A0A3Q0KBR3_SCHMA Loading...

NXPE family member 3-like

AlphaFold DB , UniProt , Accession A0A3Q0KBR3, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 513 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	46.3	Very low	45.7	Very low	208 Å²	208	138.4 Å²	138.4	100%	1.025	66%	0.663	S	S	*	*				0	-43	0	-88.4	-174.2	-161.2	0	0	114.5	W3 I4	M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 2.8Å; M1-I4 PolarHBondContact O-N 2.66Å
2	K	41.1	Very low	45.7	Very low	192 Å²	192	135.4 Å²	135.4	84%	0.835	65%	0.652	S	S	*	*	H	α-helix	trans	-60.4	-25.5	-176.7	-77.6	-176.1	174.2	-179.7	0	115.8
3	W	39.2	Very low	45.6	Very low	228 Å²	228	132.9 Å²	132.9	86%	0.864	64%	0.644	S	S	*	*	H	α-helix	trans	-77.7	-26.6	179.5	-85.6	69.4	0	0	0	114.7	M1 T7	M1-W3 VanDerWaalsContact C-N 3.26Å; M1-W3 PolarHBondContact O-N 2.8Å; W3-T7 PolarHBondContact O-OG1 3.04Å
4	I	48.7	Very low	45.4	Very low	122 Å²	122	131.3 Å²	131.3	63%	0.626	64%	0.64	S	S	*	*	H	α-helix	trans	-77.8	-30.7	-177.2	-65.7	171.4	0	0	0	111.4	M1 L8	M1-I4 PolarHBondContact O-N 2.66Å; I4-L8 PolarHBondContact O-N 3.47Å
5	I	49.5	Very low	44.9	Very low	112 Å²	112	129.7 Å²	129.7	57%	0.574	64%	0.635	S	S	*	*	H	α-helix	trans	-72.4	-33.9	179.2	-63.2	173	0	0	0	111	T7 L8 L9	I5-T7 PolarHBondContact O-N 2.85Å; I5-L8 PolarHBondContact O-N 3.29Å; I5-L9 HydrophobicContact CG2-CD1 4.15Å; I5-L9 PolarHBondContact O-N 3.26Å
6	F	44	Very low	44.5	Very low	158 Å²	158	127.7 Å²	127.7	69%	0.693	63%	0.627	S	S	*	*	H	α-helix	trans	-70.8	-31.8	-179.5	-141.6	-92.7	0	0	0	112.5	I10	F6-I10 HydrophobicContact CD1-CD1 4.1Å; F6-I10 HydrophobicContact CE1-CD1 4.27Å
7	T	50.1	Low	44.1	Very low	84 Å²	84	128.1 Å²	128.1	52%	0.515	63%	0.631	S	S	.	*	H	α-helix	trans	-74.3	-33.6	177.6	-14.6	0	0	0	0	112.4	W3 I5	W3-T7 PolarHBondContact O-OG1 3.04Å; I5-T7 PolarHBondContact O-N 2.85Å
8	L	41.4	Very low	43.5	Very low	110 Å²	110	127.3 Å²	127.3	58%	0.576	63%	0.63	S	S	*	*	H	α-helix	trans	-70.8	-34.7	178.3	-115.9	93.6	0	0	0	112.8	I4 I5 I11 I12	I4-L8 PolarHBondContact O-N 3.47Å; I5-L8 PolarHBondContact O-N 3.29Å; L8-I11 PolarHBondContact O-N 2.89Å; L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 3.44Å
9	L	45.1	Very low	43	Very low	107 Å²	107	127.8 Å²	127.8	56%	0.56	63%	0.633	S	S	*	*	H	α-helix	trans	-71.2	-28.1	179.4	-105.1	123.2	0	0	0	113.5	I5	I5-L9 HydrophobicContact CG2-CD1 4.15Å; I5-L9 PolarHBondContact O-N 3.26Å
10	I	50.7	Low	42.4	Very low	95 Å²	95	127.9 Å²	127.9	49%	0.487	64%	0.635	S	S	.	*	H	α-helix	trans	-73	-33.9	175.9	-67.5	172.6	0	0	0	111	F6 L14	F6-I10 HydrophobicContact CD1-CD1 4.1Å; F6-I10 HydrophobicContact CE1-CD1 4.27Å; I10-L14 HydrophobicContact CG2-CD1 4.29Å
11	I	46.9	Very low	41.8	Very low	106 Å²	106	126 Å²	126	54%	0.544	63%	0.634	S	S	.	*	H	α-helix	trans	-71.9	-37.9	180	-63.5	172.8	0	0	0	111.1	L8 N13 L14	L8-I11 PolarHBondContact O-N 2.89Å; I11-N13 VanDerWaalsContact C-N 3.33Å; I11-N13 PolarHBondContact O-N 3.4Å; I11-L14 PolarHBondContact O-N 3.32Å
12	I	45.3	Very low	40.9	Very low	103 Å²	103	125.9 Å²	125.9	53%	0.528	62%	0.624	S	S	.	*	H	α-helix	trans	-70.4	-29.1	-178.6	-64.1	171	0	0	0	112.3	L8	L8-I12 WeakPolarHBondContact O-CG1 3.35Å; L8-I12 PolarHBondContact O-N 3.44Å
13	N	44.6	Very low	40.1	Very low	103 Å²	103	121.6 Å²	121.6	55%	0.551	62%	0.618	S	S	*	*	H	α-helix	trans	-80.6	-19.1	179.4	-95.8	-32.9	0	0	0	114.6	I11	I11-N13 VanDerWaalsContact C-N 3.33Å; I11-N13 PolarHBondContact O-N 3.4Å
14	L	42.7	Very low	39.4	Very low	110 Å²	110	121.4 Å²	121.4	58%	0.576	62%	0.617	S	S	*	*	H	α-helix	trans	-79.4	-31.4	178.7	-96.8	146	0	0	0	112.9	I10 I11	I10-L14 HydrophobicContact CG2-CD1 4.29Å; I11-L14 PolarHBondContact O-N 3.32Å
15	D	38.2	Very low	38.4	Very low	107 Å²	107	124 Å²	124	57%	0.572	63%	0.627	S	S	*	*	H	α-helix	trans	-75.7	-28.8	178.8	-76.4	-26.7	0	0	0	112.9
16	I	38.9	Very low	37.4	Very low	98 Å²	98	125.3 Å²	125.3	50%	0.503	63%	0.634	S	S	.	*	H	α-helix	trans	-74.6	-31.1	179.5	-63.4	176.6	0	0	0	111.4
17	L	37.4	Very low	36.4	Very low	135 Å²	135	123.7 Å²	123.7	71%	0.707	64%	0.642	S	S	*	*	H	α-helix	trans	-75	-25.7	177.6	-111.6	109.9	0	0	0	113.5
18	L	33	Very low	35.3	Very low	114 Å²	114	127.9 Å²	127.9	60%	0.597	65%	0.653	S	S	*	*	H	α-helix	trans	-78	-20.1	179.5	-107.7	141	0	0	0	113.6
19	I	33.5	Very low	34.4	Very low	137 Å²	137	132.9 Å²	132.9	70%	0.703	67%	0.67	S	S	*	*	H	α-helix	trans	-83.8	-24.6	178.7	-64.2	174.1	0	0	0	111.7
20	I	32.2	Very low	33.3	Very low	128 Å²	128	132.3 Å²	132.3	66%	0.656	68%	0.675	S	S	*	*	H	α-helix	trans	-84.3	-19.3	-176.7	-62.7	177.2	0	0	0	112.7
21	S	30	Very low	31.9	Very low	89 Å²	89	134.1 Å²	134.1	62%	0.622	69%	0.691	S	S	*	*	T	Hydrogen-bonded Turn	trans	-91.3	-1.7	-176.4	71.6	0	0	0	0	115.9
22	Y	26.6	Very low	30.7	Very low	206 Å²	206	136 Å²	136	81%	0.808	70%	0.701	S	S	*	*	T	Hydrogen-bonded Turn	trans	-107.3	14.1	-175.6	-116	-86	0	0	0	115.4
23	S	24.3	Very low	29.7	Very low	102 Å²	102	139 Å²	139	71%	0.713	71%	0.713	S	S	*	*	S	Bend	trans	-98.2	10	-178	62.5	0	0	0	0	115.4
24	R	25.2	Very low	28.6	Very low	223 Å²	223	142.4 Å²	142.4	84%	0.842	73%	0.729	S	S	*	*			trans	-125.2	130.9	179.2	-90.5	179.4	172.1	174	-1.9	112.5
25	Q	27.5	Very low	27.8	Very low	178 Å²	178	145 Å²	145	83%	0.832	74%	0.739	S	S	*	*			trans	77.2	101.6	159.6	-74.8	-177.6	-30.4	0	0	116.7
26	L	28.1	Very low	27	Very low	139 Å²	139	147.3 Å²	147.3	73%	0.728	75%	0.751	S	S	*	*				173.2	88.1	99.2	-88.6	154.6	0	0	0	110.2	K28	L26-K28 HydrophobicContact CD2-CD 4.23Å; L26-K28 HydrophobicContact CD2-CG 4.36Å; L26-K28 PolarHBondContact O-N 2.74Å
27	S	22.3	Very low	26.4	Very low	124 Å²	124	151.8 Å²	151.8	87%	0.867	77%	0.767	S	S	*	*			trans	-72.2	96.9	151.5	58.1	0	0	0	0	108.1
28	K	26.6	Very low	25.7	Very low	171 Å²	171	151.6 Å²	151.6	74%	0.743	77%	0.772	S	S	*	*			trans	-128.6	97.5	161.7	-91.7	-173.8	175.9	179.3	0	109	L26 S30	L26-K28 HydrophobicContact CD2-CD 4.23Å; L26-K28 HydrophobicContact CD2-CG 4.36Å; L26-K28 PolarHBondContact O-N 2.74Å; K28-S30 PolarHBondContact O-N 3.06Å
29	K	22.8	Very low	25.5	Very low	215 Å²	215	155.1 Å²	155.1	94%	0.935	78%	0.782	S	S	*	*			trans	-62.6	106.6	157.4	-76.6	176	172.7	178.6	0	106.8
30	S	22.3	Very low	25.1	Very low	95 Å²	95	157.8 Å²	157.8	66%	0.664	79%	0.792	S	S	*	*			trans	-114.1	103.7	166.8	52.3	0	0	0	0	108.5	K28 I32	K28-S30 PolarHBondContact O-N 3.06Å; S30-I32 PolarHBondContact O-N 2.66Å
31	T	21.6	Very low	24.9	Very low	134 Å²	134	157.6 Å²	157.6	82%	0.822	80%	0.797	S	S	*	*			trans	-64.8	106.7	167	-39.4	0	0	0	0	107.5	Q33	T31-Q33 PolarHBondContact O-N 2.71Å
32	I	21.9	Very low	24.7	Very low	145 Å²	145	160.3 Å²	160.3	74%	0.744	81%	0.81	S	S	*	*			trans	-90.5	103.4	174.4	-62.3	173.4	0	0	0	106.7	S30	S30-I32 PolarHBondContact O-N 2.66Å
33	Q	23.9	Very low	24.7	Very low	167 Å²	167	156.3 Å²	156.3	78%	0.78	81%	0.807	S	S	*	*			trans	-74.4	122.5	163.8	-75.7	-171	-31.1	0	0	108.2	T31 Q35	T31-Q33 PolarHBondContact O-N 2.71Å; Q33-Q35 PolarHBondContact O-N 3.39Å
34	L	21.7	Very low	24.8	Very low	173 Å²	173	161.4 Å²	161.4	91%	0.906	82%	0.819	S	S	*	*			trans	-68.5	109	170.9	-76.2	146.5	0	0	0	107.9
35	Q	25	Very low	24.8	Very low	164 Å²	164	155.7 Å²	155.7	77%	0.766	81%	0.814	S	S	*	*			trans	-106.6	124.8	166.2	-103	-179.2	-17.6	0	0	108.9	Q33 F37	Q33-Q35 PolarHBondContact O-N 3.39Å; Q35-F37 PolarHBondContact O-N 3.34Å
36	D	22.8	Very low	24.6	Very low	157 Å²	157	156.5 Å²	156.5	84%	0.84	82%	0.815	S	S	*	*			trans	-54.6	111.2	177.8	-73	-44.5	0	0	0	111.4
37	F	24.8	Very low	24.6	Very low	192 Å²	192	155.6 Å²	155.6	84%	0.842	82%	0.818	S	S	*	*			trans	-100.2	90.4	165.5	-96.2	-87.6	0	0	0	109.4	Q35 K39	Q35-F37 PolarHBondContact O-N 3.34Å; F37-K39 PolarHBondContact O-N 3.12Å
38	T	24.2	Very low	24.7	Very low	130 Å²	130	158 Å²	158	80%	0.798	82%	0.815	S	S	*	*			trans	-74.8	102.2	157.1	40.1	0	0	0	0	108.5
39	K	27.7	Very low	24.6	Very low	189 Å²	189	157.5 Å²	157.5	82%	0.822	82%	0.817	S	S	*	*			trans	-158.1	113.5	154.4	-120.2	172	-175.5	178.9	0	112.4	F37 T41	F37-K39 PolarHBondContact O-N 3.12Å; K39-T41 PolarHBondContact O-N 3.49Å
40	E	25.3	Very low	24.6	Very low	192 Å²	192	152.3 Å²	152.3	90%	0.897	80%	0.804	S	S	*	*			trans	-51.5	120.7	166.9	-63.3	170.2	153.6	0	0	110.3
41	T	29.4	Very low	24.7	Very low	124 Å²	124	155 Å²	155	76%	0.761	81%	0.808	S	S	*	*			trans	-144	105.3	156.4	16.4	0	0	0	0	109.3	K39 T43	K39-T41 PolarHBondContact O-N 3.49Å; T41-T43 PolarHBondContact O-N 2.78Å; T41-T43 VanDerWaalsContact O-N 3.16Å
42	T	24	Very low	24.9	Very low	146 Å²	146	156.4 Å²	156.4	90%	0.896	81%	0.805	S	S	*	*			trans	-52.9	105.4	167.4	28.8	0	0	0	0	110.7
43	T	28	Very low	25.2	Very low	122 Å²	122	156.5 Å²	156.5	75%	0.748	81%	0.807	S	S	*	*			trans	-130.6	107.9	161.9	30.4	0	0	0	0	109.5	T41 S45	T41-T43 PolarHBondContact O-N 2.78Å; T41-T43 VanDerWaalsContact O-N 3.16Å; T43-S45 PolarHBondContact O-N 3.24Å; T43-S45 VanDerWaalsContact O-N 3.07Å
44	Q	26	Very low	25.3	Very low	209 Å²	209	152.5 Å²	152.5	98%	0.977	80%	0.797	S	S	*	*			trans	-55.9	106.3	167.2	-71	169.7	-30.5	0	0	108.6
45	S	25.7	Very low	25.7	Very low	104 Å²	104	149.9 Å²	149.9	73%	0.727	78%	0.78	S	S	*	*			trans	-131.5	138.2	165.5	59.7	0	0	0	0	108.9	T43	T43-S45 PolarHBondContact O-N 3.24Å; T43-S45 VanDerWaalsContact O-N 3.07Å
46	F	23.6	Very low	25.9	Very low	194 Å²	194	149.1 Å²	149.1	85%	0.851	78%	0.781	S	S	*	*			trans	-45.1	152	-171.2	-79.8	-100.2	0	0	0	113.4	Q48	F46-Q48 PolarHBondContact O-N 2.81Å
47	P	26.9	Very low	26.1	Very low	121 Å²	121	145.6 Å²	145.6	79%	0.786	77%	0.768	S	S	*	*			trans	-62.9	92.6	172.8	27.7	-32.1	0	0	0	108.2	M49	P47-M49 PolarHBondContact O-N 2.77Å
48	Q	25.4	Very low	26.3	Very low	174 Å²	174	142 Å²	142	81%	0.813	76%	0.762	S	S	*	*			trans	-59.8	96.5	152.7	-123.8	174.9	-13.5	0	0	103.3	F46 V50	F46-Q48 PolarHBondContact O-N 2.81Å; Q48-V50 PolarHBondContact O-N 2.82Å
49	M	23.2	Very low	26.3	Very low	160 Å²	160	142.2 Å²	142.2	79%	0.788	76%	0.758	S	S	*	*			trans	-57.9	84.7	154	-105.2	179.9	60.9	0	0	104.7	P47 M51	P47-M49 PolarHBondContact O-N 2.77Å; M49-M51 HydrophobicContact CE-CG 4.33Å; M49-M51 PolarHBondContact O-N 3.36Å
50	V	24.2	Very low	26.3	Very low	107 Å²	107	141.9 Å²	141.9	65%	0.648	77%	0.765	S	S	*	*			trans	-56.7	94.3	151.8	179.5	0	0	0	0	101.9	Q48 E52	Q48-V50 PolarHBondContact O-N 2.82Å; V50-E52 HydrophobicContact CG1-CG 4.2Å; V50-E52 PolarHBondContact O-N 3.11Å
51	M	23	Very low	26.5	Very low	152 Å²	152	136.1 Å²	136.1	75%	0.749	74%	0.743	S	S	*	*			trans	-58.4	92.2	155	-78.6	-166.8	-70.9	0	0	103	M49 N53	M49-M51 HydrophobicContact CE-CG 4.33Å; M49-M51 PolarHBondContact O-N 3.36Å; M51-N53 PolarHBondContact O-N 2.85Å
52	E	25.3	Very low	26.8	Very low	162 Å²	162	138.9 Å²	138.9	76%	0.757	75%	0.747	S	S	*	*			trans	-52.6	97	160.2	-76.6	-178.9	158.9	0	0	104.1	V50 S54	V50-E52 HydrophobicContact CG1-CG 4.2Å; V50-E52 PolarHBondContact O-N 3.11Å; E52-S54 PolarHBondContact O-N 3.46Å
53	N	28.2	Very low	27.4	Very low	147 Å²	147	137.5 Å²	137.5	79%	0.786	73%	0.734	S	S	*	*			trans	-59.4	71.1	148.7	-92.5	-6	0	0	0	105.1	M51 E55	M51-N53 PolarHBondContact O-N 2.85Å; N53-E55 PolarHBondContact O-N 3.05Å
54	S	26.6	Very low	27.6	Very low	83 Å²	83	140.5 Å²	140.5	58%	0.58	74%	0.737	S	S	*	*			trans	-65.1	83.6	147.3	51.4	0	0	0	0	103.7	E52 N56	E52-S54 PolarHBondContact O-N 3.46Å; S54-N56 PolarHBondContact O-N 3.22Å
55	E	31	Very low	28.3	Very low	118 Å²	118	135.1 Å²	135.1	55%	0.551	72%	0.715	S	S	*	*			trans	-44.4	97.8	146.7	-71	178.3	160	0	0	104.4	N53 C57 N384	N53-E55 PolarHBondContact O-N 3.05Å; E55-C57 PolarHBondContact O-N 3.04Å; E55-N384 PolarHBondContact OE1-ND2 3.3Å
56	N	28.2	Very low	28.9	Very low	148 Å²	148	136.7 Å²	136.7	79%	0.791	71%	0.712	S	S	*	*			trans	-65.2	68.7	159.9	-87.2	-35.1	0	0	0	105.7	S54 T58	S54-N56 PolarHBondContact O-N 3.22Å; N56-T58 PolarHBondContact O-N 3.34Å
57	C	27.4	Very low	29.7	Very low	83 Å²	83	129.6 Å²	129.6	56%	0.561	68%	0.683	S	S	*	*			trans	-50.5	104.2	148.8	-73.2	0	0	0	0	103.7	E55 N59	E55-C57 PolarHBondContact O-N 3.04Å; C57-N59 VanDerWaalsContact C-N 3.26Å; C57-N59 PolarHBondContact O-N 2.69Å
58	T	28	Very low	30.6	Very low	118 Å²	118	126.7 Å²	126.7	72%	0.724	66%	0.66	S	S	*	*			trans	-55.9	102	168	37.6	0	0	0	0	105.9	N56 L60	N56-T58 PolarHBondContact O-N 3.34Å; T58-L60 PolarHBondContact O-N 3.28Å; T58-L60 VanDerWaalsContact O-N 3.17Å
59	N	25	Very low	31.8	Very low	133 Å²	133	125.8 Å²	125.8	71%	0.711	66%	0.66	S	S	*	*			trans	-48.6	125.8	169.5	-78.2	-20.4	0	0	0	106.9	C57 T61	C57-N59 VanDerWaalsContact C-N 3.26Å; C57-N59 PolarHBondContact O-N 2.69Å; N59-T61 HydrophobicContact CB-CG2 4.28Å; N59-T61 PolarHBondContact O-N 2.58Å
60	L	27.4	Very low	33.4	Very low	182 Å²	182	120 Å²	120	95%	0.953	63%	0.632	S	S	*	*			trans	-61.4	83.6	162.3	-89.3	102.4	0	0	0	106.5	T58 E62	T58-L60 PolarHBondContact O-N 3.28Å; T58-L60 VanDerWaalsContact O-N 3.17Å; L60-E62 PolarHBondContact O-N 3.47Å
61	T	30.7	Very low	35.6	Very low	71 Å²	71	116.3 Å²	116.3	44%	0.436	61%	0.608	S	S	.	*			trans	-73.7	111.6	172.4	45.9	0	0	0	0	107.6	N59 D63	N59-T61 HydrophobicContact CB-CG2 4.28Å; N59-T61 PolarHBondContact O-N 2.58Å; T61-D63 PolarHBondContact O-N 3.07Å
62	E	34	Very low	38.3	Very low	183 Å²	183	112.4 Å²	112.4	86%	0.855	59%	0.587	S	S	*	*			trans	49.6	21.1	140	-65.6	-179.5	158.7	0	0	119.4	L60 K64	L60-E62 PolarHBondContact O-N 3.47Å; E62-K64 PolarHBondContact O-N 3.44Å
63	D	37.2	Very low	41.4	Very low	117 Å²	117	110.6 Å²	110.6	63%	0.626	58%	0.579	S	S	*	*			trans	-73.6	48.4	164.1	-70.4	-31.2	0	0	0	110.3	T61 D65 L458	T61-D63 PolarHBondContact O-N 3.07Å; D63-D65 PolarHBondContact O-N 3.29Å; D63-L458 HydrophobicContact CB-CD1 4.18Å; D63-L458 HydrophobicContact CB-CD2 4.47Å
64	K	33.4	Very low	44.3	Very low	184 Å²	184	104.1 Å²	104.1	80%	0.8	54%	0.544	S	S	*	.			trans	-62.8	102.6	169.7	-90.7	-174.1	173.2	-179.2	0	108	E62 M66	E62-K64 PolarHBondContact O-N 3.44Å; K64-M66 PolarHBondContact O-N 2.83Å; K64-M66 VanDerWaalsContact O-N 3.16Å
65	D	40.5	Very low	47.3	Very low	97 Å²	97	104 Å²	104	52%	0.519	54%	0.535	S	S	.	.	S	Bend	trans	68.5	15.1	141	-63.6	-22.8	0	0	0	119.3	D63 I67 M68	D63-D65 PolarHBondContact O-N 3.29Å; D65-I67 PolarHBondContact O-N 3.09Å; D65-M68 HydrophobicContact CB-CB 3.93Å; D65-M68 HydrophobicContact CB-CG 3.48Å; D65-M68 VanDerWaalsContact CB-CG 3.48Å; D65-M68 WeakPolarHBondContact O-CB 3.27Å; D65-M68 PolarHBondContact O-N 2.6Å; D65-M68 WeakPolarHBondContact OD1-CG 3.32Å
66	M	37.2	Very low	49.9	Very low	136 Å²	136	98.7 Å²	98.7	67%	0.67	51%	0.51	S	S	*	.	T	Hydrogen-bonded Turn	trans	-62.2	-23	158.5	-75.1	-168.6	73.6	0	0	112.3	K64 M68 L70 L458	K64-M66 PolarHBondContact O-N 2.83Å; K64-M66 VanDerWaalsContact O-N 3.16Å; M66-M68 VanDerWaalsContact C-N 3.25Å; M66-L70 WeakPolarHBondContact O-CD1 3.48Å; M66-L458 HydrophobicContact CB-CD2 4.26Å
67	I	40.2	Very low	52.4	Low	46 Å²	46	94.1 Å²	94.1	24%	0.236	49%	0.489	C	S	.	.	T	Hydrogen-bonded Turn	trans	-69.8	-27.3	172.8	-52.8	-179.7	0	0	0	110.6	D65 D69 L70 F71 Y105 L458	D65-I67 PolarHBondContact O-N 3.09Å; I67-D69 VanDerWaalsContact C-N 3.28Å; I67-D69 PolarHBondContact O-N 2.88Å; I67-L70 WeakPolarHBondContact O-CB 3.16Å; I67-L70 PolarHBondContact O-N 2.99Å; I67-F71 HydrophobicContact CB-CE2 4.24Å; I67-F71 HydrophobicContact CG2-CE2 3.61Å; I67-F71 HydrophobicContact CG2-CZ 3.81Å; I67-F71 WeakPolarHBondContact O-CD2 3.37Å; I67-F71 WeakPolarHBondContact O-CE2 3.28Å; I67-Y105 HydrophobicContact CG2-CD2 3.59Å; I67-Y105 HydrophobicContact CG2-CE2 3.67Å; I67-Y105 HydrophobicContact CG2-CG 4.11Å; I67-L458 HydrophobicContact CD1-CD1 3.59Å; I67-L458 HydrophobicContact CG1-CD1 3.68Å; I67-L458 HydrophobicContact CG1-CG 4.13Å
68	M	45.7	Very low	54.8	Low	60 Å²	60	90.4 Å²	90.4	30%	0.296	46%	0.464	S	S	.	.	G	3₁₀ helix	trans	-64.2	-31.6	-172	-71.3	-68.1	-65.6	0	0	113.5	D65 M66 L70 F71 R107	D65-M68 HydrophobicContact CB-CB 3.93Å; D65-M68 HydrophobicContact CB-CG 3.48Å; D65-M68 VanDerWaalsContact CB-CG 3.48Å; D65-M68 WeakPolarHBondContact O-CB 3.27Å; D65-M68 PolarHBondContact O-N 2.6Å; D65-M68 WeakPolarHBondContact OD1-CG 3.32Å; M66-M68 VanDerWaalsContact C-N 3.25Å; M68-L70 PolarHBondContact O-N 3.21Å; M68-F71 VanDerWaalsContact CA-CD2 3.46Å; M68-F71 HydrophobicContact CG-CE2 4.34Å; M68-F71 WeakPolarHBondContact O-CD2 3.35Å; M68-F71 PolarHBondContact O-N 3.35Å; M68-F71 HydrophobicContact SD-CD2 3.98Å; M68-F71 HydrophobicContact SD-CE2 3.6Å; M68-F71 VanDerWaalsContact SD-CE2 3.6Å; M68-F71 HydrophobicContact SD-CZ 4.42Å; M68-R107 VanDerWaalsContact CE-CZ 3.4Å; M68-R107 VanDerWaalsContact CE-NH2 3.28Å; M68-R107 PolarHBondContact SD-NH2 3.05Å
69	D	51.8	Low	56.9	Low	154 Å²	154	88.7 Å²	88.7	82%	0.824	45%	0.45	S	S	*	.	G	3₁₀ helix	trans	-75	-4.2	178.4	-70	-16.1	0	0	0	113.6	I67	I67-D69 VanDerWaalsContact C-N 3.28Å; I67-D69 PolarHBondContact O-N 2.88Å
70	L	57.2	Low	59	Low	38 Å²	38	82.5 Å²	82.5	20%	0.199	42%	0.417	C	S	.	.	G	3₁₀ helix	trans	-109.6	3	-178.1	-62.4	143.4	0	0	0	112.9	M66 I67 M68 G456	M66-L70 WeakPolarHBondContact O-CD1 3.48Å; I67-L70 WeakPolarHBondContact O-CB 3.16Å; I67-L70 PolarHBondContact O-N 2.99Å; M68-L70 PolarHBondContact O-N 3.21Å; L70-G456 VanDerWaalsContact CD1-C 3.48Å; L70-G456 WeakPolarHBondContact CD1-O 3.33Å
71	F	69.6	Low	60.7	Low	31 Å²	31	75.7 Å²	75.7	14%	0.136	38%	0.382	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.6	124.4	172.7	-68	-91	0	0	0	109.4	I67 M68 Y105 R107 N128	I67-F71 HydrophobicContact CB-CE2 4.24Å; I67-F71 HydrophobicContact CG2-CE2 3.61Å; I67-F71 HydrophobicContact CG2-CZ 3.81Å; I67-F71 WeakPolarHBondContact O-CD2 3.37Å; I67-F71 WeakPolarHBondContact O-CE2 3.28Å; M68-F71 VanDerWaalsContact CA-CD2 3.46Å; M68-F71 HydrophobicContact CG-CE2 4.34Å; M68-F71 WeakPolarHBondContact O-CD2 3.35Å; M68-F71 PolarHBondContact O-N 3.35Å; M68-F71 HydrophobicContact SD-CD2 3.98Å; M68-F71 HydrophobicContact SD-CE2 3.6Å; M68-F71 VanDerWaalsContact SD-CE2 3.6Å; M68-F71 HydrophobicContact SD-CZ 4.42Å; F71-Y105 WeakPolarHBondContact CA-O 3.46Å; F71-Y105 HydrophobicContact CE1-CD1 4.29Å; F71-Y105 AromaticContact CE1-CG 3.99Å; F71-Y105 HydrophobicContact CE1-CG 3.99Å; F71-Y105 HydrophobicContact CZ-CG 4.23Å; F71-R107 HydrophobicContact CB-CB 4.08Å; F71-R107 HydrophobicContact CD1-CB 3.84Å; F71-R107 HydrophobicContact CG-CB 4.21Å; F71-N128 HydrophobicContact CE1-CB 3.84Å; F71-N128 VanDerWaalsContact CE1-CG 3.49Å; F71-N128 HydrophobicContact CZ-CB 4.47Å
72	E	79.9	Confident	62.1	Low	70 Å²	70	76 Å²	76	33%	0.327	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.4	121.4	157.4	-156.2	168.1	172.3	0	0	107.9	V99 S100 T103 Y105 A106 R107	E72-V99 VanDerWaalsContact OE2-CA 3.3Å; E72-V99 WeakPolarHBondContact OE2-CA 3.38Å; E72-V99 WeakPolarHBondContact OE2-CB 3.36Å; E72-V99 WeakPolarHBondContact OE2-CG1 3.33Å; E72-S100 PolarHBondContact OE2-N 2.81Å; E72-T103 HydrophobicContact CB-CG2 3.69Å; E72-T103 PolarHBondContact OE2-OG1 3.09Å; E72-Y105 PolarHBondContact N-O 2.51Å; E72-A106 WeakPolarHBondContact O-CA 3.38Å; E72-R107 PolarHBondContact O-N 3.34Å
73	E	89.7	Confident	62.9	Low	123 Å²	123	71.1 Å²	71.1	58%	0.575	36%	0.358	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-80.4	122.3	177	-69	-162.2	156.7	0	0	109.8	R107 W126	E73-R107 WeakPolarHBondContact CA-O 3.24Å; E73-R107 HydrophobicContact CG-CB 4.5Å; E73-W126 HydrophobicContact CB-CH2 3.82Å; E73-W126 HydrophobicContact CB-CZ3 4.26Å; E73-W126 HydrophobicContact CG-CH2 4.19Å; E73-W126 HydrophobicContact CG-CZ2 4.5Å
74	I	89.5	Confident	63.6	Low	12 Å²	12	73 Å²	73	6%	0.062	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	114.4	-178.2	-59.9	175.1	0	0	0	108.5	I76 I97 V99 A106 R107 V108 R109 I177	I74-I76 HydrophobicContact CG2-CG1 4.13Å; I74-I97 HydrophobicContact CD1-CG2 4.02Å; I74-I97 HydrophobicContact CG1-CG2 4.47Å; I74-I97 HydrophobicContact CG2-CD1 3.51Å; I74-I97 HydrophobicContact CG2-CG2 4.26Å; I74-V99 HydrophobicContact CD1-CG1 3.86Å; I74-A106 HydrophobicContact CD1-CB 3.79Å; I74-R107 PolarHBondContact N-O 3.13Å; I74-V108 HydrophobicContact CB-CG2 4.14Å; I74-V108 HydrophobicContact CD1-CG2 4.46Å; I74-V108 HydrophobicContact CG2-CG1 4.46Å; I74-V108 VanDerWaalsContact O-CA 3.25Å; I74-V108 WeakPolarHBondContact O-CA 3.43Å; I74-R109 PolarHBondContact O-N 3.45Å; I74-I177 HydrophobicContact CD1-CD1 3.53Å; I74-I177 HydrophobicContact CD1-CG1 4.05Å
75	E	89.4	Confident	64.4	Low	81 Å²	81	70.2 Å²	70.2	38%	0.379	37%	0.366	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-100.8	122.2	171.9	-173.9	169.1	118.8	0	0	110	R109 H111	E75-R109 HydrophobicContact CG-CG 4.23Å; E75-R109 IonicContact OE2-CZ 3.12Å; E75-R109 IonicContact OE2-NE 2.77Å; E75-R109 PolarHBondContact OE2-NE 3.08Å; E75-R109 IonicContact OE2-NH2 2.66Å; E75-R109 PolarHBondContact OE2-NH2 3.33Å; E75-H111 HydrophobicContact CG-CB 3.62Å; E75-H111 WeakPolarHBondContact OE1-CB 3.27Å; E75-H111 IonicContact OE1-CE1 3.89Å; E75-H111 IonicContact OE1-CG 3.99Å; E75-H111 IonicContact OE1-ND1 2.81Å; E75-H111 PolarHBondContact OE1-ND1 3.41Å
76	I	86.2	Confident	64.8	Low	5 Å²	5	69.5 Å²	69.5	3%	0.026	36%	0.359	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103	110.8	177.6	-61.1	174.3	0	0	0	108.5	I74 V78 L95 I97 V108 R109 L110 H111 F175	I74-I76 HydrophobicContact CG2-CG1 4.13Å; I76-V78 HydrophobicContact CG2-CG2 4.04Å; I76-L95 HydrophobicContact CB-CD1 4.45Å; I76-L95 HydrophobicContact CD1-CD1 4.46Å; I76-L95 HydrophobicContact CG1-CD1 4.37Å; I76-L95 HydrophobicContact CG2-CD1 3.38Å; I76-I97 HydrophobicContact CD1-CD1 4.16Å; I76-I97 HydrophobicContact CG1-CD1 4.09Å; I76-V108 HydrophobicContact CD1-CG1 3.75Å; I76-V108 HydrophobicContact CG1-CG1 4.2Å; I76-R109 PolarHBondContact N-O 3.05Å; I76-L110 HydrophobicContact CB-CD2 3.83Å; I76-L110 HydrophobicContact CD1-CD2 4.37Å; I76-L110 HydrophobicContact CG2-CD2 4.08Å; I76-L110 WeakPolarHBondContact O-CA 3.46Å; I76-H111 PolarHBondContact O-N 3.38Å; I76-F175 HydrophobicContact CD1-CB 4.14Å; I76-F175 HydrophobicContact CD1-CD1 3.82Å; I76-F175 HydrophobicContact CD1-CD2 3.95Å; I76-F175 HydrophobicContact CD1-CE1 4.22Å; I76-F175 HydrophobicContact CD1-CE2 4.3Å; I76-F175 HydrophobicContact CD1-CG 3.69Å; I76-F175 HydrophobicContact CD1-CZ 4.45Å
77	S	81.4	Confident	65.4	Low	52 Å²	52	63.7 Å²	63.7	36%	0.364	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.9	129.3	170	-68.5	0	0	0	0	110.9	L92 H111 E113	S77-L92 WeakPolarHBondContact O-CD1 3.49Å; S77-H111 CarbonylContact C-O 3.51Å; S77-H111 VanDerWaalsContact CA-O 3.29Å; S77-H111 WeakPolarHBondContact CA-O 3.32Å; S77-E113 WeakPolarHBondContact CB-OE1 3.33Å; S77-E113 PolarHBondContact OG-OE1 2.87Å
78	V	77.5	Confident	65.9	Low	5 Å²	5	63.1 Å²	63.1	3%	0.03	33%	0.331	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.1	118.7	178.2	-175.7	0	0	0	0	109.2	I76 A89 L92 L110 H111 I112 E113 V173	I76-V78 HydrophobicContact CG2-CG2 4.04Å; V78-A89 HydrophobicContact CG1-CB 4.13Å; V78-L92 HydrophobicContact CB-CD1 4.21Å; V78-L92 HydrophobicContact CG1-CD1 4.04Å; V78-L92 HydrophobicContact CG2-CD1 4.33Å; V78-L110 HydrophobicContact CG2-CB 4.45Å; V78-L110 HydrophobicContact CG2-CD2 4.13Å; V78-H111 PolarHBondContact N-O 3.14Å; V78-I112 WeakPolarHBondContact O-CA 3.27Å; V78-E113 PolarHBondContact O-N 3.04Å; V78-V173 HydrophobicContact CG2-CG2 4.21Å
79	L	72.2	Confident	66.2	Low	82 Å²	82	60.7 Å²	60.7	43%	0.429	32%	0.32	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.1	126.9	169.8	-166.4	79.5	0	0	0	109.4	E113	L79-E113 HydrophobicContact CD1-CB 4.34Å
80	C	67.9	Low	66	Low	4 Å²	4	58.9 Å²	58.9	3%	0.027	31%	0.305	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.9	128.3	172.9	-170.5	0	0	0	0	110.4	V87 I112 C117	C80-V87 VanDerWaalsContact SG-CG1 3.6Å; C80-I112 HydrophobicContact CB-CG2 4.3Å; C80-C117 VanDerWaalsContact CA-SG 3.56Å; C80-C117 HydrophobicContact CB-CB 3.76Å; C80-C117 WeakPolarHBondContact CB-SG 3.22Å; C80-C117 PolarHBondContact O-SG 2.82Å; C80-C117 VanDerWaalsContact O-SG 3.41Å; C80-C117 WeakPolarHBondContact SG-CB 3.47Å; C80-C117 CovalentContact SG-SG 2.03Å; C80-C117 PolarHBondContact SG-SG 2.95Å
81	D	64.4	Low	65.3	Low	38 Å²	38	64.8 Å²	64.8	20%	0.203	33%	0.329	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.5	149.2	-170.4	-156.3	9	0	0	0	111.6	S88 C117	D81-S88 PolarHBondContact N-O 3.33Å; D81-S88 PolarHBondContact O-N 3.04Å; D81-C117 PolarHBondContact N-SG 2.91Å
82	H	58.9	Low	64.3	Low	79 Å²	79	66.6 Å²	66.6	37%	0.366	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.1	116.8	172	-87	-88.4	0	0	0	111	K86 V87 E116	H82-K86 CarbonylContact C-O 3.5Å; H82-K86 VanDerWaalsContact CA-O 3.31Å; H82-K86 WeakPolarHBondContact CA-O 3.39Å; H82-V87 WeakPolarHBondContact CE1-CG2 3.47Å; H82-E116 WeakPolarHBondContact CB-OE2 3.41Å; H82-E116 PolarHBondContact N-OE2 3.05Å; H82-E116 VanDerWaalsContact N-OE2 3.14Å
83	L	50.9	Low	62.9	Low	80 Å²	80	70 Å²	70	42%	0.419	36%	0.359	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	122.6	171.1	-91.7	149.2	0	0	0	109.4	S85 K86 S88 K90	L83-S85 PolarHBondContact O-N 3.02Å; L83-K86 PolarHBondContact N-O 3Å; L83-K86 WeakPolarHBondContact O-CA 3.34Å; L83-K86 WeakPolarHBondContact O-CB 3.23Å; L83-K86 PolarHBondContact O-N 3.3Å; L83-K86 VanDerWaalsContact O-O 3.07Å; L83-S88 WeakPolarHBondContact CD1-OG 3.35Å; L83-K90 HydrophobicContact CD1-CG 4.41Å
84	E	52	Low	61.5	Low	157 Å²	157	69.3 Å²	69.3	73%	0.734	36%	0.358	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.2	53	176.3	-61.2	-177.2	173.5	0	0	113	K86	E84-K86 PolarHBondContact O-N 3.24Å; E84-K86 VanDerWaalsContact O-N 3.12Å
85	S	50.4	Low	60.8	Low	125 Å²	125	71.1 Å²	71.1	87%	0.874	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	61.8	12.3	-176.9	39.4	0	0	0	0	115.6	L83	L83-S85 PolarHBondContact O-N 3.02Å
86	K	49.4	Very low	60.6	Low	82 Å²	82	72 Å²	72	36%	0.357	38%	0.375	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.3	138.8	176	-63.7	174.6	-171.4	163.2	0	111.3	H82 L83 E84 S88 A155 E157	H82-K86 CarbonylContact C-O 3.5Å; H82-K86 VanDerWaalsContact CA-O 3.31Å; H82-K86 WeakPolarHBondContact CA-O 3.39Å; L83-K86 PolarHBondContact N-O 3Å; L83-K86 WeakPolarHBondContact O-CA 3.34Å; L83-K86 WeakPolarHBondContact O-CB 3.23Å; L83-K86 PolarHBondContact O-N 3.3Å; L83-K86 VanDerWaalsContact O-O 3.07Å; E84-K86 PolarHBondContact O-N 3.24Å; E84-K86 VanDerWaalsContact O-N 3.12Å; K86-S88 PolarHBondContact O-N 3.41Å; K86-A155 HydrophobicContact CD-CB 4.38Å; K86-E157 IonicContact NZ-OE1 2.63Å; K86-E157 PolarHBondContact NZ-OE1 3.14Å
87	V	49.7	Very low	60.7	Low	13 Å²	13	73.6 Å²	73.6	8%	0.079	38%	0.383	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.4	123.2	175.7	-171.5	0	0	0	0	109	C80 H82 C117 R151 L152	C80-V87 VanDerWaalsContact SG-CG1 3.6Å; H82-V87 WeakPolarHBondContact CE1-CG2 3.47Å; V87-C117 HydrophobicContact CG1-CB 3.71Å; V87-C117 WeakPolarHBondContact CG1-SG 3.47Å; V87-R151 HydrophobicContact CG2-CB 4.45Å; V87-R151 WeakPolarHBondContact CG2-O 3.48Å; V87-L152 HydrophobicContact CB-CD2 4.4Å; V87-L152 HydrophobicContact CG1-CD2 3.73Å; V87-L152 HydrophobicContact CG1-CG 4.4Å
88	S	51	Low	61	Low	34 Å²	34	75.3 Å²	75.3	24%	0.238	40%	0.395	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-135.2	136.3	171.9	69.8	0	0	0	0	111.6	D81 L83 K86 K90	D81-S88 PolarHBondContact N-O 3.33Å; D81-S88 PolarHBondContact O-N 3.04Å; L83-S88 WeakPolarHBondContact CD1-OG 3.35Å; K86-S88 PolarHBondContact O-N 3.41Å; S88-K90 PolarHBondContact O-N 3.31Å
89	A	51.4	Low	61.5	Low	9 Å²	9	75.8 Å²	75.8	7%	0.074	40%	0.398	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.1	113	159.4	0	0	0	0	0	106.3	V78 M170	V78-A89 HydrophobicContact CG1-CB 4.13Å; A89-M170 HydrophobicContact CB-CB 4.38Å; A89-M170 HydrophobicContact CB-SD 4.48Å
90	K	46.3	Very low	61.8	Low	117 Å²	117	74.3 Å²	74.3	51%	0.509	40%	0.395	S	S	.	.			trans	-64.9	143.5	-177.2	-151.5	171.5	-170.3	166.6	0	108.8	L83 S88 L92	L83-K90 HydrophobicContact CD1-CG 4.41Å; S88-K90 PolarHBondContact O-N 3.31Å; K90-L92 PolarHBondContact O-N 3.14Å
91	K	44.3	Very low	62	Low	161 Å²	161	77 Å²	77	70%	0.7	41%	0.409	S	S	*	.			trans	-59.5	79.4	174.6	-168.1	-176.5	-172.9	-179.9	0	109.4	I93 M170	K91-I93 PolarHBondContact O-N 3.31Å; K91-I93 VanDerWaalsContact O-N 3.11Å; K91-M170 HydrophobicContact CB-CE 4.44Å; K91-M170 HydrophobicContact CG-CE 4.46Å
92	L	47.4	Very low	62.2	Low	70 Å²	70	78.6 Å²	78.6	37%	0.366	42%	0.423	S	S	.	.			trans	-57.2	119.8	166.4	-82.1	145.2	0	0	0	105.4	S77 V78 K90 L94	S77-L92 WeakPolarHBondContact O-CD1 3.49Å; V78-L92 HydrophobicContact CB-CD1 4.21Å; V78-L92 HydrophobicContact CG1-CD1 4.04Å; V78-L92 HydrophobicContact CG2-CD1 4.33Å; K90-L92 PolarHBondContact O-N 3.14Å; L92-L94 PolarHBondContact O-N 3.4Å
93	I	51.8	Low	62.9	Low	141 Å²	141	75.1 Å²	75.1	72%	0.723	41%	0.407	S	S	*	.			trans	-11.4	122.5	163.4	-61.7	157.1	0	0	0	109.9	K91 L95	K91-I93 PolarHBondContact O-N 3.31Å; K91-I93 VanDerWaalsContact O-N 3.11Å; I93-L95 WeakPolarHBondContact O-CA 3.39Å; I93-L95 WeakPolarHBondContact O-CG 3.36Å; I93-L95 PolarHBondContact O-N 3.35Å
94	L	59.3	Low	63.9	Low	108 Å²	108	72.7 Å²	72.7	57%	0.565	39%	0.394	S	S	*	.			trans	-43.8	100.8	178.9	-154.4	99.7	0	0	0	109.1	L92 N96 N176	L92-L94 PolarHBondContact O-N 3.4Å; L94-N96 PolarHBondContact O-N 3.28Å; L94-N96 VanDerWaalsContact O-N 3.07Å; L94-N176 WeakPolarHBondContact CD2-ND2 3.38Å
95	L	74	Confident	65.4	Low	51 Å²	51	68.3 Å²	68.3	27%	0.267	37%	0.372	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-73.8	110.3	-165.3	-75	170.2	0	0	0	107.5	I76 I93 I97 F175 N176	I76-L95 HydrophobicContact CB-CD1 4.45Å; I76-L95 HydrophobicContact CD1-CD1 4.46Å; I76-L95 HydrophobicContact CG1-CD1 4.37Å; I76-L95 HydrophobicContact CG2-CD1 3.38Å; I93-L95 WeakPolarHBondContact O-CA 3.39Å; I93-L95 WeakPolarHBondContact O-CG 3.36Å; I93-L95 PolarHBondContact O-N 3.35Å; L95-I97 HydrophobicContact CB-CD1 4.44Å; L95-I97 HydrophobicContact CB-CG1 4.28Å; L95-F175 HydrophobicContact CB-CB 4.02Å; L95-N176 PolarHBondContact O-N 2.93Å
96	N	85.5	Confident	67.1	Low	99 Å²	99	62.4 Å²	62.4	53%	0.529	33%	0.33	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	105.7	172.1	-71.5	-23.2	0	0	0	107.7	L94 N176 I178	L94-N96 PolarHBondContact O-N 3.28Å; L94-N96 VanDerWaalsContact O-N 3.07Å; N96-N176 VanDerWaalsContact OD1-CB 3.32Å; N96-N176 WeakPolarHBondContact OD1-CB 3.46Å; N96-N176 PolarHBondContact OD1-ND2 3.26Å; N96-I178 HydrophobicContact CB-CD1 3.82Å
97	I	88.4	Confident	69	Low	39 Å²	39	61 Å²	61	20%	0.2	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	114.3	-177.8	-52.8	174.9	0	0	0	106.8	I74 I76 L95 F175 N176 I177 I178	I74-I97 HydrophobicContact CD1-CG2 4.02Å; I74-I97 HydrophobicContact CG1-CG2 4.47Å; I74-I97 HydrophobicContact CG2-CD1 3.51Å; I74-I97 HydrophobicContact CG2-CG2 4.26Å; I76-I97 HydrophobicContact CD1-CD1 4.16Å; I76-I97 HydrophobicContact CG1-CD1 4.09Å; L95-I97 HydrophobicContact CB-CD1 4.44Å; L95-I97 HydrophobicContact CB-CG1 4.28Å; I97-F175 HydrophobicContact CD1-CD2 4.3Å; I97-N176 PolarHBondContact N-O 2.79Å; I97-I177 CarbonylContact O-C 3.47Å; I97-I177 WeakPolarHBondContact O-CA 3.38Å; I97-I178 PolarHBondContact O-N 3.43Å
98	S	89	Confident	70.9	Confident	88 Å²	88	60.3 Å²	60.3	62%	0.615	32%	0.319	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-84.1	133.6	174.7	-57.4	0	0	0	0	108.8	I178	S98-I178 WeakPolarHBondContact CA-O 3.43Å
99	V	86.3	Confident	72.8	Confident	14 Å²	14	61.8 Å²	61.8	9%	0.085	32%	0.319	C	S	.	.			trans	-113.9	165.7	178.2	-70.8	0	0	0	0	110.3	E72 I74 T103 V131 I177 I178 R179	E72-V99 VanDerWaalsContact OE2-CA 3.3Å; E72-V99 WeakPolarHBondContact OE2-CA 3.38Å; E72-V99 WeakPolarHBondContact OE2-CB 3.36Å; E72-V99 WeakPolarHBondContact OE2-CG1 3.33Å; I74-V99 HydrophobicContact CD1-CG1 3.86Å; V99-T103 HydrophobicContact CB-CG2 3.97Å; V99-T103 HydrophobicContact CG1-CG2 4.28Å; V99-T103 HydrophobicContact CG2-CG2 4.19Å; V99-V131 HydrophobicContact CG2-CG1 4.08Å; V99-I177 HydrophobicContact CB-CG2 4.2Å; V99-I177 HydrophobicContact CG1-CG2 3.6Å; V99-I177 HydrophobicContact CG2-CG2 3.53Å; V99-I178 WeakPolarHBondContact CG2-O 3Å; V99-I178 PolarHBondContact N-O 2.79Å; V99-R179 HydrophobicContact CG2-CB 3.81Å; V99-R179 HydrophobicContact CG2-CG 4.21Å
100	S	80.3	Confident	74.5	Confident	51 Å²	51	61.4 Å²	61.4	36%	0.357	32%	0.316	S	S	.	.			trans	-54.6	148.7	172.9	-176.6	0	0	0	0	111.3	E72 S102 T103	E72-S100 PolarHBondContact OE2-N 2.81Å; S100-S102 PolarHBondContact O-N 3.32Å; S100-S102 PolarHBondContact OG-N 3Å; S100-S102 PolarHBondContact OG-OG 3.15Å; S100-T103 WeakPolarHBondContact CB-OG1 3.04Å; S100-T103 PolarHBondContact N-OG1 2.94Å; S100-T103 VanDerWaalsContact O-CB 3.32Å; S100-T103 WeakPolarHBondContact O-CB 3.29Å; S100-T103 PolarHBondContact O-N 2.65Å; S100-T103 PolarHBondContact O-OG1 3.01Å
101	D	70.5	Confident	76.4	Confident	61 Å²	61	57.5 Å²	57.5	33%	0.326	30%	0.299	S	S	.	.	T	Hydrogen-bonded Turn	trans	-62	-26.2	174.6	59.6	1.8	0	0	0	112.2	R179 S180 P182	D101-R179 PolarHBondContact O-NH1 3.24Å; D101-S180 WeakPolarHBondContact CB-O 3.38Å; D101-P182 WeakPolarHBondContact OD2-CD 3.27Å; D101-P182 WeakPolarHBondContact OD2-CG 3.38Å
102	S	69.1	Low	78.2	Confident	71 Å²	71	50 Å²	50	50%	0.497	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-81.8	-9.6	173.5	59.6	0	0	0	0	114.7	S100 L104	S100-S102 PolarHBondContact O-N 3.32Å; S100-S102 PolarHBondContact OG-N 3Å; S100-S102 PolarHBondContact OG-OG 3.15Å; S102-L104 PolarHBondContact O-N 3.22Å; S102-L104 VanDerWaalsContact O-N 3.09Å
103	T	74.7	Confident	79.7	Confident	7 Å²	7	50.3 Å²	50.3	4%	0.043	27%	0.266	C	S	.	.			trans	-72.5	102.6	-176.4	-62	0	0	0	0	111.1	E72 V99 S100 Y105 R179	E72-T103 HydrophobicContact CB-CG2 3.69Å; E72-T103 PolarHBondContact OE2-OG1 3.09Å; V99-T103 HydrophobicContact CB-CG2 3.97Å; V99-T103 HydrophobicContact CG1-CG2 4.28Å; V99-T103 HydrophobicContact CG2-CG2 4.19Å; S100-T103 WeakPolarHBondContact CB-OG1 3.04Å; S100-T103 PolarHBondContact N-OG1 2.94Å; S100-T103 VanDerWaalsContact O-CB 3.32Å; S100-T103 WeakPolarHBondContact O-CB 3.29Å; S100-T103 PolarHBondContact O-N 2.65Å; S100-T103 PolarHBondContact O-OG1 3.01Å; T103-Y105 VanDerWaalsContact CG2-O 3.22Å; T103-Y105 WeakPolarHBondContact CG2-O 3.49Å; T103-R179 WeakPolarHBondContact O-CD 3.34Å
104	L	71.9	Confident	81	Confident	28 Å²	28	50.2 Å²	50.2	15%	0.147	26%	0.261	C	S	.	.			trans	-93.1	-21	176	-64.2	176.9	0	0	0	113	S102 V131 L457	S102-L104 PolarHBondContact O-N 3.22Å; S102-L104 VanDerWaalsContact O-N 3.09Å; L104-V131 PolarHBondContact O-N 2.98Å; L104-L457 HydrophobicContact CD1-CD1 4.01Å; L104-L457 HydrophobicContact CD1-CD2 3.35Å; L104-L457 HydrophobicContact CD1-CG 3.58Å
105	Y	81.8	Confident	81.7	Confident	66 Å²	66	46.2 Å²	46.2	26%	0.259	25%	0.246	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	140.8	176	-59.2	-91.9	0	0	0	109.9	I67 F71 E72 T103 Y129 S130	I67-Y105 HydrophobicContact CG2-CD2 3.59Å; I67-Y105 HydrophobicContact CG2-CE2 3.67Å; I67-Y105 HydrophobicContact CG2-CG 4.11Å; F71-Y105 WeakPolarHBondContact CA-O 3.46Å; F71-Y105 HydrophobicContact CE1-CD1 4.29Å; F71-Y105 AromaticContact CE1-CG 3.99Å; F71-Y105 HydrophobicContact CE1-CG 3.99Å; F71-Y105 HydrophobicContact CZ-CG 4.23Å; E72-Y105 PolarHBondContact N-O 2.51Å; T103-Y105 VanDerWaalsContact CG2-O 3.22Å; T103-Y105 WeakPolarHBondContact CG2-O 3.49Å; Y105-Y129 CarbonylContact C-O 3.5Å; Y105-Y129 VanDerWaalsContact CA-O 3.28Å; Y105-Y129 WeakPolarHBondContact CA-O 3.48Å; Y105-S130 WeakPolarHBondContact CE1-OG 3.29Å
106	A	86.1	Confident	81.5	Confident	0 Å²	0	49.6 Å²	49.6	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.4	133.5	172.5	0	0	0	0	0	108.9	E72 I74 V108 Y129 V131 I177	E72-A106 WeakPolarHBondContact O-CA 3.38Å; I74-A106 HydrophobicContact CD1-CB 3.79Å; A106-V108 HydrophobicContact CB-CG2 4.34Å; A106-Y129 PolarHBondContact N-O 3.36Å; A106-Y129 PolarHBondContact O-N 2.75Å; A106-V131 HydrophobicContact CB-CG2 3.63Å; A106-I177 HydrophobicContact CB-CD1 3.44Å; A106-I177 VanDerWaalsContact CB-CD1 3.44Å
107	R	89.8	Confident	80.7	Confident	52 Å²	52	46 Å²	46	20%	0.196	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	114.3	175	-177.5	175.3	-94.1	-176.3	0.3	107.2	M68 F71 E72 E73 I74 W126 N128	M68-R107 VanDerWaalsContact CE-CZ 3.4Å; M68-R107 VanDerWaalsContact CE-NH2 3.28Å; M68-R107 PolarHBondContact SD-NH2 3.05Å; F71-R107 HydrophobicContact CB-CB 4.08Å; F71-R107 HydrophobicContact CD1-CB 3.84Å; F71-R107 HydrophobicContact CG-CB 4.21Å; E72-R107 PolarHBondContact O-N 3.34Å; E73-R107 WeakPolarHBondContact CA-O 3.24Å; E73-R107 HydrophobicContact CG-CB 4.5Å; I74-R107 PolarHBondContact N-O 3.13Å; R107-W126 HydrophobicContact CB-CE3 4.33Å; R107-W126 HydrophobicContact CG-CB 3.66Å; R107-W126 HydrophobicContact CG-CD2 3.72Å; R107-W126 HydrophobicContact CG-CE3 3.47Å; R107-W126 VanDerWaalsContact CG-CE3 3.47Å; R107-W126 HydrophobicContact CG-CG 3.86Å; R107-W126 HydrophobicContact CG-CZ3 4.23Å; R107-W126 WeakPolarHBondContact O-CZ3 3.22Å; R107-N128 PolarHBondContact NE-OD1 2.94Å
108	V	90.5	Very high	80	Confident	0 Å²	0	44.9 Å²	44.9	0%	0	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.9	135.8	-170.8	-173.4	0	0	0	0	110.1	I74 I76 A106 V127 Y129 Y140 F175 I177	I74-V108 HydrophobicContact CB-CG2 4.14Å; I74-V108 HydrophobicContact CD1-CG2 4.46Å; I74-V108 HydrophobicContact CG2-CG1 4.46Å; I74-V108 VanDerWaalsContact O-CA 3.25Å; I74-V108 WeakPolarHBondContact O-CA 3.43Å; I76-V108 HydrophobicContact CD1-CG1 3.75Å; I76-V108 HydrophobicContact CG1-CG1 4.2Å; A106-V108 HydrophobicContact CB-CG2 4.34Å; V108-V127 PolarHBondContact N-O 3.07Å; V108-V127 PolarHBondContact O-N 2.85Å; V108-Y129 HydrophobicContact CB-CD2 4.01Å; V108-Y129 HydrophobicContact CB-CE2 3.85Å; V108-Y129 HydrophobicContact CG2-CD2 3.61Å; V108-Y129 HydrophobicContact CG2-CE2 3.94Å; V108-Y140 HydrophobicContact CG1-CD2 4.28Å; V108-Y140 WeakPolarHBondContact O-CE2 3.47Å; V108-F175 HydrophobicContact CB-CZ 4.27Å; V108-F175 HydrophobicContact CG1-CE1 4.4Å; V108-F175 HydrophobicContact CG1-CE2 4.26Å; V108-F175 HydrophobicContact CG1-CZ 3.89Å; V108-F175 HydrophobicContact CG2-CE2 3.98Å; V108-F175 HydrophobicContact CG2-CZ 3.9Å; V108-I177 HydrophobicContact CG2-CD1 4.31Å
109	R	90.3	Very high	79.4	Confident	65 Å²	65	47.4 Å²	47.4	25%	0.245	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.3	154.8	165.4	73.1	179.6	178.1	-168.3	0	110.4	I74 E75 I76 W126	I74-R109 PolarHBondContact O-N 3.45Å; E75-R109 HydrophobicContact CG-CG 4.23Å; E75-R109 IonicContact OE2-CZ 3.12Å; E75-R109 IonicContact OE2-NE 2.77Å; E75-R109 PolarHBondContact OE2-NE 3.08Å; E75-R109 IonicContact OE2-NH2 2.66Å; E75-R109 PolarHBondContact OE2-NH2 3.33Å; I76-R109 PolarHBondContact N-O 3.05Å; R109-W126 HydrophobicContact CB-CD2 3.87Å; R109-W126 HydrophobicContact CB-CE3 3.48Å; R109-W126 VanDerWaalsContact CB-CE3 3.48Å; R109-W126 HydrophobicContact CB-CH2 4.48Å; R109-W126 HydrophobicContact CB-CZ3 3.85Å; R109-W126 HydrophobicContact CG-CD2 4.02Å; R109-W126 HydrophobicContact CG-CE3 3.66Å; R109-W126 HydrophobicContact CG-CH2 3.72Å; R109-W126 HydrophobicContact CG-CZ2 4.03Å; R109-W126 HydrophobicContact CG-CZ3 3.52Å
