A0A087X0R9_HUMAN Loading...

Solute carrier family 3 member 1

AlphaFold DB , UniProt , Accession A0A087X0R9, Species HUMAN (Homo sapiens, Human), Gene SLC3A1, Length 552 aa.

Structure Viewer

Loading PAE data...

(Predicted Aligned Error values between residue pairs)

Download Structure PDB PAE Table

Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	34.9	Very low	30.9	Very low	241 Å²	241	162.1 Å²	162.1	100%	1.187	83%	0.832	S	S	*	*				0	89.4	0	-69.9	172.7	93.4	0	0	105.5
2	A	32.9	Very low	30.5	Very low	88 Å²	88	164.6 Å²	164.6	73%	0.727	84%	0.838	S	S	*	*				79.3	100.1	107.1	0	0	0	0	0	109.9
3	E	31.6	Very low	30.3	Very low	193 Å²	193	165.5 Å²	165.5	90%	0.902	84%	0.84	S	S	*	*				67.5	137.9	99.1	-82.1	-174.1	172.4	0	0	112
4	D	31.3	Very low	30.3	Very low	127 Å²	127	161.1 Å²	161.1	68%	0.679	83%	0.832	S	S	*	*			cis	-179.3	169.4	2	178	21.8	0	0	0	105.5
5	K	31.5	Very low	30.5	Very low	168 Å²	168	163.1 Å²	163.1	73%	0.73	84%	0.839	S	S	*	*			trans	91.8	93.7	155.6	-55.1	-168.9	178.9	168.4	0	121.2
6	S	30.7	Very low	30.6	Very low	111 Å²	111	165.3 Å²	165.3	78%	0.776	84%	0.841	S	S	*	*				12.6	119.6	107.1	175.9	0	0	0	0	117.3
7	K	29.9	Very low	30.5	Very low	197 Å²	197	159.8 Å²	159.8	86%	0.857	84%	0.835	S	S	*	*			trans	-151.7	115.2	143.3	-106.4	176.1	-176.7	-175.8	0	110.3
8	R	29.8	Very low	30.5	Very low	239 Å²	239	158.3 Å²	158.3	90%	0.902	84%	0.839	S	S	*	*			trans	-76.4	124.5	161.8	-82.6	174.4	171.1	167.2	-3.7	107.5
9	D	29.4	Very low	30.7	Very low	152 Å²	152	160.2 Å²	160.2	81%	0.813	84%	0.842	S	S	*	*			trans	-88.2	115.3	166.9	-78.3	-26.6	0	0	0	109.4
10	S	28.2	Very low	30.8	Very low	113 Å²	113	158.2 Å²	158.2	79%	0.79	84%	0.837	S	S	*	*			trans	-84.8	112.4	168.5	49.3	0	0	0	0	109
11	I	29.1	Very low	30.8	Very low	154 Å²	154	158.4 Å²	158.4	79%	0.79	84%	0.839	S	S	*	*			trans	-92.1	104.2	168.7	-62.6	177.1	0	0	0	107.7	M13	I11-M13 PolarHBondContact O-N 3.1Å
12	E	26.4	Very low	30.7	Very low	192 Å²	192	153.7 Å²	153.7	90%	0.897	82%	0.818	S	S	*	*			trans	-63.7	116.7	164.4	-95.6	178.7	147.8	0	0	109.8
13	M	28.5	Very low	30.5	Very low	176 Å²	176	152.6 Å²	152.6	87%	0.867	82%	0.816	S	S	*	*			trans	-94.3	109	166.2	-77.1	-178.3	64.2	0	0	109.7	I11 M15	I11-M13 PolarHBondContact O-N 3.1Å; M13-M15 PolarHBondContact O-N 3.42Å
14	S	30.4	Very low	30.4	Very low	105 Å²	105	153.3 Å²	153.3	73%	0.734	82%	0.816	S	S	*	*			trans	-67.5	118.3	169.5	142.8	0	0	0	0	110.2	K16	S14-K16 PolarHBondContact O-N 3.06Å; S14-K16 VanDerWaalsContact O-N 3.14Å
15	M	32.1	Very low	30.4	Very low	190 Å²	190	153.2 Å²	153.2	94%	0.936	82%	0.82	S	S	*	*			trans	-63.6	109.2	170.2	-73.6	-166.6	-76	0	0	110.6	M13	M13-M15 PolarHBondContact O-N 3.42Å
16	K	32	Very low	30.3	Very low	198 Å²	198	153.6 Å²	153.6	86%	0.861	82%	0.824	S	S	*	*	P	Polyproline II helix	trans	-81.2	136.9	163.5	-86.6	-177.4	175.1	178.2	0	109.2	S14	S14-K16 PolarHBondContact O-N 3.06Å; S14-K16 VanDerWaalsContact O-N 3.14Å
17	G	30.3	Very low	30.3	Very low	73 Å²	73	154.4 Å²	154.4	75%	0.753	82%	0.82	S	S	*	*	P	Polyproline II helix	trans	-53.3	138.9	-163.4	0	0	0	0	0	116.6	Q19	G17-Q19 PolarHBondContact O-N 3.12Å
18	C	29.7	Very low	30.5	Very low	133 Å²	133	154 Å²	154	90%	0.899	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-59.8	123.8	162.8	-66.3	0	0	0	0	110
19	Q	33.8	Very low	30.6	Very low	193 Å²	193	150.1 Å²	150.1	90%	0.902	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-79.2	121.2	161.7	-75.6	-178	-19.9	0	0	108.5	G17	G17-Q19 PolarHBondContact O-N 3.12Å
20	T	33.7	Very low	30.6	Very low	121 Å²	121	150.5 Å²	150.5	74%	0.742	82%	0.818	S	S	*	*	P	Polyproline II helix	trans	-71.4	123.4	172.5	44	0	0	0	0	110.1	N22	T20-N22 PolarHBondContact O-N 3.35Å
21	N	30.4	Very low	30.6	Very low	162 Å²	162	152.8 Å²	152.8	87%	0.866	82%	0.821	S	S	*	*	P	Polyproline II helix	trans	-74.5	117	169.8	-165.8	1.1	0	0	0	108.6	G23	N21-G23 PolarHBondContact O-N 2.98Å
22	N	32	Very low	30.6	Very low	143 Å²	143	154 Å²	154	77%	0.765	82%	0.823	S	S	*	*			trans	-79.1	115.9	177.2	-78.1	-21.6	0	0	0	109.3	T20	T20-N22 PolarHBondContact O-N 3.35Å
23	G	29.2	Very low	30.8	Very low	65 Å²	65	153.6 Å²	153.6	67%	0.67	82%	0.821	S	S	*	*			trans	-65.2	150.7	178	0	0	0	0	0	114.1	N21	N21-G23 PolarHBondContact O-N 2.98Å
24	F	29	Very low	30.9	Very low	208 Å²	208	151.7 Å²	151.7	91%	0.912	82%	0.82	S	S	*	*			trans	6.5	113.8	146	-110.5	-104.4	0	0	0	116.8
25	V	32.2	Very low	31	Very low	124 Å²	124	152.7 Å²	152.7	75%	0.752	82%	0.824	S	S	*	*			trans	-93.1	122.1	167.4	177	0	0	0	0	108.1
26	H	29.8	Very low	31	Very low	177 Å²	177	151.5 Å²	151.5	82%	0.819	82%	0.821	S	S	*	*			trans	-112	114.7	167	-140.5	-19.3	0	0	0	108.3
27	N	30.4	Very low	31.4	Very low	128 Å²	128	147.6 Å²	147.6	68%	0.684	82%	0.816	S	S	*	*			trans	-73.5	128.5	171.2	-75.5	-16.2	0	0	0	110.1
28	E	34.2	Very low	31.3	Very low	188 Å²	188	147.8 Å²	147.8	88%	0.879	82%	0.818	S	S	*	*			trans	-142.9	120.1	145.2	-75.8	-164.3	159	0	0	109.6
29	D	31.3	Very low	31.2	Very low	158 Å²	158	147.4 Å²	147.4	85%	0.845	82%	0.817	S	S	*	*			trans	-78	133.1	179.8	-74.3	-50.9	0	0	0	111.6
30	I	29.2	Very low	31.1	Very low	159 Å²	159	143.5 Å²	143.5	82%	0.815	81%	0.811	S	S	*	*			trans	-99.4	119.5	166.9	-64.8	175.3	0	0	0	108.1
31	L	29.4	Very low	30.9	Very low	161 Å²	161	144.8 Å²	144.8	84%	0.843	82%	0.818	S	S	*	*			trans	-90.8	108.9	169.8	-93.7	153.7	0	0	0	109.8
32	E	29.1	Very low	30.9	Very low	181 Å²	181	143.9 Å²	143.9	85%	0.846	81%	0.814	S	S	*	*			trans	-87.3	128.9	162.6	-79.7	-175.4	156.1	0	0	110
33	Q	30.1	Very low	30.6	Very low	182 Å²	182	143.6 Å²	143.6	85%	0.85	81%	0.812	S	S	*	*			trans	-116.8	120.6	162.7	-86.4	-175.2	-2.8	0	0	109.5
34	T	30.7	Very low	30.5	Very low	137 Å²	137	146.3 Å²	146.3	84%	0.84	81%	0.811	S	S	*	*			trans	-81.4	152.5	164.8	39.8	0	0	0	0	111
35	P	33.4	Very low	30.5	Very low	126 Å²	126	144.4 Å²	144.4	82%	0.818	80%	0.802	S	S	*	*			trans	-121.9	146.4	148.9	14.3	6.1	0	0	0	113.5
36	D	31.1	Very low	30.3	Very low	164 Å²	164	146.7 Å²	146.7	88%	0.877	80%	0.804	S	S	*	*			trans	-64	167.2	-175.8	-107.3	-28.2	0	0	0	116.5
37	P	40.1	Very low	30.3	Very low	117 Å²	117	142.2 Å²	142.2	76%	0.76	79%	0.793	S	S	*	*			trans	-100	155.7	-174	38.4	-31.5	0	0	0	114.6
38	G	27.6	Very low	30.7	Very low	77 Å²	77	143.5 Å²	143.5	79%	0.794	81%	0.805	S	S	*	*			trans	114.6	112.9	143.6	0	0	0	0	0	117.3
39	S	28.2	Very low	30.5	Very low	125 Å²	125	144.8 Å²	144.8	87%	0.874	80%	0.802	S	S	*	*				-171.6	141.6	113.5	58.4	0	0	0	0	111.1
40	S	32.2	Very low	31	Very low	111 Å²	111	140.9 Å²	140.9	78%	0.776	80%	0.8	S	S	*	*			trans	-89.4	143	-178.7	39.3	0	0	0	0	111.6
41	T	29.8	Very low	31.2	Very low	147 Å²	147	139.9 Å²	139.9	90%	0.902	79%	0.794	S	S	*	*			trans	-160.7	130.9	142.3	36.6	0	0	0	0	111.6
42	D	29.6	Very low	31.4	Very low	143 Å²	143	139.8 Å²	139.8	77%	0.765	79%	0.794	S	S	*	*			trans	-45.3	145.3	168.7	-78	-51	0	0	0	115.4
43	N	26.5	Very low	31.8	Very low	137 Å²	137	134.7 Å²	134.7	73%	0.733	79%	0.79	S	S	*	*				173.8	127.1	100.5	-95.4	-50.4	0	0	0	114.4
44	L	26.9	Very low	32.2	Very low	122 Å²	122	131.5 Å²	131.5	64%	0.639	79%	0.788	S	S	*	*			trans	54	124.5	135.7	-96.9	81	0	0	0	122.6
45	K	29.4	Very low	32.7	Very low	168 Å²	168	133.5 Å²	133.5	73%	0.73	79%	0.788	S	S	*	*			trans	68.9	137.8	139.6	-63.2	177.6	-175.3	169.6	0	115.5
46	H	28	Very low	33.1	Very low	172 Å²	172	136.1 Å²	136.1	80%	0.796	79%	0.789	S	S	*	*			cis	-171.5	154.7	40.6	-132.9	-65.3	0	0	0	108
47	S	28.7	Very low	33.9	Very low	83 Å²	83	132.1 Å²	132.1	58%	0.58	77%	0.772	S	S	*	*			trans	75.6	93.2	142.4	-165.6	0	0	0	0	119	R49	S47-R49 PolarHBondContact O-N 2.79Å; S47-R49 VanDerWaalsContact O-N 3.1Å
48	T	38.8	Very low	34.4	Very low	155 Å²	155	132.7 Å²	132.7	95%	0.951	77%	0.769	S	S	*	*			trans	-50.3	107.7	140.1	6.6	0	0	0	0	109.8
49	R	30.4	Very low	35.6	Very low	215 Å²	215	131.1 Å²	131.1	81%	0.811	74%	0.74	S	S	*	*			trans	-126.2	101.5	162.1	-144.7	178.9	-170.3	-177.1	2.4	107	S47 I51	S47-R49 PolarHBondContact O-N 2.79Å; S47-R49 VanDerWaalsContact O-N 3.1Å; R49-I51 PolarHBondContact O-N 3.14Å
50	G	42.3	Very low	36.8	Very low	77 Å²	77	133.6 Å²	133.6	79%	0.794	74%	0.735	S	S	*	*			trans	-60.5	129.9	171.8	0	0	0	0	0	109.6
51	I	32.3	Very low	38.2	Very low	137 Å²	137	131.5 Å²	131.5	70%	0.703	73%	0.731	S	S	*	*			trans	-138.9	117.4	162.9	-66.8	-172.4	0	0	0	107.3	R49	R49-I51 PolarHBondContact O-N 3.14Å
52	L	35	Very low	40.2	Very low	159 Å²	159	126.9 Å²	126.9	83%	0.832	70%	0.703	S	S	*	*			trans	50.6	110	159.3	-86.8	77.6	0	0	0	117.5	S54	L52-S54 PolarHBondContact O-N 3.13Å
53	G	37.4	Very low	42.6	Very low	74 Å²	74	127 Å²	127	76%	0.763	70%	0.698	S	S	*	*			trans	-51.2	114.6	147.4	0	0	0	0	0	109.7	Q55	G53-Q55 PolarHBondContact O-N 3.27Å
54	S	37	Very low	45.4	Very low	116 Å²	116	124 Å²	124	81%	0.811	69%	0.686	S	S	*	*			trans	-70.2	106.1	140.4	53	0	0	0	0	105.2	L52 E56	L52-S54 PolarHBondContact O-N 3.13Å; S54-E56 PolarHBondContact O-N 3.4Å; S54-E56 VanDerWaalsContact O-N 3.12Å
55	Q	41.3	Very low	48.4	Very low	178 Å²	178	123.6 Å²	123.6	83%	0.832	68%	0.678	S	S	*	*			trans	-38	119.7	167.2	-71.6	170.1	-35.9	0	0	108.9	G53 P57	G53-Q55 PolarHBondContact O-N 3.27Å; Q55-P57 WeakPolarHBondContact O-CD 3.36Å; Q55-P57 VanDerWaalsContact O-N 3.14Å
56	E	42	Very low	51.3	Low	182 Å²	182	120.5 Å²	120.5	85%	0.85	68%	0.683	S	S	*	*			trans	-51.6	120.7	146.5	-84	-174.6	160.8	0	0	104.5	S54 D58	S54-E56 PolarHBondContact O-N 3.4Å; S54-E56 VanDerWaalsContact O-N 3.12Å; E56-D58 PolarHBondContact O-N 3.46Å
57	P	48.5	Very low	54.4	Low	80 Å²	80	116 Å²	116	52%	0.519	68%	0.683	S	S	.	*			trans	-59.3	120	179.6	-13	24.5	0	0	0	106.4	Q55 F59	Q55-P57 WeakPolarHBondContact O-CD 3.36Å; Q55-P57 VanDerWaalsContact O-N 3.14Å; P57-F59 HydrophobicContact CB-CD1 4.38Å; P57-F59 HydrophobicContact CB-CD2 3.83Å; P57-F59 HydrophobicContact CB-CE1 4.04Å; P57-F59 HydrophobicContact CB-CE2 3.45Å; P57-F59 VanDerWaalsContact CB-CE2 3.45Å; P57-F59 HydrophobicContact CB-CG 4.29Å; P57-F59 HydrophobicContact CB-CZ 3.57Å; P57-F59 HydrophobicContact CG-CD2 4.29Å; P57-F59 HydrophobicContact CG-CE2 3.48Å; P57-F59 VanDerWaalsContact CG-CE2 3.48Å; P57-F59 HydrophobicContact CG-CZ 3.62Å; P57-F59 WeakPolarHBondContact O-CD2 3.05Å; P57-F59 PolarHBondContact O-N 3.03Å
58	D	50.9	Low	57.4	Low	128 Å²	128	114.6 Å²	114.6	68%	0.684	67%	0.668	S	S	*	*			trans	-68.5	87.6	172.7	-172.4	9.7	0	0	0	106.9	E56 K60	E56-D58 PolarHBondContact O-N 3.46Å; D58-K60 PolarHBondContact O-N 3.33Å; D58-K60 VanDerWaalsContact O-N 3.14Å; D58-K60 WeakPolarHBondContact OD1-CB 3.35Å; D58-K60 WeakPolarHBondContact OD1-CG 3.4Å
59	F	53.2	Low	59.7	Low	45 Å²	45	109.4 Å²	109.4	20%	0.197	64%	0.637	C	S	.	*			trans	-75.5	9.7	-177.2	-73.8	-72.9	0	0	0	112.3	P57 G61 V62 E71 V72 Q75	P57-F59 HydrophobicContact CB-CD1 4.38Å; P57-F59 HydrophobicContact CB-CD2 3.83Å; P57-F59 HydrophobicContact CB-CE1 4.04Å; P57-F59 HydrophobicContact CB-CE2 3.45Å; P57-F59 VanDerWaalsContact CB-CE2 3.45Å; P57-F59 HydrophobicContact CB-CG 4.29Å; P57-F59 HydrophobicContact CB-CZ 3.57Å; P57-F59 HydrophobicContact CG-CD2 4.29Å; P57-F59 HydrophobicContact CG-CE2 3.48Å; P57-F59 VanDerWaalsContact CG-CE2 3.48Å; P57-F59 HydrophobicContact CG-CZ 3.62Å; P57-F59 WeakPolarHBondContact O-CD2 3.05Å; P57-F59 PolarHBondContact O-N 3.03Å; F59-G61 PolarHBondContact O-N 3.15Å; F59-V62 HydrophobicContact CB-CG2 4.42Å; F59-V62 HydrophobicContact CD1-CG2 3.99Å; F59-V62 PolarHBondContact O-N 3.2Å; F59-E71 HydrophobicContact CD2-CB 4.08Å; F59-E71 HydrophobicContact CE2-CB 4.01Å; F59-V72 HydrophobicContact CB-CG2 4.36Å; F59-V72 HydrophobicContact CD1-CG2 3.29Å; F59-V72 HydrophobicContact CD2-CG2 4.4Å; F59-V72 HydrophobicContact CE1-CG2 3.48Å; F59-V72 VanDerWaalsContact CE1-CG2 3.48Å; F59-V72 HydrophobicContact CG-CG2 3.8Å; F59-V72 HydrophobicContact CZ-CG2 4.11Å; F59-Q75 PolarHBondContact O-NE2 3.32Å; F59-Q75 PolarHBondContact O-OE1 3.14Å; F59-Q75 VanDerWaalsContact O-OE1 3.13Å
60	K	52.8	Low	62.7	Low	176 Å²	176	105.5 Å²	105.5	77%	0.765	63%	0.626	S	S	*	*	T	Hydrogen-bonded Turn	trans	-63	108.5	176.6	-79.1	179.8	179.1	173	0	110.3	D58	D58-K60 PolarHBondContact O-N 3.33Å; D58-K60 VanDerWaalsContact O-N 3.14Å; D58-K60 WeakPolarHBondContact OD1-CB 3.35Å; D58-K60 WeakPolarHBondContact OD1-CG 3.4Å
61	G	62.1	Low	64.9	Low	68 Å²	68	107 Å²	107	70%	0.701	61%	0.612	S	S	*	*	T	Hydrogen-bonded Turn	trans	100.9	6.6	175.6	0	0	0	0	0	115.2	F59 Q63	F59-G61 PolarHBondContact O-N 3.15Å; G61-Q63 PolarHBondContact O-N 3.26Å
62	V	70.2	Confident	67.4	Low	49 Å²	49	100.4 Å²	100.4	30%	0.297	58%	0.578	S	S	.	*	P	Polyproline II helix	trans	-73.5	119.6	174.7	178.4	0	0	0	0	109.9	F59 Y65 V72 F76	F59-V62 HydrophobicContact CB-CG2 4.42Å; F59-V62 HydrophobicContact CD1-CG2 3.99Å; F59-V62 PolarHBondContact O-N 3.2Å; V62-Y65 HydrophobicContact CG1-CD1 4.4Å; V62-Y65 HydrophobicContact CG1-CE1 3.93Å; V62-V72 HydrophobicContact CG1-CG1 4.31Å; V62-F76 WeakPolarHBondContact O-CE2 3.43Å; V62-F76 WeakPolarHBondContact O-CZ 3.07Å
63	Q	80.6	Confident	70.1	Confident	145 Å²	145	96.7 Å²	96.7	68%	0.678	56%	0.559	S	S	*	*	P	Polyproline II helix	trans	-68.3	152.1	178.6	-68	-65.5	-24.2	0	0	111.6	G61 Y65	G61-Q63 PolarHBondContact O-N 3.26Å; Q63-Y65 WeakPolarHBondContact O-CD1 3.13Å; Q63-Y65 PolarHBondContact O-N 3.39Å
64	P	86.3	Confident	72.8	Confident	74 Å²	74	99.5 Å²	99.5	48%	0.481	55%	0.55	S	S	.	*	P	Polyproline II helix	trans	-65	134.2	177.1	26.1	-32.7	0	0	0	111.5	M68	P64-M68 HydrophobicContact CB-CE 4.16Å; P64-M68 HydrophobicContact CB-SD 3.84Å
65	Y	88.3	Confident	75.2	Confident	115 Å²	115	97.9 Å²	97.9	45%	0.451	53%	0.53	S	S	.	.			trans	-132.8	172.4	175.3	58.2	-90.2	0	0	0	110.6	V62 Q63 M68 P69 V72	V62-Y65 HydrophobicContact CG1-CD1 4.4Å; V62-Y65 HydrophobicContact CG1-CE1 3.93Å; Q63-Y65 WeakPolarHBondContact O-CD1 3.13Å; Q63-Y65 PolarHBondContact O-N 3.39Å; Y65-M68 HydrophobicContact CD1-CG 4.31Å; Y65-M68 HydrophobicContact CD2-CG 4.44Å; Y65-M68 HydrophobicContact CE1-CG 4.31Å; Y65-M68 HydrophobicContact CE2-CG 4.44Å; Y65-M68 HydrophobicContact CG-CG 4.37Å; Y65-M68 VanDerWaalsContact O-CG 3.27Å; Y65-M68 WeakPolarHBondContact O-CG 3.37Å; Y65-P69 WeakPolarHBondContact OH-CD 3.27Å; Y65-V72 HydrophobicContact CE1-CG1 4.47Å
66	A	91.7	Very high	77.6	Confident	102 Å²	102	91.2 Å²	91.2	84%	0.843	50%	0.498	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.4	131.4	178.8	0	0	0	0	0	111.2
67	G	91.7	Very high	79.9	Confident	77 Å²	77	83.6 Å²	83.6	79%	0.794	47%	0.465	S	S	*	.	T	Hydrogen-bonded Turn	trans	78.8	34.8	178.5	0	0	0	0	0	115
68	M	92.1	Very high	82	Confident	55 Å²	55	82 Å²	82	27%	0.271	46%	0.463	S	S	.	.			trans	-55	137.9	179	-69.7	178	-74.3	0	0	112.8	P64 Y65 V72 L73 F76	P64-M68 HydrophobicContact CB-CE 4.16Å; P64-M68 HydrophobicContact CB-SD 3.84Å; Y65-M68 HydrophobicContact CD1-CG 4.31Å; Y65-M68 HydrophobicContact CD2-CG 4.44Å; Y65-M68 HydrophobicContact CE1-CG 4.31Å; Y65-M68 HydrophobicContact CE2-CG 4.44Å; Y65-M68 HydrophobicContact CG-CG 4.37Å; Y65-M68 VanDerWaalsContact O-CG 3.27Å; Y65-M68 WeakPolarHBondContact O-CG 3.37Å; M68-V72 HydrophobicContact CB-CB 4.34Å; M68-V72 HydrophobicContact CB-CG1 4.33Å; M68-V72 HydrophobicContact CG-CG1 4.01Å; M68-V72 HydrophobicContact SD-CG1 3.82Å; M68-L73 HydrophobicContact CE-CD1 4.1Å; M68-F76 HydrophobicContact SD-CD2 4.41Å
69	P	87.2	Confident	83.9	Confident	46 Å²	46	78.9 Å²	78.9	30%	0.299	45%	0.445	S	S	.	.			trans	-70.8	163.4	168.9	31.5	-34.2	0	0	0	110.8	Y65 E71 V72 L73	Y65-P69 WeakPolarHBondContact OH-CD 3.27Å; P69-E71 VanDerWaalsContact C-N 3.27Å; P69-E71 PolarHBondContact O-N 2.95Å; P69-V72 HydrophobicContact CG-CB 4.27Å; P69-V72 HydrophobicContact CG-CG2 3.85Å; P69-V72 PolarHBondContact O-N 2.92Å; P69-V72 VanDerWaalsContact O-N 3.15Å; P69-L73 PolarHBondContact O-N 3.37Å
70	K	92.8	Very high	85.8	Confident	133 Å²	133	80 Å²	80	58%	0.578	46%	0.462	S	S	*	.	H	α-helix	trans	-52.3	-43.1	-173.4	-178.7	-176.2	179.3	-175.1	0	113	V72 L73 F74	K70-V72 VanDerWaalsContact C-N 3.35Å; K70-V72 PolarHBondContact O-N 3.23Å; K70-L73 PolarHBondContact O-N 3.03Å; K70-F74 HydrophobicContact CD-CE2 4.08Å; K70-F74 VanDerWaalsContact CE-CE2 3.46Å; K70-F74 HydrophobicContact CG-CD2 4.06Å; K70-F74 HydrophobicContact CG-CE2 3.54Å; K70-F74 HydrophobicContact CG-CZ 4Å; K70-F74 WeakPolarHBondContact O-CD2 3.38Å; K70-F74 PolarHBondContact O-N 3.47Å; K70-F74 VanDerWaalsContact O-N 3.14Å
71	E	88.8	Confident	87.7	Confident	107 Å²	107	79.2 Å²	79.2	50%	0.5	45%	0.454	S	S	.	.	H	α-helix	trans	-66.7	-35.4	-175.4	-61.3	67.6	-143.5	0	0	111.9	F59 P69	F59-E71 HydrophobicContact CD2-CB 4.08Å; F59-E71 HydrophobicContact CE2-CB 4.01Å; P69-E71 VanDerWaalsContact C-N 3.27Å; P69-E71 PolarHBondContact O-N 2.95Å
72	V	86.3	Confident	89.1	Confident	0 Å²	0	81.7 Å²	81.7	0%	0	44%	0.443	C	S	.	.	H	α-helix	trans	-77.6	-40.5	175.7	-179.6	0	0	0	0	110.3	F59 V62 Y65 M68 P69 K70 F74 Q75 F76	F59-V72 HydrophobicContact CB-CG2 4.36Å; F59-V72 HydrophobicContact CD1-CG2 3.29Å; F59-V72 HydrophobicContact CD2-CG2 4.4Å; F59-V72 HydrophobicContact CE1-CG2 3.48Å; F59-V72 VanDerWaalsContact CE1-CG2 3.48Å; F59-V72 HydrophobicContact CG-CG2 3.8Å; F59-V72 HydrophobicContact CZ-CG2 4.11Å; V62-V72 HydrophobicContact CG1-CG1 4.31Å; Y65-V72 HydrophobicContact CE1-CG1 4.47Å; M68-V72 HydrophobicContact CB-CB 4.34Å; M68-V72 HydrophobicContact CB-CG1 4.33Å; M68-V72 HydrophobicContact CG-CG1 4.01Å; M68-V72 HydrophobicContact SD-CG1 3.82Å; P69-V72 HydrophobicContact CG-CB 4.27Å; P69-V72 HydrophobicContact CG-CG2 3.85Å; P69-V72 PolarHBondContact O-N 2.92Å; P69-V72 VanDerWaalsContact O-N 3.15Å; K70-V72 VanDerWaalsContact C-N 3.35Å; K70-V72 PolarHBondContact O-N 3.23Å; V72-F74 VanDerWaalsContact C-N 3.34Å; V72-F74 PolarHBondContact O-N 3.36Å; V72-Q75 PolarHBondContact O-N 3.13Å; V72-F76 HydrophobicContact CG1-CE2 4.11Å; V72-F76 VanDerWaalsContact O-CD2 3.28Å; V72-F76 WeakPolarHBondContact O-CD2 3.43Å
73	L	91.6	Very high	90.2	Very high	80 Å²	80	86.3 Å²	86.3	42%	0.419	46%	0.455	S	S	.	.	H	α-helix	trans	-61.9	-36.9	-179.3	-179.1	63.9	0	0	0	113.2	M68 P69 K70 Q75 F76 S77	M68-L73 HydrophobicContact CE-CD1 4.1Å; P69-L73 PolarHBondContact O-N 3.37Å; K70-L73 PolarHBondContact O-N 3.03Å; L73-Q75 VanDerWaalsContact C-N 3.25Å; L73-Q75 PolarHBondContact O-N 3.2Å; L73-F76 PolarHBondContact O-N 2.94Å; L73-S77 WeakPolarHBondContact O-CB 3.32Å; L73-S77 PolarHBondContact O-N 2.92Å; L73-S77 PolarHBondContact O-OG 3.19Å
74	F	92.7	Very high	90.9	Very high	134 Å²	134	84.2 Å²	84.2	59%	0.588	45%	0.448	S	S	*	.	H	α-helix	trans	-65.5	-26.4	179.9	-75.8	-39.7	0	0	0	114.1	K70 V72 F76	K70-F74 HydrophobicContact CD-CE2 4.08Å; K70-F74 VanDerWaalsContact CE-CE2 3.46Å; K70-F74 HydrophobicContact CG-CD2 4.06Å; K70-F74 HydrophobicContact CG-CE2 3.54Å; K70-F74 HydrophobicContact CG-CZ 4Å; K70-F74 WeakPolarHBondContact O-CD2 3.38Å; K70-F74 PolarHBondContact O-N 3.47Å; K70-F74 VanDerWaalsContact O-N 3.14Å; V72-F74 VanDerWaalsContact C-N 3.34Å; V72-F74 PolarHBondContact O-N 3.36Å; F74-F76 VanDerWaalsContact C-N 3.25Å; F74-F76 PolarHBondContact O-N 3.47Å
75	Q	89.1	Confident	91.3	Very high	81 Å²	81	83.6 Å²	83.6	38%	0.379	44%	0.444	S	S	.	.	H	α-helix	trans	-68.9	-25.7	177.7	-57	-177.5	18	0	0	112.6	F59 V72 L73	F59-Q75 PolarHBondContact O-NE2 3.32Å; F59-Q75 PolarHBondContact O-OE1 3.14Å; F59-Q75 VanDerWaalsContact O-OE1 3.13Å; V72-Q75 PolarHBondContact O-N 3.13Å; L73-Q75 VanDerWaalsContact C-N 3.25Å; L73-Q75 PolarHBondContact O-N 3.2Å
76	F	89.7	Confident	91.7	Very high	39 Å²	39	84.4 Å²	84.4	17%	0.171	45%	0.446	C	S	.	.	H	α-helix	trans	-107.3	-39.3	-176.4	-60.4	-75.6	0	0	0	113.4	V62 M68 V72 L73 F74 G78 Q79 Y82	V62-F76 WeakPolarHBondContact O-CE2 3.43Å; V62-F76 WeakPolarHBondContact O-CZ 3.07Å; M68-F76 HydrophobicContact SD-CD2 4.41Å; V72-F76 HydrophobicContact CG1-CE2 4.11Å; V72-F76 VanDerWaalsContact O-CD2 3.28Å; V72-F76 WeakPolarHBondContact O-CD2 3.43Å; L73-F76 PolarHBondContact O-N 2.94Å; F74-F76 VanDerWaalsContact C-N 3.25Å; F74-F76 PolarHBondContact O-N 3.47Å; F76-G78 PolarHBondContact O-N 3.12Å; F76-Q79 WeakPolarHBondContact O-CB 3.28Å; F76-Q79 VanDerWaalsContact O-CG 3.26Å; F76-Q79 WeakPolarHBondContact O-CG 3.37Å; F76-Q79 PolarHBondContact O-N 3.06Å; F76-Q79 VanDerWaalsContact O-N 3.13Å; F76-Y82 WeakPolarHBondContact O-CD2 3.26Å
77	S	92.1	Very high	91.9	Very high	22 Å²	22	83.4 Å²	83.4	15%	0.154	42%	0.424	C	S	.	.	H	α-helix	trans	-65.4	-21.5	-173.3	61.7	0	0	0	0	114.6	L73 Q79	L73-S77 WeakPolarHBondContact O-CB 3.32Å; L73-S77 PolarHBondContact O-N 2.92Å; L73-S77 PolarHBondContact O-OG 3.19Å; S77-Q79 VanDerWaalsContact C-N 3.33Å
78	G	91.1	Very high	92.2	Very high	47 Å²	47	84.4 Å²	84.4	49%	0.485	41%	0.41	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.6	-11.1	176.1	0	0	0	0	0	114.9	F76	F76-G78 PolarHBondContact O-N 3.12Å
79	Q	91.6	Very high	92.4	Very high	62 Å²	62	87 Å²	87	29%	0.29	42%	0.424	S	S	.	.	S	Bend	trans	-64.8	145.3	-179.1	-64	175	10.7	0	0	111.2	F76 S77 R81 Y82 R83	F76-Q79 WeakPolarHBondContact O-CB 3.28Å; F76-Q79 VanDerWaalsContact O-CG 3.26Å; F76-Q79 WeakPolarHBondContact O-CG 3.37Å; F76-Q79 PolarHBondContact O-N 3.06Å; F76-Q79 VanDerWaalsContact O-N 3.13Å; S77-Q79 VanDerWaalsContact C-N 3.33Å; Q79-R81 HydrophobicContact CB-CG 4.22Å; Q79-R81 PolarHBondContact O-N 3.47Å; Q79-R81 VanDerWaalsContact O-N 3.12Å; Q79-R81 VanDerWaalsContact OE1-CZ 3.24Å; Q79-Y82 HydrophobicContact CB-CD2 4.24Å; Q79-Y82 PolarHBondContact O-N 3.03Å; Q79-R83 PolarHBondContact O-N 3.37Å
80	A	92.4	Very high	92.9	Very high	67 Å²	67	90.5 Å²	90.5	55%	0.554	44%	0.435	S	S	*	.	H	α-helix	trans	-53.1	-39.4	-175	0	0	0	0	0	113.4	Y82 R83 I84	A80-Y82 PolarHBondContact O-N 3.37Å; A80-R83 PolarHBondContact O-N 3.35Å; A80-I84 HydrophobicContact CB-CD1 4.36Å; A80-I84 PolarHBondContact O-N 3.36Å; A80-I84 VanDerWaalsContact O-N 3.15Å
81	R	92.9	Very high	93.1	Very high	160 Å²	160	91.7 Å²	91.7	60%	0.604	44%	0.436	S	S	*	.	H	α-helix	trans	-61.4	-20.4	177.7	62.7	175	163.9	171.2	-3.4	115.1	Q79 P85	Q79-R81 HydrophobicContact CB-CG 4.22Å; Q79-R81 PolarHBondContact O-N 3.47Å; Q79-R81 VanDerWaalsContact O-N 3.12Å; Q79-R81 VanDerWaalsContact OE1-CZ 3.24Å; R81-P85 WeakPolarHBondContact O-CD 3.37Å; R81-P85 WeakPolarHBondContact O-CG 3.46Å
82	Y	92.9	Very high	93.5	Very high	121 Å²	121	91.5 Å²	91.5	48%	0.475	44%	0.438	S	S	.	.	H	α-helix	trans	-109.9	-32.7	177.5	-60.3	-61.3	0	0	0	112.4	F76 Q79 A80 R86	F76-Y82 WeakPolarHBondContact O-CD2 3.26Å; Q79-Y82 HydrophobicContact CB-CD2 4.24Å; Q79-Y82 PolarHBondContact O-N 3.03Å; A80-Y82 PolarHBondContact O-N 3.37Å; Y82-R86 VanDerWaalsContact O-CB 3.3Å; Y82-R86 WeakPolarHBondContact O-CB 3.31Å; Y82-R86 PolarHBondContact O-N 3.15Å
83	R	93.1	Very high	94.1	Very high	145 Å²	145	95.6 Å²	95.6	55%	0.547	46%	0.463	S	S	.	.	H	α-helix	trans	-70.3	-48.1	-179.4	-170.6	177.3	-179.3	-179.8	-0.4	112.6	Q79 A80 R86 E87	Q79-R83 PolarHBondContact O-N 3.37Å; A80-R83 PolarHBondContact O-N 3.35Å; R83-R86 PolarHBondContact O-N 3.16Å; R83-E87 HydrophobicContact CG-CG 4.46Å; R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 3.01Å
84	I	93.9	Very high	94.4	Very high	101 Å²	101	94.4 Å²	94.4	52%	0.518	46%	0.459	S	S	.	.	H	α-helix	trans	-63.7	-49.4	-176.8	-61.8	170.1	0	0	0	111.3	A80 R86 E87 I88	A80-I84 HydrophobicContact CB-CD1 4.36Å; A80-I84 PolarHBondContact O-N 3.36Å; A80-I84 VanDerWaalsContact O-N 3.15Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.42Å; I84-E87 PolarHBondContact O-N 2.85Å; I84-I88 HydrophobicContact CG2-CD1 3.6Å; I84-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 WeakPolarHBondContact O-CB 3.39Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.3Å; I84-I88 PolarHBondContact O-N 2.78Å
85	P	96.3	Very high	94.6	Very high	62 Å²	62	90.2 Å²	90.2	40%	0.403	45%	0.449	S	S	.	.	H	α-helix	trans	-62	-36.6	177.9	-24.4	36.5	0	0	0	113.1	R81 L89	R81-P85 WeakPolarHBondContact O-CD 3.37Å; R81-P85 WeakPolarHBondContact O-CG 3.46Å; P85-L89 WeakPolarHBondContact O-CB 3.37Å; P85-L89 VanDerWaalsContact O-CG 3.24Å; P85-L89 WeakPolarHBondContact O-CG 3.11Å; P85-L89 PolarHBondContact O-N 3.37Å
