE2 3.14Å; C401-H418 PolarHBondContact SG-NE2 2.66Å; C401-H418 VanDerWaalsContact SG-NE2 3.44Å
402	G	88.7	Confident	90.4	Very high	45 Å²	45	67.4 Å²	67.4	46%	0.464	38%	0.384	S	S	.	.			trans	69.2	4.6	178.3	0	0	0	0	0	115.8	E397 C398 A404	E397-G402 WeakPolarHBondContact OE1-CA 3.35Å; C398-G402 PolarHBondContact O-N 3.21Å; G402-A404 PolarHBondContact O-N 2.79Å
403	K	90.3	Very high	90.5	Very high	124 Å²	124	74.5 Å²	74.5	54%	0.539	40%	0.4	S	S	.	.			trans	-76.1	117.6	-177.9	-69.5	-178	-176.5	179.8	0	110.9	C398 C401 F405	C398-K403 HydrophobicContact CB-CB 4.49Å; C398-K403 WeakPolarHBondContact CB-O 3.42Å; C398-K403 PolarHBondContact N-O 3.42Å; C401-K403 PolarHBondContact O-N 3.39Å; C401-K403 VanDerWaalsContact O-N 3.15Å; K403-F405 HydrophobicContact CB-CE2 3.78Å; K403-F405 HydrophobicContact CB-CZ 3.98Å; K403-F405 VanDerWaalsContact O-CD2 3.3Å; K403-F405 WeakPolarHBondContact O-CD2 3.47Å; K403-F405 WeakPolarHBondContact O-CE2 3.41Å
404	A	92.7	Very high	90.5	Very high	49 Å²	49	70.8 Å²	70.8	41%	0.405	38%	0.383	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90	140.7	178.7	0	0	0	0	0	112.4	N394 G402	N394-A404 HydrophobicContact CB-CB 3.69Å; G402-A404 PolarHBondContact O-N 2.79Å
405	F	90.1	Very high	90.5	Very high	47 Å²	47	70.2 Å²	70.2	21%	0.206	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	145.8	-179.5	-60.5	-89.5	0	0	0	112.6	N394 Y396 C398 K403 Y407 A410 L411 H414	N394-F405 CarbonylContact C-O 3.55Å; N394-F405 VanDerWaalsContact C-O 3.22Å; N394-F405 WeakPolarHBondContact CA-O 3.48Å; N394-F405 VanDerWaalsContact OD1-C 3.3Å; Y396-F405 WeakPolarHBondContact CB-O 3.34Å; Y396-F405 WeakPolarHBondContact CD2-O 3.5Å; Y396-F405 PolarHBondContact N-O 3.27Å; Y396-F405 VanDerWaalsContact N-O 3.15Å; Y396-F405 PolarHBondContact O-N 3.1Å; C398-F405 HydrophobicContact CB-CE2 4.45Å; K403-F405 HydrophobicContact CB-CE2 3.78Å; K403-F405 HydrophobicContact CB-CZ 3.98Å; K403-F405 VanDerWaalsContact O-CD2 3.3Å; K403-F405 WeakPolarHBondContact O-CD2 3.47Å; K403-F405 WeakPolarHBondContact O-CE2 3.41Å; F405-Y407 VanDerWaalsContact C-N 3.32Å; F405-Y407 PolarHBondContact O-N 3.21Å; F405-A410 HydrophobicContact CB-CB 4.17Å; F405-A410 HydrophobicContact CD1-CB 3.91Å; F405-A410 HydrophobicContact CG-CB 4.29Å; F405-L411 HydrophobicContact CB-CB 4.38Å; F405-L411 HydrophobicContact CD2-CB 3.95Å; F405-L411 HydrophobicContact CD2-CD1 3.95Å; F405-L411 HydrophobicContact CE2-CD1 4.12Å; F405-L411 HydrophobicContact CG-CB 4.36Å; F405-H414 HydrophobicContact CE1-CB 4.15Å; F405-H414 HydrophobicContact CE2-CB 3.89Å; F405-H414 AromaticContact CE2-CD2 3.35Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.47Å; F405-H414 AromaticContact CE2-CG 3.74Å; F405-H414 HydrophobicContact CZ-CB 3.53Å; F405-H414 AromaticContact CZ-CD2 3.41Å; F405-H414 VanDerWaalsContact CZ-CD2 3.41Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.47Å; F405-H414 AromaticContact CZ-CG 3.37Å