110	L	86.6	Confident	79.2	Confident	1 Å²	1	52.9 Å²	52.9	1%	0.005	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.3	134.8	167.1	-50.6	-179.3	0	0	0	110.3	I76 V78 I112 T124 Y140 I142 V173	I76-L110 HydrophobicContact CB-CD2 3.83Å; I76-L110 HydrophobicContact CD1-CD2 4.37Å; I76-L110 HydrophobicContact CG2-CD2 4.08Å; I76-L110 WeakPolarHBondContact O-CA 3.46Å; V78-L110 HydrophobicContact CG2-CB 4.45Å; V78-L110 HydrophobicContact CG2-CD2 4.13Å; L110-I112 HydrophobicContact CB-CG1 4.38Å; L110-T124 WeakPolarHBondContact CA-OG1 3.28Å; L110-T124 HydrophobicContact CB-CG2 3.86Å; L110-T124 WeakPolarHBondContact CB-OG1 3.41Å; L110-T124 PolarHBondContact N-OG1 2.86Å; L110-T124 PolarHBondContact O-N 2.85Å; L110-T124 PolarHBondContact O-OG1 2.84Å; L110-Y140 HydrophobicContact CD1-CD1 3.41Å; L110-Y140 VanDerWaalsContact CD1-CD1 3.41Å; L110-Y140 HydrophobicContact CD1-CE1 3.81Å; L110-Y140 HydrophobicContact CD1-CG 4.12Å; L110-Y140 HydrophobicContact CD2-CD1 4.19Å; L110-Y140 HydrophobicContact CD2-CG 4.07Å; L110-Y140 HydrophobicContact CG-CD1 3.53Å; L110-Y140 HydrophobicContact CG-CD2 4.37Å; L110-Y140 HydrophobicContact CG-CE1 3.8Å; L110-Y140 HydrophobicContact CG-CG 3.86Å; L110-I142 HydrophobicContact CD1-CD1 4.22Å; L110-I142 HydrophobicContact CD1-CG1 3.69Å; L110-V173 HydrophobicContact CD1-CB 4.38Å; L110-V173 HydrophobicContact CD1-CG2 3.72Å; L110-V173 HydrophobicContact CD2-CB 4.22Å; L110-V173 HydrophobicContact CD2-CG1 4.48Å; L110-V173 HydrophobicContact CD2-CG2 4.19Å
111	H	86.2	Confident	79.4	Confident	34 Å²	34	53.4 Å²	53.4	16%	0.157	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.7	103.8	165.9	171.1	-179.7	0	0	0	107	E75 I76 S77 V78 E113 T121 F123	E75-H111 HydrophobicContact CG-CB 3.62Å; E75-H111 WeakPolarHBondContact OE1-CB 3.27Å; E75-H111 IonicContact OE1-CE1 3.89Å; E75-H111 IonicContact OE1-CG 3.99Å; E75-H111 IonicContact OE1-ND1 2.81Å; E75-H111 PolarHBondContact OE1-ND1 3.41Å; I76-H111 PolarHBondContact O-N 3.38Å; S77-H111 CarbonylContact C-O 3.51Å; S77-H111 VanDerWaalsContact CA-O 3.29Å; S77-H111 WeakPolarHBondContact CA-O 3.32Å; V78-H111 PolarHBondContact N-O 3.14Å; H111-E113 PolarHBondContact O-N 2.79Å; H111-T121 WeakPolarHBondContact CD2-CG2 3.36Å; H111-T121 WeakPolarHBondContact NE2-CG2 3.28Å; H111-F123 HydrophobicContact CB-CD1 4.21Å; H111-F123 HydrophobicContact CB-CE1 3.98Å; H111-F123 AromaticContact CG-CE1 3.7Å; H111-F123 AromaticContact ND1-CE1 3.88Å
112	I	82.3	Confident	80	Confident	4 Å²	4	51.4 Å²	51.4	2%	0.021	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.4	110.1	-179.9	-53.3	178.5	0	0	0	107.4	V78 C80 L110 T118 T121 I122 T124 I146 L150	V78-I112 WeakPolarHBondContact O-CA 3.27Å; C80-I112 HydrophobicContact CB-CG2 4.3Å; L110-I112 HydrophobicContact CB-CG1 4.38Å; I112-T118 HydrophobicContact CG2-CG2 4.38Å; I112-T121 WeakPolarHBondContact O-CA 3.44Å; I112-I122 HydrophobicContact CB-CB 4.25Å; I112-I122 PolarHBondContact N-O 3.3Å; I112-I122 PolarHBondContact O-N 3.05Å; I112-T124 HydrophobicContact CD1-CG2 4.15Å; I112-I146 HydrophobicContact CD1-CG2 4.11Å; I112-L150 HydrophobicContact CD1-CD1 3.66Å; I112-L150 HydrophobicContact CG2-CD2 4.4Å
113	E	80.1	Confident	80.9	Confident	76 Å²	76	52.9 Å²	52.9	36%	0.355	26%	0.257	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.8	150	-175.7	-68.5	-179.1	-175.5	0	0	111.1	S77 V78 L79 H111 G115	S77-E113 WeakPolarHBondContact CB-OE1 3.33Å; S77-E113 PolarHBondContact OG-OE1 2.87Å; V78-E113 PolarHBondContact O-N 3.04Å; L79-E113 HydrophobicContact CD1-CB 4.34Å; H111-E113 PolarHBondContact O-N 2.79Å; E113-G115 PolarHBondContact O-N 3.17Å
114	K	78.1	Confident	81.5	Confident	139 Å²	139	53 Å²	53	60%	0.604	26%	0.257	S	S	*	.	S	Bend	trans	-57.4	126.5	171.7	178.6	-179.7	178.1	178.2	0	109.2	N119	K114-N119 VanDerWaalsContact CD-O 3.28Å; K114-N119 WeakPolarHBondContact CD-O 3.24Å; K114-N119 WeakPolarHBondContact CE-O 3.12Å
115	G	73.4	Confident	82.3	Confident	24 Å²	24	57.3 Å²	57.3	25%	0.247	28%	0.275	C	S	.	.	B	Isolated β-bridge	trans	-161.4	-162.6	-175	0	0	0	0	0	111.1	E113 C117 T118	E113-G115 PolarHBondContact O-N 3.17Å; G115-C117 PolarHBondContact O-N 2.94Å; G115-T118 PolarHBondContact N-O 3.37Å; G115-T118 VanDerWaalsContact N-O 3.08Å; G115-T118 CarbonylContact O-C 3.48Å; G115-T118 PolarHBondContact O-N 3.12Å
116	E	70.4	Confident	82.6	Confident	123 Å²	123	57.7 Å²	57.7	58%	0.575	28%	0.276	S	S	*	.	T	Hydrogen-bonded Turn	trans	-63.7	-28.9	-173.6	-58	-166.2	151.8	0	0	113.2	H82	H82-E116 WeakPolarHBondContact CB-OE2 3.41Å; H82-E116 PolarHBondContact N-OE2 3.05Å; H82-E116 VanDerWaalsContact N-OE2 3.14Å
117	C	69.1	Low	82.6	Confident	23 Å²	23	59.6 Å²	59.6	16%	0.155	29%	0.288	C	S	.	.	T	Hydrogen-bonded Turn	trans	-83.1	-23.1	-179.5	-33	0	0	0	0	114.3	C80 D81 V87 G115 L150	C80-C117 VanDerWaalsContact CA-SG 3.56Å; C80-C117 HydrophobicContact CB-CB 3.76Å; C80-C117 WeakPolarHBondContact CB-SG 3.22Å; C80-C117 PolarHBondContact O-SG 2.82Å; C80-C117 VanDerWaalsContact O-SG 3.41Å; C80-C117 WeakPolarHBondContact SG-CB 3.47Å; C80-C117 CovalentContact SG-SG 2.03Å; C80-C117 PolarHBondContact SG-SG 2.95Å; D81-C117 PolarHBondContact N-SG 2.91Å; V87-C117 HydrophobicContact CG1-CB 3.71Å; V87-C117 WeakPolarHBondContact CG1-SG 3.47Å; G115-C117 PolarHBondContact O-N 2.94Å; C117-L150 HydrophobicContact CB-CD2 4.46Å
118	T	73.6	Confident	82.4	Confident	15 Å²	15	61 Å²	61	9%	0.092	30%	0.299	C	S	.	.	B	Isolated β-bridge	trans	-148.5	129.4	-172.5	177.4	0	0	0	0	111.6	I112 G115 Q120 L150	I112-T118 HydrophobicContact CG2-CG2 4.38Å; G115-T118 PolarHBondContact N-O 3.37Å; G115-T118 VanDerWaalsContact N-O 3.08Å; G115-T118 CarbonylContact O-C 3.48Å; G115-T118 PolarHBondContact O-N 3.12Å; T118-Q120 WeakPolarHBondContact CG2-O 3.5Å; T118-Q120 PolarHBondContact O-N 2.98Å; T118-Q120 PolarHBondContact OG1-N 3.18Å; T118-Q120 PolarHBondContact OG1-O 3.28Å; T118-L150 HydrophobicContact CG2-CD2 3.92Å
119	N	76.6	Confident	82	Confident	142 Å²	142	62.7 Å²	62.7	76%	0.759	31%	0.306	S	S	*	.	S	Bend	trans	-78	-4.7	178.9	-70.1	-14.2	0	0	0	113.7	K114	K114-N119 VanDerWaalsContact CD-O 3.28Å; K114-N119 WeakPolarHBondContact CD-O 3.24Å; K114-N119 WeakPolarHBondContact CE-O 3.12Å
120	Q	81.5	Confident	81.5	Confident	128 Å²	128	63.6 Å²	63.6	60%	0.598	32%	0.322	S	S	*	.	S	Bend	trans	-135.8	151.8	-180	64.1	-174.4	-17.3	0	0	111.1	T118 I122	T118-Q120 WeakPolarHBondContact CG2-O 3.5Å; T118-Q120 PolarHBondContact O-N 2.98Å; T118-Q120 PolarHBondContact OG1-N 3.18Å; T118-Q120 PolarHBondContact OG1-O 3.28Å; Q120-I122 HydrophobicContact CG-CG1 4.37Å
121	T	84.2	Confident	81.1	Confident	63 Å²	63	63.8 Å²	63.8	39%	0.387	32%	0.323	S	S	.	.			trans	-68.3	134.3	170.1	-58.6	0	0	0	0	110.2	H111 I112 F123	H111-T121 WeakPolarHBondContact CD2-CG2 3.36Å; H111-T121 WeakPolarHBondContact NE2-CG2 3.28Å; I112-T121 WeakPolarHBondContact O-CA 3.44Å; T121-F123 HydrophobicContact CG2-CD2 4.42Å; T121-F123 HydrophobicContact CG2-CE2 3.81Å; T121-F123 HydrophobicContact CG2-CZ 4.07Å
122	I	83.7	Confident	80.5	Confident	19 Å²	19	63.2 Å²	63.2	10%	0.097	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119	124.3	179.7	-56.4	175.4	0	0	0	109.7	I112 Q120 I146 L150	I112-I122 HydrophobicContact CB-CB 4.25Å; I112-I122 PolarHBondContact N-O 3.3Å; I112-I122 PolarHBondContact O-N 3.05Å; Q120-I122 HydrophobicContact CG-CG1 4.37Å; I122-I146 HydrophobicContact CG2-CD1 4.16Å; I122-I146 HydrophobicContact CG2-CG2 4.1Å; I122-L150 HydrophobicContact CD1-CD2 3.98Å; I122-L150 HydrophobicContact CD1-CG 4.46Å
123	F	87.1	Confident	80.1	Confident	102 Å²	102	65.8 Å²	65.8	45%	0.447	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.4	124	168.7	-66	-85.6	0	0	0	109.5	H111 T121	H111-F123 HydrophobicContact CB-CD1 4.21Å; H111-F123 HydrophobicContact CB-CE1 3.98Å; H111-F123 AromaticContact CG-CE1 3.7Å; H111-F123 AromaticContact ND1-CE1 3.88Å; T121-F123 HydrophobicContact CG2-CD2 4.42Å; T121-F123 HydrophobicContact CG2-CE2 3.81Å; T121-F123 HydrophobicContact CG2-CZ 4.07Å
124	T	88.5	Confident	80.2	Confident	9 Å²	9	63.7 Å²	63.7	6%	0.055	34%	0.339	C	S	.	.	P	Polyproline II helix	trans	-80.2	168.5	174.3	61.2	0	0	0	0	111.1	L110 I112 Y140 I146	L110-T124 WeakPolarHBondContact CA-OG1 3.28Å; L110-T124 HydrophobicContact CB-CG2 3.86Å; L110-T124 WeakPolarHBondContact CB-OG1 3.41Å; L110-T124 PolarHBondContact N-OG1 2.86Å; L110-T124 PolarHBondContact O-N 2.85Å; L110-T124 PolarHBondContact O-OG1 2.84Å; I112-T124 HydrophobicContact CD1-CG2 4.15Å; T124-Y140 VanDerWaalsContact CB-OH 3.26Å; T124-Y140 WeakPolarHBondContact CB-OH 3.35Å; T124-Y140 HydrophobicContact CG2-CE1 4.5Å; T124-Y140 PolarHBondContact OG1-OH 2.76Å; T124-Y140 VanDerWaalsContact OG1-OH 3.1Å; T124-I146 HydrophobicContact CG2-CD1 3.77Å
125	K	87.5	Confident	80.5	Confident	119 Å²	119	61 Å²	61	52%	0.517	33%	0.334	S	S	.	.	P	Polyproline II helix	trans	-65.8	147.1	176	66.6	-170.7	178.3	-162.2	0	111.3	V127 Y140 D143	K125-V127 HydrophobicContact CG-CG2 4.4Å; K125-Y140 PolarHBondContact O-OH 2.99Å; K125-D143 IonicContact NZ-OD2 3.41Å; K125-D143 PolarHBondContact NZ-OD2 2.89Å
126	W	89.2	Confident	81.1	Confident	73 Å²	73	61.2 Å²	61.2	28%	0.277	33%	0.329	S	S	.	.	P	Polyproline II helix	trans	-64.7	136.9	169.3	-70.9	115	0	0	0	111.1	E73 R107 R109	E73-W126 HydrophobicContact CB-CH2 3.82Å; E73-W126 HydrophobicContact CB-CZ3 4.26Å; E73-W126 HydrophobicContact CG-CH2 4.19Å; E73-W126 HydrophobicContact CG-CZ2 4.5Å; R107-W126 HydrophobicContact CB-CE3 4.33Å; R107-W126 HydrophobicContact CG-CB 3.66Å; R107-W126 HydrophobicContact CG-CD2 3.72Å; R107-W126 HydrophobicContact CG-CE3 3.47Å; R107-W126 VanDerWaalsContact CG-CE3 3.47Å; R107-W126 HydrophobicContact CG-CG 3.86Å; R107-W126 HydrophobicContact CG-CZ3 4.23Å; R107-W126 WeakPolarHBondContact O-CZ3 3.22Å; R109-W126 HydrophobicContact CB-CD2 3.87Å; R109-W126 HydrophobicContact CB-CE3 3.48Å; R109-W126 VanDerWaalsContact CB-CE3 3.48Å; R109-W126 HydrophobicContact CB-CH2 4.48Å; R109-W126 HydrophobicContact CB-CZ3 3.85Å; R109-W126 HydrophobicContact CG-CD2 4.02Å; R109-W126 HydrophobicContact CG-CE3 3.66Å; R109-W126 HydrophobicContact CG-CH2 3.72Å; R109-W126 HydrophobicContact CG-CZ2 4.03Å; R109-W126 HydrophobicContact CG-CZ3 3.52Å
127	V	86.1	Confident	81.8	Confident	41 Å²	41	63.6 Å²	63.6	25%	0.248	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.2	127.9	173.3	-179.9	0	0	0	0	108.5	V108 K125 Y129 Y140	V108-V127 PolarHBondContact N-O 3.07Å; V108-V127 PolarHBondContact O-N 2.85Å; K125-V127 HydrophobicContact CG-CG2 4.4Å; V127-Y129 HydrophobicContact CB-CE2 3.86Å; V127-Y129 HydrophobicContact CG1-CD2 4.35Å; V127-Y129 HydrophobicContact CG1-CE1 4.37Å; V127-Y129 HydrophobicContact CG1-CE2 3.62Å; V127-Y129 WeakPolarHBondContact O-CD2 3.43Å; V127-Y140 HydrophobicContact CB-CD2 4.24Å; V127-Y140 HydrophobicContact CB-CE2 3.83Å; V127-Y140 HydrophobicContact CG2-CD2 4.18Å; V127-Y140 HydrophobicContact CG2-CE2 3.45Å; V127-Y140 VanDerWaalsContact CG2-CE2 3.45Å
128	N	84.7	Confident	82.7	Confident	81 Å²	81	63.9 Å²	63.9	43%	0.433	34%	0.338	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	133.7	179.3	-66.1	-8.8	0	0	0	110.2	F71 R107	F71-N128 HydrophobicContact CE1-CB 3.84Å; F71-N128 VanDerWaalsContact CE1-CG 3.49Å; F71-N128 HydrophobicContact CZ-CB 4.47Å; R107-N128 PolarHBondContact NE-OD1 2.94Å
129	Y	83.1	Confident	83.3	Confident	36 Å²	36	70.3 Å²	70.3	14%	0.141	36%	0.36	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.8	138	172.2	-63.8	-87.6	0	0	0	109.6	Y105 A106 V108 V127 L138 R139 Y140 F175	Y105-Y129 CarbonylContact C-O 3.5Å; Y105-Y129 VanDerWaalsContact CA-O 3.28Å; Y105-Y129 WeakPolarHBondContact CA-O 3.48Å; A106-Y129 PolarHBondContact N-O 3.36Å; A106-Y129 PolarHBondContact O-N 2.75Å; V108-Y129 HydrophobicContact CB-CD2 4.01Å; V108-Y129 HydrophobicContact CB-CE2 3.85Å; V108-Y129 HydrophobicContact CG2-CD2 3.61Å; V108-Y129 HydrophobicContact CG2-CE2 3.94Å; V127-Y129 HydrophobicContact CB-CE2 3.86Å; V127-Y129 HydrophobicContact CG1-CD2 4.35Å; V127-Y129 HydrophobicContact CG1-CE1 4.37Å; V127-Y129 HydrophobicContact CG1-CE2 3.62Å; V127-Y129 WeakPolarHBondContact O-CD2 3.43Å; Y129-L138 HydrophobicContact CD1-CB 4.34Å; Y129-L138 HydrophobicContact CD1-CD1 3.97Å; Y129-L138 HydrophobicContact CD1-CD2 3.86Å; Y129-L138 HydrophobicContact CD1-CG 4.28Å; Y129-L138 HydrophobicContact CD2-CD1 4.45Å; Y129-L138 HydrophobicContact CE1-CB 4.42Å; Y129-L138 HydrophobicContact CG-CD1 3.79Å; Y129-L138 HydrophobicContact CG-CD2 4.44Å; Y129-R139 PolarHBondContact OH-O 2.8Å; Y129-Y140 HydrophobicContact CE2-CD2 4.48Å; Y129-Y140 VanDerWaalsContact OH-CA 3.3Å; Y129-Y140 WeakPolarHBondContact OH-CA 3.49Å; Y129-F175 HydrophobicContact CD2-CZ 4.39Å; Y129-F175 HydrophobicContact CE2-CZ 4.12Å
130	S	79.1	Confident	83.7	Confident	84 Å²	84	63.6 Å²	63.6	59%	0.587	32%	0.324	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-76.3	136.1	164.6	-60.2	0	0	0	0	109.2	Y105	Y105-S130 WeakPolarHBondContact CE1-OG 3.29Å
131	V	77.9	Confident	83.7	Confident	5 Å²	5	61.4 Å²	61.4	3%	0.03	32%	0.32	C	S	.	.			trans	-115.6	110.1	-176.6	-176	0	0	0	0	109.2	V99 L104 A106 N136 I177 R179	V99-V131 HydrophobicContact CG2-CG1 4.08Å; L104-V131 PolarHBondContact O-N 2.98Å; A106-V131 HydrophobicContact CB-CG2 3.63Å; V131-N136 WeakPolarHBondContact CG1-ND2 3.5Å; V131-I177 HydrophobicContact CB-CG2 4.47Å; V131-I177 HydrophobicContact CG1-CB 4.4Å; V131-I177 HydrophobicContact CG1-CG2 3.52Å; V131-I177 HydrophobicContact CG2-CD1 4.1Å; V131-I177 HydrophobicContact CG2-CG2 4.05Å; V131-R179 HydrophobicContact CG1-CB 3.9Å
132	G	74.6	Confident	83.5	Confident	22 Å²	22	58.8 Å²	58.8	23%	0.227	30%	0.303	C	S	.	.			trans	-81.7	174.8	173	0	0	0	0	0	112.4	N136 R179	G132-N136 WeakPolarHBondContact CA-OD1 3.15Å; G132-N136 PolarHBondContact N-OD1 3.22Å; G132-N136 PolarHBondContact O-ND2 3.18Å; G132-R179 WeakPolarHBondContact O-CB 3.33Å
133	L	73	Confident	83.3	Confident	57 Å²	57	60.7 Å²	60.7	30%	0.298	31%	0.314	S	S	.	.	S	Bend	trans	-68.6	144.5	170.3	-71.7	177.7	0	0	0	111.7	R179 L181 M512	L133-R179 HydrophobicContact CD2-CG 4.22Å; L133-R179 VanDerWaalsContact CD2-CZ 3.46Å; L133-L181 HydrophobicContact CD1-CD1 3.88Å; L133-L181 HydrophobicContact CD1-CD2 4Å; L133-L181 HydrophobicContact CD1-CG 3.83Å; L133-L181 HydrophobicContact CD2-CD2 3.75Å; L133-L181 HydrophobicContact CD2-CG 3.72Å; L133-L181 HydrophobicContact CG-CG 4.45Å; L133-M512 HydrophobicContact CD1-CB 4.42Å; L133-M512 WeakPolarHBondContact CD1-O 3.28Å
134	G	81.8	Confident	82.7	Confident	33 Å²	33	59.3 Å²	59.3	34%	0.34	32%	0.317	S	S	.	.	E	Extended strand (participates in β ladder)	trans	85.2	-148.2	-178.9	0	0	0	0	0	112.9	N136 I178 R179	G134-N136 PolarHBondContact O-ND2 3.12Å; G134-I178 WeakPolarHBondContact O-CA 3.49Å; G134-R179 PolarHBondContact N-O 3.25Å; G134-R179 PolarHBondContact O-N 2.69Å
135	V	85.3	Confident	82.2	Confident	82 Å²	82	65.4 Å²	65.4	50%	0.497	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	108	-175.1	-175.5	0	0	0	0	110.1	N176 I178	V135-N176 HydrophobicContact CG1-CB 3.96Å; V135-I178 HydrophobicContact CG1-CG1 4.46Å; V135-I178 HydrophobicContact CG2-CD1 4.33Å; V135-I178 HydrophobicContact CG2-CG1 4.19Å
136	N	86.1	Confident	81.6	Confident	28 Å²	28	60.7 Å²	60.7	15%	0.15	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.2	109.3	175.7	-58.7	-90.2	0	0	0	109.1	V131 G132 G134 L138 N176 I177	V131-N136 WeakPolarHBondContact CG1-ND2 3.5Å; G132-N136 WeakPolarHBondContact CA-OD1 3.15Å; G132-N136 PolarHBondContact N-OD1 3.22Å; G132-N136 PolarHBondContact O-ND2 3.18Å; G134-N136 PolarHBondContact O-ND2 3.12Å; N136-L138 HydrophobicContact CB-CD2 4.48Å; N136-L138 HydrophobicContact CB-CG 4.31Å; N136-L138 PolarHBondContact O-N 3.24Å; N136-N176 CarbonylContact O-C 3.55Å; N136-N176 VanDerWaalsContact O-CA 3.24Å; N136-N176 WeakPolarHBondContact O-CA 3.38Å; N136-I177 HydrophobicContact CB-CB 4.4Å; N136-I177 WeakPolarHBondContact CB-O 3.16Å; N136-I177 PolarHBondContact N-O 3.08Å; N136-I177 PolarHBondContact ND2-O 3.44Å; N136-I177 VanDerWaalsContact ND2-O 3.07Å; N136-I177 PolarHBondContact O-N 3.49Å
137	K	86	Confident	80.7	Confident	174 Å²	174	57.7 Å²	57.7	76%	0.757	31%	0.312	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-83.1	110.4	176.8	-59.9	-175	-179.4	176.7	0	109.3
138	L	86.7	Confident	80	Confident	29 Å²	29	60.7 Å²	60.7	15%	0.152	33%	0.326	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-117.2	159.5	-174	-59.4	179.7	0	0	0	111.3	Y129 N136 N174 F175 I177	Y129-L138 HydrophobicContact CD1-CB 4.34Å; Y129-L138 HydrophobicContact CD1-CD1 3.97Å; Y129-L138 HydrophobicContact CD1-CD2 3.86Å; Y129-L138 HydrophobicContact CD1-CG 4.28Å; Y129-L138 HydrophobicContact CD2-CD1 4.45Å; Y129-L138 HydrophobicContact CE1-CB 4.42Å; Y129-L138 HydrophobicContact CG-CD1 3.79Å; Y129-L138 HydrophobicContact CG-CD2 4.44Å; N136-L138 HydrophobicContact CB-CD2 4.48Å; N136-L138 HydrophobicContact CB-CG 4.31Å; N136-L138 PolarHBondContact O-N 3.24Å; L138-N174 WeakPolarHBondContact O-CA 3.27Å; L138-F175 HydrophobicContact CB-CD1 4.38Å; L138-F175 HydrophobicContact CB-CD2 4.27Å; L138-F175 HydrophobicContact CB-CE1 3.85Å; L138-F175 HydrophobicContact CB-CE2 3.75Å; L138-F175 HydrophobicContact CB-CZ 3.5Å; L138-F175 VanDerWaalsContact CB-CZ 3.5Å; L138-F175 HydrophobicContact CD1-CE2 3.78Å; L138-F175 HydrophobicContact CD1-CZ 3.99Å; L138-F175 HydrophobicContact CG-CE2 4.37Å; L138-F175 HydrophobicContact CG-CZ 4.41Å; L138-F175 PolarHBondContact N-O 3.48Å; L138-F175 PolarHBondContact O-N 2.81Å; L138-F175 VanDerWaalsContact O-O 3.04Å; L138-I177 HydrophobicContact CD1-CB 4.26Å; L138-I177 HydrophobicContact CD1-CD1 3.54Å; L138-I177 HydrophobicContact CD1-CG1 3.85Å
139	R	85.6	Confident	79.4	Confident	150 Å²	150	61.5 Å²	61.5	57%	0.566	33%	0.328	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.7	114.6	-178.5	179.7	-175.5	-67	178.6	4.8	109.8	Y129 S172 V173 N174	Y129-R139 PolarHBondContact OH-O 2.8Å; R139-S172 WeakPolarHBondContact CD-OG 3.37Å; R139-V173 WeakPolarHBondContact CA-O 3.46Å; R139-N174 WeakPolarHBondContact CG-OD1 3.25Å; R139-N174 PolarHBondContact NE-OD1 3.18Å
140	Y	85.6	Confident	78.7	Confident	0 Å²	0	60 Å²	60	0%	0	32%	0.322	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	119.5	170.2	-169.6	-73.1	0	0	0	109.3	V108 L110 T124 K125 V127 Y129 S172 V173	V108-Y140 HydrophobicContact CG1-CD2 4.28Å; V108-Y140 WeakPolarHBondContact O-CE2 3.47Å; L110-Y140 HydrophobicContact CD1-CD1 3.41Å; L110-Y140 VanDerWaalsContact CD1-CD1 3.41Å; L110-Y140 HydrophobicContact CD1-CE1 3.81Å; L110-Y140 HydrophobicContact CD1-CG 4.12Å; L110-Y140 HydrophobicContact CD2-CD1 4.19Å; L110-Y140 HydrophobicContact CD2-CG 4.07Å; L110-Y140 HydrophobicContact CG-CD1 3.53Å; L110-Y140 HydrophobicContact CG-CD2 4.37Å; L110-Y140 HydrophobicContact CG-CE1 3.8Å; L110-Y140 HydrophobicContact CG-CG 3.86Å; T124-Y140 VanDerWaalsContact CB-OH 3.26Å; T124-Y140 WeakPolarHBondContact CB-OH 3.35Å; T124-Y140 HydrophobicContact CG2-CE1 4.5Å; T124-Y140 PolarHBondContact OG1-OH 2.76Å; T124-Y140 VanDerWaalsContact OG1-OH 3.1Å; K125-Y140 PolarHBondContact O-OH 2.99Å; V127-Y140 HydrophobicContact CB-CD2 4.24Å; V127-Y140 HydrophobicContact CB-CE2 3.83Å; V127-Y140 HydrophobicContact CG2-CD2 4.18Å; V127-Y140 HydrophobicContact CG2-CE2 3.45Å; V127-Y140 VanDerWaalsContact CG2-CE2 3.45Å; Y129-Y140 HydrophobicContact CE2-CD2 4.48Å; Y129-Y140 VanDerWaalsContact OH-CA 3.3Å; Y129-Y140 WeakPolarHBondContact OH-CA 3.49Å; Y140-S172 CarbonylContact O-C 3.48Å; Y140-S172 WeakPolarHBondContact O-CA 3.5Å; Y140-S172 VanDerWaalsContact O-CB 3.24Å; Y140-S172 WeakPolarHBondContact O-CB 3.29Å; Y140-V173 PolarHBondContact N-O 3.35Å; Y140-V173 PolarHBondContact O-N 3.41Å
141	T	83	Confident	78	Confident	82 Å²	82	66.1 Å²	66.1	50%	0.503	33%	0.332	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-96.6	122.4	175.6	-54	0	0	0	0	109.7	K171	T141-K171 CarbonylContact C-O 3.51Å; T141-K171 WeakPolarHBondContact CA-O 3.3Å; T141-K171 WeakPolarHBondContact CG2-O 3.32Å
142	I	79	Confident	77.1	Confident	9 Å²	9	66.5 Å²	66.5	5%	0.046	33%	0.334	C	S	.	.	P	Polyproline II helix	trans	-66.4	133.6	176.9	-60.7	167.5	0	0	0	108.3	L110 I146 L152 K171	L110-I142 HydrophobicContact CD1-CD1 4.22Å; L110-I142 HydrophobicContact CD1-CG1 3.69Å; I142-I146 HydrophobicContact CG2-CB 3.92Å; I142-I146 HydrophobicContact CG2-CG2 3.83Å; I142-L152 HydrophobicContact CD1-CD1 4.39Å; I142-K171 PolarHBondContact N-O 3.38Å
143	D	79	Confident	76	Confident	59 Å²	59	67.6 Å²	67.6	32%	0.316	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-60.3	142.1	177.9	-164.7	-78.3	0	0	0	111	K125 F145 I146 Y147	K125-D143 IonicContact NZ-OD2 3.41Å; K125-D143 PolarHBondContact NZ-OD2 2.89Å; D143-F145 PolarHBondContact O-N 3.38Å; D143-F145 VanDerWaalsContact O-N 3.17Å; D143-F145 PolarHBondContact OD1-N 3.02Å; D143-I146 PolarHBondContact O-N 3.28Å; D143-Y147 WeakPolarHBondContact O-CB 3.29Å; D143-Y147 PolarHBondContact O-N 2.85Å
144	S	74.9	Confident	74.6	Confident	73 Å²	73	70.6 Å²	70.6	51%	0.51	35%	0.35	S	S	.	.	H	α-helix	trans	-55.4	-37.7	-177.6	-163.2	0	0	0	0	111.7	I146 Y147 D148	S144-I146 PolarHBondContact O-N 3.45Å; S144-Y147 WeakPolarHBondContact O-CB 3.38Å; S144-Y147 PolarHBondContact O-N 3.46Å; S144-D148 WeakPolarHBondContact O-CB 3.34Å; S144-D148 PolarHBondContact O-N 3Å; S144-D148 VanDerWaalsContact O-OD2 3.11Å
145	F	77.8	Confident	72.7	Confident	136 Å²	136	70.3 Å²	70.3	60%	0.596	35%	0.345	S	S	*	.	H	α-helix	trans	-62.9	-43.8	179.5	-179.6	-99.9	0	0	0	112.2	D143 Q149	D143-F145 PolarHBondContact O-N 3.38Å; D143-F145 VanDerWaalsContact O-N 3.17Å; D143-F145 PolarHBondContact OD1-N 3.02Å; F145-Q149 VanDerWaalsContact CE1-CD 3.48Å; F145-Q149 HydrophobicContact CE1-CG 4.33Å; F145-Q149 HydrophobicContact CZ-CG 4.47Å; F145-Q149 WeakPolarHBondContact O-CG 3.4Å; F145-Q149 PolarHBondContact O-N 3.49Å
146	I	74.4	Confident	70.3	Confident	21 Å²	21	76 Å²	76	11%	0.108	36%	0.359	C	S	.	.	H	α-helix	trans	-70.5	-38.7	177.2	-61.9	179.5	0	0	0	110	I112 I122 T124 I142 D143 S144 D148 Q149 L150	I112-I146 HydrophobicContact CD1-CG2 4.11Å; I122-I146 HydrophobicContact CG2-CD1 4.16Å; I122-I146 HydrophobicContact CG2-CG2 4.1Å; T124-I146 HydrophobicContact CG2-CD1 3.77Å; I142-I146 HydrophobicContact CG2-CB 3.92Å; I142-I146 HydrophobicContact CG2-CG2 3.83Å; D143-I146 PolarHBondContact O-N 3.28Å; S144-I146 PolarHBondContact O-N 3.45Å; I146-D148 VanDerWaalsContact C-N 3.35Å; I146-D148 PolarHBondContact O-N 2.89Å; I146-Q149 PolarHBondContact O-N 3.41Å; I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.32Å; I146-L150 WeakPolarHBondContact O-CB 3.3Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 2.95Å
147	Y	72	Confident	67.8	Low	9 Å²	9	78.8 Å²	78.8	4%	0.035	37%	0.371	C	S	.	.	H	α-helix	trans	-59.4	-45.1	176.9	-174.3	-89.7	0	0	0	112	D143 S144 L150 R151 L152 K171	D143-Y147 WeakPolarHBondContact O-CB 3.29Å; D143-Y147 PolarHBondContact O-N 2.85Å; S144-Y147 WeakPolarHBondContact O-CB 3.38Å; S144-Y147 PolarHBondContact O-N 3.46Å; Y147-L150 PolarHBondContact O-N 3.44Å; Y147-R151 PolarHBondContact O-N 3.34Å; Y147-L152 HydrophobicContact CD1-CB 4.41Å; Y147-L152 HydrophobicContact CD2-CB 3.73Å; Y147-L152 HydrophobicContact CD2-CD1 3.38Å; Y147-L152 HydrophobicContact CD2-CG 4.18Å; Y147-L152 HydrophobicContact CE1-CB 4.01Å; Y147-L152 VanDerWaalsContact CE1-O 3.26Å; Y147-L152 WeakPolarHBondContact CE1-O 3.44Å; Y147-L152 HydrophobicContact CE2-CB 3.26Å; Y147-L152 HydrophobicContact CE2-CD1 3.62Å; Y147-L152 HydrophobicContact CE2-CG 4.06Å; Y147-L152 HydrophobicContact CG-CB 4.28Å; Y147-L152 HydrophobicContact CG-CD1 4.2Å; Y147-L152 VanDerWaalsContact CZ-CB 3.42Å; Y147-L152 PolarHBondContact O-N 3.15Å; Y147-L152 PolarHBondContact OH-O 3.3Å; Y147-K171 HydrophobicContact CD2-CB 4.38Å; Y147-K171 HydrophobicContact CD2-CG 3.58Å; Y147-K171 HydrophobicContact CE1-CG 4.37Å; Y147-K171 HydrophobicContact CE2-CB 4.2Å; Y147-K171 HydrophobicContact CE2-CD 4.29Å; Y147-K171 HydrophobicContact CE2-CG 3.23Å; Y147-K171 HydrophobicContact CG-CG 4.27Å
148	D	71	Confident	65.3	Low	105 Å²	105	80.4 Å²	80.4	56%	0.561	38%	0.378	S	S	*	.	H	α-helix	trans	-68.7	-38.1	178.4	-64.7	-27.1	0	0	0	111.4	S144 I146 L150 R151	S144-D148 WeakPolarHBondContact O-CB 3.34Å; S144-D148 PolarHBondContact O-N 3Å; S144-D148 VanDerWaalsContact O-OD2 3.11Å; I146-D148 VanDerWaalsContact C-N 3.35Å; I146-D148 PolarHBondContact O-N 2.89Å; D148-L150 VanDerWaalsContact C-N 3.34Å; D148-L150 PolarHBondContact O-N 3.31Å; D148-R151 PolarHBondContact O-N 2.99Å
149	Q	71.1	Confident	62.8	Low	98 Å²	98	84.9 Å²	84.9	46%	0.458	40%	0.401	S	S	.	.	H	α-helix	trans	-61.8	-39.6	173.2	-79.2	-174.1	-23	0	0	112.8	F145 I146 R151	F145-Q149 VanDerWaalsContact CE1-CD 3.48Å; F145-Q149 HydrophobicContact CE1-CG 4.33Å; F145-Q149 HydrophobicContact CZ-CG 4.47Å; F145-Q149 WeakPolarHBondContact O-CG 3.4Å; F145-Q149 PolarHBondContact O-N 3.49Å; I146-Q149 PolarHBondContact O-N 3.41Å; Q149-R151 PolarHBondContact O-N 3.49Å
150	L	68.5	Low	60.4	Low	4 Å²	4	84.7 Å²	84.7	2%	0.021	41%	0.406	C	S	.	.	T	Hydrogen-bonded Turn	trans	-76.9	-7.2	178.8	-68.9	170	0	0	0	113.4	I112 C117 T118 I122 I146 Y147 D148 L152	I112-L150 HydrophobicContact CD1-CD1 3.66Å; I112-L150 HydrophobicContact CG2-CD2 4.4Å; C117-L150 HydrophobicContact CB-CD2 4.46Å; T118-L150 HydrophobicContact CG2-CD2 3.92Å; I122-L150 HydrophobicContact CD1-CD2 3.98Å; I122-L150 HydrophobicContact CD1-CG 4.46Å; I146-L150 HydrophobicContact CG2-CD1 3.82Å; I146-L150 HydrophobicContact CG2-CG 4.32Å; I146-L150 WeakPolarHBondContact O-CB 3.3Å; I146-L150 VanDerWaalsContact O-CG 3.28Å; I146-L150 WeakPolarHBondContact O-CG 3.33Å; I146-L150 PolarHBondContact O-N 2.95Å; Y147-L150 PolarHBondContact O-N 3.44Å; D148-L150 VanDerWaalsContact C-N 3.34Å; D148-L150 PolarHBondContact O-N 3.31Å; L150-L152 HydrophobicContact CB-CD1 4.04Å; L150-L152 HydrophobicContact CB-CG 3.86Å; L150-L152 HydrophobicContact CD1-CD1 3.99Å; L150-L152 PolarHBondContact O-N 2.97Å
151	R	65.2	Low	58.1	Low	212 Å²	212	91.2 Å²	91.2	80%	0.8	45%	0.449	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.3	35.4	-175.6	-59.2	-178.4	175	-177.4	-1.1	113.5	V87 Y147 D148 Q149 S153	V87-R151 HydrophobicContact CG2-CB 4.45Å; V87-R151 WeakPolarHBondContact CG2-O 3.48Å; Y147-R151 PolarHBondContact O-N 3.34Å; D148-R151 PolarHBondContact O-N 2.99Å; Q149-R151 PolarHBondContact O-N 3.49Å; R151-S153 PolarHBondContact O-N 3.43Å
152	L	58.8	Low	55.9	Low	14 Å²	14	95.6 Å²	95.6	7%	0.073	46%	0.461	C	S	.	.			trans	-62.7	117.8	179.5	-73.3	164.5	0	0	0	110	V87 I142 Y147 L150	V87-L152 HydrophobicContact CB-CD2 4.4Å; V87-L152 HydrophobicContact CG1-CD2 3.73Å; V87-L152 HydrophobicContact CG1-CG 4.4Å; I142-L152 HydrophobicContact CD1-CD1 4.39Å; Y147-L152 HydrophobicContact CD1-CB 4.41Å; Y147-L152 HydrophobicContact CD2-CB 3.73Å; Y147-L152 HydrophobicContact CD2-CD1 3.38Å; Y147-L152 HydrophobicContact CD2-CG 4.18Å; Y147-L152 HydrophobicContact CE1-CB 4.01Å; Y147-L152 VanDerWaalsContact CE1-O 3.26Å; Y147-L152 WeakPolarHBondContact CE1-O 3.44Å; Y147-L152 HydrophobicContact CE2-CB 3.26Å; Y147-L152 HydrophobicContact CE2-CD1 3.62Å; Y147-L152 HydrophobicContact CE2-CG 4.06Å; Y147-L152 HydrophobicContact CG-CB 4.28Å; Y147-L152 HydrophobicContact CG-CD1 4.2Å; Y147-L152 VanDerWaalsContact CZ-CB 3.42Å; Y147-L152 PolarHBondContact O-N 3.15Å; Y147-L152 PolarHBondContact OH-O 3.3Å; L150-L152 HydrophobicContact CB-CD1 4.04Å; L150-L152 HydrophobicContact CB-CG 3.86Å; L150-L152 HydrophobicContact CD1-CD1 3.99Å; L150-L152 PolarHBondContact O-N 2.97Å
153	S	51.6	Low	53.8	Low	44 Å²	44	101.7 Å²	101.7	31%	0.308	49%	0.494	S	S	.	.			trans	-76.8	133.5	-177	61.6	0	0	0	0	111.8	R151 A155	R151-S153 PolarHBondContact O-N 3.43Å; S153-A155 VanDerWaalsContact C-N 3.33Å; S153-A155 PolarHBondContact O-N 3.29Å
154	E	44	Very low	51.6	Low	120 Å²	120	109.6 Å²	109.6	56%	0.561	52%	0.52	S	S	*	.			trans	-75.2	79.4	170	-73.4	-173	174.6	0	0	110.9	Y156 K171	E154-Y156 PolarHBondContact O-N 3.02Å; E154-K171 WeakPolarHBondContact OE1-CE 3.44Å; E154-K171 IonicContact OE1-NZ 2.76Å; E154-K171 PolarHBondContact OE1-NZ 3.12Å
155	A	42.2	Very low	49.7	Very low	27 Å²	27	111.5 Å²	111.5	22%	0.223	53%	0.529	C	S	.	.			trans	-87.9	98.7	173.8	0	0	0	0	0	110.6	K86 S153 E157	K86-A155 HydrophobicContact CD-CB 4.38Å; S153-A155 VanDerWaalsContact C-N 3.33Å; S153-A155 PolarHBondContact O-N 3.29Å; A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.34Å; A155-E157 VanDerWaalsContact O-N 3.17Å
156	Y	33	Very low	47.6	Very low	203 Å²	203	109.5 Å²	109.5	80%	0.796	53%	0.532	S	S	*	.			trans	-75	87.8	155.6	-89.7	-90.4	0	0	0	107.9	E154 K158	E154-Y156 PolarHBondContact O-N 3.02Å; Y156-K158 PolarHBondContact O-N 3.25Å
157	E	34.2	Very low	45.8	Very low	85 Å²	85	113.6 Å²	113.6	40%	0.397	56%	0.558	S	S	.	*			trans	-73.5	98.5	167.1	-104.5	166.3	-158.3	0	0	109.1	K86 A155 I159	K86-E157 IonicContact NZ-OE1 2.63Å; K86-E157 PolarHBondContact NZ-OE1 3.14Å; A155-E157 VanDerWaalsContact C-N 3.3Å; A155-E157 PolarHBondContact O-N 3.34Å; A155-E157 VanDerWaalsContact O-N 3.17Å; E157-I159 HydrophobicContact CB-CD1 3.88Å; E157-I159 HydrophobicContact CB-CG1 3.83Å; E157-I159 HydrophobicContact CG-CD1 3.78Å; E157-I159 HydrophobicContact CG-CG1 3.86Å; E157-I159 PolarHBondContact O-N 3.44Å; E157-I159 WeakPolarHBondContact OE2-CD1 3.44Å
158	K	33.1	Very low	44.3	Very low	209 Å²	209	116.5 Å²	116.5	91%	0.909	58%	0.579	S	S	*	*			trans	-65.2	61.5	153.1	-79.6	-179.6	173.2	176.5	0	108.2	Y156	Y156-K158 PolarHBondContact O-N 3.25Å
159	I	35.7	Very low	43.2	Very low	123 Å²	123	112.8 Å²	112.8	63%	0.631	56%	0.562	S	S	*	*			trans	-78.5	132.1	165.8	-68.3	171.3	0	0	0	106.3	E157	E157-I159 HydrophobicContact CB-CD1 3.88Å; E157-I159 HydrophobicContact CB-CG1 3.83Å; E157-I159 HydrophobicContact CG-CD1 3.78Å; E157-I159 HydrophobicContact CG-CG1 3.86Å; E157-I159 PolarHBondContact O-N 3.44Å; E157-I159 WeakPolarHBondContact OE2-CD1 3.44Å
160	E	35.5	Very low	42.2	Very low	146 Å²	146	110.4 Å²	110.4	68%	0.682	55%	0.551	S	S	*	*			trans	-40.1	149.3	-177.8	-65	-176.6	151.9	0	0	113.3	K162	E160-K162 PolarHBondContact O-N 3.05Å
161	P	35.7	Very low	42.2	Very low	137 Å²	137	114 Å²	114	89%	0.89	57%	0.567	S	S	*	*	S	Bend	trans	-68.3	22.1	-168.7	27.4	-34.7	0	0	0	115.7	N163	P161-N163 PolarHBondContact O-N 2.98Å
162	K	37.5	Very low	42.6	Very low	173 Å²	173	104.7 Å²	104.7	75%	0.752	53%	0.534	S	S	*	.	S	Bend	trans	-97.8	85.7	179.5	-69.5	-176.5	-179.7	173.8	0	110	E160	E160-K162 PolarHBondContact O-N 3.05Å
163	N	35.7	Very low	43.5	Very low	138 Å²	138	104.6 Å²	104.6	74%	0.738	53%	0.534	S	S	*	.	S	Bend	trans	67.8	127.9	167.7	-59.7	-25.5	0	0	0	114.7	P161	P161-N163 PolarHBondContact O-N 2.98Å
164	Y	31	Very low	45	Very low	224 Å²	224	105.9 Å²	105.9	88%	0.878	54%	0.538	S	S	*	.	S	Bend	trans	95.3	119.7	173.6	-56.5	-78.5	0	0	0	116.7	S166	Y164-S166 PolarHBondContact O-N 2.92Å
165	T	35.4	Very low	47	Very low	114 Å²	114	100.2 Å²	100.2	70%	0.699	51%	0.511	S	S	*	.			trans	-52.4	122.1	174.5	45.7	0	0	0	0	111.7	V167	T165-V167 PolarHBondContact O-N 3.43Å
166	S	34.6	Very low	49.2	Very low	94 Å²	94	99.5 Å²	99.5	66%	0.657	50%	0.504	S	S	*	.			trans	-12.6	112.7	159.7	56.3	0	0	0	0	113.9	Y164 S168	Y164-S166 PolarHBondContact O-N 2.92Å; S166-S168 PolarHBondContact O-N 3.18Å
167	V	37.1	Very low	52	Low	106 Å²	106	89.9 Å²	89.9	64%	0.642	47%	0.466	S	S	*	.			trans	-73.6	72.1	163.9	-172.2	0	0	0	0	106.4	T165 S169	T165-V167 PolarHBondContact O-N 3.43Å; V167-S169 PolarHBondContact O-N 3.32Å
168	S	40.5	Very low	54.5	Low	70 Å²	70	87.7 Å²	87.7	49%	0.49	46%	0.456	S	S	.	.			trans	-60.5	117.5	171.8	69.6	0	0	0	0	106.2	S166 M170	S166-S168 PolarHBondContact O-N 3.18Å; S168-M170 PolarHBondContact O-N 3.44Å
169	S	46.8	Very low	57	Low	27 Å²	27	78.6 Å²	78.6	19%	0.189	42%	0.416	C	S	.	.			trans	-17.8	109.1	165.9	56.3	0	0	0	0	111.6	V167 K171	V167-S169 PolarHBondContact O-N 3.32Å; S169-K171 PolarHBondContact O-N 2.84Å
170	M	50.6	Low	59	Low	48 Å²	48	76.4 Å²	76.4	24%	0.236	41%	0.412	C	S	.	.			trans	-71.8	72.3	-171.4	-85.2	179.3	141.2	0	0	110.3	A89 K91 S168 S172	A89-M170 HydrophobicContact CB-CB 4.38Å; A89-M170 HydrophobicContact CB-SD 4.48Å; K91-M170 HydrophobicContact CB-CE 4.44Å; K91-M170 HydrophobicContact CG-CE 4.46Å; S168-M170 PolarHBondContact O-N 3.44Å; M170-S172 PolarHBondContact O-N 2.74Å
171	K	67.4	Low	60.6	Low	80 Å²	80	74 Å²	74	35%	0.348	40%	0.403	S	S	.	.	S	Bend	trans	-62	-9	155.4	-76.5	-175.1	-177.8	-177.5	0	111	T141 I142 Y147 E154 S169	T141-K171 CarbonylContact C-O 3.51Å; T141-K171 WeakPolarHBondContact CA-O 3.3Å; T141-K171 WeakPolarHBondContact CG2-O 3.32Å; I142-K171 PolarHBondContact N-O 3.38Å; Y147-K171 HydrophobicContact CD2-CB 4.38Å; Y147-K171 HydrophobicContact CD2-CG 3.58Å; Y147-K171 HydrophobicContact CE1-CG 4.37Å; Y147-K171 HydrophobicContact CE2-CB 4.2Å; Y147-K171 HydrophobicContact CE2-CD 4.29Å; Y147-K171 HydrophobicContact CE2-CG 3.23Å; Y147-K171 HydrophobicContact CG-CG 4.27Å; E154-K171 WeakPolarHBondContact OE1-CE 3.44Å; E154-K171 IonicContact OE1-NZ 2.76Å; E154-K171 PolarHBondContact OE1-NZ 3.12Å; S169-K171 PolarHBondContact O-N 2.84Å
172	S	74.5	Confident	61.9	Low	16 Å²	16	69.4 Å²	69.4	11%	0.112	37%	0.373	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-144.5	144.8	-178.5	65.5	0	0	0	0	114.2	R139 Y140 M170	R139-S172 WeakPolarHBondContact CD-OG 3.37Å; Y140-S172 CarbonylContact O-C 3.48Å; Y140-S172 WeakPolarHBondContact O-CA 3.5Å; Y140-S172 VanDerWaalsContact O-CB 3.24Å; Y140-S172 WeakPolarHBondContact O-CB 3.29Å; M170-S172 PolarHBondContact O-N 2.74Å
173	V	78	Confident	63.1	Low	12 Å²	12	68.5 Å²	68.5	7%	0.073	38%	0.377	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-99.7	122.1	171	-179.7	0	0	0	0	108.2	V78 L110 R139 Y140	V78-V173 HydrophobicContact CG2-CG2 4.21Å; L110-V173 HydrophobicContact CD1-CB 4.38Å; L110-V173 HydrophobicContact CD1-CG2 3.72Å; L110-V173 HydrophobicContact CD2-CB 4.22Å; L110-V173 HydrophobicContact CD2-CG1 4.48Å; L110-V173 HydrophobicContact CD2-CG2 4.19Å; R139-V173 WeakPolarHBondContact CA-O 3.46Å; Y140-V173 PolarHBondContact N-O 3.35Å; Y140-V173 PolarHBondContact O-N 3.41Å
174	N	82.6	Confident	64.2	Low	72 Å²	72	64.5 Å²	64.5	39%	0.385	36%	0.355	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.5	136.4	173.5	-58.3	-58.7	0	0	0	109.3	L138 R139	L138-N174 WeakPolarHBondContact O-CA 3.27Å; R139-N174 WeakPolarHBondContact CG-OD1 3.25Å; R139-N174 PolarHBondContact NE-OD1 3.18Å
175	F	86	Confident	65.5	Low	0 Å²	0	61.8 Å²	61.8	0%	0	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-149.4	164.3	179.1	62.3	-77.9	0	0	0	109.1	I76 L95 I97 V108 Y129 L138 I177	I76-F175 HydrophobicContact CD1-CB 4.14Å; I76-F175 HydrophobicContact CD1-CD1 3.82Å; I76-F175 HydrophobicContact CD1-CD2 3.95Å; I76-F175 HydrophobicContact CD1-CE1 4.22Å; I76-F175 HydrophobicContact CD1-CE2 4.3Å; I76-F175 HydrophobicContact CD1-CG 3.69Å; I76-F175 HydrophobicContact CD1-CZ 4.45Å; L95-F175 HydrophobicContact CB-CB 4.02Å; I97-F175 HydrophobicContact CD1-CD2 4.3Å; V108-F175 HydrophobicContact CB-CZ 4.27Å; V108-F175 HydrophobicContact CG1-CE1 4.4Å; V108-F175 HydrophobicContact CG1-CE2 4.26Å; V108-F175 HydrophobicContact CG1-CZ 3.89Å; V108-F175 HydrophobicContact CG2-CE2 3.98Å; V108-F175 HydrophobicContact CG2-CZ 3.9Å; Y129-F175 HydrophobicContact CD2-CZ 4.39Å; Y129-F175 HydrophobicContact CE2-CZ 4.12Å; L138-F175 HydrophobicContact CB-CD1 4.38Å; L138-F175 HydrophobicContact CB-CD2 4.27Å; L138-F175 HydrophobicContact CB-CE1 3.85Å; L138-F175 HydrophobicContact CB-CE2 3.75Å; L138-F175 HydrophobicContact CB-CZ 3.5Å; L138-F175 VanDerWaalsContact CB-CZ 3.5Å; L138-F175 HydrophobicContact CD1-CE2 3.78Å; L138-F175 HydrophobicContact CD1-CZ 3.99Å; L138-F175 HydrophobicContact CG-CE2 4.37Å; L138-F175 HydrophobicContact CG-CZ 4.41Å; L138-F175 PolarHBondContact N-O 3.48Å; L138-F175 PolarHBondContact O-N 2.81Å; L138-F175 VanDerWaalsContact O-O 3.04Å; F175-I177 HydrophobicContact CD2-CG1 4.02Å; F175-I177 HydrophobicContact CE2-CD1 3.87Å; F175-I177 HydrophobicContact CE2-CG1 3.76Å
176	N	89.4	Confident	66.8	Low	13 Å²	13	58.5 Å²	58.5	7%	0.07	33%	0.332	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.1	131.8	176.5	-63.6	-20.9	0	0	0	109.7	L94 L95 N96 I97 V135 N136	L94-N176 WeakPolarHBondContact CD2-ND2 3.38Å; L95-N176 PolarHBondContact O-N 2.93Å; N96-N176 VanDerWaalsContact OD1-CB 3.32Å; N96-N176 WeakPolarHBondContact OD1-CB 3.46Å; N96-N176 PolarHBondContact OD1-ND2 3.26Å; I97-N176 PolarHBondContact N-O 2.79Å; V135-N176 HydrophobicContact CG1-CB 3.96Å; N136-N176 CarbonylContact O-C 3.55Å; N136-N176 VanDerWaalsContact O-CA 3.24Å; N136-N176 WeakPolarHBondContact O-CA 3.38Å
177	I	90.1	Very high	68.6	Low	0 Å²	0	58.4 Å²	58.4	0%	0	32%	0.324	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.3	124.4	164.2	-64.5	-178	0	0	0	108.3	I74 I97 V99 A106 V108 V131 N136 L138 F175	I74-I177 HydrophobicContact CD1-CD1 3.53Å; I74-I177 HydrophobicContact CD1-CG1 4.05Å; I97-I177 CarbonylContact O-C 3.47Å; I97-I177 WeakPolarHBondContact O-CA 3.38Å; V99-I177 HydrophobicContact CB-CG2 4.2Å; V99-I177 HydrophobicContact CG1-CG2 3.6Å; V99-I177 HydrophobicContact CG2-CG2 3.53Å; A106-I177 HydrophobicContact CB-CD1 3.44Å; A106-I177 VanDerWaalsContact CB-CD1 3.44Å; V108-I177 HydrophobicContact CG2-CD1 4.31Å; V131-I177 HydrophobicContact CB-CG2 4.47Å; V131-I177 HydrophobicContact CG1-CB 4.4Å; V131-I177 HydrophobicContact CG1-CG2 3.52Å; V131-I177 HydrophobicContact CG2-CD1 4.1Å; V131-I177 HydrophobicContact CG2-CG2 4.05Å; N136-I177 HydrophobicContact CB-CB 4.4Å; N136-I177 WeakPolarHBondContact CB-O 3.16Å; N136-I177 PolarHBondContact N-O 3.08Å; N136-I177 PolarHBondContact ND2-O 3.44Å; N136-I177 VanDerWaalsContact ND2-O 3.07Å; N136-I177 PolarHBondContact O-N 3.49Å; L138-I177 HydrophobicContact CD1-CB 4.26Å; L138-I177 HydrophobicContact CD1-CD1 3.54Å; L138-I177 HydrophobicContact CD1-CG1 3.85Å; F175-I177 HydrophobicContact CD2-CG1 4.02Å; F175-I177 HydrophobicContact CE2-CD1 3.87Å; F175-I177 HydrophobicContact CE2-CG1 3.76Å
178	I	87.5	Confident	70.4	Confident	40 Å²	40	57 Å²	57	21%	0.205	31%	0.31	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.4	115.1	179.6	-52.8	-177.6	0	0	0	108.4	N96 I97 S98 V99 G134 V135	N96-I178 HydrophobicContact CB-CD1 3.82Å; I97-I178 PolarHBondContact O-N 3.43Å; S98-I178 WeakPolarHBondContact CA-O 3.43Å; V99-I178 WeakPolarHBondContact CG2-O 3Å; V99-I178 PolarHBondContact N-O 2.79Å; G134-I178 WeakPolarHBondContact O-CA 3.49Å; V135-I178 HydrophobicContact CG1-CG1 4.46Å; V135-I178 HydrophobicContact CG2-CD1 4.33Å; V135-I178 HydrophobicContact CG2-CG1 4.19Å
179	R	84.9	Confident	72	Confident	18 Å²	18	60.8 Å²	60.8	7%	0.068	31%	0.314	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.7	109	170.3	-172.5	174.2	84.7	113.9	-10.1	108.9	V99 D101 T103 V131 G132 L133 G134	V99-R179 HydrophobicContact CG2-CB 3.81Å; V99-R179 HydrophobicContact CG2-CG 4.21Å; D101-R179 PolarHBondContact O-NH1 3.24Å; T103-R179 WeakPolarHBondContact O-CD 3.34Å; V131-R179 HydrophobicContact CG1-CB 3.9Å; G132-R179 WeakPolarHBondContact O-CB 3.33Å; L133-R179 HydrophobicContact CD2-CG 4.22Å; L133-R179 VanDerWaalsContact CD2-CZ 3.46Å; G134-R179 PolarHBondContact N-O 3.25Å; G134-R179 PolarHBondContact O-N 2.69Å
180	S	77.8	Confident	73.5	Confident	76 Å²	76	64.3 Å²	64.3	53%	0.531	33%	0.33	S	S	.	.	P	Polyproline II helix	trans	-96.5	142.1	173.9	47.9	0	0	0	0	110.2	D101	D101-S180 WeakPolarHBondContact CB-O 3.38Å
181	L	69.1	Low	75.1	Confident	97 Å²	97	62 Å²	62	51%	0.508	32%	0.319	S	S	.	.	P	Polyproline II helix	trans	-63.4	149.7	162.3	-73	174	0	0	0	109.3	L133 N183	L133-L181 HydrophobicContact CD1-CD1 3.88Å; L133-L181 HydrophobicContact CD1-CD2 4Å; L133-L181 HydrophobicContact CD1-CG 3.83Å; L133-L181 HydrophobicContact CD2-CD2 3.75Å; L133-L181 HydrophobicContact CD2-CG 3.72Å; L133-L181 HydrophobicContact CG-CG 4.45Å; L181-N183 PolarHBondContact O-N 3.43Å
182	P	64	Low	76	Confident	40 Å²	40	61.1 Å²	61.1	26%	0.26	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-60.2	138.4	173.9	25	-31.3	0	0	0	109.3	D101 I184 N284	D101-P182 WeakPolarHBondContact OD2-CD 3.27Å; D101-P182 WeakPolarHBondContact OD2-CG 3.38Å; P182-I184 PolarHBondContact O-N 2.93Å; P182-N284 WeakPolarHBondContact CG-OD1 3.39Å
183	N	62.6	Low	76.6	Confident	154 Å²	154	60.3 Å²	60.3	82%	0.824	31%	0.31	S	S	*	.			trans	-65.1	111.1	171	-83.2	-28	0	0	0	108.5	L181 L185	L181-N183 PolarHBondContact O-N 3.43Å; N183-L185 VanDerWaalsContact C-N 3.28Å; N183-L185 PolarHBondContact O-N 3.23Å