86	R	95.7	Very high	95	Very high	132 Å²	132	89 Å²	89	50%	0.498	45%	0.45	S	S	.	.	H	α-helix	trans	-65.1	-46.8	177.7	-175.3	-179.8	63.5	-169.8	-2.8	112.3	Y82 R83 I84 L89 F90	Y82-R86 VanDerWaalsContact O-CB 3.3Å; Y82-R86 WeakPolarHBondContact O-CB 3.31Å; Y82-R86 PolarHBondContact O-N 3.15Å; R83-R86 PolarHBondContact O-N 3.16Å; I84-R86 VanDerWaalsContact C-N 3.3Å; I84-R86 PolarHBondContact O-N 3.42Å; R86-L89 PolarHBondContact O-N 3.02Å; R86-F90 PolarHBondContact O-N 2.71Å
87	E	96.4	Very high	95.4	Very high	80 Å²	80	90.7 Å²	90.7	37%	0.374	46%	0.463	S	S	.	.	H	α-helix	trans	-64.8	-43	177	-68.5	-67	160.4	0	0	111.5	R83 I84 F90 W91	R83-E87 HydrophobicContact CG-CG 4.46Å; R83-E87 WeakPolarHBondContact O-CG 3.48Å; R83-E87 PolarHBondContact O-N 3.01Å; I84-E87 PolarHBondContact O-N 2.85Å; E87-F90 PolarHBondContact O-N 3.33Å; E87-W91 PolarHBondContact O-N 3.24Å
88	I	96.9	Very high	95.7	Very high	98 Å²	98	95 Å²	95	50%	0.503	48%	0.483	S	S	.	.	H	α-helix	trans	-59.5	-49.4	176	-69.9	172.9	0	0	0	110.3	I84 F90 W91 L92	I84-I88 HydrophobicContact CG2-CD1 3.6Å; I84-I88 HydrophobicContact CG2-CG1 4.25Å; I84-I88 WeakPolarHBondContact O-CB 3.39Å; I84-I88 VanDerWaalsContact O-CG1 3.31Å; I84-I88 WeakPolarHBondContact O-CG1 3.3Å; I84-I88 PolarHBondContact O-N 2.78Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 2.96Å; I88-W91 PolarHBondContact O-N 3.16Å; I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 PolarHBondContact O-N 3.46Å
89	L	97.1	Very high	96.1	Very high	110 Å²	110	97.4 Å²	97.4	58%	0.576	49%	0.489	S	S	*	.	H	α-helix	trans	-61.9	-38	-179.9	-74.3	171.5	0	0	0	112.5	P85 R86 T93	P85-L89 WeakPolarHBondContact O-CB 3.37Å; P85-L89 VanDerWaalsContact O-CG 3.24Å; P85-L89 WeakPolarHBondContact O-CG 3.11Å; P85-L89 PolarHBondContact O-N 3.37Å; R86-L89 PolarHBondContact O-N 3.02Å; L89-T93 WeakPolarHBondContact O-CB 3.31Å; L89-T93 PolarHBondContact O-N 2.97Å; L89-T93 PolarHBondContact O-OG1 3.38Å
90	F	97.4	Very high	96.4	Very high	119 Å²	119	100 Å²	100	52%	0.522	50%	0.504	S	S	.	.	H	α-helix	trans	-63.2	-54.7	175.1	176.1	-98.9	0	0	0	111.6	R86 E87 I88 L92 T93 V94	R86-F90 PolarHBondContact O-N 2.71Å; E87-F90 PolarHBondContact O-N 3.33Å; I88-F90 VanDerWaalsContact C-N 3.31Å; I88-F90 PolarHBondContact O-N 2.96Å; F90-L92 VanDerWaalsContact C-N 3.32Å; F90-L92 PolarHBondContact O-N 2.94Å; F90-T93 WeakPolarHBondContact O-CB 3.24Å; F90-T93 PolarHBondContact O-N 3.48Å; F90-T93 VanDerWaalsContact O-N 3.16Å; F90-V94 HydrophobicContact CE1-CG2 4.17Å; F90-V94 HydrophobicContact CE2-CG2 4.5Å; F90-V94 HydrophobicContact CZ-CG2 4.12Å; F90-V94 PolarHBondContact O-N 3.43Å
91	W	97.5	Very high	96.6	Very high	158 Å²	158	101 Å²	101	60%	0.598	50%	0.499	S	S	*	.	H	α-helix	trans	-67.2	-33.4	-179.2	-74.2	111.4	0	0	0	113	E87 I88 T93 V94 A95	E87-W91 PolarHBondContact O-N 3.24Å; I88-W91 PolarHBondContact O-N 3.16Å; W91-T93 VanDerWaalsContact C-N 3.32Å; W91-V94 HydrophobicContact CE3-CB 4.43Å; W91-V94 PolarHBondContact O-N 3.5Å; W91-A95 VanDerWaalsContact O-CB 3.31Å; W91-A95 WeakPolarHBondContact O-CB 3.38Å; W91-A95 PolarHBondContact O-N 2.97Å
92	L	97.8	Very high	96.9	Very high	103 Å²	103	96.1 Å²	96.1	54%	0.539	49%	0.493	S	S	.	.	H	α-helix	trans	-65.9	-38.5	174.3	-160	70	0	0	0	110.5	I88 F90 A95 S96	I88-L92 WeakPolarHBondContact O-CB 3.41Å; I88-L92 PolarHBondContact O-N 3.46Å; F90-L92 VanDerWaalsContact C-N 3.32Å; F90-L92 PolarHBondContact O-N 2.94Å; L92-A95 PolarHBondContact O-N 3.48Å; L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.49Å; L92-S96 PolarHBondContact O-N 2.86Å; L92-S96 PolarHBondContact O-OG 3.3Å
93	T	97.7	Very high	97.2	Very high	86 Å²	86	92.4 Å²	92.4	53%	0.528	49%	0.488	S	S	.	.	H	α-helix	trans	-64	-45.9	174.3	-58.5	0	0	0	0	111.3	L89 F90 W91 A95 S96 V97	L89-T93 WeakPolarHBondContact O-CB 3.31Å; L89-T93 PolarHBondContact O-N 2.97Å; L89-T93 PolarHBondContact O-OG1 3.38Å; F90-T93 WeakPolarHBondContact O-CB 3.24Å; F90-T93 PolarHBondContact O-N 3.48Å; F90-T93 VanDerWaalsContact O-N 3.16Å; W91-T93 VanDerWaalsContact C-N 3.32Å; T93-A95 PolarHBondContact O-N 3.38Å; T93-S96 PolarHBondContact O-N 3.25Å; T93-V97 WeakPolarHBondContact O-CG2 3.31Å; T93-V97 PolarHBondContact O-N 3.38Å
94	V	97.8	Very high	97.4	Very high	55 Å²	55	89.2 Å²	89.2	33%	0.333	48%	0.484	S	S	.	.	H	α-helix	trans	-60.1	-46.7	175.6	174.2	0	0	0	0	111	F90 W91 S96 V97 L98	F90-V94 HydrophobicContact CE1-CG2 4.17Å; F90-V94 HydrophobicContact CE2-CG2 4.5Å; F90-V94 HydrophobicContact CZ-CG2 4.12Å; F90-V94 PolarHBondContact O-N 3.43Å; W91-V94 HydrophobicContact CE3-CB 4.43Å; W91-V94 PolarHBondContact O-N 3.5Å; V94-S96 VanDerWaalsContact C-N 3.35Å; V94-S96 PolarHBondContact O-N 3.42Å; V94-V97 PolarHBondContact O-N 2.88Å; V94-L98 PolarHBondContact O-N 3.29Å; V94-L98 VanDerWaalsContact O-N 3.16Å
95	A	97.6	Very high	97.6	Very high	46 Å²	46	89.4 Å²	89.4	38%	0.38	49%	0.485	S	S	.	.	H	α-helix	trans	-62.3	-41.3	176.2	0	0	0	0	0	111.8	W91 L92 T93 V97 L98 V99	W91-A95 VanDerWaalsContact O-CB 3.31Å; W91-A95 WeakPolarHBondContact O-CB 3.38Å; W91-A95 PolarHBondContact O-N 2.97Å; L92-A95 PolarHBondContact O-N 3.48Å; T93-A95 PolarHBondContact O-N 3.38Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 2.95Å; A95-L98 PolarHBondContact O-N 2.84Å; A95-V99 WeakPolarHBondContact O-CB 3.43Å; A95-V99 VanDerWaalsContact O-CG2 3.28Å; A95-V99 WeakPolarHBondContact O-CG2 3.28Å; A95-V99 PolarHBondContact O-N 2.78Å
96	S	97.9	Very high	97.6	Very high	57 Å²	57	88.5 Å²	88.5	40%	0.399	48%	0.483	S	S	.	.	H	α-helix	trans	-61.4	-40.4	176	-68.3	0	0	0	0	112.1	L92 T93 V94 V99 L100	L92-S96 VanDerWaalsContact O-CB 3.31Å; L92-S96 WeakPolarHBondContact O-CB 3.49Å; L92-S96 PolarHBondContact O-N 2.86Å; L92-S96 PolarHBondContact O-OG 3.3Å; T93-S96 PolarHBondContact O-N 3.25Å; V94-S96 VanDerWaalsContact C-N 3.35Å; V94-S96 PolarHBondContact O-N 3.42Å; S96-V99 PolarHBondContact O-N 2.93Å; S96-L100 WeakPolarHBondContact O-CB 3.24Å; S96-L100 VanDerWaalsContact O-CG 3.24Å; S96-L100 WeakPolarHBondContact O-CG 3.42Å; S96-L100 PolarHBondContact O-N 3.46Å
97	V	98.3	Very high	97.7	Very high	74 Å²	74	87.4 Å²	87.4	45%	0.448	49%	0.486	S	S	.	.	H	α-helix	trans	-61.3	-46	174.7	171.6	0	0	0	0	110.8	T93 V94 A95 V99 L100 I101	T93-V97 WeakPolarHBondContact O-CG2 3.31Å; T93-V97 PolarHBondContact O-N 3.38Å; V94-V97 PolarHBondContact O-N 2.88Å; A95-V97 VanDerWaalsContact C-N 3.35Å; A95-V97 PolarHBondContact O-N 2.95Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.44Å; V97-L100 PolarHBondContact O-N 3.33Å; V97-I101 HydrophobicContact CG1-CD1 3.86Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.14Å
98	L	97.9	Very high	97.8	Very high	111 Å²	111	89.5 Å²	89.5	58%	0.581	50%	0.498	S	S	*	.	H	α-helix	trans	-64.1	-39.3	177.5	-66.1	177.5	0	0	0	112.3	V94 A95 I101 A102	V94-L98 PolarHBondContact O-N 3.29Å; V94-L98 VanDerWaalsContact O-N 3.16Å; A95-L98 PolarHBondContact O-N 2.84Å; L98-I101 PolarHBondContact O-N 2.89Å; L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.24Å
99	V	98.1	Very high	97.7	Very high	99 Å²	99	88.7 Å²	88.7	60%	0.6	51%	0.506	S	S	*	.	H	α-helix	trans	-64.4	-42.7	175.2	169	0	0	0	0	111	A95 S96 V97 A102 A103	A95-V99 WeakPolarHBondContact O-CB 3.43Å; A95-V99 VanDerWaalsContact O-CG2 3.28Å; A95-V99 WeakPolarHBondContact O-CG2 3.28Å; A95-V99 PolarHBondContact O-N 2.78Å; S96-V99 PolarHBondContact O-N 2.93Å; V97-V99 VanDerWaalsContact C-N 3.34Å; V97-V99 PolarHBondContact O-N 3.44Å; V99-A102 PolarHBondContact O-N 3.04Å; V99-A103 VanDerWaalsContact O-CB 3.26Å; V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 2.88Å
100	L	98.3	Very high	97.7	Very high	117 Å²	117	90.5 Å²	90.5	61%	0.613	52%	0.516	S	S	*	.	H	α-helix	trans	-63.1	-44.1	176.7	-72.8	171.5	0	0	0	111.2	S96 V97 A103 T104	S96-L100 WeakPolarHBondContact O-CB 3.24Å; S96-L100 VanDerWaalsContact O-CG 3.24Å; S96-L100 WeakPolarHBondContact O-CG 3.42Å; S96-L100 PolarHBondContact O-N 3.46Å; V97-L100 PolarHBondContact O-N 3.33Å; L100-A103 PolarHBondContact O-N 3.43Å; L100-T104 WeakPolarHBondContact O-CB 3.26Å; L100-T104 PolarHBondContact O-N 3.37Å; L100-T104 PolarHBondContact O-OG1 2.83Å
101	I	98.2	Very high	97.7	Very high	87 Å²	87	88.1 Å²	88.1	45%	0.446	51%	0.514	S	S	.	.	H	α-helix	trans	-62.2	-47.8	175.8	-67.7	166.8	0	0	0	110.6	V97 L98 A103 T104 I105	V97-I101 HydrophobicContact CG1-CD1 3.86Å; V97-I101 VanDerWaalsContact O-CG1 3.31Å; V97-I101 WeakPolarHBondContact O-CG1 3.31Å; V97-I101 PolarHBondContact O-N 3.14Å; L98-I101 PolarHBondContact O-N 2.89Å; I101-A103 VanDerWaalsContact C-N 3.32Å; I101-A103 PolarHBondContact O-N 3.46Å; I101-T104 PolarHBondContact O-N 3.42Å; I101-I105 HydrophobicContact CG2-CD1 3.72Å; I101-I105 HydrophobicContact CG2-CG1 4.38Å; I101-I105 VanDerWaalsContact O-CG1 3.3Å; I101-I105 WeakPolarHBondContact O-CG1 3.32Å; I101-I105 PolarHBondContact O-N 3.43Å
102	A	98.3	Very high	97.5	Very high	57 Å²	57	86.1 Å²	86.1	47%	0.471	52%	0.521	S	S	.	.	H	α-helix	trans	-61.5	-40.9	178.7	0	0	0	0	0	111.8	L98 V99 I105 A106	L98-A102 VanDerWaalsContact O-CB 3.31Å; L98-A102 WeakPolarHBondContact O-CB 3.31Å; L98-A102 PolarHBondContact O-N 3.24Å; V99-A102 PolarHBondContact O-N 3.04Å; A102-I105 PolarHBondContact O-N 2.89Å; A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.3Å; A102-A106 PolarHBondContact O-N 3.46Å
103	A	98.1	Very high	97.3	Very high	44 Å²	44	88.9 Å²	88.9	36%	0.364	53%	0.529	S	S	.	.	H	α-helix	trans	-64.2	-44	175.3	0	0	0	0	0	111.6	V99 L100 I101 A106 I107	V99-A103 VanDerWaalsContact O-CB 3.26Å; V99-A103 WeakPolarHBondContact O-CB 3.49Å; V99-A103 PolarHBondContact O-N 2.88Å; L100-A103 PolarHBondContact O-N 3.43Å; I101-A103 VanDerWaalsContact C-N 3.32Å; I101-A103 PolarHBondContact O-N 3.46Å; A103-A106 PolarHBondContact O-N 3.46Å; A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.19Å; A103-I107 PolarHBondContact O-N 2.96Å
104	T	98.3	Very high	97.2	Very high	78 Å²	78	89.6 Å²	89.6	48%	0.479	54%	0.536	S	S	.	.	H	α-helix	trans	-60.9	-46.5	175.3	-62.7	0	0	0	0	111.7	L100 I101 A106 I107 I108	L100-T104 WeakPolarHBondContact O-CB 3.26Å; L100-T104 PolarHBondContact O-N 3.37Å; L100-T104 PolarHBondContact O-OG1 2.83Å; I101-T104 PolarHBondContact O-N 3.42Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.34Å; T104-I107 PolarHBondContact O-N 3.47Å; T104-I108 HydrophobicContact CG2-CD1 3.81Å; T104-I108 HydrophobicContact CG2-CG1 4.49Å; T104-I108 WeakPolarHBondContact O-CG1 3.24Å; T104-I108 PolarHBondContact O-N 2.9Å
105	I	98.1	Very high	97.2	Very high	104 Å²	104	90.8 Å²	90.8	53%	0.533	54%	0.541	S	S	.	.	H	α-helix	trans	-61.3	-44.2	177.1	-66.8	167.8	0	0	0	110.4	I101 A102 I107 I108 A109	I101-I105 HydrophobicContact CG2-CD1 3.72Å; I101-I105 HydrophobicContact CG2-CG1 4.38Å; I101-I105 VanDerWaalsContact O-CG1 3.3Å; I101-I105 WeakPolarHBondContact O-CG1 3.32Å; I101-I105 PolarHBondContact O-N 3.43Å; A102-I105 PolarHBondContact O-N 2.89Å; I105-I107 PolarHBondContact O-N 3.29Å; I105-I108 PolarHBondContact O-N 3.46Å; I105-A109 VanDerWaalsContact O-CB 3.26Å; I105-A109 WeakPolarHBondContact O-CB 3.29Å; I105-A109 PolarHBondContact O-N 2.89Å
106	A	97.3	Very high	97.2	Very high	43 Å²	43	90.6 Å²	90.6	36%	0.355	53%	0.533	S	S	.	.	H	α-helix	trans	-61.4	-43	177.9	0	0	0	0	0	111.8	A102 A103 T104 A109 L110	A102-A106 VanDerWaalsContact O-CB 3.29Å; A102-A106 WeakPolarHBondContact O-CB 3.3Å; A102-A106 PolarHBondContact O-N 3.46Å; A103-A106 PolarHBondContact O-N 3.46Å; T104-A106 VanDerWaalsContact C-N 3.33Å; T104-A106 PolarHBondContact O-N 3.34Å; A106-A109 PolarHBondContact O-N 3.32Å; A106-L110 VanDerWaalsContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.24Å; A106-L110 PolarHBondContact O-N 3.45Å
107	I	97.8	Very high	97.2	Very high	110 Å²	110	88.6 Å²	88.6	56%	0.564	52%	0.517	S	S	*	.	H	α-helix	trans	-62.8	-47.4	176.9	-68.9	163.6	0	0	0	110.5	A103 T104 I105 A109 L110 S111	A103-I107 VanDerWaalsContact O-CG1 3.24Å; A103-I107 WeakPolarHBondContact O-CG1 3.19Å; A103-I107 PolarHBondContact O-N 2.96Å; T104-I107 PolarHBondContact O-N 3.47Å; I105-I107 PolarHBondContact O-N 3.29Å; I107-A109 VanDerWaalsContact C-N 3.35Å; I107-A109 PolarHBondContact O-N 3.4Å; I107-L110 PolarHBondContact O-N 2.64Å; I107-S111 WeakPolarHBondContact O-CB 3.24Å; I107-S111 PolarHBondContact O-N 2.98Å; I107-S111 PolarHBondContact O-OG 3.44Å
108	I	97.1	Very high	97.2	Very high	124 Å²	124	85.8 Å²	85.8	64%	0.636	50%	0.498	S	S	*	.	H	α-helix	trans	-62.6	-43.5	-179.9	-67.8	169.4	0	0	0	110.8	T104 I105	T104-I108 HydrophobicContact CG2-CD1 3.81Å; T104-I108 HydrophobicContact CG2-CG1 4.49Å; T104-I108 WeakPolarHBondContact O-CG1 3.24Å; T104-I108 PolarHBondContact O-N 2.9Å; I105-I108 PolarHBondContact O-N 3.46Å
109	A	96.3	Very high	97.2	Very high	80 Å²	80	82.4 Å²	82.4	66%	0.661	48%	0.479	S	S	*	.	H	α-helix	trans	-73.1	-28.4	-177.1	0	0	0	0	0	113.9	I105 A106 I107	I105-A109 VanDerWaalsContact O-CB 3.26Å; I105-A109 WeakPolarHBondContact O-CB 3.29Å; I105-A109 PolarHBondContact O-N 2.89Å; A106-A109 PolarHBondContact O-N 3.32Å; I107-A109 VanDerWaalsContact C-N 3.35Å; I107-A109 PolarHBondContact O-N 3.4Å
110	L	96.6	Very high	97.2	Very high	148 Å²	148	83.1 Å²	83.1	78%	0.775	48%	0.476	S	S	*	.	H	α-helix	trans	-96.1	-10.3	-178.9	-64.2	174.3	0	0	0	113.4	A106 I107	A106-L110 VanDerWaalsContact O-CB 3.24Å; A106-L110 WeakPolarHBondContact O-CB 3.26Å; A106-L110 WeakPolarHBondContact O-CG 3.24Å; A106-L110 PolarHBondContact O-N 3.45Å; I107-L110 PolarHBondContact O-N 2.64Å
111	S	96.5	Very high	97.2	Very high	69 Å²	69	78.2 Å²	78.2	48%	0.483	45%	0.453	S	S	.	.	S	Bend	trans	-68	128.2	176.8	-68.6	0	0	0	0	109.6	I107	I107-S111 WeakPolarHBondContact O-CB 3.24Å; I107-S111 PolarHBondContact O-N 2.98Å; I107-S111 PolarHBondContact O-OG 3.44Å
112	P	94.5	Very high	97.2	Very high	117 Å²	117	74.8 Å²	74.8	76%	0.76	44%	0.437	S	S	*	.	P	Polyproline II helix	trans	-64.7	155.9	174.9	29.3	-34.6	0	0	0	109.9	C114	P112-C114 PolarHBondContact O-N 2.98Å
113	K	93.3	Very high	97.2	Very high	160 Å²	160	72 Å²	72	70%	0.696	41%	0.414	S	S	*	.	P	Polyproline II helix	trans	-58.3	130	164.1	-165.5	-167.2	174.4	-156.5	0	107.5	D116	K113-D116 IonicContact NZ-OD1 3.78Å; K113-D116 PolarHBondContact NZ-OD1 2.99Å; K113-D116 IonicContact NZ-OD2 3.87Å; K113-D116 PolarHBondContact NZ-OD2 3.28Å
114	C	94.9	Very high	97.3	Very high	102 Å²	102	70 Å²	70	69%	0.689	40%	0.397	S	S	*	.	P	Polyproline II helix	trans	-65.9	162	171.3	61.9	0	0	0	0	110.4	P112	P112-C114 PolarHBondContact O-N 2.98Å
115	L	97.2	Very high	97.3	Very high	80 Å²	80	66.7 Å²	66.7	42%	0.419	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-62.1	146.8	176.8	-68.6	160.2	0	0	0	110.3	Q119 E120 W440	L115-Q119 HydrophobicContact CB-CB 4.16Å; L115-Q119 HydrophobicContact CD2-CB 3.77Å; L115-Q119 HydrophobicContact CD2-CG 4.45Å; L115-Q119 HydrophobicContact CG-CB 4.49Å; L115-E120 HydrophobicContact CB-CG 4.06Å; L115-W440 HydrophobicContact CD2-CE3 4.34Å; L115-W440 HydrophobicContact CD2-CH2 3.54Å; L115-W440 HydrophobicContact CD2-CZ2 4.37Å; L115-W440 HydrophobicContact CD2-CZ3 3.52Å
116	D	97.5	Very high	97.3	Very high	42 Å²	42	61.7 Å²	61.7	23%	0.225	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-83.1	157.7	168.5	-72.1	-53.1	0	0	0	109.7	K113 W118 Q119 E120	K113-D116 IonicContact NZ-OD1 3.78Å; K113-D116 PolarHBondContact NZ-OD1 2.99Å; K113-D116 IonicContact NZ-OD2 3.87Å; K113-D116 PolarHBondContact NZ-OD2 3.28Å; D116-W118 PolarHBondContact O-N 3.03Å; D116-Q119 WeakPolarHBondContact O-CA 3.31Å; D116-Q119 WeakPolarHBondContact O-CB 3.47Å; D116-Q119 PolarHBondContact O-N 3.39Å; D116-E120 PolarHBondContact O-N 3.18Å
117	W	98.4	Very high	97.4	Very high	15 Å²	15	60 Å²	60	6%	0.057	34%	0.335	C	S	.	.	H	α-helix	trans	-55.2	-28.6	-171	61.7	-97.7	0	0	0	115.2	Q119 E120 T159 K206 I208 D309 Y378 F380	W117-Q119 VanDerWaalsContact C-N 3.27Å; W117-Q119 PolarHBondContact O-N 3.48Å; W117-E120 PolarHBondContact O-N 3.45Å; W117-T159 HydrophobicContact CZ3-CG2 3.87Å; W117-T159 WeakPolarHBondContact CZ3-OG1 3.36Å; W117-K206 HydrophobicContact CD2-CB 4.39Å; W117-K206 HydrophobicContact CD2-CD 4.15Å; W117-K206 HydrophobicContact CD2-CG 3.79Å; W117-K206 HydrophobicContact CE3-CB 3.76Å; W117-K206 HydrophobicContact CE3-CD 4.35Å; W117-K206 HydrophobicContact CE3-CG 3.56Å; W117-K206 HydrophobicContact CG-CD 4.45Å; W117-K206 HydrophobicContact CG-CG 4.23Å; W117-K206 HydrophobicContact CH2-CB 4.27Å; W117-K206 HydrophobicContact CZ3-CB 3.7Å; W117-K206 HydrophobicContact CZ3-CG 4.03Å; W117-I208 HydrophobicContact CH2-CG2 4Å; W117-D309 HydrophobicContact CH2-CB 4.11Å; W117-D309 HydrophobicContact CZ2-CB 3.99Å; W117-D309 WeakPolarHBondContact CZ2-O 3.13Å; W117-Y378 PolarHBondContact NE1-O 2.94Å; W117-F380 HydrophobicContact CH2-CB 3.44Å; W117-F380 VanDerWaalsContact CH2-CB 3.44Å; W117-F380 HydrophobicContact CH2-CG 4.28Å; W117-F380 HydrophobicContact CZ2-CB 3.57Å; W117-F380 HydrophobicContact CZ3-CB 4.49Å
118	W	98.6	Very high	97.4	Very high	15 Å²	15	54.8 Å²	54.8	6%	0.057	31%	0.308	C	S	.	.	H	α-helix	trans	-77.6	-13.4	179.4	60.5	-95	0	0	0	112.9	D116 M123 Y378 F380 D406 F407 W440 T475	D116-W118 PolarHBondContact O-N 3.03Å; W118-M123 HydrophobicContact CB-CE 4.21Å; W118-Y378 AromaticContact CD1-CD1 3.82Å; W118-Y378 AromaticContact CD1-CE1 3.98Å; W118-Y378 AromaticContact NE1-CD1 3.72Å; W118-Y378 AromaticContact NE1-CE1 3.58Å; W118-F380 HydrophobicContact CB-CD2 3.89Å; W118-F380 HydrophobicContact CD2-CD2 4.17Å; W118-F380 HydrophobicContact CE3-CE2 4.44Å; W118-F380 AromaticContact CG-CD2 3.91Å; W118-F380 HydrophobicContact CG-CD2 3.91Å; W118-D406 HydrophobicContact CD2-CB 4.48Å; W118-D406 HydrophobicContact CH2-CB 4.11Å; W118-D406 HydrophobicContact CZ2-CB 4.07Å; W118-D406 HydrophobicContact CZ3-CB 4.33Å; W118-F407 AromaticContact CE3-CD1 3.95Å; W118-F407 HydrophobicContact CE3-CD1 3.95Å; W118-F407 AromaticContact CE3-CE1 3.7Å; W118-F407 HydrophobicContact CE3-CE1 3.7Å; W118-F407 AromaticContact CZ3-CD1 3.67Å; W118-F407 HydrophobicContact CZ3-CD1 3.67Å; W118-F407 AromaticContact CZ3-CE1 3.92Å; W118-F407 HydrophobicContact CZ3-CE1 3.92Å; W118-W440 HydrophobicContact CH2-CB 3.74Å; W118-W440 HydrophobicContact CH2-CG 4.08Å; W118-W440 HydrophobicContact CZ3-CB 3.67Å; W118-W440 AromaticContact CZ3-CD1 3.44Å; W118-W440 VanDerWaalsContact CZ3-CD1 3.44Å; W118-W440 AromaticContact CZ3-CG 3.63Å; W118-W440 HydrophobicContact CZ3-CG 3.63Å; W118-T475 PolarHBondContact O-OG1 3.48Å
119	Q	98.6	Very high	97.5	Very high	39 Å²	39	49.1 Å²	49.1	18%	0.182	28%	0.279	C	S	.	.	H	α-helix	trans	-97.6	-17.2	175	-55.3	177.5	-59.8	0	0	112.4	L115 D116 W117 W440	L115-Q119 HydrophobicContact CB-CB 4.16Å; L115-Q119 HydrophobicContact CD2-CB 3.77Å; L115-Q119 HydrophobicContact CD2-CG 4.45Å; L115-Q119 HydrophobicContact CG-CB 4.49Å; D116-Q119 WeakPolarHBondContact O-CA 3.31Å; D116-Q119 WeakPolarHBondContact O-CB 3.47Å; D116-Q119 PolarHBondContact O-N 3.39Å; W117-Q119 VanDerWaalsContact C-N 3.27Å; W117-Q119 PolarHBondContact O-N 3.48Å; Q119-W440 HydrophobicContact CB-CD2 4.08Å; Q119-W440 HydrophobicContact CB-CH2 4.16Å; Q119-W440 HydrophobicContact CB-CZ2 3.68Å; Q119-W440 HydrophobicContact CG-CD2 3.85Å; Q119-W440 HydrophobicContact CG-CE3 4.37Å; Q119-W440 HydrophobicContact CG-CG 4.04Å; Q119-W440 HydrophobicContact CG-CZ2 4.39Å; Q119-W440 VanDerWaalsContact O-CZ2 3.28Å; Q119-W440 WeakPolarHBondContact O-CZ2 3.46Å
120	E	97.6	Very high	97.6	Very high	115 Å²	115	45.3 Å²	45.3	54%	0.537	25%	0.248	S	C	.	.	H	α-helix	trans	-78.8	-33.3	-171.7	-72.2	178.3	166.2	0	0	114.2	L115 D116 W117	L115-E120 HydrophobicContact CB-CG 4.06Å; D116-E120 PolarHBondContact O-N 3.18Å; W117-E120 PolarHBondContact O-N 3.45Å
121	G	97.2	Very high	97.7	Very high	13 Å²	13	38.3 Å²	38.3	13%	0.134	21%	0.211	C	C	.	.	S	Bend	trans	-155.3	172	-171.7	0	0	0	0	0	114.7
122	P	98.8	Very high	97.8	Very high	15 Å²	15	36.7 Å²	36.7	10%	0.097	20%	0.195	C	C	.	.			trans	-64.8	150.7	-174.4	19.7	-28.5	0	0	0	113.7	N156 I157 K158 T159 F470 P476	P122-N156 WeakPolarHBondContact CG-O 3.39Å; P122-I157 HydrophobicContact CB-CD1 3.88Å; P122-I157 HydrophobicContact CG-CD1 3.82Å; P122-K158 PolarHBondContact O-N 3.37Å; P122-T159 PolarHBondContact O-N 2.86Å; P122-T159 VanDerWaalsContact O-N 3.14Å; P122-F470 HydrophobicContact CB-CE1 3.92Å; P122-F470 HydrophobicContact CB-CZ 4.13Å; P122-F470 HydrophobicContact CG-CE1 3.89Å; P122-F470 HydrophobicContact CG-CZ 4.31Å; P122-P476 VanDerWaalsContact CA-O 3.29Å; P122-P476 WeakPolarHBondContact CA-O 3.32Å; P122-P476 HydrophobicContact CB-CG 3.93Å
123	M	98.9	Very high	98	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	16%	0.16	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	143.4	165.2	-51.5	-171.2	166	0	0	110.7	W118 T159 I208 F380 F407 T475 P476 I477 T478	W118-M123 HydrophobicContact CB-CE 4.21Å; M123-T159 CarbonylContact C-O 3.58Å; M123-T159 VanDerWaalsContact CA-O 3.29Å; M123-T159 WeakPolarHBondContact CA-O 3.48Å; M123-T159 HydrophobicContact CG-CG2 4.3Å; M123-I208 HydrophobicContact SD-CD1 4.05Å; M123-F380 HydrophobicContact CE-CD2 4.39Å; M123-F380 HydrophobicContact CE-CE1 4.29Å; M123-F380 HydrophobicContact CE-CE2 4.08Å; M123-F380 HydrophobicContact CE-CZ 4.04Å; M123-F407 HydrophobicContact CE-CE1 4.29Å; M123-F407 HydrophobicContact CE-CZ 3.72Å; M123-F407 HydrophobicContact SD-CZ 4.13Å; M123-T475 HydrophobicContact CE-CG2 4.25Å; M123-T475 HydrophobicContact CG-CG2 3.84Å; M123-T475 HydrophobicContact SD-CG2 4.4Å; M123-P476 PolarHBondContact N-O 3.07Å; M123-I477 HydrophobicContact CB-CB 4.46Å; M123-I477 HydrophobicContact CB-CG1 4.09Å; M123-I477 HydrophobicContact CB-CG2 4.29Å; M123-I477 HydrophobicContact CG-CG1 4.26Å; M123-I477 WeakPolarHBondContact O-CA 3.48Å; M123-I477 HydrophobicContact SD-CD1 4.3Å; M123-I477 HydrophobicContact SD-CG1 4.24Å; M123-T478 PolarHBondContact O-N 3.34Å
124	Y	98.9	Very high	98.2	Very high	1 Å²	1	26 Å²	26	0%	0.004	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.8	111.1	177.7	-165.4	-108	0	0	0	110.6	I126 F131 L155 I157 T159 W161 T478 Y480 E483	Y124-I126 HydrophobicContact CD1-CD1 3.99Å; Y124-I126 HydrophobicContact CD1-CG1 3.63Å; Y124-I126 HydrophobicContact CE1-CD1 4.28Å; Y124-I126 HydrophobicContact CE1-CG1 3.89Å; Y124-F131 AromaticContact CE1-CE2 3.89Å; Y124-F131 HydrophobicContact CE1-CE2 3.89Å; Y124-F131 HydrophobicContact CE1-CZ 4.25Å; Y124-L155 HydrophobicContact CE2-CD1 4.27Å; Y124-I157 HydrophobicContact CD2-CD1 4.11Å; Y124-I157 HydrophobicContact CD2-CG1 4.33Å; Y124-I157 HydrophobicContact CG-CD1 4.35Å; Y124-I157 HydrophobicContact CG-CG1 4.26Å; Y124-T159 PolarHBondContact N-O 3Å; Y124-W161 PolarHBondContact O-N 3.09Å; Y124-T478 CarbonylContact C-O 3.46Å; Y124-T478 WeakPolarHBondContact CA-O 3.45Å; Y124-T478 HydrophobicContact CD2-CG2 4.1Å; Y124-T478 HydrophobicContact CE2-CG2 4.05Å; Y124-Y480 WeakPolarHBondContact OH-CA 3.29Å; Y124-Y480 WeakPolarHBondContact OH-CB 3.23Å; Y124-E483 WeakPolarHBondContact CE2-OE2 3.48Å; Y124-E483 PolarHBondContact OH-OE1 3.41Å; Y124-E483 PolarHBondContact OH-OE2 3.29Å
125	Q	98.9	Very high	98.4	Very high	8 Å²	8	25.1 Å²	25.1	4%	0.037	13%	0.132	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	117.4	-177.1	-169	-174.1	39.5	0	0	110.8	W161 T163 T478 Y479 Y480	Q125-W161 CarbonylContact C-O 3.56Å; Q125-W161 WeakPolarHBondContact CA-O 3.3Å; Q125-W161 HydrophobicContact CB-CB 4.44Å; Q125-W161 HydrophobicContact CB-CD2 4.29Å; Q125-W161 HydrophobicContact CB-CE3 4Å; Q125-W161 HydrophobicContact CG-CD2 3.8Å; Q125-W161 HydrophobicContact CG-CE3 3.84Å; Q125-W161 HydrophobicContact CG-CG 4.12Å; Q125-W161 HydrophobicContact CG-CZ3 4.34Å; Q125-W161 VanDerWaalsContact NE2-CH2 3.25Å; Q125-W161 VanDerWaalsContact NE2-CZ2 3.27Å; Q125-T163 HydrophobicContact CG-CG2 4.15Å; Q125-T478 PolarHBondContact N-O 2.58Å; Q125-Y479 HydrophobicContact CB-CD2 4.27Å; Q125-Y479 HydrophobicContact CG-CD2 4.32Å; Q125-Y480 PolarHBondContact O-N 3.18Å