406	R	88.4	Confident	90.3	Very high	67 Å²	67	72.4 Å²	72.4	25%	0.253	38%	0.377	S	S	.	.	S	Bend	trans	-67.9	-28.4	176.8	-168.6	172.4	-77.7	151.7	-8.7	113.9	R388 I389 N394 Y396	R388-R406 HydrophobicContact CB-CG 3.74Å; R388-R406 PolarHBondContact NH1-O 3.3Å; R388-R406 PolarHBondContact O-NE 3.07Å; R388-R406 PolarHBondContact O-NH2 3.11Å; I389-R406 PolarHBondContact O-NH2 2.98Å; N394-R406 WeakPolarHBondContact OD1-CA 3.41Å; N394-R406 WeakPolarHBondContact OD1-CB 3.42Å; N394-R406 PolarHBondContact OD1-N 2.93Å; Y396-R406 WeakPolarHBondContact CE2-O 3.38Å
407	Y	87.4	Confident	90	Very high	76 Å²	76	74.8 Å²	74.8	30%	0.298	39%	0.394	S	S	.	.	S	Bend	trans	-129.4	137.3	-175	-46.7	-43.1	0	0	0	111.5	Q385 F405 S409 A410 L411	Q385-Y407 HydrophobicContact CG-CD1 3.72Å; Q385-Y407 HydrophobicContact CG-CE1 3.37Å; Q385-Y407 VanDerWaalsContact NE2-CE1 3.3Å; F405-Y407 VanDerWaalsContact C-N 3.32Å; F405-Y407 PolarHBondContact O-N 3.21Å; Y407-S409 VanDerWaalsContact C-N 3.27Å; Y407-S409 PolarHBondContact O-N 3.49Å; Y407-A410 WeakPolarHBondContact O-CB 3.29Å; Y407-A410 PolarHBondContact O-N 3.08Å; Y407-L411 PolarHBondContact O-N 3.41Å
408	S	90.4	Very high	89.7	Confident	63 Å²	63	72.3 Å²	72.3	44%	0.441	38%	0.382	S	S	.	.	H	α-helix	trans	-62.6	-32.5	178.6	53.7	0	0	0	0	112.8	Y396 A410 L411 V412	Y396-S408 VanDerWaalsContact CE2-N 3.3Å; S408-A410 VanDerWaalsContact C-N 3.26Å; S408-A410 PolarHBondContact O-N 2.83Å; S408-L411 PolarHBondContact O-N 3.12Å; S408-V412 WeakPolarHBondContact O-CG2 2.83Å; S408-V412 PolarHBondContact O-N 3.37Å
409	S	90.3	Very high	89.1	Confident	83 Å²	83	76.2 Å²	76.2	58%	0.58	41%	0.406	S	S	*	.	H	α-helix	trans	-64.7	-27.7	173.2	55.2	0	0	0	0	113.4	Y407 R413	Y407-S409 VanDerWaalsContact C-N 3.27Å; Y407-S409 PolarHBondContact O-N 3.49Å; S409-R413 VanDerWaalsContact O-CB 3.29Å; S409-R413 WeakPolarHBondContact O-CB 3.45Å; S409-R413 PolarHBondContact O-N 3.12Å; S409-R413 VanDerWaalsContact O-N 3.14Å
410	A	90.8	Very high	88.3	Confident	18 Å²	18	73.7 Å²	73.7	15%	0.149	40%	0.397	C	S	.	.	H	α-helix	trans	-75.8	-40.8	173.3	0	0	0	0	0	111.2	F405 Y407 S408 R413 H414	F405-A410 HydrophobicContact CB-CB 4.17Å; F405-A410 HydrophobicContact CD1-CB 3.91Å; F405-A410 HydrophobicContact CG-CB 4.29Å; Y407-A410 WeakPolarHBondContact O-CB 3.29Å; Y407-A410 PolarHBondContact O-N 3.08Å; S408-A410 VanDerWaalsContact C-N 3.26Å; S408-A410 PolarHBondContact O-N 2.83Å; A410-R413 PolarHBondContact O-N 3.3Å; A410-H414 WeakPolarHBondContact O-CB 3.5Å; A410-H414 PolarHBondContact O-N 2.96Å