184	I	59.6	Low	77	Confident	54 Å²	54	59.8 Å²	59.8	28%	0.277	31%	0.306	S	S	.	.			trans	-83	80.2	176.9	-50.9	174.9	0	0	0	108.1	P182 I186 C285 D286	P182-I184 PolarHBondContact O-N 2.93Å; I184-I186 HydrophobicContact CG2-CB 3.98Å; I184-I186 HydrophobicContact CG2-CD1 3.92Å; I184-I186 HydrophobicContact CG2-CG1 3.79Å; I184-I186 PolarHBondContact O-N 2.01Å; I184-C285 WeakPolarHBondContact CD1-O 3.41Å; I184-D286 HydrophobicContact CD1-CB 3.73Å; I184-D286 HydrophobicContact CG2-CB 4.27Å
185	L	56.3	Low	77	Confident	167 Å²	167	56.3 Å²	56.3	87%	0.874	29%	0.288	S	S	*	.			trans	-87.9	68.8	160.9	-91	153.4	0	0	0	107.8	N183	N183-L185 VanDerWaalsContact C-N 3.28Å; N183-L185 PolarHBondContact O-N 3.23Å
186	I	63.3	Low	76.7	Confident	45 Å²	45	57.1 Å²	57.1	23%	0.231	29%	0.292	C	S	.	.			trans	-117.6	127.4	174.1	-53.3	177.6	0	0	0	107.4	I184 K188 L190 L191 K274 N284	I184-I186 HydrophobicContact CG2-CB 3.98Å; I184-I186 HydrophobicContact CG2-CD1 3.92Å; I184-I186 HydrophobicContact CG2-CG1 3.79Å; I184-I186 PolarHBondContact O-N 2.01Å; I186-K188 PolarHBondContact O-N 3.08Å; I186-K188 VanDerWaalsContact O-N 3.13Å; I186-L190 HydrophobicContact CG2-CB 4.32Å; I186-L191 HydrophobicContact CB-CD1 4.47Å; I186-L191 HydrophobicContact CB-CD2 3.94Å; I186-L191 HydrophobicContact CB-CG 4.31Å; I186-L191 HydrophobicContact CD1-CD2 3.95Å; I186-L191 HydrophobicContact CG2-CD2 3.55Å; I186-L191 HydrophobicContact CG2-CG 3.87Å; I186-K274 HydrophobicContact CD1-CB 4.18Å; I186-K274 HydrophobicContact CD1-CD 4.46Å; I186-N284 HydrophobicContact CD1-CB 4.29Å
187	D	73.3	Confident	75.9	Confident	92 Å²	92	56.6 Å²	56.6	49%	0.492	29%	0.289	S	S	.	.			trans	-52.8	119.7	168.1	-178.5	-4	0	0	0	109.1	Y189 L190	D187-Y189 PolarHBondContact O-N 2.89Å; D187-Y189 WeakPolarHBondContact OD1-CD2 3.07Å; D187-Y189 PolarHBondContact OD1-N 3.26Å; D187-L190 HydrophobicContact CB-CD1 4.1Å; D187-L190 HydrophobicContact CB-CG 4.13Å; D187-L190 WeakPolarHBondContact O-CB 3.42Å; D187-L190 PolarHBondContact O-N 2.98Å
188	K	73.4	Confident	74.7	Confident	76 Å²	76	57.4 Å²	57.4	33%	0.33	29%	0.293	S	S	.	.	G	3₁₀ helix	trans	-56	-24.9	-178.9	-68.3	-176.5	171.8	-170.6	0	112.5	I186 L190 L191 S237 N289	I186-K188 PolarHBondContact O-N 3.08Å; I186-K188 VanDerWaalsContact O-N 3.13Å; K188-L190 PolarHBondContact O-N 3.49Å; K188-L191 PolarHBondContact O-N 3.15Å; K188-S237 VanDerWaalsContact CB-OG 3.29Å; K188-S237 WeakPolarHBondContact CB-OG 3.3Å; K188-N289 VanDerWaalsContact NZ-CG 3.34Å; K188-N289 PolarHBondContact NZ-ND2 3.07Å; K188-N289 PolarHBondContact NZ-OD1 3.47Å
189	Y	74.4	Confident	73.6	Confident	149 Å²	149	57.7 Å²	57.7	58%	0.584	30%	0.295	S	S	*	.	G	3₁₀ helix	trans	-66.5	-24.6	174.7	-64.9	-72	0	0	0	113.1	D187 G234 G235	D187-Y189 PolarHBondContact O-N 2.89Å; D187-Y189 WeakPolarHBondContact OD1-CD2 3.07Å; D187-Y189 PolarHBondContact OD1-N 3.26Å; Y189-G234 CarbonylContact O-C 3.55Å; Y189-G234 WeakPolarHBondContact O-CA 3.34Å; Y189-G235 PolarHBondContact O-N 2.89Å
190	L	78.9	Confident	72.6	Confident	101 Å²	101	56.9 Å²	56.9	53%	0.529	29%	0.292	S	S	.	.	G	3₁₀ helix	trans	-92.6	-5.5	179.5	-56.7	179.2	0	0	0	113.4	I186 D187 K188	I186-L190 HydrophobicContact CG2-CB 4.32Å; D187-L190 HydrophobicContact CB-CD1 4.1Å; D187-L190 HydrophobicContact CB-CG 4.13Å; D187-L190 WeakPolarHBondContact O-CB 3.42Å; D187-L190 PolarHBondContact O-N 2.98Å; K188-L190 PolarHBondContact O-N 3.49Å
191	L	85.1	Confident	71.9	Confident	1 Å²	1	53.2 Å²	53.2	1%	0.005	27%	0.266	C	S	.	.			trans	-83.3	134.1	179	-65.1	174.4	0	0	0	110.5	I186 K188 G234 G235 W236 P272 K274	I186-L191 HydrophobicContact CB-CD1 4.47Å; I186-L191 HydrophobicContact CB-CD2 3.94Å; I186-L191 HydrophobicContact CB-CG 4.31Å; I186-L191 HydrophobicContact CD1-CD2 3.95Å; I186-L191 HydrophobicContact CG2-CD2 3.55Å; I186-L191 HydrophobicContact CG2-CG 3.87Å; K188-L191 PolarHBondContact O-N 3.15Å; L191-G234 CarbonylContact O-C 3.53Å; L191-G234 WeakPolarHBondContact O-CA 3.33Å; L191-G235 PolarHBondContact O-N 3.49Å; L191-W236 HydrophobicContact CB-CB 4.07Å; L191-W236 PolarHBondContact O-N 3.08Å; L191-P272 HydrophobicContact CB-CB 3.94Å; L191-P272 HydrophobicContact CD1-CB 3.79Å; L191-P272 HydrophobicContact CG-CB 4.45Å; L191-K274 HydrophobicContact CD2-CB 4.48Å
192	K	86.2	Confident	71.6	Confident	60 Å²	60	49.8 Å²	49.8	26%	0.261	25%	0.248	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-73.7	154	172.6	-62.9	-178.1	180	179.8	0	109.8	P272 C273	K192-P272 WeakPolarHBondContact O-CA 3.25Å; K192-C273 WeakPolarHBondContact CB-O 3.46Å; K192-C273 PolarHBondContact N-O 3.25Å; K192-C273 PolarHBondContact O-N 3.48Å
193	V	86.7	Confident	71.5	Confident	0 Å²	0	50.7 Å²	50.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	110.1	173.3	-170.7	0	0	0	0	108	V215 W230 W236 F239 F270	V193-V215 HydrophobicContact CB-CB 4.49Å; V193-V215 HydrophobicContact CB-CG2 4.33Å; V193-V215 HydrophobicContact CG1-CB 4.31Å; V193-V215 HydrophobicContact CG1-CG2 3.75Å; V193-V215 WeakPolarHBondContact O-CG2 3.39Å; V193-V215 PolarHBondContact O-N 3.46Å; V193-V215 VanDerWaalsContact O-N 3.13Å; V193-W230 HydrophobicContact CB-CH2 4.47Å; V193-W230 HydrophobicContact CB-CZ2 3.75Å; V193-W230 HydrophobicContact CG1-CZ2 4.49Å; V193-W230 HydrophobicContact CG2-CH2 4.39Å; V193-W230 HydrophobicContact CG2-CZ2 3.6Å; V193-W236 HydrophobicContact CG1-CE3 4.22Å; V193-W236 HydrophobicContact CG1-CZ3 4.18Å; V193-W236 HydrophobicContact CG2-CE3 4.33Å; V193-F239 HydrophobicContact CB-CD1 4.42Å; V193-F239 HydrophobicContact CB-CG 4.26Å; V193-F239 HydrophobicContact CG1-CB 4.33Å; V193-F239 HydrophobicContact CG1-CD1 3.42Å; V193-F239 VanDerWaalsContact CG1-CD1 3.42Å; V193-F239 HydrophobicContact CG1-CD2 3.93Å; V193-F239 HydrophobicContact CG1-CE1 3.58Å; V193-F239 HydrophobicContact CG1-CE2 4.07Å; V193-F239 HydrophobicContact CG1-CG 3.6Å; V193-F239 HydrophobicContact CG1-CZ 3.9Å; V193-F239 HydrophobicContact CG2-CB 3.44Å; V193-F239 VanDerWaalsContact CG2-CB 3.44Å; V193-F239 HydrophobicContact CG2-CD1 4.08Å; V193-F239 HydrophobicContact CG2-CD2 4.29Å; V193-F239 HydrophobicContact CG2-CG 3.67Å; V193-F270 HydrophobicContact CG1-CD1 4.39Å
194	C	85.2	Confident	71.6	Confident	0 Å²	0	45.9 Å²	45.9	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	151.2	175.1	-46.8	0	0	0	0	110.3	L212 Q213 F270 I271 C273 C276	C194-L212 HydrophobicContact CB-CD1 3.44Å; C194-L212 VanDerWaalsContact CB-CD1 3.44Å; C194-L212 HydrophobicContact CB-CD2 4.34Å; C194-L212 HydrophobicContact CB-CG 3.79Å; C194-Q213 CarbonylContact C-O 3.4Å; C194-Q213 WeakPolarHBondContact CA-O 3.4Å; C194-Q213 WeakPolarHBondContact CB-O 3.3Å; C194-F270 CarbonylContact O-C 3.42Å; C194-F270 VanDerWaalsContact O-CA 3.25Å; C194-F270 WeakPolarHBondContact O-CA 3.37Å; C194-I271 WeakPolarHBondContact CB-O 3.37Å; C194-I271 PolarHBondContact N-O 2.84Å; C194-I271 PolarHBondContact O-N 3.29Å; C194-C273 WeakPolarHBondContact SG-CB 3.47Å; C194-C276 WeakPolarHBondContact CA-SG 3.01Å; C194-C276 HydrophobicContact CB-CB 3.78Å; C194-C276 WeakPolarHBondContact CB-SG 3.36Å; C194-C276 WeakPolarHBondContact SG-CA 3.27Å; C194-C276 WeakPolarHBondContact SG-CB 3.42Å; C194-C276 CovalentContact SG-SG 2.02Å; C194-C276 PolarHBondContact SG-SG 3.32Å
195	I	82.6	Confident	71.9	Confident	0 Å²	0	45.7 Å²	45.7	0%	0	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116	129.8	170.5	-178.6	172.7	0	0	0	108.6	L212 Q213 V215 L218 F219 I264 A268 W269 F270	I195-L212 WeakPolarHBondContact O-CA 3.48Å; I195-Q213 HydrophobicContact CG2-CB 4.14Å; I195-Q213 PolarHBondContact N-O 2.74Å; I195-Q213 PolarHBondContact O-N 2.83Å; I195-V215 HydrophobicContact CB-CG2 3.74Å; I195-V215 HydrophobicContact CG2-CG2 3.8Å; I195-L218 HydrophobicContact CG2-CD1 3.48Å; I195-L218 VanDerWaalsContact CG2-CD1 3.48Å; I195-F219 HydrophobicContact CD1-CE2 4.41Å; I195-I264 HydrophobicContact CD1-CD1 3.66Å; I195-A268 HydrophobicContact CD1-CB 3.69Å; I195-A268 HydrophobicContact CG1-CB 3.8Å; I195-W269 CarbonylContact C-O 3.58Å; I195-W269 VanDerWaalsContact CA-O 3.27Å; I195-W269 WeakPolarHBondContact CA-O 3.33Å; I195-F270 HydrophobicContact CB-CD1 4.04Å; I195-F270 HydrophobicContact CB-CE1 4.12Å; I195-F270 HydrophobicContact CD1-CE1 3.97Å; I195-F270 HydrophobicContact CD1-CZ 4.49Å; I195-F270 HydrophobicContact CG1-CD1 4.32Å; I195-F270 HydrophobicContact CG1-CE1 4.19Å
196	M	79.6	Confident	72.4	Confident	17 Å²	17	46.7 Å²	46.7	8%	0.084	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-102.4	106.5	176.3	173.8	71.2	79.3	0	0	109.3	Q198 G211 L212 W269 I271 W287 T452	M196-Q198 HydrophobicContact CG-CG 3.55Å; M196-Q198 PolarHBondContact O-N 3.42Å; M196-Q198 VanDerWaalsContact O-N 3.14Å; M196-Q198 HydrophobicContact SD-CG 4.49Å; M196-G211 WeakPolarHBondContact CA-O 3.46Å; M196-G211 VanDerWaalsContact SD-CA 3.53Å; M196-L212 HydrophobicContact CB-CD1 4.2Å; M196-L212 HydrophobicContact CE-CB 3.97Å; M196-L212 HydrophobicContact CE-CD1 4.11Å; M196-L212 HydrophobicContact SD-CB 4.47Å; M196-W269 HydrophobicContact CB-CB 4.12Å; M196-W269 PolarHBondContact N-O 3.04Å; M196-I271 HydrophobicContact CB-CD1 3.35Å; M196-I271 HydrophobicContact CG-CD1 4.27Å; M196-W287 HydrophobicContact CE-CH2 3.91Å; M196-W287 HydrophobicContact CE-CZ2 4.04Å; M196-W287 HydrophobicContact CG-CH2 4.39Å; M196-T452 HydrophobicContact SD-CG2 3.89Å
197	E	73.7	Confident	72.5	Confident	1 Å²	1	48.6 Å²	48.6	1%	0.005	23%	0.229	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.5	82.9	176.7	-67.8	-71.2	-174.8	0	0	109.3	N199 C200 G211 H266	E197-N199 PolarHBondContact O-N 3.4Å; E197-C200 PolarHBondContact O-SG 3Å; E197-G211 PolarHBondContact N-O 3.17Å; E197-G211 PolarHBondContact O-N 3.2Å; E197-H266 VanDerWaalsContact CD-NE2 3.25Å; E197-H266 IonicContact OE1-CD2 2.65Å; E197-H266 IonicContact OE1-CE1 3.06Å; E197-H266 PolarHBondContact OE1-CE1 3.41Å; E197-H266 IonicContact OE1-NE2 2.69Å; E197-H266 PolarHBondContact OE1-NE2 2.9Å; E197-H266 IonicContact OE2-CD2 3.51Å; E197-H266 PolarHBondContact OE2-CD2 2.93Å; E197-H266 IonicContact OE2-NE2 3.95Å; E197-H266 PolarHBondContact OE2-NE2 3.19Å
198	Q	65.6	Low	72	Confident	18 Å²	18	47 Å²	47	8%	0.084	22%	0.216	C	C	.	.			trans	-75	-7.1	179.1	-61.3	-170.7	-24.9	0	0	112.7	M196 C200 A448 H507	M196-Q198 HydrophobicContact CG-CG 3.55Å; M196-Q198 PolarHBondContact O-N 3.42Å; M196-Q198 VanDerWaalsContact O-N 3.14Å; M196-Q198 HydrophobicContact SD-CG 4.49Å; Q198-C200 PolarHBondContact O-N 2.87Å; Q198-C200 VanDerWaalsContact O-N 3.15Å; Q198-A448 WeakPolarHBondContact O-CB 3.35Å; Q198-H507 PolarHBondContact OE1-CE1 2.9Å; Q198-H507 VanDerWaalsContact OE1-CG 3.27Å; Q198-H507 PolarHBondContact OE1-ND1 3.14Å
199	N	63.4	Low	71.6	Confident	45 Å²	45	46.5 Å²	46.5	24%	0.241	22%	0.22	C	C	.	.			trans	-92.1	38.8	-172.9	-153.9	-6.5	0	0	0	114.5	E197 L201 H202 Q488	E197-N199 PolarHBondContact O-N 3.4Å; N199-L201 VanDerWaalsContact C-N 3.25Å; N199-L201 PolarHBondContact O-N 3.37Å; N199-L201 VanDerWaalsContact O-N 3.14Å; N199-H202 PolarHBondContact O-N 3.45Å; N199-H202 WeakPolarHBondContact OD1-CB 3.1Å; N199-H202 PolarHBondContact OD1-CD2 2.76Å; N199-Q488 PolarHBondContact OD1-OE1 2.82Å
200	C	64.8	Low	71.4	Confident	1 Å²	1	40 Å²	40	1%	0.007	20%	0.196	C	C	.	.	T	Hydrogen-bonded Turn	trans	-56.6	-34.6	-171.1	-64.3	0	0	0	0	115.2	E197 Q198 W203 C210 A448 R465	E197-C200 PolarHBondContact O-SG 3Å; Q198-C200 PolarHBondContact O-N 2.87Å; Q198-C200 VanDerWaalsContact O-N 3.15Å; C200-W203 VanDerWaalsContact O-O 3.06Å; C200-C210 WeakPolarHBondContact CA-SG 3.47Å; C200-C210 HydrophobicContact CB-CB 4.02Å; C200-C210 WeakPolarHBondContact CB-SG 3.35Å; C200-C210 WeakPolarHBondContact SG-CB 3.33Å; C200-C210 CovalentContact SG-SG 1.99Å; C200-C210 PolarHBondContact SG-SG 2.49Å; C200-A448 HydrophobicContact CB-CB 4.18Å; C200-R465 PolarHBondContact O-NE 3.32Å; C200-R465 PolarHBondContact O-NH2 2.82Å
201	L	63	Low	71.1	Confident	0 Å²	0	35.1 Å²	35.1	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	-87.5	-8.7	-174.4	-63.3	-169.8	0	0	0	113.6	N199 Y446 H451 R465 E468 H469	N199-L201 VanDerWaalsContact C-N 3.25Å; N199-L201 PolarHBondContact O-N 3.37Å; N199-L201 VanDerWaalsContact O-N 3.14Å; L201-Y446 WeakPolarHBondContact CB-O 3.46Å; L201-Y446 VanDerWaalsContact CD1-O 3.26Å; L201-Y446 WeakPolarHBondContact CD1-O 3.49Å; L201-H451 VanDerWaalsContact CD1-CD2 3.4Å; L201-H451 WeakPolarHBondContact CD1-CD2 3.35Å; L201-R465 HydrophobicContact CD2-CB 4.49Å; L201-R465 HydrophobicContact CD2-CG 3.91Å; L201-E468 HydrophobicContact CD1-CB 4.11Å; L201-E468 HydrophobicContact CD2-CB 3.96Å; L201-H469 VanDerWaalsContact O-CA 3.27Å; L201-H469 WeakPolarHBondContact O-CA 3.19Å; L201-H469 WeakPolarHBondContact O-CB 3.05Å; L201-H469 PolarHBondContact O-ND1 2.68Å
202	H	61.6	Low	70.8	Confident	25 Å²	25	35.4 Å²	35.4	12%	0.116	17%	0.172	C	C	.	.	T	Hydrogen-bonded Turn	trans	-102.5	-16.2	-178.9	-69.6	-95.2	0	0	0	114.2	N199 D445 H469 Q488	N199-H202 PolarHBondContact O-N 3.45Å; N199-H202 WeakPolarHBondContact OD1-CB 3.1Å; N199-H202 PolarHBondContact OD1-CD2 2.76Å; H202-D445 IonicContact CE1-OD1 2.96Å; H202-D445 IonicContact CE1-OD2 3.38Å; H202-D445 PolarHBondContact CE1-OD2 2.87Å; H202-D445 IonicContact NE2-OD1 3.79Å; H202-D445 PolarHBondContact NE2-OD1 2.75Å; H202-D445 IonicContact NE2-OD2 3.47Å; H202-D445 PolarHBondContact NE2-OD2 3.02Å; H202-D445 VanDerWaalsContact NE2-OD2 3.13Å; H202-H469 PolarHBondContact O-CE1 2.87Å; H202-H469 PolarHBondContact O-ND1 3.04Å; H202-Q488 PolarHBondContact CD2-OE1 2.91Å; H202-Q488 PolarHBondContact NE2-OE1 3.48Å
203	W	62.9	Low	70.5	Confident	59 Å²	59	33.4 Å²	33.4	22%	0.223	16%	0.164	C	C	.	.			trans	-136.9	144.6	171.6	71.9	-20.6	0	0	0	111.8	C200 R208 H266 R465	C200-W203 VanDerWaalsContact O-O 3.06Å; W203-R208 HydrophobicContact CH2-CB 4.26Å; W203-R208 HydrophobicContact CH2-CG 4.4Å; W203-R208 HydrophobicContact CZ2-CB 4.25Å; W203-H266 AromaticContact CH2-CE1 3.49Å; W203-H266 VanDerWaalsContact CH2-CE1 3.49Å; W203-H266 WeakPolarHBondContact CH2-CE1 3.47Å; W203-H266 AromaticContact CH2-NE2 3.66Å; W203-H266 AromaticContact CZ2-NE2 3.97Å; W203-R465 PolarHBondContact O-NH2 2.99Å
204	I	64.1	Low	70.3	Confident	52 Å²	52	34.1 Å²	34.1	27%	0.267	17%	0.168	S	C	.	.			trans	-118.7	82.4	179.9	-61	-173.9	0	0	0	106.1	W462 M466 H469	I204-W462 HydrophobicContact CB-CH2 4.32Å; I204-W462 HydrophobicContact CG2-CH2 3.16Å; I204-W462 HydrophobicContact CG2-CZ2 3.14Å; I204-W462 HydrophobicContact CG2-CZ3 4.2Å; I204-M466 HydrophobicContact CD1-CB 4.1Å; I204-M466 HydrophobicContact CD1-CE 3.43Å; I204-M466 VanDerWaalsContact CD1-CE 3.43Å; I204-M466 HydrophobicContact CD1-CG 4.25Å; I204-M466 HydrophobicContact CD1-SD 3.2Å; I204-M466 WeakPolarHBondContact CD1-SD 3.47Å; I204-M466 HydrophobicContact CG2-CE 3.8Å; I204-H469 HydrophobicContact CD1-CB 3.65Å; I204-H469 WeakPolarHBondContact CD1-CD2 3.22Å; I204-H469 HydrophobicContact CG1-CB 4.06Å
205	D	65.4	Low	70.1	Confident	50 Å²	50	34.2 Å²	34.2	27%	0.267	17%	0.168	S	C	.	.			trans	-113.7	117.3	170.4	-172.9	-10.2	0	0	0	107.9	S207 R208	D205-S207 VanDerWaalsContact C-N 3.27Å; D205-S207 WeakPolarHBondContact OD1-CA 3.18Å; D205-S207 VanDerWaalsContact OD1-CB 3.31Å; D205-S207 WeakPolarHBondContact OD1-CB 3.38Å; D205-S207 PolarHBondContact OD1-N 3.34Å; D205-S207 PolarHBondContact OD1-OG 3.19Å; D205-S207 PolarHBondContact OD2-OG 3.29Å; D205-S207 VanDerWaalsContact OD2-OG 3.08Å; D205-R208 HydrophobicContact CB-CB 4.24Å
206	R	66.8	Low	69.7	Low	188 Å²	188	37 Å²	37	71%	0.709	18%	0.179	S	C	*	.	S	Bend	trans	-74	-22.8	176.7	-74.1	-174.7	171.2	-176	-3.5	112.3	R208 W462	R206-R208 VanDerWaalsContact C-N 3.29Å; R206-W462 HydrophobicContact CB-CH2 4.44Å; R206-W462 HydrophobicContact CG-CH2 3.32Å; R206-W462 HydrophobicContact CG-CZ2 3.46Å; R206-W462 VanDerWaalsContact CG-CZ2 3.46Å; R206-W462 HydrophobicContact CG-CZ3 4.06Å; R206-W462 VanDerWaalsContact NE-CZ2 3.34Å; R206-W462 VanDerWaalsContact NH2-NE1 3.12Å
207	S	64.9	Low	69.5	Low	85 Å²	85	44.2 Å²	44.2	59%	0.594	21%	0.21	S	C	*	.	S	Bend	trans	-76.9	-19.3	177.7	75.9	0	0	0	0	112.6	D205 P209	D205-S207 VanDerWaalsContact C-N 3.27Å; D205-S207 WeakPolarHBondContact OD1-CA 3.18Å; D205-S207 VanDerWaalsContact OD1-CB 3.31Å; D205-S207 WeakPolarHBondContact OD1-CB 3.38Å; D205-S207 PolarHBondContact OD1-N 3.34Å; D205-S207 PolarHBondContact OD1-OG 3.19Å; D205-S207 PolarHBondContact OD2-OG 3.29Å; D205-S207 VanDerWaalsContact OD2-OG 3.08Å; S207-P209 WeakPolarHBondContact O-CD 3.49Å
208	R	63.5	Low	69.4	Low	60 Å²	60	45.7 Å²	45.7	23%	0.226	22%	0.217	C	C	.	.	S	Bend	trans	-115.8	88.8	175.8	-63	-175.4	175.9	-168.7	-3.9	109.3	W203 D205 R206 L218 H266	W203-R208 HydrophobicContact CH2-CB 4.26Å; W203-R208 HydrophobicContact CH2-CG 4.4Å; W203-R208 HydrophobicContact CZ2-CB 4.25Å; D205-R208 HydrophobicContact CB-CB 4.24Å; R206-R208 VanDerWaalsContact C-N 3.29Å; R208-L218 HydrophobicContact CB-CD2 4.48Å; R208-L218 HydrophobicContact CG-CD2 4.12Å; R208-H266 PolarHBondContact NH1-CE1 3.42Å
209	P	65.3	Low	69.4	Low	65 Å²	65	45.1 Å²	45.1	42%	0.422	22%	0.215	S	C	.	.			trans	-56.5	163.6	179.1	5.2	-10.7	0	0	0	112.4	S207 Q213	S207-P209 WeakPolarHBondContact O-CD 3.49Å; P209-Q213 VanDerWaalsContact C-NE2 3.32Å; P209-Q213 VanDerWaalsContact CD-NE2 3.29Å; P209-Q213 VanDerWaalsContact CG-CD 3.45Å; P209-Q213 HydrophobicContact CG-CG 4.3Å; P209-Q213 PolarHBondContact O-NE2 2.74Å
210	C	70.4	Confident	69.2	Low	11 Å²	11	52 Å²	52	7%	0.074	24%	0.237	C	C	.	.	S	Bend	trans	-87.3	153	175.3	-99.4	0	0	0	0	112.3	C200 P453 R465	C200-C210 WeakPolarHBondContact CA-SG 3.47Å; C200-C210 HydrophobicContact CB-CB 4.02Å; C200-C210 WeakPolarHBondContact CB-SG 3.35Å; C200-C210 WeakPolarHBondContact SG-CB 3.33Å; C200-C210 CovalentContact SG-SG 1.99Å; C200-C210 PolarHBondContact SG-SG 2.49Å; C210-P453 HydrophobicContact CB-CG 4.46Å; C210-P453 VanDerWaalsContact O-CG 3.29Å; C210-P453 WeakPolarHBondContact O-CG 3.42Å; C210-R465 PolarHBondContact SG-NH1 3.43Å; C210-R465 PolarHBondContact SG-NH2 3.02Å
211	G	72.4	Confident	68.8	Low	0 Å²	0	55.7 Å²	55.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	88.3	-149.4	178.7	0	0	0	0	0	113.6	M196 E197	M196-G211 WeakPolarHBondContact CA-O 3.46Å; M196-G211 VanDerWaalsContact SD-CA 3.53Å; E197-G211 PolarHBondContact N-O 3.17Å; E197-G211 PolarHBondContact O-N 3.2Å
212	L	78.1	Confident	68.4	Low	6 Å²	6	64.7 Å²	64.7	3%	0.031	30%	0.3	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	126.5	-170.1	-166.6	72	0	0	0	108.9	C194 I195 M196 I271 H278 I283 C285	C194-L212 HydrophobicContact CB-CD1 3.44Å; C194-L212 VanDerWaalsContact CB-CD1 3.44Å; C194-L212 HydrophobicContact CB-CD2 4.34Å; C194-L212 HydrophobicContact CB-CG 3.79Å; I195-L212 WeakPolarHBondContact O-CA 3.48Å; M196-L212 HydrophobicContact CB-CD1 4.2Å; M196-L212 HydrophobicContact CE-CB 3.97Å; M196-L212 HydrophobicContact CE-CD1 4.11Å; M196-L212 HydrophobicContact SD-CB 4.47Å; L212-I271 HydrophobicContact CD1-CD1 3.7Å; L212-H278 PolarHBondContact N-CE1 2.79Å; L212-H278 PolarHBondContact N-NE2 3.18Å; L212-H278 PolarHBondContact O-NE2 2.78Å; L212-I283 HydrophobicContact CD2-CG2 4.04Å; L212-C285 VanDerWaalsContact CD2-SG 3.55Å
213	Q	80.5	Confident	68	Low	19 Å²	19	65 Å²	65	9%	0.089	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.8	151.2	179.2	-64.8	-168.2	57.1	0	0	111.1	C194 I195 P209 V215 L218	C194-Q213 CarbonylContact C-O 3.4Å; C194-Q213 WeakPolarHBondContact CA-O 3.4Å; C194-Q213 WeakPolarHBondContact CB-O 3.3Å; I195-Q213 HydrophobicContact CG2-CB 4.14Å; I195-Q213 PolarHBondContact N-O 2.74Å; I195-Q213 PolarHBondContact O-N 2.83Å; P209-Q213 VanDerWaalsContact C-NE2 3.32Å; P209-Q213 VanDerWaalsContact CD-NE2 3.29Å; P209-Q213 VanDerWaalsContact CG-CD 3.45Å; P209-Q213 HydrophobicContact CG-CG 4.3Å; P209-Q213 PolarHBondContact O-NE2 2.74Å; Q213-V215 PolarHBondContact O-N 3.48Å; Q213-L218 HydrophobicContact CB-CD1 3.99Å; Q213-L218 HydrophobicContact CB-CG 4.43Å; Q213-L218 HydrophobicContact CG-CD1 4.5Å
214	D	82.7	Confident	67.6	Low	15 Å²	15	62.6 Å²	62.6	8%	0.08	29%	0.293	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-70.6	123.7	168.6	-168.6	-43.3	0	0	0	108.8	R216 K217 C276	D214-R216 PolarHBondContact O-N 3.4Å; D214-R216 VanDerWaalsContact O-N 3.12Å; D214-R216 WeakPolarHBondContact OD1-CB 3.47Å; D214-R216 WeakPolarHBondContact OD1-CG 3.39Å; D214-R216 IonicContact OD1-CZ 3.07Å; D214-R216 PolarHBondContact OD1-N 2.93Å; D214-R216 IonicContact OD1-NE 2.75Å; D214-R216 PolarHBondContact OD1-NE 3.13Å; D214-R216 IonicContact OD1-NH2 3.35Å; D214-R216 IonicContact OD2-CZ 2.93Å; D214-R216 IonicContact OD2-NE 2.8Å; D214-R216 PolarHBondContact OD2-NE 3.4Å; D214-R216 IonicContact OD2-NH2 2.69Å; D214-R216 PolarHBondContact OD2-NH2 3.36Å; D214-K217 HydrophobicContact CB-CD 4.21Å; D214-K217 HydrophobicContact CB-CG 4.1Å; D214-K217 WeakPolarHBondContact O-CB 3.24Å; D214-K217 PolarHBondContact O-N 2.91Å; D214-C276 HydrophobicContact CB-CB 3.93Å
215	V	80.5	Confident	67.1	Low	2 Å²	2	63.2 Å²	63.2	1%	0.012	30%	0.301	C	S	.	.	H	α-helix	trans	-53.8	-34.9	-179.9	171	0	0	0	0	111.2	V193 I195 Q213 K217 L218 F219 W230 F270	V193-V215 HydrophobicContact CB-CB 4.49Å; V193-V215 HydrophobicContact CB-CG2 4.33Å; V193-V215 HydrophobicContact CG1-CB 4.31Å; V193-V215 HydrophobicContact CG1-CG2 3.75Å; V193-V215 WeakPolarHBondContact O-CG2 3.39Å; V193-V215 PolarHBondContact O-N 3.46Å; V193-V215 VanDerWaalsContact O-N 3.13Å; I195-V215 HydrophobicContact CB-CG2 3.74Å; I195-V215 HydrophobicContact CG2-CG2 3.8Å; Q213-V215 PolarHBondContact O-N 3.48Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 3.46Å; V215-L218 PolarHBondContact O-N 2.73Å; V215-L218 VanDerWaalsContact O-N 3.16Å; V215-F219 HydrophobicContact CG1-CD2 3.68Å; V215-F219 HydrophobicContact CG1-CE2 4.22Å; V215-F219 WeakPolarHBondContact O-CD2 3.46Å; V215-F219 PolarHBondContact O-N 3.4Å; V215-W230 HydrophobicContact CB-CH2 4.47Å; V215-W230 HydrophobicContact CG1-CH2 3.98Å; V215-F270 HydrophobicContact CG2-CD1 3.87Å; V215-F270 HydrophobicContact CG2-CE1 3.87Å
216	R	74.9	Confident	66.6	Low	59 Å²	59	64.7 Å²	64.7	22%	0.223	31%	0.308	C	S	.	.	H	α-helix	trans	-72.5	-18.4	-178.4	-56.8	170.4	-66.6	-171.3	6.3	113.8	D214 F219 W230 N231 E232	D214-R216 PolarHBondContact O-N 3.4Å; D214-R216 VanDerWaalsContact O-N 3.12Å; D214-R216 WeakPolarHBondContact OD1-CB 3.47Å; D214-R216 WeakPolarHBondContact OD1-CG 3.39Å; D214-R216 IonicContact OD1-CZ 3.07Å; D214-R216 PolarHBondContact OD1-N 2.93Å; D214-R216 IonicContact OD1-NE 2.75Å; D214-R216 PolarHBondContact OD1-NE 3.13Å; D214-R216 IonicContact OD1-NH2 3.35Å; D214-R216 IonicContact OD2-CZ 2.93Å; D214-R216 IonicContact OD2-NE 2.8Å; D214-R216 PolarHBondContact OD2-NE 3.4Å; D214-R216 IonicContact OD2-NH2 2.69Å; D214-R216 PolarHBondContact OD2-NH2 3.36Å; R216-F219 CarbonylContact C-O 3.59Å; R216-W230 HydrophobicContact CG-CH2 4.33Å; R216-W230 HydrophobicContact CG-CZ2 3.82Å; R216-N231 PolarHBondContact NH1-O 2.89Å; R216-E232 PolarHBondContact NH1-O 2.86Å; R216-E232 VanDerWaalsContact NH1-O 3.1Å; R216-E232 PolarHBondContact NH2-O 3.22Å; R216-E232 VanDerWaalsContact NH2-O 3.14Å
217	K	74.5	Confident	66	Low	168 Å²	168	57.7 Å²	57.7	73%	0.73	29%	0.286	S	S	*	.	H	α-helix	trans	-78.4	-29.2	172.9	-70.8	-177.1	178.3	-175.9	0	111.5	D214 V215	D214-K217 HydrophobicContact CB-CD 4.21Å; D214-K217 HydrophobicContact CB-CG 4.1Å; D214-K217 WeakPolarHBondContact O-CB 3.24Å; D214-K217 PolarHBondContact O-N 2.91Å; V215-K217 VanDerWaalsContact C-N 3.27Å; V215-K217 PolarHBondContact O-N 3.46Å
218	L	71	Confident	65.7	Low	31 Å²	31	59 Å²	59	16%	0.162	30%	0.295	C	S	.	.	H	α-helix	trans	-88.3	-32.6	-178.1	-73.7	178.3	0	0	0	113	I195 R208 Q213 V215	I195-L218 HydrophobicContact CG2-CD1 3.48Å; I195-L218 VanDerWaalsContact CG2-CD1 3.48Å; R208-L218 HydrophobicContact CB-CD2 4.48Å; R208-L218 HydrophobicContact CG-CD2 4.12Å; Q213-L218 HydrophobicContact CB-CD1 3.99Å; Q213-L218 HydrophobicContact CB-CG 4.43Å; Q213-L218 HydrophobicContact CG-CD1 4.5Å; V215-L218 PolarHBondContact O-N 2.73Å; V215-L218 VanDerWaalsContact O-N 3.16Å
219	F	65.8	Low	65.4	Low	7 Å²	7	58.7 Å²	58.7	3%	0.031	31%	0.311	C	S	.	.	S	Bend	trans	-119.2	140.3	-176.6	-53.7	-70.5	0	0	0	109.3	I195 V215 R216 D223 Y224 I264	I195-F219 HydrophobicContact CD1-CE2 4.41Å; V215-F219 HydrophobicContact CG1-CD2 3.68Å; V215-F219 HydrophobicContact CG1-CE2 4.22Å; V215-F219 WeakPolarHBondContact O-CD2 3.46Å; V215-F219 PolarHBondContact O-N 3.4Å; R216-F219 CarbonylContact C-O 3.59Å; F219-D223 HydrophobicContact CB-CB 4.19Å; F219-Y224 HydrophobicContact CB-CD1 3.54Å; F219-Y224 HydrophobicContact CB-CE1 3.42Å; F219-Y224 VanDerWaalsContact CB-CE1 3.42Å; F219-Y224 WeakPolarHBondContact O-CE1 3.48Å; F219-I264 HydrophobicContact CD2-CD1 4.38Å; F219-I264 HydrophobicContact CE1-CD1 4.14Å; F219-I264 HydrophobicContact CE1-CG1 3.63Å; F219-I264 HydrophobicContact CE2-CD1 3.41Å; F219-I264 VanDerWaalsContact CE2-CD1 3.41Å; F219-I264 HydrophobicContact CE2-CG1 3.86Å; F219-I264 HydrophobicContact CZ-CD1 3.29Å; F219-I264 HydrophobicContact CZ-CG1 3.27Å
220	R	59.9	Low	65.3	Low	190 Å²	190	56.5 Å²	56.5	72%	0.717	29%	0.294	S	S	*	.			trans	-84.2	157	172.1	-62.4	179	179.3	179.4	-0.6	109	K222 D223 Y224	R220-K222 PolarHBondContact O-N 2.84Å; R220-D223 WeakPolarHBondContact CB-OD2 3.43Å; R220-D223 PolarHBondContact N-OD2 2.92Å; R220-D223 WeakPolarHBondContact O-CA 3.36Å; R220-D223 VanDerWaalsContact O-CB 3.31Å; R220-D223 WeakPolarHBondContact O-CB 3.32Å; R220-D223 PolarHBondContact O-N 2.81Å; R220-Y224 VanDerWaalsContact C-CE1 3.46Å; R220-Y224 VanDerWaalsContact O-CD1 3.28Å; R220-Y224 WeakPolarHBondContact O-CD1 3.31Å; R220-Y224 WeakPolarHBondContact O-CE1 3.32Å
221	P	56.2	Low	64.8	Low	77 Å²	77	59.8 Å²	59.8	50%	0.5	31%	0.311	S	S	.	.	T	Hydrogen-bonded Turn	trans	-55.7	-13	173.4	-29.1	36.6	0	0	0	115.9	Y224 L226	P221-Y224 CarbonylContact C-O 3.52Å; P221-L226 HydrophobicContact CB-CD1 3.67Å; P221-L226 HydrophobicContact CB-CG 4.06Å; P221-L226 HydrophobicContact CG-CD1 3.83Å; P221-L226 HydrophobicContact CG-CG 4.44Å
222	K	54.4	Low	64.1	Low	189 Å²	189	68.1 Å²	68.1	82%	0.822	35%	0.35	S	S	*	.	T	Hydrogen-bonded Turn	trans	-79.5	-22.5	171.8	-65.5	-173.3	179.1	-176.3	0	112.6	R220	R220-K222 PolarHBondContact O-N 2.84Å
223	D	53.4	Low	63.3	Low	31 Å²	31	71.1 Å²	71.1	17%	0.166	37%	0.372	C	S	.	.	T	Hydrogen-bonded Turn	trans	-90.1	-10.1	-175.2	-50.6	-33.1	0	0	0	112.3	F219 R220 Q263	F219-D223 HydrophobicContact CB-CB 4.19Å; R220-D223 WeakPolarHBondContact CB-OD2 3.43Å; R220-D223 PolarHBondContact N-OD2 2.92Å; R220-D223 WeakPolarHBondContact O-CA 3.36Å; R220-D223 VanDerWaalsContact O-CB 3.31Å; R220-D223 WeakPolarHBondContact O-CB 3.32Å; R220-D223 PolarHBondContact O-N 2.81Å; D223-Q263 HydrophobicContact CB-CB 4.47Å; D223-Q263 HydrophobicContact CB-CG 4.03Å; D223-Q263 VanDerWaalsContact OD1-CD 3.28Å; D223-Q263 PolarHBondContact OD1-NE2 3.3Å; D223-Q263 PolarHBondContact OD1-OE1 3.04Å
224	Y	55.1	Low	62.9	Low	10 Å²	10	70.2 Å²	70.2	4%	0.039	37%	0.368	C	S	.	.	S	Bend	trans	-152.2	129.3	170.4	56.2	-80.1	0	0	0	107.6	F219 R220 P221 L226 W230	F219-Y224 HydrophobicContact CB-CD1 3.54Å; F219-Y224 HydrophobicContact CB-CE1 3.42Å; F219-Y224 VanDerWaalsContact CB-CE1 3.42Å; F219-Y224 WeakPolarHBondContact O-CE1 3.48Å; R220-Y224 VanDerWaalsContact C-CE1 3.46Å; R220-Y224 VanDerWaalsContact O-CD1 3.28Å; R220-Y224 WeakPolarHBondContact O-CD1 3.31Å; R220-Y224 WeakPolarHBondContact O-CE1 3.32Å; P221-Y224 CarbonylContact C-O 3.52Å; Y224-L226 HydrophobicContact CD2-CD2 4.43Å; Y224-L226 HydrophobicContact CE2-CD2 3.58Å; Y224-L226 HydrophobicContact CE2-CG 3.94Å; Y224-L226 PolarHBondContact O-N 3.38Å; Y224-W230 HydrophobicContact CD2-CE3 4.13Å; Y224-W230 HydrophobicContact CD2-CH2 4.21Å; Y224-W230 AromaticContact CD2-CZ3 3.44Å; Y224-W230 HydrophobicContact CD2-CZ3 3.44Å; Y224-W230 VanDerWaalsContact CD2-CZ3 3.44Å; Y224-W230 AromaticContact CE2-CE3 3.9Å; Y224-W230 HydrophobicContact CE2-CE3 3.9Å; Y224-W230 AromaticContact CE2-CH2 3.87Å; Y224-W230 HydrophobicContact CE2-CH2 3.87Å; Y224-W230 AromaticContact CE2-CZ3 3.34Å; Y224-W230 HydrophobicContact CE2-CZ3 3.34Å; Y224-W230 HydrophobicContact CG-CZ3 4.45Å
225	P	54.3	Low	62.7	Low	64 Å²	64	69.6 Å²	69.6	42%	0.416	37%	0.365	S	S	.	.			trans	-59.7	114.3	171.8	25	-30.8	0	0	0	107.4	V227 F242	P225-V227 PolarHBondContact O-N 3.21Å; P225-F242 HydrophobicContact CG-CE2 3.75Å; P225-F242 HydrophobicContact CG-CZ 4.16Å
226	L	52.9	Low	63	Low	82 Å²	82	69.5 Å²	69.5	43%	0.429	36%	0.364	S	S	.	.			trans	-54.5	108.2	168.8	-83	167.5	0	0	0	106.5	P221 Y224 S228 W230	P221-L226 HydrophobicContact CB-CD1 3.67Å; P221-L226 HydrophobicContact CB-CG 4.06Å; P221-L226 HydrophobicContact CG-CD1 3.83Å; P221-L226 HydrophobicContact CG-CG 4.44Å; Y224-L226 HydrophobicContact CD2-CD2 4.43Å; Y224-L226 HydrophobicContact CE2-CD2 3.58Å; Y224-L226 HydrophobicContact CE2-CG 3.94Å; Y224-L226 PolarHBondContact O-N 3.38Å; L226-S228 PolarHBondContact O-N 3.39Å; L226-S228 VanDerWaalsContact O-N 3.13Å; L226-W230 HydrophobicContact CD2-CD2 4.43Å; L226-W230 HydrophobicContact CD2-CE3 4.15Å
227	V	56.1	Low	63.5	Low	41 Å²	41	68.1 Å²	68.1	25%	0.248	36%	0.363	C	S	.	.			trans	-56.7	121.7	167.4	-173.4	0	0	0	0	105.3	P225 G229 W230 L238 F242	P225-V227 PolarHBondContact O-N 3.21Å; V227-G229 PolarHBondContact O-N 2.96Å; V227-G229 VanDerWaalsContact O-N 3.1Å; V227-W230 PolarHBondContact O-N 3.42Å; V227-L238 HydrophobicContact CB-CB 4.49Å; V227-L238 HydrophobicContact CG1-CB 4.27Å; V227-L238 HydrophobicContact CG1-CD2 4.26Å; V227-F242 HydrophobicContact CG2-CB 3.55Å; V227-F242 HydrophobicContact CG2-CD2 4.05Å; V227-F242 HydrophobicContact CG2-CG 3.88Å
228	S	57.6	Low	63.8	Low	111 Å²	111	62.5 Å²	62.5	78%	0.776	34%	0.341	S	S	*	.	T	Hydrogen-bonded Turn	trans	-49.1	121.7	176	49.7	0	0	0	0	109.4	L226	L226-S228 PolarHBondContact O-N 3.39Å; L226-S228 VanDerWaalsContact O-N 3.13Å
229	G	58.1	Low	64.4	Low	55 Å²	55	61.1 Å²	61.1	57%	0.567	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	107.2	-13.7	-177	0	0	0	0	0	115.2	V227 N231 L238	V227-G229 PolarHBondContact O-N 2.96Å; V227-G229 VanDerWaalsContact O-N 3.1Å; G229-N231 PolarHBondContact O-N 2.93Å; G229-N231 VanDerWaalsContact O-N 3.08Å; G229-L238 WeakPolarHBondContact O-CD1 3.42Å
230	W	62.6	Low	65.4	Low	18 Å²	18	62.6 Å²	62.6	7%	0.068	34%	0.341	C	S	.	.			trans	-74.3	98.9	169	-173	7.9	0	0	0	109.1	V193 V215 R216 Y224 L226 V227 F239	V193-W230 HydrophobicContact CB-CH2 4.47Å; V193-W230 HydrophobicContact CB-CZ2 3.75Å; V193-W230 HydrophobicContact CG1-CZ2 4.49Å; V193-W230 HydrophobicContact CG2-CH2 4.39Å; V193-W230 HydrophobicContact CG2-CZ2 3.6Å; V215-W230 HydrophobicContact CB-CH2 4.47Å; V215-W230 HydrophobicContact CG1-CH2 3.98Å; R216-W230 HydrophobicContact CG-CH2 4.33Å; R216-W230 HydrophobicContact CG-CZ2 3.82Å; Y224-W230 HydrophobicContact CD2-CE3 4.13Å; Y224-W230 HydrophobicContact CD2-CH2 4.21Å; Y224-W230 AromaticContact CD2-CZ3 3.44Å; Y224-W230 HydrophobicContact CD2-CZ3 3.44Å; Y224-W230 VanDerWaalsContact CD2-CZ3 3.44Å; Y224-W230 AromaticContact CE2-CE3 3.9Å; Y224-W230 HydrophobicContact CE2-CE3 3.9Å; Y224-W230 AromaticContact CE2-CH2 3.87Å; Y224-W230 HydrophobicContact CE2-CH2 3.87Å; Y224-W230 AromaticContact CE2-CZ3 3.34Å; Y224-W230 HydrophobicContact CE2-CZ3 3.34Å; Y224-W230 HydrophobicContact CG-CZ3 4.45Å; L226-W230 HydrophobicContact CD2-CD2 4.43Å; L226-W230 HydrophobicContact CD2-CE3 4.15Å; V227-W230 PolarHBondContact O-N 3.42Å; W230-F239 AromaticContact CH2-CD2 3.8Å; W230-F239 HydrophobicContact CH2-CD2 3.8Å; W230-F239 HydrophobicContact CH2-CE2 4.35Å; W230-F239 HydrophobicContact CZ2-CD2 4.46Å; W230-F239 AromaticContact CZ3-CD2 3.87Å; W230-F239 HydrophobicContact CZ3-CD2 3.87Å
231	N	59.3	Low	66.5	Low	81 Å²	81	56.6 Å²	56.6	43%	0.433	33%	0.328	S	S	.	.	B	Isolated β-bridge	trans	-106.8	177.4	-173.4	66.1	19.4	0	0	0	112.2	R216 G229 S233 G234	R216-N231 PolarHBondContact NH1-O 2.89Å; G229-N231 PolarHBondContact O-N 2.93Å; G229-N231 VanDerWaalsContact O-N 3.08Å; N231-S233 PolarHBondContact ND2-OG 3.12Å; N231-S233 VanDerWaalsContact ND2-OG 3.16Å; N231-S233 PolarHBondContact O-N 2.82Å; N231-S233 PolarHBondContact OD1-N 3.39Å; N231-S233 PolarHBondContact OD1-OG 2.93Å; N231-G234 PolarHBondContact N-O 3.18Å; N231-G234 PolarHBondContact O-N 2.84Å; N231-G234 VanDerWaalsContact O-O 3.07Å; N231-G234 PolarHBondContact OD1-N 3.39Å; N231-G234 PolarHBondContact OD1-O 3.26Å
232	E	58.2	Low	67.6	Low	174 Å²	174	54.5 Å²	54.5	81%	0.813	31%	0.311	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56.3	-38.4	179.5	-74.1	-165.8	170.7	0	0	113.4	R216	R216-E232 PolarHBondContact NH1-O 2.86Å; R216-E232 VanDerWaalsContact NH1-O 3.1Å; R216-E232 PolarHBondContact NH2-O 3.22Å; R216-E232 VanDerWaalsContact NH2-O 3.14Å
233	S	61.2	Low	68.9	Low	70 Å²	70	45.5 Å²	45.5	49%	0.49	27%	0.272	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72.2	-24.3	-176.6	32.2	0	0	0	0	114.8	N231	N231-S233 PolarHBondContact ND2-OG 3.12Å; N231-S233 VanDerWaalsContact ND2-OG 3.16Å; N231-S233 PolarHBondContact O-N 2.82Å; N231-S233 PolarHBondContact OD1-N 3.39Å; N231-S233 PolarHBondContact OD1-OG 2.93Å
234	G	71.3	Confident	70.2	Confident	0 Å²	0	47.5 Å²	47.5	0%	0	28%	0.28	C	S	.	.	B	Isolated β-bridge	trans	166.6	178.3	-177.1	0	0	0	0	0	112.9	Y189 L191 N231	Y189-G234 CarbonylContact O-C 3.55Å; Y189-G234 WeakPolarHBondContact O-CA 3.34Å; L191-G234 CarbonylContact O-C 3.53Å; L191-G234 WeakPolarHBondContact O-CA 3.33Å; N231-G234 PolarHBondContact N-O 3.18Å; N231-G234 PolarHBondContact O-N 2.84Å; N231-G234 VanDerWaalsContact O-O 3.07Å; N231-G234 PolarHBondContact OD1-N 3.39Å; N231-G234 PolarHBondContact OD1-O 3.26Å
235	G	79.9	Confident	71.2	Confident	2 Å²	2	51.6 Å²	51.6	2%	0.021	31%	0.306	C	S	.	.			trans	161.5	20.3	177.7	0	0	0	0	0	115	Y189 L191 S237 L238 F239	Y189-G235 PolarHBondContact O-N 2.89Å; L191-G235 PolarHBondContact O-N 3.49Å; G235-S237 VanDerWaalsContact C-N 3.31Å; G235-S237 PolarHBondContact O-N 3.32Å; G235-L238 PolarHBondContact O-N 3.15Å; G235-L238 VanDerWaalsContact O-N 3.14Å; G235-F239 PolarHBondContact O-N 3.47Å
236	W	87	Confident	72.2	Confident	0 Å²	0	50.9 Å²	50.9	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-51	-48.9	178.9	174.6	-98.4	0	0	0	112.6	L191 V193 L238 F239 Q240 F270 P272 N289 L291	L191-W236 HydrophobicContact CB-CB 4.07Å; L191-W236 PolarHBondContact O-N 3.08Å; V193-W236 HydrophobicContact CG1-CE3 4.22Å; V193-W236 HydrophobicContact CG1-CZ3 4.18Å; V193-W236 HydrophobicContact CG2-CE3 4.33Å; W236-L238 VanDerWaalsContact C-N 3.29Å; W236-L238 PolarHBondContact O-N 3.12Å; W236-F239 HydrophobicContact CE3-CD1 4.37Å; W236-F239 HydrophobicContact CZ3-CD1 4.16Å; W236-F239 HydrophobicContact CZ3-CE1 4.41Å; W236-F239 PolarHBondContact O-N 3.03Å; W236-Q240 HydrophobicContact CZ2-CB 4.39Å; W236-Q240 VanDerWaalsContact O-CB 3.26Å; W236-Q240 WeakPolarHBondContact O-CB 3.44Å; W236-Q240 PolarHBondContact O-N 3.22Å; W236-F270 HydrophobicContact CH2-CB 4.07Å; W236-F270 HydrophobicContact CZ3-CB 3.98Å; W236-P272 HydrophobicContact CB-CB 4.01Å; W236-P272 HydrophobicContact CD2-CB 3.44Å; W236-P272 VanDerWaalsContact CD2-CB 3.44Å; W236-P272 HydrophobicContact CD2-CG 3.69Å; W236-P272 HydrophobicContact CE3-CB 3.72Å; W236-P272 HydrophobicContact CE3-CG 4.05Å; W236-P272 HydrophobicContact CG-CB 3.53Å; W236-P272 HydrophobicContact CG-CG 4.08Å; W236-P272 HydrophobicContact CH2-CG 4.4Å; W236-P272 HydrophobicContact CZ2-CG 4.09Å; W236-P272 HydrophobicContact CZ3-CB 4.44Å; W236-P272 HydrophobicContact CZ3-CG 4.38Å; W236-N289 WeakPolarHBondContact CZ2-O 3.29Å; W236-L291 HydrophobicContact CH2-CB 4.28Å; W236-L291 HydrophobicContact CH2-CD1 3.68Å; W236-L291 HydrophobicContact CH2-CG 3.72Å; W236-L291 HydrophobicContact CZ2-CD1 3.69Å; W236-L291 HydrophobicContact CZ2-CG 3.73Å
237	S	84.7	Confident	73.3	Confident	29 Å²	29	48 Å²	48	20%	0.203	29%	0.285	C	S	.	.	H	α-helix	trans	-58.2	-40	-179.2	-54.3	0	0	0	0	113	K188 G235 S241	K188-S237 VanDerWaalsContact CB-OG 3.29Å; K188-S237 WeakPolarHBondContact CB-OG 3.3Å; G235-S237 VanDerWaalsContact C-N 3.31Å; G235-S237 PolarHBondContact O-N 3.32Å; S237-S241 WeakPolarHBondContact O-CB 3.32Å; S237-S241 PolarHBondContact O-N 3.17Å; S237-S241 VanDerWaalsContact O-N 3.08Å
238	L	81.6	Confident	74	Confident	50 Å²	50	52.1 Å²	52.1	26%	0.262	31%	0.306	S	S	.	.	H	α-helix	trans	-71.5	-42.6	178.4	-68	173.7	0	0	0	111.4	V227 G229 G235 W236 S241 F242	V227-L238 HydrophobicContact CB-CB 4.49Å; V227-L238 HydrophobicContact CG1-CB 4.27Å; V227-L238 HydrophobicContact CG1-CD2 4.26Å; G229-L238 WeakPolarHBondContact O-CD1 3.42Å; G235-L238 PolarHBondContact O-N 3.15Å; G235-L238 VanDerWaalsContact O-N 3.14Å; W236-L238 VanDerWaalsContact C-N 3.29Å; W236-L238 PolarHBondContact O-N 3.12Å; L238-S241 PolarHBondContact O-N 2.85Å; L238-F242 WeakPolarHBondContact O-CB 3.44Å; L238-F242 PolarHBondContact O-N 3.46Å
239	F	83.6	Confident	73.9	Confident	2 Å²	2	48.6 Å²	48.6	1%	0.009	29%	0.287	C	S	.	.	H	α-helix	trans	-63	-46.3	175.5	174.5	-94.8	0	0	0	111.6	V193 W230 G235 W236 S241 F242 I243 F270	V193-F239 HydrophobicContact CB-CD1 4.42Å; V193-F239 HydrophobicContact CB-CG 4.26Å; V193-F239 HydrophobicContact CG1-CB 4.33Å; V193-F239 HydrophobicContact CG1-CD1 3.42Å; V193-F239 VanDerWaalsContact CG1-CD1 3.42Å; V193-F239 HydrophobicContact CG1-CD2 3.93Å; V193-F239 HydrophobicContact CG1-CE1 3.58Å; V193-F239 HydrophobicContact CG1-CE2 4.07Å; V193-F239 HydrophobicContact CG1-CG 3.6Å; V193-F239 HydrophobicContact CG1-CZ 3.9Å; V193-F239 HydrophobicContact CG2-CB 3.44Å; V193-F239 VanDerWaalsContact CG2-CB 3.44Å; V193-F239 HydrophobicContact CG2-CD1 4.08Å; V193-F239 HydrophobicContact CG2-CD2 4.29Å; V193-F239 HydrophobicContact CG2-CG 3.67Å; W230-F239 AromaticContact CH2-CD2 3.8Å; W230-F239 HydrophobicContact CH2-CD2 3.8Å; W230-F239 HydrophobicContact CH2-CE2 4.35Å; W230-F239 HydrophobicContact CZ2-CD2 4.46Å; W230-F239 AromaticContact CZ3-CD2 3.87Å; W230-F239 HydrophobicContact CZ3-CD2 3.87Å; G235-F239 PolarHBondContact O-N 3.47Å; W236-F239 HydrophobicContact CE3-CD1 4.37Å; W236-F239 HydrophobicContact CZ3-CD1 4.16Å; W236-F239 HydrophobicContact CZ3-CE1 4.41Å; W236-F239 PolarHBondContact O-N 3.03Å; F239-S241 VanDerWaalsContact C-N 3.35Å; F239-S241 PolarHBondContact O-N 2.9Å; F239-F242 HydrophobicContact CD2-CD1 4.48Å; F239-F242 WeakPolarHBondContact O-CB 3.47Å; F239-F242 PolarHBondContact O-N 3.08Å; F239-F242 VanDerWaalsContact O-N 3.15Å; F239-I243 HydrophobicContact CD1-CG2 4.3Å; F239-I243 HydrophobicContact CE1-CB 4.4Å; F239-I243 HydrophobicContact CE1-CD1 4.17Å; F239-I243 HydrophobicContact CE1-CG2 4.01Å; F239-I243 HydrophobicContact CZ-CB 4.38Å; F239-I243 HydrophobicContact CZ-CD1 3.86Å; F239-I243 HydrophobicContact CZ-CG2 4.48Å; F239-I243 WeakPolarHBondContact O-CG2 3.43Å; F239-I243 PolarHBondContact O-N 3.45Å; F239-F270 HydrophobicContact CE1-CB 3.85Å; F239-F270 AromaticContact CE1-CD1 3.95Å; F239-F270 HydrophobicContact CE1-CD1 3.95Å; F239-F270 HydrophobicContact CE1-CD2 4.02Å; F239-F270 HydrophobicContact CE1-CE1 4.44Å; F239-F270 AromaticContact CE1-CG 3.68Å; F239-F270 HydrophobicContact CE1-CG 3.68Å; F239-F270 HydrophobicContact CZ-CB 4.41Å; F239-F270 AromaticContact CZ-CD1 3.66Å; F239-F270 HydrophobicContact CZ-CD1 3.66Å; F239-F270 AromaticContact CZ-CD2 3.94Å; F239-F270 HydrophobicContact CZ-CD2 3.94Å; F239-F270 AromaticContact CZ-CE1 3.71Å; F239-F270 HydrophobicContact CZ-CE1 3.71Å; F239-F270 AromaticContact CZ-CE2 3.98Å; F239-F270 HydrophobicContact CZ-CE2 3.98Å; F239-F270 AromaticContact CZ-CG 3.75Å; F239-F270 HydrophobicContact CZ-CG 3.75Å; F239-F270 AromaticContact CZ-CZ 3.83Å; F239-F270 HydrophobicContact CZ-CZ 3.83Å