126	I	98.9	Very high	98.5	Very high	0 Å²	0	27 Å²	27	0%	0	14%	0.137	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	125.9	-178	-63.2	-177.8	0	0	0	109.5	Y124 P128 F131 I145 I152 V160 W161 T163	Y124-I126 HydrophobicContact CD1-CD1 3.99Å; Y124-I126 HydrophobicContact CD1-CG1 3.63Å; Y124-I126 HydrophobicContact CE1-CD1 4.28Å; Y124-I126 HydrophobicContact CE1-CG1 3.89Å; I126-P128 WeakPolarHBondContact O-CD 3.47Å; I126-F131 HydrophobicContact CD1-CD1 4.25Å; I126-F131 HydrophobicContact CD1-CD2 4.36Å; I126-F131 HydrophobicContact CD1-CE1 3.98Å; I126-F131 HydrophobicContact CD1-CE2 4.14Å; I126-F131 HydrophobicContact CD1-CG 4.41Å; I126-F131 HydrophobicContact CD1-CZ 3.93Å; I126-F131 HydrophobicContact CG1-CD2 4.31Å; I126-F131 HydrophobicContact CG1-CE2 4.27Å; I126-F131 HydrophobicContact CG2-CB 3.65Å; I126-F131 HydrophobicContact CG2-CD1 4.26Å; I126-F131 HydrophobicContact CG2-CD2 3.89Å; I126-F131 HydrophobicContact CG2-CG 3.67Å; I126-I145 HydrophobicContact CD1-CG2 4.15Å; I126-I145 HydrophobicContact CG2-CD1 4.1Å; I126-I145 HydrophobicContact CG2-CG1 4.46Å; I126-I152 HydrophobicContact CD1-CD1 3.85Å; I126-V160 HydrophobicContact CD1-CG1 3.68Å; I126-V160 HydrophobicContact CG1-CG1 4.3Å; I126-W161 PolarHBondContact N-O 3.01Å; I126-T163 PolarHBondContact O-N 2.95Å; I126-T163 VanDerWaalsContact O-N 3.08Å
127	Y	98.6	Very high	98.5	Very high	6 Å²	6	28.6 Å²	28.6	2%	0.024	15%	0.145	C	C	.	.			trans	-88.5	105.6	163.4	-171.6	-99.3	0	0	0	108.8	R129 S130 F131 T163 Y175 Y498 K506 W526	Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R129 HydrophobicContact CD1-CB 4.21Å; Y127-R129 HydrophobicContact CE1-CB 3.74Å; Y127-R129 PolarHBondContact O-N 3.23Å; Y127-S130 PolarHBondContact O-N 3.4Å; Y127-S130 VanDerWaalsContact O-N 3.07Å; Y127-F131 PolarHBondContact O-N 3.47Å; Y127-T163 WeakPolarHBondContact CD2-OG1 3.45Å; Y127-Y175 WeakPolarHBondContact CE2-OH 3.41Å; Y127-Y498 WeakPolarHBondContact OH-CE1 3.43Å; Y127-Y498 PolarHBondContact OH-OH 3.04Å; Y127-K506 HydrophobicContact CD1-CB 4.41Å; Y127-K506 HydrophobicContact CE1-CB 4.25Å; Y127-K506 HydrophobicContact CE1-CG 4.43Å; Y127-K506 HydrophobicContact CE2-CD 4.33Å; Y127-W526 HydrophobicContact CD1-CZ2 4.33Å; Y127-W526 AromaticContact CE1-CH2 3.76Å; Y127-W526 HydrophobicContact CE1-CH2 3.76Å; Y127-W526 AromaticContact CE1-CZ2 3.57Å; Y127-W526 HydrophobicContact CE1-CZ2 3.57Å
128	P	98.3	Very high	98.4	Very high	1 Å²	1	27.9 Å²	27.9	1%	0.006	14%	0.142	C	C	.	.	G	3₁₀ helix	trans	-62.5	-38	-161.1	22.5	-32.3	0	0	0	112.9	I126 S130 F131 G140 I145 I162 T163 F187	I126-P128 WeakPolarHBondContact O-CD 3.47Å; P128-S130 PolarHBondContact O-N 2.9Å; P128-F131 PolarHBondContact O-N 3.37Å; P128-G140 CarbonylContact O-C 3.55Å; P128-G140 WeakPolarHBondContact O-CA 3.22Å; P128-I145 HydrophobicContact CB-CD1 4.06Å; P128-I162 HydrophobicContact CB-CG2 4.09Å; P128-I162 HydrophobicContact CG-CG2 4.07Å; P128-T163 WeakPolarHBondContact CD-OG1 3.47Å; P128-F187 HydrophobicContact CB-CD1 4.2Å; P128-F187 HydrophobicContact CB-CE1 4.1Å; P128-F187 HydrophobicContact CG-CD1 4.44Å; P128-F187 HydrophobicContact CG-CE1 3.99Å; P128-F187 HydrophobicContact CG-CZ 4.11Å
129	R	98.3	Very high	98.4	Very high	6 Å²	6	28.1 Å²	28.1	2%	0.023	15%	0.145	C	C	.	.	G	3₁₀ helix	trans	-62	-16.5	-179.6	-153.7	177.6	178.1	176.9	0	113.8	Y127 N139 G140 I186 F187 E496 Y498 W526	Y127-R129 VanDerWaalsContact C-N 3.34Å; Y127-R129 HydrophobicContact CD1-CB 4.21Å; Y127-R129 HydrophobicContact CE1-CB 3.74Å; Y127-R129 PolarHBondContact O-N 3.23Å; R129-N139 HydrophobicContact CG-CB 4.25Å; R129-N139 PolarHBondContact NE-OD1 2.96Å; R129-N139 PolarHBondContact NH2-OD1 2.97Å; R129-N139 VanDerWaalsContact NH2-OD1 3.11Å; R129-G140 WeakPolarHBondContact O-CA 3.38Å; R129-G140 PolarHBondContact O-N 3.37Å; R129-I186 HydrophobicContact CG-CD1 4.15Å; R129-F187 HydrophobicContact CB-CE1 3.73Å; R129-F187 HydrophobicContact CB-CZ 4.21Å; R129-F187 HydrophobicContact CG-CE1 4.09Å; R129-E496 IonicContact CZ-OE1 3.7Å; R129-E496 IonicContact CZ-OE2 3.15Å; R129-E496 IonicContact NH1-OE1 3.41Å; R129-E496 IonicContact NH1-OE2 3.4Å; R129-E496 PolarHBondContact NH1-OE2 3.21Å; R129-E496 IonicContact NH2-OE1 2.78Å; R129-E496 PolarHBondContact NH2-OE1 3.19Å; R129-E496 IonicContact NH2-OE2 2.84Å; R129-E496 PolarHBondContact NH2-OE2 3.19Å; R129-Y498 PolarHBondContact NH1-OH 2.69Å; R129-W526 HydrophobicContact CB-CZ2 4.25Å; R129-W526 HydrophobicContact CG-CD2 4Å; R129-W526 HydrophobicContact CG-CG 4.15Å; R129-W526 HydrophobicContact CG-CZ2 4.36Å; R129-W526 PolarHBondContact O-NE1 3.26Å
130	S	98.6	Very high	98.4	Very high	0 Å²	0	26.2 Å²	26.2	0%	0	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-121	7.8	-176.4	-72.5	0	0	0	0	114.6	Y127 P128 Y480 K506 P508 M509 F519 W526	Y127-S130 PolarHBondContact O-N 3.4Å; Y127-S130 VanDerWaalsContact O-N 3.07Å; P128-S130 PolarHBondContact O-N 2.9Å; S130-Y480 WeakPolarHBondContact CB-OH 3.44Å; S130-K506 WeakPolarHBondContact CB-O 3.26Å; S130-K506 PolarHBondContact OG-O 3.31Å; S130-P508 CarbonylContact O-C 3.47Å; S130-P508 WeakPolarHBondContact O-CA 3.49Å; S130-M509 PolarHBondContact O-N 3.2Å; S130-F519 VanDerWaalsContact C-CE2 3.45Å; S130-W526 VanDerWaalsContact OG-CE2 3.31Å; S130-W526 WeakPolarHBondContact OG-CZ2 3.31Å; S130-W526 PolarHBondContact OG-NE1 3.16Å
131	F	98.8	Very high	98.5	Very high	0 Å²	0	21 Å²	21	0%	0	11%	0.112	C	C	.	.	T	Hydrogen-bonded Turn	trans	-86.4	-59.6	-176.2	-163.5	-113	0	0	0	113	Y124 I126 Y127 P128 I145 K148 I152 Y480 M509 W511	Y124-F131 AromaticContact CE1-CE2 3.89Å; Y124-F131 HydrophobicContact CE1-CE2 3.89Å; Y124-F131 HydrophobicContact CE1-CZ 4.25Å; I126-F131 HydrophobicContact CD1-CD1 4.25Å; I126-F131 HydrophobicContact CD1-CD2 4.36Å; I126-F131 HydrophobicContact CD1-CE1 3.98Å; I126-F131 HydrophobicContact CD1-CE2 4.14Å; I126-F131 HydrophobicContact CD1-CG 4.41Å; I126-F131 HydrophobicContact CD1-CZ 3.93Å; I126-F131 HydrophobicContact CG1-CD2 4.31Å; I126-F131 HydrophobicContact CG1-CE2 4.27Å; I126-F131 HydrophobicContact CG2-CB 3.65Å; I126-F131 HydrophobicContact CG2-CD1 4.26Å; I126-F131 HydrophobicContact CG2-CD2 3.89Å; I126-F131 HydrophobicContact CG2-CG 3.67Å; Y127-F131 PolarHBondContact O-N 3.47Å; P128-F131 PolarHBondContact O-N 3.37Å; F131-I145 HydrophobicContact CB-CG1 4.37Å; F131-I145 HydrophobicContact CD1-CB 4.32Å; F131-I145 HydrophobicContact CD1-CG1 3.83Å; F131-I145 HydrophobicContact CD1-CG2 4.47Å; F131-I145 HydrophobicContact CG-CG1 4.48Å; F131-K148 HydrophobicContact CE1-CB 3.76Å; F131-K148 HydrophobicContact CE1-CG 4.4Å; F131-K148 HydrophobicContact CZ-CB 4.42Å; F131-I152 HydrophobicContact CE1-CD1 4.29Å; F131-I152 HydrophobicContact CZ-CD1 4.17Å; F131-I152 HydrophobicContact CZ-CG1 4.41Å; F131-Y480 HydrophobicContact CD2-CD2 4.33Å; F131-Y480 HydrophobicContact CD2-CG 4.42Å; F131-M509 WeakPolarHBondContact O-CB 3.33Å; F131-W511 HydrophobicContact CD1-CZ2 4.3Å; F131-W511 HydrophobicContact CD2-CZ2 4.34Å; F131-W511 HydrophobicContact CE1-CH2 4.12Å; F131-W511 AromaticContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE2-CH2 4.09Å; F131-W511 AromaticContact CE2-CZ2 3.97Å; F131-W511 HydrophobicContact CE2-CZ2 3.97Å; F131-W511 AromaticContact CZ-CH2 3.68Å; F131-W511 HydrophobicContact CZ-CH2 3.68Å; F131-W511 AromaticContact CZ-CZ2 3.8Å; F131-W511 HydrophobicContact CZ-CZ2 3.8Å; F131-W511 PolarHBondContact O-NE1 3.12Å
132	K	98.8	Very high	98.5	Very high	36 Å²	36	20.4 Å²	20.4	16%	0.157	11%	0.105	C	C	.	.			trans	-158.2	128.8	176.2	-175.9	70.8	-173.2	78	0	110.5	G140 D141 G144 K148 G518 F519	K132-G140 CarbonylContact O-C 3.53Å; K132-G140 WeakPolarHBondContact O-CA 3.48Å; K132-D141 PolarHBondContact O-N 2.93Å; K132-G144 WeakPolarHBondContact CB-O 3.41Å; K132-K148 HydrophobicContact CB-CG 4.3Å; K132-K148 HydrophobicContact CG-CG 4.25Å; K132-G518 VanDerWaalsContact CE-O 3.25Å; K132-G518 WeakPolarHBondContact CE-O 3.23Å; K132-G518 PolarHBondContact NZ-O 3.29Å; K132-F519 PolarHBondContact NZ-O 3.31Å
133	D	98.8	Very high	98.5	Very high	4 Å²	4	23 Å²	23	2%	0.021	12%	0.115	C	C	.	.			trans	-89.7	127.1	171	173.2	-1	0	0	0	109.1	N135 K136 D137 G138 N139 F519 S520	D133-N135 PolarHBondContact OD1-N 3.42Å; D133-K136 PolarHBondContact OD1-N 3.26Å; D133-K136 WeakPolarHBondContact OD2-CA 3.23Å; D133-D137 PolarHBondContact OD2-N 2.92Å; D133-G138 WeakPolarHBondContact OD2-CA 3.34Å; D133-G138 PolarHBondContact OD2-N 3.17Å; D133-N139 WeakPolarHBondContact CA-O 3.42Å; D133-N139 WeakPolarHBondContact CB-O 3.39Å; D133-N139 VanDerWaalsContact CG-O 3.27Å; D133-F519 HydrophobicContact CB-CE1 4.18Å; D133-F519 HydrophobicContact CB-CE2 4.45Å; D133-F519 HydrophobicContact CB-CZ 4.11Å; D133-F519 PolarHBondContact N-O 2.91Å; D133-F519 VanDerWaalsContact N-O 3.09Å; D133-S520 VanDerWaalsContact OD2-CB 3.24Å; D133-S520 WeakPolarHBondContact OD2-CB 3.48Å; D133-S520 PolarHBondContact OD2-OG 2.96Å
134	S	98.5	Very high	98.5	Very high	48 Å²	48	23 Å²	23	34%	0.336	12%	0.115	S	C	.	.	S	Bend	trans	-105.1	-13.7	178	77.6	0	0	0	0	114	D141	S134-D141 WeakPolarHBondContact CB-OD1 3.47Å; S134-D141 PolarHBondContact N-OD1 2.62Å; S134-D141 PolarHBondContact N-OD2 3.3Å; S134-D141 PolarHBondContact OG-OD1 3.43Å; S134-D141 PolarHBondContact OG-OD2 3.28Å
135	N	98.1	Very high	98.5	Very high	84 Å²	84	23 Å²	23	45%	0.449	12%	0.115	S	C	.	.	S	Bend	trans	-118.9	-0	-167.9	73.6	48.8	0	0	0	114.5	D133 D137 D141	D133-N135 PolarHBondContact OD1-N 3.42Å; N135-D137 VanDerWaalsContact OD1-CB 3.22Å; N135-D137 WeakPolarHBondContact OD1-CB 3.45Å; N135-D137 PolarHBondContact OD1-N 3.11Å; N135-D137 PolarHBondContact OD1-OD1 2.82Å; N135-D141 PolarHBondContact ND2-OD2 3.35Å
136	K	98.3	Very high	98.5	Very high	120 Å²	120	25 Å²	25	52%	0.522	12%	0.124	S	C	.	.	S	Bend	trans	71.4	31.2	172.8	-41.5	-178.3	-176.6	-164.4	0	114	D133 E521 A522	D133-K136 PolarHBondContact OD1-N 3.26Å; D133-K136 WeakPolarHBondContact OD2-CA 3.23Å; K136-E521 HydrophobicContact CD-CB 4.06Å; K136-E521 WeakPolarHBondContact CE-OE2 3.48Å; K136-E521 HydrophobicContact CG-CB 4.12Å; K136-E521 IonicContact NZ-OE2 3.76Å; K136-E521 PolarHBondContact NZ-OE2 2.93Å; K136-A522 WeakPolarHBondContact O-CB 3.49Å
137	D	97.7	Very high	98.5	Very high	74 Å²	74	29.3 Å²	29.3	40%	0.396	15%	0.148	S	C	.	.	S	Bend	trans	-96.7	-6.8	173.5	79.9	-19	0	0	0	113.6	D133 N135 N139	D133-D137 PolarHBondContact OD2-N 2.92Å; N135-D137 VanDerWaalsContact OD1-CB 3.22Å; N135-D137 WeakPolarHBondContact OD1-CB 3.45Å; N135-D137 PolarHBondContact OD1-N 3.11Å; N135-D137 PolarHBondContact OD1-OD1 2.82Å; D137-N139 WeakPolarHBondContact OD1-CA 3.35Å; D137-N139 WeakPolarHBondContact OD1-CB 3.49Å; D137-N139 PolarHBondContact OD1-N 3.15Å; D137-N139 PolarHBondContact OD2-ND2 3.46Å
138	G	97.6	Very high	98.5	Very high	1 Å²	1	31.8 Å²	31.8	1%	0.01	16%	0.158	C	C	.	.	S	Bend	trans	87	3.2	-179.1	0	0	0	0	0	114.8	D133 W526	D133-G138 WeakPolarHBondContact OD2-CA 3.34Å; D133-G138 PolarHBondContact OD2-N 3.17Å; G138-W526 PolarHBondContact O-N 2.77Å
139	N	98.3	Very high	98.5	Very high	19 Å²	19	31.8 Å²	31.8	10%	0.102	16%	0.158	C	C	.	.	S	Bend	trans	-107.9	141.3	171.9	-56.6	-72.4	0	0	0	110.1	R129 D133 D137 W526	R129-N139 HydrophobicContact CG-CB 4.25Å; R129-N139 PolarHBondContact NE-OD1 2.96Å; R129-N139 PolarHBondContact NH2-OD1 2.97Å; R129-N139 VanDerWaalsContact NH2-OD1 3.11Å; D133-N139 WeakPolarHBondContact CA-O 3.42Å; D133-N139 WeakPolarHBondContact CB-O 3.39Å; D133-N139 VanDerWaalsContact CG-O 3.27Å; D137-N139 WeakPolarHBondContact OD1-CA 3.35Å; D137-N139 WeakPolarHBondContact OD1-CB 3.49Å; D137-N139 PolarHBondContact OD1-N 3.15Å; D137-N139 PolarHBondContact OD2-ND2 3.46Å; N139-W526 WeakPolarHBondContact OD1-CB 3.44Å
140	G	98.6	Very high	98.6	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.182	C	C	.	.			trans	-71.5	142.6	169.6	0	0	0	0	0	111	P128 R129 K132 F187	P128-G140 CarbonylContact O-C 3.55Å; P128-G140 WeakPolarHBondContact O-CA 3.22Å; R129-G140 WeakPolarHBondContact O-CA 3.38Å; R129-G140 PolarHBondContact O-N 3.37Å; K132-G140 CarbonylContact O-C 3.53Å; K132-G140 WeakPolarHBondContact O-CA 3.48Å; G140-F187 WeakPolarHBondContact O-CD1 3.44Å
141	D	98.8	Very high	98.5	Very high	5 Å²	5	37.8 Å²	37.8	3%	0.027	19%	0.188	C	C	.	.			trans	-130.6	165.3	-175	57.8	29.6	0	0	0	112.2	K132 S134 N135 K143 G144 I145	K132-D141 PolarHBondContact O-N 2.93Å; S134-D141 WeakPolarHBondContact CB-OD1 3.47Å; S134-D141 PolarHBondContact N-OD1 2.62Å; S134-D141 PolarHBondContact N-OD2 3.3Å; S134-D141 PolarHBondContact OG-OD1 3.43Å; S134-D141 PolarHBondContact OG-OD2 3.28Å; N135-D141 PolarHBondContact ND2-OD2 3.35Å; D141-K143 PolarHBondContact O-N 3.25Å; D141-G144 PolarHBondContact O-N 2.95Å; D141-G144 WeakPolarHBondContact OD1-CA 3.44Å; D141-G144 PolarHBondContact OD1-N 3.48Å; D141-I145 PolarHBondContact O-N 3.44Å
142	L	98.8	Very high	98.5	Very high	0 Å²	0	37.8 Å²	37.8	0%	0	19%	0.188	C	C	.	.	H	α-helix	trans	-63.1	-32.3	-177.5	-63.5	-177.7	0	0	0	111.8	I145 Q146 V183 F187 D192 F193 L196	L142-I145 HydrophobicContact CD2-CD1 4.19Å; L142-I145 WeakPolarHBondContact O-CB 3.11Å; L142-I145 PolarHBondContact O-N 2.99Å; L142-Q146 PolarHBondContact O-N 3.45Å; L142-Q146 VanDerWaalsContact O-N 3.08Å; L142-V183 HydrophobicContact CD1-CG1 4.02Å; L142-F187 HydrophobicContact CG-CB 4.2Å; L142-F187 WeakPolarHBondContact CG-O 3.47Å; L142-F187 PolarHBondContact N-O 3.34Å; L142-D192 HydrophobicContact CB-CB 4.43Å; L142-F193 HydrophobicContact CD1-CB 3.82Å; L142-F193 HydrophobicContact CD1-CD2 4.22Å; L142-L196 HydrophobicContact CB-CD2 4.17Å; L142-L196 HydrophobicContact CD2-CD2 4.06Å
143	K	98.8	Very high	98.5	Very high	71 Å²	71	38.3 Å²	38.3	31%	0.309	20%	0.195	S	C	.	.	H	α-helix	trans	-65.6	-41.1	176.5	-179.8	56.1	-177.2	142.5	0	111.7	D141 I145 Q146 D147	D141-K143 PolarHBondContact O-N 3.25Å; K143-I145 VanDerWaalsContact C-N 3.3Å; K143-I145 PolarHBondContact O-N 2.76Å; K143-Q146 VanDerWaalsContact CD-OE1 3.29Å; K143-Q146 VanDerWaalsContact O-CB 3.28Å; K143-Q146 WeakPolarHBondContact O-CB 3.37Å; K143-Q146 PolarHBondContact O-N 3.31Å; K143-Q146 VanDerWaalsContact O-N 3.11Å; K143-D147 WeakPolarHBondContact CE-OD1 3.36Å; K143-D147 IonicContact NZ-OD1 2.65Å; K143-D147 PolarHBondContact NZ-OD1 3.01Å; K143-D147 PolarHBondContact O-N 2.88Å
144	G	98.8	Very high	98.4	Very high	0 Å²	0	40.9 Å²	40.9	0%	0	22%	0.216	C	C	.	.	H	α-helix	trans	-62.6	-34.4	174	0	0	0	0	0	113.1	K132 D141 D147 K148	K132-G144 WeakPolarHBondContact CB-O 3.41Å; D141-G144 PolarHBondContact O-N 2.95Å; D141-G144 WeakPolarHBondContact OD1-CA 3.44Å; D141-G144 PolarHBondContact OD1-N 3.48Å; G144-D147 PolarHBondContact O-N 2.85Å; G144-K148 WeakPolarHBondContact O-CG 3.48Å; G144-K148 PolarHBondContact O-N 2.9Å
145	I	98.9	Very high	98.4	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	21%	0.214	C	C	.	.	H	α-helix	trans	-64.2	-46	171.2	-58.7	172.8	0	0	0	110.2	I126 P128 F131 D141 L142 K143 D147 K148 L149 I162 L196	I126-I145 HydrophobicContact CD1-CG2 4.15Å; I126-I145 HydrophobicContact CG2-CD1 4.1Å; I126-I145 HydrophobicContact CG2-CG1 4.46Å; P128-I145 HydrophobicContact CB-CD1 4.06Å; F131-I145 HydrophobicContact CB-CG1 4.37Å; F131-I145 HydrophobicContact CD1-CB 4.32Å; F131-I145 HydrophobicContact CD1-CG1 3.83Å; F131-I145 HydrophobicContact CD1-CG2 4.47Å; F131-I145 HydrophobicContact CG-CG1 4.48Å; D141-I145 PolarHBondContact O-N 3.44Å; L142-I145 HydrophobicContact CD2-CD1 4.19Å; L142-I145 WeakPolarHBondContact O-CB 3.11Å; L142-I145 PolarHBondContact O-N 2.99Å; K143-I145 VanDerWaalsContact C-N 3.3Å; K143-I145 PolarHBondContact O-N 2.76Å; I145-D147 VanDerWaalsContact C-N 3.27Å; I145-D147 PolarHBondContact O-N 3.09Å; I145-K148 PolarHBondContact O-N 2.95Å; I145-L149 PolarHBondContact O-N 3.44Å; I145-I162 HydrophobicContact CD1-CD1 4.03Å; I145-I162 HydrophobicContact CD1-CG2 4.47Å; I145-L196 HydrophobicContact CB-CD1 4.35Å; I145-L196 HydrophobicContact CB-CD2 4.47Å; I145-L196 HydrophobicContact CG2-CD1 4.06Å; I145-L196 HydrophobicContact CG2-CD2 4.43Å
146	Q	98.9	Very high	98.4	Very high	49 Å²	49	43.6 Å²	43.6	23%	0.229	23%	0.227	C	C	.	.	H	α-helix	trans	-55.9	-43.2	178.1	-167.1	-169.7	5.8	0	0	111.6	L142 K143 K148 L149 L196 A199	L142-Q146 PolarHBondContact O-N 3.45Å; L142-Q146 VanDerWaalsContact O-N 3.08Å; K143-Q146 VanDerWaalsContact CD-OE1 3.29Å; K143-Q146 VanDerWaalsContact O-CB 3.28Å; K143-Q146 WeakPolarHBondContact O-CB 3.37Å; K143-Q146 PolarHBondContact O-N 3.31Å; K143-Q146 VanDerWaalsContact O-N 3.11Å; Q146-K148 PolarHBondContact O-N 3.18Å; Q146-L149 HydrophobicContact CG-CD1 4.28Å; Q146-L149 WeakPolarHBondContact O-CG 3.46Å; Q146-L149 PolarHBondContact O-N 3.4Å; Q146-L196 HydrophobicContact CB-CD1 3.9Å; Q146-L196 HydrophobicContact CG-CD1 4.41Å; Q146-A199 HydrophobicContact CG-CB 3.81Å
147	D	98.7	Very high	98.4	Very high	92 Å²	92	38.5 Å²	38.5	49%	0.492	21%	0.205	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.5	-11.9	-178.9	-64.5	-14.2	0	0	0	113.3	K143 G144 I145	K143-D147 WeakPolarHBondContact CE-OD1 3.36Å; K143-D147 IonicContact NZ-OD1 2.65Å; K143-D147 PolarHBondContact NZ-OD1 3.01Å; K143-D147 PolarHBondContact O-N 2.88Å; G144-D147 PolarHBondContact O-N 2.85Å; I145-D147 VanDerWaalsContact C-N 3.27Å; I145-D147 PolarHBondContact O-N 3.09Å
148	K	98.7	Very high	98.5	Very high	57 Å²	57	37.5 Å²	37.5	25%	0.248	20%	0.197	C	C	.	.	T	Hydrogen-bonded Turn	trans	-111.4	10.2	179.4	-66	-61.4	-173.4	-178.8	0	113.6	F131 K132 G144 I145 Q146 D150 Y151 I152 W511	F131-K148 HydrophobicContact CE1-CB 3.76Å; F131-K148 HydrophobicContact CE1-CG 4.4Å; F131-K148 HydrophobicContact CZ-CB 4.42Å; K132-K148 HydrophobicContact CB-CG 4.3Å; K132-K148 HydrophobicContact CG-CG 4.25Å; G144-K148 WeakPolarHBondContact O-CG 3.48Å; G144-K148 PolarHBondContact O-N 2.9Å; I145-K148 PolarHBondContact O-N 2.95Å; Q146-K148 PolarHBondContact O-N 3.18Å; K148-D150 VanDerWaalsContact C-N 3.26Å; K148-D150 PolarHBondContact O-N 3.12Å; K148-Y151 WeakPolarHBondContact O-CB 3.36Å; K148-Y151 PolarHBondContact O-N 2.98Å; K148-I152 PolarHBondContact O-N 3.48Å; K148-W511 HydrophobicContact CB-CH2 3.98Å; K148-W511 HydrophobicContact CB-CZ2 4.31Å; K148-W511 HydrophobicContact CD-CD2 4.43Å; K148-W511 HydrophobicContact CD-CE3 4.19Å; K148-W511 HydrophobicContact CD-CH2 3.83Å; K148-W511 HydrophobicContact CD-CZ2 4.07Å; K148-W511 HydrophobicContact CD-CZ3 3.89Å; K148-W511 HydrophobicContact CG-CH2 3.78Å; K148-W511 HydrophobicContact CG-CZ2 3.77Å; K148-W511 HydrophobicContact CG-CZ3 4.36Å
149	L	98.8	Very high	98.5	Very high	1 Å²	1	37.4 Å²	37.4	1%	0.005	20%	0.197	C	C	.	.	H	α-helix	trans	-61.8	-32.2	177.7	-67.6	176.3	0	0	0	113.1	I145 Q146 Y151 I152 T153 L196 A199 I200 K203 L205	I145-L149 PolarHBondContact O-N 3.44Å; Q146-L149 HydrophobicContact CG-CD1 4.28Å; Q146-L149 WeakPolarHBondContact O-CG 3.46Å; Q146-L149 PolarHBondContact O-N 3.4Å; L149-Y151 VanDerWaalsContact C-N 3.35Å; L149-Y151 PolarHBondContact O-N 3.02Å; L149-I152 HydrophobicContact CD2-CD1 4.25Å; L149-I152 PolarHBondContact O-N 2.9Å; L149-T153 WeakPolarHBondContact O-CG2 3.07Å; L149-T153 PolarHBondContact O-N 3.44Å; L149-L196 HydrophobicContact CD1-CD1 4.43Å; L149-A199 HydrophobicContact CD1-CB 3.72Å; L149-I200 HydrophobicContact CD1-CG1 4.02Å; L149-I200 HydrophobicContact CD2-CD1 4.45Å; L149-I200 HydrophobicContact CD2-CG1 3.69Å; L149-K203 HydrophobicContact CB-CD 3.7Å; L149-K203 HydrophobicContact CD1-CD 4.38Å; L149-L205 HydrophobicContact CD2-CD1 4.26Å
150	D	98.4	Very high	98.6	Very high	96 Å²	96	36.5 Å²	36.5	51%	0.513	19%	0.192	S	C	.	.	H	α-helix	trans	-63.1	-41.7	176.6	-74.1	-39.9	0	0	0	112	K148 I152 T153 A154 K203	K148-D150 VanDerWaalsContact C-N 3.26Å; K148-D150 PolarHBondContact O-N 3.12Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.29Å; D150-T153 WeakPolarHBondContact CA-OG1 3.38Å; D150-T153 PolarHBondContact O-N 3.01Å; D150-T153 PolarHBondContact O-OG1 3.15Å; D150-A154 PolarHBondContact O-N 3.36Å; D150-K203 WeakPolarHBondContact OD1-CE 3.42Å; D150-K203 IonicContact OD1-NZ 3.55Å; D150-K203 PolarHBondContact OD1-NZ 3.11Å; D150-K203 IonicContact OD2-NZ 2.77Å
151	Y	98.4	Very high	98.6	Very high	36 Å²	36	36.5 Å²	36.5	14%	0.141	19%	0.192	C	C	.	.	H	α-helix	trans	-58.8	-45.1	172.8	165.1	-100.8	0	0	0	111.5	K148 L149 T153 A154 L155 E483 W511 V538	K148-Y151 WeakPolarHBondContact O-CB 3.36Å; K148-Y151 PolarHBondContact O-N 2.98Å; L149-Y151 VanDerWaalsContact C-N 3.35Å; L149-Y151 PolarHBondContact O-N 3.02Å; Y151-T153 VanDerWaalsContact C-N 3.32Å; Y151-T153 PolarHBondContact O-N 3.07Å; Y151-A154 WeakPolarHBondContact O-CB 3.38Å; Y151-A154 PolarHBondContact O-N 3.33Å; Y151-A154 VanDerWaalsContact O-N 3.14Å; Y151-L155 HydrophobicContact CD1-CD1 4.33Å; Y151-L155 HydrophobicContact CE1-CD1 3.65Å; Y151-L155 HydrophobicContact CE1-CG 4.41Å; Y151-L155 HydrophobicContact CE2-CD1 4.3Å; Y151-L155 HydrophobicContact CE2-CD2 4.33Å; Y151-L155 HydrophobicContact CE2-CG 4.31Å; Y151-L155 PolarHBondContact O-N 3.31Å; Y151-E483 VanDerWaalsContact OH-CD 3.27Å; Y151-E483 VanDerWaalsContact OH-CG 3.25Å; Y151-E483 WeakPolarHBondContact OH-CG 3.3Å; Y151-E483 PolarHBondContact OH-OE1 3.46Å; Y151-W511 AromaticContact CD1-CH2 3.65Å; Y151-W511 HydrophobicContact CD1-CH2 3.65Å; Y151-W511 AromaticContact CD1-CZ3 3.58Å; Y151-W511 HydrophobicContact CD1-CZ3 3.58Å; Y151-W511 HydrophobicContact CD2-CZ3 4.12Å; Y151-W511 AromaticContact CE1-CH2 3.87Å; Y151-W511 HydrophobicContact CE1-CH2 3.87Å; Y151-W511 AromaticContact CE1-CZ3 3.8Å; Y151-W511 HydrophobicContact CE1-CZ3 3.8Å; Y151-W511 HydrophobicContact CE2-CZ3 4.33Å; Y151-W511 HydrophobicContact CG-CH2 4.22Å; Y151-W511 AromaticContact CG-CZ3 3.73Å; Y151-W511 HydrophobicContact CG-CZ3 3.73Å; Y151-V538 HydrophobicContact CD2-CG1 4.05Å; Y151-V538 HydrophobicContact CE2-CG1 3.68Å; Y151-V538 HydrophobicContact CE2-CG2 3.95Å
152	I	98.6	Very high	98.6	Very high	0 Å²	0	36.3 Å²	36.3	0%	0	19%	0.191	C	C	.	.	H	α-helix	trans	-61.7	-40.7	178.3	-65.5	173.1	0	0	0	111	I126 F131 K148 L149 D150 L155 I157 V160 L205	I126-I152 HydrophobicContact CD1-CD1 3.85Å; F131-I152 HydrophobicContact CE1-CD1 4.29Å; F131-I152 HydrophobicContact CZ-CD1 4.17Å; F131-I152 HydrophobicContact CZ-CG1 4.41Å; K148-I152 PolarHBondContact O-N 3.48Å; L149-I152 HydrophobicContact CD2-CD1 4.25Å; L149-I152 PolarHBondContact O-N 2.9Å; D150-I152 VanDerWaalsContact C-N 3.32Å; D150-I152 PolarHBondContact O-N 3.29Å; I152-L155 WeakPolarHBondContact O-CB 3.44Å; I152-L155 PolarHBondContact O-N 2.78Å; I152-I157 HydrophobicContact CG2-CB 3.64Å; I152-I157 HydrophobicContact CG2-CG1 4.11Å; I152-I157 HydrophobicContact CG2-CG2 3.79Å; I152-I157 PolarHBondContact O-N 2.8Å; I152-V160 HydrophobicContact CD1-CG2 4.27Å; I152-V160 HydrophobicContact CG2-CG2 4Å; I152-L205 HydrophobicContact CG2-CD1 4.2Å
153	T	98.1	Very high	98.6	Very high	47 Å²	47	36.4 Å²	36.4	29%	0.288	19%	0.191	S	C	.	.	H	α-helix	trans	-67	-35	175.5	59.8	0	0	0	0	113	L149 D150 Y151 L155 N156 K203 L205	L149-T153 WeakPolarHBondContact O-CG2 3.07Å; L149-T153 PolarHBondContact O-N 3.44Å; D150-T153 WeakPolarHBondContact CA-OG1 3.38Å; D150-T153 PolarHBondContact O-N 3.01Å; D150-T153 PolarHBondContact O-OG1 3.15Å; Y151-T153 VanDerWaalsContact C-N 3.32Å; Y151-T153 PolarHBondContact O-N 3.07Å; T153-L155 PolarHBondContact O-N 2.73Å; T153-N156 PolarHBondContact O-N 2.55Å; T153-K203 HydrophobicContact CG2-CB 4.14Å; T153-K203 HydrophobicContact CG2-CD 4.16Å; T153-L205 HydrophobicContact CG2-CD1 3.96Å; T153-L205 HydrophobicContact CG2-CD2 4.23Å; T153-L205 HydrophobicContact CG2-CG 4.2Å
154	A	97.4	Very high	98.5	Very high	58 Å²	58	33.1 Å²	33.1	48%	0.479	18%	0.178	S	C	.	.	H	α-helix	trans	-66.2	-24.7	176.6	0	0	0	0	0	112.8	D150 Y151 N156	D150-A154 PolarHBondContact O-N 3.36Å; Y151-A154 WeakPolarHBondContact O-CB 3.38Å; Y151-A154 PolarHBondContact O-N 3.33Å; Y151-A154 VanDerWaalsContact O-N 3.14Å; A154-N156 PolarHBondContact O-N 2.78Å