411	L	91.8	Very high	87.4	Confident	20 Å²	20	74.5 Å²	74.5	11%	0.105	40%	0.401	C	S	.	.	H	α-helix	trans	-60.9	-50.7	171.9	173.2	60.4	0	0	0	111.7	E397 C398 F405 Y407 S408 R413 H414 Q415	E397-L411 WeakPolarHBondContact O-CD2 3.43Å; C398-L411 HydrophobicContact CB-CD1 3.53Å; F405-L411 HydrophobicContact CB-CB 4.38Å; F405-L411 HydrophobicContact CD2-CB 3.95Å; F405-L411 HydrophobicContact CD2-CD1 3.95Å; F405-L411 HydrophobicContact CE2-CD1 4.12Å; F405-L411 HydrophobicContact CG-CB 4.36Å; Y407-L411 PolarHBondContact O-N 3.41Å; S408-L411 PolarHBondContact O-N 3.12Å; L411-R413 VanDerWaalsContact C-N 3.27Å; L411-R413 PolarHBondContact O-N 2.91Å; L411-H414 CarbonylContact O-C 3.57Å; L411-H414 WeakPolarHBondContact O-CA 3.48Å; L411-H414 WeakPolarHBondContact O-CB 3Å; L411-H414 PolarHBondContact O-N 3.09Å; L411-Q415 HydrophobicContact CD1-CG 3.94Å; L411-Q415 HydrophobicContact CG-CG 4.36Å; L411-Q415 WeakPolarHBondContact O-CG 3.49Å; L411-Q415 PolarHBondContact O-N 2.94Å
412	V	90.2	Very high	85.8	Confident	74 Å²	74	80.9 Å²	80.9	45%	0.448	42%	0.422	S	S	.	.	H	α-helix	trans	-60.8	-36.4	178.9	170	0	0	0	0	111.8	S408 H414	S408-V412 WeakPolarHBondContact O-CG2 2.83Å; S408-V412 PolarHBondContact O-N 3.37Å; V412-H414 VanDerWaalsContact C-N 3.34Å
413	R	89.9	Confident	84.1	Confident	185 Å²	185	82.9 Å²	82.9	70%	0.698	43%	0.427	S	S	*	.	H	α-helix	trans	-68.7	-32.8	172.5	-177.3	176.9	64.4	-177.8	0.4	112.4	S409 A410 L411	S409-R413 VanDerWaalsContact O-CB 3.29Å; S409-R413 WeakPolarHBondContact O-CB 3.45Å; S409-R413 PolarHBondContact O-N 3.12Å; S409-R413 VanDerWaalsContact O-N 3.14Å; A410-R413 PolarHBondContact O-N 3.3Å; L411-R413 VanDerWaalsContact C-N 3.27Å; L411-R413 PolarHBondContact O-N 2.91Å
414	H	90.2	Very high	82.1	Confident	19 Å²	19	85.5 Å²	85.5	9%	0.088	45%	0.446	C	S	.	.	H	α-helix	trans	-73.2	-41.5	177	174.2	50.7	0	0	0	112.5	C401 F405 A410 L411 V412 R416 I417 H418	C401-H414 PolarHBondContact SG-NE2 3.14Å; F405-H414 HydrophobicContact CE1-CB 4.15Å; F405-H414 HydrophobicContact CE2-CB 3.89Å; F405-H414 AromaticContact CE2-CD2 3.35Å; F405-H414 WeakPolarHBondContact CE2-CD2 3.47Å; F405-H414 AromaticContact CE2-CG 3.74Å; F405-H414 HydrophobicContact CZ-CB 3.53Å; F405-H414 AromaticContact CZ-CD2 3.41Å; F405-H414 VanDerWaalsContact CZ-CD2 3.41Å; F405-H414 WeakPolarHBondContact CZ-CD2 3.47Å; F405-H414 AromaticContact CZ-CG 3.37Å; A410-H414 WeakPolarHBondContact O-CB 3.5Å; A410-H414 PolarHBondContact O-N 2.96Å; L411-H414 CarbonylContact O-C 3.57Å; L411-H414 WeakPolarHBondContact O-CA 3.48Å; L411-H414 WeakPolarHBondContact O-CB 3Å; L411-H414 PolarHBondContact