240	Q	86.5	Confident	73.5	Confident	39 Å²	39	52.5 Å²	52.5	18%	0.182	30%	0.295	C	S	.	.	H	α-helix	trans	-55.1	-50.9	176.3	174.9	168.5	5.5	0	0	110.3	W236 F242 I243 E244 L291	W236-Q240 HydrophobicContact CZ2-CB 4.39Å; W236-Q240 VanDerWaalsContact O-CB 3.26Å; W236-Q240 WeakPolarHBondContact O-CB 3.44Å; W236-Q240 PolarHBondContact O-N 3.22Å; Q240-F242 VanDerWaalsContact C-N 3.33Å; Q240-F242 PolarHBondContact O-N 3.03Å; Q240-I243 VanDerWaalsContact O-CG2 3.32Å; Q240-I243 WeakPolarHBondContact O-CG2 3.38Å; Q240-I243 PolarHBondContact O-N 3.17Å; Q240-E244 HydrophobicContact CG-CG 4.36Å; Q240-E244 VanDerWaalsContact CG-OE1 3.27Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.2Å; Q240-E244 PolarHBondContact NE2-OE1 3.15Å; Q240-E244 VanDerWaalsContact O-CB 3.27Å; Q240-E244 WeakPolarHBondContact O-CB 3.07Å; Q240-E244 WeakPolarHBondContact O-CG 3.27Å; Q240-E244 PolarHBondContact O-N 3.38Å; Q240-L291 HydrophobicContact CB-CD1 4.32Å; Q240-L291 HydrophobicContact CG-CD1 4.1Å
241	S	82.5	Confident	72.7	Confident	64 Å²	64	54.1 Å²	54.1	45%	0.448	31%	0.308	S	S	.	.	H	α-helix	trans	-61.3	-40.5	177	-179.5	0	0	0	0	112.6	S237 L238 F239 T245	S237-S241 WeakPolarHBondContact O-CB 3.32Å; S237-S241 PolarHBondContact O-N 3.17Å; S237-S241 VanDerWaalsContact O-N 3.08Å; L238-S241 PolarHBondContact O-N 2.85Å; F239-S241 VanDerWaalsContact C-N 3.35Å; F239-S241 PolarHBondContact O-N 2.9Å; S241-T245 WeakPolarHBondContact O-CB 3.27Å; S241-T245 PolarHBondContact O-N 2.98Å; S241-T245 PolarHBondContact O-OG1 2.96Å
242	F	79.9	Confident	71.9	Confident	33 Å²	33	53 Å²	53	15%	0.145	31%	0.307	C	S	.	.	H	α-helix	trans	-63.4	-49.1	176.8	161.8	-101.9	0	0	0	112.7	P225 V227 L238 F239 Q240 T245 L246 L262	P225-F242 HydrophobicContact CG-CE2 3.75Å; P225-F242 HydrophobicContact CG-CZ 4.16Å; V227-F242 HydrophobicContact CG2-CB 3.55Å; V227-F242 HydrophobicContact CG2-CD2 4.05Å; V227-F242 HydrophobicContact CG2-CG 3.88Å; L238-F242 WeakPolarHBondContact O-CB 3.44Å; L238-F242 PolarHBondContact O-N 3.46Å; F239-F242 HydrophobicContact CD2-CD1 4.48Å; F239-F242 WeakPolarHBondContact O-CB 3.47Å; F239-F242 PolarHBondContact O-N 3.08Å; F239-F242 VanDerWaalsContact O-N 3.15Å; Q240-F242 VanDerWaalsContact C-N 3.33Å; Q240-F242 PolarHBondContact O-N 3.03Å; F242-T245 PolarHBondContact O-N 3.24Å; F242-L246 HydrophobicContact CZ-CD2 4.42Å; F242-L246 WeakPolarHBondContact O-CB 3.42Å; F242-L246 PolarHBondContact O-N 3.39Å; F242-L262 HydrophobicContact CE1-CD1 3.7Å; F242-L262 HydrophobicContact CE1-CG 4.41Å; F242-L262 HydrophobicContact CZ-CD1 4.42Å
243	I	80.6	Confident	71.3	Confident	0 Å²	0	51.1 Å²	51.1	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-70.2	-36.6	-178.1	-163.3	170	0	0	0	111	F239 Q240 L246 C247 L262 F270 L291 Y293 L303	F239-I243 HydrophobicContact CD1-CG2 4.3Å; F239-I243 HydrophobicContact CE1-CB 4.4Å; F239-I243 HydrophobicContact CE1-CD1 4.17Å; F239-I243 HydrophobicContact CE1-CG2 4.01Å; F239-I243 HydrophobicContact CZ-CB 4.38Å; F239-I243 HydrophobicContact CZ-CD1 3.86Å; F239-I243 HydrophobicContact CZ-CG2 4.48Å; F239-I243 WeakPolarHBondContact O-CG2 3.43Å; F239-I243 PolarHBondContact O-N 3.45Å; Q240-I243 VanDerWaalsContact O-CG2 3.32Å; Q240-I243 WeakPolarHBondContact O-CG2 3.38Å; Q240-I243 PolarHBondContact O-N 3.17Å; I243-L246 PolarHBondContact O-N 2.82Å; I243-C247 VanDerWaalsContact O-CB 3.3Å; I243-C247 WeakPolarHBondContact O-CB 3.32Å; I243-C247 PolarHBondContact O-N 3.35Å; I243-C247 PolarHBondContact O-SG 3.34Å; I243-L262 HydrophobicContact CD1-CD1 3.99Å; I243-L262 HydrophobicContact CG1-CD1 3.99Å; I243-F270 HydrophobicContact CD1-CD2 3.64Å; I243-F270 HydrophobicContact CD1-CE2 3.32Å; I243-F270 HydrophobicContact CD1-CZ 4.18Å; I243-L291 HydrophobicContact CG2-CD1 3.69Å; I243-Y293 HydrophobicContact CD1-CD2 3.95Å; I243-Y293 HydrophobicContact CD1-CG 4.45Å; I243-L303 HydrophobicContact CB-CD1 4.36Å; I243-L303 HydrophobicContact CD1-CD2 4.08Å; I243-L303 HydrophobicContact CG1-CD1 4.02Å; I243-L303 HydrophobicContact CG1-CD2 4.28Å; I243-L303 HydrophobicContact CG1-CG 4.21Å; I243-L303 HydrophobicContact CG2-CD1 3.94Å
244	E	80.7	Confident	70.3	Confident	73 Å²	73	51.4 Å²	51.4	34%	0.341	30%	0.304	S	S	.	.	H	α-helix	trans	-60.4	-47.3	171.1	-73.8	170.8	174.7	0	0	111	Q240 L246 C247 D248 L303	Q240-E244 HydrophobicContact CG-CG 4.36Å; Q240-E244 VanDerWaalsContact CG-OE1 3.27Å; Q240-E244 WeakPolarHBondContact CG-OE1 3.2Å; Q240-E244 PolarHBondContact NE2-OE1 3.15Å; Q240-E244 VanDerWaalsContact O-CB 3.27Å; Q240-E244 WeakPolarHBondContact O-CB 3.07Å; Q240-E244 WeakPolarHBondContact O-CG 3.27Å; Q240-E244 PolarHBondContact O-N 3.38Å; E244-L246 PolarHBondContact O-N 3.4Å; E244-C247 CarbonylContact O-C 3.6Å; E244-C247 PolarHBondContact O-N 2.94Å; E244-D248 WeakPolarHBondContact O-CB 3.38Å; E244-D248 PolarHBondContact O-N 3.06Å; E244-L303 HydrophobicContact CG-CD1 4.02Å
245	T	77.3	Confident	69	Low	95 Å²	95	60.4 Å²	60.4	58%	0.583	34%	0.338	S	S	*	.	H	α-helix	trans	-63.1	-41.2	176.9	-56.8	0	0	0	0	112.2	S241 F242 C247 G249	S241-T245 WeakPolarHBondContact O-CB 3.27Å; S241-T245 PolarHBondContact O-N 2.98Å; S241-T245 PolarHBondContact O-OG1 2.96Å; F242-T245 PolarHBondContact O-N 3.24Å; T245-C247 VanDerWaalsContact C-N 3.26Å; T245-C247 PolarHBondContact O-N 2.83Å; T245-G249 PolarHBondContact O-N 3.45Å
246	L	75	Confident	67.3	Low	49 Å²	49	64.1 Å²	64.1	26%	0.257	36%	0.357	S	S	.	.	H	α-helix	trans	-60	-39.8	176.4	-178.3	69.6	0	0	0	111.2	F242 I243 E244 L262	F242-L246 HydrophobicContact CZ-CD2 4.42Å; F242-L246 WeakPolarHBondContact O-CB 3.42Å; F242-L246 PolarHBondContact O-N 3.39Å; I243-L246 PolarHBondContact O-N 2.82Å; E244-L246 PolarHBondContact O-N 3.4Å; L246-L262 HydrophobicContact CD2-CB 4.41Å; L246-L262 HydrophobicContact CD2-CD1 3.56Å
247	C	75.5	Confident	65	Low	21 Å²	21	72.9 Å²	72.9	14%	0.142	40%	0.395	C	S	.	.	H	α-helix	trans	-87.8	-23.2	-176	-63.7	0	0	0	0	114.7	I243 E244 T245 G249 C302 L303	I243-C247 VanDerWaalsContact O-CB 3.3Å; I243-C247 WeakPolarHBondContact O-CB 3.32Å; I243-C247 PolarHBondContact O-N 3.35Å; I243-C247 PolarHBondContact O-SG 3.34Å; E244-C247 CarbonylContact O-C 3.6Å; E244-C247 PolarHBondContact O-N 2.94Å; T245-C247 VanDerWaalsContact C-N 3.26Å; T245-C247 PolarHBondContact O-N 2.83Å; C247-G249 VanDerWaalsContact C-N 3.31Å; C247-G249 CarbonylContact C-O 3.58Å; C247-G249 VanDerWaalsContact O-O 3.12Å; C247-C302 WeakPolarHBondContact CA-SG 3.44Å; C247-C302 HydrophobicContact CB-CB 3.46Å; C247-C302 VanDerWaalsContact CB-CB 3.46Å; C247-C302 WeakPolarHBondContact CB-SG 3.26Å; C247-C302 WeakPolarHBondContact SG-CB 3.45Å; C247-C302 CovalentContact SG-SG 2.01Å; C247-C302 PolarHBondContact SG-SG 3.15Å; C247-L303 HydrophobicContact CB-CB 4.13Å; C247-L303 HydrophobicContact CB-CD1 4.02Å; C247-L303 HydrophobicContact CB-CG 4.1Å; C247-L303 WeakPolarHBondContact SG-CG 3.44Å
248	D	70.6	Confident	63	Low	129 Å²	129	78 Å²	78	69%	0.69	42%	0.42	S	S	*	.	H	α-helix	trans	-72.5	-28.2	171.2	-83.6	-12.8	0	0	0	111.3	E244 N250	E244-D248 WeakPolarHBondContact O-CB 3.38Å; E244-D248 PolarHBondContact O-N 3.06Å; D248-N250 PolarHBondContact O-N 3.28Å
249	G	56.3	Low	61.4	Low	36 Å²	36	77.6 Å²	77.6	37%	0.371	43%	0.428	S	S	.	.	S	Bend	trans	-58.5	136.8	161.7	0	0	0	0	0	109.4	T245 C247 C251	T245-G249 PolarHBondContact O-N 3.45Å; C247-G249 VanDerWaalsContact C-N 3.31Å; C247-G249 CarbonylContact C-O 3.58Å; C247-G249 VanDerWaalsContact O-O 3.12Å; G249-C251 VanDerWaalsContact C-N 3.28Å; G249-C251 PolarHBondContact O-N 2.69Å
250	N	49.1	Very low	59.9	Low	138 Å²	138	84.8 Å²	84.8	74%	0.738	46%	0.459	S	S	*	.			trans	-52.2	96.3	169.8	-92	-16.6	0	0	0	108.7	D248 S252	D248-N250 PolarHBondContact O-N 3.28Å; N250-S252 PolarHBondContact O-N 2.87Å
251	C	45.8	Very low	58.4	Low	51 Å²	51	83.2 Å²	83.2	35%	0.345	45%	0.454	S	S	.	.			trans	-66.8	72.8	171.8	-100.2	0	0	0	0	107.7	G249 L253 P301 C302	G249-C251 VanDerWaalsContact C-N 3.28Å; G249-C251 PolarHBondContact O-N 2.69Å; C251-L253 PolarHBondContact O-N 2.55Å; C251-P301 HydrophobicContact CB-CB 4.17Å; C251-C302 HydrophobicContact CB-CB 4.28Å
252	S	41.7	Very low	57.5	Low	59 Å²	59	80.4 Å²	80.4	41%	0.413	43%	0.434	S	S	.	.			trans	-65.6	120.9	153.5	-56.9	0	0	0	0	105.1	N250 S254 R255	N250-S252 PolarHBondContact O-N 2.87Å; S252-S254 WeakPolarHBondContact CB-OG 2.9Å; S252-S254 PolarHBondContact O-N 3.06Å; S252-R255 PolarHBondContact O-N 3.39Å
253	L	46	Very low	56.8	Low	133 Å²	133	83.2 Å²	83.2	70%	0.696	45%	0.447	S	S	*	.	G	3₁₀ helix	trans	-43.4	-26.1	169.6	-86.7	140.3	0	0	0	112.4	C251	C251-L253 PolarHBondContact O-N 2.55Å
254	S	41.3	Very low	56.3	Low	77 Å²	77	83.3 Å²	83.3	54%	0.538	45%	0.448	S	S	.	.	G	3₁₀ helix	trans	-74.8	-17.5	176.7	63.9	0	0	0	0	116.3	S252 N256 K257	S252-S254 WeakPolarHBondContact CB-OG 2.9Å; S252-S254 PolarHBondContact O-N 3.06Å; S254-N256 VanDerWaalsContact C-N 3.31Å; S254-N256 PolarHBondContact O-N 2.65Å; S254-K257 WeakPolarHBondContact O-CG 3.46Å
255	R	42.4	Very low	55.8	Low	189 Å²	189	85.8 Å²	85.8	71%	0.713	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-81.9	-5.1	-178.9	-90.3	-173.7	179.7	176.2	0.5	114.5	S252 K257	S252-R255 PolarHBondContact O-N 3.39Å; R255-K257 PolarHBondContact O-N 2.88Å; R255-K257 VanDerWaalsContact O-N 3.11Å
256	N	44.2	Very low	55.6	Low	79 Å²	79	82.9 Å²	82.9	42%	0.422	44%	0.442	S	S	.	.	G	3₁₀ helix	trans	-69.9	-0.4	169.1	-118.1	-12	0	0	0	113.5	S254 N258 G259 G261	S254-N256 VanDerWaalsContact C-N 3.31Å; S254-N256 PolarHBondContact O-N 2.65Å; N256-N258 PolarHBondContact O-N 3.11Å; N256-G259 PolarHBondContact O-N 2.97Å; N256-G261 WeakPolarHBondContact OD1-CA 3.33Å; N256-G261 PolarHBondContact OD1-N 3.4Å
257	K	39.9	Very low	55.6	Low	184 Å²	184	82.1 Å²	82.1	80%	0.8	44%	0.441	S	S	*	.	G	3₁₀ helix	trans	-57.9	-26.2	177.4	-81.4	-175.8	179.7	-172.1	0	114.8	S254 R255 G259	S254-K257 WeakPolarHBondContact O-CG 3.46Å; R255-K257 PolarHBondContact O-N 2.88Å; R255-K257 VanDerWaalsContact O-N 3.11Å; K257-G259 PolarHBondContact O-N 2.76Å
258	N	43	Very low	55.7	Low	136 Å²	136	81.2 Å²	81.2	73%	0.727	43%	0.434	S	S	*	.	G	3₁₀ helix	trans	-83.2	3	178.9	-69.4	0.2	0	0	0	113.2	N256 K260	N256-N258 PolarHBondContact O-N 3.11Å; N258-K260 PolarHBondContact O-N 2.81Å
259	G	46.9	Very low	56.3	Low	42 Å²	42	75.7 Å²	75.7	43%	0.433	40%	0.404	S	S	.	.	S	Bend	trans	64.4	9.9	-179.4	0	0	0	0	0	114.6	N256 K257	N256-G259 PolarHBondContact O-N 2.97Å; K257-G259 PolarHBondContact O-N 2.76Å
260	K	51.8	Low	57.7	Low	153 Å²	153	74 Å²	74	67%	0.665	39%	0.386	S	S	*	.			trans	-95.3	-6.1	-175.5	-71.1	-169.3	178.8	-174.4	0	114.7	N258	N258-K260 PolarHBondContact O-N 2.81Å
261	G	56.5	Low	59.4	Low	6 Å²	6	67.4 Å²	67.4	6%	0.062	35%	0.351	C	S	.	.	S	Bend	trans	-87.9	166.1	174.8	0	0	0	0	0	111.9	N256 Q263	N256-G261 WeakPolarHBondContact OD1-CA 3.33Å; N256-G261 PolarHBondContact OD1-N 3.4Å; G261-Q263 PolarHBondContact O-N 2.89Å
262	L	62.8	Low	61.3	Low	5 Å²	5	65 Å²	65	3%	0.026	34%	0.335	C	S	.	.			trans	-54.4	124	170.9	-90.6	119.1	0	0	0	109.6	F242 I243 L246 I264 F270	F242-L262 HydrophobicContact CE1-CD1 3.7Å; F242-L262 HydrophobicContact CE1-CG 4.41Å; F242-L262 HydrophobicContact CZ-CD1 4.42Å; I243-L262 HydrophobicContact CD1-CD1 3.99Å; I243-L262 HydrophobicContact CG1-CD1 3.99Å; L246-L262 HydrophobicContact CD2-CB 4.41Å; L246-L262 HydrophobicContact CD2-CD1 3.56Å; L262-I264 HydrophobicContact CB-CG1 4.4Å; L262-I264 HydrophobicContact CD2-CD1 3.65Å; L262-I264 HydrophobicContact CD2-CG1 3.8Å; L262-I264 PolarHBondContact O-N 3.46Å; L262-F270 HydrophobicContact CD2-CE1 4.48Å; L262-F270 HydrophobicContact CD2-CZ 3.72Å
263	Q	65.8	Low	63.2	Low	93 Å²	93	62.1 Å²	62.1	44%	0.435	32%	0.315	S	S	.	.			trans	-72.2	14.6	173.5	-65.4	-175.6	10.2	0	0	113.4	D223 G261 I265	D223-Q263 HydrophobicContact CB-CB 4.47Å; D223-Q263 HydrophobicContact CB-CG 4.03Å; D223-Q263 VanDerWaalsContact OD1-CD 3.28Å; D223-Q263 PolarHBondContact OD1-NE2 3.3Å; D223-Q263 PolarHBondContact OD1-OE1 3.04Å; G261-Q263 PolarHBondContact O-N 2.89Å; Q263-I265 PolarHBondContact O-N 3.28Å
264	I	70.6	Confident	64.9	Low	2 Å²	2	60.3 Å²	60.3	1%	0.01	30%	0.301	C	S	.	.			trans	-83.4	113.1	174.3	-49.7	-165.4	0	0	0	107.8	I195 F219 L262 H266 F270 Y293	I195-I264 HydrophobicContact CD1-CD1 3.66Å; F219-I264 HydrophobicContact CD2-CD1 4.38Å; F219-I264 HydrophobicContact CE1-CD1 4.14Å; F219-I264 HydrophobicContact CE1-CG1 3.63Å; F219-I264 HydrophobicContact CE2-CD1 3.41Å; F219-I264 VanDerWaalsContact CE2-CD1 3.41Å; F219-I264 HydrophobicContact CE2-CG1 3.86Å; F219-I264 HydrophobicContact CZ-CD1 3.29Å; F219-I264 HydrophobicContact CZ-CG1 3.27Å; L262-I264 HydrophobicContact CB-CG1 4.4Å; L262-I264 HydrophobicContact CD2-CD1 3.65Å; L262-I264 HydrophobicContact CD2-CG1 3.8Å; L262-I264 PolarHBondContact O-N 3.46Å; I264-H266 WeakPolarHBondContact CG2-O 3.46Å; I264-F270 HydrophobicContact CD1-CE1 3.91Å; I264-F270 HydrophobicContact CD1-CZ 3.53Å; I264-Y293 HydrophobicContact CB-CD1 4.33Å; I264-Y293 HydrophobicContact CB-CE1 3.73Å; I264-Y293 HydrophobicContact CG2-CD1 4.1Å; I264-Y293 HydrophobicContact CG2-CE1 3.88Å; I264-Y293 WeakPolarHBondContact O-CE1 3.5Å; I264-Y293 PolarHBondContact O-OH 3.44Å
265	I	70.2	Confident	66.7	Low	124 Å²	124	57.7 Å²	57.7	64%	0.636	28%	0.283	S	S	*	.			trans	-102.8	5.1	-178.6	61.3	167.6	0	0	0	112.7	Q263 N296	Q263-I265 PolarHBondContact O-N 3.28Å; I265-N296 PolarHBondContact O-ND2 2.9Å
266	H	72.1	Confident	68.4	Low	34 Å²	34	49 Å²	49	16%	0.157	25%	0.252	C	S	.	.	S	Bend	trans	-127.8	165.9	-179.1	63.1	-82.7	0	0	0	110.4	E197 W203 R208 I264 P295	E197-H266 VanDerWaalsContact CD-NE2 3.25Å; E197-H266 IonicContact OE1-CD2 2.65Å; E197-H266 IonicContact OE1-CE1 3.06Å; E197-H266 PolarHBondContact OE1-CE1 3.41Å; E197-H266 IonicContact OE1-NE2 2.69Å; E197-H266 PolarHBondContact OE1-NE2 2.9Å; E197-H266 IonicContact OE2-CD2 3.51Å; E197-H266 PolarHBondContact OE2-CD2 2.93Å; E197-H266 IonicContact OE2-NE2 3.95Å; E197-H266 PolarHBondContact OE2-NE2 3.19Å; W203-H266 AromaticContact CH2-CE1 3.49Å; W203-H266 VanDerWaalsContact CH2-CE1 3.49Å; W203-H266 WeakPolarHBondContact CH2-CE1 3.47Å; W203-H266 AromaticContact CH2-NE2 3.66Å; W203-H266 AromaticContact CZ2-NE2 3.97Å; R208-H266 PolarHBondContact NH1-CE1 3.42Å; I264-H266 WeakPolarHBondContact CG2-O 3.46Å; H266-P295 WeakPolarHBondContact O-CD 3.45Å
267	S	75.2	Confident	69.7	Low	34 Å²	34	48.9 Å²	48.9	24%	0.238	25%	0.251	C	S	.	.			trans	-77.6	134.5	-179	-13.9	0	0	0	0	110.9	W292 Y293 E294	S267-W292 VanDerWaalsContact CB-CH2 3.46Å; S267-Y293 CarbonylContact C-O 3.52Å; S267-Y293 WeakPolarHBondContact CA-O 3.5Å; S267-E294 WeakPolarHBondContact CB-OE2 3.1Å; S267-E294 VanDerWaalsContact OG-CD 3.26Å; S267-E294 PolarHBondContact OG-OE2 3.42Å
268	A	78.1	Confident	70.6	Confident	1 Å²	1	41.4 Å²	41.4	1%	0.008	22%	0.219	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153.8	156.5	-178.9	0	0	0	0	0	112.3	I195 W292 Y293	I195-A268 HydrophobicContact CD1-CB 3.69Å; I195-A268 HydrophobicContact CG1-CB 3.8Å; A268-W292 VanDerWaalsContact C-CE3 3.44Å; A268-W292 VanDerWaalsContact C-CZ3 3.45Å; A268-W292 VanDerWaalsContact O-CE3 3.3Å; A268-Y293 PolarHBondContact N-O 3.41Å; A268-Y293 PolarHBondContact O-N 3.17Å
269	W	82.4	Confident	71.3	Confident	13 Å²	13	41 Å²	41	5%	0.049	22%	0.215	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.9	169.8	-75.3	101.5	0	0	0	110.1	I195 M196 I271 A290 L291 W292 H507 V508	I195-W269 CarbonylContact C-O 3.58Å; I195-W269 VanDerWaalsContact CA-O 3.27Å; I195-W269 WeakPolarHBondContact CA-O 3.33Å; M196-W269 HydrophobicContact CB-CB 4.12Å; M196-W269 PolarHBondContact N-O 3.04Å; W269-I271 HydrophobicContact CB-CD1 4.23Å; W269-I271 HydrophobicContact CB-CG1 4.23Å; W269-A290 HydrophobicContact CE3-CB 4.02Å; W269-A290 HydrophobicContact CZ3-CB 4.29Å; W269-L291 CarbonylContact C-O 3.55Å; W269-L291 WeakPolarHBondContact CA-O 3.31Å; W269-W292 HydrophobicContact CB-CE3 4.41Å; W269-W292 AromaticContact CD1-CE3 3.44Å; W269-W292 VanDerWaalsContact CD1-CE3 3.44Å; W269-W292 AromaticContact CD1-CZ3 3.35Å; W269-W292 HydrophobicContact CD2-CB 4.25Å; W269-W292 HydrophobicContact CD2-CD2 4.4Å; W269-W292 AromaticContact CD2-CE3 3.54Å; W269-W292 HydrophobicContact CD2-CE3 3.54Å; W269-W292 HydrophobicContact CD2-CZ3 4.27Å; W269-W292 AromaticContact CE2-CE3 3.37Å; W269-W292 AromaticContact CE2-CZ3 3.98Å; W269-W292 HydrophobicContact CE3-CB 3.88Å; W269-W292 HydrophobicContact CE3-CE3 4.3Å; W269-W292 AromaticContact CG-CE3 3.58Å; W269-W292 HydrophobicContact CG-CE3 3.58Å; W269-W292 AromaticContact CG-CZ3 3.91Å; W269-W292 HydrophobicContact CG-CZ3 3.91Å; W269-W292 HydrophobicContact CH2-CB 3.71Å; W269-W292 HydrophobicContact CH2-CG 4.45Å; W269-W292 HydrophobicContact CZ2-CB 4.06Å; W269-W292 HydrophobicContact CZ2-CD2 4.28Å; W269-W292 HydrophobicContact CZ2-CE3 4.02Å; W269-W292 HydrophobicContact CZ2-CG 4.37Å; W269-W292 HydrophobicContact CZ3-CB 3.61Å; W269-W292 AromaticContact NE1-CE3 3.28Å; W269-W292 VanDerWaalsContact NE1-CE3 3.28Å; W269-W292 AromaticContact NE1-CZ3 3.37Å; W269-H507 HydrophobicContact CZ2-CB 3.99Å; W269-H507 AromaticContact NE1-CG 3.95Å; W269-V508 HydrophobicContact CH2-CG2 3.98Å; W269-V508 HydrophobicContact CZ2-CG2 4.17Å
270	F	85.4	Confident	71.4	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100	132.1	162.8	-62.5	-71.1	0	0	0	109.8	V193 C194 I195 V215 W236 F239 I243 L262 I264 A290 L291 Y293	V193-F270 HydrophobicContact CG1-CD1 4.39Å; C194-F270 CarbonylContact O-C 3.42Å; C194-F270 VanDerWaalsContact O-CA 3.25Å; C194-F270 WeakPolarHBondContact O-CA 3.37Å; I195-F270 HydrophobicContact CB-CD1 4.04Å; I195-F270 HydrophobicContact CB-CE1 4.12Å; I195-F270 HydrophobicContact CD1-CE1 3.97Å; I195-F270 HydrophobicContact CD1-CZ 4.49Å; I195-F270 HydrophobicContact CG1-CD1 4.32Å; I195-F270 HydrophobicContact CG1-CE1 4.19Å; V215-F270 HydrophobicContact CG2-CD1 3.87Å; V215-F270 HydrophobicContact CG2-CE1 3.87Å; W236-F270 HydrophobicContact CH2-CB 4.07Å; W236-F270 HydrophobicContact CZ3-CB 3.98Å; F239-F270 HydrophobicContact CE1-CB 3.85Å; F239-F270 AromaticContact CE1-CD1 3.95Å; F239-F270 HydrophobicContact CE1-CD1 3.95Å; F239-F270 HydrophobicContact CE1-CD2 4.02Å; F239-F270 HydrophobicContact CE1-CE1 4.44Å; F239-F270 AromaticContact CE1-CG 3.68Å; F239-F270 HydrophobicContact CE1-CG 3.68Å; F239-F270 HydrophobicContact CZ-CB 4.41Å; F239-F270 AromaticContact CZ-CD1 3.66Å; F239-F270 HydrophobicContact CZ-CD1 3.66Å; F239-F270 AromaticContact CZ-CD2 3.94Å; F239-F270 HydrophobicContact CZ-CD2 3.94Å; F239-F270 AromaticContact CZ-CE1 3.71Å; F239-F270 HydrophobicContact CZ-CE1 3.71Å; F239-F270 AromaticContact CZ-CE2 3.98Å; F239-F270 HydrophobicContact CZ-CE2 3.98Å; F239-F270 AromaticContact CZ-CG 3.75Å; F239-F270 HydrophobicContact CZ-CG 3.75Å; F239-F270 AromaticContact CZ-CZ 3.83Å; F239-F270 HydrophobicContact CZ-CZ 3.83Å; I243-F270 HydrophobicContact CD1-CD2 3.64Å; I243-F270 HydrophobicContact CD1-CE2 3.32Å; I243-F270 HydrophobicContact CD1-CZ 4.18Å; L262-F270 HydrophobicContact CD2-CE1 4.48Å; L262-F270 HydrophobicContact CD2-CZ 3.72Å; I264-F270 HydrophobicContact CD1-CE1 3.91Å; I264-F270 HydrophobicContact CD1-CZ 3.53Å; F270-A290 CarbonylContact O-C 3.49Å; F270-A290 VanDerWaalsContact O-CA 3.27Å; F270-A290 WeakPolarHBondContact O-CA 3.49Å; F270-L291 HydrophobicContact CB-CB 4.35Å; F270-L291 PolarHBondContact N-O 2.78Å; F270-L291 PolarHBondContact O-N 2.95Å; F270-Y293 VanDerWaalsContact CE2-CB 3.48Å; F270-Y293 HydrophobicContact CE2-CD1 4.27Å; F270-Y293 HydrophobicContact CE2-CD2 4.44Å; F270-Y293 AromaticContact CE2-CG 3.84Å; F270-Y293 HydrophobicContact CE2-CG 3.84Å
271	I	84.7	Confident	71.4	Confident	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.214	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.9	130.3	-171.3	-51.7	145.4	0	0	0	108.7	C194 M196 L212 W269 C273 C285 W287 A290	C194-I271 WeakPolarHBondContact CB-O 3.37Å; C194-I271 PolarHBondContact N-O 2.84Å; C194-I271 PolarHBondContact O-N 3.29Å; M196-I271 HydrophobicContact CB-CD1 3.35Å; M196-I271 HydrophobicContact CG-CD1 4.27Å; L212-I271 HydrophobicContact CD1-CD1 3.7Å; W269-I271 HydrophobicContact CB-CD1 4.23Å; W269-I271 HydrophobicContact CB-CG1 4.23Å; I271-C273 PolarHBondContact O-N 2.92Å; I271-C285 HydrophobicContact CG2-CB 3.77Å; I271-W287 HydrophobicContact CD1-CE3 3.92Å; I271-W287 HydrophobicContact CD1-CH2 3.14Å; I271-W287 HydrophobicContact CD1-CZ2 3.86Å; I271-W287 HydrophobicContact CD1-CZ3 3.14Å; I271-W287 HydrophobicContact CG1-CE3 3.76Å; I271-W287 HydrophobicContact CG1-CH2 3.95Å; I271-W287 HydrophobicContact CG1-CZ3 3.43Å; I271-W287 VanDerWaalsContact CG1-CZ3 3.43Å; I271-W287 HydrophobicContact CG2-CD2 4.03Å; I271-W287 HydrophobicContact CG2-CE3 3.99Å; I271-W287 HydrophobicContact CG2-CZ3 4.37Å; I271-A290 HydrophobicContact CB-CB 4.49Å; I271-A290 HydrophobicContact CG1-CB 3.96Å; I271-A290 HydrophobicContact CG2-CB 4.41Å
272	P	86.1	Confident	71.3	Confident	0 Å²	0	45.1 Å²	45.1	0%	0	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.6	124.4	170.2	18.8	-18.6	0	0	0	110.4	L191 K192 W236 C285 D286 N289	L191-P272 HydrophobicContact CB-CB 3.94Å; L191-P272 HydrophobicContact CD1-CB 3.79Å; L191-P272 HydrophobicContact CG-CB 4.45Å; K192-P272 WeakPolarHBondContact O-CA 3.25Å; W236-P272 HydrophobicContact CB-CB 4.01Å; W236-P272 HydrophobicContact CD2-CB 3.44Å; W236-P272 VanDerWaalsContact CD2-CB 3.44Å; W236-P272 HydrophobicContact CD2-CG 3.69Å; W236-P272 HydrophobicContact CE3-CB 3.72Å; W236-P272 HydrophobicContact CE3-CG 4.05Å; W236-P272 HydrophobicContact CG-CB 3.53Å; W236-P272 HydrophobicContact CG-CG 4.08Å; W236-P272 HydrophobicContact CH2-CG 4.4Å; W236-P272 HydrophobicContact CZ2-CG 4.09Å; W236-P272 HydrophobicContact CZ3-CB 4.44Å; W236-P272 HydrophobicContact CZ3-CG 4.38Å; P272-C285 CarbonylContact O-C 3.42Å; P272-C285 VanDerWaalsContact O-CA 3.28Å; P272-C285 WeakPolarHBondContact O-CA 3.3Å; P272-D286 WeakPolarHBondContact CD-O 3.29Å; P272-D286 HydrophobicContact CG-CB 4.02Å; P272-D286 WeakPolarHBondContact CG-O 3.42Å; P272-D286 PolarHBondContact O-N 2.87Å; P272-N289 HydrophobicContact CG-CB 3.91Å
273	C	82.6	Confident	70.9	Confident	0 Å²	0	47.7 Å²	47.7	0%	0	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	151.8	174.7	-43.6	0	0	0	0	112	K192 C194 I271 S275 N284 C285	K192-C273 WeakPolarHBondContact CB-O 3.46Å; K192-C273 PolarHBondContact N-O 3.25Å; K192-C273 PolarHBondContact O-N 3.48Å; C194-C273 WeakPolarHBondContact SG-CB 3.47Å; I271-C273 PolarHBondContact O-N 2.92Å; C273-S275 VanDerWaalsContact C-N 3.27Å; C273-S275 VanDerWaalsContact CB-O 3.28Å; C273-S275 WeakPolarHBondContact CB-O 3.46Å; C273-S275 PolarHBondContact O-N 2.82Å; C273-N284 WeakPolarHBondContact CA-O 3.17Å; C273-C285 HydrophobicContact CB-CB 3.96Å; C273-C285 WeakPolarHBondContact CB-SG 3.48Å; C273-C285 VanDerWaalsContact SG-CA 3.57Å; C273-C285 WeakPolarHBondContact SG-CB 3.37Å; C273-C285 CovalentContact SG-SG 2.03Å; C273-C285 PolarHBondContact SG-SG 3.47Å
274	K	80.5	Confident	71.1	Confident	94 Å²	94	45.1 Å²	45.1	41%	0.409	24%	0.235	S	C	.	.	S	Bend	trans	-61	-40.8	170.7	-170.1	-174.3	-179.2	-165.2	0	111.1	I186 L191 E282 N284	I186-K274 HydrophobicContact CD1-CB 4.18Å; I186-K274 HydrophobicContact CD1-CD 4.46Å; L191-K274 HydrophobicContact CD2-CB 4.48Å; K274-E282 WeakPolarHBondContact CE-OE2 3.45Å; K274-E282 IonicContact NZ-OE1 3.29Å; K274-E282 IonicContact NZ-OE2 3.7Å; K274-E282 PolarHBondContact NZ-OE2 3.41Å; K274-N284 HydrophobicContact CB-CB 4.4Å; K274-N284 PolarHBondContact N-O 2.86Å; K274-N284 VanDerWaalsContact N-O 3.13Å
275	S	79	Confident	71.4	Confident	22 Å²	22	45.5 Å²	45.5	15%	0.154	24%	0.238	C	C	.	.			trans	-135	136.3	175.3	179.6	0	0	0	0	109.4	C273 N277 S280	C273-S275 VanDerWaalsContact C-N 3.27Å; C273-S275 VanDerWaalsContact CB-O 3.28Å; C273-S275 WeakPolarHBondContact CB-O 3.46Å; C273-S275 PolarHBondContact O-N 2.82Å; S275-N277 VanDerWaalsContact C-N 3.32Å; S275-N277 PolarHBondContact OG-N 2.85Å; S275-N277 VanDerWaalsContact OG-N 3.11Å; S275-S280 VanDerWaalsContact CB-OG 3.26Å; S275-S280 WeakPolarHBondContact CB-OG 3.5Å; S275-S280 PolarHBondContact OG-OG 3.43Å
276	C	79.6	Confident	71.7	Confident	8 Å²	8	40.7 Å²	40.7	5%	0.054	21%	0.213	C	C	.	.			trans	-91.6	1.4	168.9	-49.2	0	0	0	0	112.1	C194 D214	C194-C276 WeakPolarHBondContact CA-SG 3.01Å; C194-C276 HydrophobicContact CB-CB 3.78Å; C194-C276 WeakPolarHBondContact CB-SG 3.36Å; C194-C276 WeakPolarHBondContact SG-CA 3.27Å; C194-C276 WeakPolarHBondContact SG-CB 3.42Å; C194-C276 CovalentContact SG-SG 2.02Å; C194-C276 PolarHBondContact SG-SG 3.32Å; D214-C276 HydrophobicContact CB-CB 3.93Å
277	N	71.3	Confident	71.8	Confident	75 Å²	75	42.2 Å²	42.2	40%	0.401	22%	0.218	S	C	.	.			trans	-89.9	132.9	179	-167.9	12	0	0	0	109.5	S275 I279 S280	S275-N277 VanDerWaalsContact C-N 3.32Å; S275-N277 PolarHBondContact OG-N 2.85Å; S275-N277 VanDerWaalsContact OG-N 3.11Å; N277-I279 VanDerWaalsContact C-N 3.34Å; N277-I279 PolarHBondContact O-N 2.8Å; N277-S280 PolarHBondContact O-OG 3.46Å
278	H	59.1	Low	71.7	Confident	27 Å²	27	45.4 Å²	45.4	13%	0.125	24%	0.24	C	C	.	.	T	Hydrogen-bonded Turn	trans	-62.4	-42.1	179.1	-69.9	-74.3	0	0	0	111.9	L212 S280 P453 D455	L212-H278 PolarHBondContact N-CE1 2.79Å; L212-H278 PolarHBondContact N-NE2 3.18Å; L212-H278 PolarHBondContact O-NE2 2.78Å; H278-S280 PolarHBondContact O-N 2.82Å; H278-S280 VanDerWaalsContact O-N 3.08Å; H278-P453 PolarHBondContact CE1-O 2.94Å; H278-P453 PolarHBondContact ND1-O 2.93Å; H278-P453 VanDerWaalsContact ND1-O 3.1Å; H278-D455 WeakPolarHBondContact CB-OD1 3.3Å; H278-D455 VanDerWaalsContact O-CG 3.25Å
279	I	56.1	Low	71.7	Confident	128 Å²	128	47.2 Å²	47.2	66%	0.656	25%	0.249	S	C	*	.	T	Hydrogen-bonded Turn	trans	-63.1	-23.4	-170.7	-55.3	165.9	0	0	0	113.7	N277 N281 D455	N277-I279 VanDerWaalsContact C-N 3.34Å; N277-I279 PolarHBondContact O-N 2.8Å; I279-N281 PolarHBondContact O-N 3.48Å; I279-D455 VanDerWaalsContact CA-OD2 3.26Å; I279-D455 WeakPolarHBondContact CA-OD2 3.47Å
280	S	50.2	Low	71.8	Confident	33 Å²	33	47.5 Å²	47.5	23%	0.231	26%	0.255	C	S	.	.	S	Bend	trans	-78.1	114.8	174.7	52.5	0	0	0	0	107.8	S275 N277 H278 E282 I283	S275-S280 VanDerWaalsContact CB-OG 3.26Å; S275-S280 WeakPolarHBondContact CB-OG 3.5Å; S275-S280 PolarHBondContact OG-OG 3.43Å; N277-S280 PolarHBondContact O-OG 3.46Å; H278-S280 PolarHBondContact O-N 2.82Å; H278-S280 VanDerWaalsContact O-N 3.08Å; S280-E282 PolarHBondContact O-N 3.32Å; S280-I283 WeakPolarHBondContact O-CG1 3.28Å; S280-I283 PolarHBondContact O-N 3.1Å
281	N	51.2	Low	71.7	Confident	158 Å²	158	48.6 Å²	48.6	85%	0.845	26%	0.261	S	S	*	.	S	Bend	trans	-54	9.5	167.6	-68	-15.5	0	0	0	114.6	I279	I279-N281 PolarHBondContact O-N 3.48Å
282	E	53.8	Low	71.5	Confident	97 Å²	97	49.7 Å²	49.7	45%	0.453	27%	0.265	S	S	.	.			trans	-113.8	43.4	177.6	-55.3	-173	165.6	0	0	110.9	K274 S280 N284	K274-E282 WeakPolarHBondContact CE-OE2 3.45Å; K274-E282 IonicContact NZ-OE1 3.29Å; K274-E282 IonicContact NZ-OE2 3.7Å; K274-E282 PolarHBondContact NZ-OE2 3.41Å; S280-E282 PolarHBondContact O-N 3.32Å; E282-N284 PolarHBondContact O-N 3.03Å
283	I	55	Low	71.2	Confident	58 Å²	58	50.1 Å²	50.1	30%	0.297	27%	0.266	S	S	.	.			trans	-72.2	70.8	170.1	-47.5	179.9	0	0	0	108.8	L212 S280 C285	L212-I283 HydrophobicContact CD2-CG2 4.04Å; S280-I283 WeakPolarHBondContact O-CG1 3.28Å; S280-I283 PolarHBondContact O-N 3.1Å; I283-C285 VanDerWaalsContact C-N 3.28Å; I283-C285 HydrophobicContact CG2-CB 4.47Å; I283-C285 WeakPolarHBondContact CG2-SG 3.17Å; I283-C285 PolarHBondContact O-N 3.15Å; I283-C285 VanDerWaalsContact O-N 3.12Å
284	N	69.8	Low	70.9	Confident	39 Å²	39	50.4 Å²	50.4	21%	0.209	27%	0.268	C	S	.	.			trans	-86.3	78.5	170.8	-71.9	-2.7	0	0	0	107.6	P182 I186 C273 K274 E282	P182-N284 WeakPolarHBondContact CG-OD1 3.39Å; I186-N284 HydrophobicContact CD1-CB 4.29Å; C273-N284 WeakPolarHBondContact CA-O 3.17Å; K274-N284 HydrophobicContact CB-CB 4.4Å; K274-N284 PolarHBondContact N-O 2.86Å; K274-N284 VanDerWaalsContact N-O 3.13Å; E282-N284 PolarHBondContact O-N 3.03Å
285	C	77.4	Confident	70.5	Confident	11 Å²	11	46.9 Å²	46.9	7%	0.074	26%	0.255	C	S	.	.	B	Isolated β-bridge	trans	-89.5	130	170.9	-71	0	0	0	0	110.5	I184 L212 I271 P272 C273 I283 W287	I184-C285 WeakPolarHBondContact CD1-O 3.41Å; L212-C285 VanDerWaalsContact CD2-SG 3.55Å; I271-C285 HydrophobicContact CG2-CB 3.77Å; P272-C285 CarbonylContact O-C 3.42Å; P272-C285 VanDerWaalsContact O-CA 3.28Å; P272-C285 WeakPolarHBondContact O-CA 3.3Å; C273-C285 HydrophobicContact CB-CB 3.96Å; C273-C285 WeakPolarHBondContact CB-SG 3.48Å; C273-C285 VanDerWaalsContact SG-CA 3.57Å; C273-C285 WeakPolarHBondContact SG-CB 3.37Å; C273-C285 CovalentContact SG-SG 2.03Å; C273-C285 PolarHBondContact SG-SG 3.47Å; I283-C285 VanDerWaalsContact C-N 3.28Å; I283-C285 HydrophobicContact CG2-CB 4.47Å; I283-C285 WeakPolarHBondContact CG2-SG 3.17Å; I283-C285 PolarHBondContact O-N 3.15Å; I283-C285 VanDerWaalsContact O-N 3.12Å; C285-W287 PolarHBondContact O-N 2.92Å
286	D	77.2	Confident	69.9	Low	22 Å²	22	48.5 Å²	48.5	12%	0.118	26%	0.262	C	S	.	.			trans	-89.4	82.3	173.4	177.7	14.4	0	0	0	110.8	I184 P272 S288 N289	I184-D286 HydrophobicContact CD1-CB 3.73Å; I184-D286 HydrophobicContact CG2-CB 4.27Å; P272-D286 WeakPolarHBondContact CD-O 3.29Å; P272-D286 HydrophobicContact CG-CB 4.02Å; P272-D286 WeakPolarHBondContact CG-O 3.42Å; P272-D286 PolarHBondContact O-N 2.87Å; D286-S288 PolarHBondContact O-N 2.92Å; D286-S288 WeakPolarHBondContact OD1-CB 3.43Å; D286-S288 PolarHBondContact OD1-N 2.63Å; D286-S288 VanDerWaalsContact OD1-N 3.13Å; D286-S288 PolarHBondContact OD1-OG 2.79Å; D286-N289 PolarHBondContact O-N 3.17Å; D286-N289 VanDerWaalsContact O-N 3.13Å; D286-N289 PolarHBondContact OD2-ND2 3.16Å
287	W	74.4	Confident	69.2	Low	67 Å²	67	48.9 Å²	48.9	25%	0.254	26%	0.263	S	S	.	.	G	3₁₀ helix	trans	-60.4	-22.4	177	-71.1	105.8	0	0	0	114	M196 I271 C285 N289 A290 I511	M196-W287 HydrophobicContact CE-CH2 3.91Å; M196-W287 HydrophobicContact CE-CZ2 4.04Å; M196-W287 HydrophobicContact CG-CH2 4.39Å; I271-W287 HydrophobicContact CD1-CE3 3.92Å; I271-W287 HydrophobicContact CD1-CH2 3.14Å; I271-W287 HydrophobicContact CD1-CZ2 3.86Å; I271-W287 HydrophobicContact CD1-CZ3 3.14Å; I271-W287 HydrophobicContact CG1-CE3 3.76Å; I271-W287 HydrophobicContact CG1-CH2 3.95Å; I271-W287 HydrophobicContact CG1-CZ3 3.43Å; I271-W287 VanDerWaalsContact CG1-CZ3 3.43Å; I271-W287 HydrophobicContact CG2-CD2 4.03Å; I271-W287 HydrophobicContact CG2-CE3 3.99Å; I271-W287 HydrophobicContact CG2-CZ3 4.37Å; C285-W287 PolarHBondContact O-N 2.92Å; W287-N289 PolarHBondContact O-N 3.2Å; W287-A290 HydrophobicContact CE3-CB 3.98Å; W287-A290 WeakPolarHBondContact O-CB 3.49Å; W287-A290 PolarHBondContact O-N 3.13Å; W287-A290 VanDerWaalsContact O-N 3.14Å; W287-I511 HydrophobicContact CD2-CG2 3.21Å; W287-I511 HydrophobicContact CE3-CB 4.45Å; W287-I511 HydrophobicContact CE3-CD1 3.86Å; W287-I511 HydrophobicContact CE3-CG1 4.4Å; W287-I511 HydrophobicContact CE3-CG2 3.42Å; W287-I511 VanDerWaalsContact CE3-CG2 3.42Å; W287-I511 HydrophobicContact CG-CG2 3.77Å; W287-I511 HydrophobicContact CH2-CB 4.17Å; W287-I511 HydrophobicContact CH2-CD1 3.42Å; W287-I511 VanDerWaalsContact CH2-CD1 3.42Å; W287-I511 HydrophobicContact CH2-CG1 3.54Å; W287-I511 HydrophobicContact CH2-CG2 3.53Å; W287-I511 HydrophobicContact CZ2-CB 4.37Å; W287-I511 HydrophobicContact CZ2-CD1 4.41Å; W287-I511 HydrophobicContact CZ2-CG1 4.14Å; W287-I511 HydrophobicContact CZ2-CG2 3.4Å; W287-I511 VanDerWaalsContact CZ2-CG2 3.4Å; W287-I511 HydrophobicContact CZ3-CB 4.24Å; W287-I511 HydrophobicContact CZ3-CD1 3.1Å; W287-I511 HydrophobicContact CZ3-CG1 3.73Å; W287-I511 HydrophobicContact CZ3-CG2 3.56Å
288	S	72.4	Confident	68.7	Low	101 Å²	101	49.4 Å²	49.4	71%	0.706	27%	0.27	S	S	*	.	G	3₁₀ helix	trans	-66.8	-23.5	178.1	80.1	0	0	0	0	112.5	D286	D286-S288 PolarHBondContact O-N 2.92Å; D286-S288 WeakPolarHBondContact OD1-CB 3.43Å; D286-S288 PolarHBondContact OD1-N 2.63Å; D286-S288 VanDerWaalsContact OD1-N 3.13Å; D286-S288 PolarHBondContact OD1-OG 2.79Å
289	N	78.6	Confident	68.8	Low	38 Å²	38	51 Å²	51	20%	0.203	28%	0.279	C	S	.	.	G	3₁₀ helix	trans	-104.5	9	175.4	-74.7	-79.9	0	0	0	112.8	K188 W236 P272 D286 W287	K188-N289 VanDerWaalsContact NZ-CG 3.34Å; K188-N289 PolarHBondContact NZ-ND2 3.07Å; K188-N289 PolarHBondContact NZ-OD1 3.47Å; W236-N289 WeakPolarHBondContact CZ2-O 3.29Å; P272-N289 HydrophobicContact CG-CB 3.91Å; D286-N289 PolarHBondContact O-N 3.17Å; D286-N289 VanDerWaalsContact O-N 3.13Å; D286-N289 PolarHBondContact OD2-ND2 3.16Å; W287-N289 PolarHBondContact O-N 3.2Å
290	A	83.3	Confident	69.1	Low	20 Å²	20	46.3 Å²	46.3	17%	0.165	25%	0.253	C	S	.	.			trans	-63.3	143.1	178	0	0	0	0	0	112.3	W269 F270 I271 W287	W269-A290 HydrophobicContact CE3-CB 4.02Å; W269-A290 HydrophobicContact CZ3-CB 4.29Å; F270-A290 CarbonylContact O-C 3.49Å; F270-A290 VanDerWaalsContact O-CA 3.27Å; F270-A290 WeakPolarHBondContact O-CA 3.49Å; I271-A290 HydrophobicContact CB-CB 4.49Å; I271-A290 HydrophobicContact CG1-CB 3.96Å; I271-A290 HydrophobicContact CG2-CB 4.41Å; W287-A290 HydrophobicContact CE3-CB 3.98Å; W287-A290 WeakPolarHBondContact O-CB 3.49Å; W287-A290 PolarHBondContact O-N 3.13Å; W287-A290 VanDerWaalsContact O-N 3.14Å
291	L	83.2	Confident	69.9	Low	23 Å²	23	46.7 Å²	46.7	12%	0.12	26%	0.255	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.8	128.8	-179.5	-60.8	173.6	0	0	0	110	W236 Q240 I243 W269 F270 L303	W236-L291 HydrophobicContact CH2-CB 4.28Å; W236-L291 HydrophobicContact CH2-CD1 3.68Å; W236-L291 HydrophobicContact CH2-CG 3.72Å; W236-L291 HydrophobicContact CZ2-CD1 3.69Å; W236-L291 HydrophobicContact CZ2-CG 3.73Å; Q240-L291 HydrophobicContact CB-CD1 4.32Å; Q240-L291 HydrophobicContact CG-CD1 4.1Å; I243-L291 HydrophobicContact CG2-CD1 3.69Å; W269-L291 CarbonylContact C-O 3.55Å; W269-L291 WeakPolarHBondContact CA-O 3.31Å; F270-L291 HydrophobicContact CB-CB 4.35Å; F270-L291 PolarHBondContact N-O 2.78Å; F270-L291 PolarHBondContact O-N 2.95Å; L291-L303 HydrophobicContact CB-CD2 3.91Å
292	W	81.2	Confident	71.1	Confident	23 Å²	23	39.3 Å²	39.3	9%	0.087	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92	119.2	170.6	177.9	-106.7	0	0	0	110.2	S267 A268 W269 L303 Y304 F500	S267-W292 VanDerWaalsContact CB-CH2 3.46Å; A268-W292 VanDerWaalsContact C-CE3 3.44Å; A268-W292 VanDerWaalsContact C-CZ3 3.45Å; A268-W292 VanDerWaalsContact O-CE3 3.3Å; W269-W292 HydrophobicContact CB-CE3 4.41Å; W269-W292 AromaticContact CD1-CE3 3.44Å; W269-W292 VanDerWaalsContact CD1-CE3 3.44Å; W269-W292 AromaticContact CD1-CZ3 3.35Å; W269-W292 HydrophobicContact CD2-CB 4.25Å; W269-W292 HydrophobicContact CD2-CD2 4.4Å; W269-W292 AromaticContact CD2-CE3 3.54Å; W269-W292 HydrophobicContact CD2-CE3 3.54Å; W269-W292 HydrophobicContact CD2-CZ3 4.27Å; W269-W292 AromaticContact CE2-CE3 3.37Å; W269-W292 AromaticContact CE2-CZ3 3.98Å; W269-W292 HydrophobicContact CE3-CB 3.88Å; W269-W292 HydrophobicContact CE3-CE3 4.3Å; W269-W292 AromaticContact CG-CE3 3.58Å; W269-W292 HydrophobicContact CG-CE3 3.58Å; W269-W292 AromaticContact CG-CZ3 3.91Å; W269-W292 HydrophobicContact CG-CZ3 3.91Å; W269-W292 HydrophobicContact CH2-CB 3.71Å; W269-W292 HydrophobicContact CH2-CG 4.45Å; W269-W292 HydrophobicContact CZ2-CB 4.06Å; W269-W292 HydrophobicContact CZ2-CD2 4.28Å; W269-W292 HydrophobicContact CZ2-CE3 4.02Å; W269-W292 HydrophobicContact CZ2-CG 4.37Å; W269-W292 HydrophobicContact CZ3-CB 3.61Å; W269-W292 AromaticContact NE1-CE3 3.28Å; W269-W292 VanDerWaalsContact NE1-CE3 3.28Å; W269-W292 AromaticContact NE1-CZ3 3.37Å; W292-L303 WeakPolarHBondContact O-CD2 3.36Å; W292-Y304 PolarHBondContact O-N 3.36Å; W292-F500 AromaticContact CD1-CZ 3.95Å; W292-F500 AromaticContact NE1-CE2 3.61Å; W292-F500 AromaticContact NE1-CZ 3.65Å
293	Y	79.2	Confident	72.3	Confident	8 Å²	8	35.8 Å²	35.8	3%	0.031	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	126.6	175.4	177.4	-102.6	0	0	0	110.2	I243 I264 S267 A268 F270 P295 C302	I243-Y293 HydrophobicContact CD1-CD2 3.95Å; I243-Y293 HydrophobicContact CD1-CG 4.45Å; I264-Y293 HydrophobicContact CB-CD1 4.33Å; I264-Y293 HydrophobicContact CB-CE1 3.73Å; I264-Y293 HydrophobicContact CG2-CD1 4.1Å; I264-Y293 HydrophobicContact CG2-CE1 3.88Å; I264-Y293 WeakPolarHBondContact O-CE1 3.5Å; I264-Y293 PolarHBondContact O-OH 3.44Å; S267-Y293 CarbonylContact C-O 3.52Å; S267-Y293 WeakPolarHBondContact CA-O 3.5Å; A268-Y293 PolarHBondContact N-O 3.41Å; A268-Y293 PolarHBondContact O-N 3.17Å; F270-Y293 VanDerWaalsContact CE2-CB 3.48Å; F270-Y293 HydrophobicContact CE2-CD1 4.27Å; F270-Y293 HydrophobicContact CE2-CD2 4.44Å; F270-Y293 AromaticContact CE2-CG 3.84Å; F270-Y293 HydrophobicContact CE2-CG 3.84Å; Y293-P295 HydrophobicContact CD1-CG 4.35Å; Y293-P295 HydrophobicContact CE1-CB 3.9Å; Y293-P295 HydrophobicContact CE1-CG 3.62Å; Y293-C302 CarbonylContact C-O 3.6Å; Y293-C302 VanDerWaalsContact CA-O 3.27Å; Y293-C302 WeakPolarHBondContact CA-O 3.39Å; Y293-C302 WeakPolarHBondContact CD2-O 3.46Å
294	E	76.4	Confident	73	Confident	6 Å²	6	35.9 Å²	35.9	3%	0.028	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-140	94.8	176.7	171.3	58	-96.9	0	0	109.2	S267 N296 N297 C302 F500	S267-E294 WeakPolarHBondContact CB-OE2 3.1Å; S267-E294 VanDerWaalsContact OG-CD 3.26Å; S267-E294 PolarHBondContact OG-OE2 3.42Å; E294-N296 VanDerWaalsContact C-N 3.32Å; E294-N296 PolarHBondContact O-N 2.91Å; E294-N296 PolarHBondContact OE1-N 3.19Å; E294-N297 HydrophobicContact CB-CB 4.46Å; E294-N297 HydrophobicContact CG-CB 3.39Å; E294-C302 PolarHBondContact N-O 2.65Å; E294-C302 WeakPolarHBondContact O-CA 3.43Å; E294-C302 PolarHBondContact O-N 2.94Å; E294-F500 HydrophobicContact CB-CE2 4.04Å; E294-F500 HydrophobicContact CB-CZ 4.14Å; E294-F500 HydrophobicContact CG-CE2 3.77Å; E294-F500 HydrophobicContact CG-CZ 4.2Å
295	P	71.3	Confident	72.9	Confident	21 Å²	21	37 Å²	37	14%	0.136	20%	0.203	C	C	.	.	T	Hydrogen-bonded Turn	trans	-73.5	-22.8	-174.8	27.2	-31.8	0	0	0	113.6	H266 Y293	H266-P295 WeakPolarHBondContact O-CD 3.45Å; Y293-P295 HydrophobicContact CD1-CG 4.35Å; Y293-P295 HydrophobicContact CE1-CB 3.9Å; Y293-P295 HydrophobicContact CE1-CG 3.62Å
296	N	68.4	Low	72.2	Confident	56 Å²	56	44.4 Å²	44.4	30%	0.299	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-101.3	4.4	-170.8	-55.1	-57.3	0	0	0	113.3	I265 E294 P298	I265-N296 PolarHBondContact O-ND2 2.9Å; E294-N296 VanDerWaalsContact C-N 3.32Å; E294-N296 PolarHBondContact O-N 2.91Å; E294-N296 PolarHBondContact OE1-N 3.19Å; N296-P298 WeakPolarHBondContact O-CD 3.02Å
297	N	64.6	Low	71.5	Confident	16 Å²	16	51.1 Å²	51.1	9%	0.086	26%	0.262	C	S	.	.			trans	-74.5	124.9	180	-174.5	-46.1	0	0	0	110.6	E294 I299 Y300 P301 F500	E294-N297 HydrophobicContact CB-CB 4.46Å; E294-N297 HydrophobicContact CG-CB 3.39Å; N297-I299 WeakPolarHBondContact OD1-CA 3.19Å; N297-I299 WeakPolarHBondContact OD1-CB 3.45Å; N297-I299 PolarHBondContact OD1-N 3.04Å; N297-Y300 WeakPolarHBondContact CB-O 3.36Å; N297-Y300 PolarHBondContact OD1-N 3.41Å; N297-P301 VanDerWaalsContact O-CA 3.29Å; N297-P301 WeakPolarHBondContact O-CA 3.27Å; N297-P301 WeakPolarHBondContact O-CB 3.3Å; N297-P301 WeakPolarHBondContact O-CD 3.3Å; N297-F500 WeakPolarHBondContact ND2-CD1 3.32Å; N297-F500 VanDerWaalsContact ND2-CD2 3.28Å; N297-F500 WeakPolarHBondContact ND2-CD2 3.1Å; N297-F500 WeakPolarHBondContact ND2-CE2 3.46Å; N297-F500 VanDerWaalsContact ND2-CG 3.35Å; N297-F500 WeakPolarHBondContact ND2-CG 3.32Å; N297-F500 WeakPolarHBondContact ND2-CZ 3.39Å