155	L	97.6	Very high	98.5	Very high	55 Å²	55	33.2 Å²	33.2	29%	0.288	18%	0.178	S	C	.	.	T	Hydrogen-bonded Turn	trans	-78.6	0.1	171.1	-64.5	179.7	0	0	0	113.7	Y124 Y151 I152 T153 I157 E483	Y124-L155 HydrophobicContact CE2-CD1 4.27Å; Y151-L155 HydrophobicContact CD1-CD1 4.33Å; Y151-L155 HydrophobicContact CE1-CD1 3.65Å; Y151-L155 HydrophobicContact CE1-CG 4.41Å; Y151-L155 HydrophobicContact CE2-CD1 4.3Å; Y151-L155 HydrophobicContact CE2-CD2 4.33Å; Y151-L155 HydrophobicContact CE2-CG 4.31Å; Y151-L155 PolarHBondContact O-N 3.31Å; I152-L155 WeakPolarHBondContact O-CB 3.44Å; I152-L155 PolarHBondContact O-N 2.78Å; T153-L155 PolarHBondContact O-N 2.73Å; L155-I157 HydrophobicContact CB-CD1 4.48Å; L155-I157 HydrophobicContact CB-CG1 3.87Å; L155-I157 PolarHBondContact O-N 3.41Å; L155-E483 HydrophobicContact CD1-CG 4.11Å; L155-E483 HydrophobicContact CD2-CG 4.17Å
156	N	98.4	Very high	98.4	Very high	134 Å²	134	33.2 Å²	33.2	72%	0.717	18%	0.178	S	C	*	.	T	Hydrogen-bonded Turn	trans	58.6	31.3	-174.1	-55.3	111.1	0	0	0	113.9	P122 T153 A154	P122-N156 WeakPolarHBondContact CG-O 3.39Å; T153-N156 PolarHBondContact O-N 2.55Å; A154-N156 PolarHBondContact O-N 2.78Å
157	I	98.8	Very high	98.4	Very high	13 Å²	13	34.7 Å²	34.7	7%	0.067	18%	0.184	C	C	.	.			trans	-68.5	139.2	173.5	-63	-56	0	0	0	110.7	P122 Y124 I152 L155 T159 L205	P122-I157 HydrophobicContact CB-CD1 3.88Å; P122-I157 HydrophobicContact CG-CD1 3.82Å; Y124-I157 HydrophobicContact CD2-CD1 4.11Å; Y124-I157 HydrophobicContact CD2-CG1 4.33Å; Y124-I157 HydrophobicContact CG-CD1 4.35Å; Y124-I157 HydrophobicContact CG-CG1 4.26Å; I152-I157 HydrophobicContact CG2-CB 3.64Å; I152-I157 HydrophobicContact CG2-CG1 4.11Å; I152-I157 HydrophobicContact CG2-CG2 3.79Å; I152-I157 PolarHBondContact O-N 2.8Å; L155-I157 HydrophobicContact CB-CD1 4.48Å; L155-I157 HydrophobicContact CB-CG1 3.87Å; L155-I157 PolarHBondContact O-N 3.41Å; I157-T159 VanDerWaalsContact CG2-O 3.26Å; I157-T159 WeakPolarHBondContact CG2-O 3.47Å; I157-L205 WeakPolarHBondContact O-CD2 3.29Å
158	K	98.8	Very high	98.2	Very high	53 Å²	53	30.6 Å²	30.6	23%	0.23	16%	0.162	C	C	.	.			trans	-97.9	-41.3	173.2	-176.8	55.8	175.6	175.3	0	112.1	P122 G204 L205 K206	P122-K158 PolarHBondContact O-N 3.37Å; K158-G204 PolarHBondContact NZ-O 2.84Å; K158-L205 WeakPolarHBondContact O-CA 3.28Å; K158-K206 PolarHBondContact O-N 2.78Å
159	T	98.9	Very high	97.7	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-125.5	128.8	-172.5	-49.8	0	0	0	0	110.6	W117 P122 M123 Y124 I157 K206 I208	W117-T159 HydrophobicContact CZ3-CG2 3.87Å; W117-T159 WeakPolarHBondContact CZ3-OG1 3.36Å; P122-T159 PolarHBondContact O-N 2.86Å; P122-T159 VanDerWaalsContact O-N 3.14Å; M123-T159 CarbonylContact C-O 3.58Å; M123-T159 VanDerWaalsContact CA-O 3.29Å; M123-T159 WeakPolarHBondContact CA-O 3.48Å; M123-T159 HydrophobicContact CG-CG2 4.3Å; Y124-T159 PolarHBondContact N-O 3Å; I157-T159 VanDerWaalsContact CG2-O 3.26Å; I157-T159 WeakPolarHBondContact CG2-O 3.47Å; T159-K206 CarbonylContact C-O 3.42Å; T159-K206 WeakPolarHBondContact CA-O 3.18Å; T159-K206 HydrophobicContact CG2-CB 4.23Å; T159-I208 HydrophobicContact CG2-CD1 4.49Å; T159-I208 HydrophobicContact CG2-CG1 4.19Å; T159-I208 HydrophobicContact CG2-CG2 3.95Å
160	V	98.9	Very high	96.8	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-94	126.8	168	-178	0	0	0	0	107.9	I126 I152 I162 L205 K206 L207 I208	I126-V160 HydrophobicContact CD1-CG1 3.68Å; I126-V160 HydrophobicContact CG1-CG1 4.3Å; I152-V160 HydrophobicContact CD1-CG2 4.27Å; I152-V160 HydrophobicContact CG2-CG2 4Å; V160-I162 HydrophobicContact CG1-CD1 4.42Å; V160-I162 HydrophobicContact CG1-CG1 3.85Å; V160-L205 HydrophobicContact CG2-CD1 4.47Å; V160-K206 PolarHBondContact N-O 3.47Å; V160-L207 HydrophobicContact CB-CD1 4.47Å; V160-L207 HydrophobicContact CG1-CD1 4.46Å; V160-L207 WeakPolarHBondContact O-CA 3.46Å; V160-I208 PolarHBondContact O-N 3.49Å
161	W	98.9	Very high	96	Very high	0 Å²	0	27.9 Å²	27.9	0%	0	15%	0.152	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	111.2	171.8	175.4	8.4	0	0	0	108.4	Y124 Q125 I126 I208 D210 S312 F409 M444 I477	Y124-W161 PolarHBondContact O-N 3.09Å; Q125-W161 CarbonylContact C-O 3.56Å; Q125-W161 WeakPolarHBondContact CA-O 3.3Å; Q125-W161 HydrophobicContact CB-CB 4.44Å; Q125-W161 HydrophobicContact CB-CD2 4.29Å; Q125-W161 HydrophobicContact CB-CE3 4Å; Q125-W161 HydrophobicContact CG-CD2 3.8Å; Q125-W161 HydrophobicContact CG-CE3 3.84Å; Q125-W161 HydrophobicContact CG-CG 4.12Å; Q125-W161 HydrophobicContact CG-CZ3 4.34Å; Q125-W161 VanDerWaalsContact NE2-CH2 3.25Å; Q125-W161 VanDerWaalsContact NE2-CZ2 3.27Å; I126-W161 PolarHBondContact N-O 3.01Å; W161-I208 WeakPolarHBondContact CA-O 3.46Å; W161-I208 HydrophobicContact CB-CD1 3.83Å; W161-I208 HydrophobicContact CB-CG1 3.53Å; W161-I208 HydrophobicContact CD2-CD1 4.15Å; W161-I208 HydrophobicContact CG-CD1 3.8Å; W161-I208 HydrophobicContact CG-CG1 3.71Å; W161-D210 PolarHBondContact NE1-OD1 2.91Å; W161-S312 WeakPolarHBondContact CZ2-OG 3.31Å; W161-F409 AromaticContact CE3-CE1 4Å; W161-F409 HydrophobicContact CE3-CE1 4Å; W161-F409 HydrophobicContact CE3-CZ 4.34Å; W161-F409 HydrophobicContact CH2-CD1 4.01Å; W161-F409 HydrophobicContact CH2-CD2 4.39Å; W161-F409 AromaticContact CH2-CE1 3.8Å; W161-F409 HydrophobicContact CH2-CE1 3.8Å; W161-F409 HydrophobicContact CH2-CE2 4.21Å; W161-F409 HydrophobicContact CH2-CG 4.3Å; W161-F409 AromaticContact CH2-CZ 3.9Å; W161-F409 HydrophobicContact CH2-CZ 3.9Å; W161-F409 HydrophobicContact CZ2-CZ 4.37Å; W161-F409 AromaticContact CZ3-CD1 3.77Å; W161-F409 HydrophobicContact CZ3-CD1 3.77Å; W161-F409 AromaticContact CZ3-CE1 3.41Å; W161-F409 HydrophobicContact CZ3-CE1 3.41Å; W161-F409 VanDerWaalsContact CZ3-CE1 3.41Å; W161-F409 AromaticContact CZ3-CZ 3.89Å; W161-F409 HydrophobicContact CZ3-CZ 3.89Å; W161-M444 HydrophobicContact CZ3-SD 4.28Å; W161-I477 HydrophobicContact CE3-CG2 4.25Å; W161-I477 HydrophobicContact CZ3-CG2 4.27Å
162	I	98.9	Very high	95.2	Very high	0 Å²	0	26.6 Å²	26.6	0%	0	15%	0.148	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-98.2	124.7	176.3	-53.5	-179.4	0	0	0	108.7	P128 I145 V160 F165 L196 L207 I208 I209 D210	P128-I162 HydrophobicContact CB-CG2 4.09Å; P128-I162 HydrophobicContact CG-CG2 4.07Å; I145-I162 HydrophobicContact CD1-CD1 4.03Å; I145-I162 HydrophobicContact CD1-CG2 4.47Å; V160-I162 HydrophobicContact CG1-CD1 4.42Å; V160-I162 HydrophobicContact CG1-CG1 3.85Å; I162-F165 HydrophobicContact CG2-CD1 3.86Å; I162-F165 HydrophobicContact CG2-CE1 4.36Å; I162-L196 HydrophobicContact CD1-CD2 3.78Å; I162-L207 HydrophobicContact CB-CD1 4.41Å; I162-L207 HydrophobicContact CD1-CD1 3.61Å; I162-L207 HydrophobicContact CG1-CD1 3.67Å; I162-I208 PolarHBondContact N-O 3.02Å; I162-I209 WeakPolarHBondContact O-CA 3.31Å; I162-D210 PolarHBondContact O-N 3.2Å
163	T	98.3	Very high	94.1	Very high	2 Å²	2	27.6 Å²	27.6	1%	0.012	15%	0.152	C	C	.	.			trans	-67	170.8	174.4	67.1	0	0	0	0	111.2	Q125 I126 Y127 P128 F165 D210	Q125-T163 HydrophobicContact CG-CG2 4.15Å; I126-T163 PolarHBondContact O-N 2.95Å; I126-T163 VanDerWaalsContact O-N 3.08Å; Y127-T163 WeakPolarHBondContact CD2-OG1 3.45Å; P128-T163 WeakPolarHBondContact CD-OG1 3.47Å; T163-F165 PolarHBondContact O-N 3.36Å; T163-D210 WeakPolarHBondContact CA-OD2 3.46Å; T163-D210 VanDerWaalsContact CB-OD2 3.26Å; T163-D210 WeakPolarHBondContact CB-OD2 3.24Å
164	S	97.6	Very high	93.3	Very high	3 Å²	3	28.3 Å²	28.3	2%	0.021	15%	0.149	C	C	.	.			trans	-43.4	127.4	-176.8	-177.3	0	0	0	0	114.8	Y166 Y175 D210	S164-Y166 WeakPolarHBondContact OG-CD2 3.48Å; S164-Y175 VanDerWaalsContact CB-CE2 3.48Å; S164-D210 PolarHBondContact N-OD2 3.1Å
165	F	98.2	Very high	92.6	Very high	1 Å²	1	27 Å²	27	0%	0.004	13%	0.132	C	C	.	.			trans	-128.4	10.4	174	57.1	-96.4	0	0	0	112.4	I162 T163 V183 D184 F187 F193 I209 W303	I162-F165 HydrophobicContact CG2-CD1 3.86Å; I162-F165 HydrophobicContact CG2-CE1 4.36Å; T163-F165 PolarHBondContact O-N 3.36Å; F165-V183 HydrophobicContact CD2-CG1 4.26Å; F165-V183 HydrophobicContact CD2-CG2 4.11Å; F165-V183 HydrophobicContact CE2-CG2 4.17Å; F165-D184 PolarHBondContact O-N 2.59Å; F165-F187 HydrophobicContact CB-CD2 3.61Å; F165-F187 HydrophobicContact CB-CE2 3.98Å; F165-F187 HydrophobicContact CB-CG 4.24Å; F165-F193 HydrophobicContact CE1-CE2 4.28Å; F165-F193 AromaticContact CE2-CD2 3.92Å; F165-F193 HydrophobicContact CE2-CD2 3.92Å; F165-F193 HydrophobicContact CE2-CE2 4.03Å; F165-F193 AromaticContact CZ-CD2 3.82Å; F165-F193 HydrophobicContact CZ-CD2 3.82Å; F165-F193 AromaticContact CZ-CE2 3.49Å; F165-F193 HydrophobicContact CZ-CE2 3.49Å; F165-F193 VanDerWaalsContact CZ-CE2 3.49Å; F165-F193 HydrophobicContact CZ-CZ 4.34Å; F165-I209 HydrophobicContact CE1-CB 4Å; F165-I209 HydrophobicContact CE1-CD1 4.42Å; F165-I209 HydrophobicContact CE1-CG2 3.69Å; F165-I209 HydrophobicContact CZ-CB 4.46Å; F165-I209 HydrophobicContact CZ-CD1 4.04Å; F165-I209 HydrophobicContact CZ-CG2 4.08Å; F165-W303 AromaticContact CE2-CH2 3.78Å; F165-W303 HydrophobicContact CE2-CH2 3.78Å; F165-W303 HydrophobicContact CE2-CZ3 4.02Å; F165-W303 HydrophobicContact CZ-CH2 4.35Å; F165-W303 HydrophobicContact CZ-CZ3 4.23Å
166	Y	98.2	Very high	92.4	Very high	1 Å²	1	24.4 Å²	24.4	0%	0.004	12%	0.119	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63.1	151.7	178.2	-54.5	-75	0	0	0	110.9	S164 S168 V177 E182 I209 D210 I212 W303	S164-Y166 WeakPolarHBondContact OG-CD2 3.48Å; Y166-S168 WeakPolarHBondContact O-CB 3.36Å; Y166-S168 PolarHBondContact O-N 3.25Å; Y166-S168 PolarHBondContact O-OG 3.35Å; Y166-V177 HydrophobicContact CD2-CG2 4.3Å; Y166-V177 HydrophobicContact CG-CG1 4.32Å; Y166-E182 WeakPolarHBondContact CA-O 3.1Å; Y166-I209 WeakPolarHBondContact OH-CD1 3.49Å; Y166-D210 VanDerWaalsContact CE2-O 3.3Å; Y166-D210 WeakPolarHBondContact CE2-O 3.41Å; Y166-D210 PolarHBondContact OH-O 3.22Å; Y166-I212 HydrophobicContact CD2-CD1 3.82Å; Y166-I212 HydrophobicContact CE2-CD1 3.65Å; Y166-W303 AromaticContact CD1-CZ2 3.87Å; Y166-W303 HydrophobicContact CD1-CZ2 3.87Å; Y166-W303 AromaticContact CE1-CE2 3.6Å; Y166-W303 HydrophobicContact CE1-CH2 4.5Å; Y166-W303 AromaticContact CE1-CZ2 3.56Å; Y166-W303 HydrophobicContact CE1-CZ2 3.56Å; Y166-W303 AromaticContact CE1-NE1 3.51Å
167	K	97.8	Very high	92.4	Very high	80 Å²	80	18 Å²	18	35%	0.348	9%	0.085	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-54.4	115.1	171.6	-175.4	-174.8	174.6	-171.9	0	110.4	E178 D179 E182	K167-E178 WeakPolarHBondContact CE-OE2 3.16Å; K167-E178 HydrophobicContact CG-CB 4.39Å; K167-E178 IonicContact NZ-OE2 3.96Å; K167-E178 PolarHBondContact O-N 3.39Å; K167-D179 HydrophobicContact CB-CB 4.37Å; K167-D179 HydrophobicContact CD-CB 4.3Å; K167-D179 PolarHBondContact O-N 3.3Å; K167-E182 HydrophobicContact CB-CB 4.27Å; K167-E182 PolarHBondContact N-O 3.47Å
168	S	94.9	Very high	92.3	Very high	6 Å²	6	19.6 Å²	19.6	4%	0.042	9%	0.092	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.3	136.3	-167.6	-60.9	0	0	0	0	112.9	Y166 K171 G176 D184	Y166-S168 WeakPolarHBondContact O-CB 3.36Å; Y166-S168 PolarHBondContact O-N 3.25Å; Y166-S168 PolarHBondContact O-OG 3.35Å; S168-K171 PolarHBondContact O-NZ 3.5Å; S168-G176 WeakPolarHBondContact CA-O 3.38Å; S168-D184 PolarHBondContact N-OD2 2.95Å
169	S	86.9	Confident	92.3	Very high	43 Å²	43	19.9 Å²	19.9	30%	0.301	10%	0.095	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-79.7	-34.5	173.2	-111.9	0	0	0	0	112.5	G176 E178 K219	S169-G176 PolarHBondContact N-O 2.9Å; S169-E178 VanDerWaalsContact CB-OE1 3.25Å; S169-E178 WeakPolarHBondContact CB-OE1 3.29Å; S169-E178 PolarHBondContact OG-OE1 2.91Å; S169-K219 VanDerWaalsContact OG-CD 3.27Å; S169-K219 WeakPolarHBondContact OG-CD 3.49Å; S169-K219 VanDerWaalsContact OG-CE 3.31Å; S169-K219 WeakPolarHBondContact OG-CE 3.41Å; S169-K219 PolarHBondContact OG-NZ 3.17Å
170	L	80.8	Confident	92.3	Very high	17 Å²	17	20 Å²	20	9%	0.089	10%	0.096	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	118.2	175.6	-172.3	64.4	0	0	0	108	F173 Y175 G176 M279 Q282	L170-F173 HydrophobicContact CD1-CD2 4.09Å; L170-F173 HydrophobicContact CD2-CB 4.12Å; L170-F173 HydrophobicContact CD2-CD2 4.09Å; L170-F173 HydrophobicContact CG-CD2 4.27Å; L170-Y175 WeakPolarHBondContact O-CA 3.49Å; L170-G176 PolarHBondContact O-N 3.34Å; L170-M279 HydrophobicContact CD2-CB 4.4Å; L170-M279 HydrophobicContact CD2-CG 4.25Å; L170-Q282 HydrophobicContact CD2-CG 4.42Å
171	K	80.8	Confident	92.2	Very high	36 Å²	36	24.3 Å²	24.3	16%	0.157	11%	0.112	C	C	.	.	S	Bend	trans	-100.9	12.7	-171.1	-67.3	176.5	160.5	64.9	0	113.4	S168 Y175 D184 I186 Y498	S168-K171 PolarHBondContact O-NZ 3.5Å; K171-Y175 VanDerWaalsContact O-CE1 3.24Å; K171-Y175 WeakPolarHBondContact O-CE1 3.46Å; K171-D184 WeakPolarHBondContact CE-OD1 3.3Å; K171-D184 WeakPolarHBondContact CE-OD2 3.4Å; K171-D184 VanDerWaalsContact NZ-CG 3.32Å; K171-D184 IonicContact NZ-OD1 2.78Å; K171-D184 PolarHBondContact NZ-OD1 2.99Å; K171-D184 IonicContact NZ-OD2 3.76Å; K171-D184 PolarHBondContact NZ-OD2 2.76Å; K171-I186 HydrophobicContact CD-CD1 4.05Å; K171-I186 VanDerWaalsContact CE-CD1 3.48Å; K171-Y498 HydrophobicContact CB-CE2 4.32Å; K171-Y498 VanDerWaalsContact CB-OH 3.26Å; K171-Y498 WeakPolarHBondContact CB-OH 3.49Å
172	D	83.2	Confident	92.2	Very high	10 Å²	10	28.8 Å²	28.8	5%	0.053	13%	0.133	C	C	.	.	S	Bend	trans	-143.8	-169.2	173.5	-153.1	-21.9	0	0	0	108.6	R174 Y175 Y498 D499 K506	D172-R174 VanDerWaalsContact C-N 3.32Å; D172-R174 PolarHBondContact O-N 2.92Å; D172-Y175 PolarHBondContact O-N 3.43Å; D172-Y498 HydrophobicContact CB-CD1 3.65Å; D172-Y498 HydrophobicContact CB-CE1 3.9Å; D172-Y498 HydrophobicContact CB-CG 4.18Å; D172-Y498 WeakPolarHBondContact OD2-CD1 3.19Å; D172-D499 PolarHBondContact OD2-N 2.99Å; D172-K506 VanDerWaalsContact CG-NZ 3.33Å; D172-K506 IonicContact OD1-NZ 3.81Å; D172-K506 PolarHBondContact OD1-NZ 3.05Å; D172-K506 VanDerWaalsContact OD1-NZ 3.15Å; D172-K506 IonicContact OD2-NZ 2.59Å; D172-K506 PolarHBondContact OD2-NZ 2.9Å
173	F	75.4	Confident	92.2	Very high	20 Å²	20	29.2 Å²	29.2	9%	0.088	14%	0.136	C	C	.	.	T	Hydrogen-bonded Turn	trans	58.4	39.8	177.6	-53.9	-80.8	0	0	0	113.3	L170 Y175 Y259 M279 Q282 D499	L170-F173 HydrophobicContact CD1-CD2 4.09Å; L170-F173 HydrophobicContact CD2-CB 4.12Å; L170-F173 HydrophobicContact CD2-CD2 4.09Å; L170-F173 HydrophobicContact CG-CD2 4.27Å; F173-Y175 VanDerWaalsContact C-N 3.34Å; F173-Y259 VanDerWaalsContact CA-OH 3.29Å; F173-Y259 WeakPolarHBondContact CA-OH 3.44Å; F173-Y259 HydrophobicContact CB-CE2 3.74Å; F173-Y259 HydrophobicContact CD1-CD1 4.1Å; F173-Y259 HydrophobicContact CD1-CD2 4.29Å; F173-Y259 AromaticContact CD1-CE1 3.71Å; F173-Y259 HydrophobicContact CD1-CE1 3.71Å; F173-Y259 AromaticContact CD1-CE2 3.91Å; F173-Y259 HydrophobicContact CD1-CE2 3.91Å; F173-Y259 HydrophobicContact CD1-CG 4.38Å; F173-Y259 AromaticContact CD1-CZ 3.62Å; F173-Y259 HydrophobicContact CE1-CE1 4.4Å; F173-Y259 HydrophobicContact CG-CE2 4.3Å; F173-M279 HydrophobicContact CB-CE 4.46Å; F173-M279 HydrophobicContact CB-CG 4.26Å; F173-M279 HydrophobicContact CD1-CE 3.39Å; F173-M279 HydrophobicContact CD2-CE 4.34Å; F173-M279 HydrophobicContact CE1-CE 3.51Å; F173-M279 HydrophobicContact CE2-CE 4.44Å; F173-M279 HydrophobicContact CG-CE 3.83Å; F173-M279 HydrophobicContact CG-CG 4.43Å; F173-M279 HydrophobicContact CZ-CE 4.05Å; F173-Q282 PolarHBondContact O-NE2 3.31Å; F173-Q282 PolarHBondContact O-OE1 3.04Å; F173-D499 HydrophobicContact CD1-CB 4.16Å; F173-D499 HydrophobicContact CE1-CB 3.55Å; F173-D499 HydrophobicContact CZ-CB 3.79Å
174	R	81.5	Confident	92.2	Very high	63 Å²	63	29.5 Å²	29.5	24%	0.238	14%	0.137	C	C	.	.	T	Hydrogen-bonded Turn	trans	72.4	16.5	-173.4	-46.2	-74.5	175.5	-150.6	-13	115.5	D172 H215 F278 D314 D449	D172-R174 VanDerWaalsContact C-N 3.32Å; D172-R174 PolarHBondContact O-N 2.92Å; R174-H215 PolarHBondContact O-NE2 3.02Å; R174-F278 HydrophobicContact CB-CE2 4.47Å; R174-F278 HydrophobicContact CB-CZ 4.49Å; R174-F278 HydrophobicContact CG-CD1 3.95Å; R174-F278 HydrophobicContact CG-CE1 3.72Å; R174-F278 HydrophobicContact CG-CE2 4.41Å; R174-F278 HydrophobicContact CG-CG 4.4Å; R174-F278 HydrophobicContact CG-CZ 3.95Å; R174-D314 VanDerWaalsContact CD-OD2 3.26Å; R174-D314 WeakPolarHBondContact CD-OD2 3.42Å; R174-D314 IonicContact NH1-OD1 2.84Å; R174-D449 IonicContact CZ-OD2 2.76Å; R174-D449 IonicContact NH1-OD2 2.8Å; R174-D449 PolarHBondContact NH1-OD2 3.17Å; R174-D449 IonicContact NH2-OD2 3.21Å; R174-D449 PolarHBondContact NH2-OD2 3.07Å
175	Y	82.7	Confident	92.2	Very high	31 Å²	31	34.1 Å²	34.1	12%	0.122	17%	0.167	C	C	.	.			trans	64.4	117.3	171.6	-56.5	-86.5	0	0	0	116.3	Y127 S164 L170 K171 D172 F173 V177 H215	Y127-Y175 WeakPolarHBondContact CE2-OH 3.41Å; S164-Y175 VanDerWaalsContact CB-CE2 3.48Å; L170-Y175 WeakPolarHBondContact O-CA 3.49Å; K171-Y175 VanDerWaalsContact O-CE1 3.24Å; K171-Y175 WeakPolarHBondContact O-CE1 3.46Å; D172-Y175 PolarHBondContact O-N 3.43Å; F173-Y175 VanDerWaalsContact C-N 3.34Å; Y175-V177 PolarHBondContact O-N 3.46Å; Y175-H215 PolarHBondContact O-NE2 2.78Å; Y175-H215 VanDerWaalsContact O-NE2 3.16Å
176	G	92.5	Very high	92.2	Very high	0 Å²	0	35.7 Å²	35.7	0%	0	18%	0.175	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	91.2	168.7	0	0	0	0	0	111.6	S168 S169 L170	S168-G176 WeakPolarHBondContact CA-O 3.38Å; S169-G176 PolarHBondContact N-O 2.9Å; L170-G176 PolarHBondContact O-N 3.34Å
177	V	97.6	Very high	92.2	Very high	0 Å²	0	36.2 Å²	36.2	0%	0	18%	0.178	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.8	126.1	-175.1	-178	0	0	0	0	112.2	Y166 Y175 F180 I212 S217	Y166-V177 HydrophobicContact CD2-CG2 4.3Å; Y166-V177 HydrophobicContact CG-CG1 4.32Å; Y175-V177 PolarHBondContact O-N 3.46Å; V177-F180 HydrophobicContact CB-CD1 4.21Å; V177-F180 HydrophobicContact CB-CE1 3.82Å; V177-F180 HydrophobicContact CB-CZ 4.04Å; V177-F180 HydrophobicContact CG1-CD1 3.66Å; V177-F180 HydrophobicContact CG1-CD2 4.31Å; V177-F180 HydrophobicContact CG1-CE1 3.81Å; V177-F180 HydrophobicContact CG1-CE2 4.45Å; V177-F180 HydrophobicContact CG1-CG 3.93Å; V177-F180 HydrophobicContact CG1-CZ 4.21Å; V177-F180 HydrophobicContact CG2-CD1 4.47Å; V177-F180 HydrophobicContact CG2-CE1 4.02Å; V177-I212 HydrophobicContact CG2-CD1 4.38Å; V177-S217 WeakPolarHBondContact O-CB 3.47Å; V177-S217 PolarHBondContact O-N 3.04Å
178	E	97.9	Very high	92.2	Very high	46 Å²	46	33.5 Å²	33.5	22%	0.215	17%	0.172	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.2	-32.5	176.1	-70.9	-173.2	-162	0	0	113.5	K167 S169 K219 H220	K167-E178 WeakPolarHBondContact CE-OE2 3.16Å; K167-E178 HydrophobicContact CG-CB 4.39Å; K167-E178 IonicContact NZ-OE2 3.96Å; K167-E178 PolarHBondContact O-N 3.39Å; S169-E178 VanDerWaalsContact CB-OE1 3.25Å; S169-E178 WeakPolarHBondContact CB-OE1 3.29Å; S169-E178 PolarHBondContact OG-OE1 2.91Å; E178-K219 HydrophobicContact CG-CB 4.15Å; E178-H220 VanDerWaalsContact C-CD2 3.42Å; E178-H220 PolarHBondContact O-CD2 3.39Å
179	D	98.2	Very high	92.4	Very high	58 Å²	58	36.7 Å²	36.7	31%	0.31	19%	0.191	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-150.4	116.2	177.9	-164.4	-35.5	0	0	0	110.2	K167 R181 E182	K167-D179 HydrophobicContact CB-CB 4.37Å; K167-D179 HydrophobicContact CD-CB 4.3Å; K167-D179 PolarHBondContact O-N 3.3Å; D179-R181 PolarHBondContact O-N 3.03Å; D179-R181 PolarHBondContact OD1-N 2.96Å; D179-E182 HydrophobicContact CB-CB 4.16Å; D179-E182 HydrophobicContact CB-CG 4.33Å
180	F	98.3	Very high	93	Very high	2 Å²	2	36.1 Å²	36.1	1%	0.009	18%	0.184	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-75.7	-8	-177.7	-70.8	-77.8	0	0	0	114.5	V177 I212 T216 H220 W222 I299 W303	V177-F180 HydrophobicContact CB-CD1 4.21Å; V177-F180 HydrophobicContact CB-CE1 3.82Å; V177-F180 HydrophobicContact CB-CZ 4.04Å; V177-F180 HydrophobicContact CG1-CD1 3.66Å; V177-F180 HydrophobicContact CG1-CD2 4.31Å; V177-F180 HydrophobicContact CG1-CE1 3.81Å; V177-F180 HydrophobicContact CG1-CE2 4.45Å; V177-F180 HydrophobicContact CG1-CG 3.93Å; V177-F180 HydrophobicContact CG1-CZ 4.21Å; V177-F180 HydrophobicContact CG2-CD1 4.47Å; V177-F180 HydrophobicContact CG2-CE1 4.02Å; F180-I212 VanDerWaalsContact CE1-O 3.31Å; F180-I212 WeakPolarHBondContact CE1-O 3.45Å; F180-T216 HydrophobicContact CE2-CG2 3.67Å; F180-T216 HydrophobicContact CZ-CG2 4.1Å; F180-H220 AromaticContact CD2-NE2 3.8Å; F180-W222 HydrophobicContact CE2-CZ3 4.46Å; F180-I299 HydrophobicContact CB-CD1 3.65Å; F180-I299 HydrophobicContact CB-CG1 4.02Å; F180-I299 HydrophobicContact CB-CG2 3.76Å; F180-I299 HydrophobicContact CD2-CD1 3.72Å; F180-I299 HydrophobicContact CE2-CD1 4.5Å; F180-I299 HydrophobicContact CG-CD1 3.76Å; F180-I299 HydrophobicContact CG-CG2 4.49Å; F180-W303 WeakPolarHBondContact O-CZ2 3.22Å; F180-W303 PolarHBondContact O-NE1 3.05Å
181	R	98.6	Very high	93.8	Very high	91 Å²	91	41.5 Å²	41.5	34%	0.343	21%	0.209	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-109.8	2.4	-177.8	-58.4	-173.9	-171.3	-166.3	1	113	D179 M190 F302	D179-R181 PolarHBondContact O-N 3.03Å; D179-R181 PolarHBondContact OD1-N 2.96Å; R181-M190 WeakPolarHBondContact O-CE 3.33Å; R181-F302 HydrophobicContact CB-CD1 4.23Å; R181-F302 HydrophobicContact CB-CE1 3.9Å; R181-F302 HydrophobicContact CB-CE2 4.34Å; R181-F302 HydrophobicContact CB-CZ 3.95Å; R181-F302 HydrophobicContact CG-CD1 4.13Å; R181-F302 HydrophobicContact CG-CD2 4.48Å; R181-F302 HydrophobicContact CG-CE1 4.32Å; R181-F302 HydrophobicContact CG-CG 4.22Å; R181-F302 WeakPolarHBondContact O-CZ 3.44Å
182	E	98.4	Very high	94.7	Very high	95 Å²	95	41.8 Å²	41.8	44%	0.444	21%	0.212	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.4	146.1	-178.2	-67.1	-64.8	155.5	0	0	111.4	Y166 K167 D179	Y166-E182 WeakPolarHBondContact CA-O 3.1Å; K167-E182 HydrophobicContact CB-CB 4.27Å; K167-E182 PolarHBondContact N-O 3.47Å; D179-E182 HydrophobicContact CB-CB 4.16Å; D179-E182 HydrophobicContact CB-CG 4.33Å
183	V	98.5	Very high	95.4	Very high	9 Å²	9	41.3 Å²	41.3	6%	0.055	21%	0.21	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-81	141.6	173.1	178.7	0	0	0	0	108.9	L142 F165 F187 M190 F193	L142-V183 HydrophobicContact CD1-CG1 4.02Å; F165-V183 HydrophobicContact CD2-CG1 4.26Å; F165-V183 HydrophobicContact CD2-CG2 4.11Å; F165-V183 HydrophobicContact CE2-CG2 4.17Å; V183-F187 HydrophobicContact CG1-CB 4Å; V183-M190 HydrophobicContact CG2-CE 4.2Å; V183-F193 HydrophobicContact CG2-CB 4.19Å
184	D	98.3	Very high	96.5	Very high	8 Å²	8	44.3 Å²	44.3	4%	0.043	22%	0.224	C	C	.	.			trans	-65.2	132.5	173.3	-160.5	-80	0	0	0	110.1	F165 S168 K171 I186 F187	F165-D184 PolarHBondContact O-N 2.59Å; S168-D184 PolarHBondContact N-OD2 2.95Å; K171-D184 WeakPolarHBondContact CE-OD1 3.3Å; K171-D184 WeakPolarHBondContact CE-OD2 3.4Å; K171-D184 VanDerWaalsContact NZ-CG 3.32Å; K171-D184 IonicContact NZ-OD1 2.78Å; K171-D184 PolarHBondContact NZ-OD1 2.99Å; K171-D184 IonicContact NZ-OD2 3.76Å; K171-D184 PolarHBondContact NZ-OD2 2.76Å; D184-I186 HydrophobicContact CB-CG1 4.43Å; D184-I186 PolarHBondContact O-N 3.25Å; D184-I186 WeakPolarHBondContact OD1-CG1 3.36Å; D184-I186 PolarHBondContact OD1-N 3.31Å; D184-F187 HydrophobicContact CB-CD2 3.69Å; D184-F187 HydrophobicContact CB-CE2 4Å; D184-F187 PolarHBondContact O-N 3.04Å
185	P	98	Very high	97.4	Very high	99 Å²	99	44.7 Å²	44.7	64%	0.643	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	-22.8	-175.4	-28.4	35.6	0	0	0	115.4	F187 G188	P185-F187 PolarHBondContact O-N 2.87Å; P185-G188 PolarHBondContact O-N 3.34Å
186	I	97.5	Very high	98.1	Very high	34 Å²	34	43.2 Å²	43.2	17%	0.174	23%	0.225	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.9	-20.4	175.7	71.9	168	0	0	0	112.9	R129 K171 D184	R129-I186 HydrophobicContact CG-CD1 4.15Å; K171-I186 HydrophobicContact CD-CD1 4.05Å; K171-I186 VanDerWaalsContact CE-CD1 3.48Å; D184-I186 HydrophobicContact CB-CG1 4.43Å; D184-I186 PolarHBondContact O-N 3.25Å; D184-I186 WeakPolarHBondContact OD1-CG1 3.36Å; D184-I186 PolarHBondContact OD1-N 3.31Å