O-N 3.09Å; V412-H414 VanDerWaalsContact C-N 3.34Å; H414-R416 PolarHBondContact O-N 3.37Å; H414-R416 VanDerWaalsContact O-N 3.16Å; H414-I417 VanDerWaalsContact O-CB 3.23Å; H414-I417 WeakPolarHBondContact O-CB 3.42Å; H414-I417 WeakPolarHBondContact O-CG1 3.48Å; H414-I417 PolarHBondContact O-N 2.94Å; H414-H418 AromaticContact CD2-NE2 3.98Å; H414-H418 AromaticContact CE1-CE1 3.9Å; H414-H418 AromaticContact CE1-NE2 3.58Å; H414-H418 AromaticContact NE2-CE1 3.88Å; H414-H418 AromaticContact NE2-NE2 3.21Å; H414-H418 PolarHBondContact NE2-NE2 3.21Å
415	Q	88.4	Confident	79.7	Confident	59 Å²	59	90.7 Å²	90.7	28%	0.276	47%	0.467	S	S	.	.	H	α-helix	trans	-57.9	-29.4	178.7	-72.9	170.7	-57.7	0	0	112.8	L411 I417 H418 T419	L411-Q415 HydrophobicContact CD1-CG 3.94Å; L411-Q415 HydrophobicContact CG-CG 4.36Å; L411-Q415 WeakPolarHBondContact O-CG 3.49Å; L411-Q415 PolarHBondContact O-N 2.94Å; Q415-I417 PolarHBondContact O-N 3.32Å; Q415-I417 VanDerWaalsContact O-N 3.15Å; Q415-H418 PolarHBondContact O-N 3.26Å; Q415-T419 PolarHBondContact O-N 3.11Å; Q415-T419 PolarHBondContact O-OG1 3.33Å
416	R	87.3	Confident	77.3	Confident	114 Å²	114	91.9 Å²	91.9	43%	0.43	49%	0.493	S	S	.	.	H	α-helix	trans	-61.4	-18.3	172.1	-65.7	179.9	-173.8	176.8	0.3	114.9	H414 T419 G420 E421	H414-R416 PolarHBondContact O-N 3.37Å; H414-R416 VanDerWaalsContact O-N 3.16Å; R416-T419 WeakPolarHBondContact CA-OG1 3.42Å; R416-G420 WeakPolarHBondContact O-CA 3.36Å; R416-G420 PolarHBondContact O-N 3.21Å; R416-E421 HydrophobicContact CB-CB 4.49Å; R416-E421 HydrophobicContact CG-CB 4.29Å; R416-E421 PolarHBondContact O-N 2.67Å
417	I	86.3	Confident	74.6	Confident	127 Å²	127	97.7 Å²	97.7	65%	0.651	53%	0.525	S	S	*	.	H	α-helix	trans	-74.2	-33.7	173.6	-59.7	173	0	0	0	110.1	H414 Q415	H414-I417 VanDerWaalsContact O-CB 3.23Å; H414-I417 WeakPolarHBondContact O-CB 3.42Å; H414-I417 WeakPolarHBondContact O-CG1 3.48Å; H414-I417 PolarHBondContact O-N 2.94Å; Q415-I417 PolarHBondContact O-N 3.32Å; Q415-I417 VanDerWaalsContact O-N 3.15Å
418	H	85.1	Confident	72	Confident	78 Å²	78	98 Å²	98	36%	0.361	55%	0.552	S	S	.	*	H	α-helix	trans	-81.2	-41.7	177.3	-54	-51.8	0	0	0	111.6	C398 E400 C401 H414 Q415 G420	C398-H418 PolarHBondContact SG-NE2 2.99Å; C398-H418 VanDerWaalsContact SG-NE2 3.4Å; E400-H418 IonicContact OE2-CD2 3.77Å; E400-H418 PolarHBondContact OE2-CD2 3.12Å; E400-H418 IonicContact OE2-CG 3.64Å; C401-H418 PolarHBondContact SG-NE2 2.66Å; C401-H418 VanDerWaalsContact SG-NE2 3.44Å; H414-H418 AromaticContact CD2-NE2 3.98Å; H414-H418 AromaticContact CE1-CE1 3.9Å; H414-H418 AromaticContact CE1-NE2 3.58Å; H414-H418 AromaticContact NE2-CE1 3.88Å; H414-H418 AromaticContact NE2-NE2 3.21Å; H414-H418 PolarHBondContact NE2-NE2 3.21Å; Q415-H418 PolarHBondContact O-N 3.26Å; H418-G420 VanDerWaalsContact C-N 3.33Å; H418-G420 PolarHBondContact O-N 2.9Å