298	P	60.6	Low	71	Confident	85 Å²	85	53.9 Å²	53.9	55%	0.552	27%	0.272	S	S	*	.	S	Bend	trans	-75.1	-21.7	-177.6	26.8	-32.3	0	0	0	114	N296	N296-P298 WeakPolarHBondContact O-CD 3.02Å
299	I	60.4	Low	70.4	Confident	61 Å²	61	50.1 Å²	50.1	31%	0.313	24%	0.244	S	C	.	.	S	Bend	trans	-93.7	-44.6	-179.3	-52.4	177	0	0	0	110.4	N297 L497	N297-I299 WeakPolarHBondContact OD1-CA 3.19Å; N297-I299 WeakPolarHBondContact OD1-CB 3.45Å; N297-I299 PolarHBondContact OD1-N 3.04Å; I299-L497 HydrophobicContact CD1-CD1 3.72Å; I299-L497 HydrophobicContact CG2-CD1 3.86Å
300	Y	63	Low	69.6	Low	29 Å²	29	54.8 Å²	54.8	11%	0.114	27%	0.265	C	S	.	.	S	Bend	trans	-129.9	71.3	-178.2	-62.3	-54.7	0	0	0	111.1	N297 R308 D312 L497	N297-Y300 WeakPolarHBondContact CB-O 3.36Å; N297-Y300 PolarHBondContact OD1-N 3.41Å; Y300-R308 HydrophobicContact CD1-CB 4.4Å; Y300-R308 HydrophobicContact CE1-CB 3.82Å; Y300-R308 HydrophobicContact CE1-CG 4.35Å; Y300-D312 VanDerWaalsContact CE2-OD2 3.27Å; Y300-D312 WeakPolarHBondContact CE2-OD2 3.28Å; Y300-D312 PolarHBondContact OH-OD1 3.14Å; Y300-D312 PolarHBondContact OH-OD2 3.48Å; Y300-L497 HydrophobicContact CE2-CD1 3.88Å
301	P	67.1	Low	68.5	Low	42 Å²	42	59.1 Å²	59.1	27%	0.273	29%	0.285	S	S	.	.			trans	-64	146.5	178.7	26.6	-33.6	0	0	0	110.3	C251 N297 L303	C251-P301 HydrophobicContact CB-CB 4.17Å; N297-P301 VanDerWaalsContact O-CA 3.29Å; N297-P301 WeakPolarHBondContact O-CA 3.27Å; N297-P301 WeakPolarHBondContact O-CB 3.3Å; N297-P301 WeakPolarHBondContact O-CD 3.3Å; P301-L303 PolarHBondContact O-N 2.88Å
302	C	76.8	Confident	67.7	Low	2 Å²	2	58 Å²	58	1%	0.014	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	80.5	-92.8	170.4	-151	0	0	0	0	114.4	C247 C251 Y293 E294	C247-C302 WeakPolarHBondContact CA-SG 3.44Å; C247-C302 HydrophobicContact CB-CB 3.46Å; C247-C302 VanDerWaalsContact CB-CB 3.46Å; C247-C302 WeakPolarHBondContact CB-SG 3.26Å; C247-C302 WeakPolarHBondContact SG-CB 3.45Å; C247-C302 CovalentContact SG-SG 2.01Å; C247-C302 PolarHBondContact SG-SG 3.15Å; C251-C302 HydrophobicContact CB-CB 4.28Å; Y293-C302 CarbonylContact C-O 3.6Å; Y293-C302 VanDerWaalsContact CA-O 3.27Å; Y293-C302 WeakPolarHBondContact CA-O 3.39Å; Y293-C302 WeakPolarHBondContact CD2-O 3.46Å; E294-C302 PolarHBondContact N-O 2.65Å; E294-C302 WeakPolarHBondContact O-CA 3.43Å; E294-C302 PolarHBondContact O-N 2.94Å
303	L	77.5	Confident	67.1	Low	24 Å²	24	60.8 Å²	60.8	13%	0.126	29%	0.292	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	141.9	-176.9	-81.2	171	0	0	0	113.2	I243 E244 C247 L291 W292 P301 N305	I243-L303 HydrophobicContact CB-CD1 4.36Å; I243-L303 HydrophobicContact CD1-CD2 4.08Å; I243-L303 HydrophobicContact CG1-CD1 4.02Å; I243-L303 HydrophobicContact CG1-CD2 4.28Å; I243-L303 HydrophobicContact CG1-CG 4.21Å; I243-L303 HydrophobicContact CG2-CD1 3.94Å; E244-L303 HydrophobicContact CG-CD1 4.02Å; C247-L303 HydrophobicContact CB-CB 4.13Å; C247-L303 HydrophobicContact CB-CD1 4.02Å; C247-L303 HydrophobicContact CB-CG 4.1Å; C247-L303 WeakPolarHBondContact SG-CG 3.44Å; L291-L303 HydrophobicContact CB-CD2 3.91Å; W292-L303 WeakPolarHBondContact O-CD2 3.36Å; P301-L303 PolarHBondContact O-N 2.88Å; L303-N305 PolarHBondContact O-N 3.34Å
304	Y	71.1	Confident	66.7	Low	60 Å²	60	66.6 Å²	66.6	24%	0.235	32%	0.323	C	S	.	.			trans	-64.7	116.7	167.1	180	-114.9	0	0	0	111.6	W292 I309 R343 F500	W292-Y304 PolarHBondContact O-N 3.36Å; Y304-I309 HydrophobicContact CD1-CD1 4.37Å; Y304-I309 HydrophobicContact CD2-CD1 3.69Å; Y304-I309 HydrophobicContact CD2-CG1 4.34Å; Y304-I309 HydrophobicContact CE1-CD1 3.77Å; Y304-I309 HydrophobicContact CE2-CD1 2.99Å; Y304-I309 HydrophobicContact CE2-CG1 3.43Å; Y304-I309 VanDerWaalsContact CE2-CG1 3.43Å; Y304-I309 HydrophobicContact CG-CD1 4.37Å; Y304-I309 VanDerWaalsContact OH-CD1 3.27Å; Y304-I309 WeakPolarHBondContact OH-CD1 3.27Å; Y304-R343 PolarHBondContact OH-NH2 3.13Å; Y304-F500 HydrophobicContact CD2-CE1 4.49Å
305	N	67.6	Low	66.5	Low	61 Å²	61	71 Å²	71	33%	0.326	35%	0.346	S	S	.	.			trans	-111.2	103.9	-177.6	-177.5	-36.2	0	0	0	111.7	L303 K307 R308 I309	L303-N305 PolarHBondContact O-N 3.34Å; N305-K307 PolarHBondContact O-N 3.3Å; N305-K307 WeakPolarHBondContact OD1-CB 3Å; N305-K307 PolarHBondContact OD1-N 3.19Å; N305-R308 HydrophobicContact CB-CB 4.34Å; N305-R308 HydrophobicContact CB-CG 4.3Å; N305-R308 WeakPolarHBondContact O-CB 3.13Å; N305-R308 PolarHBondContact O-N 3.22Å; N305-R308 PolarHBondContact OD1-N 2.95Å; N305-I309 WeakPolarHBondContact O-CD1 3.27Å; N305-I309 PolarHBondContact O-N 3.05Å
306	K	62.5	Low	66.7	Low	167 Å²	167	70.1 Å²	70.1	73%	0.726	34%	0.34	S	S	*	.	H	α-helix	trans	-45.9	-38.1	179.9	-167.5	176.2	-177.9	176.9	0	114.7	I309	K306-I309 PolarHBondContact O-N 3.45Å
307	K	62.4	Low	67	Low	164 Å²	164	69.3 Å²	69.3	71%	0.713	34%	0.337	S	S	*	.	H	α-helix	trans	-69.8	-39.6	179.9	-70.3	-177.7	179.1	176.1	0	111.7	N305 I309 Q310	N305-K307 PolarHBondContact O-N 3.3Å; N305-K307 WeakPolarHBondContact OD1-CB 3Å; N305-K307 PolarHBondContact OD1-N 3.19Å; K307-I309 VanDerWaalsContact C-N 3.27Å; K307-I309 PolarHBondContact O-N 2.94Å; K307-Q310 WeakPolarHBondContact O-CB 3.42Å; K307-Q310 PolarHBondContact O-N 2.81Å; K307-Q310 VanDerWaalsContact O-N 3.14Å
308	R	63.3	Low	67.7	Low	124 Å²	124	71.6 Å²	71.6	47%	0.468	36%	0.358	S	S	.	.	H	α-helix	trans	-61.6	-34.5	175.5	-74.7	-176.1	176.2	179.2	0.6	111.9	Y300 N305 Q310 N311 D312	Y300-R308 HydrophobicContact CD1-CB 4.4Å; Y300-R308 HydrophobicContact CE1-CB 3.82Å; Y300-R308 HydrophobicContact CE1-CG 4.35Å; N305-R308 HydrophobicContact CB-CB 4.34Å; N305-R308 HydrophobicContact CB-CG 4.3Å; N305-R308 WeakPolarHBondContact O-CB 3.13Å; N305-R308 PolarHBondContact O-N 3.22Å; N305-R308 PolarHBondContact OD1-N 2.95Å; R308-Q310 VanDerWaalsContact C-N 3.28Å; R308-Q310 PolarHBondContact O-N 3.48Å; R308-N311 VanDerWaalsContact O-CB 3.29Å; R308-N311 WeakPolarHBondContact O-CB 3.25Å; R308-N311 PolarHBondContact O-N 2.85Å; R308-D312 PolarHBondContact O-N 3.46Å
309	I	60	Low	68.5	Low	23 Å²	23	69.9 Å²	69.9	12%	0.118	34%	0.341	C	S	.	.	H	α-helix	trans	-65.8	-26.6	176	-62.2	109.7	0	0	0	113.8	Y304 N305 K306 K307 N311 D312 K313 M501	Y304-I309 HydrophobicContact CD1-CD1 4.37Å; Y304-I309 HydrophobicContact CD2-CD1 3.69Å; Y304-I309 HydrophobicContact CD2-CG1 4.34Å; Y304-I309 HydrophobicContact CE1-CD1 3.77Å; Y304-I309 HydrophobicContact CE2-CD1 2.99Å; Y304-I309 HydrophobicContact CE2-CG1 3.43Å; Y304-I309 VanDerWaalsContact CE2-CG1 3.43Å; Y304-I309 HydrophobicContact CG-CD1 4.37Å; Y304-I309 VanDerWaalsContact OH-CD1 3.27Å; Y304-I309 WeakPolarHBondContact OH-CD1 3.27Å; N305-I309 WeakPolarHBondContact O-CD1 3.27Å; N305-I309 PolarHBondContact O-N 3.05Å; K306-I309 PolarHBondContact O-N 3.45Å; K307-I309 VanDerWaalsContact C-N 3.27Å; K307-I309 PolarHBondContact O-N 2.94Å; I309-N311 PolarHBondContact O-N 3.31Å; I309-D312 WeakPolarHBondContact CA-OD2 3.31Å; I309-D312 HydrophobicContact CG2-CB 4.41Å; I309-D312 WeakPolarHBondContact O-CA 3.42Å; I309-D312 VanDerWaalsContact O-CB 3.28Å; I309-D312 WeakPolarHBondContact O-CB 3.28Å; I309-D312 PolarHBondContact O-N 2.9Å; I309-K313 PolarHBondContact O-N 3.27Å; I309-M501 HydrophobicContact CG2-CE 3.45Å; I309-M501 VanDerWaalsContact CG2-CE 3.45Å
310	Q	61.1	Low	69.5	Low	135 Å²	135	67 Å²	67	63%	0.631	33%	0.326	S	S	*	.	H	α-helix	trans	-61.4	-35.4	173.6	-69.3	-179.2	-19.5	0	0	110.8	K307 R308 D312 K313	K307-Q310 WeakPolarHBondContact O-CB 3.42Å; K307-Q310 PolarHBondContact O-N 2.81Å; K307-Q310 VanDerWaalsContact O-N 3.14Å; R308-Q310 VanDerWaalsContact C-N 3.28Å; R308-Q310 PolarHBondContact O-N 3.48Å; Q310-D312 VanDerWaalsContact C-N 3.33Å; Q310-K313 PolarHBondContact O-N 3.16Å
311	N	61.9	Low	70.2	Confident	111 Å²	111	74.6 Å²	74.6	59%	0.594	36%	0.355	S	S	*	.	H	α-helix	trans	-68.5	-32.1	172.1	-59.8	-19	0	0	0	111.6	R308 I309 K313 I314	R308-N311 VanDerWaalsContact O-CB 3.29Å; R308-N311 WeakPolarHBondContact O-CB 3.25Å; R308-N311 PolarHBondContact O-N 2.85Å; I309-N311 PolarHBondContact O-N 3.31Å; N311-K313 VanDerWaalsContact C-N 3.25Å; N311-K313 PolarHBondContact O-N 3.14Å; N311-I314 PolarHBondContact O-N 3.08Å
312	D	65.1	Low	70.7	Confident	0 Å²	0	76 Å²	76	0%	0	37%	0.366	C	S	.	.	H	α-helix	trans	-61.9	-27.2	176.1	-70.4	-30.8	0	0	0	113.7	Y300 R308 I309 Q310 I314 L315 I316 L497 M501	Y300-D312 VanDerWaalsContact CE2-OD2 3.27Å; Y300-D312 WeakPolarHBondContact CE2-OD2 3.28Å; Y300-D312 PolarHBondContact OH-OD1 3.14Å; Y300-D312 PolarHBondContact OH-OD2 3.48Å; R308-D312 PolarHBondContact O-N 3.46Å; I309-D312 WeakPolarHBondContact CA-OD2 3.31Å; I309-D312 HydrophobicContact CG2-CB 4.41Å; I309-D312 WeakPolarHBondContact O-CA 3.42Å; I309-D312 VanDerWaalsContact O-CB 3.28Å; I309-D312 WeakPolarHBondContact O-CB 3.28Å; I309-D312 PolarHBondContact O-N 2.9Å; Q310-D312 VanDerWaalsContact C-N 3.33Å; D312-I314 PolarHBondContact O-N 2.81Å; D312-I314 VanDerWaalsContact O-N 3.15Å; D312-L315 CarbonylContact O-C 3.52Å; D312-L315 PolarHBondContact O-N 2.69Å; D312-I316 HydrophobicContact CB-CD1 4.2Å; D312-I316 HydrophobicContact CB-CG1 4.38Å; D312-I316 WeakPolarHBondContact O-CB 3.37Å; D312-I316 VanDerWaalsContact O-CG1 3.22Å; D312-I316 WeakPolarHBondContact O-CG1 3.12Å; D312-I316 PolarHBondContact O-N 3.07Å; D312-L497 HydrophobicContact CB-CD2 4.08Å; D312-M501 HydrophobicContact CB-CE 3.8Å; D312-M501 HydrophobicContact CB-SD 3.63Å
313	K	69.4	Low	71.1	Confident	82 Å²	82	78.9 Å²	78.9	36%	0.357	38%	0.376	S	S	.	.	H	α-helix	trans	-51.9	-43.3	177.6	-179.2	-176.1	171.3	173.6	0	111	I309 Q310 N311 T317 I344	I309-K313 PolarHBondContact O-N 3.27Å; Q310-K313 PolarHBondContact O-N 3.16Å; N311-K313 VanDerWaalsContact C-N 3.25Å; N311-K313 PolarHBondContact O-N 3.14Å; K313-T317 VanDerWaalsContact O-CB 3.28Å; K313-T317 WeakPolarHBondContact O-CB 3.3Å; K313-T317 PolarHBondContact O-N 2.76Å; K313-T317 PolarHBondContact O-OG1 3.2Å; K313-I344 WeakPolarHBondContact CE-O 3.49Å; K313-I344 PolarHBondContact NZ-O 2.7Å
314	I	71	Confident	71.6	Confident	130 Å²	130	77.8 Å²	77.8	67%	0.667	37%	0.37	S	S	*	.	H	α-helix	trans	-67.9	-47.1	179.7	-63.5	170.5	0	0	0	109.8	N311 D312 T317 A318	N311-I314 PolarHBondContact O-N 3.08Å; D312-I314 PolarHBondContact O-N 2.81Å; D312-I314 VanDerWaalsContact O-N 3.15Å; I314-T317 PolarHBondContact O-N 2.85Å; I314-A318 WeakPolarHBondContact O-CB 3.3Å; I314-A318 PolarHBondContact O-N 3.29Å
315	L	72.2	Confident	72.5	Confident	98 Å²	98	75 Å²	75	51%	0.513	36%	0.36	S	S	.	.	H	α-helix	trans	-62.7	-45.5	179.8	-66.7	174.6	0	0	0	112.5	D312 A318 Y319 L497	D312-L315 CarbonylContact O-C 3.52Å; D312-L315 PolarHBondContact O-N 2.69Å; L315-A318 PolarHBondContact O-N 2.93Å; L315-Y319 VanDerWaalsContact O-CB 3.27Å; L315-Y319 WeakPolarHBondContact O-CB 3.21Å; L315-Y319 PolarHBondContact O-N 2.98Å; L315-L497 HydrophobicContact CB-CD2 3.85Å; L315-L497 HydrophobicContact CD1-CD2 4.44Å
316	I	74.8	Confident	73.6	Confident	2 Å²	2	72.1 Å²	72.1	1%	0.01	34%	0.344	C	S	.	.	H	α-helix	trans	-62.4	-46	175.7	-63	164.1	0	0	0	110.3	D312 A318 Y319 L320 L340 I344 L497 I498 M501	D312-I316 HydrophobicContact CB-CD1 4.2Å; D312-I316 HydrophobicContact CB-CG1 4.38Å; D312-I316 WeakPolarHBondContact O-CB 3.37Å; D312-I316 VanDerWaalsContact O-CG1 3.22Å; D312-I316 WeakPolarHBondContact O-CG1 3.12Å; D312-I316 PolarHBondContact O-N 3.07Å; I316-A318 VanDerWaalsContact C-N 3.31Å; I316-A318 PolarHBondContact O-N 3.14Å; I316-Y319 PolarHBondContact O-N 3.1Å; I316-L320 HydrophobicContact CG2-CD1 3.56Å; I316-L320 HydrophobicContact CG2-CG 4.04Å; I316-L320 WeakPolarHBondContact O-CB 3.39Å; I316-L320 WeakPolarHBondContact O-CG 3.19Å; I316-L320 PolarHBondContact O-N 3.13Å; I316-L340 HydrophobicContact CG2-CD1 4.14Å; I316-I344 HydrophobicContact CG2-CD1 3.55Å; I316-I344 HydrophobicContact CG2-CG1 3.99Å; I316-L497 HydrophobicContact CG1-CD2 3.93Å; I316-I498 HydrophobicContact CG2-CD1 4.35Å; I316-I498 HydrophobicContact CG2-CG1 4.28Å; I316-M501 HydrophobicContact CD1-CE 3.13Å; I316-M501 HydrophobicContact CD1-SD 3.24Å; I316-M501 WeakPolarHBondContact CD1-SD 3.2Å; I316-M501 HydrophobicContact CG1-CE 4.23Å; I316-M501 HydrophobicContact CG1-SD 3.69Å
317	T	75.8	Confident	74.9	Confident	39 Å²	39	64.1 Å²	64.1	24%	0.239	31%	0.31	C	S	.	.	H	α-helix	trans	-63.3	-41.9	-179	-55.8	0	0	0	0	110.4	K313 I314 L320 R321 T365	K313-T317 VanDerWaalsContact O-CB 3.28Å; K313-T317 WeakPolarHBondContact O-CB 3.3Å; K313-T317 PolarHBondContact O-N 2.76Å; K313-T317 PolarHBondContact O-OG1 3.2Å; I314-T317 PolarHBondContact O-N 2.85Å; T317-L320 PolarHBondContact O-N 3.28Å; T317-R321 PolarHBondContact O-N 2.8Å; T317-R321 VanDerWaalsContact O-N 3.12Å; T317-T365 HydrophobicContact CG2-CG2 4.22Å
318	A	78	Confident	76.3	Confident	65 Å²	65	56.3 Å²	56.3	54%	0.537	28%	0.276	S	S	.	.	H	α-helix	trans	-64.3	-43.1	174.4	0	0	0	0	0	112	I314 L315 I316 R321	I314-A318 WeakPolarHBondContact O-CB 3.3Å; I314-A318 PolarHBondContact O-N 3.29Å; L315-A318 PolarHBondContact O-N 2.93Å; I316-A318 VanDerWaalsContact C-N 3.31Å; I316-A318 PolarHBondContact O-N 3.14Å; A318-R321 VanDerWaalsContact O-CB 3.24Å; A318-R321 WeakPolarHBondContact O-CB 3.2Å; A318-R321 PolarHBondContact O-N 3.14Å
319	Y	78	Confident	77.5	Confident	48 Å²	48	50.4 Å²	50.4	19%	0.188	25%	0.253	C	S	.	.	H	α-helix	trans	-65.4	-40.2	177.5	-177.5	-85.4	0	0	0	111.8	L315 I316 R321 R323 L409 K440 D496 I498	L315-Y319 VanDerWaalsContact O-CB 3.27Å; L315-Y319 WeakPolarHBondContact O-CB 3.21Å; L315-Y319 PolarHBondContact O-N 2.98Å; I316-Y319 PolarHBondContact O-N 3.1Å; Y319-R321 PolarHBondContact O-N 2.8Å; Y319-R323 VanDerWaalsContact O-CD 3.23Å; Y319-R323 WeakPolarHBondContact O-CD 3.47Å; Y319-R323 PolarHBondContact O-NH1 2.82Å; Y319-L409 HydrophobicContact CE1-CD1 3.79Å; Y319-K440 PolarHBondContact OH-NZ 2.87Å; Y319-D496 PolarHBondContact OH-OD1 3.1Å; Y319-I498 HydrophobicContact CD1-CD1 3.34Å; Y319-I498 HydrophobicContact CD1-CG1 4.23Å; Y319-I498 HydrophobicContact CE1-CD1 3.62Å; Y319-I498 HydrophobicContact CE1-CG1 4.47Å; Y319-I498 HydrophobicContact CG-CD1 4.38Å
320	L	80.6	Confident	78.4	Confident	1 Å²	1	49.6 Å²	49.6	1%	0.005	25%	0.249	C	C	.	.	H	α-helix	trans	-78	-11.3	-179.9	-71	179.8	0	0	0	113.6	I316 T317 S322 R323 L325 L340 I344 I366 L409 I498	I316-L320 HydrophobicContact CG2-CD1 3.56Å; I316-L320 HydrophobicContact CG2-CG 4.04Å; I316-L320 WeakPolarHBondContact O-CB 3.39Å; I316-L320 WeakPolarHBondContact O-CG 3.19Å; I316-L320 PolarHBondContact O-N 3.13Å; T317-L320 PolarHBondContact O-N 3.28Å; L320-S322 PolarHBondContact O-N 3.29Å; L320-R323 PolarHBondContact O-N 3.48Å; L320-L325 HydrophobicContact CD1-CD1 4.15Å; L320-L325 HydrophobicContact CD2-CD1 4.19Å; L320-L325 HydrophobicContact CD2-CD2 3.57Å; L320-L325 HydrophobicContact CD2-CG 4.1Å; L320-L340 HydrophobicContact CD1-CD1 4.47Å; L320-L340 HydrophobicContact CD1-CD2 4.33Å; L320-I344 HydrophobicContact CD1-CD1 3.5Å; L320-I344 VanDerWaalsContact CD1-CD1 3.5Å; L320-I366 HydrophobicContact CB-CG1 4.4Å; L320-I366 HydrophobicContact CD1-CD1 3.9Å; L320-I366 HydrophobicContact CD1-CG1 4.3Å; L320-L409 HydrophobicContact CD2-CD1 3.96Å; L320-I498 HydrophobicContact CD1-CD1 4.11Å; L320-I498 HydrophobicContact CD2-CD1 3.3Å; L320-I498 HydrophobicContact CG-CD1 3.62Å
321	R	78	Confident	79	Confident	189 Å²	189	45.8 Å²	45.8	71%	0.713	24%	0.237	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57.2	130.1	175.6	-158.9	172.9	-167	164.1	3.5	109.7	T317 A318 Y319 R323	T317-R321 PolarHBondContact O-N 2.8Å; T317-R321 VanDerWaalsContact O-N 3.12Å; A318-R321 VanDerWaalsContact O-CB 3.24Å; A318-R321 WeakPolarHBondContact O-CB 3.2Å; A318-R321 PolarHBondContact O-N 3.14Å; Y319-R321 PolarHBondContact O-N 2.8Å; R321-R323 PolarHBondContact O-N 3.38Å
322	S	77.9	Confident	79.6	Confident	72 Å²	72	40.8 Å²	40.8	50%	0.503	21%	0.211	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.5	14.2	-178.8	-50.3	0	0	0	0	115.6	L320 N406	L320-S322 PolarHBondContact O-N 3.29Å; S322-N406 PolarHBondContact O-N 3.28Å
323	R	85.5	Confident	80.3	Confident	62 Å²	62	40.9 Å²	40.9	23%	0.234	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-110.5	150.8	173.7	-60.6	-172.9	166.2	69.3	6.8	110.6	Y319 L320 R321 E407	Y319-R323 VanDerWaalsContact O-CD 3.23Å; Y319-R323 WeakPolarHBondContact O-CD 3.47Å; Y319-R323 PolarHBondContact O-NH1 2.82Å; L320-R323 PolarHBondContact O-N 3.48Å; R321-R323 PolarHBondContact O-N 3.38Å; R323-E407 WeakPolarHBondContact CA-O 3.23Å; R323-E407 HydrophobicContact CG-CB 4.27Å; R323-E407 IonicContact CZ-OE2 3.17Å; R323-E407 IonicContact NE-OE2 2.69Å; R323-E407 PolarHBondContact NE-OE2 2.82Å; R323-E407 IonicContact NH2-OE2 2.8Å; R323-E407 PolarHBondContact NH2-OE2 3.05Å
324	V	88.4	Confident	80.8	Confident	0 Å²	0	38.1 Å²	38.1	0%	0	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.4	135.9	170.1	64	0	0	0	0	110.3	L326 T367 F401 F405 E407 A408 L409 F436	V324-L326 HydrophobicContact CG1-CD2 4.39Å; V324-L326 HydrophobicContact CG1-CG 4.37Å; V324-L326 HydrophobicContact CG2-CD2 3.74Å; V324-L326 HydrophobicContact CG2-CG 4.41Å; V324-T367 HydrophobicContact CG2-CG2 3.88Å; V324-F401 HydrophobicContact CG2-CE1 3.73Å; V324-F401 HydrophobicContact CG2-CE2 4.12Å; V324-F401 HydrophobicContact CG2-CZ 3.47Å; V324-F401 VanDerWaalsContact CG2-CZ 3.47Å; V324-F405 HydrophobicContact CB-CB 4.39Å; V324-F405 HydrophobicContact CB-CD1 3.93Å; V324-F405 HydrophobicContact CB-CD2 4.08Å; V324-F405 HydrophobicContact CB-CE1 4.22Å; V324-F405 HydrophobicContact CB-CE2 4.36Å; V324-F405 HydrophobicContact CB-CG 3.86Å; V324-F405 HydrophobicContact CB-CZ 4.44Å; V324-F405 HydrophobicContact CG1-CB 4.21Å; V324-F405 HydrophobicContact CG1-CD2 4.22Å; V324-F405 HydrophobicContact CG1-CG 4.1Å; V324-E407 PolarHBondContact N-O 3.16Å; V324-A408 HydrophobicContact CG1-CB 3.65Å; V324-A408 WeakPolarHBondContact O-CA 3.41Å; V324-L409 PolarHBondContact O-N 3.13Å; V324-F436 HydrophobicContact CG1-CE1 3.79Å; V324-F436 HydrophobicContact CG1-CE2 4.47Å; V324-F436 HydrophobicContact CG1-CZ 3.71Å
325	L	88.4	Confident	81	Confident	2 Å²	2	33.3 Å²	33.3	1%	0.01	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.3	124.1	175.5	-60.7	-178.2	0	0	0	109.8	L320 F327 L340 I366 T367 T368 R369 L409 F411	L320-L325 HydrophobicContact CD1-CD1 4.15Å; L320-L325 HydrophobicContact CD2-CD1 4.19Å; L320-L325 HydrophobicContact CD2-CD2 3.57Å; L320-L325 HydrophobicContact CD2-CG 4.1Å; L325-F327 HydrophobicContact CB-CD2 4.44Å; L325-F327 HydrophobicContact CB-CE2 3.74Å; L325-F327 HydrophobicContact CB-CZ 4.49Å; L325-F327 HydrophobicContact CD1-CE2 4.39Å; L325-L340 HydrophobicContact CD1-CD2 3.43Å; L325-L340 VanDerWaalsContact CD1-CD2 3.43Å; L325-L340 HydrophobicContact CD1-CG 4.44Å; L325-I366 HydrophobicContact CD1-CG2 3.79Å; L325-I366 HydrophobicContact CG-CG2 4.25Å; L325-T367 PolarHBondContact N-O 2.99Å; L325-T368 CarbonylContact O-C 3.55Å; L325-T368 WeakPolarHBondContact O-CA 3.4Å; L325-T368 PolarHBondContact O-OG1 2.73Å; L325-R369 PolarHBondContact O-N 2.76Å; L325-L409 HydrophobicContact CD2-CB 3.84Å; L325-L409 HydrophobicContact CD2-CD1 3.69Å; L325-L409 HydrophobicContact CD2-CG 4.14Å; L325-F411 HydrophobicContact CD2-CE2 4.07Å
326	L	91.5	Very high	81.2	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	16%	0.155	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.6	123.3	-178.9	-55.5	-178.6	0	0	0	108.4	V324 R369 L398 F399 F401 A408 L409 L410 F411 F436	V324-L326 HydrophobicContact CG1-CD2 4.39Å; V324-L326 HydrophobicContact CG1-CG 4.37Å; V324-L326 HydrophobicContact CG2-CD2 3.74Å; V324-L326 HydrophobicContact CG2-CG 4.41Å; L326-R369 CarbonylContact C-O 3.46Å; L326-R369 WeakPolarHBondContact CA-O 3.49Å; L326-R369 HydrophobicContact CD2-CB 4.14Å; L326-L398 HydrophobicContact CB-CD1 4.33Å; L326-L398 HydrophobicContact CB-CD2 3.96Å; L326-L398 HydrophobicContact CB-CG 4.03Å; L326-L398 HydrophobicContact CD1-CG 4.49Å; L326-L398 HydrophobicContact CD2-CD1 4.24Å; L326-L398 HydrophobicContact CD2-CG 4.18Å; L326-L398 HydrophobicContact CG-CG 4.47Å; L326-F399 HydrophobicContact CD1-CD1 4.12Å; L326-F399 HydrophobicContact CD1-CD2 3.87Å; L326-F399 HydrophobicContact CD1-CE1 3.8Å; L326-F399 HydrophobicContact CD1-CE2 3.57Å; L326-F399 HydrophobicContact CD1-CG 4.13Å; L326-F399 HydrophobicContact CD1-CZ 3.51Å; L326-F401 HydrophobicContact CD1-CE2 4.5Å; L326-F401 HydrophobicContact CD2-CE2 3.56Å; L326-F401 HydrophobicContact CD2-CZ 3.36Å; L326-A408 HydrophobicContact CD1-CB 3.96Å; L326-L409 PolarHBondContact N-O 2.88Å; L326-L410 HydrophobicContact CB-CD1 3.77Å; L326-L410 CarbonylContact O-C 3.47Å; L326-L410 WeakPolarHBondContact O-CA 3.42Å; L326-F411 PolarHBondContact O-N 3.33Å; L326-F436 HydrophobicContact CD1-CE2 4.46Å
327	F	90.6	Very high	81.5	Confident	0 Å²	0	28.8 Å²	28.8	0%	0	15%	0.154	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.9	126	178.8	-63.6	-94.8	0	0	0	109.4	L325 L333 L336 M337 T368 R369 F370 T371 F411	L325-F327 HydrophobicContact CB-CD2 4.44Å; L325-F327 HydrophobicContact CB-CE2 3.74Å; L325-F327 HydrophobicContact CB-CZ 4.49Å; L325-F327 HydrophobicContact CD1-CE2 4.39Å; F327-L333 HydrophobicContact CD1-CB 4.36Å; F327-L336 HydrophobicContact CE1-CD2 4.2Å; F327-L336 HydrophobicContact CE1-CG 4.34Å; F327-M337 HydrophobicContact CD1-CB 4.25Å; F327-M337 HydrophobicContact CD2-CB 3.78Å; F327-M337 HydrophobicContact CD2-CG 3.79Å; F327-M337 HydrophobicContact CD2-SD 4.08Å; F327-M337 HydrophobicContact CE1-CB 4.18Å; F327-M337 HydrophobicContact CE2-CB 3.67Å; F327-M337 HydrophobicContact CE2-CG 3.62Å; F327-M337 HydrophobicContact CE2-SD 4.44Å; F327-M337 HydrophobicContact CG-CB 4.08Å; F327-M337 HydrophobicContact CZ-CB 3.9Å; F327-M337 HydrophobicContact CZ-CG 4.27Å; F327-T368 WeakPolarHBondContact CD2-OG1 3.47Å; F327-T368 WeakPolarHBondContact CE2-OG1 3.1Å; F327-R369 PolarHBondContact N-O 3.16Å; F327-F370 HydrophobicContact CB-CB 4.21Å; F327-F370 HydrophobicContact CB-CD2 3.69Å; F327-F370 HydrophobicContact CB-CG 4.44Å; F327-F370 CarbonylContact O-C 3.59Å; F327-F370 VanDerWaalsContact O-CA 3.29Å; F327-F370 WeakPolarHBondContact O-CA 3.33Å; F327-T371 PolarHBondContact O-N 2.56Å; F327-F411 CarbonylContact C-O 3.21Å; F327-F411 WeakPolarHBondContact CA-O 3Å; F327-F411 HydrophobicContact CD1-CB 3.56Å; F327-F411 HydrophobicContact CD1-CD2 4.05Å; F327-F411 AromaticContact CD1-CG 3.92Å; F327-F411 HydrophobicContact CD1-CG 3.92Å; F327-F411 HydrophobicContact CE1-CB 3.87Å; F327-F411 HydrophobicContact CE1-CD1 4.33Å; F327-F411 AromaticContact CE1-CD2 3.67Å; F327-F411 HydrophobicContact CE1-CD2 3.67Å; F327-F411 HydrophobicContact CE1-CE2 4.34Å; F327-F411 AromaticContact CE1-CG 3.68Å; F327-F411 HydrophobicContact CE1-CG 3.68Å; F327-F411 HydrophobicContact CE2-CD2 4.44Å; F327-F411 HydrophobicContact CG-CB 4.31Å; F327-F411 AromaticContact CZ-CD2 3.89Å; F327-F411 HydrophobicContact CZ-CD2 3.89Å; F327-F411 HydrophobicContact CZ-CE2 4.23Å; F327-F411 HydrophobicContact CZ-CG 4.36Å
328	L	91	Very high	81.6	Confident	0 Å²	0	27.6 Å²	27.6	0%	0	15%	0.146	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-127.3	103.6	176.2	178.3	59.1	0	0	0	109.5	L333 T371 F373 F391 L394 L395 L398 F411 V412 G413	L328-L333 WeakPolarHBondContact O-CD1 3.21Å; L328-T371 WeakPolarHBondContact CA-O 3.29Å; L328-T371 HydrophobicContact CD1-CG2 3.77Å; L328-F373 HydrophobicContact CD1-CB 3.87Å; L328-F391 HydrophobicContact CD2-CD2 4.34Å; L328-F391 HydrophobicContact CD2-CE2 3.59Å; L328-F391 HydrophobicContact CD2-CZ 3.92Å; L328-F391 HydrophobicContact CG-CE2 4.39Å; L328-L394 HydrophobicContact CD1-CB 4.49Å; L328-L395 HydrophobicContact CD2-CD1 4.12Å; L328-L398 HydrophobicContact CB-CD2 3.95Å; L328-F411 PolarHBondContact N-O 2.75Å; L328-V412 HydrophobicContact CB-CG2 4.13Å; L328-V412 WeakPolarHBondContact O-CA 2.96Å; L328-G413 PolarHBondContact O-N 3.14Å; L328-G413 VanDerWaalsContact O-N 3.15Å
329	G	87.8	Confident	81.4	Confident	0 Å²	0	25.3 Å²	25.3	0%	0	13%	0.126	C	C	.	.	E	Extended strand (participates in β ladder)	trans	167.8	-162.3	-177.7	0	0	0	0	0	114.8	F370 T371 Y372 F373 G413	G329-F370 WeakPolarHBondContact O-CE2 3.48Å; G329-F370 VanDerWaalsContact O-CZ 3.23Å; G329-F370 WeakPolarHBondContact O-CZ 3.46Å; G329-T371 PolarHBondContact N-O 3.13Å; G329-Y372 CarbonylContact O-C 3.41Å; G329-Y372 WeakPolarHBondContact O-CA 3.14Å; G329-F373 CarbonylContact C-O 3.55Å; G329-F373 WeakPolarHBondContact CA-O 3.41Å; G329-F373 PolarHBondContact O-N 3.31Å; G329-G413 WeakPolarHBondContact CA-O 2.74Å
330	D	79.3	Confident	81.3	Confident	6 Å²	6	23.1 Å²	23.1	3%	0.032	12%	0.117	C	C	.	.	S	Bend	trans	-84	-168.5	-174.3	66.7	22.5	0	0	0	113.1	T332 L333 R334 Y372 F373 G414 V415	D330-T332 PolarHBondContact O-N 2.82Å; D330-T332 VanDerWaalsContact O-N 3.08Å; D330-T332 WeakPolarHBondContact OD1-CA 3.25Å; D330-T332 WeakPolarHBondContact OD1-CB 3.43Å; D330-T332 PolarHBondContact OD1-N 2.68Å; D330-T332 PolarHBondContact OD1-OG1 3.39Å; D330-L333 PolarHBondContact O-N 2.96Å; D330-L333 VanDerWaalsContact O-N 3.1Å; D330-R334 PolarHBondContact O-N 3.14Å; D330-Y372 HydrophobicContact CB-CE2 4.3Å; D330-F373 PolarHBondContact N-O 3.43Å; D330-G414 WeakPolarHBondContact OD2-CA 3.26Å; D330-V415 PolarHBondContact OD2-N 2.94Å
331	S	74.9	Confident	81	Confident	54 Å²	54	23.7 Å²	23.7	38%	0.378	12%	0.12	S	C	.	.	H	α-helix	trans	-55.7	-24.7	178.5	55	0	0	0	0	113.4	R334 A335 Y372	S331-R334 WeakPolarHBondContact O-CB 3.01Å; S331-R334 PolarHBondContact O-N 3.16Å; S331-A335 WeakPolarHBondContact O-CB 3.39Å; S331-A335 PolarHBondContact O-N 3.01Å; S331-Y372 VanDerWaalsContact N-CE2 3.32Å
332	T	72.9	Confident	80.8	Confident	6 Å²	6	20.2 Å²	20.2	4%	0.037	11%	0.108	C	C	.	.	H	α-helix	trans	-64	-49.3	175.6	-51.3	0	0	0	0	111.4	D330 R334 A335 L336 K444 V506 F510	D330-T332 PolarHBondContact O-N 2.82Å; D330-T332 VanDerWaalsContact O-N 3.08Å; D330-T332 WeakPolarHBondContact OD1-CA 3.25Å; D330-T332 WeakPolarHBondContact OD1-CB 3.43Å; D330-T332 PolarHBondContact OD1-N 2.68Å; D330-T332 PolarHBondContact OD1-OG1 3.39Å; T332-R334 VanDerWaalsContact C-N 3.27Å; T332-R334 PolarHBondContact O-N 3.33Å; T332-A335 PolarHBondContact O-N 2.89Å; T332-L336 WeakPolarHBondContact O-CB 2.79Å; T332-L336 PolarHBondContact O-N 3Å; T332-K444 HydrophobicContact CG2-CD 3.85Å; T332-V506 HydrophobicContact CG2-CG1 3.74Å; T332-F510 HydrophobicContact CG2-CD2 4.49Å; T332-F510 HydrophobicContact CG2-CE2 3.47Å; T332-F510 VanDerWaalsContact CG2-CE2 3.47Å; T332-F510 HydrophobicContact CG2-CZ 4.13Å; T332-F510 WeakPolarHBondContact OG1-CZ 3.29Å
333	L	79.7	Confident	80.5	Confident	2 Å²	2	18.3 Å²	18.3	1%	0.01	9%	0.09	C	C	.	.	H	α-helix	trans	-71.4	-28.6	179.6	-71.2	-167.4	0	0	0	111.5	F327 L328 D330 L336 M337 F370 G413 K444	F327-L333 HydrophobicContact CD1-CB 4.36Å; L328-L333 WeakPolarHBondContact O-CD1 3.21Å; D330-L333 PolarHBondContact O-N 2.96Å; D330-L333 VanDerWaalsContact O-N 3.1Å; L333-L336 HydrophobicContact CD2-CD2 3.79Å; L333-L336 WeakPolarHBondContact O-CB 3.19Å; L333-L336 PolarHBondContact O-N 2.71Å; L333-M337 WeakPolarHBondContact O-CB 3.31Å; L333-M337 PolarHBondContact O-N 3.2Å; L333-F370 HydrophobicContact CB-CE2 4.28Å; L333-G413 VanDerWaalsContact CD1-N 3.34Å; L333-K444 HydrophobicContact CD2-CB 4.21Å; L333-K444 HydrophobicContact CD2-CD 3.93Å
334	R	81.3	Confident	79.8	Confident	24 Å²	24	15.7 Å²	15.7	9%	0.091	8%	0.08	C	C	.	.	H	α-helix	trans	-62.8	-49.3	170	-168.1	175.7	64	-152	0.1	111.4	D330 S331 T332 L336 M337 Y338 T354 I358 F370	D330-R334 PolarHBondContact O-N 3.14Å; S331-R334 WeakPolarHBondContact O-CB 3.01Å; S331-R334 PolarHBondContact O-N 3.16Å; T332-R334 VanDerWaalsContact C-N 3.27Å; T332-R334 PolarHBondContact O-N 3.33Å; R334-L336 VanDerWaalsContact C-N 3.26Å; R334-L336 PolarHBondContact O-N 3.41Å; R334-M337 WeakPolarHBondContact O-CB 3.38Å; R334-M337 PolarHBondContact O-N 3.48Å; R334-Y338 HydrophobicContact CG-CD2 4.09Å; R334-Y338 HydrophobicContact CG-CE2 3.6Å; R334-Y338 VanDerWaalsContact O-CD2 3.28Å; R334-Y338 WeakPolarHBondContact O-CD2 3.26Å; R334-Y338 PolarHBondContact O-N 3.1Å; R334-T354 PolarHBondContact NH1-O 3.37Å; R334-I358 HydrophobicContact CG-CD1 4.19Å; R334-F370 HydrophobicContact CB-CD1 4.45Å; R334-F370 HydrophobicContact CB-CD2 4.07Å; R334-F370 HydrophobicContact CB-CE1 4.04Å; R334-F370 HydrophobicContact CB-CE2 3.65Å; R334-F370 HydrophobicContact CB-CG 4.47Å; R334-F370 HydrophobicContact CB-CZ 3.64Å; R334-F370 HydrophobicContact CG-CD1 4.23Å; R334-F370 HydrophobicContact CG-CE1 4.09Å; R334-F370 HydrophobicContact CG-CE2 4.43Å; R334-F370 HydrophobicContact CG-CG 4.46Å; R334-F370 HydrophobicContact CG-CZ 4.21Å
335	A	75	Confident	79	Confident	29 Å²	29	17.7 Å²	17.7	24%	0.24	9%	0.091	C	C	.	.	H	α-helix	trans	-60.7	-39.5	176.4	0	0	0	0	0	111.2	S331 T332 Y338 S339 I509	S331-A335 WeakPolarHBondContact O-CB 3.39Å; S331-A335 PolarHBondContact O-N 3.01Å; T332-A335 PolarHBondContact O-N 2.89Å; A335-Y338 PolarHBondContact O-N 3.08Å; A335-S339 PolarHBondContact O-N 2.9Å; A335-I509 HydrophobicContact CB-CD1 4.27Å; A335-I509 HydrophobicContact CB-CG2 4.46Å
336	L	76.1	Confident	77.9	Confident	4 Å²	4	23 Å²	23	2%	0.021	11%	0.114	C	C	.	.	H	α-helix	trans	-60.1	-48.3	175.1	-171.3	62.7	0	0	0	112.9	F327 T332 L333 R334 Y338 S339 L340 L502 V506	F327-L336 HydrophobicContact CE1-CD2 4.2Å; F327-L336 HydrophobicContact CE1-CG 4.34Å; T332-L336 WeakPolarHBondContact O-CB 2.79Å; T332-L336 PolarHBondContact O-N 3Å; L333-L336 HydrophobicContact CD2-CD2 3.79Å; L333-L336 WeakPolarHBondContact O-CB 3.19Å; L333-L336 PolarHBondContact O-N 2.71Å; R334-L336 VanDerWaalsContact C-N 3.26Å; R334-L336 PolarHBondContact O-N 3.41Å; L336-Y338 VanDerWaalsContact C-N 3.33Å; L336-Y338 PolarHBondContact O-N 2.82Å; L336-S339 PolarHBondContact O-N 3.15Å; L336-L340 PolarHBondContact O-N 3.4Å; L336-L502 HydrophobicContact CD1-CB 3.34Å; L336-L502 HydrophobicContact CD1-CD1 4.26Å; L336-L502 HydrophobicContact CD1-CD2 3.56Å; L336-L502 HydrophobicContact CD1-CG 3.85Å; L336-L502 WeakPolarHBondContact CD1-O 3.46Å; L336-L502 HydrophobicContact CD2-CB 4.28Å; L336-L502 HydrophobicContact CD2-CD1 4.11Å; L336-L502 HydrophobicContact CG-CB 4.06Å; L336-L502 HydrophobicContact CG-CD1 4.08Å; L336-L502 HydrophobicContact CG-CD2 3.86Å; L336-L502 HydrophobicContact CG-CG 4.19Å; L336-V506 HydrophobicContact CB-CG2 4.17Å; L336-V506 HydrophobicContact CD1-CG2 3.23Å; L336-V506 HydrophobicContact CD2-CG2 4.38Å; L336-V506 HydrophobicContact CG-CG2 4.13Å
337	M	81.7	Confident	76.4	Confident	1 Å²	1	25.6 Å²	25.6	1%	0.005	13%	0.13	C	C	.	.	H	α-helix	trans	-56.7	-48.9	175.2	177.9	-171.4	67.2	0	0	110.8	F327 L333 R334 S339 L340 L341 I358 L360 T368 F370	F327-M337 HydrophobicContact CD1-CB 4.25Å; F327-M337 HydrophobicContact CD2-CB 3.78Å; F327-M337 HydrophobicContact CD2-CG 3.79Å; F327-M337 HydrophobicContact CD2-SD 4.08Å; F327-M337 HydrophobicContact CE1-CB 4.18Å; F327-M337 HydrophobicContact CE2-CB 3.67Å; F327-M337 HydrophobicContact CE2-CG 3.62Å; F327-M337 HydrophobicContact CE2-SD 4.44Å; F327-M337 HydrophobicContact CG-CB 4.08Å; F327-M337 HydrophobicContact CZ-CB 3.9Å; F327-M337 HydrophobicContact CZ-CG 4.27Å; L333-M337 WeakPolarHBondContact O-CB 3.31Å; L333-M337 PolarHBondContact O-N 3.2Å; R334-M337 WeakPolarHBondContact O-CB 3.38Å; R334-M337 PolarHBondContact O-N 3.48Å; M337-S339 VanDerWaalsContact C-N 3.34Å; M337-S339 PolarHBondContact O-N 3.36Å; M337-L340 WeakPolarHBondContact O-CB 3.03Å; M337-L340 PolarHBondContact O-N 3.28Å; M337-L341 HydrophobicContact CG-CD1 4.25Å; M337-L341 WeakPolarHBondContact O-CG 3.18Å; M337-L341 PolarHBondContact O-N 2.72Å; M337-L341 VanDerWaalsContact O-N 3.07Å; M337-I358 HydrophobicContact CE-CD1 4.27Å; M337-I358 HydrophobicContact CE-CG2 4.45Å; M337-L360 HydrophobicContact CE-CD1 4.07Å; M337-T368 HydrophobicContact CG-CG2 4Å; M337-T368 HydrophobicContact SD-CG2 3.74Å; M337-T368 PolarHBondContact SD-OG1 2.74Å; M337-T368 VanDerWaalsContact SD-OG1 3.4Å; M337-F370 HydrophobicContact CE-CB 3.84Å; M337-F370 HydrophobicContact CE-CG 4.48Å; M337-F370 HydrophobicContact SD-CB 3.63Å
338	Y	77.1	Confident	74.8	Confident	15 Å²	15	29 Å²	29	6%	0.059	15%	0.147	C	C	.	.	H	α-helix	trans	-61.7	-43	179	-72.1	-47.2	0	0	0	111.9	R334 A335 L336 L340 L341 Y342 L348 V351 Q352 I358 L360	R334-Y338 HydrophobicContact CG-CD2 4.09Å; R334-Y338 HydrophobicContact CG-CE2 3.6Å; R334-Y338 VanDerWaalsContact O-CD2 3.28Å; R334-Y338 WeakPolarHBondContact O-CD2 3.26Å; R334-Y338 PolarHBondContact O-N 3.1Å; A335-Y338 PolarHBondContact O-N 3.08Å; L336-Y338 VanDerWaalsContact C-N 3.33Å; L336-Y338 PolarHBondContact O-N 2.82Å; Y338-L340 VanDerWaalsContact C-N 3.3Å; Y338-L340 PolarHBondContact O-N 2.98Å; Y338-L341 HydrophobicContact CD1-CD1 4.49Å; Y338-L341 PolarHBondContact O-N 3.22Å; Y338-L341 VanDerWaalsContact O-N 3.15Å; Y338-Y342 WeakPolarHBondContact O-CB 3.41Å; Y338-Y342 PolarHBondContact O-N 2.96Å; Y338-L348 HydrophobicContact CD1-CD2 4.04Å; Y338-L348 HydrophobicContact CG-CD2 4.28Å; Y338-L348 WeakPolarHBondContact O-CD2 3.35Å; Y338-V351 HydrophobicContact CD2-CG1 3.95Å; Y338-V351 HydrophobicContact CE2-CB 4.45Å; Y338-V351 HydrophobicContact CE2-CG1 3.75Å; Y338-Q352 PolarHBondContact OH-N 3.45Å; Y338-Q352 PolarHBondContact OH-O 2.93Å; Y338-I358 WeakPolarHBondContact OH-CD1 3.41Å; Y338-L360 HydrophobicContact CE1-CD1 4.11Å
339	S	73.5	Confident	73	Confident	17 Å²	17	36.6 Å²	36.6	12%	0.119	18%	0.181	C	C	.	.	H	α-helix	trans	-61.8	-40.3	179.7	-155.8	0	0	0	0	112.5	A335 L336 M337 L341 Y342 R343 D505	A335-S339 PolarHBondContact O-N 2.9Å; L336-S339 PolarHBondContact O-N 3.15Å; M337-S339 VanDerWaalsContact C-N 3.34Å; M337-S339 PolarHBondContact O-N 3.36Å; S339-L341 PolarHBondContact O-N 3.05Å; S339-Y342 PolarHBondContact O-N 2.88Å; S339-R343 WeakPolarHBondContact O-CG 3.2Å; S339-R343 PolarHBondContact O-N 3.2Å; S339-D505 WeakPolarHBondContact CB-OD2 3.28Å; S339-D505 VanDerWaalsContact OG-CB 3.25Å; S339-D505 WeakPolarHBondContact OG-CB 2.9Å; S339-D505 PolarHBondContact OG-OD2 3.4Å
340	L	76.1	Confident	71.5	Confident	1 Å²	1	44.2 Å²	44.2	1%	0.005	22%	0.216	C	C	.	.	H	α-helix	trans	-59.1	-48.9	173	-169.2	48.1	0	0	0	112	I316 L320 L325 L336 M337 Y338 Y342 R343 I344 I498 L502	I316-L340 HydrophobicContact CG2-CD1 4.14Å; L320-L340 HydrophobicContact CD1-CD1 4.47Å; L320-L340 HydrophobicContact CD1-CD2 4.33Å; L325-L340 HydrophobicContact CD1-CD2 3.43Å; L325-L340 VanDerWaalsContact CD1-CD2 3.43Å; L325-L340 HydrophobicContact CD1-CG 4.44Å; L336-L340 PolarHBondContact O-N 3.4Å; M337-L340 WeakPolarHBondContact O-CB 3.03Å; M337-L340 PolarHBondContact O-N 3.28Å; Y338-L340 VanDerWaalsContact C-N 3.3Å; Y338-L340 PolarHBondContact O-N 2.98Å; L340-Y342 VanDerWaalsContact C-N 3.33Å; L340-Y342 PolarHBondContact O-N 3.35Å; L340-R343 PolarHBondContact O-N 3.08Å; L340-I344 HydrophobicContact CD1-CD1 3.77Å; L340-I344 HydrophobicContact CG-CD1 3.98Å; L340-I344 WeakPolarHBondContact O-CD1 3.48Å; L340-I344 WeakPolarHBondContact O-CG1 3.34Å; L340-I344 PolarHBondContact O-N 2.64Å; L340-I498 HydrophobicContact CD2-CG2 4.24Å; L340-L502 HydrophobicContact CB-CD2 3.52Å; L340-L502 HydrophobicContact CD1-CD2 3.99Å; L340-L502 HydrophobicContact CD2-CD1 4.25Å; L340-L502 HydrophobicContact CD2-CD2 4.04Å; L340-L502 HydrophobicContact CG-CD2 4.03Å
341	L	75	Confident	70.5	Confident	13 Å²	13	48.2 Å²	48.2	7%	0.068	24%	0.241	C	C	.	.	H	α-helix	trans	-62.5	-42.4	-179.5	-70.5	176.2	0	0	0	111.3	M337 Y338 S339 R343 I344 N345 L360 I366 T368	M337-L341 HydrophobicContact CG-CD1 4.25Å; M337-L341 WeakPolarHBondContact O-CG 3.18Å; M337-L341 PolarHBondContact O-N 2.72Å; M337-L341 VanDerWaalsContact O-N 3.07Å; Y338-L341 HydrophobicContact CD1-CD1 4.49Å; Y338-L341 PolarHBondContact O-N 3.22Å; Y338-L341 VanDerWaalsContact O-N 3.15Å; S339-L341 PolarHBondContact O-N 3.05Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 3.14Å; L341-I344 PolarHBondContact O-N 2.71Å; L341-N345 WeakPolarHBondContact O-CB 3.29Å; L341-N345 PolarHBondContact O-N 3.36Å; L341-L360 HydrophobicContact CD1-CD1 3.37Å; L341-I366 HydrophobicContact CD2-CD1 4.34Å; L341-I366 HydrophobicContact CD2-CG2 4.36Å; L341-T368 HydrophobicContact CD1-CG2 3.9Å; L341-T368 HydrophobicContact CD2-CG2 4.04Å; L341-T368 HydrophobicContact CG-CG2 4.33Å
342	Y	73.8	Confident	69.9	Low	117 Å²	117	51.3 Å²	51.3	46%	0.459	25%	0.249	S	C	.	.	H	α-helix	trans	-61.5	-42.5	175.9	-178.8	-110.5	0	0	0	111.6	Y338 S339 L340 I344 K346 L348	Y338-Y342 WeakPolarHBondContact O-CB 3.41Å; Y338-Y342 PolarHBondContact O-N 2.96Å; S339-Y342 PolarHBondContact O-N 2.88Å; L340-Y342 VanDerWaalsContact C-N 3.33Å; L340-Y342 PolarHBondContact O-N 3.35Å; Y342-I344 PolarHBondContact O-N 2.8Å; Y342-K346 WeakPolarHBondContact CE2-O 3.34Å; Y342-K346 WeakPolarHBondContact O-CA 3.06Å; Y342-K346 PolarHBondContact O-N 3.5Å; Y342-L348 HydrophobicContact CD2-CD1 4.23Å; Y342-L348 HydrophobicContact CD2-CG 3.9Å; Y342-L348 HydrophobicContact CG-CD1 4.32Å; Y342-L348 HydrophobicContact CG-CG 4.21Å
343	R	71.4	Confident	69.4	Low	32 Å²	32	59 Å²	59	12%	0.121	29%	0.285	C	S	.	.	H	α-helix	trans	-59.4	-36.7	178.3	-76.6	-178.8	176.2	-159.5	0.9	112.3	Y304 S339 L340 L341 K346 M501 D505	Y304-R343 PolarHBondContact OH-NH2 3.13Å; S339-R343 WeakPolarHBondContact O-CG 3.2Å; S339-R343 PolarHBondContact O-N 3.2Å; L340-R343 PolarHBondContact O-N 3.08Å; L341-R343 VanDerWaalsContact C-N 3.34Å; L341-R343 PolarHBondContact O-N 3.14Å; R343-K346 WeakPolarHBondContact O-CE 3.44Å; R343-M501 VanDerWaalsContact CZ-O 3.26Å; R343-M501 VanDerWaalsContact NH1-CB 3.32Å; R343-M501 PolarHBondContact NH1-O 3.48Å; R343-M501 PolarHBondContact NH2-O 2.88Å; R343-D505 VanDerWaalsContact CZ-CG 3.48Å; R343-D505 IonicContact CZ-OD1 3Å; R343-D505 IonicContact CZ-OD2 3.47Å; R343-D505 IonicContact NE-OD1 2.95Å; R343-D505 IonicContact NE-OD2 3.58Å; R343-D505 PolarHBondContact NE-OD2 3.22Å; R343-D505 IonicContact NH1-OD2 3.41Å; R343-D505 IonicContact NH2-OD1 3.82Å; R343-D505 PolarHBondContact NH2-OD1 3.21Å; R343-D505 IonicContact NH2-OD2 3.13Å; R343-D505 PolarHBondContact NH2-OD2 3.48Å
344	I	71.1	Confident	68.6	Low	6 Å²	6	59.4 Å²	59.4	3%	0.031	29%	0.287	C	S	.	.	H	α-helix	trans	-88.3	-48.6	-173.9	-59.1	161.5	0	0	0	111.3	K313 I316 L320 L340 L341 Y342 I366	K313-I344 WeakPolarHBondContact CE-O 3.49Å; K313-I344 PolarHBondContact NZ-O 2.7Å; I316-I344 HydrophobicContact CG2-CD1 3.55Å; I316-I344 HydrophobicContact CG2-CG1 3.99Å; L320-I344 HydrophobicContact CD1-CD1 3.5Å; L320-I344 VanDerWaalsContact CD1-CD1 3.5Å; L340-I344 HydrophobicContact CD1-CD1 3.77Å; L340-I344 HydrophobicContact CG-CD1 3.98Å; L340-I344 WeakPolarHBondContact O-CD1 3.48Å; L340-I344 WeakPolarHBondContact O-CG1 3.34Å; L340-I344 PolarHBondContact O-N 2.64Å; L341-I344 PolarHBondContact O-N 2.71Å; Y342-I344 PolarHBondContact O-N 2.8Å; I344-I366 HydrophobicContact CB-CD1 3.98Å; I344-I366 HydrophobicContact CD1-CD1 3.19Å; I344-I366 HydrophobicContact CG1-CD1 4.16Å; I344-I366 HydrophobicContact CG2-CD1 3.78Å
345	N	70.3	Confident	67.7	Low	42 Å²	42	63.3 Å²	63.3	23%	0.225	31%	0.306	C	S	.	.	H	α-helix	trans	-87.5	-15.4	-176.4	-62	-24.5	0	0	0	113.1	L341 T347 N362	L341-N345 WeakPolarHBondContact O-CB 3.29Å; L341-N345 PolarHBondContact O-N 3.36Å; N345-T347 PolarHBondContact O-N 3.13Å; N345-T347 VanDerWaalsContact O-N 3.14Å; N345-N362 PolarHBondContact ND2-ND2 2.98Å; N345-N362 VanDerWaalsContact ND2-ND2 3.18Å; N345-N362 PolarHBondContact OD1-ND2 2.76Å
346	K	65.2	Low	67.4	Low	115 Å²	115	67.6 Å²	67.6	50%	0.5	33%	0.325	S	S	.	.	S	Bend	trans	60.2	11.3	-172.4	-58.6	-63.7	-177.2	-176.6	0	114.5	Y342 R343	Y342-K346 WeakPolarHBondContact CE2-O 3.34Å; Y342-K346 WeakPolarHBondContact O-CA 3.06Å; Y342-K346 PolarHBondContact O-N 3.5Å; R343-K346 WeakPolarHBondContact O-CE 3.44Å