187	F	98.6	Very high	98.4	Very high	13 Å²	13	43.5 Å²	43.5	6%	0.057	23%	0.226	C	C	.	.	T	Hydrogen-bonded Turn	trans	-98.9	-10.7	-178.6	-58.2	-52.7	0	0	0	113.1	P128 R129 G140 L142 F165 V183 D184 P185	P128-F187 HydrophobicContact CB-CD1 4.2Å; P128-F187 HydrophobicContact CB-CE1 4.1Å; P128-F187 HydrophobicContact CG-CD1 4.44Å; P128-F187 HydrophobicContact CG-CE1 3.99Å; P128-F187 HydrophobicContact CG-CZ 4.11Å; R129-F187 HydrophobicContact CB-CE1 3.73Å; R129-F187 HydrophobicContact CB-CZ 4.21Å; R129-F187 HydrophobicContact CG-CE1 4.09Å; G140-F187 WeakPolarHBondContact O-CD1 3.44Å; L142-F187 HydrophobicContact CG-CB 4.2Å; L142-F187 WeakPolarHBondContact CG-O 3.47Å; L142-F187 PolarHBondContact N-O 3.34Å; F165-F187 HydrophobicContact CB-CD2 3.61Å; F165-F187 HydrophobicContact CB-CE2 3.98Å; F165-F187 HydrophobicContact CB-CG 4.24Å; V183-F187 HydrophobicContact CG1-CB 4Å; D184-F187 HydrophobicContact CB-CD2 3.69Å; D184-F187 HydrophobicContact CB-CE2 4Å; D184-F187 PolarHBondContact O-N 3.04Å; P185-F187 PolarHBondContact O-N 2.87Å
188	G	98.1	Very high	98.5	Very high	22 Å²	22	45.8 Å²	45.8	23%	0.227	25%	0.246	C	C	.	.			trans	118.4	-147.7	-177.1	0	0	0	0	0	112.7	P185	P185-G188 PolarHBondContact O-N 3.34Å
189	T	98.6	Very high	98.5	Very high	73 Å²	73	44.4 Å²	44.4	45%	0.448	24%	0.242	S	C	.	.			trans	-117.7	173	-175.1	66.9	0	0	0	0	112.1	E191 D192 F193	T189-E191 PolarHBondContact O-N 3.29Å; T189-E191 PolarHBondContact OG1-N 3.41Å; T189-D192 WeakPolarHBondContact CB-OD2 3.48Å; T189-D192 PolarHBondContact N-OD2 3.24Å; T189-D192 PolarHBondContact O-N 3.47Å; T189-D192 PolarHBondContact OG1-N 3.09Å; T189-D192 PolarHBondContact OG1-OD2 3.21Å; T189-F193 PolarHBondContact O-N 3.13Å
190	M	98.7	Very high	98.6	Very high	31 Å²	31	41.6 Å²	41.6	15%	0.153	23%	0.227	C	C	.	.	H	α-helix	trans	-61.1	-31.2	170.5	-174.8	60	60.3	0	0	112.4	R181 V183 F193 E194 F302 W303 K306	R181-M190 WeakPolarHBondContact O-CE 3.33Å; V183-M190 HydrophobicContact CG2-CE 4.2Å; M190-F193 WeakPolarHBondContact O-CB 3.46Å; M190-F193 PolarHBondContact O-N 3.09Å; M190-F193 HydrophobicContact SD-CD1 4.12Å; M190-E194 WeakPolarHBondContact O-CG 3.43Å; M190-E194 PolarHBondContact O-N 2.98Å; M190-F302 HydrophobicContact CE-CE1 4.17Å; M190-F302 HydrophobicContact CE-CZ 4Å; M190-W303 HydrophobicContact CE-CH2 3.82Å; M190-W303 HydrophobicContact CE-CZ3 4.28Å; M190-W303 HydrophobicContact SD-CZ3 4.4Å; M190-K306 VanDerWaalsContact CG-NZ 3.35Å; M190-K306 HydrophobicContact SD-CD 4.16Å; M190-K306 PolarHBondContact SD-NZ 3.07Å
191	E	98.8	Very high	98.6	Very high	130 Å²	130	44.3 Å²	44.3	61%	0.607	24%	0.239	S	C	*	.	H	α-helix	trans	-66.6	-40.9	175.5	-176.8	178.6	177.8	0	0	111	T189 F193 E194 N195	T189-E191 PolarHBondContact O-N 3.29Å; T189-E191 PolarHBondContact OG1-N 3.41Å; E191-F193 VanDerWaalsContact C-N 3.28Å; E191-F193 PolarHBondContact O-N 3.25Å; E191-E194 PolarHBondContact O-N 3.08Å; E191-N195 WeakPolarHBondContact O-CB 3.09Å; E191-N195 PolarHBondContact O-N 3.13Å; E191-N195 PolarHBondContact O-ND2 3.11Å
192	D	98.8	Very high	98.6	Very high	43 Å²	43	46.8 Å²	46.8	23%	0.23	26%	0.26	C	S	.	.	H	α-helix	trans	-61.7	-38.2	174.7	-61.3	-60.3	0	0	0	111.7	L142 T189 L196	L142-D192 HydrophobicContact CB-CB 4.43Å; T189-D192 WeakPolarHBondContact CB-OD2 3.48Å; T189-D192 PolarHBondContact N-OD2 3.24Å; T189-D192 PolarHBondContact O-N 3.47Å; T189-D192 PolarHBondContact OG1-N 3.09Å; T189-D192 PolarHBondContact OG1-OD2 3.21Å; D192-L196 WeakPolarHBondContact O-CB 2.94Å; D192-L196 PolarHBondContact O-N 3.45Å
193	F	98.9	Very high	98.6	Very high	0 Å²	0	46.3 Å²	46.3	0%	0	26%	0.256	C	S	.	.	H	α-helix	trans	-64.3	-47.6	173.6	177.1	-96.5	0	0	0	112.3	L142 F165 V183 T189 M190 E191 N195 L196 V197 L207 W303 K306 V308	L142-F193 HydrophobicContact CD1-CB 3.82Å; L142-F193 HydrophobicContact CD1-CD2 4.22Å; F165-F193 HydrophobicContact CE1-CE2 4.28Å; F165-F193 AromaticContact CE2-CD2 3.92Å; F165-F193 HydrophobicContact CE2-CD2 3.92Å; F165-F193 HydrophobicContact CE2-CE2 4.03Å; F165-F193 AromaticContact CZ-CD2 3.82Å; F165-F193 HydrophobicContact CZ-CD2 3.82Å; F165-F193 AromaticContact CZ-CE2 3.49Å; F165-F193 HydrophobicContact CZ-CE2 3.49Å; F165-F193 VanDerWaalsContact CZ-CE2 3.49Å; F165-F193 HydrophobicContact CZ-CZ 4.34Å; V183-F193 HydrophobicContact CG2-CB 4.19Å; T189-F193 PolarHBondContact O-N 3.13Å; M190-F193 WeakPolarHBondContact O-CB 3.46Å; M190-F193 PolarHBondContact O-N 3.09Å; M190-F193 HydrophobicContact SD-CD1 4.12Å; E191-F193 VanDerWaalsContact C-N 3.28Å; E191-F193 PolarHBondContact O-N 3.25Å; F193-N195 VanDerWaalsContact C-N 3.32Å; F193-N195 PolarHBondContact O-N 2.83Å; F193-L196 WeakPolarHBondContact O-CB 3.31Å; F193-L196 PolarHBondContact O-N 3.42Å; F193-V197 HydrophobicContact CD1-CG2 4.14Å; F193-V197 HydrophobicContact CE1-CG2 3.61Å; F193-V197 HydrophobicContact CE2-CG2 4.07Å; F193-V197 HydrophobicContact CZ-CG2 3.58Å; F193-V197 WeakPolarHBondContact O-CG2 3.41Å; F193-V197 PolarHBondContact O-N 2.95Å; F193-L207 HydrophobicContact CE2-CD2 4.06Å; F193-L207 HydrophobicContact CZ-CD2 4.25Å; F193-W303 HydrophobicContact CD1-CE3 4.5Å; F193-W303 AromaticContact CD1-CZ3 3.83Å; F193-W303 HydrophobicContact CD1-CZ3 3.83Å; F193-W303 HydrophobicContact CD2-CZ3 4.37Å; F193-W303 AromaticContact CE1-CE3 3.76Å; F193-W303 HydrophobicContact CE1-CE3 3.76Å; F193-W303 AromaticContact CE1-CZ3 3.52Å; F193-W303 HydrophobicContact CE1-CZ3 3.52Å; F193-W303 HydrophobicContact CE2-CZ3 4.11Å; F193-W303 HydrophobicContact CG-CZ3 4.24Å; F193-W303 AromaticContact CZ-CE3 3.78Å; F193-W303 HydrophobicContact CZ-CE3 3.78Å; F193-W303 AromaticContact CZ-CZ3 3.67Å; F193-W303 HydrophobicContact CZ-CZ3 3.67Å; F193-K306 HydrophobicContact CE1-CB 4.01Å; F193-V308 HydrophobicContact CE1-CG2 4.4Å; F193-V308 HydrophobicContact CZ-CG2 3.68Å
194	E	98.8	Very high	98.6	Very high	83 Å²	83	48 Å²	48	39%	0.388	28%	0.275	S	S	.	.	H	α-helix	trans	-61.1	-41.4	178.2	-71.8	172.6	160.4	0	0	111.8	M190 E191 V197 A198 K306	M190-E194 WeakPolarHBondContact O-CG 3.43Å; M190-E194 PolarHBondContact O-N 2.98Å; E191-E194 PolarHBondContact O-N 3.08Å; E194-V197 PolarHBondContact O-N 3.27Å; E194-A198 PolarHBondContact O-N 3.36Å; E194-K306 HydrophobicContact CG-CD 4.21Å; E194-K306 IonicContact OE1-NZ 3.93Å; E194-K306 PolarHBondContact OE1-NZ 3.34Å
195	N	98.8	Very high	98.6	Very high	70 Å²	70	47.9 Å²	47.9	37%	0.374	27%	0.274	S	S	.	.	H	α-helix	trans	-62.6	-40.8	174.4	-72.7	-30.6	0	0	0	112.1	E191 F193 A199	E191-N195 WeakPolarHBondContact O-CB 3.09Å; E191-N195 PolarHBondContact O-N 3.13Å; E191-N195 PolarHBondContact O-ND2 3.11Å; F193-N195 VanDerWaalsContact C-N 3.32Å; F193-N195 PolarHBondContact O-N 2.83Å; N195-A199 WeakPolarHBondContact O-CB 3.38Å; N195-A199 PolarHBondContact O-N 3Å
196	L	98.9	Very high	98.7	Very high	0 Å²	0	44.5 Å²	44.5	0%	0	25%	0.25	C	C	.	.	H	α-helix	trans	-64.4	-46.3	176	176.4	62	0	0	0	111.6	L142 I145 Q146 L149 I162 D192 F193 A198 A199 I200	L142-L196 HydrophobicContact CB-CD2 4.17Å; L142-L196 HydrophobicContact CD2-CD2 4.06Å; I145-L196 HydrophobicContact CB-CD1 4.35Å; I145-L196 HydrophobicContact CB-CD2 4.47Å; I145-L196 HydrophobicContact CG2-CD1 4.06Å; I145-L196 HydrophobicContact CG2-CD2 4.43Å; Q146-L196 HydrophobicContact CB-CD1 3.9Å; Q146-L196 HydrophobicContact CG-CD1 4.41Å; L149-L196 HydrophobicContact CD1-CD1 4.43Å; I162-L196 HydrophobicContact CD1-CD2 3.78Å; D192-L196 WeakPolarHBondContact O-CB 2.94Å; D192-L196 PolarHBondContact O-N 3.45Å; F193-L196 WeakPolarHBondContact O-CB 3.31Å; F193-L196 PolarHBondContact O-N 3.42Å; L196-A198 PolarHBondContact O-N 3.33Å; L196-A199 PolarHBondContact O-N 3.17Å; L196-I200 HydrophobicContact CD1-CD1 3.88Å; L196-I200 HydrophobicContact CD1-CG1 4.08Å; L196-I200 HydrophobicContact CG-CD1 3.88Å; L196-I200 HydrophobicContact CG-CG1 4.45Å; L196-I200 WeakPolarHBondContact O-CB 3.4Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.05Å
197	V	98.9	Very high	98.7	Very high	6 Å²	6	42.9 Å²	42.9	4%	0.036	24%	0.241	C	C	.	.	H	α-helix	trans	-58.4	-48.2	177.8	173.5	0	0	0	0	110.8	F193 E194 A199 I200 H201 L207	F193-V197 HydrophobicContact CD1-CG2 4.14Å; F193-V197 HydrophobicContact CE1-CG2 3.61Å; F193-V197 HydrophobicContact CE2-CG2 4.07Å; F193-V197 HydrophobicContact CZ-CG2 3.58Å; F193-V197 WeakPolarHBondContact O-CG2 3.41Å; F193-V197 PolarHBondContact O-N 2.95Å; E194-V197 PolarHBondContact O-N 3.27Å; V197-A199 PolarHBondContact O-N 2.69Å; V197-I200 PolarHBondContact O-N 3.02Å; V197-H201 PolarHBondContact O-N 3.27Å; V197-L207 HydrophobicContact CG2-CD2 3.8Å
198	A	98.9	Very high	98.8	Very high	49 Å²	49	42.3 Å²	42.3	41%	0.405	24%	0.239	S	C	.	.	H	α-helix	trans	-58.7	-48.3	177.8	0	0	0	0	0	111.6	E194 L196 I200 H201 D202	E194-A198 PolarHBondContact O-N 3.36Å; L196-A198 PolarHBondContact O-N 3.33Å; A198-I200 VanDerWaalsContact C-N 3.35Å; A198-I200 PolarHBondContact O-N 2.91Å; A198-H201 PolarHBondContact O-N 2.88Å; A198-D202 PolarHBondContact O-N 2.78Å
199	A	98.9	Very high	98.8	Very high	16 Å²	16	41.2 Å²	41.2	13%	0.132	23%	0.228	C	C	.	.	H	α-helix	trans	-65.7	-34	-179.5	0	0	0	0	0	113.6	Q146 L149 N195 L196 V197 K203	Q146-A199 HydrophobicContact CG-CB 3.81Å; L149-A199 HydrophobicContact CD1-CB 3.72Å; N195-A199 WeakPolarHBondContact O-CB 3.38Å; N195-A199 PolarHBondContact O-N 3Å; L196-A199 PolarHBondContact O-N 3.17Å; V197-A199 PolarHBondContact O-N 2.69Å; A199-K203 PolarHBondContact O-N 3.32Å
200	I	98.9	Very high	98.8	Very high	0 Å²	0	38.3 Å²	38.3	0%	0	21%	0.209	C	C	.	.	H	α-helix	trans	-62.4	-48.5	172.1	-76.1	174.2	0	0	0	109.7	L149 L196 V197 A198 K203 G204 L205 L207	L149-I200 HydrophobicContact CD1-CG1 4.02Å; L149-I200 HydrophobicContact CD2-CD1 4.45Å; L149-I200 HydrophobicContact CD2-CG1 3.69Å; L196-I200 HydrophobicContact CD1-CD1 3.88Å; L196-I200 HydrophobicContact CD1-CG1 4.08Å; L196-I200 HydrophobicContact CG-CD1 3.88Å; L196-I200 HydrophobicContact CG-CG1 4.45Å; L196-I200 WeakPolarHBondContact O-CB 3.4Å; L196-I200 VanDerWaalsContact O-CG1 3.3Å; L196-I200 WeakPolarHBondContact O-CG1 3.49Å; L196-I200 PolarHBondContact O-N 3.05Å; V197-I200 PolarHBondContact O-N 3.02Å; A198-I200 VanDerWaalsContact C-N 3.35Å; A198-I200 PolarHBondContact O-N 2.91Å; I200-K203 PolarHBondContact O-N 3.4Å; I200-G204 PolarHBondContact O-N 3.1Å; I200-L205 HydrophobicContact CG2-CB 3.63Å; I200-L205 WeakPolarHBondContact O-CB 3.4Å; I200-L205 PolarHBondContact O-N 3.02Å; I200-L205 VanDerWaalsContact O-N 3.13Å; I200-L207 HydrophobicContact CD1-CB 4.15Å; I200-L207 HydrophobicContact CD1-CD1 4.09Å; I200-L207 HydrophobicContact CD1-CD2 4.31Å; I200-L207 HydrophobicContact CD1-CG 4.41Å; I200-L207 HydrophobicContact CG2-CB 4.3Å
201	H	98.8	Very high	98.8	Very high	58 Å²	58	36.9 Å²	36.9	27%	0.269	20%	0.202	S	C	.	.	H	α-helix	trans	-67.6	-37.3	-178.7	-68.6	169.4	0	0	0	112.9	V197 A198 K203 G204 G307 D309	V197-H201 PolarHBondContact O-N 3.27Å; A198-H201 PolarHBondContact O-N 2.88Å; H201-K203 PolarHBondContact O-N 2.99Å; H201-G204 PolarHBondContact O-N 3.1Å; H201-G307 PolarHBondContact CE1-O 3.36Å; H201-G307 VanDerWaalsContact CE1-O 3.26Å; H201-D309 IonicContact CD2-OD2 3.73Å; H201-D309 IonicContact CE1-OD2 2.82Å; H201-D309 IonicContact NE2-OD1 2.58Å; H201-D309 IonicContact NE2-OD2 3.45Å; H201-D309 PolarHBondContact NE2-OD2 3.24Å
202	D	98.8	Very high	98.7	Very high	144 Å²	144	30.7 Å²	30.7	77%	0.77	17%	0.174	S	C	*	.	H	α-helix	trans	-59.9	-25.8	175.4	-75.5	-17.5	0	0	0	112.7	A198	A198-D202 PolarHBondContact O-N 2.78Å
203	K	98.6	Very high	98.7	Very high	85 Å²	85	28.7 Å²	28.7	37%	0.37	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	-93.9	5.4	175.5	-68.3	179.9	-176.1	-67.4	0	113.7	L149 D150 T153 A199 I200 H201 L205	L149-K203 HydrophobicContact CB-CD 3.7Å; L149-K203 HydrophobicContact CD1-CD 4.38Å; D150-K203 WeakPolarHBondContact OD1-CE 3.42Å; D150-K203 IonicContact OD1-NZ 3.55Å; D150-K203 PolarHBondContact OD1-NZ 3.11Å; D150-K203 IonicContact OD2-NZ 2.77Å; T153-K203 HydrophobicContact CG2-CB 4.14Å; T153-K203 HydrophobicContact CG2-CD 4.16Å; A199-K203 PolarHBondContact O-N 3.32Å; I200-K203 PolarHBondContact O-N 3.4Å; H201-K203 PolarHBondContact O-N 2.99Å; K203-L205 HydrophobicContact CB-CD1 4.39Å; K203-L205 HydrophobicContact CB-CG 4.26Å; K203-L205 PolarHBondContact O-N 2.78Å
204	G	98.4	Very high	98.7	Very high	43 Å²	43	28.8 Å²	28.8	44%	0.443	16%	0.163	S	C	.	.	T	Hydrogen-bonded Turn	trans	71.5	13.9	-179.9	0	0	0	0	0	114.7	K158 I200 H201	K158-G204 PolarHBondContact NZ-O 2.84Å; I200-G204 PolarHBondContact O-N 3.1Å; H201-G204 PolarHBondContact O-N 3.1Å
205	L	98.8	Very high	98.7	Very high	6 Å²	6	24.8 Å²	24.8	3%	0.031	15%	0.145	C	C	.	.			trans	-82.7	167.6	174.6	-60.9	176.6	0	0	0	110.7	L149 I152 T153 I157 K158 V160 I200 K203	L149-L205 HydrophobicContact CD2-CD1 4.26Å; I152-L205 HydrophobicContact CG2-CD1 4.2Å; T153-L205 HydrophobicContact CG2-CD1 3.96Å; T153-L205 HydrophobicContact CG2-CD2 4.23Å; T153-L205 HydrophobicContact CG2-CG 4.2Å; I157-L205 WeakPolarHBondContact O-CD2 3.29Å; K158-L205 WeakPolarHBondContact O-CA 3.28Å; V160-L205 HydrophobicContact CG2-CD1 4.47Å; I200-L205 HydrophobicContact CG2-CB 3.63Å; I200-L205 WeakPolarHBondContact O-CB 3.4Å; I200-L205 PolarHBondContact O-N 3.02Å; I200-L205 VanDerWaalsContact O-N 3.13Å; K203-L205 HydrophobicContact CB-CD1 4.39Å; K203-L205 HydrophobicContact CB-CG 4.26Å; K203-L205 PolarHBondContact O-N 2.78Å
206	K	98.9	Very high	98.6	Very high	29 Å²	29	21.5 Å²	21.5	13%	0.126	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-121.9	147.3	176.8	-66.1	-68.8	-173.7	-175.7	0	110.5	W117 K158 T159 V160 D309	W117-K206 HydrophobicContact CD2-CB 4.39Å; W117-K206 HydrophobicContact CD2-CD 4.15Å; W117-K206 HydrophobicContact CD2-CG 3.79Å; W117-K206 HydrophobicContact CE3-CB 3.76Å; W117-K206 HydrophobicContact CE3-CD 4.35Å; W117-K206 HydrophobicContact CE3-CG 3.56Å; W117-K206 HydrophobicContact CG-CD 4.45Å; W117-K206 HydrophobicContact CG-CG 4.23Å; W117-K206 HydrophobicContact CH2-CB 4.27Å; W117-K206 HydrophobicContact CZ3-CB 3.7Å; W117-K206 HydrophobicContact CZ3-CG 4.03Å; K158-K206 PolarHBondContact O-N 2.78Å; T159-K206 CarbonylContact C-O 3.42Å; T159-K206 WeakPolarHBondContact CA-O 3.18Å; T159-K206 HydrophobicContact CG2-CB 4.23Å; V160-K206 PolarHBondContact N-O 3.47Å; K206-D309 WeakPolarHBondContact CA-OD2 3.33Å; K206-D309 HydrophobicContact CB-CB 4.28Å; K206-D309 HydrophobicContact CD-CB 3.93Å; K206-D309 VanDerWaalsContact CD-OD1 3.23Å; K206-D309 WeakPolarHBondContact CD-OD1 3.25Å; K206-D309 WeakPolarHBondContact CD-OD2 3.49Å; K206-D309 IonicContact NZ-OD1 2.75Å; K206-D309 PolarHBondContact NZ-OD1 2.98Å
207	L	98.9	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	13%	0.127	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.5	123.3	178	177.3	64.9	0	0	0	111.2	V160 I162 F193 V197 I200 I209 D309 G310	V160-L207 HydrophobicContact CB-CD1 4.47Å; V160-L207 HydrophobicContact CG1-CD1 4.46Å; V160-L207 WeakPolarHBondContact O-CA 3.46Å; I162-L207 HydrophobicContact CB-CD1 4.41Å; I162-L207 HydrophobicContact CD1-CD1 3.61Å; I162-L207 HydrophobicContact CG1-CD1 3.67Å; F193-L207 HydrophobicContact CE2-CD2 4.06Å; F193-L207 HydrophobicContact CZ-CD2 4.25Å; V197-L207 HydrophobicContact CG2-CD2 3.8Å; I200-L207 HydrophobicContact CD1-CB 4.15Å; I200-L207 HydrophobicContact CD1-CD1 4.09Å; I200-L207 HydrophobicContact CD1-CD2 4.31Å; I200-L207 HydrophobicContact CD1-CG 4.41Å; I200-L207 HydrophobicContact CG2-CB 4.3Å; L207-I209 HydrophobicContact CD1-CG2 4.19Å; L207-I209 HydrophobicContact CD2-CG2 4.23Å; L207-I209 HydrophobicContact CG-CG2 4.04Å; L207-D309 PolarHBondContact N-OD2 3.25Å; L207-D309 WeakPolarHBondContact O-CA 3.38Å; L207-D309 WeakPolarHBondContact O-CB 3.45Å; L207-D309 PolarHBondContact O-N 3.17Å; L207-G310 PolarHBondContact O-N 3.49Å
208	I	98.9	Very high	98.6	Very high	0 Å²	0	23 Å²	23	0%	0	14%	0.135	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-113.7	149.7	163.6	71.4	172.8	0	0	0	110.1	W117 M123 T159 V160 W161 I162 G310 F380	W117-I208 HydrophobicContact CH2-CG2 4Å; M123-I208 HydrophobicContact SD-CD1 4.05Å; T159-I208 HydrophobicContact CG2-CD1 4.49Å; T159-I208 HydrophobicContact CG2-CG1 4.19Å; T159-I208 HydrophobicContact CG2-CG2 3.95Å; V160-I208 PolarHBondContact O-N 3.49Å; W161-I208 WeakPolarHBondContact CA-O 3.46Å; W161-I208 HydrophobicContact CB-CD1 3.83Å; W161-I208 HydrophobicContact CB-CG1 3.53Å; W161-I208 HydrophobicContact CD2-CD1 4.15Å; W161-I208 HydrophobicContact CG-CD1 3.8Å; W161-I208 HydrophobicContact CG-CG1 3.71Å; I162-I208 PolarHBondContact N-O 3.02Å; I208-G310 VanDerWaalsContact CA-O 3.3Å; I208-G310 WeakPolarHBondContact CA-O 3.27Å; I208-F380 HydrophobicContact CD1-CD1 4.16Å; I208-F380 HydrophobicContact CD1-CE1 4Å; I208-F380 HydrophobicContact CG2-CB 4.46Å; I208-F380 HydrophobicContact CG2-CD1 3.96Å
209	I	98.9	Very high	98.6	Very high	0 Å²	0	26.5 Å²	26.5	0%	0	14%	0.141	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-129.5	154.3	-180	70.1	177.7	0	0	0	111.1	I162 F165 Y166 L207 W303 V308 G310 F311 S312	I162-I209 WeakPolarHBondContact O-CA 3.31Å; F165-I209 HydrophobicContact CE1-CB 4Å; F165-I209 HydrophobicContact CE1-CD1 4.42Å; F165-I209 HydrophobicContact CE1-CG2 3.69Å; F165-I209 HydrophobicContact CZ-CB 4.46Å; F165-I209 HydrophobicContact CZ-CD1 4.04Å; F165-I209 HydrophobicContact CZ-CG2 4.08Å; Y166-I209 WeakPolarHBondContact OH-CD1 3.49Å; L207-I209 HydrophobicContact CD1-CG2 4.19Å; L207-I209 HydrophobicContact CD2-CG2 4.23Å; L207-I209 HydrophobicContact CG-CG2 4.04Å; I209-W303 HydrophobicContact CD1-CB 4.33Å; I209-W303 HydrophobicContact CD1-CD2 4.04Å; I209-W303 HydrophobicContact CD1-CE3 4.16Å; I209-W303 HydrophobicContact CD1-CG 4.11Å; I209-V308 HydrophobicContact CD1-CG1 4.3Å; I209-V308 HydrophobicContact CD1-CG2 4.03Å; I209-V308 HydrophobicContact CG1-CG1 4.04Å; I209-V308 HydrophobicContact CG2-CG1 4.47Å; I209-G310 PolarHBondContact N-O 2.79Å; I209-F311 HydrophobicContact CD1-CD1 4.31Å; I209-F311 HydrophobicContact CD1-CE1 3.93Å; I209-F311 HydrophobicContact CG1-CD1 3.7Å; I209-F311 HydrophobicContact CG1-CE1 3.81Å; I209-F311 VanDerWaalsContact O-CA 3.29Å; I209-F311 WeakPolarHBondContact O-CA 3.17Å; I209-S312 PolarHBondContact O-N 3.28Å
210	D	98.3	Very high	98.6	Very high	12 Å²	12	26.1 Å²	26.1	6%	0.064	14%	0.136	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-63	146.9	170	-71.6	-7.5	0	0	0	111.2	W161 I162 T163 S164 Y166 I212 S312	W161-D210 PolarHBondContact NE1-OD1 2.91Å; I162-D210 PolarHBondContact O-N 3.2Å; T163-D210 WeakPolarHBondContact CA-OD2 3.46Å; T163-D210 VanDerWaalsContact CB-OD2 3.26Å; T163-D210 WeakPolarHBondContact CB-OD2 3.24Å; S164-D210 PolarHBondContact N-OD2 3.1Å; Y166-D210 VanDerWaalsContact CE2-O 3.3Å; Y166-D210 WeakPolarHBondContact CE2-O 3.41Å; Y166-D210 PolarHBondContact OH-O 3.22Å; D210-I212 HydrophobicContact CB-CD1 4.4Å; D210-S312 CarbonylContact C-O 3.53Å
211	F	98.4	Very high	98.5	Very high	0 Å²	0	31 Å²	31	0%	0	16%	0.161	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.2	128.9	170.7	-172.9	-114.5	0	0	0	109.8	P213 I296 I299 L300 F311 S312 L313 D314	F211-P213 VanDerWaalsContact C-CD 3.49Å; F211-P213 HydrophobicContact CD1-CB 4.21Å; F211-P213 HydrophobicContact CD1-CG 4.35Å; F211-P213 HydrophobicContact CE1-CB 3.89Å; F211-P213 WeakPolarHBondContact O-CD 3.37Å; F211-I296 HydrophobicContact CE1-CG2 3.77Å; F211-I296 HydrophobicContact CZ-CG2 3.78Å; F211-I299 HydrophobicContact CE2-CB 4.22Å; F211-I299 HydrophobicContact CE2-CG2 3.61Å; F211-I299 HydrophobicContact CZ-CB 4.45Å; F211-I299 HydrophobicContact CZ-CG2 4.31Å; F211-L300 HydrophobicContact CD1-CD2 3.89Å; F211-L300 HydrophobicContact CD2-CD2 4.27Å; F211-L300 HydrophobicContact CE1-CD1 4.47Å; F211-L300 HydrophobicContact CE1-CD2 3.77Å; F211-L300 HydrophobicContact CE1-CG 4.02Å; F211-L300 HydrophobicContact CE2-CD2 4.21Å; F211-L300 HydrophobicContact CG-CD2 4.11Å; F211-L300 HydrophobicContact CZ-CD2 3.94Å; F211-L300 HydrophobicContact CZ-CG 3.97Å; F211-F311 HydrophobicContact CB-CB 4.24Å; F211-F311 HydrophobicContact CB-CD1 4.06Å; F211-F311 HydrophobicContact CB-CG 4.43Å; F211-S312 PolarHBondContact N-O 2.88Å; F211-L313 HydrophobicContact CB-CD2 3.99Å; F211-L313 HydrophobicContact CD1-CD2 3.66Å; F211-L313 HydrophobicContact CG-CD2 4.26Å; F211-D314 PolarHBondContact O-N 3.12Å
212	I	97.6	Very high	98.5	Very high	1 Å²	1	29.2 Å²	29.2	1%	0.005	15%	0.152	C	C	.	.			trans	-113.2	84.4	-173.1	-54.5	89.5	0	0	0	108.5	Y166 V177 F180 D210	Y166-I212 HydrophobicContact CD2-CD1 3.82Å; Y166-I212 HydrophobicContact CE2-CD1 3.65Å; V177-I212 HydrophobicContact CG2-CD1 4.38Å; F180-I212 VanDerWaalsContact CE1-O 3.31Å; F180-I212 WeakPolarHBondContact CE1-O 3.45Å; D210-I212 HydrophobicContact CB-CD1 4.4Å
213	P	97.9	Very high	98.5	Very high	0 Å²	0	22.6 Å²	22.6	0%	0	12%	0.117	C	C	.	.			trans	-77.3	-26.2	-176	28.8	-35.2	0	0	0	113.5	F211 L285 F287 I296 L319 F364	F211-P213 VanDerWaalsContact C-CD 3.49Å; F211-P213 HydrophobicContact CD1-CB 4.21Å; F211-P213 HydrophobicContact CD1-CG 4.35Å; F211-P213 HydrophobicContact CE1-CB 3.89Å; F211-P213 WeakPolarHBondContact O-CD 3.37Å; P213-L285 WeakPolarHBondContact O-CD1 3.49Å; P213-F287 HydrophobicContact CB-CZ 4Å; P213-F287 WeakPolarHBondContact O-CE2 3.42Å; P213-F287 WeakPolarHBondContact O-CZ 3.48Å; P213-I296 HydrophobicContact CB-CG2 4.47Å; P213-L319 HydrophobicContact CB-CD2 4.04Å; P213-L319 HydrophobicContact CG-CD2 4.02Å; P213-F364 HydrophobicContact CB-CE2 4.32Å; P213-F364 HydrophobicContact CB-CZ 4.37Å
214	N	98.6	Very high	98.5	Very high	2 Å²	2	21.4 Å²	21.4	1%	0.011	11%	0.112	C	C	.	.	S	Bend	trans	-67.7	-42.9	-163.1	-167	75.7	0	0	0	114.7	D284 L285 A315 F318 L319	N214-D284 PolarHBondContact ND2-OD1 3.47Å; N214-L285 PolarHBondContact O-N 3.49Å; N214-A315 HydrophobicContact CB-CB 4.46Å; N214-F318 PolarHBondContact OD1-O 2.9Å; N214-L319 HydrophobicContact CB-CD2 4.48Å; N214-L319 WeakPolarHBondContact OD1-CA 3.32Å; N214-L319 PolarHBondContact OD1-N 2.84Å
215	H	98.7	Very high	98.6	Very high	0 Å²	0	21.5 Å²	21.5	0%	0	10%	0.103	C	C	.	.	B	Isolated β-bridge	trans	-145.3	166.2	-169.8	53.7	-94.3	0	0	0	111.2	R174 Y175 F278 Q282 P283 D284	R174-H215 PolarHBondContact O-NE2 3.02Å; Y175-H215 PolarHBondContact O-NE2 2.78Å; Y175-H215 VanDerWaalsContact O-NE2 3.16Å; H215-F278 AromaticContact CE1-CD2 3.28Å; H215-F278 WeakPolarHBondContact CE1-CD2 3.08Å; H215-F278 AromaticContact CE1-CE2 3.49Å; H215-F278 VanDerWaalsContact CE1-CE2 3.49Å; H215-F278 WeakPolarHBondContact CE1-CE2 3.34Å; H215-F278 AromaticContact ND1-CD2 3.39Å; H215-F278 WeakPolarHBondContact ND1-CD2 3.26Å; H215-F278 AromaticContact ND1-CE2 3.57Å; H215-Q282 HydrophobicContact CB-CB 4.43Å; H215-Q282 PolarHBondContact NE2-NE2 3.08Å; H215-P283 WeakPolarHBondContact CB-O 3.46Å; H215-D284 WeakPolarHBondContact CB-OD1 3.28Å
216	T	98.7	Very high	98.6	Very high	0 Å²	0	21.2 Å²	21.2	0%	0	10%	0.101	C	C	.	.			trans	-118.8	176.6	168.7	75.7	0	0	0	0	109.4	F180 H220 W222 Y237 Q282 P283 L285	F180-T216 HydrophobicContact CE2-CG2 3.67Å; F180-T216 HydrophobicContact CZ-CG2 4.1Å; T216-H220 HydrophobicContact CG2-CB 4.46Å; T216-H220 WeakPolarHBondContact OG1-CB 3.42Å; T216-W222 HydrophobicContact CG2-CE3 4.15Å; T216-W222 HydrophobicContact CG2-CZ3 4.4Å; T216-Y237 HydrophobicContact CG2-CE1 4.42Å; T216-Y237 WeakPolarHBondContact OG1-CE1 3.44Å; T216-Y237 PolarHBondContact OG1-OH 2.92Å; T216-Q282 WeakPolarHBondContact O-CA 3.41Å; T216-P283 PolarHBondContact N-O 3.35Å; T216-P283 VanDerWaalsContact O-CD 3.26Å; T216-P283 WeakPolarHBondContact O-CD 3.28Å; T216-L285 HydrophobicContact CG2-CD1 3.88Å; T216-L285 HydrophobicContact CG2-CD2 3.94Å; T216-L285 HydrophobicContact CG2-CG 3.96Å
217	S	98.4	Very high	98.6	Very high	1 Å²	1	23.2 Å²	23.2	1%	0.007	11%	0.108	C	C	.	.			trans	-67.9	149.8	159.6	172.8	0	0	0	0	110.6	V177 K219 H220 E281	V177-S217 WeakPolarHBondContact O-CB 3.47Å; V177-S217 PolarHBondContact O-N 3.04Å; S217-K219 PolarHBondContact O-N 3.15Å; S217-K219 PolarHBondContact OG-N 3.44Å; S217-H220 WeakPolarHBondContact O-CB 3.4Å; S217-H220 PolarHBondContact O-N 3.18Å; S217-E281 CarbonylContact C-O 3.51Å; S217-E281 WeakPolarHBondContact CA-O 3.44Å