419	T	80.9	Confident	69.2	Low	81 Å²	81	103.8 Å²	103.8	50%	0.497	57%	0.574	S	S	.	*	H	α-helix	trans	-79.4	-11.4	178	64.8	0	0	0	0	114.3	Q415 R416 E421	Q415-T419 PolarHBondContact O-N 3.11Å; Q415-T419 PolarHBondContact O-OG1 3.33Å; R416-T419 WeakPolarHBondContact CA-OG1 3.42Å; T419-E421 PolarHBondContact O-N 3.38Å
420	G	73	Confident	66.3	Low	56 Å²	56	105.4 Å²	105.4	58%	0.577	59%	0.585	S	S	*	*			trans	71.6	6.8	-179.1	0	0	0	0	0	115.3	R416 H418 K422	R416-G420 WeakPolarHBondContact O-CA 3.36Å; R416-G420 PolarHBondContact O-N 3.21Å; H418-G420 VanDerWaalsContact C-N 3.33Å; H418-G420 PolarHBondContact O-N 2.9Å; G420-K422 PolarHBondContact O-N 3.22Å
421	E	70.9	Confident	63.7	Low	127 Å²	127	114 Å²	114	59%	0.593	62%	0.619	S	S	*	*			trans	-67.1	104.3	-175.8	-73.7	-173.8	163.1	0	0	112.8	R416 T419	R416-E421 HydrophobicContact CB-CB 4.49Å; R416-E421 HydrophobicContact CG-CB 4.29Å; R416-E421 PolarHBondContact O-N 2.67Å; T419-E421 PolarHBondContact O-N 3.38Å
422	K	58.8	Low	60.8	Low	186 Å²	186	120.7 Å²	120.7	81%	0.809	66%	0.655	S	S	*	*			trans	-62.6	150.1	167.6	-76.7	-178.9	177.5	174.4	0	111	G420 L424	G420-K422 PolarHBondContact O-N 3.22Å; K422-L424 PolarHBondContact O-N 3.41Å
423	P	54	Low	58	Low	87 Å²	87	122.5 Å²	122.5	57%	0.565	67%	0.671	S	S	*	*			trans	-60.7	133.8	-179.7	-21.9	32.9	0	0	0	112.9	N425	P423-N425 PolarHBondContact O-N 3.06Å
424	L	47	Very low	55.2	Low	180 Å²	180	122.3 Å²	122.3	94%	0.942	68%	0.683	S	S	*	*			trans	-69.5	78.4	165.9	-73.7	172.4	0	0	0	110.5	K422 G426	K422-L424 PolarHBondContact O-N 3.41Å; L424-G426 PolarHBondContact O-N 3.38Å
425	N	43.5	Very low	52.5	Low	157 Å²	157	132.7 Å²	132.7	84%	0.84	72%	0.721	S	S	*	*			trans	-74.4	105.6	168.2	-83.1	-6.4	0	0	0	109.6	P423	P423-N425 PolarHBondContact O-N 3.06Å
426	G	39.5	Very low	49.6	Very low	72 Å²	72	135.7 Å²	135.7	74%	0.742	74%	0.744	S	S	*	*			trans	120.1	78.8	160.2	0	0	0	0	0	116.7	L424	L424-G426 PolarHBondContact O-N 3.38Å
427	M	31.1	Very low	46.9	Very low	190 Å²	190	136.2 Å²	136.2	94%	0.936	76%	0.76	S	S	*	*	S	Bend	trans	-130.7	142.3	137.8	-93.3	-172.9	171.7	0	0	108.9	M429	M427-M429 PolarHBondContact O-N 3.15Å
428	G	32.3	Very low	44.3	Very low	83 Å²	83	136.1 Å²	136.1	86%	0.856	77%	0.765	S	S	*	*			trans	-74.1	111.7	-154.6	0	0	0	0	0	115.1
429	M	32	Very low	41.6	Very low	183 Å²	183	141.3 Å²	141.3	90%	0.901	79%	0.789	S	S	*	*			trans	-74.1	127.5	153.7	-75	-68.2	166.5	0	0	109	M427	M427-M429 PolarHBondContact O-N 3.15Å