347	T	60.4	Low	67.1	Low	53 Å²	53	71.3 Å²	71.3	33%	0.325	34%	0.342	S	S	.	.			trans	-141.2	146.6	178	61.1	0	0	0	0	109.6	N345 F349	N345-T347 PolarHBondContact O-N 3.13Å; N345-T347 VanDerWaalsContact O-N 3.14Å; T347-F349 HydrophobicContact CG2-CE2 4.45Å; T347-F349 HydrophobicContact CG2-CZ 4.19Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.28Å; T347-F349 WeakPolarHBondContact OG1-CE2 3.42Å; T347-F349 WeakPolarHBondContact OG1-CZ 3.42Å
348	L	58	Low	66.7	Low	71 Å²	71	72 Å²	72	37%	0.372	35%	0.346	S	S	.	.			trans	-113.9	90.2	165.5	-72.7	168.3	0	0	0	106	Y338 Y342 H350 V351	Y338-L348 HydrophobicContact CD1-CD2 4.04Å; Y338-L348 HydrophobicContact CG-CD2 4.28Å; Y338-L348 WeakPolarHBondContact O-CD2 3.35Å; Y342-L348 HydrophobicContact CD2-CD1 4.23Å; Y342-L348 HydrophobicContact CD2-CG 3.9Å; Y342-L348 HydrophobicContact CG-CD1 4.32Å; Y342-L348 HydrophobicContact CG-CG 4.21Å; L348-H350 PolarHBondContact O-N 3.38Å; L348-V351 HydrophobicContact CB-CG2 3.85Å; L348-V351 HydrophobicContact CD1-CG2 3.76Å; L348-V351 HydrophobicContact CD2-CG2 4.33Å; L348-V351 HydrophobicContact CG-CG2 4.19Å
349	F	53	Low	66.4	Low	161 Å²	161	74.5 Å²	74.5	71%	0.706	36%	0.363	S	S	*	.	S	Bend	trans	-61.6	-33.9	-174.5	-74.5	-74.7	0	0	0	111.9	T347	T347-F349 HydrophobicContact CG2-CE2 4.45Å; T347-F349 HydrophobicContact CG2-CZ 4.19Å; T347-F349 WeakPolarHBondContact OG1-CD2 3.28Å; T347-F349 WeakPolarHBondContact OG1-CE2 3.42Å; T347-F349 WeakPolarHBondContact OG1-CZ 3.42Å
350	H	56.5	Low	66.3	Low	159 Å²	159	76.5 Å²	76.5	74%	0.736	37%	0.372	S	S	*	.			trans	-150.7	108.7	173	-68.3	-68	0	0	0	110.9	L348	L348-H350 PolarHBondContact O-N 3.38Å
351	V	58.1	Low	65.6	Low	90 Å²	90	81 Å²	81	55%	0.545	40%	0.395	S	S	.	.			trans	-86.1	109.7	162.9	-179.8	0	0	0	0	106.8	Y338 L348	Y338-V351 HydrophobicContact CD2-CG1 3.95Å; Y338-V351 HydrophobicContact CE2-CB 4.45Å; Y338-V351 HydrophobicContact CE2-CG1 3.75Å; L348-V351 HydrophobicContact CB-CG2 3.85Å; L348-V351 HydrophobicContact CD1-CG2 3.76Å; L348-V351 HydrophobicContact CD2-CG2 4.33Å; L348-V351 HydrophobicContact CG-CG2 4.19Å
352	Q	61.9	Low	65	Low	119 Å²	119	83.1 Å²	83.1	56%	0.556	41%	0.406	S	S	*	.			trans	-106.8	125.8	172.8	-165.5	174.5	8.7	0	0	109.9	Y338 T354	Y338-Q352 PolarHBondContact OH-N 3.45Å; Y338-Q352 PolarHBondContact OH-O 2.93Å; Q352-T354 VanDerWaalsContact C-N 3.34Å; Q352-T354 HydrophobicContact CB-CG2 4.26Å; Q352-T354 HydrophobicContact CG-CG2 4.12Å; Q352-T354 PolarHBondContact O-N 3.46Å; Q352-T354 VanDerWaalsContact O-N 3.13Å
353	E	62	Low	63.9	Low	168 Å²	168	83.5 Å²	83.5	79%	0.785	43%	0.426	S	S	*	.			trans	-73.2	93	159.1	-67.1	-178.8	-168.9	0	0	107.8
354	T	63	Low	62.9	Low	10 Å²	10	86.2 Å²	86.2	6%	0.061	46%	0.455	C	S	.	.			trans	-127.1	137.7	173.1	171	0	0	0	0	110.3	R334 Q352 D356 I358	R334-T354 PolarHBondContact NH1-O 3.37Å; Q352-T354 VanDerWaalsContact C-N 3.34Å; Q352-T354 HydrophobicContact CB-CG2 4.26Å; Q352-T354 HydrophobicContact CG-CG2 4.12Å; Q352-T354 PolarHBondContact O-N 3.46Å; Q352-T354 VanDerWaalsContact O-N 3.13Å; T354-D356 WeakPolarHBondContact OG1-CB 3.39Å; T354-D356 PolarHBondContact OG1-N 2.87Å; T354-D356 PolarHBondContact OG1-OD2 3.34Å; T354-I358 HydrophobicContact CG2-CD1 3.45Å; T354-I358 VanDerWaalsContact CG2-CD1 3.45Å; T354-I358 HydrophobicContact CG2-CG1 3.36Å
355	H	62.3	Low	62.6	Low	107 Å²	107	88.2 Å²	88.2	50%	0.495	47%	0.468	S	S	.	.	S	Bend	trans	-88.3	9	170.5	-61.2	92.8	0	0	0	111.3	Y372	H355-Y372 HydrophobicContact CB-CD1 4.37Å; H355-Y372 HydrophobicContact CB-CG 4.3Å; H355-Y372 AromaticContact CD2-CD1 3.86Å; H355-Y372 AromaticContact CD2-CE1 3.58Å; H355-Y372 AromaticContact CD2-CE2 3.75Å; H355-Y372 AromaticContact CD2-CZ 3.54Å; H355-Y372 VanDerWaalsContact O-CB 3.25Å; H355-Y372 WeakPolarHBondContact O-CB 3.01Å
356	D	69.4	Low	62.8	Low	118 Å²	118	86.4 Å²	86.4	63%	0.631	46%	0.458	S	S	*	.	S	Bend	trans	-97.8	-167.6	177.4	-52.2	-58.3	0	0	0	111.3	T354	T354-D356 WeakPolarHBondContact OG1-CB 3.39Å; T354-D356 PolarHBondContact OG1-N 2.87Å; T354-D356 PolarHBondContact OG1-OD2 3.34Å
357	Q	69.3	Low	63.6	Low	82 Å²	82	81.4 Å²	81.4	38%	0.383	44%	0.438	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.7	133.4	174.8	-55.1	-166.6	-33.2	0	0	110.5	F370 T371 S397	Q357-F370 CarbonylContact C-O 3.58Å; Q357-F370 VanDerWaalsContact CA-O 3.29Å; Q357-F370 WeakPolarHBondContact CA-O 3.46Å; Q357-T371 HydrophobicContact CG-CG2 4.09Å; Q357-T371 VanDerWaalsContact CG-OG1 3.31Å; Q357-T371 WeakPolarHBondContact CG-OG1 3.35Å; Q357-T371 PolarHBondContact NE2-OG1 2.67Å; Q357-T371 VanDerWaalsContact NE2-OG1 3.1Å; Q357-S397 PolarHBondContact NE2-OG 2.97Å; Q357-S397 PolarHBondContact OE1-OG 3.22Å
358	I	72.6	Confident	64.8	Low	16 Å²	16	78.9 Å²	78.9	8%	0.082	42%	0.422	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-111.4	130.5	175.5	-52.8	169.9	0	0	0	107.3	R334 M337 Y338 T354 L360 R369 F370	R334-I358 HydrophobicContact CG-CD1 4.19Å; M337-I358 HydrophobicContact CE-CD1 4.27Å; M337-I358 HydrophobicContact CE-CG2 4.45Å; Y338-I358 WeakPolarHBondContact OH-CD1 3.41Å; T354-I358 HydrophobicContact CG2-CD1 3.45Å; T354-I358 VanDerWaalsContact CG2-CD1 3.45Å; T354-I358 HydrophobicContact CG2-CG1 3.36Å; I358-L360 HydrophobicContact CG2-CD1 4.18Å; I358-L360 HydrophobicContact CG2-CD2 4.15Å; I358-L360 HydrophobicContact CG2-CG 3.81Å; I358-R369 CarbonylContact O-C 3.55Å; I358-R369 VanDerWaalsContact O-CA 3.24Å; I358-R369 WeakPolarHBondContact O-CA 3.49Å; I358-F370 HydrophobicContact CB-CB 4.22Å; I358-F370 HydrophobicContact CB-CD1 4.49Å; I358-F370 HydrophobicContact CD1-CD1 3.77Å; I358-F370 HydrophobicContact CD1-CE1 4.49Å; I358-F370 HydrophobicContact CD1-CG 4.46Å; I358-F370 HydrophobicContact CG1-CD1 4.06Å; I358-F370 PolarHBondContact N-O 3.04Å; I358-F370 PolarHBondContact O-N 2.7Å
359	T	71.8	Confident	66.2	Low	68 Å²	68	77.3 Å²	77.3	42%	0.417	41%	0.411	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	117.9	167.6	-65	0	0	0	0	108.3	I361 R369	T359-I361 HydrophobicContact CG2-CD1 3.9Å; T359-I361 HydrophobicContact CG2-CG1 3.8Å; T359-R369 HydrophobicContact CG2-CG 3.93Å; T359-R369 WeakPolarHBondContact OG1-CD 3.47Å; T359-R369 WeakPolarHBondContact OG1-CG 3.13Å; T359-R369 PolarHBondContact OG1-NE 3.41Å
360	L	70.7	Confident	67.9	Low	58 Å²	58	69.7 Å²	69.7	30%	0.304	38%	0.378	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-114.3	107.5	174.1	-59.6	169	0	0	0	107.6	M337 Y338 L341 I358 T368	M337-L360 HydrophobicContact CE-CD1 4.07Å; Y338-L360 HydrophobicContact CE1-CD1 4.11Å; L341-L360 HydrophobicContact CD1-CD1 3.37Å; I358-L360 HydrophobicContact CG2-CD1 4.18Å; I358-L360 HydrophobicContact CG2-CD2 4.15Å; I358-L360 HydrophobicContact CG2-CG 3.81Å; L360-T368 HydrophobicContact CB-CG2 3.71Å; L360-T368 HydrophobicContact CD1-CG2 4.23Å; L360-T368 HydrophobicContact CG-CG2 4.43Å; L360-T368 PolarHBondContact N-O 2.68Å; L360-T368 PolarHBondContact O-N 3.11Å
361	I	62.1	Low	69.4	Low	95 Å²	95	62.2 Å²	62.2	49%	0.487	34%	0.343	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-104.6	103.6	172.6	-60.2	164.3	0	0	0	105.4	T359 T367	T359-I361 HydrophobicContact CG2-CD1 3.9Å; T359-I361 HydrophobicContact CG2-CG1 3.8Å; I361-T367 HydrophobicContact CG1-CG2 4.05Å
362	N	62.4	Low	70.7	Confident	58 Å²	58	59 Å²	59	31%	0.31	32%	0.321	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	119.4	167.6	-172.6	-17.9	0	0	0	108	N345 A364 T365 I366	N345-N362 PolarHBondContact ND2-ND2 2.98Å; N345-N362 VanDerWaalsContact ND2-ND2 3.18Å; N345-N362 PolarHBondContact OD1-ND2 2.76Å; N362-A364 PolarHBondContact O-N 2.96Å; N362-T365 PolarHBondContact O-N 3.09Å; N362-I366 PolarHBondContact N-O 3.08Å
363	S	49.6	Very low	71.8	Confident	126 Å²	126	54.5 Å²	54.5	88%	0.881	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-13.7	-170	-11.8	0	0	0	0	115
364	A	52.1	Low	72.4	Confident	88 Å²	88	47.6 Å²	47.6	73%	0.727	27%	0.27	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.4	-14	-176.3	0	0	0	0	0	116.3	N362	N362-A364 PolarHBondContact O-N 2.96Å
365	T	63.2	Low	72.7	Confident	48 Å²	48	49.6 Å²	49.6	29%	0.294	28%	0.28	S	S	.	.	T	Hydrogen-bonded Turn	trans	-141.4	-44.1	-169.4	54.5	0	0	0	0	116	T317 N362	T317-T365 HydrophobicContact CG2-CG2 4.22Å; N362-T365 PolarHBondContact O-N 3.09Å
366	I	75	Confident	72.7	Confident	4 Å²	4	50.1 Å²	50.1	2%	0.021	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	132.7	-167	-53.6	169.5	0	0	0	110.8	L320 L325 L341 I344 N362	L320-I366 HydrophobicContact CB-CG1 4.4Å; L320-I366 HydrophobicContact CD1-CD1 3.9Å; L320-I366 HydrophobicContact CD1-CG1 4.3Å; L325-I366 HydrophobicContact CD1-CG2 3.79Å; L325-I366 HydrophobicContact CG-CG2 4.25Å; L341-I366 HydrophobicContact CD2-CD1 4.34Å; L341-I366 HydrophobicContact CD2-CG2 4.36Å; I344-I366 HydrophobicContact CB-CD1 3.98Å; I344-I366 HydrophobicContact CD1-CD1 3.19Å; I344-I366 HydrophobicContact CG1-CD1 4.16Å; I344-I366 HydrophobicContact CG2-CD1 3.78Å; N362-I366 PolarHBondContact N-O 3.08Å
367	T	81.4	Confident	72.1	Confident	11 Å²	11	47.1 Å²	47.1	7%	0.067	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.3	125.8	162.9	-60.6	0	0	0	0	108.9	V324 L325 I361 F401 F405	V324-T367 HydrophobicContact CG2-CG2 3.88Å; L325-T367 PolarHBondContact N-O 2.99Å; I361-T367 HydrophobicContact CG1-CG2 4.05Å; T367-F401 HydrophobicContact CG2-CD1 4.49Å; T367-F401 HydrophobicContact CG2-CE1 3.91Å; T367-F405 HydrophobicContact CG2-CE1 4.25Å; T367-F405 HydrophobicContact CG2-CZ 3.73Å
368	T	86	Confident	71.1	Confident	0 Å²	0	49.2 Å²	49.2	0%	0	28%	0.279	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.6	146.7	173.1	-174.2	0	0	0	0	111.7	L325 F327 M337 L341 L360	L325-T368 CarbonylContact O-C 3.55Å; L325-T368 WeakPolarHBondContact O-CA 3.4Å; L325-T368 PolarHBondContact O-OG1 2.73Å; F327-T368 WeakPolarHBondContact CD2-OG1 3.47Å; F327-T368 WeakPolarHBondContact CE2-OG1 3.1Å; M337-T368 HydrophobicContact CG-CG2 4Å; M337-T368 HydrophobicContact SD-CG2 3.74Å; M337-T368 PolarHBondContact SD-OG1 2.74Å; M337-T368 VanDerWaalsContact SD-OG1 3.4Å; L341-T368 HydrophobicContact CD1-CG2 3.9Å; L341-T368 HydrophobicContact CD2-CG2 4.04Å; L341-T368 HydrophobicContact CG-CG2 4.33Å; L360-T368 HydrophobicContact CB-CG2 3.71Å; L360-T368 HydrophobicContact CD1-CG2 4.23Å; L360-T368 HydrophobicContact CG-CG2 4.43Å; L360-T368 PolarHBondContact N-O 2.68Å; L360-T368 PolarHBondContact O-N 3.11Å
369	R	88.5	Confident	69.9	Low	38 Å²	38	56.2 Å²	56.2	14%	0.143	31%	0.309	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.4	142.7	168.6	-68.1	-165.2	175.3	158.6	-4.9	110.7	L325 L326 F327 I358 T359 L398 M400 F401	L325-R369 PolarHBondContact O-N 2.76Å; L326-R369 CarbonylContact C-O 3.46Å; L326-R369 WeakPolarHBondContact CA-O 3.49Å; L326-R369 HydrophobicContact CD2-CB 4.14Å; F327-R369 PolarHBondContact N-O 3.16Å; I358-R369 CarbonylContact O-C 3.55Å; I358-R369 VanDerWaalsContact O-CA 3.24Å; I358-R369 WeakPolarHBondContact O-CA 3.49Å; T359-R369 HydrophobicContact CG2-CG 3.93Å; T359-R369 WeakPolarHBondContact OG1-CD 3.47Å; T359-R369 WeakPolarHBondContact OG1-CG 3.13Å; T359-R369 PolarHBondContact OG1-NE 3.41Å; R369-L398 HydrophobicContact CB-CD1 3.58Å; R369-L398 PolarHBondContact NH1-O 2.82Å; R369-M400 PolarHBondContact NH1-O 3.35Å; R369-M400 PolarHBondContact NH2-O 3.02Å; R369-F401 HydrophobicContact CB-CZ 4.43Å; R369-F401 VanDerWaalsContact CD-CZ 3.41Å; R369-F401 HydrophobicContact CG-CE1 3.87Å; R369-F401 HydrophobicContact CG-CZ 3.75Å
370	F	87.9	Confident	68.8	Low	0 Å²	0	53.8 Å²	53.8	0%	0	30%	0.295	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.6	145	173	168.9	-91.8	0	0	0	109.6	F327 G329 L333 R334 M337 Q357 I358 Y372	F327-F370 HydrophobicContact CB-CB 4.21Å; F327-F370 HydrophobicContact CB-CD2 3.69Å; F327-F370 HydrophobicContact CB-CG 4.44Å; F327-F370 CarbonylContact O-C 3.59Å; F327-F370 VanDerWaalsContact O-CA 3.29Å; F327-F370 WeakPolarHBondContact O-CA 3.33Å; G329-F370 WeakPolarHBondContact O-CE2 3.48Å; G329-F370 VanDerWaalsContact O-CZ 3.23Å; G329-F370 WeakPolarHBondContact O-CZ 3.46Å; L333-F370 HydrophobicContact CB-CE2 4.28Å; R334-F370 HydrophobicContact CB-CD1 4.45Å; R334-F370 HydrophobicContact CB-CD2 4.07Å; R334-F370 HydrophobicContact CB-CE1 4.04Å; R334-F370 HydrophobicContact CB-CE2 3.65Å; R334-F370 HydrophobicContact CB-CG 4.47Å; R334-F370 HydrophobicContact CB-CZ 3.64Å; R334-F370 HydrophobicContact CG-CD1 4.23Å; R334-F370 HydrophobicContact CG-CE1 4.09Å; R334-F370 HydrophobicContact CG-CE2 4.43Å; R334-F370 HydrophobicContact CG-CG 4.46Å; R334-F370 HydrophobicContact CG-CZ 4.21Å; M337-F370 HydrophobicContact CE-CB 3.84Å; M337-F370 HydrophobicContact CE-CG 4.48Å; M337-F370 HydrophobicContact SD-CB 3.63Å; Q357-F370 CarbonylContact C-O 3.58Å; Q357-F370 VanDerWaalsContact CA-O 3.29Å; Q357-F370 WeakPolarHBondContact CA-O 3.46Å; I358-F370 HydrophobicContact CB-CB 4.22Å; I358-F370 HydrophobicContact CB-CD1 4.49Å; I358-F370 HydrophobicContact CD1-CD1 3.77Å; I358-F370 HydrophobicContact CD1-CE1 4.49Å; I358-F370 HydrophobicContact CD1-CG 4.46Å; I358-F370 HydrophobicContact CG1-CD1 4.06Å; I358-F370 PolarHBondContact N-O 3.04Å; I358-F370 PolarHBondContact O-N 2.7Å; F370-Y372 HydrophobicContact CE1-CD2 4.06Å; F370-Y372 AromaticContact CZ-CD2 3.77Å; F370-Y372 HydrophobicContact CZ-CD2 3.77Å; F370-Y372 HydrophobicContact CZ-CG 4.35Å
371	T	88.5	Confident	67.7	Low	3 Å²	3	56.7 Å²	56.7	2%	0.018	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.2	126.5	171	-73.1	0	0	0	0	108.8	F327 L328 G329 Q357 L394	F327-T371 PolarHBondContact O-N 2.56Å; L328-T371 WeakPolarHBondContact CA-O 3.29Å; L328-T371 HydrophobicContact CD1-CG2 3.77Å; G329-T371 PolarHBondContact N-O 3.13Å; Q357-T371 HydrophobicContact CG-CG2 4.09Å; Q357-T371 VanDerWaalsContact CG-OG1 3.31Å; Q357-T371 WeakPolarHBondContact CG-OG1 3.35Å; Q357-T371 PolarHBondContact NE2-OG1 2.67Å; Q357-T371 VanDerWaalsContact NE2-OG1 3.1Å; T371-L394 HydrophobicContact CG2-CB 3.84Å; T371-L394 HydrophobicContact CG2-CD1 4.19Å; T371-L394 HydrophobicContact CG2-CD2 3.73Å; T371-L394 HydrophobicContact CG2-CG 4.11Å
372	Y	85.8	Confident	67	Low	22 Å²	22	58.8 Å²	58.8	9%	0.086	32%	0.319	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.5	131.6	179.2	-159.7	-88.6	0	0	0	111.3	G329 D330 S331 H355 F370 P374 Y376	G329-Y372 CarbonylContact O-C 3.41Å; G329-Y372 WeakPolarHBondContact O-CA 3.14Å; D330-Y372 HydrophobicContact CB-CE2 4.3Å; S331-Y372 VanDerWaalsContact N-CE2 3.32Å; H355-Y372 HydrophobicContact CB-CD1 4.37Å; H355-Y372 HydrophobicContact CB-CG 4.3Å; H355-Y372 AromaticContact CD2-CD1 3.86Å; H355-Y372 AromaticContact CD2-CE1 3.58Å; H355-Y372 AromaticContact CD2-CE2 3.75Å; H355-Y372 AromaticContact CD2-CZ 3.54Å; H355-Y372 VanDerWaalsContact O-CB 3.25Å; H355-Y372 WeakPolarHBondContact O-CB 3.01Å; F370-Y372 HydrophobicContact CE1-CD2 4.06Å; F370-Y372 AromaticContact CZ-CD2 3.77Å; F370-Y372 HydrophobicContact CZ-CD2 3.77Å; F370-Y372 HydrophobicContact CZ-CG 4.35Å; Y372-P374 WeakPolarHBondContact CD1-O 3.3Å; Y372-P374 WeakPolarHBondContact CE1-O 3.4Å; Y372-Y376 HydrophobicContact CE1-CD2 4.17Å
373	F	83.9	Confident	66.3	Low	24 Å²	24	61 Å²	61	11%	0.105	33%	0.33	C	S	.	.			trans	-155	141.7	170.4	-173.2	-92.6	0	0	0	111.8	L328 G329 D330 F391 L394 W417	L328-F373 HydrophobicContact CD1-CB 3.87Å; G329-F373 CarbonylContact C-O 3.55Å; G329-F373 WeakPolarHBondContact CA-O 3.41Å; G329-F373 PolarHBondContact O-N 3.31Å; D330-F373 PolarHBondContact N-O 3.43Å; F373-F391 AromaticContact CD1-CD2 3.98Å; F373-F391 HydrophobicContact CD1-CD2 3.98Å; F373-F391 HydrophobicContact CD1-CE2 4.41Å; F373-F391 HydrophobicContact CD2-CD2 4.39Å; F373-F391 AromaticContact CE1-CD2 3.76Å; F373-F391 HydrophobicContact CE1-CD2 3.76Å; F373-F391 HydrophobicContact CE1-CE2 4.42Å; F373-F391 HydrophobicContact CE2-CB 4.11Å; F373-F391 HydrophobicContact CE2-CD2 4.19Å; F373-F391 HydrophobicContact CG-CD2 4.29Å; F373-F391 HydrophobicContact CZ-CB 4.06Å; F373-F391 AromaticContact CZ-CD2 3.87Å; F373-F391 HydrophobicContact CZ-CD2 3.87Å; F373-F391 HydrophobicContact CZ-CG 4.43Å; F373-L394 HydrophobicContact CB-CD1 4.4Å; F373-L394 HydrophobicContact CD2-CD1 3.59Å; F373-L394 HydrophobicContact CE2-CD1 4.39Å; F373-L394 HydrophobicContact CG-CD1 4.42Å; F373-W417 AromaticContact CD1-CD2 3.77Å; F373-W417 HydrophobicContact CD1-CD2 3.77Å; F373-W417 AromaticContact CD1-CE2 3.98Å; F373-W417 AromaticContact CD1-CE3 3.49Å; F373-W417 HydrophobicContact CD1-CE3 3.49Å; F373-W417 VanDerWaalsContact CD1-CE3 3.49Å; F373-W417 AromaticContact CD1-CH2 3.63Å; F373-W417 HydrophobicContact CD1-CH2 3.63Å; F373-W417 AromaticContact CD1-CZ2 3.92Å; F373-W417 HydrophobicContact CD1-CZ2 3.92Å; F373-W417 AromaticContact CD1-CZ3 3.41Å; F373-W417 HydrophobicContact CD1-CZ3 3.41Å; F373-W417 VanDerWaalsContact CD1-CZ3 3.41Å; F373-W417 AromaticContact CE1-CD2 3.95Å; F373-W417 HydrophobicContact CE1-CD2 3.95Å; F373-W417 AromaticContact CE1-CE3 3.37Å; F373-W417 HydrophobicContact CE1-CE3 3.37Å; F373-W417 HydrophobicContact CE1-CH2 4.24Å; F373-W417 AromaticContact CE1-CZ3 3.53Å; F373-W417 HydrophobicContact CE1-CZ3 3.53Å; F373-W417 PolarHBondContact O-NE1 2.83Å
374	P	75	Confident	66.3	Low	24 Å²	24	60 Å²	60	16%	0.156	32%	0.315	C	S	.	.	S	Bend	cis	-77.9	153.7	-5.7	34.3	-36.5	0	0	0	111.4	Y372 Y376 W417	Y372-P374 WeakPolarHBondContact CD1-O 3.3Å; Y372-P374 WeakPolarHBondContact CE1-O 3.4Å; P374-Y376 HydrophobicContact CG-CD1 4.21Å; P374-Y376 HydrophobicContact CG-CD2 4.22Å; P374-Y376 HydrophobicContact CG-CE1 3.6Å; P374-Y376 HydrophobicContact CG-CE2 3.61Å; P374-Y376 HydrophobicContact CG-CG 4.49Å; P374-Y376 WeakPolarHBondContact CG-OH 3.16Å; P374-Y376 VanDerWaalsContact O-CD2 3.29Å; P374-Y376 WeakPolarHBondContact O-CD2 2.85Å; P374-Y376 PolarHBondContact O-N 3.36Å; P374-Y376 VanDerWaalsContact O-N 3.1Å; P374-W417 HydrophobicContact CG-CB 4.06Å; P374-W417 HydrophobicContact CG-CG 4.24Å
375	D	70.3	Confident	66.2	Low	51 Å²	51	65.2 Å²	65.2	27%	0.273	32%	0.322	S	S	.	.			trans	-75.1	101	170.7	-174.8	-2.3	0	0	0	109.3	S377 S380	D375-S377 PolarHBondContact O-N 3.38Å; D375-S377 WeakPolarHBondContact OD1-CB 3.03Å; D375-S377 PolarHBondContact OD1-N 3.06Å; D375-S380 VanDerWaalsContact CG-CB 3.47Å; D375-S380 WeakPolarHBondContact OD2-CB 3.29Å
376	Y	62	Low	65.7	Low	118 Å²	118	67.8 Å²	67.8	46%	0.463	33%	0.333	S	S	.	.			trans	-76.2	-2.2	177.6	-62.9	-77.2	0	0	0	113.4	Y372 P374 I378 V415	Y372-Y376 HydrophobicContact CE1-CD2 4.17Å; P374-Y376 HydrophobicContact CG-CD1 4.21Å; P374-Y376 HydrophobicContact CG-CD2 4.22Å; P374-Y376 HydrophobicContact CG-CE1 3.6Å; P374-Y376 HydrophobicContact CG-CE2 3.61Å; P374-Y376 HydrophobicContact CG-CG 4.49Å; P374-Y376 WeakPolarHBondContact CG-OH 3.16Å; P374-Y376 VanDerWaalsContact O-CD2 3.29Å; P374-Y376 WeakPolarHBondContact O-CD2 2.85Å; P374-Y376 PolarHBondContact O-N 3.36Å; P374-Y376 VanDerWaalsContact O-N 3.1Å; Y376-I378 PolarHBondContact O-N 3.03Å; Y376-V415 PolarHBondContact OH-O 3.24Å
377	S	56.5	Low	64.7	Low	55 Å²	55	76.4 Å²	76.4	39%	0.385	37%	0.371	S	S	.	.			trans	-61.1	130.1	179.7	-173.7	0	0	0	0	110.9	D375 K379 S380 Q381	D375-S377 PolarHBondContact O-N 3.38Å; D375-S377 WeakPolarHBondContact OD1-CB 3.03Å; D375-S377 PolarHBondContact OD1-N 3.06Å; S377-K379 PolarHBondContact O-N 3.27Å; S377-K379 VanDerWaalsContact O-N 3.08Å; S377-S380 WeakPolarHBondContact O-CA 3.44Å; S377-S380 WeakPolarHBondContact O-CB 3.48Å; S377-S380 PolarHBondContact O-N 2.89Å; S377-Q381 PolarHBondContact O-N 3.18Å
378	I	47.5	Very low	63.5	Low	126 Å²	126	86.2 Å²	86.2	65%	0.646	41%	0.406	S	S	*	.	H	α-helix	trans	-52.3	-34.6	175.5	-63.4	170.4	0	0	0	110.9	Y376 S380 Q381 L382	Y376-I378 PolarHBondContact O-N 3.03Å; I378-S380 VanDerWaalsContact C-N 3.32Å; I378-S380 PolarHBondContact O-N 3.29Å; I378-Q381 PolarHBondContact O-N 2.79Å; I378-L382 HydrophobicContact CG2-CD1 4.01Å; I378-L382 WeakPolarHBondContact O-CG 3.32Å; I378-L382 PolarHBondContact O-N 3.05Å; I378-L382 VanDerWaalsContact O-N 3.13Å
379	K	47.8	Very low	62.6	Low	163 Å²	163	89.9 Å²	89.9	71%	0.709	43%	0.426	S	S	*	.	H	α-helix	trans	-65.9	-32.1	177.6	-70.8	-176.8	178.7	179.2	0	113.3	S377 N383	S377-K379 PolarHBondContact O-N 3.27Å; S377-K379 VanDerWaalsContact O-N 3.08Å; K379-N383 VanDerWaalsContact O-CB 3.32Å; K379-N383 WeakPolarHBondContact O-CB 3.37Å; K379-N383 PolarHBondContact O-N 3.08Å; K379-N383 PolarHBondContact O-ND2 2.75Å
380	S	48.5	Very low	62.2	Low	17 Å²	17	90.5 Å²	90.5	12%	0.119	44%	0.436	C	S	.	.	H	α-helix	trans	-71.8	-45.2	176.3	158	0	0	0	0	110.7	D375 S377 I378 L382 N383 N384	D375-S380 VanDerWaalsContact CG-CB 3.47Å; D375-S380 WeakPolarHBondContact OD2-CB 3.29Å; S377-S380 WeakPolarHBondContact O-CA 3.44Å; S377-S380 WeakPolarHBondContact O-CB 3.48Å; S377-S380 PolarHBondContact O-N 2.89Å; I378-S380 VanDerWaalsContact C-N 3.32Å; I378-S380 PolarHBondContact O-N 3.29Å; S380-L382 VanDerWaalsContact C-N 3.31Å; S380-L382 PolarHBondContact O-N 3.13Å; S380-N383 CarbonylContact O-C 3.51Å; S380-N383 PolarHBondContact O-N 3.18Å; S380-N384 PolarHBondContact O-N 3.2Å
381	Q	48.3	Very low	62.1	Low	119 Å²	119	90.9 Å²	90.9	56%	0.556	44%	0.438	S	S	*	.	H	α-helix	trans	-60.1	-40.8	178.2	-64	-172.9	-3.7	0	0	112.1	S377 I378 N383	S377-Q381 PolarHBondContact O-N 3.18Å; I378-Q381 PolarHBondContact O-N 2.79Å; Q381-N383 VanDerWaalsContact C-N 3.35Å
382	L	47.2	Very low	62	Low	140 Å²	140	94.3 Å²	94.3	73%	0.733	46%	0.456	S	S	*	.	H	α-helix	trans	-70.4	-28.1	175.9	-71.5	165.5	0	0	0	113.3	I378 S380	I378-L382 HydrophobicContact CG2-CD1 4.01Å; I378-L382 WeakPolarHBondContact O-CG 3.32Å; I378-L382 PolarHBondContact O-N 3.05Å; I378-L382 VanDerWaalsContact O-N 3.13Å; S380-L382 VanDerWaalsContact C-N 3.31Å; S380-L382 PolarHBondContact O-N 3.13Å
383	N	48.1	Very low	62	Low	103 Å²	103	94.3 Å²	94.3	55%	0.551	46%	0.463	S	S	*	.	T	Hydrogen-bonded Turn	trans	-105.3	30.3	-175.7	-74.5	-35.4	0	0	0	113.7	K379 S380 Q381 K385 N386	K379-N383 VanDerWaalsContact O-CB 3.32Å; K379-N383 WeakPolarHBondContact O-CB 3.37Å; K379-N383 PolarHBondContact O-N 3.08Å; K379-N383 PolarHBondContact O-ND2 2.75Å; S380-N383 CarbonylContact O-C 3.51Å; S380-N383 PolarHBondContact O-N 3.18Å; Q381-N383 VanDerWaalsContact C-N 3.35Å; N383-K385 PolarHBondContact O-N 3.36Å; N383-N386 PolarHBondContact O-N 3.1Å; N383-N386 VanDerWaalsContact O-N 3.11Å
384	N	48.2	Very low	62.1	Low	105 Å²	105	94 Å²	94	56%	0.561	46%	0.462	S	S	*	.	T	Hydrogen-bonded Turn	trans	-52.4	-4.1	-175.7	-117.1	-1.3	0	0	0	116.1	E55 S380	E55-N384 PolarHBondContact OE1-ND2 3.3Å; S380-N384 PolarHBondContact O-N 3.2Å
385	K	49.7	Very low	62.8	Low	199 Å²	199	92.9 Å²	92.9	87%	0.865	46%	0.455	S	S	*	.	T	Hydrogen-bonded Turn	trans	-74.7	-16.2	173.1	-66.8	-175.1	179.3	177.5	0	114.5	N383 K387	N383-K385 PolarHBondContact O-N 3.36Å; K385-K387 PolarHBondContact O-N 3.18Å
386	N	53.1	Low	63.7	Low	102 Å²	102	96.7 Å²	96.7	55%	0.545	47%	0.469	S	S	.	.			trans	-76.5	91.4	178.9	-83.9	-15.1	0	0	0	111.6	N383 R388 N389	N383-N386 PolarHBondContact O-N 3.1Å; N383-N386 VanDerWaalsContact O-N 3.11Å; N386-R388 PolarHBondContact O-N 3.35Å; N386-N389 PolarHBondContact O-N 2.92Å
387	K	54.8	Low	64.8	Low	185 Å²	185	93.2 Å²	93.2	80%	0.804	46%	0.462	S	S	*	.	G	3₁₀ helix	trans	-48.7	-26.7	174.9	-75	-175.6	-179.9	176.9	0	114.1	K385 N389 S390	K385-K387 PolarHBondContact O-N 3.18Å; K387-N389 PolarHBondContact O-N 3.41Å; K387-S390 VanDerWaalsContact O-CB 3.3Å; K387-S390 WeakPolarHBondContact O-CB 3.45Å; K387-S390 PolarHBondContact O-N 2.78Å; K387-S390 VanDerWaalsContact O-N 3.15Å; K387-S390 PolarHBondContact O-OG 2.02Å
388	R	56.1	Low	66.3	Low	216 Å²	216	90.7 Å²	90.7	82%	0.815	44%	0.444	S	S	*	.	G	3₁₀ helix	trans	-59.5	-32.8	174.6	-82.5	-172.9	-179.4	157.6	0.9	113.3	N386 S390	N386-R388 PolarHBondContact O-N 3.35Å; R388-S390 VanDerWaalsContact C-N 3.33Å
389	N	67.7	Low	68.3	Low	77 Å²	77	84.7 Å²	84.7	41%	0.412	41%	0.413	S	S	.	.	G	3₁₀ helix	trans	-89.3	-1.5	179.5	-64.7	7.8	0	0	0	112.5	N386 K387	N386-N389 PolarHBondContact O-N 2.92Å; K387-N389 PolarHBondContact O-N 3.41Å
390	S	80	Confident	70	Confident	51 Å²	51	82.4 Å²	82.4	36%	0.357	41%	0.406	S	S	.	.	S	Bend	trans	-65.9	150.1	170.5	73.3	0	0	0	0	110.3	K387 R388 N392 G393 L394	K387-S390 VanDerWaalsContact O-CB 3.3Å; K387-S390 WeakPolarHBondContact O-CB 3.45Å; K387-S390 PolarHBondContact O-N 2.78Å; K387-S390 VanDerWaalsContact O-N 3.15Å; K387-S390 PolarHBondContact O-OG 2.02Å; R388-S390 VanDerWaalsContact C-N 3.33Å; S390-N392 PolarHBondContact O-N 2.94Å; S390-G393 WeakPolarHBondContact O-CA 3.43Å; S390-G393 PolarHBondContact O-N 3.12Å; S390-G393 PolarHBondContact OG-N 3.13Å; S390-G393 VanDerWaalsContact OG-N 3.12Å; S390-L394 WeakPolarHBondContact O-CG 3.45Å; S390-L394 PolarHBondContact O-N 3.38Å
391	F	85.5	Confident	71.4	Confident	9 Å²	9	83 Å²	83	4%	0.039	41%	0.407	C	S	.	.	H	α-helix	trans	-49.3	-45.3	177.2	-179.1	-99.8	0	0	0	112.6	L328 F373 L394 L395 W417 H422 A425 I426	L328-F391 HydrophobicContact CD2-CD2 4.34Å; L328-F391 HydrophobicContact CD2-CE2 3.59Å; L328-F391 HydrophobicContact CD2-CZ 3.92Å; L328-F391 HydrophobicContact CG-CE2 4.39Å; F373-F391 AromaticContact CD1-CD2 3.98Å; F373-F391 HydrophobicContact CD1-CD2 3.98Å; F373-F391 HydrophobicContact CD1-CE2 4.41Å; F373-F391 HydrophobicContact CD2-CD2 4.39Å; F373-F391 AromaticContact CE1-CD2 3.76Å; F373-F391 HydrophobicContact CE1-CD2 3.76Å; F373-F391 HydrophobicContact CE1-CE2 4.42Å; F373-F391 HydrophobicContact CE2-CB 4.11Å; F373-F391 HydrophobicContact CE2-CD2 4.19Å; F373-F391 HydrophobicContact CG-CD2 4.29Å; F373-F391 HydrophobicContact CZ-CB 4.06Å; F373-F391 AromaticContact CZ-CD2 3.87Å; F373-F391 HydrophobicContact CZ-CD2 3.87Å; F373-F391 HydrophobicContact CZ-CG 4.43Å; F391-L394 PolarHBondContact O-N 2.96Å; F391-L395 HydrophobicContact CE1-CD2 4.44Å; F391-L395 WeakPolarHBondContact O-CB 3.37Å; F391-L395 PolarHBondContact O-N 3.38Å; F391-W417 HydrophobicContact CD2-CZ3 4.31Å; F391-W417 HydrophobicContact CE2-CH2 4.06Å; F391-W417 AromaticContact CE2-CZ3 3.78Å; F391-W417 HydrophobicContact CE2-CZ3 3.78Å; F391-H422 AromaticContact CD2-CD2 3.81Å; F391-H422 HydrophobicContact CE1-CB 4.31Å; F391-H422 HydrophobicContact CE2-CB 4.36Å; F391-H422 AromaticContact CG-CD2 3.86Å; F391-H422 HydrophobicContact CZ-CB 4.02Å; F391-A425 HydrophobicContact CD1-CB 4.05Å; F391-A425 HydrophobicContact CE1-CB 3.87Å; F391-I426 HydrophobicContact CE1-CG1 3.93Å; F391-I426 HydrophobicContact CZ-CD1 3.93Å; F391-I426 HydrophobicContact CZ-CG1 3.71Å
392	N	86.6	Confident	72.4	Confident	74 Å²	74	85.5 Å²	85.5	40%	0.396	42%	0.424	S	S	.	.	H	α-helix	trans	-67.9	-36.6	177.8	-69.2	-20.9	0	0	0	112.9	S390 K396	S390-N392 PolarHBondContact O-N 2.94Å; N392-K396 WeakPolarHBondContact O-CB 3.19Å; N392-K396 PolarHBondContact O-N 3.12Å
393	G	84.8	Confident	73.6	Confident	22 Å²	22	83.8 Å²	83.8	23%	0.227	41%	0.412	C	S	.	.	H	α-helix	trans	-64.1	-44.5	175.4	0	0	0	0	0	111.8	S390 K396 S397	S390-G393 WeakPolarHBondContact O-CA 3.43Å; S390-G393 PolarHBondContact O-N 3.12Å; S390-G393 PolarHBondContact OG-N 3.13Å; S390-G393 VanDerWaalsContact OG-N 3.12Å; G393-K396 PolarHBondContact O-N 3.42Å; G393-S397 PolarHBondContact O-N 3.03Å
394	L	87.1	Confident	74.7	Confident	19 Å²	19	85.4 Å²	85.4	10%	0.099	43%	0.426	C	S	.	.	H	α-helix	trans	-64.7	-46.4	176.2	-68.5	177	0	0	0	111.8	L328 T371 F373 S390 F391 K396 S397 L398	L328-L394 HydrophobicContact CD1-CB 4.49Å; T371-L394 HydrophobicContact CG2-CB 3.84Å; T371-L394 HydrophobicContact CG2-CD1 4.19Å; T371-L394 HydrophobicContact CG2-CD2 3.73Å; T371-L394 HydrophobicContact CG2-CG 4.11Å; F373-L394 HydrophobicContact CB-CD1 4.4Å; F373-L394 HydrophobicContact CD2-CD1 3.59Å; F373-L394 HydrophobicContact CE2-CD1 4.39Å; F373-L394 HydrophobicContact CG-CD1 4.42Å; S390-L394 WeakPolarHBondContact O-CG 3.45Å; S390-L394 PolarHBondContact O-N 3.38Å; F391-L394 PolarHBondContact O-N 2.96Å; L394-K396 VanDerWaalsContact C-N 3.32Å; L394-K396 PolarHBondContact O-N 3.36Å; L394-S397 PolarHBondContact O-N 2.84Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 PolarHBondContact O-N 2.63Å
395	L	89.4	Confident	76.1	Confident	0 Å²	0	81.5 Å²	81.5	0%	0	40%	0.404	C	S	.	.	H	α-helix	trans	-59	-43.6	175.5	-175.9	62.4	0	0	0	111.4	L328 F391 L398 F399 L410 I426 F429	L328-L395 HydrophobicContact CD2-CD1 4.12Å; F391-L395 HydrophobicContact CE1-CD2 4.44Å; F391-L395 WeakPolarHBondContact O-CB 3.37Å; F391-L395 PolarHBondContact O-N 3.38Å; L395-L398 PolarHBondContact O-N 1.99Å; L395-F399 HydrophobicContact CD1-CD2 4.14Å; L395-F399 HydrophobicContact CD1-CE2 3.72Å; L395-F399 VanDerWaalsContact O-CD2 3.29Å; L395-F399 WeakPolarHBondContact O-CD2 3.41Å; L395-F399 PolarHBondContact O-N 2.9Å; L395-L410 HydrophobicContact CD1-CD2 4.33Å; L395-I426 HydrophobicContact CD2-CG1 4.14Å; L395-F429 HydrophobicContact CD1-CD1 4.4Å; L395-F429 HydrophobicContact CD2-CB 3.53Å; L395-F429 HydrophobicContact CD2-CD1 3.79Å; L395-F429 HydrophobicContact CD2-CD2 4.07Å; L395-F429 HydrophobicContact CD2-CG 3.51Å; L395-F429 HydrophobicContact CG-CB 4.43Å; L395-F429 HydrophobicContact CG-CD1 3.81Å; L395-F429 HydrophobicContact CG-CD2 4.2Å; L395-F429 HydrophobicContact CG-CE1 4.1Å; L395-F429 HydrophobicContact CG-CE2 4.46Å; L395-F429 HydrophobicContact CG-CG 3.88Å; L395-F429 HydrophobicContact CG-CZ 4.42Å
396	K	88.4	Confident	77.6	Confident	131 Å²	131	77.2 Å²	77.2	57%	0.57	39%	0.391	S	S	*	.	H	α-helix	trans	-60.6	-48.4	175.1	-174.4	177	-179.6	178.8	0	111.5	N392 G393 L394 L398 F399 M400 F429	N392-K396 WeakPolarHBondContact O-CB 3.19Å; N392-K396 PolarHBondContact O-N 3.12Å; G393-K396 PolarHBondContact O-N 3.42Å; L394-K396 VanDerWaalsContact C-N 3.32Å; L394-K396 PolarHBondContact O-N 3.36Å; K396-L398 VanDerWaalsContact C-N 3.3Å; K396-L398 PolarHBondContact O-N 3.07Å; K396-F399 PolarHBondContact O-N 3.38Å; K396-M400 WeakPolarHBondContact O-CG 3.47Å; K396-M400 PolarHBondContact O-N 3.07Å; K396-F429 HydrophobicContact CB-CE2 4.04Å; K396-F429 HydrophobicContact CG-CE2 4.41Å
397	S	86.2	Confident	79.2	Confident	45 Å²	45	73.1 Å²	73.1	32%	0.315	37%	0.369	S	S	.	.	H	α-helix	trans	-59.2	-41.9	179.8	-167.7	0	0	0	0	112.1	Q357 G393 L394 F399 M400	Q357-S397 PolarHBondContact NE2-OG 2.97Å; Q357-S397 PolarHBondContact OE1-OG 3.22Å; G393-S397 PolarHBondContact O-N 3.03Å; L394-S397 PolarHBondContact O-N 2.84Å; S397-F399 PolarHBondContact O-N 3.1Å; S397-M400 WeakPolarHBondContact O-CB 3.19Å; S397-M400 PolarHBondContact O-N 2.92Å; S397-M400 VanDerWaalsContact O-N 3.08Å
398	L	88.5	Confident	80.9	Confident	1 Å²	1	64.3 Å²	64.3	1%	0.005	33%	0.33	C	S	.	.	H	α-helix	trans	-56.6	-36.1	179.9	-173.7	62.2	0	0	0	112.1	L326 L328 R369 L394 L395 K396 F401 L410	L326-L398 HydrophobicContact CB-CD1 4.33Å; L326-L398 HydrophobicContact CB-CD2 3.96Å; L326-L398 HydrophobicContact CB-CG 4.03Å; L326-L398 HydrophobicContact CD1-CG 4.49Å; L326-L398 HydrophobicContact CD2-CD1 4.24Å; L326-L398 HydrophobicContact CD2-CG 4.18Å; L326-L398 HydrophobicContact CG-CG 4.47Å; L328-L398 HydrophobicContact CB-CD2 3.95Å; R369-L398 HydrophobicContact CB-CD1 3.58Å; R369-L398 PolarHBondContact NH1-O 2.82Å; L394-L398 WeakPolarHBondContact O-CB 3.44Å; L394-L398 PolarHBondContact O-N 2.63Å; L395-L398 PolarHBondContact O-N 1.99Å; K396-L398 VanDerWaalsContact C-N 3.3Å; K396-L398 PolarHBondContact O-N 3.07Å; L398-F401 WeakPolarHBondContact O-CE2 3.05Å; L398-F401 WeakPolarHBondContact O-CZ 3.28Å; L398-L410 HydrophobicContact CD2-CD1 3.84Å
399	F	88.6	Confident	82.5	Confident	1 Å²	1	54.1 Å²	54.1	0%	0.004	29%	0.292	C	S	.	.	T	Hydrogen-bonded Turn	trans	-89.1	1.5	-178.4	-80.1	-110.3	0	0	0	114.8	L326 L395 K396 S397 F401 L410 F429 Q433 F436 V439	L326-F399 HydrophobicContact CD1-CD1 4.12Å; L326-F399 HydrophobicContact CD1-CD2 3.87Å; L326-F399 HydrophobicContact CD1-CE1 3.8Å; L326-F399 HydrophobicContact CD1-CE2 3.57Å; L326-F399 HydrophobicContact CD1-CG 4.13Å; L326-F399 HydrophobicContact CD1-CZ 3.51Å; L395-F399 HydrophobicContact CD1-CD2 4.14Å; L395-F399 HydrophobicContact CD1-CE2 3.72Å; L395-F399 VanDerWaalsContact O-CD2 3.29Å; L395-F399 WeakPolarHBondContact O-CD2 3.41Å; L395-F399 PolarHBondContact O-N 2.9Å; K396-F399 PolarHBondContact O-N 3.38Å; S397-F399 PolarHBondContact O-N 3.1Å; F399-F401 WeakPolarHBondContact O-CD2 3.04Å; F399-F401 PolarHBondContact O-N 3.39Å; F399-F401 VanDerWaalsContact O-N 3.12Å; F399-L410 HydrophobicContact CE2-CD1 4.15Å; F399-L410 HydrophobicContact CE2-CD2 4.15Å; F399-L410 HydrophobicContact CZ-CD1 4.48Å; F399-L410 HydrophobicContact CZ-CD2 4.05Å; F399-F429 HydrophobicContact CB-CE1 4.01Å; F399-F429 HydrophobicContact CB-CZ 3.9Å; F399-F429 AromaticContact CD1-CE1 3.8Å; F399-F429 HydrophobicContact CD1-CE1 3.8Å; F399-F429 AromaticContact CD2-CE1 3.64Å; F399-F429 HydrophobicContact CD2-CE1 3.64Å; F399-F429 HydrophobicContact CD2-CZ 4.19Å; F399-F429 HydrophobicContact CE1-CE1 4.19Å; F399-F429 HydrophobicContact CE2-CE1 4.02Å; F399-F429 AromaticContact CG-CE1 3.54Å; F399-F429 HydrophobicContact CG-CE1 3.54Å; F399-F429 AromaticContact CG-CZ 3.96Å; F399-F429 HydrophobicContact CG-CZ 3.96Å; F399-F429 HydrophobicContact CZ-CE1 4.29Å; F399-Q433 HydrophobicContact CD1-CG 4.34Å; F399-F436 AromaticContact CD1-CD2 3.82Å; F399-F436 HydrophobicContact CD1-CD2 3.82Å; F399-F436 AromaticContact CD1-CE2 3.39Å; F399-F436 HydrophobicContact CD1-CE2 3.39Å; F399-F436 AromaticContact CE1-CD2 3.83Å; F399-F436 HydrophobicContact CE1-CD2 3.83Å; F399-F436 AromaticContact CE1-CE2 3.7Å; F399-F436 HydrophobicContact CE1-CE2 3.7Å; F399-F436 HydrophobicContact CG-CE2 4.35Å; F399-V439 HydrophobicContact CE1-CG1 4.39Å; F399-V439 HydrophobicContact CE1-CG2 4.17Å; F399-V439 HydrophobicContact CZ-CG1 4.24Å
400	M	84.2	Confident	83.7	Confident	114 Å²	114	50.4 Å²	50.4	56%	0.562	27%	0.272	S	S	*	.			trans	-82.2	84.8	-178.1	-73.7	-66.4	-63.4	0	0	112.6	R369 K396 S397	R369-M400 PolarHBondContact NH1-O 3.35Å; R369-M400 PolarHBondContact NH2-O 3.02Å; K396-M400 WeakPolarHBondContact O-CG 3.47Å; K396-M400 PolarHBondContact O-N 3.07Å; S397-M400 WeakPolarHBondContact O-CB 3.19Å; S397-M400 PolarHBondContact O-N 2.92Å; S397-M400 VanDerWaalsContact O-N 3.08Å
401	F	76.7	Confident	84.2	Confident	29 Å²	29	48.2 Å²	48.2	13%	0.127	26%	0.256	C	S	.	.			trans	-103.2	144.2	178.8	-68.4	-85.5	0	0	0	112.7	V324 L326 T367 R369 L398 F399 Q403 F405 F436	V324-F401 HydrophobicContact CG2-CE1 3.73Å; V324-F401 HydrophobicContact CG2-CE2 4.12Å; V324-F401 HydrophobicContact CG2-CZ 3.47Å; V324-F401 VanDerWaalsContact CG2-CZ 3.47Å; L326-F401 HydrophobicContact CD1-CE2 4.5Å; L326-F401 HydrophobicContact CD2-CE2 3.56Å; L326-F401 HydrophobicContact CD2-CZ 3.36Å; T367-F401 HydrophobicContact CG2-CD1 4.49Å; T367-F401 HydrophobicContact CG2-CE1 3.91Å; R369-F401 HydrophobicContact CB-CZ 4.43Å; R369-F401 VanDerWaalsContact CD-CZ 3.41Å; R369-F401 HydrophobicContact CG-CE1 3.87Å; R369-F401 HydrophobicContact CG-CZ 3.75Å; L398-F401 WeakPolarHBondContact O-CE2 3.05Å; L398-F401 WeakPolarHBondContact O-CZ 3.28Å; F399-F401 WeakPolarHBondContact O-CD2 3.04Å; F399-F401 PolarHBondContact O-N 3.39Å; F399-F401 VanDerWaalsContact O-N 3.12Å; F401-Q403 VanDerWaalsContact C-N 3.34Å; F401-Q403 WeakPolarHBondContact CB-O 3.33Å; F401-F405 HydrophobicContact CB-CD2 4.49Å; F401-F405 HydrophobicContact CB-CE2 4.08Å; F401-F405 HydrophobicContact CD1-CD2 4.47Å; F401-F405 AromaticContact CD1-CE2 3.63Å; F401-F405 HydrophobicContact CD1-CE2 3.63Å; F401-F405 HydrophobicContact CD1-CZ 4.34Å; F401-F405 HydrophobicContact CE1-CE2 4.27Å; F401-F405 HydrophobicContact CG-CD2 4.34Å; F401-F405 AromaticContact CG-CE2 3.87Å; F401-F405 HydrophobicContact CG-CE2 3.87Å; F401-F436 AromaticContact CD2-CZ 3.79Å; F401-F436 HydrophobicContact CD2-CZ 3.79Å; F401-F436 HydrophobicContact CE2-CZ 4.08Å
402	N	69.8	Low	84.4	Confident	172 Å²	172	47.8 Å²	47.8	92%	0.92	25%	0.254	S	S	*	.	S	Bend	trans	-84.3	-14.3	168.4	-66.2	-5.3	0	0	0	112.1
403	Q	71.4	Confident	84.3	Confident	104 Å²	104	44.3 Å²	44.3	49%	0.486	24%	0.236	S	C	.	.	S	Bend	trans	-107.3	148.3	-178.8	-66.8	175.8	-1.1	0	0	110.1	F401 F405	F401-Q403 VanDerWaalsContact C-N 3.34Å; F401-Q403 WeakPolarHBondContact CB-O 3.33Å; Q403-F405 HydrophobicContact CB-CE2 3.8Å; Q403-F405 HydrophobicContact CB-CZ 3.97Å; Q403-F405 WeakPolarHBondContact O-CD2 3.5Å
404	T	71.7	Confident	83.5	Confident	137 Å²	137	43.3 Å²	43.3	84%	0.84	23%	0.225	S	C	*	.			trans	-85.1	129.5	173.8	53.6	0	0	0	0	110.1
405	F	78.4	Confident	82.4	Confident	23 Å²	23	44 Å²	44	10%	0.101	23%	0.231	C	C	.	.			trans	-119.9	152.2	170.1	-55.1	-94.1	0	0	0	109.5	V324 T367 F401 Q403 F436	V324-F405 HydrophobicContact CB-CB 4.39Å; V324-F405 HydrophobicContact CB-CD1 3.93Å; V324-F405 HydrophobicContact CB-CD2 4.08Å; V324-F405 HydrophobicContact CB-CE1 4.22Å; V324-F405 HydrophobicContact CB-CE2 4.36Å; V324-F405 HydrophobicContact CB-CG 3.86Å; V324-F405 HydrophobicContact CB-CZ 4.44Å; V324-F405 HydrophobicContact CG1-CB 4.21Å; V324-F405 HydrophobicContact CG1-CD2 4.22Å; V324-F405 HydrophobicContact CG1-CG 4.1Å; T367-F405 HydrophobicContact CG2-CE1 4.25Å; T367-F405 HydrophobicContact CG2-CZ 3.73Å; F401-F405 HydrophobicContact CB-CD2 4.49Å; F401-F405 HydrophobicContact CB-CE2 4.08Å; F401-F405 HydrophobicContact CD1-CD2 4.47Å; F401-F405 AromaticContact CD1-CE2 3.63Å; F401-F405 HydrophobicContact CD1-CE2 3.63Å; F401-F405 HydrophobicContact CD1-CZ 4.34Å; F401-F405 HydrophobicContact CE1-CE2 4.27Å; F401-F405 HydrophobicContact CG-CD2 4.34Å; F401-F405 AromaticContact CG-CE2 3.87Å; F401-F405 HydrophobicContact CG-CE2 3.87Å; Q403-F405 HydrophobicContact CB-CE2 3.8Å; Q403-F405 HydrophobicContact CB-CZ 3.97Å; Q403-F405 WeakPolarHBondContact O-CD2 3.5Å; F405-F436 HydrophobicContact CB-CD1 4.08Å; F405-F436 HydrophobicContact CB-CE1 3.75Å; F405-F436 AromaticContact CD2-CE1 3.97Å; F405-F436 HydrophobicContact CD2-CE1 3.97Å; F405-F436 HydrophobicContact CG-CE1 4.29Å
406	N	80.6	Confident	81.5	Confident	110 Å²	110	48 Å²	48	59%	0.588	25%	0.246	S	C	*	.	S	Bend	trans	-74.2	-42.4	179	-71.5	-17.3	0	0	0	110.9	S322 R437	S322-N406 PolarHBondContact O-N 3.28Å; N406-R437 VanDerWaalsContact O-CB 3.27Å; N406-R437 WeakPolarHBondContact O-CB 3.5Å; N406-R437 PolarHBondContact O-N 3.35Å
407	E	87.8	Confident	81	Confident	16 Å²	16	42.7 Å²	42.7	8%	0.075	22%	0.222	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-142.7	142.2	-172.2	174.8	164.5	-128.3	0	0	110.8	R323 V324 L409 S438 K440	R323-E407 WeakPolarHBondContact CA-O 3.23Å; R323-E407 HydrophobicContact CG-CB 4.27Å; R323-E407 IonicContact CZ-OE2 3.17Å; R323-E407 IonicContact NE-OE2 2.69Å; R323-E407 PolarHBondContact NE-OE2 2.82Å; R323-E407 IonicContact NH2-OE2 2.8Å; R323-E407 PolarHBondContact NH2-OE2 3.05Å; V324-E407 PolarHBondContact N-O 3.16Å; E407-L409 HydrophobicContact CG-CD2 4.09Å; E407-S438 WeakPolarHBondContact CA-O 3.34Å; E407-S438 VanDerWaalsContact CD-OG 3.25Å; E407-S438 WeakPolarHBondContact CG-OG 3.43Å; E407-S438 PolarHBondContact OE1-OG 2.76Å; E407-K440 WeakPolarHBondContact OE1-CD 3.34Å; E407-K440 WeakPolarHBondContact OE1-CE 3.37Å; E407-K440 WeakPolarHBondContact OE1-CG 3.36Å
408	A	90.2	Very high	80.8	Confident	0 Å²	0	40.6 Å²	40.6	0%	0	21%	0.207	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.4	134.8	172.3	0	0	0	0	0	110.7	V324 L326 F436 S438 V439 K440	V324-A408 HydrophobicContact CG1-CB 3.65Å; V324-A408 WeakPolarHBondContact O-CA 3.41Å; L326-A408 HydrophobicContact CD1-CB 3.96Å; A408-F436 HydrophobicContact CB-CD1 4.27Å; A408-F436 HydrophobicContact CB-CD2 3.58Å; A408-F436 HydrophobicContact CB-CE1 4.41Å; A408-F436 HydrophobicContact CB-CE2 3.68Å; A408-F436 HydrophobicContact CB-CG 3.89Å; A408-F436 HydrophobicContact CB-CZ 4.12Å; A408-S438 PolarHBondContact N-O 3.27Å; A408-S438 VanDerWaalsContact N-O 3.09Å; A408-V439 HydrophobicContact CB-CG1 4.37Å; A408-V439 HydrophobicContact CB-CG2 4.34Å; A408-V439 CarbonylContact O-C 3.58Å; A408-V439 WeakPolarHBondContact O-CA 3.41Å; A408-K440 PolarHBondContact O-N 3.04Å