218	D	98.1	Very high	98.5	Very high	38 Å²	38	26.7 Å²	26.7	20%	0.203	13%	0.129	C	C	.	.	T	Hydrogen-bonded Turn	trans	-58	-18.6	163.8	64.7	-17.9	0	0	0	113.7	F223 Q224 E281 P283	D218-F223 HydrophobicContact CB-CD1 4.08Å; D218-F223 HydrophobicContact CB-CE1 4.08Å; D218-F223 WeakPolarHBondContact O-CD1 3.33Å; D218-Q224 PolarHBondContact O-NE2 3.03Å; D218-E281 PolarHBondContact N-O 3.28Å; D218-P283 HydrophobicContact CB-CG 4.35Å
219	K	98.3	Very high	98.5	Very high	121 Å²	121	32.7 Å²	32.7	53%	0.526	15%	0.152	S	C	.	.	T	Hydrogen-bonded Turn	trans	-87.1	-5.9	172.4	-58.1	-172.4	-158.9	156.4	0	113.9	S169 E178 S217	S169-K219 VanDerWaalsContact OG-CD 3.27Å; S169-K219 WeakPolarHBondContact OG-CD 3.49Å; S169-K219 VanDerWaalsContact OG-CE 3.31Å; S169-K219 WeakPolarHBondContact OG-CE 3.41Å; S169-K219 PolarHBondContact OG-NZ 3.17Å; E178-K219 HydrophobicContact CG-CB 4.15Å; S217-K219 PolarHBondContact O-N 3.15Å; S217-K219 PolarHBondContact OG-N 3.44Å
220	H	98.7	Very high	98.5	Very high	8 Å²	8	35.8 Å²	35.8	4%	0.037	17%	0.171	C	C	.	.	S	Bend	trans	-60.4	141.5	176.3	-165.9	-81.7	0	0	0	110.5	E178 F180 T216 S217 W222 F223 Q224	E178-H220 VanDerWaalsContact C-CD2 3.42Å; E178-H220 PolarHBondContact O-CD2 3.39Å; F180-H220 AromaticContact CD2-NE2 3.8Å; T216-H220 HydrophobicContact CG2-CB 4.46Å; T216-H220 WeakPolarHBondContact OG1-CB 3.42Å; S217-H220 WeakPolarHBondContact O-CB 3.4Å; S217-H220 PolarHBondContact O-N 3.18Å; H220-W222 AromaticContact CE1-CD1 3.74Å; H220-W222 AromaticContact CE1-CD2 3.2Å; H220-W222 AromaticContact CE1-CE2 3.51Å; H220-W222 AromaticContact CE1-CE3 3.56Å; H220-W222 AromaticContact CE1-CG 3.4Å; H220-W222 AromaticContact CE1-NE1 3.79Å; H220-W222 WeakPolarHBondContact ND1-CB 3.47Å; H220-W222 AromaticContact ND1-CD1 3.93Å; H220-W222 AromaticContact ND1-CD2 3.54Å; H220-W222 AromaticContact ND1-CE3 3.85Å; H220-W222 AromaticContact ND1-CG 3.33Å; H220-W222 VanDerWaalsContact ND1-CG 3.33Å; H220-W222 PolarHBondContact ND1-N 3.29Å; H220-W222 VanDerWaalsContact ND1-N 3.15Å; H220-W222 PolarHBondContact O-N 2.73Å; H220-W222 VanDerWaalsContact O-N 3.16Å; H220-F223 PolarHBondContact O-N 2.75Å; H220-Q224 PolarHBondContact O-N 2.94Å; H220-Q224 VanDerWaalsContact O-N 3.14Å
221	I	98.6	Very high	98.5	Very high	103 Å²	103	38.1 Å²	38.1	53%	0.528	20%	0.197	S	C	.	.	H	α-helix	trans	-57.7	-35.9	-176.4	-171.7	58.6	0	0	0	112.2	F223 Q224 L225	I221-F223 PolarHBondContact O-N 3.23Å; I221-Q224 PolarHBondContact O-N 2.81Å; I221-L225 HydrophobicContact CD1-CD1 4.35Å; I221-L225 HydrophobicContact CD1-CG 4.24Å; I221-L225 HydrophobicContact CG1-CD1 3.95Å; I221-L225 HydrophobicContact CG1-CG 4.29Å; I221-L225 WeakPolarHBondContact O-CB 3.48Å; I221-L225 VanDerWaalsContact O-CG 3.24Å; I221-L225 WeakPolarHBondContact O-CG 3.5Å; I221-L225 PolarHBondContact O-N 3.19Å
222	W	98.8	Very high	98.5	Very high	20 Å²	20	42.9 Å²	42.9	8%	0.076	22%	0.218	C	C	.	.	H	α-helix	trans	-60.1	-43.2	175.2	-58.7	-16	0	0	0	112.2	F180 T216 H220 L225 S226 Y233 Y236 Y237 L285 E295 I299	F180-W222 HydrophobicContact CE2-CZ3 4.46Å; T216-W222 HydrophobicContact CG2-CE3 4.15Å; T216-W222 HydrophobicContact CG2-CZ3 4.4Å; H220-W222 AromaticContact CE1-CD1 3.74Å; H220-W222 AromaticContact CE1-CD2 3.2Å; H220-W222 AromaticContact CE1-CE2 3.51Å; H220-W222 AromaticContact CE1-CE3 3.56Å; H220-W222 AromaticContact CE1-CG 3.4Å; H220-W222 AromaticContact CE1-NE1 3.79Å; H220-W222 WeakPolarHBondContact ND1-CB 3.47Å; H220-W222 AromaticContact ND1-CD1 3.93Å; H220-W222 AromaticContact ND1-CD2 3.54Å; H220-W222 AromaticContact ND1-CE3 3.85Å; H220-W222 AromaticContact ND1-CG 3.33Å; H220-W222 VanDerWaalsContact ND1-CG 3.33Å; H220-W222 PolarHBondContact ND1-N 3.29Å; H220-W222 VanDerWaalsContact ND1-N 3.15Å; H220-W222 PolarHBondContact O-N 2.73Å; H220-W222 VanDerWaalsContact O-N 3.16Å; W222-L225 PolarHBondContact O-N 3.29Å; W222-S226 WeakPolarHBondContact O-CB 3.49Å; W222-S226 PolarHBondContact O-N 3.42Å; W222-Y233 HydrophobicContact CB-CD1 4.15Å; W222-Y233 AromaticContact CD1-CD1 3.82Å; W222-Y233 AromaticContact CD1-CE1 3.32Å; W222-Y233 HydrophobicContact CG-CD1 4.11Å; W222-Y233 HydrophobicContact CG-CE1 4.01Å; W222-Y233 AromaticContact NE1-CE1 3.81Å; W222-Y236 HydrophobicContact CB-CD1 3.99Å; W222-Y236 AromaticContact CD2-CD1 3.89Å; W222-Y236 HydrophobicContact CD2-CD1 3.89Å; W222-Y236 AromaticContact CD2-CE1 3.88Å; W222-Y236 HydrophobicContact CD2-CE1 3.88Å; W222-Y236 HydrophobicContact CE3-CD1 4.05Å; W222-Y236 HydrophobicContact CE3-CE1 4.26Å; W222-Y236 AromaticContact CG-CD1 3.9Å; W222-Y236 HydrophobicContact CG-CD1 3.9Å; W222-Y236 HydrophobicContact CG-CE1 4.06Å; W222-Y237 HydrophobicContact CB-CE2 3.93Å; W222-Y237 WeakPolarHBondContact CB-OH 3.5Å; W222-L285 HydrophobicContact CE3-CD2 4.02Å; W222-L285 HydrophobicContact CZ3-CD1 4.3Å; W222-L285 HydrophobicContact CZ3-CD2 4.3Å; W222-E295 HydrophobicContact CH2-CB 3.64Å; W222-E295 HydrophobicContact CH2-CG 4.39Å; W222-E295 HydrophobicContact CZ2-CB 3.78Å; W222-E295 HydrophobicContact CZ2-CG 4.11Å; W222-I299 HydrophobicContact CH2-CD1 3.91Å
223	F	98.8	Very high	98.5	Very high	5 Å²	5	45.3 Å²	45.3	2%	0.022	23%	0.228	C	C	.	.	H	α-helix	trans	-67.9	-41.6	179	-171.1	-100.9	0	0	0	111.2	D218 H220 I221 L225 S226 R227 Y237 W239 Y274 P283	D218-F223 HydrophobicContact CB-CD1 4.08Å; D218-F223 HydrophobicContact CB-CE1 4.08Å; D218-F223 WeakPolarHBondContact O-CD1 3.33Å; H220-F223 PolarHBondContact O-N 2.75Å; I221-F223 PolarHBondContact O-N 3.23Å; F223-L225 VanDerWaalsContact C-N 3.32Å; F223-L225 PolarHBondContact O-N 3.34Å; F223-S226 WeakPolarHBondContact O-CB 3.29Å; F223-S226 PolarHBondContact O-N 2.89Å; F223-S226 VanDerWaalsContact O-N 3.13Å; F223-R227 PolarHBondContact O-N 3.21Å; F223-Y237 HydrophobicContact CB-CE1 4.28Å; F223-Y237 HydrophobicContact CB-CE2 3.85Å; F223-Y237 AromaticContact CD2-CD1 3.88Å; F223-Y237 HydrophobicContact CD2-CD1 3.88Å; F223-Y237 AromaticContact CD2-CD2 3.96Å; F223-Y237 HydrophobicContact CD2-CD2 3.96Å; F223-Y237 AromaticContact CD2-CE1 3.9Å; F223-Y237 HydrophobicContact CD2-CE1 3.9Å; F223-Y237 HydrophobicContact CD2-CE2 4.02Å; F223-Y237 AromaticContact CD2-CG 3.9Å; F223-Y237 HydrophobicContact CD2-CG 3.9Å; F223-Y237 AromaticContact CD2-CZ 3.97Å; F223-Y237 HydrophobicContact CE2-CG 4.49Å; F223-Y237 HydrophobicContact CG-CE2 4.44Å; F223-Y237 PolarHBondContact N-OH 2.92Å; F223-W239 HydrophobicContact CD2-CZ2 4.36Å; F223-W239 HydrophobicContact CE2-CH2 4.01Å; F223-W239 AromaticContact CE2-CZ2 3.6Å; F223-W239 HydrophobicContact CE2-CZ2 3.6Å; F223-W239 AromaticContact CZ-CH2 3.83Å; F223-W239 HydrophobicContact CZ-CH2 3.83Å; F223-W239 AromaticContact CZ-CZ2 3.87Å; F223-W239 HydrophobicContact CZ-CZ2 3.87Å; F223-Y274 HydrophobicContact CE2-CD1 4.31Å; F223-Y274 HydrophobicContact CE2-CD2 4.26Å; F223-Y274 HydrophobicContact CE2-CG 4.11Å; F223-Y274 AromaticContact CZ-CD1 3.87Å; F223-Y274 HydrophobicContact CZ-CD1 3.87Å; F223-Y274 HydrophobicContact CZ-CD2 4.39Å; F223-Y274 AromaticContact CZ-CE1 3.88Å; F223-Y274 HydrophobicContact CZ-CE1 3.88Å; F223-Y274 HydrophobicContact CZ-CE2 4.4Å; F223-Y274 HydrophobicContact CZ-CG 4.13Å; F223-P283 HydrophobicContact CB-CG 4.49Å; F223-P283 HydrophobicContact CD2-CB 3.65Å; F223-P283 HydrophobicContact CD2-CG 3.43Å; F223-P283 VanDerWaalsContact CD2-CG 3.43Å; F223-P283 HydrophobicContact CE2-CB 3.48Å; F223-P283 VanDerWaalsContact CE2-CB 3.48Å; F223-P283 HydrophobicContact CE2-CG 3.67Å; F223-P283 HydrophobicContact CG-CG 3.95Å; F223-P283 HydrophobicContact CZ-CB 4.31Å; F223-P283 HydrophobicContact CZ-CG 4.35Å
224	Q	98.8	Very high	98.6	Very high	60 Å²	60	46.7 Å²	46.7	28%	0.28	24%	0.236	S	C	.	.	H	α-helix	trans	-60.6	-40.5	176.8	-63.2	-60.1	-42.9	0	0	112.3	D218 H220 I221 R227 T228	D218-Q224 PolarHBondContact O-NE2 3.03Å; H220-Q224 PolarHBondContact O-N 2.94Å; H220-Q224 VanDerWaalsContact O-N 3.14Å; I221-Q224 PolarHBondContact O-N 2.81Å; Q224-R227 WeakPolarHBondContact O-CG 3.5Å; Q224-T228 PolarHBondContact O-OG1 3.39Å; Q224-T228 VanDerWaalsContact O-OG1 3.08Å
225	L	98.8	Very high	98.6	Very high	45 Å²	45	51.1 Å²	51.1	24%	0.236	26%	0.26	C	S	.	.	H	α-helix	trans	-74	-34.5	174	-65.1	175.1	0	0	0	112	I221 W222 F223 T228 R229 T230 Y233	I221-L225 HydrophobicContact CD1-CD1 4.35Å; I221-L225 HydrophobicContact CD1-CG 4.24Å; I221-L225 HydrophobicContact CG1-CD1 3.95Å; I221-L225 HydrophobicContact CG1-CG 4.29Å; I221-L225 WeakPolarHBondContact O-CB 3.48Å; I221-L225 VanDerWaalsContact O-CG 3.24Å; I221-L225 WeakPolarHBondContact O-CG 3.5Å; I221-L225 PolarHBondContact O-N 3.19Å; W222-L225 PolarHBondContact O-N 3.29Å; F223-L225 VanDerWaalsContact C-N 3.32Å; F223-L225 PolarHBondContact O-N 3.34Å; L225-T228 PolarHBondContact O-OG1 2.9Å; L225-R229 PolarHBondContact O-N 3.15Å; L225-T230 HydrophobicContact CD2-CG2 3.95Å; L225-T230 WeakPolarHBondContact O-CB 3.42Å; L225-T230 PolarHBondContact O-N 2.73Å; L225-Y233 HydrophobicContact CB-CD2 3.71Å; L225-Y233 HydrophobicContact CB-CG 3.81Å; L225-Y233 HydrophobicContact CD1-CD2 3.49Å; L225-Y233 VanDerWaalsContact CD1-CD2 3.49Å; L225-Y233 HydrophobicContact CD1-CE2 3.43Å; L225-Y233 VanDerWaalsContact CD1-CE2 3.43Å; L225-Y233 HydrophobicContact CD1-CG 4.12Å; L225-Y233 HydrophobicContact CG-CD2 4.22Å
226	S	98.9	Very high	98.6	Very high	0 Å²	0	51.1 Å²	51.1	0%	0	26%	0.26	C	S	.	.	H	α-helix	trans	-65.8	-50	177.8	-165.7	0	0	0	0	111.6	W222 F223 T228 R229 Y233 T234 W239 R270	W222-S226 WeakPolarHBondContact O-CB 3.49Å; W222-S226 PolarHBondContact O-N 3.42Å; F223-S226 WeakPolarHBondContact O-CB 3.29Å; F223-S226 PolarHBondContact O-N 2.89Å; F223-S226 VanDerWaalsContact O-N 3.13Å; S226-T228 PolarHBondContact O-N 3.39Å; S226-T228 VanDerWaalsContact O-N 3.11Å; S226-R229 PolarHBondContact O-N 3.16Å; S226-Y233 VanDerWaalsContact CA-O 3.32Å; S226-Y233 WeakPolarHBondContact CA-O 3.3Å; S226-Y233 WeakPolarHBondContact CB-O 3.44Å; S226-Y233 PolarHBondContact OG-O 3.21Å; S226-T234 PolarHBondContact OG-O 2.86Å; S226-W239 PolarHBondContact OG-NE1 2.96Å; S226-W239 VanDerWaalsContact OG-NE1 3.14Å; S226-R270 PolarHBondContact O-NH1 3.41Å; S226-R270 PolarHBondContact OG-NH1 3.32Å
227	R	98.6	Very high	98.6	Very high	71 Å²	71	51.3 Å²	51.3	27%	0.268	26%	0.261	S	S	.	.	H	α-helix	trans	-62.9	-22.3	-178.5	72.2	-180	-175.3	155.5	-0.4	113.7	F223 Q224 W239 D267 V269 R270	F223-R227 PolarHBondContact O-N 3.21Å; Q224-R227 WeakPolarHBondContact O-CG 3.5Å; R227-W239 HydrophobicContact CB-CH2 4.06Å; R227-W239 HydrophobicContact CB-CZ2 4.01Å; R227-D267 IonicContact NH1-OD2 3.18Å; R227-V269 HydrophobicContact CG-CG1 4.46Å; R227-R270 HydrophobicContact CB-CB 4.38Å; R227-R270 VanDerWaalsContact O-CB 3.32Å; R227-R270 WeakPolarHBondContact O-CB 3.48Å
228	T	98.7	Very high	98.6	Very high	73 Å²	73	52.4 Å²	52.4	45%	0.448	27%	0.266	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.3	2.2	174.3	55.5	0	0	0	0	114	Q224 L225 S226 T230 V269	Q224-T228 PolarHBondContact O-OG1 3.39Å; Q224-T228 VanDerWaalsContact O-OG1 3.08Å; L225-T228 PolarHBondContact O-OG1 2.9Å; S226-T228 PolarHBondContact O-N 3.39Å; S226-T228 VanDerWaalsContact O-N 3.11Å; T228-T230 VanDerWaalsContact C-N 3.29Å; T228-T230 PolarHBondContact O-N 3.44Å; T228-T230 PolarHBondContact OG1-OG1 3.24Å; T228-V269 HydrophobicContact CG2-CG1 4.05Å
229	R	98.6	Very high	98.6	Very high	126 Å²	126	51.6 Å²	51.6	48%	0.475	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	58.1	38.2	-177.9	-51.3	177.4	-174.4	-104.4	-2.9	112.8	L225 S226 G231 T234 R270	L225-R229 PolarHBondContact O-N 3.15Å; S226-R229 PolarHBondContact O-N 3.16Å; R229-G231 PolarHBondContact O-N 2.96Å; R229-T234 WeakPolarHBondContact CA-OG1 3.39Å; R229-T234 HydrophobicContact CB-CG2 4.18Å; R229-T234 HydrophobicContact CG-CG2 4.29Å; R229-T234 PolarHBondContact O-OG1 2.85Å; R229-R270 PolarHBondContact NH2-O 3.36Å
230	T	98.7	Very high	98.7	Very high	66 Å²	66	49.2 Å²	49.2	41%	0.405	25%	0.251	S	S	.	.			trans	-83.7	105.9	-177.2	-59.3	0	0	0	0	111	L225 T228 Y233	L225-T230 HydrophobicContact CD2-CG2 3.95Å; L225-T230 WeakPolarHBondContact O-CB 3.42Å; L225-T230 PolarHBondContact O-N 2.73Å; T228-T230 VanDerWaalsContact C-N 3.29Å; T228-T230 PolarHBondContact O-N 3.44Å; T228-T230 PolarHBondContact OG1-OG1 3.24Å; T230-Y233 WeakPolarHBondContact O-CD2 3.47Å; T230-Y233 PolarHBondContact O-N 3.14Å
231	G	97.9	Very high	98.6	Very high	60 Å²	60	54.7 Å²	54.7	62%	0.619	28%	0.281	S	S	*	.	G	3₁₀ helix	trans	59.7	-139.6	172	0	0	0	0	0	113.9	R229 Y233 T234	R229-G231 PolarHBondContact O-N 2.96Å; G231-Y233 PolarHBondContact O-N 3.15Å; G231-T234 PolarHBondContact O-N 3.3Å; G231-T234 PolarHBondContact O-OG1 3.2Å
232	K	98.1	Very high	98.6	Very high	101 Å²	101	51.1 Å²	51.1	44%	0.439	26%	0.264	S	S	.	.	G	3₁₀ helix	trans	-63.3	-20.6	-178.6	67.8	170.9	-173.9	159.4	0	114.1	T234 Y236 E295	K232-T234 PolarHBondContact O-N 2.72Å; K232-Y236 HydrophobicContact CD-CE2 4.33Å; K232-Y236 WeakPolarHBondContact CE-OH 3.26Å; K232-Y236 HydrophobicContact CG-CE2 4.17Å; K232-Y236 PolarHBondContact NZ-OH 3.48Å; K232-Y236 WeakPolarHBondContact O-CD2 3.02Å; K232-E295 IonicContact NZ-OE1 2.62Å; K232-E295 PolarHBondContact NZ-OE1 2.95Å
233	Y	98.7	Very high	98.4	Very high	52 Å²	52	53.6 Å²	53.6	20%	0.204	28%	0.282	C	S	.	.	G	3₁₀ helix	trans	-71.4	-11	-177.6	-57.9	-72.8	0	0	0	113.7	W222 L225 S226 T230 G231 D235 Y236	W222-Y233 HydrophobicContact CB-CD1 4.15Å; W222-Y233 AromaticContact CD1-CD1 3.82Å; W222-Y233 AromaticContact CD1-CE1 3.32Å; W222-Y233 HydrophobicContact CG-CD1 4.11Å; W222-Y233 HydrophobicContact CG-CE1 4.01Å; W222-Y233 AromaticContact NE1-CE1 3.81Å; L225-Y233 HydrophobicContact CB-CD2 3.71Å; L225-Y233 HydrophobicContact CB-CG 3.81Å; L225-Y233 HydrophobicContact CD1-CD2 3.49Å; L225-Y233 VanDerWaalsContact CD1-CD2 3.49Å; L225-Y233 HydrophobicContact CD1-CE2 3.43Å; L225-Y233 VanDerWaalsContact CD1-CE2 3.43Å; L225-Y233 HydrophobicContact CD1-CG 4.12Å; L225-Y233 HydrophobicContact CG-CD2 4.22Å; S226-Y233 VanDerWaalsContact CA-O 3.32Å; S226-Y233 WeakPolarHBondContact CA-O 3.3Å; S226-Y233 WeakPolarHBondContact CB-O 3.44Å; S226-Y233 PolarHBondContact OG-O 3.21Å; T230-Y233 WeakPolarHBondContact O-CD2 3.47Å; T230-Y233 PolarHBondContact O-N 3.14Å; G231-Y233 PolarHBondContact O-N 3.15Å; Y233-D235 PolarHBondContact O-N 2.77Å; Y233-D235 VanDerWaalsContact O-N 3.15Å; Y233-Y236 AromaticContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD2 4.12Å; Y233-Y236 AromaticContact CD1-CE1 3.59Å; Y233-Y236 HydrophobicContact CD1-CE1 3.59Å; Y233-Y236 HydrophobicContact CD1-CE2 4.03Å; Y233-Y236 AromaticContact CD1-CG 3.94Å; Y233-Y236 HydrophobicContact CD1-CG 3.94Å; Y233-Y236 AromaticContact CD1-CZ 3.77Å; Y233-Y236 HydrophobicContact CE1-CD1 4.2Å; Y233-Y236 AromaticContact CE1-CE1 3.66Å; Y233-Y236 HydrophobicContact CE1-CE1 3.66Å; Y233-Y236 HydrophobicContact CE1-CE2 4.45Å; Y233-Y236 AromaticContact CE1-CZ 3.8Å; Y233-Y236 WeakPolarHBondContact O-CB 3.49Å; Y233-Y236 PolarHBondContact O-N 2.94Å; Y233-Y236 VanDerWaalsContact O-N 3.14Å
234	T	98.8	Very high	98.2	Very high	29 Å²	29	56.5 Å²	56.5	18%	0.178	30%	0.295	C	S	.	.	G	3₁₀ helix	trans	-52.3	-38.4	179.8	-55.3	0	0	0	0	112.5	S226 R229 G231 K232 R270	S226-T234 PolarHBondContact OG-O 2.86Å; R229-T234 WeakPolarHBondContact CA-OG1 3.39Å; R229-T234 HydrophobicContact CB-CG2 4.18Å; R229-T234 HydrophobicContact CG-CG2 4.29Å; R229-T234 PolarHBondContact O-OG1 2.85Å; G231-T234 PolarHBondContact O-N 3.3Å; G231-T234 PolarHBondContact O-OG1 3.2Å; K232-T234 PolarHBondContact O-N 2.72Å; T234-R270 PolarHBondContact O-NH1 3.19Å; T234-R270 PolarHBondContact O-NH2 3.08Å
235	D	98.5	Very high	98	Very high	95 Å²	95	60.1 Å²	60.1	51%	0.508	31%	0.312	S	S	.	.	G	3₁₀ helix	trans	-111.6	21.5	-176.8	-56.5	-44.2	0	0	0	113	Y233 Y237 N286 N289	Y233-D235 PolarHBondContact O-N 2.77Å; Y233-D235 VanDerWaalsContact O-N 3.15Å; D235-Y237 VanDerWaalsContact C-N 3.29Å; D235-N286 WeakPolarHBondContact O-CB 3.28Å; D235-N286 PolarHBondContact O-ND2 3.11Å; D235-N286 VanDerWaalsContact O-ND2 3.08Å; D235-N289 PolarHBondContact O-ND2 2.64Å; D235-N289 VanDerWaalsContact O-ND2 3.08Å
236	Y	98.8	Very high	97.6	Very high	0 Å²	0	66.2 Å²	66.2	0%	0	35%	0.345	C	S	.	.	S	Bend	trans	-72.7	-22.3	175	-93.4	-133.2	0	0	0	113.1	W222 K232 Y233 L285 N286 D291 V292 E295	W222-Y236 HydrophobicContact CB-CD1 3.99Å; W222-Y236 AromaticContact CD2-CD1 3.89Å; W222-Y236 HydrophobicContact CD2-CD1 3.89Å; W222-Y236 AromaticContact CD2-CE1 3.88Å; W222-Y236 HydrophobicContact CD2-CE1 3.88Å; W222-Y236 HydrophobicContact CE3-CD1 4.05Å; W222-Y236 HydrophobicContact CE3-CE1 4.26Å; W222-Y236 AromaticContact CG-CD1 3.9Å; W222-Y236 HydrophobicContact CG-CD1 3.9Å; W222-Y236 HydrophobicContact CG-CE1 4.06Å; K232-Y236 HydrophobicContact CD-CE2 4.33Å; K232-Y236 WeakPolarHBondContact CE-OH 3.26Å; K232-Y236 HydrophobicContact CG-CE2 4.17Å; K232-Y236 PolarHBondContact NZ-OH 3.48Å; K232-Y236 WeakPolarHBondContact O-CD2 3.02Å; Y233-Y236 AromaticContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD1 3.68Å; Y233-Y236 HydrophobicContact CD1-CD2 4.12Å; Y233-Y236 AromaticContact CD1-CE1 3.59Å; Y233-Y236 HydrophobicContact CD1-CE1 3.59Å; Y233-Y236 HydrophobicContact CD1-CE2 4.03Å; Y233-Y236 AromaticContact CD1-CG 3.94Å; Y233-Y236 HydrophobicContact CD1-CG 3.94Å; Y233-Y236 AromaticContact CD1-CZ 3.77Å; Y233-Y236 HydrophobicContact CE1-CD1 4.2Å; Y233-Y236 AromaticContact CE1-CE1 3.66Å; Y233-Y236 HydrophobicContact CE1-CE1 3.66Å; Y233-Y236 HydrophobicContact CE1-CE2 4.45Å; Y233-Y236 AromaticContact CE1-CZ 3.8Å; Y233-Y236 WeakPolarHBondContact O-CB 3.49Å; Y233-Y236 PolarHBondContact O-N 2.94Å; Y233-Y236 VanDerWaalsContact O-N 3.14Å; Y236-L285 WeakPolarHBondContact O-CA 3.4Å; Y236-N286 PolarHBondContact O-N 3.04Å; Y236-D291 HydrophobicContact CE2-CB 3.84Å; Y236-V292 HydrophobicContact CD1-CG2 4.13Å; Y236-V292 HydrophobicContact CD2-CG2 4.04Å; Y236-V292 HydrophobicContact CE2-CG2 4.48Å; Y236-V292 HydrophobicContact CG-CG2 3.87Å; Y236-E295 HydrophobicContact CE1-CG 3.98Å; Y236-E295 VanDerWaalsContact OH-CG 3.29Å; Y236-E295 WeakPolarHBondContact OH-CG 3.13Å; Y236-E295 PolarHBondContact OH-OE1 2.65Å
237	Y	98.9	Very high	97.2	Very high	3 Å²	3	69.5 Å²	69.5	1%	0.012	38%	0.378	C	S	.	.	B	Isolated β-bridge	trans	-126.3	164.8	177.9	-58.8	-96.6	0	0	0	109.5	T216 W222 F223 D235 W239 P283 D284 L285	T216-Y237 HydrophobicContact CG2-CE1 4.42Å; T216-Y237 WeakPolarHBondContact OG1-CE1 3.44Å; T216-Y237 PolarHBondContact OG1-OH 2.92Å; W222-Y237 HydrophobicContact CB-CE2 3.93Å; W222-Y237 WeakPolarHBondContact CB-OH 3.5Å; F223-Y237 HydrophobicContact CB-CE1 4.28Å; F223-Y237 HydrophobicContact CB-CE2 3.85Å; F223-Y237 AromaticContact CD2-CD1 3.88Å; F223-Y237 HydrophobicContact CD2-CD1 3.88Å; F223-Y237 AromaticContact CD2-CD2 3.96Å; F223-Y237 HydrophobicContact CD2-CD2 3.96Å; F223-Y237 AromaticContact CD2-CE1 3.9Å; F223-Y237 HydrophobicContact CD2-CE1 3.9Å; F223-Y237 HydrophobicContact CD2-CE2 4.02Å; F223-Y237 AromaticContact CD2-CG 3.9Å; F223-Y237 HydrophobicContact CD2-CG 3.9Å; F223-Y237 AromaticContact CD2-CZ 3.97Å; F223-Y237 HydrophobicContact CE2-CG 4.49Å; F223-Y237 HydrophobicContact CG-CE2 4.44Å; F223-Y237 PolarHBondContact N-OH 2.92Å; D235-Y237 VanDerWaalsContact C-N 3.29Å; Y237-W239 VanDerWaalsContact O-CD1 3.3Å; Y237-W239 PolarHBondContact O-N 3.43Å; Y237-P283 HydrophobicContact CD1-CB 3.69Å; Y237-P283 HydrophobicContact CD1-CG 4.06Å; Y237-P283 HydrophobicContact CE1-CB 3.95Å; Y237-P283 HydrophobicContact CE1-CG 3.78Å; Y237-P283 WeakPolarHBondContact CE1-O 3.29Å; Y237-D284 VanDerWaalsContact CD1-O 3.27Å; Y237-D284 WeakPolarHBondContact CD1-O 3.09Å; Y237-L285 HydrophobicContact CD1-CD2 4.36Å; Y237-L285 HydrophobicContact CE1-CD2 3.89Å; Y237-L285 HydrophobicContact CE1-CG 4.48Å; Y237-L285 HydrophobicContact CE2-CD2 4.46Å
238	I	98.9	Very high	96.9	Very high	25 Å²	25	73.3 Å²	73.3	13%	0.128	40%	0.397	C	S	.	.			trans	-87.9	111.1	-178.1	-57.9	169.6	0	0	0	109	W264 Y274 F275 N286 E321	I238-W264 HydrophobicContact CG2-CH2 3.96Å; I238-W264 HydrophobicContact CG2-CZ3 4.32Å; I238-Y274 VanDerWaalsContact O-CA 3.25Å; I238-Y274 WeakPolarHBondContact O-CA 3.38Å; I238-F275 HydrophobicContact CB-CB 3.97Å; I238-F275 HydrophobicContact CD1-CD1 4.08Å; I238-F275 HydrophobicContact CG2-CB 4.04Å; I238-F275 PolarHBondContact O-N 2.79Å; I238-F275 VanDerWaalsContact O-N 3.11Å; I238-N286 HydrophobicContact CG1-CB 3.99Å; I238-E321 VanDerWaalsContact CD1-OE2 3.28Å; I238-E321 WeakPolarHBondContact CD1-OE2 3.14Å
239	W	98.9	Very high	96.8	Very high	21 Å²	21	71.8 Å²	71.8	8%	0.08	39%	0.387	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	135.2	-178.4	-68.3	95.1	0	0	0	111.4	F223 S226 R227 Y237 D267 R270 Q272 C273 Y274	F223-W239 HydrophobicContact CD2-CZ2 4.36Å; F223-W239 HydrophobicContact CE2-CH2 4.01Å; F223-W239 AromaticContact CE2-CZ2 3.6Å; F223-W239 HydrophobicContact CE2-CZ2 3.6Å; F223-W239 AromaticContact CZ-CH2 3.83Å; F223-W239 HydrophobicContact CZ-CH2 3.83Å; F223-W239 AromaticContact CZ-CZ2 3.87Å; F223-W239 HydrophobicContact CZ-CZ2 3.87Å; S226-W239 PolarHBondContact OG-NE1 2.96Å; S226-W239 VanDerWaalsContact OG-NE1 3.14Å; R227-W239 HydrophobicContact CB-CH2 4.06Å; R227-W239 HydrophobicContact CB-CZ2 4.01Å; Y237-W239 VanDerWaalsContact O-CD1 3.3Å; Y237-W239 PolarHBondContact O-N 3.43Å; W239-D267 HydrophobicContact CH2-CB 3.65Å; W239-D267 HydrophobicContact CZ3-CB 3.61Å; W239-R270 VanDerWaalsContact CD1-NH2 3.3Å; W239-R270 VanDerWaalsContact CD2-CD 3.49Å; W239-R270 HydrophobicContact CD2-CG 4.36Å; W239-R270 HydrophobicContact CE3-CB 4.3Å; W239-R270 HydrophobicContact CE3-CG 4.06Å; W239-R270 HydrophobicContact CH2-CB 4.07Å; W239-R270 HydrophobicContact CH2-CG 4.49Å; W239-R270 HydrophobicContact CZ3-CB 3.86Å; W239-R270 HydrophobicContact CZ3-CG 4.14Å; W239-Q272 HydrophobicContact CE3-CB 3.87Å; W239-Q272 HydrophobicContact CZ3-CB 4.46Å; W239-C273 CarbonylContact C-O 3.57Å; W239-C273 WeakPolarHBondContact CA-O 3.2Å; W239-Y274 AromaticContact CH2-CD1 3.78Å; W239-Y274 HydrophobicContact CH2-CD1 3.78Å; W239-Y274 HydrophobicContact CH2-CG 4.2Å; W239-Y274 AromaticContact CZ3-CD1 3.79Å; W239-Y274 HydrophobicContact CZ3-CD1 3.79Å; W239-Y274 HydrophobicContact CZ3-CG 4.22Å
240	H	98.7	Very high	96.7	Very high	70 Å²	70	71 Å²	71	32%	0.324	39%	0.391	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	152.1	175.4	-81	-80.7	0	0	0	112.1	P252 W264 Q272 C273 L325	H240-P252 HydrophobicContact CB-CG 3.88Å; H240-W264 HydrophobicContact CB-CH2 4.2Å; H240-W264 HydrophobicContact CB-CZ3 3.94Å; H240-W264 AromaticContact CD2-CH2 3.53Å; H240-W264 AromaticContact CD2-CZ3 3.89Å; H240-Q272 WeakPolarHBondContact O-CB 3.5Å; H240-C273 PolarHBondContact N-O 2.96Å; H240-C273 PolarHBondContact O-N 3.34Å; H240-L325 VanDerWaalsContact CE1-CD1 3.41Å; H240-L325 WeakPolarHBondContact CE1-CD1 3.29Å
241	D	98.3	Very high	96.7	Very high	124 Å²	124	69.9 Å²	69.9	66%	0.663	39%	0.386	S	S	*	.			trans	-66.8	141.8	173	-62.1	-32.1	0	0	0	110.2	Q272	D241-Q272 PolarHBondContact OD1-NE2 3.4Å
242	C	96.6	Very high	96.7	Very high	27 Å²	27	69.2 Å²	69.2	18%	0.182	37%	0.371	C	S	.	.			trans	-148.1	159.9	176.8	58.4	0	0	0	0	109.3	T249 I250 C273	C242-T249 HydrophobicContact CB-CG2 4.28Å; C242-I250 WeakPolarHBondContact CB-O 3.46Å; C242-C273 HydrophobicContact CB-CB 3.83Å; C242-C273 WeakPolarHBondContact CB-SG 3.36Å; C242-C273 WeakPolarHBondContact SG-CB 3.37Å; C242-C273 PolarHBondContact SG-N 3.44Å; C242-C273 CovalentContact SG-SG 2.04Å; C242-C273 PolarHBondContact SG-SG 3.43Å
243	T	96.1	Very high	96.7	Very high	72 Å²	72	64.8 Å²	64.8	44%	0.442	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	112	177.8	-53.9	0	0	0	0	108.9	E245 I250	T243-E245 HydrophobicContact CG2-CG 4.13Å; T243-I250 PolarHBondContact N-O 3.07Å; T243-I250 PolarHBondContact O-N 2.95Å