430	S	29.3	Very low	39.3	Very low	118 Å²	118	144.4 Å²	144.4	83%	0.825	80%	0.802	S	S	*	*			trans	-60.9	139.8	-179.9	-172.1	0	0	0	0	111.4	N432	S430-N432 PolarHBondContact O-N 2.7Å
431	K	35.2	Very low	37.2	Very low	198 Å²	198	148.7 Å²	148.7	86%	0.861	81%	0.812	S	S	*	*	S	Bend	trans	-73.9	85	-177.7	-69.3	179.3	179	176.4	0	111.1
432	N	32.3	Very low	35.5	Very low	161 Å²	161	149.3 Å²	149.3	86%	0.861	82%	0.818	S	S	*	*			trans	-163.5	102.8	155.4	-101.5	-22.7	0	0	0	112.1	S430	S430-N432 PolarHBondContact O-N 2.7Å
433	S	30.4	Very low	34.2	Very low	112 Å²	112	151.6 Å²	151.6	78%	0.783	82%	0.821	S	S	*	*			trans	147	62.3	156.2	-177.5	0	0	0	0	112
434	L	31.8	Very low	33.6	Very low	181 Å²	181	156.2 Å²	156.2	95%	0.948	84%	0.835	S	S	*	*			trans	-131	67.9	173.6	-103.1	172.3	0	0	0	112.3
435	R	32.3	Very low	33.1	Very low	236 Å²	236	153.3 Å²	153.3	89%	0.891	83%	0.83	S	S	*	*			trans	-153.2	139	159.2	-98.5	179	171.8	-178.7	-4	103.4
436	V	29.4	Very low	32.8	Very low	123 Å²	123	156.1 Å²	156.1	75%	0.745	85%	0.853	S	S	*	*	S	Bend	cis	-140.5	142.1	37.2	163.9	0	0	0	0	112.2
437	T	30.5	Very low	32.4	Very low	125 Å²	125	160.3 Å²	160.3	77%	0.767	86%	0.859	S	S	*	*			trans	26.4	129.3	163.8	58	0	0	0	0	123.4
438	T	30.8	Very low	32.5	Very low	125 Å²	125	158.7 Å²	158.7	77%	0.767	86%	0.855	S	S	*	*			trans	-70	134	145	46.3	0	0	0	0	113
439	E	28.6	Very low	32.5	Very low	186 Å²	186	162.9 Å²	162.9	87%	0.869	86%	0.855	S	S	*	*			trans	-138.3	119.2	142.1	-65.2	-170.6	150.5	0	0	104.8
440	L	33.4	Very low	32.6	Very low	146 Å²	146	161.8 Å²	161.8	76%	0.764	85%	0.852	S	S	*	*				57.3	84.6	54	-69.3	-178.9	0	0	0	114.1
441	N	27.9	Very low	32.8	Very low	147 Å²	147	164.5 Å²	164.5	79%	0.786	85%	0.853	S	S	*	*			trans	-145	101.3	141.8	-135.6	-30.7	0	0	0	110.4
442	I	34.4	Very low	32.6	Very low	140 Å²	140	162.3 Å²	162.3	72%	0.718	85%	0.853	S	S	*	*			trans	-101.5	121.6	165.7	-64.6	167.7	0	0	0	106
443	R	32.4	Very low	32.6	Very low	234 Å²	234	162.4 Å²	162.4	88%	0.883	85%	0.852	S	S	*	*			trans	-140.2	106.7	158.8	-73.4	-164.7	173.4	-166.5	-3.5	108.9
444	E	41.8	Very low	32.8	Very low	183 Å²	183	166.2 Å²	166.2	86%	0.855	86%	0.858	S	S	*	*			trans	-85.2	172.6	164.3	-67	-176.3	129.8	0	0	110
445	S	35.8	Very low	32.9	Very low	119 Å²	119	165 Å²	165	83%	0.832	85%	0.85	S	S	*	*			trans	-73.9	152.9	-164.7	-45	0	0	0	0	115.7
446	T	37.3	Very low	32.9	Very low	216 Å²	216	158.5 Å²	158.5	100%	1.325	85%	0.847	S	S	*	*			trans	-133.5	0	138.9	56	0	0	0	0	107.9

Retrieved 446 of 446 residues in 1110 ms (Link to these results)

U.S. Privacy Notice - Disclaimer / Registrations / Copyright Statement - Linking Policy - Notice of Privacy Practices (HIPAA) - Notice of Non‑Discrimination
© Copyright 2026 St. Jude Children's Research Hospital, a not-for-profit, section 501(c)(3).