409	L	90.1	Very high	80.6	Confident	1 Å²	1	42.7 Å²	42.7	1%	0.005	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.3	103	172.5	-52.3	-174	0	0	0	107.8	Y319 L320 V324 L325 L326 E407 F411 K440 Y442 I498	Y319-L409 HydrophobicContact CE1-CD1 3.79Å; L320-L409 HydrophobicContact CD2-CD1 3.96Å; V324-L409 PolarHBondContact O-N 3.13Å; L325-L409 HydrophobicContact CD2-CB 3.84Å; L325-L409 HydrophobicContact CD2-CD1 3.69Å; L325-L409 HydrophobicContact CD2-CG 4.14Å; L326-L409 PolarHBondContact N-O 2.88Å; E407-L409 HydrophobicContact CG-CD2 4.09Å; L409-F411 HydrophobicContact CB-CE2 3.74Å; L409-F411 HydrophobicContact CB-CZ 4.36Å; L409-F411 WeakPolarHBondContact O-CD2 3.41Å; L409-K440 HydrophobicContact CD2-CB 3.85Å; L409-K440 HydrophobicContact CD2-CD 3.91Å; L409-K440 HydrophobicContact CD2-CG 4.24Å; L409-Y442 HydrophobicContact CB-CE2 4.02Å; L409-Y442 HydrophobicContact CD2-CE2 4.15Å; L409-I498 HydrophobicContact CD1-CD1 4.44Å
410	L	92.3	Very high	80.5	Confident	0 Å²	0	44 Å²	44	0%	0	23%	0.228	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.2	111.4	-176.4	176.7	63.6	0	0	0	110.7	L326 L395 L398 F399 V412 I426 I430 V439 K440 V441 Y442	L326-L410 HydrophobicContact CB-CD1 3.77Å; L326-L410 CarbonylContact O-C 3.47Å; L326-L410 WeakPolarHBondContact O-CA 3.42Å; L395-L410 HydrophobicContact CD1-CD2 4.33Å; L398-L410 HydrophobicContact CD2-CD1 3.84Å; F399-L410 HydrophobicContact CE2-CD1 4.15Å; F399-L410 HydrophobicContact CE2-CD2 4.15Å; F399-L410 HydrophobicContact CZ-CD1 4.48Å; F399-L410 HydrophobicContact CZ-CD2 4.05Å; L410-V412 HydrophobicContact CD1-CG2 3.83Å; L410-V412 HydrophobicContact CD2-CG2 3.91Å; L410-V412 HydrophobicContact CG-CG2 3.61Å; L410-I426 HydrophobicContact CD2-CG2 3.84Å; L410-I430 HydrophobicContact CD2-CD1 4.45Å; L410-V439 HydrophobicContact CB-CG1 4.11Å; L410-K440 PolarHBondContact N-O 2.84Å; L410-V441 HydrophobicContact CB-CG2 4.47Å; L410-V441 HydrophobicContact CD2-CG1 4.44Å; L410-V441 HydrophobicContact CD2-CG2 4.32Å; L410-V441 CarbonylContact O-C 3.51Å; L410-V441 WeakPolarHBondContact O-CA 3.48Å; L410-Y442 PolarHBondContact O-N 3.44Å
411	F	91	Very high	80.7	Confident	5 Å²	5	44.9 Å²	44.9	2%	0.022	23%	0.226	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.6	120.9	174	-60.6	-94.7	0	0	0	109.4	L325 L326 F327 L328 L409 Y442 I498 I499 L502	L325-F411 HydrophobicContact CD2-CE2 4.07Å; L326-F411 PolarHBondContact O-N 3.33Å; F327-F411 CarbonylContact C-O 3.21Å; F327-F411 WeakPolarHBondContact CA-O 3Å; F327-F411 HydrophobicContact CD1-CB 3.56Å; F327-F411 HydrophobicContact CD1-CD2 4.05Å; F327-F411 AromaticContact CD1-CG 3.92Å; F327-F411 HydrophobicContact CD1-CG 3.92Å; F327-F411 HydrophobicContact CE1-CB 3.87Å; F327-F411 HydrophobicContact CE1-CD1 4.33Å; F327-F411 AromaticContact CE1-CD2 3.67Å; F327-F411 HydrophobicContact CE1-CD2 3.67Å; F327-F411 HydrophobicContact CE1-CE2 4.34Å; F327-F411 AromaticContact CE1-CG 3.68Å; F327-F411 HydrophobicContact CE1-CG 3.68Å; F327-F411 HydrophobicContact CE2-CD2 4.44Å; F327-F411 HydrophobicContact CG-CB 4.31Å; F327-F411 AromaticContact CZ-CD2 3.89Å; F327-F411 HydrophobicContact CZ-CD2 3.89Å; F327-F411 HydrophobicContact CZ-CE2 4.23Å; F327-F411 HydrophobicContact CZ-CG 4.36Å; L328-F411 PolarHBondContact N-O 2.75Å; L409-F411 HydrophobicContact CB-CE2 3.74Å; L409-F411 HydrophobicContact CB-CZ 4.36Å; L409-F411 WeakPolarHBondContact O-CD2 3.41Å; F411-Y442 CarbonylContact C-O 3.36Å; F411-Y442 WeakPolarHBondContact CA-O 3.33Å; F411-Y442 AromaticContact CD1-CD2 3.95Å; F411-Y442 HydrophobicContact CD1-CD2 3.95Å; F411-Y442 AromaticContact CD1-CG 3.99Å; F411-Y442 HydrophobicContact CD1-CG 3.99Å; F411-Y442 HydrophobicContact CD2-CD2 4.37Å; F411-Y442 AromaticContact CE1-CD2 3.54Å; F411-Y442 HydrophobicContact CE1-CD2 3.54Å; F411-Y442 HydrophobicContact CE1-CE2 4.28Å; F411-Y442 AromaticContact CE1-CG 3.73Å; F411-Y442 HydrophobicContact CE1-CG 3.73Å; F411-Y442 AromaticContact CE2-CD2 3.99Å; F411-Y442 HydrophobicContact CE2-CD2 3.99Å; F411-Y442 HydrophobicContact CE2-CE2 4.45Å; F411-Y442 HydrophobicContact CG-CD2 4.34Å; F411-Y442 AromaticContact CZ-CD2 3.56Å; F411-Y442 HydrophobicContact CZ-CD2 3.56Å; F411-Y442 AromaticContact CZ-CE2 3.96Å; F411-Y442 HydrophobicContact CZ-CE2 3.96Å; F411-Y442 HydrophobicContact CZ-CG 4.23Å; F411-I498 HydrophobicContact CZ-CG2 4.15Å; F411-I499 HydrophobicContact CE1-CG1 4.45Å; F411-L502 HydrophobicContact CE1-CD1 3.91Å; F411-L502 HydrophobicContact CZ-CD1 4.15Å
412	V	89	Confident	81.3	Confident	0 Å²	0	44.4 Å²	44.4	0%	0	22%	0.224	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.9	135.3	-177.2	-179.3	0	0	0	0	110.3	L328 L410 W417 L418 I426 Y442 I443 K444	L328-V412 HydrophobicContact CB-CG2 4.13Å; L328-V412 WeakPolarHBondContact O-CA 2.96Å; L410-V412 HydrophobicContact CD1-CG2 3.83Å; L410-V412 HydrophobicContact CD2-CG2 3.91Å; L410-V412 HydrophobicContact CG-CG2 3.61Å; V412-W417 HydrophobicContact CG1-CH2 3.66Å; V412-W417 HydrophobicContact CG1-CZ2 4.33Å; V412-L418 HydrophobicContact CG1-CD1 3.83Å; V412-I426 HydrophobicContact CB-CD1 4.24Å; V412-I426 HydrophobicContact CG1-CD1 3.9Å; V412-I426 HydrophobicContact CG2-CD1 3.88Å; V412-Y442 PolarHBondContact N-O 3.39Å; V412-I443 HydrophobicContact CB-CD1 3.88Å; V412-I443 HydrophobicContact CG1-CD1 4.48Å; V412-I443 WeakPolarHBondContact O-CA 3.32Å; V412-K444 PolarHBondContact O-N 2.78Å
413	G	83.3	Confident	82.4	Confident	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.18	C	C	.	.	E	Extended strand (participates in β ladder)	trans	148.7	-164.1	171.4	0	0	0	0	0	113.9	L328 G329 L333 W417 K444	L328-G413 PolarHBondContact O-N 3.14Å; L328-G413 VanDerWaalsContact O-N 3.15Å; G329-G413 WeakPolarHBondContact CA-O 2.74Å; L333-G413 VanDerWaalsContact CD1-N 3.34Å; G413-W417 WeakPolarHBondContact O-CZ2 3.41Å; G413-W417 PolarHBondContact O-NE1 3.31Å; G413-K444 WeakPolarHBondContact CA-O 3.44Å
414	G	69.5	Low	83.4	Confident	1 Å²	1	36.8 Å²	36.8	1%	0.01	18%	0.181	C	C	.	.			trans	142	-176.4	-168.1	0	0	0	0	0	110.9	D330 R416	D330-G414 WeakPolarHBondContact OD2-CA 3.26Å; G414-R416 PolarHBondContact O-N 2.95Å
415	V	64.5	Low	84.3	Confident	35 Å²	35	31 Å²	31	21%	0.212	15%	0.146	C	C	.	.	S	Bend	trans	-76	111.1	-173.2	-172.8	0	0	0	0	109.3	D330 Y376 W417 F450	D330-V415 PolarHBondContact OD2-N 2.94Å; Y376-V415 PolarHBondContact OH-O 3.24Å; V415-W417 VanDerWaalsContact C-N 3.34Å; V415-W417 PolarHBondContact O-N 2.77Å; V415-W417 VanDerWaalsContact O-N 3.13Å; V415-F450 HydrophobicContact CB-CD2 4.42Å; V415-F450 HydrophobicContact CB-CE2 4.45Å; V415-F450 HydrophobicContact CG1-CD2 4.1Å; V415-F450 HydrophobicContact CG2-CD2 3.38Å; V415-F450 HydrophobicContact CG2-CE2 3.2Å; V415-F450 HydrophobicContact CG2-CG 4.49Å; V415-F450 HydrophobicContact CG2-CZ 4.23Å
416	R	69.2	Low	85	Confident	84 Å²	84	29.9 Å²	29.9	32%	0.317	14%	0.142	S	C	.	.	S	Bend	trans	70.6	7.9	156.5	-56.7	176.2	82.6	-176.3	12.1	119.8	G414 Y446 R464 E468	G414-R416 PolarHBondContact O-N 2.95Å; R416-Y446 WeakPolarHBondContact CA-OH 3.41Å; R416-Y446 HydrophobicContact CB-CD1 4.41Å; R416-Y446 HydrophobicContact CB-CE1 3.86Å; R416-Y446 HydrophobicContact CG-CD1 3.83Å; R416-Y446 HydrophobicContact CG-CE1 3.75Å; R416-Y446 PolarHBondContact O-OH 2.9Å; R416-R464 VanDerWaalsContact NH2-CZ 3.31Å; R416-E468 IonicContact CZ-OE1 3.43Å; R416-E468 IonicContact NE-OE1 3.48Å; R416-E468 PolarHBondContact NE-OE1 2.7Å; R416-E468 IonicContact NH2-OE1 2.77Å; R416-E468 PolarHBondContact NH2-OE1 2.94Å
417	W	77.9	Confident	85.7	Confident	19 Å²	19	26.1 Å²	26.1	7%	0.072	12%	0.121	C	C	.	.			trans	-102.4	-30.1	176.9	63	-96.6	0	0	0	114.5	F373 P374 F391 V412 G413 V415 H422 Y446 R471	F373-W417 AromaticContact CD1-CD2 3.77Å; F373-W417 HydrophobicContact CD1-CD2 3.77Å; F373-W417 AromaticContact CD1-CE2 3.98Å; F373-W417 AromaticContact CD1-CE3 3.49Å; F373-W417 HydrophobicContact CD1-CE3 3.49Å; F373-W417 VanDerWaalsContact CD1-CE3 3.49Å; F373-W417 AromaticContact CD1-CH2 3.63Å; F373-W417 HydrophobicContact CD1-CH2 3.63Å; F373-W417 AromaticContact CD1-CZ2 3.92Å; F373-W417 HydrophobicContact CD1-CZ2 3.92Å; F373-W417 AromaticContact CD1-CZ3 3.41Å; F373-W417 HydrophobicContact CD1-CZ3 3.41Å; F373-W417 VanDerWaalsContact CD1-CZ3 3.41Å; F373-W417 AromaticContact CE1-CD2 3.95Å; F373-W417 HydrophobicContact CE1-CD2 3.95Å; F373-W417 AromaticContact CE1-CE3 3.37Å; F373-W417 HydrophobicContact CE1-CE3 3.37Å; F373-W417 HydrophobicContact CE1-CH2 4.24Å; F373-W417 AromaticContact CE1-CZ3 3.53Å; F373-W417 HydrophobicContact CE1-CZ3 3.53Å; F373-W417 PolarHBondContact O-NE1 2.83Å; P374-W417 HydrophobicContact CG-CB 4.06Å; P374-W417 HydrophobicContact CG-CG 4.24Å; F391-W417 HydrophobicContact CD2-CZ3 4.31Å; F391-W417 HydrophobicContact CE2-CH2 4.06Å; F391-W417 AromaticContact CE2-CZ3 3.78Å; F391-W417 HydrophobicContact CE2-CZ3 3.78Å; V412-W417 HydrophobicContact CG1-CH2 3.66Å; V412-W417 HydrophobicContact CG1-CZ2 4.33Å; G413-W417 WeakPolarHBondContact O-CZ2 3.41Å; G413-W417 PolarHBondContact O-NE1 3.31Å; V415-W417 VanDerWaalsContact C-N 3.34Å; V415-W417 PolarHBondContact O-N 2.77Å; V415-W417 VanDerWaalsContact O-N 3.13Å; W417-H422 AromaticContact CE3-CE1 3.89Å; W417-H422 AromaticContact CE3-ND1 3.8Å; W417-H422 HydrophobicContact CZ3-CB 4.38Å; W417-H422 PolarHBondContact O-CE1 3.49Å; W417-H422 PolarHBondContact O-ND1 3.12Å; W417-Y446 PolarHBondContact N-OH 2.96Å; W417-R471 PolarHBondContact O-NH2 2.95Å
418	L	83	Confident	85.9	Confident	1 Å²	1	29 Å²	29	1%	0.005	14%	0.139	C	C	.	.			trans	-68.5	135.1	-171.4	-163.6	69.6	0	0	0	112.4	V412 H422 L423 I443 Y446 R471 L475	V412-L418 HydrophobicContact CG1-CD1 3.83Å; L418-H422 HydrophobicContact CD1-CB 3.67Å; L418-L423 HydrophobicContact CD1-CD1 3.74Å; L418-L423 HydrophobicContact CD2-CD1 3.78Å; L418-L423 HydrophobicContact CG-CD1 3.55Å; L418-I443 HydrophobicContact CD2-CD1 4.4Å; L418-I443 HydrophobicContact CD2-CG2 3.36Å; L418-Y446 WeakPolarHBondContact O-CE2 3.38Å; L418-Y446 PolarHBondContact O-OH 3.36Å; L418-R471 PolarHBondContact O-NE 3.13Å; L418-R471 PolarHBondContact O-NH2 3.31Å; L418-L475 HydrophobicContact CD2-CD1 4.48Å
419	N	84.4	Confident	85.9	Confident	44 Å²	44	30.9 Å²	30.9	24%	0.235	15%	0.147	C	C	.	.			trans	-152.2	178.7	-176.4	61.7	38.6	0	0	0	111	Y421 H422 L423	N419-Y421 PolarHBondContact O-N 2.84Å; N419-Y421 WeakPolarHBondContact OD1-CA 3.26Å; N419-Y421 VanDerWaalsContact OD1-CB 3.3Å; N419-Y421 WeakPolarHBondContact OD1-CB 3.39Å; N419-Y421 PolarHBondContact OD1-N 2.66Å; N419-H422 VanDerWaalsContact CG-ND1 3.28Å; N419-H422 PolarHBondContact N-ND1 3.13Å; N419-H422 PolarHBondContact ND2-CE1 3.14Å; N419-H422 VanDerWaalsContact ND2-CE1 3.34Å; N419-H422 PolarHBondContact ND2-ND1 2.82Å; N419-H422 PolarHBondContact O-N 3.16Å; N419-H422 VanDerWaalsContact O-N 3.12Å; N419-H422 PolarHBondContact OD1-N 3.23Å; N419-H422 VanDerWaalsContact OD1-N 3.08Å; N419-H422 PolarHBondContact OD1-ND1 3.47Å; N419-L423 WeakPolarHBondContact O-CD1 2.86Å; N419-L423 PolarHBondContact O-N 2.03Å; N419-L423 VanDerWaalsContact O-N 3.15Å
420	S	85.3	Confident	86	Confident	29 Å²	29	32 Å²	32	20%	0.203	15%	0.153	C	C	.	.	H	α-helix	trans	-59.4	-31.1	-179.5	51.6	0	0	0	0	114.6	K424 L478	S420-K424 WeakPolarHBondContact O-CB 3.5Å; S420-K424 VanDerWaalsContact O-CG 3.25Å; S420-K424 WeakPolarHBondContact O-CG 3.36Å; S420-K424 PolarHBondContact O-N 3.22Å; S420-L478 VanDerWaalsContact CB-CD1 3.43Å
421	Y	88.9	Confident	85.8	Confident	133 Å²	133	37.3 Å²	37.3	52%	0.522	18%	0.182	S	C	.	.	H	α-helix	trans	-64.5	-46.8	175.4	161.7	-90.3	0	0	0	110.7	N419 L423 K424 A425	N419-Y421 PolarHBondContact O-N 2.84Å; N419-Y421 WeakPolarHBondContact OD1-CA 3.26Å; N419-Y421 VanDerWaalsContact OD1-CB 3.3Å; N419-Y421 WeakPolarHBondContact OD1-CB 3.39Å; N419-Y421 PolarHBondContact OD1-N 2.66Å; Y421-L423 PolarHBondContact O-N 2.77Å; Y421-K424 PolarHBondContact O-N 2.93Å; Y421-A425 WeakPolarHBondContact O-CB 3.48Å; Y421-A425 PolarHBondContact O-N 2.93Å
422	H	90.2	Very high	85.7	Confident	19 Å²	19	44.9 Å²	44.9	9%	0.088	21%	0.214	C	C	.	.	H	α-helix	trans	-61.5	-45.2	178.6	-59.4	123.6	0	0	0	112.1	F391 W417 L418 N419 K424 A425 I426	F391-H422 AromaticContact CD2-CD2 3.81Å; F391-H422 HydrophobicContact CE1-CB 4.31Å; F391-H422 HydrophobicContact CE2-CB 4.36Å; F391-H422 AromaticContact CG-CD2 3.86Å; F391-H422 HydrophobicContact CZ-CB 4.02Å; W417-H422 AromaticContact CE3-CE1 3.89Å; W417-H422 AromaticContact CE3-ND1 3.8Å; W417-H422 HydrophobicContact CZ3-CB 4.38Å; W417-H422 PolarHBondContact O-CE1 3.49Å; W417-H422 PolarHBondContact O-ND1 3.12Å; L418-H422 HydrophobicContact CD1-CB 3.67Å; N419-H422 VanDerWaalsContact CG-ND1 3.28Å; N419-H422 PolarHBondContact N-ND1 3.13Å; N419-H422 PolarHBondContact ND2-CE1 3.14Å; N419-H422 VanDerWaalsContact ND2-CE1 3.34Å; N419-H422 PolarHBondContact ND2-ND1 2.82Å; N419-H422 PolarHBondContact O-N 3.16Å; N419-H422 VanDerWaalsContact O-N 3.12Å; N419-H422 PolarHBondContact OD1-N 3.23Å; N419-H422 VanDerWaalsContact OD1-N 3.08Å; N419-H422 PolarHBondContact OD1-ND1 3.47Å; H422-K424 PolarHBondContact O-N 3.01Å; H422-A425 PolarHBondContact O-N 3.08Å; H422-I426 VanDerWaalsContact O-CG1 3.3Å; H422-I426 WeakPolarHBondContact O-CG1 3.41Å; H422-I426 PolarHBondContact O-N 3.34Å
423	L	91.2	Very high	85.3	Confident	0 Å²	0	47.2 Å²	47.2	0%	0	23%	0.225	C	C	.	.	H	α-helix	trans	-61	-46.7	177.7	-85.9	57.1	0	0	0	111.1	L418 N419 Y421 A425 I426 Q427 L475 L478 T479 Y482 W484	L418-L423 HydrophobicContact CD1-CD1 3.74Å; L418-L423 HydrophobicContact CD2-CD1 3.78Å; L418-L423 HydrophobicContact CG-CD1 3.55Å; N419-L423 WeakPolarHBondContact O-CD1 2.86Å; N419-L423 PolarHBondContact O-N 2.03Å; N419-L423 VanDerWaalsContact O-N 3.15Å; Y421-L423 PolarHBondContact O-N 2.77Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 3.1Å; L423-I426 PolarHBondContact O-N 3.08Å; L423-Q427 PolarHBondContact O-N 2.88Å; L423-L475 HydrophobicContact CD1-CD2 3.74Å; L423-L475 HydrophobicContact CD2-CB 4.48Å; L423-L475 HydrophobicContact CD2-CD2 3.58Å; L423-L475 HydrophobicContact CG-CD2 4.32Å; L423-L478 HydrophobicContact CD2-CB 3.79Å; L423-L478 HydrophobicContact CD2-CD1 4.23Å; L423-T479 HydrophobicContact CD2-CG2 4.08Å; L423-Y482 HydrophobicContact CB-CE2 4.24Å; L423-W484 HydrophobicContact CB-CZ3 4.18Å; L423-W484 HydrophobicContact CG-CZ3 4.03Å; L423-W484 VanDerWaalsContact O-CH2 3.3Å; L423-W484 WeakPolarHBondContact O-CH2 3.45Å
424	K	92.4	Very high	84.9	Confident	116 Å²	116	56.7 Å²	56.7	50%	0.504	27%	0.266	S	S	.	.	H	α-helix	trans	-60.5	-42.2	175.7	-75.5	174.8	178.2	-165	0	112.3	S420 Y421 H422 I426 Q427 V428 Y482	S420-K424 WeakPolarHBondContact O-CB 3.5Å; S420-K424 VanDerWaalsContact O-CG 3.25Å; S420-K424 WeakPolarHBondContact O-CG 3.36Å; S420-K424 PolarHBondContact O-N 3.22Å; Y421-K424 PolarHBondContact O-N 2.93Å; H422-K424 PolarHBondContact O-N 3.01Å; K424-I426 VanDerWaalsContact C-N 3.35Å; K424-I426 PolarHBondContact O-N 3.26Å; K424-Q427 PolarHBondContact O-N 3.5Å; K424-V428 WeakPolarHBondContact O-CB 3.09Å; K424-V428 VanDerWaalsContact O-CG2 3.32Å; K424-V428 WeakPolarHBondContact O-CG2 3.32Å; K424-V428 PolarHBondContact O-N 3.26Å; K424-Y482 VanDerWaalsContact CG-OH 3.27Å; K424-Y482 WeakPolarHBondContact CG-OH 3.26Å
425	A	91.2	Very high	85.2	Confident	14 Å²	14	60.3 Å²	60.3	12%	0.116	29%	0.285	C	S	.	.	H	α-helix	trans	-62.9	-41.1	178.4	0	0	0	0	0	112.1	F391 Y421 H422 L423 F429	F391-A425 HydrophobicContact CD1-CB 4.05Å; F391-A425 HydrophobicContact CE1-CB 3.87Å; Y421-A425 WeakPolarHBondContact O-CB 3.48Å; Y421-A425 PolarHBondContact O-N 2.93Å; H422-A425 PolarHBondContact O-N 3.08Å; L423-A425 VanDerWaalsContact C-N 3.34Å; L423-A425 PolarHBondContact O-N 3.1Å; A425-F429 VanDerWaalsContact O-CB 3.3Å; A425-F429 WeakPolarHBondContact O-CB 3.4Å; A425-F429 PolarHBondContact O-N 3.13Å
426	I	93.6	Very high	86	Confident	0 Å²	0	59.4 Å²	59.4	0%	0	28%	0.278	C	S	.	.	H	α-helix	trans	-62.9	-47.5	174	-64.9	161.5	0	0	0	110.7	F391 L395 L410 V412 H422 L423 K424 V428 F429 I430 V441 W484	F391-I426 HydrophobicContact CE1-CG1 3.93Å; F391-I426 HydrophobicContact CZ-CD1 3.93Å; F391-I426 HydrophobicContact CZ-CG1 3.71Å; L395-I426 HydrophobicContact CD2-CG1 4.14Å; L410-I426 HydrophobicContact CD2-CG2 3.84Å; V412-I426 HydrophobicContact CB-CD1 4.24Å; V412-I426 HydrophobicContact CG1-CD1 3.9Å; V412-I426 HydrophobicContact CG2-CD1 3.88Å; H422-I426 VanDerWaalsContact O-CG1 3.3Å; H422-I426 WeakPolarHBondContact O-CG1 3.41Å; H422-I426 PolarHBondContact O-N 3.34Å; L423-I426 PolarHBondContact O-N 3.08Å; K424-I426 VanDerWaalsContact C-N 3.35Å; K424-I426 PolarHBondContact O-N 3.26Å; I426-V428 PolarHBondContact O-N 3.29Å; I426-F429 WeakPolarHBondContact O-CB 3.24Å; I426-F429 PolarHBondContact O-N 3.25Å; I426-F429 VanDerWaalsContact O-N 3.15Å; I426-I430 HydrophobicContact CG2-CD1 3.6Å; I426-I430 HydrophobicContact CG2-CG1 4.25Å; I426-I430 WeakPolarHBondContact O-CG1 3.07Å; I426-I430 PolarHBondContact O-N 2.75Å; I426-V441 HydrophobicContact CG2-CG2 4.5Å; I426-W484 HydrophobicContact CB-CH2 3.73Å; I426-W484 HydrophobicContact CB-CZ3 4.41Å; I426-W484 HydrophobicContact CG2-CH2 3.54Å; I426-W484 HydrophobicContact CG2-CZ2 3.94Å; I426-W484 HydrophobicContact CG2-CZ3 4.27Å
427	Q	93.8	Very high	86.6	Confident	32 Å²	32	66.7 Å²	66.7	15%	0.15	31%	0.305	C	S	.	.	H	α-helix	trans	-59.2	-50.9	-179.6	-177.1	59.7	40.1	0	0	111.1	L423 K424 F429 I430 D431 Y482 W484	L423-Q427 PolarHBondContact O-N 2.88Å; K424-Q427 PolarHBondContact O-N 3.5Å; Q427-F429 PolarHBondContact O-N 3.21Å; Q427-I430 PolarHBondContact O-N 3.17Å; Q427-I430 VanDerWaalsContact O-N 3.14Å; Q427-D431 PolarHBondContact NE2-OD1 3.06Å; Q427-D431 PolarHBondContact NE2-OD2 3Å; Q427-D431 VanDerWaalsContact O-CG 3.26Å; Q427-D431 PolarHBondContact O-N 3.37Å; Q427-Y482 HydrophobicContact CB-CD2 4.25Å; Q427-Y482 HydrophobicContact CB-CE1 4.37Å; Q427-Y482 HydrophobicContact CB-CE2 4.06Å; Q427-Y482 HydrophobicContact CB-CG 4.49Å; Q427-Y482 HydrophobicContact CG-CD1 3.93Å; Q427-Y482 HydrophobicContact CG-CD2 4.48Å; Q427-Y482 HydrophobicContact CG-CE1 3.92Å; Q427-Y482 HydrophobicContact CG-CE2 4.45Å; Q427-Y482 HydrophobicContact CG-CG 4.23Å; Q427-W484 HydrophobicContact CB-CH2 4.01Å; Q427-W484 HydrophobicContact CB-CZ2 3.86Å
428	V	92.7	Very high	87	Confident	75 Å²	75	68 Å²	68	46%	0.455	32%	0.318	S	S	.	.	H	α-helix	trans	-58.8	-36	176.7	171.1	0	0	0	0	112	K424 I426 K432	K424-V428 WeakPolarHBondContact O-CB 3.09Å; K424-V428 VanDerWaalsContact O-CG2 3.32Å; K424-V428 WeakPolarHBondContact O-CG2 3.32Å; K424-V428 PolarHBondContact O-N 3.26Å; I426-V428 PolarHBondContact O-N 3.29Å; V428-K432 HydrophobicContact CG1-CD 4.27Å; V428-K432 WeakPolarHBondContact O-CG 3.32Å; V428-K432 PolarHBondContact O-N 3.44Å
429	F	91.4	Very high	87.4	Confident	40 Å²	40	69.4 Å²	69.4	18%	0.175	33%	0.326	C	S	.	.	H	α-helix	trans	-68.6	-46	176.8	179.8	-89.4	0	0	0	111.8	L395 K396 F399 A425 I426 Q427 K432 Q433	L395-F429 HydrophobicContact CD1-CD1 4.4Å; L395-F429 HydrophobicContact CD2-CB 3.53Å; L395-F429 HydrophobicContact CD2-CD1 3.79Å; L395-F429 HydrophobicContact CD2-CD2 4.07Å; L395-F429 HydrophobicContact CD2-CG 3.51Å; L395-F429 HydrophobicContact CG-CB 4.43Å; L395-F429 HydrophobicContact CG-CD1 3.81Å; L395-F429 HydrophobicContact CG-CD2 4.2Å; L395-F429 HydrophobicContact CG-CE1 4.1Å; L395-F429 HydrophobicContact CG-CE2 4.46Å; L395-F429 HydrophobicContact CG-CG 3.88Å; L395-F429 HydrophobicContact CG-CZ 4.42Å; K396-F429 HydrophobicContact CB-CE2 4.04Å; K396-F429 HydrophobicContact CG-CE2 4.41Å; F399-F429 HydrophobicContact CB-CE1 4.01Å; F399-F429 HydrophobicContact CB-CZ 3.9Å; F399-F429 AromaticContact CD1-CE1 3.8Å; F399-F429 HydrophobicContact CD1-CE1 3.8Å; F399-F429 AromaticContact CD2-CE1 3.64Å; F399-F429 HydrophobicContact CD2-CE1 3.64Å; F399-F429 HydrophobicContact CD2-CZ 4.19Å; F399-F429 HydrophobicContact CE1-CE1 4.19Å; F399-F429 HydrophobicContact CE2-CE1 4.02Å; F399-F429 AromaticContact CG-CE1 3.54Å; F399-F429 HydrophobicContact CG-CE1 3.54Å; F399-F429 AromaticContact CG-CZ 3.96Å; F399-F429 HydrophobicContact CG-CZ 3.96Å; F399-F429 HydrophobicContact CZ-CE1 4.29Å; A425-F429 VanDerWaalsContact O-CB 3.3Å; A425-F429 WeakPolarHBondContact O-CB 3.4Å; A425-F429 PolarHBondContact O-N 3.13Å; I426-F429 WeakPolarHBondContact O-CB 3.24Å; I426-F429 PolarHBondContact O-N 3.25Å; I426-F429 VanDerWaalsContact O-N 3.15Å; Q427-F429 PolarHBondContact O-N 3.21Å; F429-K432 PolarHBondContact O-N 3.3Å; F429-Q433 WeakPolarHBondContact O-CB 3.37Å; F429-Q433 PolarHBondContact O-N 3Å; F429-Q433 VanDerWaalsContact O-N 3.08Å
430	I	90.8	Very high	87.6	Confident	26 Å²	26	70.4 Å²	70.4	13%	0.133	33%	0.329	C	S	.	.	H	α-helix	trans	-62.9	-45.4	179	-69.9	171.8	0	0	0	110.6	L410 I426 Q427 K432 Q433 V439 V441 W484	L410-I430 HydrophobicContact CD2-CD1 4.45Å; I426-I430 HydrophobicContact CG2-CD1 3.6Å; I426-I430 HydrophobicContact CG2-CG1 4.25Å; I426-I430 WeakPolarHBondContact O-CG1 3.07Å; I426-I430 PolarHBondContact O-N 2.75Å; Q427-I430 PolarHBondContact O-N 3.17Å; Q427-I430 VanDerWaalsContact O-N 3.14Å; I430-K432 PolarHBondContact O-N 2.8Å; I430-Q433 PolarHBondContact O-N 2.7Å; I430-V439 HydrophobicContact CD1-CB 4.21Å; I430-V439 HydrophobicContact CD1-CG1 3.79Å; I430-V439 HydrophobicContact CG1-CB 4.38Å; I430-V439 HydrophobicContact CG1-CG1 4.19Å; I430-V439 HydrophobicContact CG2-CB 4.09Å; I430-V439 HydrophobicContact CG2-CG2 4.24Å; I430-V441 HydrophobicContact CD1-CG2 3.3Å; I430-W484 HydrophobicContact CD1-CZ2 4.29Å
431	D	88.8	Confident	87.9	Confident	111 Å²	111	69.2 Å²	69.2	59%	0.594	32%	0.32	S	S	*	.	H	α-helix	trans	-60.8	-31.2	-179.8	-68.4	-26.8	0	0	0	112.8	Q427	Q427-D431 PolarHBondContact NE2-OD1 3.06Å; Q427-D431 PolarHBondContact NE2-OD2 3Å; Q427-D431 VanDerWaalsContact O-CG 3.26Å; Q427-D431 PolarHBondContact O-N 3.37Å
432	K	87.8	Confident	87.8	Confident	163 Å²	163	63 Å²	63	71%	0.709	30%	0.295	S	S	*	.	H	α-helix	trans	-84.8	-19.5	177	-70.8	178.3	-178.5	-179.1	0	113.1	V428 F429 I430	V428-K432 HydrophobicContact CG1-CD 4.27Å; V428-K432 WeakPolarHBondContact O-CG 3.32Å; V428-K432 PolarHBondContact O-N 3.44Å; F429-K432 PolarHBondContact O-N 3.3Å; I430-K432 PolarHBondContact O-N 2.8Å
433	Q	80.5	Confident	87.5	Confident	50 Å²	50	62.1 Å²	62.1	23%	0.234	29%	0.291	C	S	.	.			trans	-82.8	129.3	-173.9	-177.9	63.2	-59	0	0	110.9	F399 F429 I430 I435	F399-Q433 HydrophobicContact CD1-CG 4.34Å; F429-Q433 WeakPolarHBondContact O-CB 3.37Å; F429-Q433 PolarHBondContact O-N 3Å; F429-Q433 VanDerWaalsContact O-N 3.08Å; I430-Q433 PolarHBondContact O-N 2.7Å; Q433-I435 HydrophobicContact CG-CB 4.27Å; Q433-I435 HydrophobicContact CG-CG1 4.47Å
434	K	75.6	Confident	87	Confident	198 Å²	198	62.6 Å²	62.6	86%	0.861	29%	0.293	S	S	*	.			trans	-112.6	6	-179.6	-60.9	-171	179.4	-174.9	0	114.1
435	I	75.7	Confident	85.9	Confident	77 Å²	77	57.1 Å²	57.1	40%	0.395	27%	0.27	S	S	.	.	S	Bend	trans	-75	-37.6	-174.2	-63.7	178.8	0	0	0	112.3	Q433	Q433-I435 HydrophobicContact CG-CB 4.27Å; Q433-I435 HydrophobicContact CG-CG1 4.47Å
436	F	82.5	Confident	84.6	Confident	16 Å²	16	56.7 Å²	56.7	7%	0.07	27%	0.265	C	S	.	.	S	Bend	trans	-107.3	145.3	-178.4	-58.7	-59.6	0	0	0	110.4	V324 L326 F399 F401 F405 A408 S438 V439	V324-F436 HydrophobicContact CG1-CE1 3.79Å; V324-F436 HydrophobicContact CG1-CE2 4.47Å; V324-F436 HydrophobicContact CG1-CZ 3.71Å; L326-F436 HydrophobicContact CD1-CE2 4.46Å; F399-F436 AromaticContact CD1-CD2 3.82Å; F399-F436 HydrophobicContact CD1-CD2 3.82Å; F399-F436 AromaticContact CD1-CE2 3.39Å; F399-F436 HydrophobicContact CD1-CE2 3.39Å; F399-F436 AromaticContact CE1-CD2 3.83Å; F399-F436 HydrophobicContact CE1-CD2 3.83Å; F399-F436 AromaticContact CE1-CE2 3.7Å; F399-F436 HydrophobicContact CE1-CE2 3.7Å; F399-F436 HydrophobicContact CG-CE2 4.35Å; F401-F436 AromaticContact CD2-CZ 3.79Å; F401-F436 HydrophobicContact CD2-CZ 3.79Å; F401-F436 HydrophobicContact CE2-CZ 4.08Å; F405-F436 HydrophobicContact CB-CD1 4.08Å; F405-F436 HydrophobicContact CB-CE1 3.75Å; F405-F436 AromaticContact CD2-CE1 3.97Å; F405-F436 HydrophobicContact CD2-CE1 3.97Å; F405-F436 HydrophobicContact CG-CE1 4.29Å; A408-F436 HydrophobicContact CB-CD1 4.27Å; A408-F436 HydrophobicContact CB-CD2 3.58Å; A408-F436 HydrophobicContact CB-CE1 4.41Å; A408-F436 HydrophobicContact CB-CE2 3.68Å; A408-F436 HydrophobicContact CB-CG 3.89Å; A408-F436 HydrophobicContact CB-CZ 4.12Å; F436-S438 VanDerWaalsContact C-N 3.29Å; F436-V439 HydrophobicContact CB-CG2 4.14Å; F436-V439 HydrophobicContact CD2-CG2 4.15Å
437	R	81.6	Confident	82.8	Confident	237 Å²	237	57.3 Å²	57.3	89%	0.894	27%	0.27	S	S	*	.	S	Bend	trans	-66.9	-36.2	174.4	-174.8	-179.9	177.6	167.9	0.4	111.1	N406	N406-R437 VanDerWaalsContact O-CB 3.27Å; N406-R437 WeakPolarHBondContact O-CB 3.5Å; N406-R437 PolarHBondContact O-N 3.35Å
438	S	86.7	Confident	80.6	Confident	47 Å²	47	56.2 Å²	56.2	33%	0.329	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-145.3	150.7	173.5	56.9	0	0	0	0	111.1	E407 A408 F436	E407-S438 WeakPolarHBondContact CA-O 3.34Å; E407-S438 VanDerWaalsContact CD-OG 3.25Å; E407-S438 WeakPolarHBondContact CG-OG 3.43Å; E407-S438 PolarHBondContact OE1-OG 2.76Å; A408-S438 PolarHBondContact N-O 3.27Å; A408-S438 VanDerWaalsContact N-O 3.09Å; F436-S438 VanDerWaalsContact C-N 3.29Å
439	V	89.6	Confident	78.6	Confident	30 Å²	30	53.9 Å²	53.9	18%	0.182	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.9	116	169.1	-175.9	0	0	0	0	107.4	F399 A408 L410 I430 F436 V441	F399-V439 HydrophobicContact CE1-CG1 4.39Å; F399-V439 HydrophobicContact CE1-CG2 4.17Å; F399-V439 HydrophobicContact CZ-CG1 4.24Å; A408-V439 HydrophobicContact CB-CG1 4.37Å; A408-V439 HydrophobicContact CB-CG2 4.34Å; A408-V439 CarbonylContact O-C 3.58Å; A408-V439 WeakPolarHBondContact O-CA 3.41Å; L410-V439 HydrophobicContact CB-CG1 4.11Å; I430-V439 HydrophobicContact CD1-CB 4.21Å; I430-V439 HydrophobicContact CD1-CG1 3.79Å; I430-V439 HydrophobicContact CG1-CB 4.38Å; I430-V439 HydrophobicContact CG1-CG1 4.19Å; I430-V439 HydrophobicContact CG2-CB 4.09Å; I430-V439 HydrophobicContact CG2-CG2 4.24Å; F436-V439 HydrophobicContact CB-CG2 4.14Å; F436-V439 HydrophobicContact CD2-CG2 4.15Å; V439-V441 HydrophobicContact CG1-CG2 4.15Å
440	K	89.7	Confident	76.8	Confident	66 Å²	66	57 Å²	57	29%	0.287	27%	0.271	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.3	125	170.1	-68.3	-176.3	179.3	-175.7	0	108.7	Y319 E407 A408 L409 L410 Y442 D496	Y319-K440 PolarHBondContact OH-NZ 2.87Å; E407-K440 WeakPolarHBondContact OE1-CD 3.34Å; E407-K440 WeakPolarHBondContact OE1-CE 3.37Å; E407-K440 WeakPolarHBondContact OE1-CG 3.36Å; A408-K440 PolarHBondContact O-N 3.04Å; L409-K440 HydrophobicContact CD2-CB 3.85Å; L409-K440 HydrophobicContact CD2-CD 3.91Å; L409-K440 HydrophobicContact CD2-CG 4.24Å; L410-K440 PolarHBondContact N-O 2.84Å; K440-Y442 HydrophobicContact CB-CE2 3.87Å; K440-Y442 WeakPolarHBondContact CD-OH 3.22Å; K440-D496 IonicContact NZ-OD1 2.92Å; K440-D496 PolarHBondContact NZ-OD1 2.96Å
441	V	90.6	Very high	75.1	Confident	3 Å²	3	56.4 Å²	56.4	2%	0.018	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.1	130	-178.7	-172.8	0	0	0	0	109.8	L410 I426 I430 V439 I443 W484 S485	L410-V441 HydrophobicContact CB-CG2 4.47Å; L410-V441 HydrophobicContact CD2-CG1 4.44Å; L410-V441 HydrophobicContact CD2-CG2 4.32Å; L410-V441 CarbonylContact O-C 3.51Å; L410-V441 WeakPolarHBondContact O-CA 3.48Å; I426-V441 HydrophobicContact CG2-CG2 4.5Å; I430-V441 HydrophobicContact CD1-CG2 3.3Å; V439-V441 HydrophobicContact CG1-CG2 4.15Å; V441-I443 HydrophobicContact CG1-CD1 3.76Å; V441-I443 HydrophobicContact CG1-CG1 4.33Å; V441-W484 HydrophobicContact CB-CB 4.23Å; V441-W484 HydrophobicContact CB-CD2 3.64Å; V441-W484 HydrophobicContact CB-CE3 4.12Å; V441-W484 HydrophobicContact CB-CG 3.67Å; V441-W484 HydrophobicContact CG1-CD2 3.78Å; V441-W484 HydrophobicContact CG1-CE3 3.71Å; V441-W484 HydrophobicContact CG1-CG 4.23Å; V441-W484 HydrophobicContact CG1-CZ3 4.1Å; V441-W484 HydrophobicContact CG2-CD2 4.09Å; V441-W484 HydrophobicContact CG2-CG 4.33Å; V441-W484 HydrophobicContact CG2-CZ2 4.14Å; V441-S485 PolarHBondContact O-N 3.07Å
442	Y	87.3	Confident	73.6	Confident	3 Å²	3	51.7 Å²	51.7	1%	0.012	24%	0.242	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.7	113.9	178.1	-58.5	-70.2	0	0	0	108.7	L409 L410 F411 V412 K440 S485 D496 I499	L409-Y442 HydrophobicContact CB-CE2 4.02Å; L409-Y442 HydrophobicContact CD2-CE2 4.15Å; L410-Y442 PolarHBondContact O-N 3.44Å; F411-Y442 CarbonylContact C-O 3.36Å; F411-Y442 WeakPolarHBondContact CA-O 3.33Å; F411-Y442 AromaticContact CD1-CD2 3.95Å; F411-Y442 HydrophobicContact CD1-CD2 3.95Å; F411-Y442 AromaticContact CD1-CG 3.99Å; F411-Y442 HydrophobicContact CD1-CG 3.99Å; F411-Y442 HydrophobicContact CD2-CD2 4.37Å; F411-Y442 AromaticContact CE1-CD2 3.54Å; F411-Y442 HydrophobicContact CE1-CD2 3.54Å; F411-Y442 HydrophobicContact CE1-CE2 4.28Å; F411-Y442 AromaticContact CE1-CG 3.73Å; F411-Y442 HydrophobicContact CE1-CG 3.73Å; F411-Y442 AromaticContact CE2-CD2 3.99Å; F411-Y442 HydrophobicContact CE2-CD2 3.99Å; F411-Y442 HydrophobicContact CE2-CE2 4.45Å; F411-Y442 HydrophobicContact CG-CD2 4.34Å; F411-Y442 AromaticContact CZ-CD2 3.56Å; F411-Y442 HydrophobicContact CZ-CD2 3.56Å; F411-Y442 AromaticContact CZ-CE2 3.96Å; F411-Y442 HydrophobicContact CZ-CE2 3.96Å; F411-Y442 HydrophobicContact CZ-CG 4.23Å; V412-Y442 PolarHBondContact N-O 3.39Å; K440-Y442 HydrophobicContact CB-CE2 3.87Å; K440-Y442 WeakPolarHBondContact CD-OH 3.22Å; Y442-S485 CarbonylContact C-O 3.56Å; Y442-S485 WeakPolarHBondContact CA-O 3.39Å; Y442-S485 VanDerWaalsContact CD1-CB 3.41Å; Y442-D496 WeakPolarHBondContact CE1-OD2 3.43Å; Y442-D496 PolarHBondContact OH-OD2 2.8Å; Y442-I499 HydrophobicContact CD1-CD1 3.08Å; Y442-I499 HydrophobicContact CD1-CG1 3.67Å; Y442-I499 HydrophobicContact CE1-CD1 3.28Å; Y442-I499 HydrophobicContact CE1-CG1 3.83Å; Y442-I499 HydrophobicContact CG-CD1 4.08Å; Y442-I499 HydrophobicContact CG-CG1 4.27Å
443	I	84.9	Confident	72.2	Confident	0 Å²	0	45.3 Å²	45.3	0%	0	22%	0.218	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94.5	121.5	177.3	-60.6	-52.4	0	0	0	109	V412 L418 V441 T479 W484 S485 L486 S487	V412-I443 HydrophobicContact CB-CD1 3.88Å; V412-I443 HydrophobicContact CG1-CD1 4.48Å; V412-I443 WeakPolarHBondContact O-CA 3.32Å; L418-I443 HydrophobicContact CD2-CD1 4.4Å; L418-I443 HydrophobicContact CD2-CG2 3.36Å; V441-I443 HydrophobicContact CG1-CD1 3.76Å; V441-I443 HydrophobicContact CG1-CG1 4.33Å; I443-T479 HydrophobicContact CB-CG2 4Å; I443-T479 HydrophobicContact CG1-CG2 3.62Å; I443-T479 HydrophobicContact CG2-CG2 4.41Å; I443-W484 HydrophobicContact CD1-CE3 4.15Å; I443-W484 HydrophobicContact CD1-CZ3 4.31Å; I443-W484 HydrophobicContact CG1-CE3 4.01Å; I443-S485 PolarHBondContact N-O 3.18Å; I443-L486 HydrophobicContact CB-CD1 3.92Å; I443-L486 HydrophobicContact CG2-CD1 3.87Å; I443-S487 PolarHBondContact O-N 2.92Å; I443-S487 PolarHBondContact O-OG 2.87Å
444	K	79	Confident	71	Confident	10 Å²	10	45.2 Å²	45.2	4%	0.043	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-84.4	105.7	159.4	-179.9	172.8	-174.8	-80.6	0	107.1	T332 L333 V412 G413	T332-K444 HydrophobicContact CG2-CD 3.85Å; L333-K444 HydrophobicContact CD2-CB 4.21Å; L333-K444 HydrophobicContact CD2-CD 3.93Å; V412-K444 PolarHBondContact O-N 2.78Å; G413-K444 WeakPolarHBondContact CA-O 3.44Å
445	D	70.3	Confident	70	Confident	1 Å²	1	39.2 Å²	39.2	1%	0.005	20%	0.197	C	C	.	.			trans	-69	-170.4	173.8	55.5	50.1	0	0	0	112.1	H202 S447 L486	H202-D445 IonicContact CE1-OD1 2.96Å; H202-D445 IonicContact CE1-OD2 3.38Å; H202-D445 PolarHBondContact CE1-OD2 2.87Å; H202-D445 IonicContact NE2-OD1 3.79Å; H202-D445 PolarHBondContact NE2-OD1 2.75Å; H202-D445 IonicContact NE2-OD2 3.47Å; H202-D445 PolarHBondContact NE2-OD2 3.02Å; H202-D445 VanDerWaalsContact NE2-OD2 3.13Å; D445-S447 PolarHBondContact O-N 2.66Å; D445-S447 WeakPolarHBondContact OD1-CA 3.28Å; D445-S447 PolarHBondContact OD1-N 3.38Å; D445-S447 PolarHBondContact OD1-OG 3.08Å; D445-L486 HydrophobicContact CB-CD1 3.96Å; D445-L486 HydrophobicContact CB-CG 4.45Å; D445-L486 VanDerWaalsContact OD2-CD2 3.32Å; D445-L486 WeakPolarHBondContact OD2-CD2 3.26Å; D445-L486 VanDerWaalsContact OD2-CG 3.31Å; D445-L486 WeakPolarHBondContact OD2-CG 3.45Å
446	Y	64.2	Low	68.7	Low	6 Å²	6	37 Å²	37	2%	0.024	19%	0.194	C	C	.	.	S	Bend	trans	-71.4	72.5	166.2	-56.1	-124.8	0	0	0	107.4	L201 R416 W417 L418 E468 R471 N472 L475	L201-Y446 WeakPolarHBondContact CB-O 3.46Å; L201-Y446 VanDerWaalsContact CD1-O 3.26Å; L201-Y446 WeakPolarHBondContact CD1-O 3.49Å; R416-Y446 WeakPolarHBondContact CA-OH 3.41Å; R416-Y446 HydrophobicContact CB-CD1 4.41Å; R416-Y446 HydrophobicContact CB-CE1 3.86Å; R416-Y446 HydrophobicContact CG-CD1 3.83Å; R416-Y446 HydrophobicContact CG-CE1 3.75Å; R416-Y446 PolarHBondContact O-OH 2.9Å; W417-Y446 PolarHBondContact N-OH 2.96Å; L418-Y446 WeakPolarHBondContact O-CE2 3.38Å; L418-Y446 PolarHBondContact O-OH 3.36Å; Y446-E468 WeakPolarHBondContact CD1-OE2 3.19Å; Y446-E468 WeakPolarHBondContact CE1-OE2 3.36Å; Y446-R471 HydrophobicContact CE2-CG 4.33Å; Y446-R471 PolarHBondContact OH-NE 3.16Å; Y446-R471 PolarHBondContact OH-NH2 2.8Å; Y446-N472 WeakPolarHBondContact CB-OD1 3.43Å; Y446-N472 WeakPolarHBondContact CD2-OD1 3.06Å; Y446-N472 PolarHBondContact N-OD1 3.11Å; Y446-N472 PolarHBondContact O-ND2 2.86Å; Y446-L475 HydrophobicContact CD2-CD1 3.83Å; Y446-L475 HydrophobicContact CE2-CD1 3.67Å
447	S	54.6	Low	67.4	Low	13 Å²	13	39.3 Å²	39.3	9%	0.091	21%	0.207	C	C	.	.			trans	-75.1	149.5	172.1	-54.4	0	0	0	0	108.3	D445	D445-S447 PolarHBondContact O-N 2.66Å; D445-S447 WeakPolarHBondContact OD1-CA 3.28Å; D445-S447 PolarHBondContact OD1-N 3.38Å; D445-S447 PolarHBondContact OD1-OG 3.08Å
448	A	48.7	Very low	66.2	Low	8 Å²	8	31.1 Å²	31.1	7%	0.066	18%	0.18	C	C	.	.	S	Bend	trans	-77.1	173.2	179.7	0	0	0	0	0	113.5	Q198 C200	Q198-A448 WeakPolarHBondContact O-CB 3.35Å; C200-A448 HydrophobicContact CB-CB 4.18Å
449	G	50.7	Low	65.1	Low	26 Å²	26	34 Å²	34	27%	0.268	19%	0.187	S	C	.	.	S	Bend	trans	142.2	-66.3	-159.2	0	0	0	0	0	107.7	H451	G449-H451 VanDerWaalsContact C-N 3.26Å; G449-H451 PolarHBondContact O-N 3.49Å
450	F	52.4	Low	64	Low	107 Å²	107	33.8 Å²	33.8	47%	0.469	19%	0.186	S	C	.	.	T	Hydrogen-bonded Turn	trans	-79	4.9	179.4	-69.4	-74.3	0	0	0	115.9	V415 F510	V415-F450 HydrophobicContact CB-CD2 4.42Å; V415-F450 HydrophobicContact CB-CE2 4.45Å; V415-F450 HydrophobicContact CG1-CD2 4.1Å; V415-F450 HydrophobicContact CG2-CD2 3.38Å; V415-F450 HydrophobicContact CG2-CE2 3.2Å; V415-F450 HydrophobicContact CG2-CG 4.49Å; V415-F450 HydrophobicContact CG2-CZ 4.23Å; F450-F510 AromaticContact CD2-CE1 3.7Å; F450-F510 HydrophobicContact CD2-CE1 3.7Å; F450-F510 HydrophobicContact CD2-CZ 4.28Å; F450-F510 HydrophobicContact CE2-CD1 4.44Å; F450-F510 AromaticContact CE2-CE1 3.21Å; F450-F510 HydrophobicContact CE2-CE1 3.21Å; F450-F510 AromaticContact CE2-CZ 3.56Å; F450-F510 HydrophobicContact CE2-CZ 3.56Å; F450-F510 AromaticContact CZ-CE1 3.68Å; F450-F510 HydrophobicContact CZ-CE1 3.68Å; F450-F510 HydrophobicContact CZ-CZ 4.16Å
451	H	55.2	Low	63.2	Low	13 Å²	13	35.5 Å²	35.5	6%	0.06	20%	0.198	C	C	.	.	T	Hydrogen-bonded Turn	trans	-136.8	1.7	-164.6	-62.6	-37.7	0	0	0	113.7	L201 G449 V460	L201-H451 VanDerWaalsContact CD1-CD2 3.4Å; L201-H451 WeakPolarHBondContact CD1-CD2 3.35Å; G449-H451 VanDerWaalsContact C-N 3.26Å; G449-H451 PolarHBondContact O-N 3.49Å; H451-V460 HydrophobicContact CB-CG2 3.6Å; H451-V460 VanDerWaalsContact ND1-CG1 3.3Å; H451-V460 WeakPolarHBondContact ND1-CG1 3.38Å
452	T	57.9	Low	62.4	Low	11 Å²	11	39.3 Å²	39.3	7%	0.067	21%	0.212	C	C	.	.	S	Bend	trans	-75.8	131.9	172	-38.9	0	0	0	0	107	M196 V454	M196-T452 HydrophobicContact SD-CG2 3.89Å; T452-V454 PolarHBondContact O-N 3.45Å
453	P	58.6	Low	62	Low	30 Å²	30	43.5 Å²	43.5	20%	0.195	24%	0.242	C	C	.	.			trans	-62.6	106.3	171.1	26.9	-31.9	0	0	0	107.6	C210 H278 F459	C210-P453 HydrophobicContact CB-CG 4.46Å; C210-P453 VanDerWaalsContact O-CG 3.29Å; C210-P453 WeakPolarHBondContact O-CG 3.42Å; H278-P453 PolarHBondContact CE1-O 2.94Å; H278-P453 PolarHBondContact ND1-O 2.93Å; H278-P453 VanDerWaalsContact ND1-O 3.1Å; P453-F459 HydrophobicContact CB-CB 4.47Å; P453-F459 HydrophobicContact CB-CD1 4.1Å; P453-F459 HydrophobicContact CB-CD2 4.07Å; P453-F459 HydrophobicContact CB-CE1 4.35Å; P453-F459 HydrophobicContact CB-CE2 4.32Å; P453-F459 HydrophobicContact CB-CG 3.96Å; P453-F459 HydrophobicContact CB-CZ 4.45Å
454	V	56.4	Low	61.6	Low	48 Å²	48	48.1 Å²	48.1	29%	0.291	26%	0.259	S	S	.	.			trans	-121.3	130	172.6	177.7	0	0	0	0	105.2	T452 G456 L457	T452-V454 PolarHBondContact O-N 3.45Å; V454-G456 PolarHBondContact O-N 3.37Å; V454-L457 HydrophobicContact CB-CB 4.15Å; V454-L457 HydrophobicContact CB-CD1 4.05Å; V454-L457 HydrophobicContact CG1-CD1 3.97Å; V454-L457 HydrophobicContact CG1-CG 4.5Å; V454-L457 PolarHBondContact O-N 3.31Å
455	D	53.3	Low	61.4	Low	71 Å²	71	48.5 Å²	48.5	38%	0.38	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	133.1	179.8	-79	19.9	0	0	0	109.4	H278 I279 L457	H278-D455 WeakPolarHBondContact CB-OD1 3.3Å; H278-D455 VanDerWaalsContact O-CG 3.25Å; I279-D455 VanDerWaalsContact CA-OD2 3.26Å; I279-D455 WeakPolarHBondContact CA-OD2 3.47Å; D455-L457 VanDerWaalsContact C-N 3.28Å; D455-L457 PolarHBondContact O-N 2.79Å
456	G	48.8	Very low	61.8	Low	31 Å²	31	51.5 Å²	51.5	32%	0.32	28%	0.275	S	S	.	.	T	Hydrogen-bonded Turn	trans	76.2	9.8	-173.8	0	0	0	0	0	115.2	L70 V454	L70-G456 VanDerWaalsContact CD1-C 3.48Å; L70-G456 WeakPolarHBondContact CD1-O 3.33Å; V454-G456 PolarHBondContact O-N 3.37Å
457	L	55.8	Low	62.6	Low	65 Å²	65	56.9 Å²	56.9	34%	0.34	30%	0.3	S	S	.	.	S	Bend	trans	-124.6	139.3	171.9	-77.4	175.3	0	0	0	110.6	L104 V454 D455 F459	L104-L457 HydrophobicContact CD1-CD1 4.01Å; L104-L457 HydrophobicContact CD1-CD2 3.35Å; L104-L457 HydrophobicContact CD1-CG 3.58Å; V454-L457 HydrophobicContact CB-CB 4.15Å; V454-L457 HydrophobicContact CB-CD1 4.05Å; V454-L457 HydrophobicContact CG1-CD1 3.97Å; V454-L457 HydrophobicContact CG1-CG 4.5Å; V454-L457 PolarHBondContact O-N 3.31Å; D455-L457 VanDerWaalsContact C-N 3.28Å; D455-L457 PolarHBondContact O-N 2.79Å; L457-F459 PolarHBondContact O-N 3.24Å; L457-F459 VanDerWaalsContact O-N 3.08Å
458	L	55.2	Low	63.7	Low	65 Å²	65	56.7 Å²	56.7	34%	0.34	30%	0.298	S	S	.	.			trans	-59.5	115.5	170.4	-77.1	165.5	0	0	0	108.9	D63 M66 I67	D63-L458 HydrophobicContact CB-CD1 4.18Å; D63-L458 HydrophobicContact CB-CD2 4.47Å; M66-L458 HydrophobicContact CB-CD2 4.26Å; I67-L458 HydrophobicContact CD1-CD1 3.59Å; I67-L458 HydrophobicContact CG1-CD1 3.68Å; I67-L458 HydrophobicContact CG1-CG 4.13Å
459	F	63.6	Low	65.1	Low	108 Å²	108	57.4 Å²	57.4	47%	0.474	30%	0.3	S	S	.	.			trans	-113.3	152.6	170.9	66.7	-90.3	0	0	0	110.2	P453 L457 N461	P453-F459 HydrophobicContact CB-CB 4.47Å; P453-F459 HydrophobicContact CB-CD1 4.1Å; P453-F459 HydrophobicContact CB-CD2 4.07Å; P453-F459 HydrophobicContact CB-CE1 4.35Å; P453-F459 HydrophobicContact CB-CE2 4.32Å; P453-F459 HydrophobicContact CB-CG 3.96Å; P453-F459 HydrophobicContact CB-CZ 4.45Å; L457-F459 PolarHBondContact O-N 3.24Å; L457-F459 VanDerWaalsContact O-N 3.08Å; F459-N461 PolarHBondContact O-N 3.21Å