244	H	94.7	Very high	96.7	Very high	66 Å²	66	64.3 Å²	64.3	31%	0.306	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-113.6	108.2	174.9	177.8	-116.4	0	0	0	109.8	K248 T249 F266	H244-K248 WeakPolarHBondContact CA-O 3.38Å; H244-T249 PolarHBondContact CD2-OG1 3.29Å; H244-F266 HydrophobicContact CB-CB 4.47Å; H244-F266 HydrophobicContact CB-CD1 4Å; H244-F266 HydrophobicContact CB-CD2 3.66Å; H244-F266 HydrophobicContact CB-CE1 4.09Å; H244-F266 HydrophobicContact CB-CE2 3.76Å; H244-F266 HydrophobicContact CB-CG 3.77Å; H244-F266 HydrophobicContact CB-CZ 3.96Å; H244-F266 AromaticContact CE1-CD1 3.79Å; H244-F266 AromaticContact CE1-CE1 3.93Å; H244-F266 AromaticContact CG-CD1 3.59Å; H244-F266 AromaticContact CG-CE1 3.8Å; H244-F266 AromaticContact CG-CG 3.79Å; H244-F266 AromaticContact ND1-CD1 3.3Å; H244-F266 VanDerWaalsContact ND1-CD1 3.3Å; H244-F266 WeakPolarHBondContact ND1-CD1 3.46Å; H244-F266 AromaticContact ND1-CE1 3.19Å; H244-F266 WeakPolarHBondContact ND1-CE1 3.45Å; H244-F266 AromaticContact ND1-CG 3.99Å; H244-F266 AromaticContact ND1-CZ 3.81Å
245	E	93.6	Very high	96.7	Very high	137 Å²	137	63 Å²	63	64%	0.64	34%	0.344	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-137.3	142.4	180	-68.1	-174.4	177.2	0	0	110.1	T243 G247 K248	T243-E245 HydrophobicContact CG2-CG 4.13Å; E245-G247 PolarHBondContact O-N 3.14Å; E245-G247 VanDerWaalsContact O-N 3.12Å; E245-K248 PolarHBondContact N-O 3.08Å; E245-K248 VanDerWaalsContact N-O 3.08Å; E245-K248 PolarHBondContact O-N 3.33Å
246	N	91.3	Very high	96.7	Very high	173 Å²	173	59.1 Å²	59.1	93%	0.925	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	52.6	33.2	178.3	-57.3	-28.1	0	0	0	114.4	K248	N246-K248 VanDerWaalsContact C-N 3.28Å; N246-K248 PolarHBondContact O-N 3.08Å
247	G	89.6	Confident	96.6	Very high	68 Å²	68	59.2 Å²	59.2	70%	0.701	32%	0.324	S	S	*	.	T	Hydrogen-bonded Turn	trans	74.9	11.7	-179.7	0	0	0	0	0	114.7	E245	E245-G247 PolarHBondContact O-N 3.14Å; E245-G247 VanDerWaalsContact O-N 3.12Å
248	K	92.8	Very high	96.5	Very high	152 Å²	152	61.1 Å²	61.1	66%	0.661	34%	0.336	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-118.3	131.6	174.3	-172.8	175.9	179	-178.1	0	110.2	H244 E245 N246	H244-K248 WeakPolarHBondContact CA-O 3.38Å; E245-K248 PolarHBondContact N-O 3.08Å; E245-K248 VanDerWaalsContact N-O 3.08Å; E245-K248 PolarHBondContact O-N 3.33Å; N246-K248 VanDerWaalsContact C-N 3.28Å; N246-K248 PolarHBondContact O-N 3.08Å
249	T	96.6	Very high	96.3	Very high	40 Å²	40	63.6 Å²	63.6	25%	0.245	34%	0.344	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.1	130.8	175.3	-55.6	0	0	0	0	109.8	C242 H244 P251 F266 C273	C242-T249 HydrophobicContact CB-CG2 4.28Å; H244-T249 PolarHBondContact CD2-OG1 3.29Å; T249-P251 WeakPolarHBondContact O-CD 3.41Å; T249-F266 HydrophobicContact CG2-CB 4.27Å; T249-C273 WeakPolarHBondContact CG2-SG 3.32Å
250	I	96.9	Very high	96	Very high	109 Å²	109	63.1 Å²	63.1	56%	0.559	35%	0.346	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-93.3	106.7	164	-58.5	174.3	0	0	0	106.3	C242 T243	C242-I250 WeakPolarHBondContact CB-O 3.46Å; T243-I250 PolarHBondContact N-O 3.07Å; T243-I250 PolarHBondContact O-N 2.95Å
251	P	97.6	Very high	95.9	Very high	44 Å²	44	65 Å²	65	29%	0.286	36%	0.359	S	S	.	.			trans	-71.3	163.2	-175.9	31.4	-36.4	0	0	0	111.6	T249 N253 W264	T249-P251 WeakPolarHBondContact O-CD 3.41Å; P251-N253 WeakPolarHBondContact CG-O 3.24Å; P251-N253 PolarHBondContact O-N 3.26Å; P251-W264 HydrophobicContact CB-CB 3.93Å; P251-W264 HydrophobicContact CB-CG 4.19Å
252	P	97.8	Very high	95.9	Very high	46 Å²	46	61 Å²	61	30%	0.299	34%	0.34	S	S	.	.	S	Bend	trans	-60.7	-28.9	177.8	-24.2	34.5	0	0	0	114.9	H240 W264	H240-P252 HydrophobicContact CB-CG 3.88Å; P252-W264 HydrophobicContact CB-CZ2 4.47Å; P252-W264 HydrophobicContact CG-CD2 3.83Å; P252-W264 HydrophobicContact CG-CE3 4Å; P252-W264 HydrophobicContact CG-CG 4.29Å; P252-W264 HydrophobicContact CG-CH2 4.46Å; P252-W264 HydrophobicContact CG-CZ2 4.3Å; P252-W264 HydrophobicContact CG-CZ3 4.31Å
253	N	98.5	Very high	95.9	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.043	33%	0.332	C	S	.	.	S	Bend	trans	-157.3	-179.7	-179.6	59.6	27.9	0	0	0	110.9	P251 W255 W264 L325 D327	P251-N253 WeakPolarHBondContact CG-O 3.24Å; P251-N253 PolarHBondContact O-N 3.26Å; N253-W255 VanDerWaalsContact C-N 3.29Å; N253-W255 PolarHBondContact O-N 3.06Å; N253-W255 WeakPolarHBondContact OD1-CB 3.39Å; N253-W255 PolarHBondContact OD1-N 2.83Å; N253-W264 PolarHBondContact OD1-NE1 2.96Å; N253-L325 PolarHBondContact ND2-O 3.34Å; N253-D327 WeakPolarHBondContact CA-OD1 3.42Å; N253-D327 VanDerWaalsContact CB-OD1 3.28Å; N253-D327 WeakPolarHBondContact CB-OD1 3.37Å
254	N	98.3	Very high	96.1	Very high	41 Å²	41	56.8 Å²	56.8	22%	0.219	31%	0.312	C	S	.	.			trans	-82.8	13.8	-177.6	78.2	-18	0	0	0	115.8	D327 E328 L346	N254-D327 HydrophobicContact CB-CB 4.41Å; N254-D327 PolarHBondContact N-OD1 3.24Å; N254-D327 WeakPolarHBondContact OD1-CA 3.14Å; N254-D327 WeakPolarHBondContact OD1-CB 3.48Å; N254-E328 PolarHBondContact ND2-O 2.94Å; N254-E328 PolarHBondContact OD1-N 2.81Å; N254-L346 WeakPolarHBondContact O-CD1 3.08Å
255	W	98.8	Very high	96.2	Very high	3 Å²	3	56.9 Å²	56.9	1%	0.011	31%	0.313	C	S	.	.			trans	-64.5	143	-175.5	-63.6	-4.9	0	0	0	111.9	N253 S263 W264 F275 E321 A322 L325 R326 F350 T351	N253-W255 VanDerWaalsContact C-N 3.29Å; N253-W255 PolarHBondContact O-N 3.06Å; N253-W255 WeakPolarHBondContact OD1-CB 3.39Å; N253-W255 PolarHBondContact OD1-N 2.83Å; W255-S263 WeakPolarHBondContact CB-OG 3.47Å; W255-S263 PolarHBondContact O-N 3.06Å; W255-S263 VanDerWaalsContact O-N 3.12Å; W255-S263 PolarHBondContact O-OG 3.27Å; W255-S263 VanDerWaalsContact O-OG 3.11Å; W255-W264 HydrophobicContact CE3-CZ2 4.1Å; W255-W264 HydrophobicContact CZ3-CZ2 4.16Å; W255-F275 HydrophobicContact CE3-CD2 4.05Å; W255-F275 AromaticContact CE3-CE2 3.54Å; W255-F275 HydrophobicContact CE3-CE2 3.54Å; W255-F275 HydrophobicContact CE3-CZ 4.21Å; W255-F275 HydrophobicContact CZ3-CD2 4.44Å; W255-F275 HydrophobicContact CZ3-CE2 4.1Å; W255-F275 HydrophobicContact CZ3-CZ 4.5Å; W255-E321 HydrophobicContact CH2-CB 3.77Å; W255-E321 HydrophobicContact CZ3-CB 3.79Å; W255-E321 HydrophobicContact CZ3-CG 4.11Å; W255-A322 WeakPolarHBondContact CH2-O 3.31Å; W255-L325 HydrophobicContact CH2-CD2 3.58Å; W255-L325 HydrophobicContact CZ2-CD2 4.34Å; W255-L325 HydrophobicContact CZ3-CD2 3.79Å; W255-R326 PolarHBondContact NE1-O 3.01Å; W255-F350 HydrophobicContact CZ2-CB 3.93Å; W255-T351 HydrophobicContact CB-CG2 4.46Å; W255-T351 HydrophobicContact CD2-CG2 3.5Å; W255-T351 HydrophobicContact CE3-CG2 3.73Å; W255-T351 HydrophobicContact CG-CG2 3.88Å; W255-T351 HydrophobicContact CH2-CG2 4.35Å; W255-T351 HydrophobicContact CZ2-CG2 4.2Å; W255-T351 HydrophobicContact CZ3-CG2 4.14Å
256	L	98.6	Very high	96.5	Very high	12 Å²	12	51.5 Å²	51.5	6%	0.063	29%	0.287	C	S	.	.	B	Isolated β-bridge	trans	-116.5	145.7	-177.8	-64.1	178.3	0	0	0	111.4	N261 V340 Q342 L346	L256-N261 CarbonylContact C-O 3.38Å; L256-N261 VanDerWaalsContact CA-O 3.23Å; L256-N261 WeakPolarHBondContact CA-O 3.42Å; L256-N261 VanDerWaalsContact CD2-O 3.25Å; L256-N261 WeakPolarHBondContact CD2-O 3.27Å; L256-V340 HydrophobicContact CD1-CG1 4.11Å; L256-Q342 VanDerWaalsContact CD1-O 3.27Å; L256-Q342 WeakPolarHBondContact CD1-O 3.39Å; L256-L346 HydrophobicContact CB-CD1 4.26Å; L256-L346 HydrophobicContact CD1-CD1 3.71Å; L256-L346 HydrophobicContact CD1-CG 4.13Å; L256-L346 HydrophobicContact CG-CD1 3.68Å
257	S	98.1	Very high	96.8	Very high	3 Å²	3	44 Å²	44	2%	0.021	25%	0.247	C	C	.	.			trans	-68.9	149.8	168.1	161.9	0	0	0	0	110.7	Y259 G260 N261 Q277 F278 Y343	S257-Y259 PolarHBondContact O-N 3.04Å; S257-Y259 PolarHBondContact OG-N 3.14Å; S257-Y259 VanDerWaalsContact OG-N 3.14Å; S257-G260 WeakPolarHBondContact O-CA 3.5Å; S257-G260 PolarHBondContact O-N 2.94Å; S257-N261 PolarHBondContact N-O 2.87Å; S257-Q277 CarbonylContact C-O 3.59Å; S257-Q277 WeakPolarHBondContact CA-O 3.27Å; S257-Q277 PolarHBondContact OG-O 3.43Å; S257-F278 WeakPolarHBondContact CB-O 3.31Å; S257-F278 PolarHBondContact OG-O 3.41Å; S257-Y343 WeakPolarHBondContact O-CD2 3.17Å
258	V	96.1	Very high	97.2	Very high	42 Å²	42	48.4 Å²	48.4	26%	0.255	25%	0.25	S	C	.	.	T	Hydrogen-bonded Turn	trans	-53.5	-34.2	172.8	173.6	0	0	0	0	111.9	G260 Q277 F278 F318 Y343	V258-G260 VanDerWaalsContact C-N 3.32Å; V258-Q277 PolarHBondContact N-O 3.35Å; V258-F278 HydrophobicContact CB-CD1 4.08Å; V258-F278 HydrophobicContact CB-CE1 4.32Å; V258-F278 HydrophobicContact CG1-CD1 4.48Å; V258-F278 HydrophobicContact CG1-CE1 4.5Å; V258-F278 HydrophobicContact CG2-CD1 4.15Å; V258-F278 HydrophobicContact CG2-CE1 4Å; V258-F318 HydrophobicContact CG2-CE1 4.02Å; V258-F318 HydrophobicContact CG2-CZ 3.92Å; V258-Y343 HydrophobicContact CG2-CD2 4.37Å; V258-Y343 HydrophobicContact CG2-CE1 4.4Å; V258-Y343 HydrophobicContact CG2-CE2 3.87Å
259	Y	93.8	Very high	97.5	Very high	77 Å²	77	45.1 Å²	45.1	30%	0.302	24%	0.242	S	C	.	.	T	Hydrogen-bonded Turn	trans	-90.8	5.1	178.8	-61.3	-64.1	0	0	0	113.5	F173 S257 F278 M279	F173-Y259 VanDerWaalsContact CA-OH 3.29Å; F173-Y259 WeakPolarHBondContact CA-OH 3.44Å; F173-Y259 HydrophobicContact CB-CE2 3.74Å; F173-Y259 HydrophobicContact CD1-CD1 4.1Å; F173-Y259 HydrophobicContact CD1-CD2 4.29Å; F173-Y259 AromaticContact CD1-CE1 3.71Å; F173-Y259 HydrophobicContact CD1-CE1 3.71Å; F173-Y259 AromaticContact CD1-CE2 3.91Å; F173-Y259 HydrophobicContact CD1-CE2 3.91Å; F173-Y259 HydrophobicContact CD1-CG 4.38Å; F173-Y259 AromaticContact CD1-CZ 3.62Å; F173-Y259 HydrophobicContact CE1-CE1 4.4Å; F173-Y259 HydrophobicContact CG-CE2 4.3Å; S257-Y259 PolarHBondContact O-N 3.04Å; S257-Y259 PolarHBondContact OG-N 3.14Å; S257-Y259 VanDerWaalsContact OG-N 3.14Å; Y259-F278 HydrophobicContact CD2-CB 4.22Å; Y259-F278 HydrophobicContact CD2-CD1 4.5Å; Y259-F278 HydrophobicContact CE2-CB 3.94Å; Y259-F278 AromaticContact CE2-CD1 3.85Å; Y259-F278 HydrophobicContact CE2-CD1 3.85Å; Y259-F278 HydrophobicContact CE2-CG 4.34Å; Y259-M279 HydrophobicContact CD1-CE 4.23Å; Y259-M279 HydrophobicContact CD2-CE 3.55Å; Y259-M279 HydrophobicContact CD2-CG 4.09Å; Y259-M279 HydrophobicContact CD2-SD 3.89Å; Y259-M279 HydrophobicContact CE2-CE 4.26Å; Y259-M279 HydrophobicContact CG-CE 3.53Å; Y259-M279 HydrophobicContact CG-SD 4.21Å
260	G	92.6	Very high	97.6	Very high	12 Å²	12	44 Å²	44	12%	0.124	23%	0.233	C	C	.	.	S	Bend	trans	94.9	164.2	177.4	0	0	0	0	0	114.1	S257 V258 T341	S257-G260 WeakPolarHBondContact O-CA 3.5Å; S257-G260 PolarHBondContact O-N 2.94Å; V258-G260 VanDerWaalsContact C-N 3.32Å; G260-T341 WeakPolarHBondContact CA-O 3.39Å
261	N	96.5	Very high	97.6	Very high	110 Å²	110	44.2 Å²	44.2	59%	0.588	24%	0.236	S	C	*	.	S	Bend	trans	65.4	-178.7	-166.9	-54.5	-69.4	0	0	0	113.5	L256 S257 T341	L256-N261 CarbonylContact C-O 3.38Å; L256-N261 VanDerWaalsContact CA-O 3.23Å; L256-N261 WeakPolarHBondContact CA-O 3.42Å; L256-N261 VanDerWaalsContact CD2-O 3.25Å; L256-N261 WeakPolarHBondContact CD2-O 3.27Å; S257-N261 PolarHBondContact N-O 2.87Å; N261-T341 PolarHBondContact N-O 3.32Å
262	S	98.1	Very high	97.7	Very high	39 Å²	39	43 Å²	43	27%	0.273	23%	0.226	S	C	.	.	B	Isolated β-bridge	trans	-60.3	142.7	-177.6	-171.2	0	0	0	0	111.9	W264 H276	S262-W264 PolarHBondContact O-N 2.72Å; S262-W264 PolarHBondContact OG-N 3.28Å; S262-H276 PolarHBondContact O-CE1 3.4Å; S262-H276 VanDerWaalsContact O-CE1 3.32Å
263	S	98.5	Very high	97.7	Very high	0 Å²	0	40.8 Å²	40.8	0%	0	21%	0.212	C	C	.	.	S	Bend	trans	-84.6	11.1	170	51.4	0	0	0	0	113.6	W255 F275 H276	W255-S263 WeakPolarHBondContact CB-OG 3.47Å; W255-S263 PolarHBondContact O-N 3.06Å; W255-S263 VanDerWaalsContact O-N 3.12Å; W255-S263 PolarHBondContact O-OG 3.27Å; W255-S263 VanDerWaalsContact O-OG 3.11Å; S263-F275 CarbonylContact O-C 3.55Å; S263-F275 WeakPolarHBondContact O-CA 3.35Å; S263-F275 WeakPolarHBondContact O-CD2 3.4Å; S263-F275 WeakPolarHBondContact OG-CE2 3.42Å; S263-H276 WeakPolarHBondContact CA-O 3.24Å; S263-H276 WeakPolarHBondContact CB-O 3.49Å; S263-H276 PolarHBondContact O-CD2 2.95Å; S263-H276 PolarHBondContact O-N 3.04Å
264	W	98.6	Very high	97.7	Very high	10 Å²	10	40.8 Å²	40.8	4%	0.038	21%	0.211	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-117.8	128.2	176.2	-64.8	94.5	0	0	0	110.8	I238 H240 P251 P252 N253 W255 S262 C273 Y274 F275 L325	I238-W264 HydrophobicContact CG2-CH2 3.96Å; I238-W264 HydrophobicContact CG2-CZ3 4.32Å; H240-W264 HydrophobicContact CB-CH2 4.2Å; H240-W264 HydrophobicContact CB-CZ3 3.94Å; H240-W264 AromaticContact CD2-CH2 3.53Å; H240-W264 AromaticContact CD2-CZ3 3.89Å; P251-W264 HydrophobicContact CB-CB 3.93Å; P251-W264 HydrophobicContact CB-CG 4.19Å; P252-W264 HydrophobicContact CB-CZ2 4.47Å; P252-W264 HydrophobicContact CG-CD2 3.83Å; P252-W264 HydrophobicContact CG-CE3 4Å; P252-W264 HydrophobicContact CG-CG 4.29Å; P252-W264 HydrophobicContact CG-CH2 4.46Å; P252-W264 HydrophobicContact CG-CZ2 4.3Å; P252-W264 HydrophobicContact CG-CZ3 4.31Å; N253-W264 PolarHBondContact OD1-NE1 2.96Å; W255-W264 HydrophobicContact CE3-CZ2 4.1Å; W255-W264 HydrophobicContact CZ3-CZ2 4.16Å; S262-W264 PolarHBondContact O-N 2.72Å; S262-W264 PolarHBondContact OG-N 3.28Å; W264-C273 HydrophobicContact CB-CB 4.32Å; W264-C273 HydrophobicContact CE3-CB 4.07Å; W264-Y274 WeakPolarHBondContact CA-O 3.11Å; W264-F275 HydrophobicContact CD2-CB 4.49Å; W264-F275 HydrophobicContact CD2-CD2 4.3Å; W264-F275 AromaticContact CE2-CD2 3.92Å; W264-F275 HydrophobicContact CE3-CB 4.06Å; W264-F275 HydrophobicContact CH2-CB 3.9Å; W264-F275 HydrophobicContact CH2-CD2 4.38Å; W264-F275 HydrophobicContact CH2-CG 4.47Å; W264-F275 HydrophobicContact CZ2-CB 4.34Å; W264-F275 AromaticContact CZ2-CD2 3.98Å; W264-F275 HydrophobicContact CZ2-CD2 3.98Å; W264-F275 HydrophobicContact CZ2-CG 4.49Å; W264-F275 HydrophobicContact CZ3-CB 3.75Å; W264-L325 HydrophobicContact CH2-CD2 4.39Å; W264-L325 HydrophobicContact CZ2-CD2 4.08Å
265	H	98.6	Very high	97.8	Very high	68 Å²	68	38.9 Å²	38.9	32%	0.315	20%	0.201	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-123.8	134.5	178.2	-172.9	-91.4	0	0	0	110.9	C273 Y274 K280	H265-C273 CarbonylContact O-C 3.58Å; H265-C273 WeakPolarHBondContact O-CA 3.36Å; H265-Y274 HydrophobicContact CB-CE1 3.88Å; H265-Y274 HydrophobicContact CB-CE2 4.16Å; H265-Y274 AromaticContact CG-CZ 3.96Å; H265-Y274 PolarHBondContact N-O 3.37Å; H265-Y274 AromaticContact ND1-CE1 3.47Å; H265-Y274 WeakPolarHBondContact ND1-CE1 3.46Å; H265-Y274 AromaticContact ND1-CZ 3.62Å; H265-Y274 PolarHBondContact ND1-OH 2.74Å; H265-Y274 VanDerWaalsContact O-CD1 3.22Å; H265-Y274 WeakPolarHBondContact O-CD1 3.44Å; H265-Y274 PolarHBondContact O-N 2.95Å; H265-K280 HydrophobicContact CB-CB 4.18Å
266	F	98.6	Very high	97.8	Very high	24 Å²	24	39.3 Å²	39.3	11%	0.105	20%	0.203	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-78.5	131.3	-179.6	178.7	-103.4	0	0	0	110.9	H244 T249 E268 N271	H244-F266 HydrophobicContact CB-CB 4.47Å; H244-F266 HydrophobicContact CB-CD1 4Å; H244-F266 HydrophobicContact CB-CD2 3.66Å; H244-F266 HydrophobicContact CB-CE1 4.09Å; H244-F266 HydrophobicContact CB-CE2 3.76Å; H244-F266 HydrophobicContact CB-CG 3.77Å; H244-F266 HydrophobicContact CB-CZ 3.96Å; H244-F266 AromaticContact CE1-CD1 3.79Å; H244-F266 AromaticContact CE1-CE1 3.93Å; H244-F266 AromaticContact CG-CD1 3.59Å; H244-F266 AromaticContact CG-CE1 3.8Å; H244-F266 AromaticContact CG-CG 3.79Å; H244-F266 AromaticContact ND1-CD1 3.3Å; H244-F266 VanDerWaalsContact ND1-CD1 3.3Å; H244-F266 WeakPolarHBondContact ND1-CD1 3.46Å; H244-F266 AromaticContact ND1-CE1 3.19Å; H244-F266 WeakPolarHBondContact ND1-CE1 3.45Å; H244-F266 AromaticContact ND1-CG 3.99Å; H244-F266 AromaticContact ND1-CZ 3.81Å; T249-F266 HydrophobicContact CG2-CB 4.27Å; F266-E268 HydrophobicContact CD1-CG 4.28Å; F266-E268 HydrophobicContact CE1-CB 4.46Å; F266-E268 HydrophobicContact CE1-CG 3.96Å; F266-N271 WeakPolarHBondContact CZ-OD1 3.07Å
267	D	98.6	Very high	97.7	Very high	16 Å²	16	38.7 Å²	38.7	9%	0.086	20%	0.2	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.3	123.5	171.3	-177.8	-91.1	0	0	0	110.3	R227 W239 V269 R270 N271 Q272 Y274	R227-D267 IonicContact NH1-OD2 3.18Å; W239-D267 HydrophobicContact CH2-CB 3.65Å; W239-D267 HydrophobicContact CZ3-CB 3.61Å; D267-V269 VanDerWaalsContact C-N 3.32Å; D267-V269 PolarHBondContact O-N 3.23Å; D267-V269 WeakPolarHBondContact OD1-CA 3.5Å; D267-V269 WeakPolarHBondContact OD1-CB 3.49Å; D267-V269 PolarHBondContact OD1-N 3.19Å; D267-R270 HydrophobicContact CB-CB 4.49Å; D267-R270 PolarHBondContact OD1-N 3.29Å; D267-N271 VanDerWaalsContact O-CA 3.29Å; D267-N271 WeakPolarHBondContact O-CA 3.48Å; D267-N271 PolarHBondContact O-N 3.4Å; D267-Q272 PolarHBondContact N-O 3.32Å; D267-Y274 HydrophobicContact CB-CD1 4.2Å; D267-Y274 HydrophobicContact CB-CE1 4.34Å
268	E	97.6	Very high	97.7	Very high	161 Å²	161	38.7 Å²	38.7	75%	0.752	20%	0.2	S	C	*	.	T	Hydrogen-bonded Turn	trans	-69.6	-26.9	-176.6	-61.6	-179.2	165.1	0	0	113.2	F266	F266-E268 HydrophobicContact CD1-CG 4.28Å; F266-E268 HydrophobicContact CE1-CB 4.46Å; F266-E268 HydrophobicContact CE1-CG 3.96Å
269	V	98.3	Very high	97.7	Very high	83 Å²	83	38.9 Å²	38.9	50%	0.503	20%	0.198	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-45.9	-178.7	178.7	0	0	0	0	110.1	R227 T228 D267	R227-V269 HydrophobicContact CG-CG1 4.46Å; T228-V269 HydrophobicContact CG2-CG1 4.05Å; D267-V269 VanDerWaalsContact C-N 3.32Å; D267-V269 PolarHBondContact O-N 3.23Å; D267-V269 WeakPolarHBondContact OD1-CA 3.5Å; D267-V269 WeakPolarHBondContact OD1-CB 3.49Å; D267-V269 PolarHBondContact OD1-N 3.19Å
270	R	98.4	Very high	97.9	Very high	15 Å²	15	39.4 Å²	39.4	6%	0.057	20%	0.202	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.1	-20.3	180	-167.9	148.1	168.2	166.1	-6.2	113.1	S226 R227 R229 T234 W239 D267 Q272	S226-R270 PolarHBondContact O-NH1 3.41Å; S226-R270 PolarHBondContact OG-NH1 3.32Å; R227-R270 HydrophobicContact CB-CB 4.38Å; R227-R270 VanDerWaalsContact O-CB 3.32Å; R227-R270 WeakPolarHBondContact O-CB 3.48Å; R229-R270 PolarHBondContact NH2-O 3.36Å; T234-R270 PolarHBondContact O-NH1 3.19Å; T234-R270 PolarHBondContact O-NH2 3.08Å; W239-R270 VanDerWaalsContact CD1-NH2 3.3Å; W239-R270 VanDerWaalsContact CD2-CD 3.49Å; W239-R270 HydrophobicContact CD2-CG 4.36Å; W239-R270 HydrophobicContact CE3-CB 4.3Å; W239-R270 HydrophobicContact CE3-CG 4.06Å; W239-R270 HydrophobicContact CH2-CB 4.07Å; W239-R270 HydrophobicContact CH2-CG 4.49Å; W239-R270 HydrophobicContact CZ3-CB 3.86Å; W239-R270 HydrophobicContact CZ3-CG 4.14Å; D267-R270 HydrophobicContact CB-CB 4.49Å; D267-R270 PolarHBondContact OD1-N 3.29Å; R270-Q272 VanDerWaalsContact C-N 3.27Å; R270-Q272 HydrophobicContact CG-CB 4.19Å; R270-Q272 HydrophobicContact CG-CG 4.31Å; R270-Q272 VanDerWaalsContact NE-OE1 3.1Å; R270-Q272 PolarHBondContact O-N 3.34Å
271	N	98.1	Very high	98.2	Very high	114 Å²	114	41.9 Å²	41.9	61%	0.61	21%	0.21	S	C	*	.	T	Hydrogen-bonded Turn	trans	55.3	42.8	-174.6	-162.3	72.4	0	0	0	112.1	F266 D267	F266-N271 WeakPolarHBondContact CZ-OD1 3.07Å; D267-N271 VanDerWaalsContact O-CA 3.29Å; D267-N271 WeakPolarHBondContact O-CA 3.48Å; D267-N271 PolarHBondContact O-N 3.4Å
272	Q	98.6	Very high	98.3	Very high	19 Å²	19	36.6 Å²	36.6	9%	0.089	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	165.2	179.6	-69.3	-171	-71.7	0	0	109.1	W239 H240 D241 D267 R270	W239-Q272 HydrophobicContact CE3-CB 3.87Å; W239-Q272 HydrophobicContact CZ3-CB 4.46Å; H240-Q272 WeakPolarHBondContact O-CB 3.5Å; D241-Q272 PolarHBondContact OD1-NE2 3.4Å; D267-Q272 PolarHBondContact N-O 3.32Å; R270-Q272 VanDerWaalsContact C-N 3.27Å; R270-Q272 HydrophobicContact CG-CB 4.19Å; R270-Q272 HydrophobicContact CG-CG 4.31Å; R270-Q272 VanDerWaalsContact NE-OE1 3.1Å; R270-Q272 PolarHBondContact O-N 3.34Å
273	C	98.8	Very high	98.3	Very high	0 Å²	0	34.8 Å²	34.8	0%	0	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-92.4	140.4	170.1	-71.9	0	0	0	0	110.8	W239 H240 C242 T249 W264 H265	W239-C273 CarbonylContact C-O 3.57Å; W239-C273 WeakPolarHBondContact CA-O 3.2Å; H240-C273 PolarHBondContact N-O 2.96Å; H240-C273 PolarHBondContact O-N 3.34Å; C242-C273 HydrophobicContact CB-CB 3.83Å; C242-C273 WeakPolarHBondContact CB-SG 3.36Å; C242-C273 WeakPolarHBondContact SG-CB 3.37Å; C242-C273 PolarHBondContact SG-N 3.44Å; C242-C273 CovalentContact SG-SG 2.04Å; C242-C273 PolarHBondContact SG-SG 3.43Å; T249-C273 WeakPolarHBondContact CG2-SG 3.32Å; W264-C273 HydrophobicContact CB-CB 4.32Å; W264-C273 HydrophobicContact CE3-CB 4.07Å; H265-C273 CarbonylContact O-C 3.58Å; H265-C273 WeakPolarHBondContact O-CA 3.36Å
274	Y	98.9	Very high	98.3	Very high	8 Å²	8	34.9 Å²	34.9	3%	0.031	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.4	154.6	167.5	65.3	-87.5	0	0	0	110.9	F223 I238 W239 W264 H265 D267 K280 P283	F223-Y274 HydrophobicContact CE2-CD1 4.31Å; F223-Y274 HydrophobicContact CE2-CD2 4.26Å; F223-Y274 HydrophobicContact CE2-CG 4.11Å; F223-Y274 AromaticContact CZ-CD1 3.87Å; F223-Y274 HydrophobicContact CZ-CD1 3.87Å; F223-Y274 HydrophobicContact CZ-CD2 4.39Å; F223-Y274 AromaticContact CZ-CE1 3.88Å; F223-Y274 HydrophobicContact CZ-CE1 3.88Å; F223-Y274 HydrophobicContact CZ-CE2 4.4Å; F223-Y274 HydrophobicContact CZ-CG 4.13Å; I238-Y274 VanDerWaalsContact O-CA 3.25Å; I238-Y274 WeakPolarHBondContact O-CA 3.38Å; W239-Y274 AromaticContact CH2-CD1 3.78Å; W239-Y274 HydrophobicContact CH2-CD1 3.78Å; W239-Y274 HydrophobicContact CH2-CG 4.2Å; W239-Y274 AromaticContact CZ3-CD1 3.79Å; W239-Y274 HydrophobicContact CZ3-CD1 3.79Å; W239-Y274 HydrophobicContact CZ3-CG 4.22Å; W264-Y274 WeakPolarHBondContact CA-O 3.11Å; H265-Y274 HydrophobicContact CB-CE1 3.88Å; H265-Y274 HydrophobicContact CB-CE2 4.16Å; H265-Y274 AromaticContact CG-CZ 3.96Å; H265-Y274 PolarHBondContact N-O 3.37Å; H265-Y274 AromaticContact ND1-CE1 3.47Å; H265-Y274 WeakPolarHBondContact ND1-CE1 3.46Å; H265-Y274 AromaticContact ND1-CZ 3.62Å; H265-Y274 PolarHBondContact ND1-OH 2.74Å; H265-Y274 VanDerWaalsContact O-CD1 3.22Å; H265-Y274 WeakPolarHBondContact O-CD1 3.44Å; H265-Y274 PolarHBondContact O-N 2.95Å; D267-Y274 HydrophobicContact CB-CD1 4.2Å; D267-Y274 HydrophobicContact CB-CE1 4.34Å; Y274-K280 VanDerWaalsContact CE2-O 3.31Å; Y274-K280 WeakPolarHBondContact CE2-O 3.38Å; Y274-K280 PolarHBondContact OH-O 2.7Å; Y274-P283 HydrophobicContact CD2-CB 3.68Å; Y274-P283 HydrophobicContact CE2-CB 3.85Å
275	F	98.9	Very high	98.3	Very high	1 Å²	1	34.5 Å²	34.5	0%	0.004	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-89	144.2	179	-178.2	-109.4	0	0	0	112.3	I238 W255 S263 W264 Q277 D284 E321 T351	I238-F275 HydrophobicContact CB-CB 3.97Å; I238-F275 HydrophobicContact CD1-CD1 4.08Å; I238-F275 HydrophobicContact CG2-CB 4.04Å; I238-F275 PolarHBondContact O-N 2.79Å; I238-F275 VanDerWaalsContact O-N 3.11Å; W255-F275 HydrophobicContact CE3-CD2 4.05Å; W255-F275 AromaticContact CE3-CE2 3.54Å; W255-F275 HydrophobicContact CE3-CE2 3.54Å; W255-F275 HydrophobicContact CE3-CZ 4.21Å; W255-F275 HydrophobicContact CZ3-CD2 4.44Å; W255-F275 HydrophobicContact CZ3-CE2 4.1Å; W255-F275 HydrophobicContact CZ3-CZ 4.5Å; S263-F275 CarbonylContact O-C 3.55Å; S263-F275 WeakPolarHBondContact O-CA 3.35Å; S263-F275 WeakPolarHBondContact O-CD2 3.4Å; S263-F275 WeakPolarHBondContact OG-CE2 3.42Å; W264-F275 HydrophobicContact CD2-CB 4.49Å; W264-F275 HydrophobicContact CD2-CD2 4.3Å; W264-F275 AromaticContact CE2-CD2 3.92Å; W264-F275 HydrophobicContact CE3-CB 4.06Å; W264-F275 HydrophobicContact CH2-CB 3.9Å; W264-F275 HydrophobicContact CH2-CD2 4.38Å; W264-F275 HydrophobicContact CH2-CG 4.47Å; W264-F275 HydrophobicContact CZ2-CB 4.34Å; W264-F275 AromaticContact CZ2-CD2 3.98Å; W264-F275 HydrophobicContact CZ2-CD2 3.98Å; W264-F275 HydrophobicContact CZ2-CG 4.49Å; W264-F275 HydrophobicContact CZ3-CB 3.75Å; F275-Q277 HydrophobicContact CE1-CG 3.54Å; F275-Q277 VanDerWaalsContact CZ-CD 3.46Å; F275-Q277 HydrophobicContact CZ-CG 3.73Å; F275-D284 HydrophobicContact CD1-CB 3.98Å; F275-D284 WeakPolarHBondContact CD1-OD2 3.43Å; F275-D284 HydrophobicContact CE1-CB 4.47Å; F275-D284 WeakPolarHBondContact CE1-OD2 3.22Å; F275-D284 PolarHBondContact O-N 3.08Å; F275-D284 VanDerWaalsContact O-N 3.13Å; F275-E321 HydrophobicContact CD1-CG 4.33Å; F275-E321 HydrophobicContact CE1-CG 3.49Å; F275-E321 VanDerWaalsContact CE1-CG 3.49Å; F275-E321 WeakPolarHBondContact CE1-OE1 3.43Å; F275-E321 HydrophobicContact CZ-CG 3.64Å; F275-T351 HydrophobicContact CZ-CG2 4.49Å