460	V	66.4	Low	66.6	Low	24 Å²	24	62.2 Å²	62.2	15%	0.145	31%	0.313	C	S	.	.			trans	-75.8	129.7	-179.9	-71.5	0	0	0	0	110.4	H451 R464 R465	H451-V460 HydrophobicContact CB-CG2 3.6Å; H451-V460 VanDerWaalsContact ND1-CG1 3.3Å; H451-V460 WeakPolarHBondContact ND1-CG1 3.38Å; V460-R464 HydrophobicContact CB-CB 4.13Å; V460-R464 HydrophobicContact CB-CG 4.22Å; V460-R464 HydrophobicContact CG1-CG 4.05Å; V460-R465 HydrophobicContact CG2-CB 4.27Å
461	N	72.8	Confident	67.9	Low	102 Å²	102	60.7 Å²	60.7	55%	0.545	30%	0.304	S	S	.	.			trans	-62.5	166.4	172.7	72.7	29	0	0	0	111.6	F459 S463 R464 R465	F459-N461 PolarHBondContact O-N 3.21Å; N461-S463 VanDerWaalsContact C-N 3.31Å; N461-S463 PolarHBondContact O-N 3.38Å; N461-S463 PolarHBondContact OD1-N 3.44Å; N461-R464 PolarHBondContact O-N 2.87Å; N461-R464 WeakPolarHBondContact OD1-CB 3.24Å; N461-R464 PolarHBondContact OD1-N 3.29Å; N461-R465 WeakPolarHBondContact O-CB 3.02Å; N461-R465 PolarHBondContact O-N 3.04Å
462	W	74.7	Confident	69	Low	84 Å²	84	60.2 Å²	60.2	32%	0.318	30%	0.302	S	S	.	.	H	α-helix	trans	-55.1	-42.7	-176.5	-178.9	-100.4	0	0	0	114.1	I204 R206 R465 M466	I204-W462 HydrophobicContact CB-CH2 4.32Å; I204-W462 HydrophobicContact CG2-CH2 3.16Å; I204-W462 HydrophobicContact CG2-CZ2 3.14Å; I204-W462 HydrophobicContact CG2-CZ3 4.2Å; R206-W462 HydrophobicContact CB-CH2 4.44Å; R206-W462 HydrophobicContact CG-CH2 3.32Å; R206-W462 HydrophobicContact CG-CZ2 3.46Å; R206-W462 VanDerWaalsContact CG-CZ2 3.46Å; R206-W462 HydrophobicContact CG-CZ3 4.06Å; R206-W462 VanDerWaalsContact NE-CZ2 3.34Å; R206-W462 VanDerWaalsContact NH2-NE1 3.12Å; W462-R465 PolarHBondContact O-N 2.69Å; W462-M466 PolarHBondContact O-N 2.81Å
463	S	78.1	Confident	70.2	Confident	90 Å²	90	63.4 Å²	63.4	63%	0.629	32%	0.316	S	S	*	.	H	α-helix	trans	-62.2	-46.5	-179.2	-176.9	0	0	0	0	111.2	N461 M466 H467	N461-S463 VanDerWaalsContact C-N 3.31Å; N461-S463 PolarHBondContact O-N 3.38Å; N461-S463 PolarHBondContact OD1-N 3.44Å; S463-M466 WeakPolarHBondContact O-CB 3.3Å; S463-M466 PolarHBondContact O-N 3.41Å; S463-H467 PolarHBondContact O-N 2.91Å; S463-H467 VanDerWaalsContact O-N 3.09Å
464	R	76.6	Confident	71.4	Confident	98 Å²	98	67.5 Å²	67.5	37%	0.37	33%	0.331	S	S	.	.	H	α-helix	trans	-65.2	-42.5	177	-163.8	95.1	-176.1	-146.8	-2.4	111.3	R416 V460 N461 M466 H467 E468	R416-R464 VanDerWaalsContact NH2-CZ 3.31Å; V460-R464 HydrophobicContact CB-CB 4.13Å; V460-R464 HydrophobicContact CB-CG 4.22Å; V460-R464 HydrophobicContact CG1-CG 4.05Å; N461-R464 PolarHBondContact O-N 2.87Å; N461-R464 WeakPolarHBondContact OD1-CB 3.24Å; N461-R464 PolarHBondContact OD1-N 3.29Å; R464-M466 VanDerWaalsContact C-N 3.31Å; R464-M466 PolarHBondContact O-N 2.81Å; R464-H467 WeakPolarHBondContact O-CB 3.25Å; R464-H467 PolarHBondContact O-N 3.43Å; R464-H467 VanDerWaalsContact O-N 3.08Å; R464-E468 WeakPolarHBondContact O-CG 3.2Å; R464-E468 PolarHBondContact O-N 3.25Å
465	R	75.6	Confident	72.7	Confident	18 Å²	18	65.2 Å²	65.2	7%	0.068	32%	0.317	C	S	.	.	H	α-helix	trans	-56.2	-44.5	174.3	178.4	175.1	172	-171.5	-4.2	112	C200 L201 W203 C210 V460 N461 W462 H467 E468 H469	C200-R465 PolarHBondContact O-NE 3.32Å; C200-R465 PolarHBondContact O-NH2 2.82Å; L201-R465 HydrophobicContact CD2-CB 4.49Å; L201-R465 HydrophobicContact CD2-CG 3.91Å; W203-R465 PolarHBondContact O-NH2 2.99Å; C210-R465 PolarHBondContact SG-NH1 3.43Å; C210-R465 PolarHBondContact SG-NH2 3.02Å; V460-R465 HydrophobicContact CG2-CB 4.27Å; N461-R465 WeakPolarHBondContact O-CB 3.02Å; N461-R465 PolarHBondContact O-N 3.04Å; W462-R465 PolarHBondContact O-N 2.69Å; R465-H467 VanDerWaalsContact C-N 3.32Å; R465-H467 PolarHBondContact O-N 3.02Å; R465-E468 PolarHBondContact O-N 2.86Å; R465-H469 WeakPolarHBondContact O-CB 3.44Å; R465-H469 PolarHBondContact O-N 3.45Å
466	M	78.9	Confident	74.1	Confident	64 Å²	64	62.6 Å²	62.6	32%	0.315	30%	0.304	S	S	.	.	H	α-helix	trans	-61.7	-39.2	175.4	173	65.9	77.3	0	0	112.1	I204 W462 S463 R464 K470	I204-M466 HydrophobicContact CD1-CB 4.1Å; I204-M466 HydrophobicContact CD1-CE 3.43Å; I204-M466 VanDerWaalsContact CD1-CE 3.43Å; I204-M466 HydrophobicContact CD1-CG 4.25Å; I204-M466 HydrophobicContact CD1-SD 3.2Å; I204-M466 WeakPolarHBondContact CD1-SD 3.47Å; I204-M466 HydrophobicContact CG2-CE 3.8Å; W462-M466 PolarHBondContact O-N 2.81Å; S463-M466 WeakPolarHBondContact O-CB 3.3Å; S463-M466 PolarHBondContact O-N 3.41Å; R464-M466 VanDerWaalsContact C-N 3.31Å; R464-M466 PolarHBondContact O-N 2.81Å; M466-K470 WeakPolarHBondContact O-CG 3.38Å; M466-K470 PolarHBondContact O-N 3.09Å; M466-K470 VanDerWaalsContact O-N 3.14Å
467	H	79.7	Confident	75.9	Confident	118 Å²	118	69.6 Å²	69.6	55%	0.546	32%	0.321	S	S	.	.	H	α-helix	trans	-64.4	-47.7	175.9	-173.7	85.3	0	0	0	112.2	S463 R464 R465 H469 K470 R471	S463-H467 PolarHBondContact O-N 2.91Å; S463-H467 VanDerWaalsContact O-N 3.09Å; R464-H467 WeakPolarHBondContact O-CB 3.25Å; R464-H467 PolarHBondContact O-N 3.43Å; R464-H467 VanDerWaalsContact O-N 3.08Å; R465-H467 VanDerWaalsContact C-N 3.32Å; R465-H467 PolarHBondContact O-N 3.02Å; H467-H469 VanDerWaalsContact C-N 3.32Å; H467-H469 PolarHBondContact O-N 3.02Å; H467-K470 PolarHBondContact O-N 3.3Å; H467-R471 PolarHBondContact O-N 2.99Å; H467-R471 VanDerWaalsContact O-N 3.08Å
468	E	77.5	Confident	77.5	Confident	10 Å²	10	67.4 Å²	67.4	5%	0.047	31%	0.309	C	S	.	.	H	α-helix	trans	-64.2	-38	178.5	-61.5	-61.6	172.9	0	0	111.7	L201 R416 Y446 R464 R465 K470 R471 N472	L201-E468 HydrophobicContact CD1-CB 4.11Å; L201-E468 HydrophobicContact CD2-CB 3.96Å; R416-E468 IonicContact CZ-OE1 3.43Å; R416-E468 IonicContact NE-OE1 3.48Å; R416-E468 PolarHBondContact NE-OE1 2.7Å; R416-E468 IonicContact NH2-OE1 2.77Å; R416-E468 PolarHBondContact NH2-OE1 2.94Å; Y446-E468 WeakPolarHBondContact CD1-OE2 3.19Å; Y446-E468 WeakPolarHBondContact CE1-OE2 3.36Å; R464-E468 WeakPolarHBondContact O-CG 3.2Å; R464-E468 PolarHBondContact O-N 3.25Å; R465-E468 PolarHBondContact O-N 2.86Å; E468-K470 PolarHBondContact O-N 2.82Å; E468-R471 WeakPolarHBondContact O-CB 3.12Å; E468-R471 PolarHBondContact O-N 3.28Å; E468-R471 VanDerWaalsContact O-N 3.14Å; E468-N472 PolarHBondContact O-N 3.24Å
469	H	79	Confident	79	Confident	23 Å²	23	64.3 Å²	64.3	11%	0.106	29%	0.293	C	S	.	.	H	α-helix	trans	-58.7	-47.6	173.4	176.1	67	0	0	0	112.6	L201 H202 I204 R465 H467 R471 N472 Q473	L201-H469 VanDerWaalsContact O-CA 3.27Å; L201-H469 WeakPolarHBondContact O-CA 3.19Å; L201-H469 WeakPolarHBondContact O-CB 3.05Å; L201-H469 PolarHBondContact O-ND1 2.68Å; H202-H469 PolarHBondContact O-CE1 2.87Å; H202-H469 PolarHBondContact O-ND1 3.04Å; I204-H469 HydrophobicContact CD1-CB 3.65Å; I204-H469 WeakPolarHBondContact CD1-CD2 3.22Å; I204-H469 HydrophobicContact CG1-CB 4.06Å; R465-H469 WeakPolarHBondContact O-CB 3.44Å; R465-H469 PolarHBondContact O-N 3.45Å; H467-H469 VanDerWaalsContact C-N 3.32Å; H467-H469 PolarHBondContact O-N 3.02Å; H469-R471 PolarHBondContact O-N 3.26Å; H469-N472 WeakPolarHBondContact O-CB 3.13Å; H469-N472 PolarHBondContact O-N 3.26Å; H469-N472 VanDerWaalsContact O-N 3.16Å; H469-Q473 PolarHBondContact NE2-NE2 3.25Å; H469-Q473 WeakPolarHBondContact O-CG 3.35Å; H469-Q473 PolarHBondContact O-N 3.29Å
470	K	82	Confident	80.1	Confident	127 Å²	127	64.1 Å²	64.1	55%	0.552	30%	0.297	S	S	*	.	H	α-helix	trans	-60.1	-36.1	175.8	-72.8	178.3	-179.8	-178.1	0	111.7	M466 H467 E468 Q473 K474	M466-K470 WeakPolarHBondContact O-CG 3.38Å; M466-K470 PolarHBondContact O-N 3.09Å; M466-K470 VanDerWaalsContact O-N 3.14Å; H467-K470 PolarHBondContact O-N 3.3Å; E468-K470 PolarHBondContact O-N 2.82Å; K470-Q473 PolarHBondContact O-N 3.35Å; K470-K474 PolarHBondContact O-N 3.07Å
471	R	79.8	Confident	81.3	Confident	75 Å²	75	69.8 Å²	69.8	28%	0.283	32%	0.322	S	S	.	.	H	α-helix	trans	-67.2	-43.2	175.2	-171.3	175.5	169.3	132.3	-21.3	111.9	W417 L418 Y446 H467 E468 H469 Q473 K474 L475	W417-R471 PolarHBondContact O-NH2 2.95Å; L418-R471 PolarHBondContact O-NE 3.13Å; L418-R471 PolarHBondContact O-NH2 3.31Å; Y446-R471 HydrophobicContact CE2-CG 4.33Å; Y446-R471 PolarHBondContact OH-NE 3.16Å; Y446-R471 PolarHBondContact OH-NH2 2.8Å; H467-R471 PolarHBondContact O-N 2.99Å; H467-R471 VanDerWaalsContact O-N 3.08Å; E468-R471 WeakPolarHBondContact O-CB 3.12Å; E468-R471 PolarHBondContact O-N 3.28Å; E468-R471 VanDerWaalsContact O-N 3.14Å; H469-R471 PolarHBondContact O-N 3.26Å; R471-Q473 VanDerWaalsContact C-N 3.35Å; R471-Q473 PolarHBondContact O-N 2.71Å; R471-K474 WeakPolarHBondContact O-CB 3.16Å; R471-K474 PolarHBondContact O-N 2.75Å; R471-L475 PolarHBondContact O-N 2.78Å
472	N	78.7	Confident	82.1	Confident	2 Å²	2	67.1 Å²	67.1	1%	0.011	31%	0.305	C	S	.	.	H	α-helix	trans	-60.2	-41.1	172.8	-86.7	-10.6	0	0	0	112.5	Y446 E468 H469 K474 L475 T476	Y446-N472 WeakPolarHBondContact CB-OD1 3.43Å; Y446-N472 WeakPolarHBondContact CD2-OD1 3.06Å; Y446-N472 PolarHBondContact N-OD1 3.11Å; Y446-N472 PolarHBondContact O-ND2 2.86Å; E468-N472 PolarHBondContact O-N 3.24Å; H469-N472 WeakPolarHBondContact O-CB 3.13Å; H469-N472 PolarHBondContact O-N 3.26Å; H469-N472 VanDerWaalsContact O-N 3.16Å; N472-K474 VanDerWaalsContact C-N 3.29Å; N472-K474 PolarHBondContact O-N 3.46Å; N472-L475 PolarHBondContact O-N 3.26Å; N472-T476 WeakPolarHBondContact O-CB 3.33Å; N472-T476 PolarHBondContact O-N 2.85Å; N472-T476 PolarHBondContact O-OG1 3.05Å
473	Q	83	Confident	82.6	Confident	79 Å²	79	70.4 Å²	70.4	37%	0.369	33%	0.328	S	S	.	.	H	α-helix	trans	-59.6	-41	174.4	-71.8	-175.9	-16.7	0	0	111.7	H469 K470 R471 T476 R477	H469-Q473 PolarHBondContact NE2-NE2 3.25Å; H469-Q473 WeakPolarHBondContact O-CG 3.35Å; H469-Q473 PolarHBondContact O-N 3.29Å; K470-Q473 PolarHBondContact O-N 3.35Å; R471-Q473 VanDerWaalsContact C-N 3.35Å; R471-Q473 PolarHBondContact O-N 2.71Å; Q473-T476 PolarHBondContact O-N 3.17Å; Q473-R477 WeakPolarHBondContact O-CG 3.5Å; Q473-R477 PolarHBondContact O-N 3.04Å
474	K	84	Confident	83	Confident	115 Å²	115	67.2 Å²	67.2	50%	0.5	30%	0.302	S	S	.	.	H	α-helix	trans	-64.9	-41.9	176.3	-172.9	177.7	-177.7	-180	0	112	K470 R471 N472 L478	K470-K474 PolarHBondContact O-N 3.07Å; R471-K474 WeakPolarHBondContact O-CB 3.16Å; R471-K474 PolarHBondContact O-N 2.75Å; N472-K474 VanDerWaalsContact C-N 3.29Å; N472-K474 PolarHBondContact O-N 3.46Å; K474-L478 PolarHBondContact O-N 2.97Å
475	L	83.4	Confident	82.7	Confident	1 Å²	1	64 Å²	64	1%	0.005	30%	0.295	C	S	.	.	H	α-helix	trans	-61	-48.1	174.1	-69.5	-179.8	0	0	0	111.1	L418 L423 Y446 R471 N472 R477 L478 T479	L418-L475 HydrophobicContact CD2-CD1 4.48Å; L423-L475 HydrophobicContact CD1-CD2 3.74Å; L423-L475 HydrophobicContact CD2-CB 4.48Å; L423-L475 HydrophobicContact CD2-CD2 3.58Å; L423-L475 HydrophobicContact CG-CD2 4.32Å; Y446-L475 HydrophobicContact CD2-CD1 3.83Å; Y446-L475 HydrophobicContact CE2-CD1 3.67Å; R471-L475 PolarHBondContact O-N 2.78Å; N472-L475 PolarHBondContact O-N 3.26Å; L475-R477 VanDerWaalsContact C-N 3.31Å; L475-R477 PolarHBondContact O-N 2.73Å; L475-L478 PolarHBondContact O-N 3.44Å; L475-L478 VanDerWaalsContact O-N 3.12Å; L475-T479 WeakPolarHBondContact O-CG2 3.44Å; L475-T479 PolarHBondContact O-N 3.38Å; L475-T479 PolarHBondContact O-OG1 3.19Å
476	T	82.7	Confident	82	Confident	16 Å²	16	63.4 Å²	63.4	10%	0.098	29%	0.293	C	S	.	.	H	α-helix	trans	-57.2	-43	-180	-58.3	0	0	0	0	112.2	N472 Q473 T479 N480 L486	N472-T476 WeakPolarHBondContact O-CB 3.33Å; N472-T476 PolarHBondContact O-N 2.85Å; N472-T476 PolarHBondContact O-OG1 3.05Å; Q473-T476 PolarHBondContact O-N 3.17Å; T476-T479 WeakPolarHBondContact CA-OG1 3.37Å; T476-T479 PolarHBondContact O-N 3.01Å; T476-T479 PolarHBondContact O-OG1 2.85Å; T476-N480 WeakPolarHBondContact O-CB 3.39Å; T476-N480 PolarHBondContact O-N 2.82Å; T476-N480 PolarHBondContact O-ND2 2.85Å; T476-N480 PolarHBondContact O-OD1 2.85Å; T476-L486 HydrophobicContact CG2-CD2 4.41Å
477	R	87.4	Confident	80.9	Confident	177 Å²	177	60.7 Å²	60.7	67%	0.668	28%	0.281	S	S	*	.	H	α-helix	trans	-60.4	-46.9	176.3	-72.7	176	-169.2	165.9	4.4	111.7	Q473 L475 N480 E481	Q473-R477 WeakPolarHBondContact O-CG 3.5Å; Q473-R477 PolarHBondContact O-N 3.04Å; L475-R477 VanDerWaalsContact C-N 3.31Å; L475-R477 PolarHBondContact O-N 2.73Å; R477-N480 PolarHBondContact O-N 2.95Å; R477-E481 PolarHBondContact O-N 3.46Å
478	L	88.1	Confident	79.5	Confident	20 Å²	20	56.4 Å²	56.4	11%	0.105	26%	0.261	C	S	.	.	H	α-helix	trans	-68.3	-38.9	179.6	-71.9	171.6	0	0	0	112.4	S420 L423 K474 L475 N480 E481 Y482	S420-L478 VanDerWaalsContact CB-CD1 3.43Å; L423-L478 HydrophobicContact CD2-CB 3.79Å; L423-L478 HydrophobicContact CD2-CD1 4.23Å; K474-L478 PolarHBondContact O-N 2.97Å; L475-L478 PolarHBondContact O-N 3.44Å; L475-L478 VanDerWaalsContact O-N 3.12Å; L478-N480 VanDerWaalsContact C-N 3.29Å; L478-N480 PolarHBondContact O-N 2.63Å; L478-E481 PolarHBondContact O-N 3.24Å; L478-Y482 HydrophobicContact CB-CE2 4.4Å; L478-Y482 VanDerWaalsContact O-CD2 3.29Å; L478-Y482 WeakPolarHBondContact O-CD2 3.43Å; L478-Y482 PolarHBondContact O-N 3.07Å
479	T	87.6	Confident	77.5	Confident	0 Å²	0	60.3 Å²	60.3	0%	0	28%	0.279	C	S	.	.	H	α-helix	trans	-63.6	-38.8	175.8	52.9	0	0	0	0	111.2	L423 I443 L475 T476 Y482 N483 W484 L486	L423-T479 HydrophobicContact CD2-CG2 4.08Å; I443-T479 HydrophobicContact CB-CG2 4Å; I443-T479 HydrophobicContact CG1-CG2 3.62Å; I443-T479 HydrophobicContact CG2-CG2 4.41Å; L475-T479 WeakPolarHBondContact O-CG2 3.44Å; L475-T479 PolarHBondContact O-N 3.38Å; L475-T479 PolarHBondContact O-OG1 3.19Å; T476-T479 WeakPolarHBondContact CA-OG1 3.37Å; T476-T479 PolarHBondContact O-N 3.01Å; T476-T479 PolarHBondContact O-OG1 2.85Å; T479-Y482 PolarHBondContact O-N 2.7Å; T479-N483 PolarHBondContact O-N 2.89Å; T479-N483 VanDerWaalsContact O-N 3.13Å; T479-W484 HydrophobicContact CG2-CE3 4.39Å; T479-W484 PolarHBondContact O-N 2.69Å; T479-L486 HydrophobicContact CG2-CD1 4.25Å
480	N	87.2	Confident	75.4	Confident	104 Å²	104	60.6 Å²	60.6	56%	0.556	28%	0.282	S	S	*	.	H	α-helix	trans	-66.6	-41.3	175.5	-67.2	-12.7	0	0	0	111.8	T476 R477 L478 Y482 N483	T476-N480 WeakPolarHBondContact O-CB 3.39Å; T476-N480 PolarHBondContact O-N 2.82Å; T476-N480 PolarHBondContact O-ND2 2.85Å; T476-N480 PolarHBondContact O-OD1 2.85Å; R477-N480 PolarHBondContact O-N 2.95Å; L478-N480 VanDerWaalsContact C-N 3.29Å; L478-N480 PolarHBondContact O-N 2.63Å; N480-Y482 VanDerWaalsContact C-N 3.29Å; N480-Y482 PolarHBondContact O-N 2.77Å; N480-N483 PolarHBondContact O-N 3.31Å; N480-N483 VanDerWaalsContact O-N 3.09Å
481	E	90.5	Very high	72.9	Confident	143 Å²	143	63.6 Å²	63.6	67%	0.668	30%	0.295	S	S	*	.	H	α-helix	trans	-58.8	-40.5	175.3	-174.6	-177.9	164.3	0	0	112	R477 L478 N483	R477-E481 PolarHBondContact O-N 3.46Å; L478-E481 PolarHBondContact O-N 3.24Å; E481-N483 VanDerWaalsContact C-N 3.28Å; E481-N483 PolarHBondContact O-N 3.11Å
482	Y	88.9	Confident	70.3	Confident	46 Å²	46	65.1 Å²	65.1	18%	0.18	32%	0.317	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.4	2.7	177.4	-56.5	-31.9	0	0	0	114.3	L423 K424 Q427 L478 T479 N480 W484	L423-Y482 HydrophobicContact CB-CE2 4.24Å; K424-Y482 VanDerWaalsContact CG-OH 3.27Å; K424-Y482 WeakPolarHBondContact CG-OH 3.26Å; Q427-Y482 HydrophobicContact CB-CD2 4.25Å; Q427-Y482 HydrophobicContact CB-CE1 4.37Å; Q427-Y482 HydrophobicContact CB-CE2 4.06Å; Q427-Y482 HydrophobicContact CB-CG 4.49Å; Q427-Y482 HydrophobicContact CG-CD1 3.93Å; Q427-Y482 HydrophobicContact CG-CD2 4.48Å; Q427-Y482 HydrophobicContact CG-CE1 3.92Å; Q427-Y482 HydrophobicContact CG-CE2 4.45Å; Q427-Y482 HydrophobicContact CG-CG 4.23Å; L478-Y482 HydrophobicContact CB-CE2 4.4Å; L478-Y482 VanDerWaalsContact O-CD2 3.29Å; L478-Y482 WeakPolarHBondContact O-CD2 3.43Å; L478-Y482 PolarHBondContact O-N 3.07Å; T479-Y482 PolarHBondContact O-N 2.7Å; N480-Y482 VanDerWaalsContact C-N 3.29Å; N480-Y482 PolarHBondContact O-N 2.77Å; Y482-W484 HydrophobicContact CD2-CD2 4.14Å; Y482-W484 HydrophobicContact CD2-CE3 4.02Å; Y482-W484 AromaticContact CD2-CH2 3.73Å; Y482-W484 HydrophobicContact CD2-CH2 3.73Å; Y482-W484 AromaticContact CD2-CZ2 3.89Å; Y482-W484 HydrophobicContact CD2-CZ2 3.89Å; Y482-W484 AromaticContact CD2-CZ3 3.82Å; Y482-W484 HydrophobicContact CD2-CZ3 3.82Å; Y482-W484 HydrophobicContact CE2-CH2 4.28Å; Y482-W484 HydrophobicContact CE2-CZ3 4.45Å; Y482-W484 HydrophobicContact CG-CD2 4.43Å; Y482-W484 HydrophobicContact CG-CZ2 4.27Å; Y482-W484 PolarHBondContact O-N 2.76Å; Y482-W484 PolarHBondContact O-NE1 3.24Å
483	N	86.6	Confident	68.1	Low	153 Å²	153	66 Å²	66	82%	0.818	32%	0.322	S	S	*	.	T	Hydrogen-bonded Turn	trans	55.2	39.4	-175.1	-165.4	30.1	0	0	0	113.1	T479 N480 E481	T479-N483 PolarHBondContact O-N 2.89Å; T479-N483 VanDerWaalsContact O-N 3.13Å; N480-N483 PolarHBondContact O-N 3.31Å; N480-N483 VanDerWaalsContact O-N 3.09Å; E481-N483 VanDerWaalsContact C-N 3.28Å; E481-N483 PolarHBondContact O-N 3.11Å
484	W	85.4	Confident	65.4	Low	22 Å²	22	64 Å²	64	8%	0.083	32%	0.322	C	S	.	.	P	Polyproline II helix	trans	-96.5	157	176.4	-63.1	-5.7	0	0	0	111.1	L423 I426 Q427 I430 V441 I443 T479 Y482	L423-W484 HydrophobicContact CB-CZ3 4.18Å; L423-W484 HydrophobicContact CG-CZ3 4.03Å; L423-W484 VanDerWaalsContact O-CH2 3.3Å; L423-W484 WeakPolarHBondContact O-CH2 3.45Å; I426-W484 HydrophobicContact CB-CH2 3.73Å; I426-W484 HydrophobicContact CB-CZ3 4.41Å; I426-W484 HydrophobicContact CG2-CH2 3.54Å; I426-W484 HydrophobicContact CG2-CZ2 3.94Å; I426-W484 HydrophobicContact CG2-CZ3 4.27Å; Q427-W484 HydrophobicContact CB-CH2 4.01Å; Q427-W484 HydrophobicContact CB-CZ2 3.86Å; I430-W484 HydrophobicContact CD1-CZ2 4.29Å; V441-W484 HydrophobicContact CB-CB 4.23Å; V441-W484 HydrophobicContact CB-CD2 3.64Å; V441-W484 HydrophobicContact CB-CE3 4.12Å; V441-W484 HydrophobicContact CB-CG 3.67Å; V441-W484 HydrophobicContact CG1-CD2 3.78Å; V441-W484 HydrophobicContact CG1-CE3 3.71Å; V441-W484 HydrophobicContact CG1-CG 4.23Å; V441-W484 HydrophobicContact CG1-CZ3 4.1Å; V441-W484 HydrophobicContact CG2-CD2 4.09Å; V441-W484 HydrophobicContact CG2-CG 4.33Å; V441-W484 HydrophobicContact CG2-CZ2 4.14Å; I443-W484 HydrophobicContact CD1-CE3 4.15Å; I443-W484 HydrophobicContact CD1-CZ3 4.31Å; I443-W484 HydrophobicContact CG1-CE3 4.01Å; T479-W484 HydrophobicContact CG2-CE3 4.39Å; T479-W484 PolarHBondContact O-N 2.69Å; Y482-W484 HydrophobicContact CD2-CD2 4.14Å; Y482-W484 HydrophobicContact CD2-CE3 4.02Å; Y482-W484 AromaticContact CD2-CH2 3.73Å; Y482-W484 HydrophobicContact CD2-CH2 3.73Å; Y482-W484 AromaticContact CD2-CZ2 3.89Å; Y482-W484 HydrophobicContact CD2-CZ2 3.89Å; Y482-W484 AromaticContact CD2-CZ3 3.82Å; Y482-W484 HydrophobicContact CD2-CZ3 3.82Å; Y482-W484 HydrophobicContact CE2-CH2 4.28Å; Y482-W484 HydrophobicContact CE2-CZ3 4.45Å; Y482-W484 HydrophobicContact CG-CD2 4.43Å; Y482-W484 HydrophobicContact CG-CZ2 4.27Å; Y482-W484 PolarHBondContact O-N 2.76Å; Y482-W484 PolarHBondContact O-NE1 3.24Å
485	S	70.5	Confident	62.9	Low	31 Å²	31	66.3 Å²	66.3	22%	0.217	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-92	130.5	178.8	-73.3	0	0	0	0	111	V441 Y442 I443	V441-S485 PolarHBondContact O-N 3.07Å; Y442-S485 CarbonylContact C-O 3.56Å; Y442-S485 WeakPolarHBondContact CA-O 3.39Å; Y442-S485 VanDerWaalsContact CD1-CB 3.41Å; I443-S485 PolarHBondContact N-O 3.18Å
486	L	60.2	Low	60.9	Low	6 Å²	6	67 Å²	67	3%	0.031	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-96	132.8	170.9	-163.8	75.8	0	0	0	109	I443 D445 T476 T479 Q488 H489	I443-L486 HydrophobicContact CB-CD1 3.92Å; I443-L486 HydrophobicContact CG2-CD1 3.87Å; D445-L486 HydrophobicContact CB-CD1 3.96Å; D445-L486 HydrophobicContact CB-CG 4.45Å; D445-L486 VanDerWaalsContact OD2-CD2 3.32Å; D445-L486 WeakPolarHBondContact OD2-CD2 3.26Å; D445-L486 VanDerWaalsContact OD2-CG 3.31Å; D445-L486 WeakPolarHBondContact OD2-CG 3.45Å; T476-L486 HydrophobicContact CG2-CD2 4.41Å; T479-L486 HydrophobicContact CG2-CD1 4.25Å; L486-Q488 PolarHBondContact O-N 3.05Å; L486-Q488 VanDerWaalsContact O-N 3.13Å; L486-H489 HydrophobicContact CB-CB 4.25Å; L486-H489 HydrophobicContact CD2-CB 4.12Å; L486-H489 VanDerWaalsContact CD2-CD2 3.48Å; L486-H489 WeakPolarHBondContact CD2-CD2 3.41Å; L486-H489 PolarHBondContact O-N 2.79Å
487	S	56.1	Low	58.7	Low	7 Å²	7	67.3 Å²	67.3	5%	0.049	34%	0.339	C	S	.	.	S	Bend	trans	-67.4	-19.3	-168.4	-52	0	0	0	0	114.8	I443 M503	I443-S487 PolarHBondContact O-N 2.92Å; I443-S487 PolarHBondContact O-OG 2.87Å; S487-M503 VanDerWaalsContact CB-SD 3.56Å
488	Q	50.6	Low	56.5	Low	28 Å²	28	59 Å²	59	13%	0.131	31%	0.308	C	S	.	.	S	Bend	trans	-109.6	-15.9	177.1	-66	-160.6	-35.9	0	0	115.1	N199 H202 L486 T490 M503	N199-Q488 PolarHBondContact OD1-OE1 2.82Å; H202-Q488 PolarHBondContact CD2-OE1 2.91Å; H202-Q488 PolarHBondContact NE2-OE1 3.48Å; L486-Q488 PolarHBondContact O-N 3.05Å; L486-Q488 VanDerWaalsContact O-N 3.13Å; Q488-T490 PolarHBondContact O-N 3.27Å; Q488-T490 VanDerWaalsContact O-N 3.07Å; Q488-M503 HydrophobicContact CG-SD 4.19Å
489	H	35.2	Very low	54.4	Low	92 Å²	92	58.2 Å²	58.2	43%	0.426	30%	0.304	S	S	.	.			trans	-85.8	56.9	170.3	-85.5	-47.2	0	0	0	110.6	L486 K491	L486-H489 HydrophobicContact CB-CB 4.25Å; L486-H489 HydrophobicContact CD2-CB 4.12Å; L486-H489 VanDerWaalsContact CD2-CD2 3.48Å; L486-H489 WeakPolarHBondContact CD2-CD2 3.41Å; L486-H489 PolarHBondContact O-N 2.79Å; H489-K491 PolarHBondContact O-N 3.35Å
490	T	34.6	Very low	52.1	Low	29 Å²	29	59.2 Å²	59.2	18%	0.178	31%	0.308	C	S	.	.	T	Hydrogen-bonded Turn	trans	-78.7	47.9	173.9	45.6	0	0	0	0	111.5	Q488 S492 L493	Q488-T490 PolarHBondContact O-N 3.27Å; Q488-T490 VanDerWaalsContact O-N 3.07Å; T490-S492 VanDerWaalsContact C-N 3.33Å; T490-L493 HydrophobicContact CG2-CB 4.06Å; T490-L493 HydrophobicContact CG2-CD1 3.61Å; T490-L493 HydrophobicContact CG2-CG 4.44Å
491	K	29.9	Very low	50.1	Low	190 Å²	190	54.4 Å²	54.4	83%	0.826	28%	0.282	S	S	*	.	T	Hydrogen-bonded Turn	trans	-77.5	-19.7	164.6	-89.1	-169.1	176.6	-176.8	0	112.5	H489	H489-K491 PolarHBondContact O-N 3.35Å
492	S	26.4	Very low	48	Very low	106 Å²	106	47.7 Å²	47.7	74%	0.741	25%	0.251	S	S	*	.	S	Bend	trans	-124.3	4	-174.6	69.8	0	0	0	0	115.2	T490 G494	T490-S492 VanDerWaalsContact C-N 3.33Å; S492-G494 PolarHBondContact O-N 2.87Å
493	L	30.9	Very low	45.8	Very low	22 Å²	22	46.1 Å²	46.1	12%	0.115	25%	0.246	C	C	.	.			trans	-82.4	65.7	-178.1	-88.6	138.4	0	0	0	111.5	T490 Q495 D496 I499	T490-L493 HydrophobicContact CG2-CB 4.06Å; T490-L493 HydrophobicContact CG2-CD1 3.61Å; T490-L493 HydrophobicContact CG2-CG 4.44Å; L493-Q495 PolarHBondContact O-N 3.26Å; L493-D496 HydrophobicContact CD2-CB 3.46Å; L493-D496 VanDerWaalsContact CD2-CB 3.46Å; L493-I499 HydrophobicContact CD1-CD1 3.89Å; L493-I499 HydrophobicContact CD2-CD1 3.71Å; L493-I499 HydrophobicContact CG-CD1 4.49Å
494	G	27.5	Very low	43.8	Very low	35 Å²	35	39 Å²	39	36%	0.361	21%	0.207	S	C	.	.	S	Bend	trans	-56.4	-18.2	160.9	0	0	0	0	0	115.3	S492	S492-G494 PolarHBondContact O-N 2.87Å
495	Q	30.7	Very low	41.6	Very low	165 Å²	165	39 Å²	39	77%	0.771	21%	0.209	S	C	*	.	S	Bend	trans	-136.6	-17.6	-158.8	-69.7	-177.1	-8.3	0	0	116.8	L493 L497	L493-Q495 PolarHBondContact O-N 3.26Å; Q495-L497 PolarHBondContact O-N 2.55Å
496	D	40.9	Very low	40.1	Very low	15 Å²	15	38 Å²	38	8%	0.08	20%	0.201	C	C	.	.			trans	-105.1	76.8	177.3	-56.8	-40.1	0	0	0	111.6	Y319 K440 Y442 L493 I498 I499	Y319-D496 PolarHBondContact OH-OD1 3.1Å; K440-D496 IonicContact NZ-OD1 2.92Å; K440-D496 PolarHBondContact NZ-OD1 2.96Å; Y442-D496 WeakPolarHBondContact CE1-OD2 3.43Å; Y442-D496 PolarHBondContact OH-OD2 2.8Å; L493-D496 HydrophobicContact CD2-CB 3.46Å; L493-D496 VanDerWaalsContact CD2-CB 3.46Å; D496-I498 PolarHBondContact O-N 3.46Å; D496-I499 HydrophobicContact CB-CD1 4.46Å; D496-I499 PolarHBondContact O-N 3.17Å; D496-I499 HydrophobicContact CB-CG1 4.39Å; D496-I499 VanDerWaalsContact O-N 3.12Å
497	L	37.3	Very low	39	Very low	23 Å²	23	38.2 Å²	38.2	12%	0.12	20%	0.202	C	C	.	.	H	α-helix	trans	-37.7	-36.9	168.2	-159	79.4	0	0	0	112.5	I299 Y300 D312 L315 I316 Q495 M501	I299-L497 HydrophobicContact CD1-CD1 3.72Å; I299-L497 HydrophobicContact CG2-CD1 3.86Å; Y300-L497 HydrophobicContact CE2-CD1 3.88Å; D312-L497 HydrophobicContact CB-CD2 4.08Å; L315-L497 HydrophobicContact CB-CD2 3.85Å; L315-L497 HydrophobicContact CD1-CD2 4.44Å; I316-L497 HydrophobicContact CG1-CD2 3.93Å; Q495-L497 PolarHBondContact O-N 2.55Å; L497-M501 HydrophobicContact CD2-SD 4.1Å; L497-M501 PolarHBondContact O-N 2.86Å; L497-M501 WeakPolarHBondContact O-CG 3.39Å; L497-M501 WeakPolarHBondContact O-CB 3.31Å; L497-M501 VanDerWaalsContact O-CB 3.22Å; L497-M501 HydrophobicContact CG-SD 3.89Å
498	I	41.4	Very low	37.7	Very low	3 Å²	3	40.7 Å²	40.7	2%	0.015	22%	0.217	C	C	.	.	H	α-helix	trans	-62.8	-51.1	-177.1	-66.5	-177.9	0	0	0	112.5	I316 Y319 L320 L340 L409 F411 D496 F500 M501 L502	I316-I498 HydrophobicContact CG2-CD1 4.35Å; I316-I498 HydrophobicContact CG2-CG1 4.28Å; Y319-I498 HydrophobicContact CD1-CD1 3.34Å; Y319-I498 HydrophobicContact CD1-CG1 4.23Å; Y319-I498 HydrophobicContact CE1-CD1 3.62Å; Y319-I498 HydrophobicContact CE1-CG1 4.47Å; Y319-I498 HydrophobicContact CG-CD1 4.38Å; L320-I498 HydrophobicContact CD1-CD1 4.11Å; L320-I498 HydrophobicContact CD2-CD1 3.3Å; L320-I498 HydrophobicContact CG-CD1 3.62Å; L340-I498 HydrophobicContact CD2-CG2 4.24Å; L409-I498 HydrophobicContact CD1-CD1 4.44Å; F411-I498 HydrophobicContact CZ-CG2 4.15Å; D496-I498 PolarHBondContact O-N 3.46Å; I498-F500 VanDerWaalsContact C-N 3.32Å; I498-F500 PolarHBondContact O-N 3.06Å; I498-M501 PolarHBondContact O-N 3.12Å; I498-L502 HydrophobicContact CG2-CD1 3.38Å; I498-L502 HydrophobicContact CG2-CG 3.92Å; I498-L502 WeakPolarHBondContact O-CB 3.39Å; I498-L502 WeakPolarHBondContact O-CG 3.29Å; I498-L502 PolarHBondContact O-N 3.06Å
499	I	43.5	Very low	36.7	Very low	3 Å²	3	42 Å²	42	2%	0.015	23%	0.225	C	C	.	.	H	α-helix	trans	-62.4	-44.1	-176.8	-54.9	173.2	0	0	0	110.5	F411 Y442 L493 D496 M501 L502 M503	F411-I499 HydrophobicContact CE1-CG1 4.45Å; Y442-I499 HydrophobicContact CD1-CD1 3.08Å; Y442-I499 HydrophobicContact CD1-CG1 3.67Å; Y442-I499 HydrophobicContact CE1-CD1 3.28Å; Y442-I499 HydrophobicContact CE1-CG1 3.83Å; Y442-I499 HydrophobicContact CG-CD1 4.08Å; Y442-I499 HydrophobicContact CG-CG1 4.27Å; L493-I499 HydrophobicContact CD1-CD1 3.89Å; L493-I499 HydrophobicContact CD2-CD1 3.71Å; L493-I499 HydrophobicContact CG-CD1 4.49Å; D496-I499 HydrophobicContact CB-CD1 4.46Å; D496-I499 PolarHBondContact O-N 3.17Å; D496-I499 HydrophobicContact CB-CG1 4.39Å; D496-I499 VanDerWaalsContact O-N 3.12Å; I499-M501 VanDerWaalsContact C-N 3.35Å; I499-M501 PolarHBondContact O-N 2.8Å; I499-L502 PolarHBondContact O-N 3.2Å; I499-L502 WeakPolarHBondContact O-CB 3.44Å; I499-M503 HydrophobicContact CG2-CG 3.84Å; I499-M503 WeakPolarHBondContact O-CB 3.46Å; I499-M503 VanDerWaalsContact O-CG 3.22Å; I499-M503 WeakPolarHBondContact O-CG 3.45Å; I499-M503 PolarHBondContact O-N 3.3Å
500	F	40.8	Very low	36.4	Very low	20 Å²	20	39.3 Å²	39.3	9%	0.088	21%	0.212	C	C	.	.	H	α-helix	trans	-61.6	-48	-179.1	-178.1	-104.1	0	0	0	111	W292 E294 N297 Y304 I498 L502 M503 Q504	W292-F500 AromaticContact CD1-CZ 3.95Å; W292-F500 AromaticContact NE1-CE2 3.61Å; W292-F500 AromaticContact NE1-CZ 3.65Å; E294-F500 HydrophobicContact CB-CE2 4.04Å; E294-F500 HydrophobicContact CB-CZ 4.14Å; E294-F500 HydrophobicContact CG-CE2 3.77Å; E294-F500 HydrophobicContact CG-CZ 4.2Å; N297-F500 WeakPolarHBondContact ND2-CD1 3.32Å; N297-F500 VanDerWaalsContact ND2-CD2 3.28Å; N297-F500 WeakPolarHBondContact ND2-CD2 3.1Å; N297-F500 WeakPolarHBondContact ND2-CE2 3.46Å; N297-F500 VanDerWaalsContact ND2-CG 3.35Å; N297-F500 WeakPolarHBondContact ND2-CG 3.32Å; N297-F500 WeakPolarHBondContact ND2-CZ 3.39Å; Y304-F500 HydrophobicContact CD2-CE1 4.49Å; I498-F500 VanDerWaalsContact C-N 3.32Å; I498-F500 PolarHBondContact O-N 3.06Å; F500-L502 PolarHBondContact O-N 2.94Å; F500-M503 PolarHBondContact O-N 3.03Å; F500-Q504 PolarHBondContact O-N 3.31Å; F500-Q504 WeakPolarHBondContact O-CG 2.99Å
501	M	43.2	Very low	36.2	Very low	3 Å²	3	39.5 Å²	39.5	2%	0.015	21%	0.211	C	C	.	.	H	α-helix	trans	-60	-37.3	176	-77.2	-171.7	72.2	0	0	112.5	I309 D312 I316 R343 L497 I498 I499	I309-M501 HydrophobicContact CG2-CE 3.45Å; I309-M501 VanDerWaalsContact CG2-CE 3.45Å; D312-M501 HydrophobicContact CB-CE 3.8Å; D312-M501 HydrophobicContact CB-SD 3.63Å; I316-M501 HydrophobicContact CD1-CE 3.13Å; I316-M501 HydrophobicContact CD1-SD 3.24Å; I316-M501 WeakPolarHBondContact CD1-SD 3.2Å; I316-M501 HydrophobicContact CG1-CE 4.23Å; I316-M501 HydrophobicContact CG1-SD 3.69Å; R343-M501 VanDerWaalsContact CZ-O 3.26Å; R343-M501 VanDerWaalsContact NH1-CB 3.32Å; R343-M501 PolarHBondContact NH1-O 3.48Å; R343-M501 PolarHBondContact NH2-O 2.88Å; L497-M501 HydrophobicContact CD2-SD 4.1Å; L497-M501 PolarHBondContact O-N 2.86Å; L497-M501 WeakPolarHBondContact O-CG 3.39Å; L497-M501 WeakPolarHBondContact O-CB 3.31Å; L497-M501 VanDerWaalsContact O-CB 3.22Å; L497-M501 HydrophobicContact CG-SD 3.89Å; I498-M501 PolarHBondContact O-N 3.12Å; I499-M501 VanDerWaalsContact C-N 3.35Å; I499-M501 PolarHBondContact O-N 2.8Å
502	L	46.4	Very low	36	Very low	2 Å²	2	35 Å²	35	1%	0.01	20%	0.195	C	C	.	.	H	α-helix	trans	-73.3	-45.9	-179.9	-80	-177.9	0	0	0	112.7	L336 L340 F411 I498 I499 F500 Q504 D505 V506	L336-L502 HydrophobicContact CD1-CB 3.34Å; L336-L502 HydrophobicContact CD1-CD1 4.26Å; L336-L502 HydrophobicContact CD1-CD2 3.56Å; L336-L502 HydrophobicContact CD1-CG 3.85Å; L336-L502 WeakPolarHBondContact CD1-O 3.46Å; L336-L502 HydrophobicContact CD2-CB 4.28Å; L336-L502 HydrophobicContact CD2-CD1 4.11Å; L336-L502 HydrophobicContact CG-CB 4.06Å; L336-L502 HydrophobicContact CG-CD1 4.08Å; L336-L502 HydrophobicContact CG-CD2 3.86Å; L336-L502 HydrophobicContact CG-CG 4.19Å; L340-L502 HydrophobicContact CB-CD2 3.52Å; L340-L502 HydrophobicContact CD1-CD2 3.99Å; L340-L502 HydrophobicContact CD2-CD1 4.25Å; L340-L502 HydrophobicContact CD2-CD2 4.04Å; L340-L502 HydrophobicContact CG-CD2 4.03Å; F411-L502 HydrophobicContact CE1-CD1 3.91Å; F411-L502 HydrophobicContact CZ-CD1 4.15Å; I498-L502 HydrophobicContact CG2-CD1 3.38Å; I498-L502 HydrophobicContact CG2-CG 3.92Å; I498-L502 WeakPolarHBondContact O-CB 3.39Å; I498-L502 WeakPolarHBondContact O-CG 3.29Å; I498-L502 PolarHBondContact O-N 3.06Å; I499-L502 PolarHBondContact O-N 3.2Å; I499-L502 WeakPolarHBondContact O-CB 3.44Å; F500-L502 PolarHBondContact O-N 2.94Å; L502-Q504 PolarHBondContact O-N 2.03Å; L502-D505 PolarHBondContact O-N 2.66Å; L502-D505 VanDerWaalsContact O-N 3.11Å; L502-V506 PolarHBondContact O-N 2.96Å
503	M	43.3	Very low	35.9	Very low	13 Å²	13	36.8 Å²	36.8	6%	0.064	20%	0.195	C	C	.	.	H	α-helix	trans	-57	-39.5	178.2	-75.3	-83.2	113.4	0	0	110.7	S487 Q488 I499 F500 D505 V506 H507	S487-M503 VanDerWaalsContact CB-SD 3.56Å; Q488-M503 HydrophobicContact CG-SD 4.19Å; I499-M503 HydrophobicContact CG2-CG 3.84Å; I499-M503 WeakPolarHBondContact O-CB 3.46Å; I499-M503 VanDerWaalsContact O-CG 3.22Å; I499-M503 WeakPolarHBondContact O-CG 3.45Å; I499-M503 PolarHBondContact O-N 3.3Å; F500-M503 PolarHBondContact O-N 3.03Å; M503-D505 VanDerWaalsContact C-N 3.33Å; M503-D505 PolarHBondContact O-N 2.77Å; M503-V506 PolarHBondContact O-N 3.32Å; M503-H507 PolarHBondContact O-N 2.8Å; M503-H507 WeakPolarHBondContact O-CB 3.14Å; M503-H507 VanDerWaalsContact C-CD2 3.49Å; M503-H507 PolarHBondContact O-CD2 3.43Å
504	Q	44.1	Very low	36.2	Very low	3 Å²	3	37.6 Å²	37.6	1%	0.014	20%	0.199	C	C	.	.	H	α-helix	trans	-62.4	-38.6	177.9	-72.3	170.7	-28.7	0	0	113.4	F500 L502 H507 V508	F500-Q504 PolarHBondContact O-N 3.31Å; F500-Q504 WeakPolarHBondContact O-CG 2.99Å; L502-Q504 PolarHBondContact O-N 2.03Å; Q504-H507 PolarHBondContact O-N 2.84Å; Q504-V508 VanDerWaalsContact O-CG2 3.3Å; Q504-V508 WeakPolarHBondContact O-CG2 3.28Å; Q504-V508 PolarHBondContact O-N 3.49Å
505	D	40.6	Very low	36.6	Very low	24 Å²	24	37.7 Å²	37.7	13%	0.128	19%	0.19	C	C	.	.	H	α-helix	trans	-70.7	-39.4	174.4	-73.6	-30	0	0	0	111.8	S339 R343 L502 M503 H507 V508 I509	S339-D505 WeakPolarHBondContact CB-OD2 3.28Å; S339-D505 VanDerWaalsContact OG-CB 3.25Å; S339-D505 WeakPolarHBondContact OG-CB 2.9Å; S339-D505 PolarHBondContact OG-OD2 3.4Å; R343-D505 VanDerWaalsContact CZ-CG 3.48Å; R343-D505 IonicContact CZ-OD1 3Å; R343-D505 IonicContact CZ-OD2 3.47Å; R343-D505 IonicContact NE-OD1 2.95Å; R343-D505 IonicContact NE-OD2 3.58Å; R343-D505 PolarHBondContact NE-OD2 3.22Å; R343-D505 IonicContact NH1-OD2 3.41Å; R343-D505 IonicContact NH2-OD1 3.82Å; R343-D505 PolarHBondContact NH2-OD1 3.21Å; R343-D505 IonicContact NH2-OD2 3.13Å; R343-D505 PolarHBondContact NH2-OD2 3.48Å; L502-D505 PolarHBondContact O-N 2.66Å; L502-D505 VanDerWaalsContact O-N 3.11Å; M503-D505 VanDerWaalsContact C-N 3.33Å; M503-D505 PolarHBondContact O-N 2.77Å; D505-H507 PolarHBondContact O-N 2.81Å; D505-V508 PolarHBondContact O-N 3.41Å; D505-I509 WeakPolarHBondContact O-CD1 3.13Å; D505-I509 PolarHBondContact O-N 3.08Å; D505-I509 WeakPolarHBondContact O-CG1 3.36Å; D505-I509 WeakPolarHBondContact O-CB 3.39Å; D505-I509 VanDerWaalsContact O-CB 3.28Å; D505-I509 HydrophobicContact CB-CD1 4.41Å
506	V	38.4	Very low	37	Very low	8 Å²	8	30.6 Å²	30.6	5%	0.048	16%	0.158	C	C	.	.	H	α-helix	trans	-57.3	-45.7	172.9	-178.3	0	0	0	0	109.3	T332 L336 L502 M503 V508 I509 F510	T332-V506 HydrophobicContact CG2-CG1 3.74Å; L336-V506 HydrophobicContact CB-CG2 4.17Å; L336-V506 HydrophobicContact CD1-CG2 3.23Å; L336-V506 HydrophobicContact CD2-CG2 4.38Å; L336-V506 HydrophobicContact CG-CG2 4.13Å; L502-V506 PolarHBondContact O-N 2.96Å; M503-V506 PolarHBondContact O-N 3.32Å; V506-V508 PolarHBondContact O-N 3.21Å; V506-I509 PolarHBondContact O-N 3.27Å; V506-F510 PolarHBondContact O-N 3.47Å; V506-F510 WeakPolarHBondContact O-CD2 3.33Å; V506-F510 VanDerWaalsContact O-CD2 3.3Å; V506-F510 VanDerWaalsContact O-CB 3.3Å; V506-F510 HydrophobicContact CG1-CE2 3.71Å; V506-F510 VanDerWaalsContact CG1-CD2 3.42Å; V506-F510 HydrophobicContact CG1-CD2 3.42Å; V506-F510 WeakPolarHBondContact O-CB 3.48Å
507	H	36.2	Very low	36.7	Very low	11 Å²	11	31.5 Å²	31.5	5%	0.051	16%	0.163	C	C	.	.	H	α-helix	trans	-62.2	-45.2	179.8	-67.7	-52.7	0	0	0	111.8	Q198 W269 M503 Q504 D505 F510 I511	Q198-H507 PolarHBondContact OE1-CE1 2.9Å; Q198-H507 VanDerWaalsContact OE1-CG 3.27Å; Q198-H507 PolarHBondContact OE1-ND1 3.14Å; W269-H507 HydrophobicContact CZ2-CB 3.99Å; W269-H507 AromaticContact NE1-CG 3.95Å; M503-H507 PolarHBondContact O-N 2.8Å; M503-H507 WeakPolarHBondContact O-CB 3.14Å; M503-H507 VanDerWaalsContact C-CD2 3.49Å; M503-H507 PolarHBondContact O-CD2 3.43Å; Q504-H507 PolarHBondContact O-N 2.84Å; D505-H507 PolarHBondContact O-N 2.81Å; H507-F510 PolarHBondContact O-N 2.97Å; H507-I511 VanDerWaalsContact O-N 3.14Å; H507-I511 PolarHBondContact O-N 3.07Å; H507-I511 WeakPolarHBondContact O-CG1 3.33Å; H507-I511 WeakPolarHBondContact O-CD1 3.35Å; H507-I511 WeakPolarHBondContact O-CB 3.19Å
508	V	30	Very low	36.7	Very low	60 Å²	60	32.1 Å²	32.1	36%	0.364	17%	0.165	S	C	.	.	H	α-helix	trans	-64.4	-40.8	175.9	174.5	0	0	0	0	111.9	W269 Q504 D505 V506 I511 M512	W269-V508 HydrophobicContact CH2-CG2 3.98Å; W269-V508 HydrophobicContact CZ2-CG2 4.17Å; Q504-V508 VanDerWaalsContact O-CG2 3.3Å; Q504-V508 WeakPolarHBondContact O-CG2 3.28Å; Q504-V508 PolarHBondContact O-N 3.49Å; D505-V508 PolarHBondContact O-N 3.41Å; V506-V508 PolarHBondContact O-N 3.21Å; V508-I511 PolarHBondContact O-N 3.23Å; V508-M512 PolarHBondContact O-N 3.33Å
509	I	29	Very low	36.4	Very low	56 Å²	56	34 Å²	34	29%	0.287	18%	0.175	S	C	.	.	H	α-helix	trans	-67.9	-38.9	179.2	-68.5	165.2	0	0	0	111	A335 D505 V506 I511 M512 L513	A335-I509 HydrophobicContact CB-CD1 4.27Å; A335-I509 HydrophobicContact CB-CG2 4.46Å; D505-I509 WeakPolarHBondContact O-CD1 3.13Å; D505-I509 PolarHBondContact O-N 3.08Å; D505-I509 WeakPolarHBondContact O-CG1 3.36Å; D505-I509 WeakPolarHBondContact O-CB 3.39Å; D505-I509 VanDerWaalsContact O-CB 3.28Å; D505-I509 HydrophobicContact CB-CD1 4.41Å; V506-I509 PolarHBondContact O-N 3.27Å; I509-I511 VanDerWaalsContact C-N 3.26Å; I509-I511 PolarHBondContact O-N 2.93Å; I509-M512 PolarHBondContact O-N 2.77Å; I509-L513 HydrophobicContact CG2-CD1 3.97Å; I509-L513 PolarHBondContact O-N 3.33Å; I509-L513 VanDerWaalsContact O-N 3.12Å
510	F	30.2	Very low	35.9	Very low	34 Å²	34	36.2 Å²	36.2	15%	0.149	19%	0.187	C	C	.	.	H	α-helix	trans	-71.6	-20.1	177.3	-98	-83.5	0	0	0	114.5	T332 F450 V506 H507	T332-F510 HydrophobicContact CG2-CD2 4.49Å; T332-F510 HydrophobicContact CG2-CE2 3.47Å; T332-F510 VanDerWaalsContact CG2-CE2 3.47Å; T332-F510 HydrophobicContact CG2-CZ 4.13Å; T332-F510 WeakPolarHBondContact OG1-CZ 3.29Å; F450-F510 AromaticContact CD2-CE1 3.7Å; F450-F510 HydrophobicContact CD2-CE1 3.7Å; F450-F510 HydrophobicContact CD2-CZ 4.28Å; F450-F510 HydrophobicContact CE2-CD1 4.44Å; F450-F510 AromaticContact CE2-CE1 3.21Å; F450-F510 HydrophobicContact CE2-CE1 3.21Å; F450-F510 AromaticContact CE2-CZ 3.56Å; F450-F510 HydrophobicContact CE2-CZ 3.56Å; F450-F510 AromaticContact CZ-CE1 3.68Å; F450-F510 HydrophobicContact CZ-CE1 3.68Å; F450-F510 HydrophobicContact CZ-CZ 4.16Å; V506-F510 PolarHBondContact O-N 3.47Å; V506-F510 WeakPolarHBondContact O-CD2 3.33Å; V506-F510 VanDerWaalsContact O-CD2 3.3Å; V506-F510 VanDerWaalsContact O-CB 3.3Å; V506-F510 HydrophobicContact CG1-CE2 3.71Å; V506-F510 VanDerWaalsContact CG1-CD2 3.42Å; V506-F510 HydrophobicContact CG1-CD2 3.42Å; V506-F510 WeakPolarHBondContact O-CB 3.48Å; H507-F510 PolarHBondContact O-N 2.97Å
511	I	30.5	Very low	35.5	Very low	33 Å²	33	37.5 Å²	37.5	17%	0.169	19%	0.194	C	C	.	.	H	α-helix	trans	-84.9	-33.2	176.8	-78.2	162.6	0	0	0	110.9	W287 H507 V508 I509	W287-I511 HydrophobicContact CD2-CG2 3.21Å; W287-I511 HydrophobicContact CE3-CB 4.45Å; W287-I511 HydrophobicContact CE3-CD1 3.86Å; W287-I511 HydrophobicContact CE3-CG1 4.4Å; W287-I511 HydrophobicContact CE3-CG2 3.42Å; W287-I511 VanDerWaalsContact CE3-CG2 3.42Å; W287-I511 HydrophobicContact CG-CG2 3.77Å; W287-I511 HydrophobicContact CH2-CB 4.17Å; W287-I511 HydrophobicContact CH2-CD1 3.42Å; W287-I511 VanDerWaalsContact CH2-CD1 3.42Å; W287-I511 HydrophobicContact CH2-CG1 3.54Å; W287-I511 HydrophobicContact CH2-CG2 3.53Å; W287-I511 HydrophobicContact CZ2-CB 4.37Å; W287-I511 HydrophobicContact CZ2-CD1 4.41Å; W287-I511 HydrophobicContact CZ2-CG1 4.14Å; W287-I511 HydrophobicContact CZ2-CG2 3.4Å; W287-I511 VanDerWaalsContact CZ2-CG2 3.4Å; W287-I511 HydrophobicContact CZ3-CB 4.24Å; W287-I511 HydrophobicContact CZ3-CD1 3.1Å; W287-I511 HydrophobicContact CZ3-CG1 3.73Å; W287-I511 HydrophobicContact CZ3-CG2 3.56Å; H507-I511 VanDerWaalsContact O-N 3.14Å; H507-I511 PolarHBondContact O-N 3.07Å; H507-I511 WeakPolarHBondContact O-CG1 3.33Å; H507-I511 WeakPolarHBondContact O-CD1 3.35Å; H507-I511 WeakPolarHBondContact O-CB 3.19Å; V508-I511 PolarHBondContact O-N 3.23Å; I509-I511 VanDerWaalsContact C-N 3.26Å; I509-I511 PolarHBondContact O-N 2.93Å
512	M	24.5	Very low	34.8	Very low	97 Å²	97	40.3 Å²	40.3	48%	0.478	21%	0.209	S	C	.	.	H	α-helix	trans	-85.8	-20.8	-179.6	-71.1	-148.9	179.6	0	0	114	L133 V508 I509	L133-M512 HydrophobicContact CD1-CB 4.42Å; L133-M512 WeakPolarHBondContact CD1-O 3.28Å; V508-M512 PolarHBondContact O-N 3.33Å; I509-M512 PolarHBondContact O-N 2.77Å
513	L	25	Very low	33.8	Very low	143 Å²	143	43.8 Å²	43.8	75%	0.749	23%	0.227	S	C	*	.			trans	-79	0	166.2	-75.2	166.4	0	0	0	109.1	I509	I509-L513 HydrophobicContact CG2-CD1 3.97Å; I509-L513 PolarHBondContact O-N 3.33Å; I509-L513 VanDerWaalsContact O-N 3.12Å

Retrieved 513 of 513 residues in 169.8 ms (Link to these results)

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