276	H	98.7	Very high	98.3	Very high	11 Å²	11	32.8 Å²	32.8	5%	0.051	16%	0.162	C	C	.	.			trans	-148.8	123.8	171.6	62.3	89.5	0	0	0	111.7	S262 S263 F278 M279 Q282 D284	S262-H276 PolarHBondContact O-CE1 3.4Å; S262-H276 VanDerWaalsContact O-CE1 3.32Å; S263-H276 WeakPolarHBondContact CA-O 3.24Å; S263-H276 WeakPolarHBondContact CB-O 3.49Å; S263-H276 PolarHBondContact O-CD2 2.95Å; S263-H276 PolarHBondContact O-N 3.04Å; H276-F278 PolarHBondContact ND1-O 2.9Å; H276-M279 WeakPolarHBondContact CB-O 3.46Å; H276-M279 PolarHBondContact ND1-O 2.81Å; H276-Q282 WeakPolarHBondContact CB-O 3.4Å; H276-D284 WeakPolarHBondContact CA-OD2 3.49Å
277	Q	98.4	Very high	98.3	Very high	0 Å²	0	31.7 Å²	31.7	0%	0	16%	0.157	C	C	.	.	S	Bend	trans	-73	-34.1	175.2	-68	-84.4	16.6	0	0	111.8	S257 V258 F275 D284 F318 E321 T351	S257-Q277 CarbonylContact C-O 3.59Å; S257-Q277 WeakPolarHBondContact CA-O 3.27Å; S257-Q277 PolarHBondContact OG-O 3.43Å; V258-Q277 PolarHBondContact N-O 3.35Å; F275-Q277 HydrophobicContact CE1-CG 3.54Å; F275-Q277 VanDerWaalsContact CZ-CD 3.46Å; F275-Q277 HydrophobicContact CZ-CG 3.73Å; Q277-D284 WeakPolarHBondContact CG-OD2 3.29Å; Q277-D284 PolarHBondContact N-OD2 3.32Å; Q277-F318 HydrophobicContact CB-CD1 4.48Å; Q277-F318 HydrophobicContact CG-CB 4.18Å; Q277-F318 HydrophobicContact CG-CD1 4.24Å; Q277-E321 PolarHBondContact NE2-OE1 3.03Å; Q277-T351 PolarHBondContact NE2-O 3.46Å
278	F	96.9	Very high	98.3	Very high	2 Å²	2	36.4 Å²	36.4	1%	0.009	17%	0.174	C	C	.	.	S	Bend	trans	-104.7	-122.6	-177	-57	-68.7	0	0	0	109.7	R174 H215 S257 V258 Y259 H276 Q282 A315 F318	R174-F278 HydrophobicContact CB-CE2 4.47Å; R174-F278 HydrophobicContact CB-CZ 4.49Å; R174-F278 HydrophobicContact CG-CD1 3.95Å; R174-F278 HydrophobicContact CG-CE1 3.72Å; R174-F278 HydrophobicContact CG-CE2 4.41Å; R174-F278 HydrophobicContact CG-CG 4.4Å; R174-F278 HydrophobicContact CG-CZ 3.95Å; H215-F278 AromaticContact CE1-CD2 3.28Å; H215-F278 WeakPolarHBondContact CE1-CD2 3.08Å; H215-F278 AromaticContact CE1-CE2 3.49Å; H215-F278 VanDerWaalsContact CE1-CE2 3.49Å; H215-F278 WeakPolarHBondContact CE1-CE2 3.34Å; H215-F278 AromaticContact ND1-CD2 3.39Å; H215-F278 WeakPolarHBondContact ND1-CD2 3.26Å; H215-F278 AromaticContact ND1-CE2 3.57Å; S257-F278 WeakPolarHBondContact CB-O 3.31Å; S257-F278 PolarHBondContact OG-O 3.41Å; V258-F278 HydrophobicContact CB-CD1 4.08Å; V258-F278 HydrophobicContact CB-CE1 4.32Å; V258-F278 HydrophobicContact CG1-CD1 4.48Å; V258-F278 HydrophobicContact CG1-CE1 4.5Å; V258-F278 HydrophobicContact CG2-CD1 4.15Å; V258-F278 HydrophobicContact CG2-CE1 4Å; Y259-F278 HydrophobicContact CD2-CB 4.22Å; Y259-F278 HydrophobicContact CD2-CD1 4.5Å; Y259-F278 HydrophobicContact CE2-CB 3.94Å; Y259-F278 AromaticContact CE2-CD1 3.85Å; Y259-F278 HydrophobicContact CE2-CD1 3.85Å; Y259-F278 HydrophobicContact CE2-CG 4.34Å; H276-F278 PolarHBondContact ND1-O 2.9Å; F278-Q282 HydrophobicContact CB-CB 4.45Å; F278-Q282 VanDerWaalsContact CB-OE1 3.26Å; F278-A315 HydrophobicContact CE2-CB 4.05Å; F278-A315 HydrophobicContact CZ-CB 3.8Å; F278-F318 HydrophobicContact CE1-CE2 4.34Å; F278-F318 AromaticContact CZ-CD2 3.84Å; F278-F318 HydrophobicContact CZ-CD2 3.84Å; F278-F318 HydrophobicContact CZ-CE2 4.04Å; F278-F318 HydrophobicContact CZ-CG 4.4Å
279	M	97.1	Very high	98.4	Very high	46 Å²	46	29.7 Å²	29.7	23%	0.227	14%	0.143	C	C	.	.			trans	-82.4	160.2	178.9	-61.9	-61.9	-173.5	0	0	112.4	L170 F173 Y259 H276 E281 Q282	L170-M279 HydrophobicContact CD2-CB 4.4Å; L170-M279 HydrophobicContact CD2-CG 4.25Å; F173-M279 HydrophobicContact CB-CE 4.46Å; F173-M279 HydrophobicContact CB-CG 4.26Å; F173-M279 HydrophobicContact CD1-CE 3.39Å; F173-M279 HydrophobicContact CD2-CE 4.34Å; F173-M279 HydrophobicContact CE1-CE 3.51Å; F173-M279 HydrophobicContact CE2-CE 4.44Å; F173-M279 HydrophobicContact CG-CE 3.83Å; F173-M279 HydrophobicContact CG-CG 4.43Å; F173-M279 HydrophobicContact CZ-CE 4.05Å; Y259-M279 HydrophobicContact CD1-CE 4.23Å; Y259-M279 HydrophobicContact CD2-CE 3.55Å; Y259-M279 HydrophobicContact CD2-CG 4.09Å; Y259-M279 HydrophobicContact CD2-SD 3.89Å; Y259-M279 HydrophobicContact CE2-CE 4.26Å; Y259-M279 HydrophobicContact CG-CE 3.53Å; Y259-M279 HydrophobicContact CG-SD 4.21Å; H276-M279 WeakPolarHBondContact CB-O 3.46Å; H276-M279 PolarHBondContact ND1-O 2.81Å; M279-E281 PolarHBondContact O-N 2.86Å; M279-Q282 VanDerWaalsContact CB-OE1 3.3Å; M279-Q282 WeakPolarHBondContact O-CA 3.02Å; M279-Q282 WeakPolarHBondContact O-CB 3.34Å; M279-Q282 PolarHBondContact O-N 3.24Å
280	K	97.6	Very high	98.4	Very high	89 Å²	89	30 Å²	30	39%	0.387	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-61.1	-26.4	175.8	65.3	-179	-177.7	68.3	0	112.6	H265 Y274 Q282	H265-K280 HydrophobicContact CB-CB 4.18Å; Y274-K280 VanDerWaalsContact CE2-O 3.31Å; Y274-K280 WeakPolarHBondContact CE2-O 3.38Å; Y274-K280 PolarHBondContact OH-O 2.7Å; K280-Q282 PolarHBondContact O-N 3.4Å
281	E	97.9	Very high	98.4	Very high	63 Å²	63	32.6 Å²	32.6	29%	0.294	16%	0.162	S	C	.	.	T	Hydrogen-bonded Turn	trans	-74.4	-3	173.2	-63.9	78.2	-171.2	0	0	113.2	S217 D218 M279 P283	S217-E281 CarbonylContact C-O 3.51Å; S217-E281 WeakPolarHBondContact CA-O 3.44Å; D218-E281 PolarHBondContact N-O 3.28Å; M279-E281 PolarHBondContact O-N 2.86Å; E281-P283 VanDerWaalsContact O-CD 3.31Å; E281-P283 WeakPolarHBondContact O-CD 3.1Å
282	Q	98.3	Very high	98.4	Very high	0 Å²	0	27.2 Å²	27.2	0%	0	13%	0.133	C	C	.	.	S	Bend	trans	-119	67.3	-178.8	-66.5	169.3	-69.1	0	0	111.3	L170 F173 H215 T216 H276 F278 M279 K280 D284	L170-Q282 HydrophobicContact CD2-CG 4.42Å; F173-Q282 PolarHBondContact O-NE2 3.31Å; F173-Q282 PolarHBondContact O-OE1 3.04Å; H215-Q282 HydrophobicContact CB-CB 4.43Å; H215-Q282 PolarHBondContact NE2-NE2 3.08Å; T216-Q282 WeakPolarHBondContact O-CA 3.41Å; H276-Q282 WeakPolarHBondContact CB-O 3.4Å; F278-Q282 HydrophobicContact CB-CB 4.45Å; F278-Q282 VanDerWaalsContact CB-OE1 3.26Å; M279-Q282 VanDerWaalsContact CB-OE1 3.3Å; M279-Q282 WeakPolarHBondContact O-CA 3.02Å; M279-Q282 WeakPolarHBondContact O-CB 3.34Å; M279-Q282 PolarHBondContact O-N 3.24Å; K280-Q282 PolarHBondContact O-N 3.4Å; Q282-D284 PolarHBondContact O-N 3.2Å
283	P	98.8	Very high	98.5	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	14%	0.14	C	C	.	.	P	Polyproline II helix	trans	-62.9	132.7	177.3	28.1	-37.6	0	0	0	111.7	H215 T216 D218 F223 Y237 Y274 E281	H215-P283 WeakPolarHBondContact CB-O 3.46Å; T216-P283 PolarHBondContact N-O 3.35Å; T216-P283 VanDerWaalsContact O-CD 3.26Å; T216-P283 WeakPolarHBondContact O-CD 3.28Å; D218-P283 HydrophobicContact CB-CG 4.35Å; F223-P283 HydrophobicContact CB-CG 4.49Å; F223-P283 HydrophobicContact CD2-CB 3.65Å; F223-P283 HydrophobicContact CD2-CG 3.43Å; F223-P283 VanDerWaalsContact CD2-CG 3.43Å; F223-P283 HydrophobicContact CE2-CB 3.48Å; F223-P283 VanDerWaalsContact CE2-CB 3.48Å; F223-P283 HydrophobicContact CE2-CG 3.67Å; F223-P283 HydrophobicContact CG-CG 3.95Å; F223-P283 HydrophobicContact CZ-CB 4.31Å; F223-P283 HydrophobicContact CZ-CG 4.35Å; Y237-P283 HydrophobicContact CD1-CB 3.69Å; Y237-P283 HydrophobicContact CD1-CG 4.06Å; Y237-P283 HydrophobicContact CE1-CB 3.95Å; Y237-P283 HydrophobicContact CE1-CG 3.78Å; Y237-P283 WeakPolarHBondContact CE1-O 3.29Å; Y274-P283 HydrophobicContact CD2-CB 3.68Å; Y274-P283 HydrophobicContact CE2-CB 3.85Å; E281-P283 VanDerWaalsContact O-CD 3.31Å; E281-P283 WeakPolarHBondContact O-CD 3.1Å
284	D	98.9	Very high	98.5	Very high	2 Å²	2	32.6 Å²	32.6	1%	0.011	16%	0.158	C	C	.	.	B	Isolated β-bridge	trans	-77.3	139.4	-177.4	-70.5	-41.8	0	0	0	113	N214 H215 Y237 F275 H276 Q277 Q282	N214-D284 PolarHBondContact ND2-OD1 3.47Å; H215-D284 WeakPolarHBondContact CB-OD1 3.28Å; Y237-D284 VanDerWaalsContact CD1-O 3.27Å; Y237-D284 WeakPolarHBondContact CD1-O 3.09Å; F275-D284 HydrophobicContact CD1-CB 3.98Å; F275-D284 WeakPolarHBondContact CD1-OD2 3.43Å; F275-D284 HydrophobicContact CE1-CB 4.47Å; F275-D284 WeakPolarHBondContact CE1-OD2 3.22Å; F275-D284 PolarHBondContact O-N 3.08Å; F275-D284 VanDerWaalsContact O-N 3.13Å; H276-D284 WeakPolarHBondContact CA-OD2 3.49Å; Q277-D284 WeakPolarHBondContact CG-OD2 3.29Å; Q277-D284 PolarHBondContact N-OD2 3.32Å; Q282-D284 PolarHBondContact O-N 3.2Å
285	L	98.9	Very high	98.4	Very high	3 Å²	3	33.7 Å²	33.7	2%	0.016	16%	0.163	C	C	.	.	B	Isolated β-bridge	trans	-73.8	139	175.4	-73.9	172.1	0	0	0	110.6	P213 N214 T216 W222 Y236 Y237 F287 V292 I296	P213-L285 WeakPolarHBondContact O-CD1 3.49Å; N214-L285 PolarHBondContact O-N 3.49Å; T216-L285 HydrophobicContact CG2-CD1 3.88Å; T216-L285 HydrophobicContact CG2-CD2 3.94Å; T216-L285 HydrophobicContact CG2-CG 3.96Å; W222-L285 HydrophobicContact CE3-CD2 4.02Å; W222-L285 HydrophobicContact CZ3-CD1 4.3Å; W222-L285 HydrophobicContact CZ3-CD2 4.3Å; Y236-L285 WeakPolarHBondContact O-CA 3.4Å; Y237-L285 HydrophobicContact CD1-CD2 4.36Å; Y237-L285 HydrophobicContact CE1-CD2 3.89Å; Y237-L285 HydrophobicContact CE1-CG 4.48Å; Y237-L285 HydrophobicContact CE2-CD2 4.46Å; L285-F287 HydrophobicContact CB-CD2 4.28Å; L285-F287 HydrophobicContact CB-CE2 3.96Å; L285-F287 PolarHBondContact O-N 2.88Å; L285-V292 HydrophobicContact CB-CG1 3.91Å; L285-V292 HydrophobicContact CD1-CG1 4.42Å; L285-V292 HydrophobicContact CD2-CG1 4.37Å; L285-V292 HydrophobicContact CG-CG1 4.48Å; L285-I296 HydrophobicContact CD1-CD1 3.93Å
286	N	98.9	Very high	98.4	Very high	31 Å²	31	33.7 Å²	33.7	17%	0.166	16%	0.163	C	C	.	.			trans	-82.2	86.7	178.1	178.6	14.8	0	0	0	111	D235 Y236 I238 R288 N289	D235-N286 WeakPolarHBondContact O-CB 3.28Å; D235-N286 PolarHBondContact O-ND2 3.11Å; D235-N286 VanDerWaalsContact O-ND2 3.08Å; Y236-N286 PolarHBondContact O-N 3.04Å; I238-N286 HydrophobicContact CG1-CB 3.99Å; N286-R288 PolarHBondContact O-N 3.03Å; N286-R288 WeakPolarHBondContact OD1-CB 3.47Å; N286-R288 PolarHBondContact OD1-N 3.36Å; N286-N289 VanDerWaalsContact O-CB 3.28Å; N286-N289 WeakPolarHBondContact O-CB 3.29Å; N286-N289 PolarHBondContact O-N 3.27Å
287	F	98.8	Very high	98.5	Very high	2 Å²	2	34.9 Å²	34.9	1%	0.009	17%	0.168	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-7.1	178.9	-86.4	-85.8	0	0	0	115.1	P213 L285 Q293 I296 L319 L320 I360 F364	P213-F287 HydrophobicContact CB-CZ 4Å; P213-F287 WeakPolarHBondContact O-CE2 3.42Å; P213-F287 WeakPolarHBondContact O-CZ 3.48Å; L285-F287 HydrophobicContact CB-CD2 4.28Å; L285-F287 HydrophobicContact CB-CE2 3.96Å; L285-F287 PolarHBondContact O-N 2.88Å; F287-Q293 HydrophobicContact CD1-CG 4.15Å; F287-Q293 PolarHBondContact O-NE2 2.66Å; F287-I296 HydrophobicContact CE1-CG1 4.09Å; F287-I296 HydrophobicContact CZ-CD1 4.46Å; F287-I296 HydrophobicContact CZ-CG1 3.92Å; F287-L319 HydrophobicContact CD2-CD2 3.74Å; F287-L319 HydrophobicContact CE1-CD2 4.21Å; F287-L319 HydrophobicContact CE2-CD2 3.37Å; F287-L319 HydrophobicContact CG-CD2 4.3Å; F287-L319 HydrophobicContact CZ-CD2 3.64Å; F287-L320 HydrophobicContact CB-CD2 3.9Å; F287-I360 HydrophobicContact CB-CD1 3.84Å; F287-I360 HydrophobicContact CD1-CD1 4.13Å; F287-I360 HydrophobicContact CD1-CG2 3.96Å; F287-I360 HydrophobicContact CE1-CG2 4.16Å; F287-I360 HydrophobicContact CG-CD1 4.24Å; F287-F364 AromaticContact CE1-CZ 3.98Å; F287-F364 HydrophobicContact CE1-CZ 3.98Å
288	R	98.4	Very high	98.5	Very high	115 Å²	115	38.5 Å²	38.5	43%	0.434	19%	0.185	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-16	170.2	-54.3	-173.3	175.7	-71.3	-2.7	112	N286 L320 E321	N286-R288 PolarHBondContact O-N 3.03Å; N286-R288 WeakPolarHBondContact OD1-CB 3.47Å; N286-R288 PolarHBondContact OD1-N 3.36Å; R288-L320 HydrophobicContact CG-CD2 3.8Å; R288-E321 PolarHBondContact NH2-O 2.74Å
289	N	98.8	Very high	98.6	Very high	20 Å²	20	38.5 Å²	38.5	11%	0.107	19%	0.185	C	C	.	.	S	Bend	trans	-84.7	119.1	174	-175.6	-5.3	0	0	0	110.1	D235 N286 D291 V292 Q293	D235-N289 PolarHBondContact O-ND2 2.64Å; D235-N289 VanDerWaalsContact O-ND2 3.08Å; N286-N289 VanDerWaalsContact O-CB 3.28Å; N286-N289 WeakPolarHBondContact O-CB 3.29Å; N286-N289 PolarHBondContact O-N 3.27Å; N289-D291 PolarHBondContact O-N 3.13Å; N289-D291 WeakPolarHBondContact OD1-CB 3.28Å; N289-D291 PolarHBondContact OD1-N 2.79Å; N289-V292 HydrophobicContact CB-CB 4.37Å; N289-V292 HydrophobicContact CB-CG2 3.97Å; N289-V292 WeakPolarHBondContact O-CB 3.41Å; N289-V292 PolarHBondContact O-N 3.18Å; N289-V292 VanDerWaalsContact O-N 3.17Å; N289-Q293 PolarHBondContact O-N 3.11Å
290	P	98.6	Very high	98.7	Very high	89 Å²	89	36.3 Å²	36.3	58%	0.578	18%	0.175	S	C	*	.	H	α-helix	trans	-62.8	-27.1	179	26.4	-35.2	0	0	0	113.3	V292 Q293 E294	P290-V292 VanDerWaalsContact C-N 3.3Å; P290-V292 PolarHBondContact O-N 2.97Å; P290-Q293 PolarHBondContact O-N 2.85Å; P290-E294 PolarHBondContact O-N 2.7Å
291	D	98.8	Very high	98.7	Very high	70 Å²	70	34.3 Å²	34.3	37%	0.374	17%	0.165	S	C	.	.	H	α-helix	trans	-64.5	-37.8	176.8	-69.9	-16.3	0	0	0	111.2	Y236 N289 E294 E295	Y236-D291 HydrophobicContact CE2-CB 3.84Å; N289-D291 PolarHBondContact O-N 3.13Å; N289-D291 WeakPolarHBondContact OD1-CB 3.28Å; N289-D291 PolarHBondContact OD1-N 2.79Å; D291-E294 PolarHBondContact O-N 3.14Å; D291-E295 VanDerWaalsContact O-CG 3.22Å; D291-E295 WeakPolarHBondContact O-CG 2.96Å; D291-E295 PolarHBondContact O-N 3.21Å; D291-E295 VanDerWaalsContact O-N 3.09Å
292	V	98.8	Very high	98.8	Very high	0 Å²	0	33.7 Å²	33.7	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-64.6	-45.7	175	171.2	0	0	0	0	110.2	Y236 L285 N289 P290 E294 E295 I296	Y236-V292 HydrophobicContact CD1-CG2 4.13Å; Y236-V292 HydrophobicContact CD2-CG2 4.04Å; Y236-V292 HydrophobicContact CE2-CG2 4.48Å; Y236-V292 HydrophobicContact CG-CG2 3.87Å; L285-V292 HydrophobicContact CB-CG1 3.91Å; L285-V292 HydrophobicContact CD1-CG1 4.42Å; L285-V292 HydrophobicContact CD2-CG1 4.37Å; L285-V292 HydrophobicContact CG-CG1 4.48Å; N289-V292 HydrophobicContact CB-CB 4.37Å; N289-V292 HydrophobicContact CB-CG2 3.97Å; N289-V292 WeakPolarHBondContact O-CB 3.41Å; N289-V292 PolarHBondContact O-N 3.18Å; N289-V292 VanDerWaalsContact O-N 3.17Å; P290-V292 VanDerWaalsContact C-N 3.3Å; P290-V292 PolarHBondContact O-N 2.97Å; V292-E294 VanDerWaalsContact C-N 3.27Å; V292-E294 PolarHBondContact O-N 2.99Å; V292-E295 PolarHBondContact O-N 3.09Å; V292-I296 WeakPolarHBondContact O-CG1 3.36Å; V292-I296 PolarHBondContact O-N 3.22Å; V292-I296 VanDerWaalsContact O-N 3.09Å
293	Q	98.8	Very high	98.8	Very high	51 Å²	51	33.7 Å²	33.7	24%	0.238	16%	0.161	C	C	.	.	H	α-helix	trans	-60.3	-38.4	178.6	-62.4	-174.2	13.4	0	0	112.1	F287 N289 P290 K297	F287-Q293 HydrophobicContact CD1-CG 4.15Å; F287-Q293 PolarHBondContact O-NE2 2.66Å; N289-Q293 PolarHBondContact O-N 3.11Å; P290-Q293 PolarHBondContact O-N 2.85Å; Q293-K297 WeakPolarHBondContact O-CG 3.37Å; Q293-K297 PolarHBondContact O-N 3.38Å; Q293-K297 VanDerWaalsContact O-N 3.13Å
294	E	98.8	Very high	98.8	Very high	81 Å²	81	33.9 Å²	33.9	38%	0.379	16%	0.162	S	C	.	.	H	α-helix	trans	-69.9	-41.7	178.4	-169.1	56.5	-148.4	0	0	112.2	P290 D291 V292 I296 K297 E298 R301	P290-E294 PolarHBondContact O-N 2.7Å; D291-E294 PolarHBondContact O-N 3.14Å; V292-E294 VanDerWaalsContact C-N 3.27Å; V292-E294 PolarHBondContact O-N 2.99Å; E294-I296 VanDerWaalsContact C-N 3.29Å; E294-I296 PolarHBondContact O-N 2.79Å; E294-K297 PolarHBondContact O-N 2.72Å; E294-K297 VanDerWaalsContact O-N 3.15Å; E294-E298 WeakPolarHBondContact O-CG 3.28Å; E294-E298 PolarHBondContact O-N 3.29Å; E294-R301 IonicContact OE1-CZ 2.9Å; E294-R301 IonicContact OE1-NH1 2.84Å; E294-R301 PolarHBondContact OE1-NH1 3.25Å; E294-R301 IonicContact OE1-NH2 3.31Å
295	E	98.8	Very high	98.8	Very high	32 Å²	32	38.5 Å²	38.5	15%	0.15	19%	0.191	C	C	.	.	H	α-helix	trans	-60.7	-39.5	176.3	-64.5	-85.4	-168.9	0	0	111.8	W222 K232 Y236 D291 V292 E298 I299	W222-E295 HydrophobicContact CH2-CB 3.64Å; W222-E295 HydrophobicContact CH2-CG 4.39Å; W222-E295 HydrophobicContact CZ2-CB 3.78Å; W222-E295 HydrophobicContact CZ2-CG 4.11Å; K232-E295 IonicContact NZ-OE1 2.62Å; K232-E295 PolarHBondContact NZ-OE1 2.95Å; Y236-E295 HydrophobicContact CE1-CG 3.98Å; Y236-E295 VanDerWaalsContact OH-CG 3.29Å; Y236-E295 WeakPolarHBondContact OH-CG 3.13Å; Y236-E295 PolarHBondContact OH-OE1 2.65Å; D291-E295 VanDerWaalsContact O-CG 3.22Å; D291-E295 WeakPolarHBondContact O-CG 2.96Å; D291-E295 PolarHBondContact O-N 3.21Å; D291-E295 VanDerWaalsContact O-N 3.09Å; V292-E295 PolarHBondContact O-N 3.09Å; E295-E298 PolarHBondContact O-N 3.37Å; E295-I299 WeakPolarHBondContact O-CG1 3.44Å; E295-I299 PolarHBondContact O-N 2.7Å; E295-I299 VanDerWaalsContact O-N 3.08Å
296	I	98.8	Very high	98.8	Very high	0 Å²	0	41 Å²	41	0%	0	20%	0.201	C	C	.	.	H	α-helix	trans	-64.1	-41.6	175.3	-66.8	-61.7	0	0	0	111.4	F211 P213 L285 F287 V292 E294 E298 I299 L300 F364	F211-I296 HydrophobicContact CE1-CG2 3.77Å; F211-I296 HydrophobicContact CZ-CG2 3.78Å; P213-I296 HydrophobicContact CB-CG2 4.47Å; L285-I296 HydrophobicContact CD1-CD1 3.93Å; F287-I296 HydrophobicContact CE1-CG1 4.09Å; F287-I296 HydrophobicContact CZ-CD1 4.46Å; F287-I296 HydrophobicContact CZ-CG1 3.92Å; V292-I296 WeakPolarHBondContact O-CG1 3.36Å; V292-I296 PolarHBondContact O-N 3.22Å; V292-I296 VanDerWaalsContact O-N 3.09Å; E294-I296 VanDerWaalsContact C-N 3.29Å; E294-I296 PolarHBondContact O-N 2.79Å; I296-E298 VanDerWaalsContact C-N 3.34Å; I296-E298 PolarHBondContact O-N 3.33Å; I296-I299 HydrophobicContact CD1-CD1 4.28Å; I296-I299 PolarHBondContact O-N 3.31Å; I296-L300 PolarHBondContact O-N 2.93Å; I296-L300 VanDerWaalsContact O-N 3.11Å; I296-F364 HydrophobicContact CB-CE1 4.47Å; I296-F364 HydrophobicContact CG2-CD1 4.4Å; I296-F364 HydrophobicContact CG2-CE1 3.49Å; I296-F364 VanDerWaalsContact CG2-CE1 3.49Å; I296-F364 HydrophobicContact CG2-CZ 3.66Å
297	K	98.9	Very high	98.8	Very high	36 Å²	36	40 Å²	40	16%	0.157	20%	0.197	C	C	.	.	H	α-helix	trans	-64.1	-38.3	174.8	-71.1	171.7	-173.4	168.3	0	112.1	Q293 E294 I299 L300 R301 T367	Q293-K297 WeakPolarHBondContact O-CG 3.37Å; Q293-K297 PolarHBondContact O-N 3.38Å; Q293-K297 VanDerWaalsContact O-N 3.13Å; E294-K297 PolarHBondContact O-N 2.72Å; E294-K297 VanDerWaalsContact O-N 3.15Å; K297-I299 VanDerWaalsContact C-N 3.3Å; K297-I299 PolarHBondContact O-N 2.79Å; K297-L300 WeakPolarHBondContact O-CB 3.16Å; K297-L300 PolarHBondContact O-N 3.18Å; K297-R301 WeakPolarHBondContact O-CG 3.4Å; K297-R301 PolarHBondContact O-N 3.14Å; K297-T367 HydrophobicContact CB-CG2 4.19Å; K297-T367 HydrophobicContact CG-CG2 4.36Å
298	E	98.9	Very high	98.8	Very high	76 Å²	76	39.9 Å²	39.9	36%	0.355	20%	0.197	S	C	.	.	H	α-helix	trans	-63.3	-35.8	175	-74.8	-63.5	120.8	0	0	112.4	E294 E295 I296 R301 F302	E294-E298 WeakPolarHBondContact O-CG 3.28Å; E294-E298 PolarHBondContact O-N 3.29Å; E295-E298 PolarHBondContact O-N 3.37Å; I296-E298 VanDerWaalsContact C-N 3.34Å; I296-E298 PolarHBondContact O-N 3.33Å; E298-R301 PolarHBondContact O-N 2.92Å; E298-R301 WeakPolarHBondContact OE1-CD 3.18Å; E298-R301 IonicContact OE1-CZ 3.86Å; E298-R301 IonicContact OE1-NE 3.75Å; E298-R301 IonicContact OE1-NH1 3.67Å; E298-R301 PolarHBondContact OE1-NH1 3.19Å; E298-F302 WeakPolarHBondContact O-CB 3.3Å; E298-F302 PolarHBondContact O-N 3.17Å
299	I	98.9	Very high	98.8	Very high	3 Å²	3	34.4 Å²	34.4	2%	0.015	18%	0.176	C	C	.	.	H	α-helix	trans	-66.7	-43.1	173.7	-63.3	159.7	0	0	0	110.9	F180 F211 W222 E295 I296 K297 R301 F302 W303	F180-I299 HydrophobicContact CB-CD1 3.65Å; F180-I299 HydrophobicContact CB-CG1 4.02Å; F180-I299 HydrophobicContact CB-CG2 3.76Å; F180-I299 HydrophobicContact CD2-CD1 3.72Å; F180-I299 HydrophobicContact CE2-CD1 4.5Å; F180-I299 HydrophobicContact CG-CD1 3.76Å; F180-I299 HydrophobicContact CG-CG2 4.49Å; F211-I299 HydrophobicContact CE2-CB 4.22Å; F211-I299 HydrophobicContact CE2-CG2 3.61Å; F211-I299 HydrophobicContact CZ-CB 4.45Å; F211-I299 HydrophobicContact CZ-CG2 4.31Å; W222-I299 HydrophobicContact CH2-CD1 3.91Å; E295-I299 WeakPolarHBondContact O-CG1 3.44Å; E295-I299 PolarHBondContact O-N 2.7Å; E295-I299 VanDerWaalsContact O-N 3.08Å; I296-I299 HydrophobicContact CD1-CD1 4.28Å; I296-I299 PolarHBondContact O-N 3.31Å; K297-I299 VanDerWaalsContact C-N 3.3Å; K297-I299 PolarHBondContact O-N 2.79Å; I299-R301 VanDerWaalsContact C-N 3.34Å; I299-R301 PolarHBondContact O-N 3.08Å; I299-F302 WeakPolarHBondContact O-CB 3.41Å; I299-F302 PolarHBondContact O-N 3.09Å; I299-W303 VanDerWaalsContact O-CD1 3.28Å; I299-W303 PolarHBondContact O-N 2.95Å
300	L	98.8	Very high	98.8	Very high	0 Å²	0	33.4 Å²	33.4	0%	0	17%	0.171	C	C	.	.	H	α-helix	trans	-57.3	-47.8	173.7	-69.7	170.9	0	0	0	111	F211 I296 K297 F302 W303 L304 F311 F364	F211-L300 HydrophobicContact CD1-CD2 3.89Å; F211-L300 HydrophobicContact CD2-CD2 4.27Å; F211-L300 HydrophobicContact CE1-CD1 4.47Å; F211-L300 HydrophobicContact CE1-CD2 3.77Å; F211-L300 HydrophobicContact CE1-CG 4.02Å; F211-L300 HydrophobicContact CE2-CD2 4.21Å; F211-L300 HydrophobicContact CG-CD2 4.11Å; F211-L300 HydrophobicContact CZ-CD2 3.94Å; F211-L300 HydrophobicContact CZ-CG 3.97Å; I296-L300 PolarHBondContact O-N 2.93Å; I296-L300 VanDerWaalsContact O-N 3.11Å; K297-L300 WeakPolarHBondContact O-CB 3.16Å; K297-L300 PolarHBondContact O-N 3.18Å; L300-F302 VanDerWaalsContact C-N 3.3Å; L300-F302 PolarHBondContact O-N 3.48Å; L300-W303 PolarHBondContact O-N 3.32Å; L300-L304 WeakPolarHBondContact O-CB 3.38Å; L300-L304 VanDerWaalsContact O-CG 3.23Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L304 PolarHBondContact O-N 2.97Å; L300-F311 HydrophobicContact CD2-CD1 4.39Å; L300-F311 HydrophobicContact CD2-CD2 3.75Å; L300-F311 HydrophobicContact CD2-CE1 4.33Å; L300-F311 HydrophobicContact CD2-CE2 3.69Å; L300-F311 HydrophobicContact CD2-CG 4.12Å; L300-F311 HydrophobicContact CD2-CZ 4Å; L300-F364 HydrophobicContact CD1-CB 3.96Å; L300-F364 HydrophobicContact CD1-CD1 3.84Å; L300-F364 HydrophobicContact CD1-CG 4.04Å
301	R	98.9	Very high	98.8	Very high	47 Å²	47	29.2 Å²	29.2	18%	0.177	14%	0.144	C	C	.	.	H	α-helix	trans	-59.6	-39	177.8	-69.5	176	-171.8	120.4	2.3	112.3	E294 K297 E298 I299 T305 T367 Y371	E294-R301 IonicContact OE1-CZ 2.9Å; E294-R301 IonicContact OE1-NH1 2.84Å; E294-R301 PolarHBondContact OE1-NH1 3.25Å; E294-R301 IonicContact OE1-NH2 3.31Å; K297-R301 WeakPolarHBondContact O-CG 3.4Å; K297-R301 PolarHBondContact O-N 3.14Å; E298-R301 PolarHBondContact O-N 2.92Å; E298-R301 WeakPolarHBondContact OE1-CD 3.18Å; E298-R301 IonicContact OE1-CZ 3.86Å; E298-R301 IonicContact OE1-NE 3.75Å; E298-R301 IonicContact OE1-NH1 3.67Å; E298-R301 PolarHBondContact OE1-NH1 3.19Å; I299-R301 VanDerWaalsContact C-N 3.34Å; I299-R301 PolarHBondContact O-N 3.08Å; R301-T305 WeakPolarHBondContact O-CB 3.4Å; R301-T305 PolarHBondContact O-N 2.78Å; R301-T305 PolarHBondContact O-OG1 2.85Å; R301-T367 HydrophobicContact CG-CG2 4.07Å; R301-Y371 HydrophobicContact CG-CE2 4.11Å
302	F	98.9	Very high	98.8	Very high	50 Å²	50	25.9 Å²	25.9	22%	0.219	13%	0.126	C	C	.	.	H	α-helix	trans	-57.7	-53.2	177.1	173.5	-94.9	0	0	0	111.6	R181 M190 E298 I299 L300 T305 K306	R181-F302 HydrophobicContact CB-CD1 4.23Å; R181-F302 HydrophobicContact CB-CE1 3.9Å; R181-F302 HydrophobicContact CB-CE2 4.34Å; R181-F302 HydrophobicContact CB-CZ 3.95Å; R181-F302 HydrophobicContact CG-CD1 4.13Å; R181-F302 HydrophobicContact CG-CD2 4.48Å; R181-F302 HydrophobicContact CG-CE1 4.32Å; R181-F302 HydrophobicContact CG-CG 4.22Å; R181-F302 WeakPolarHBondContact O-CZ 3.44Å; M190-F302 HydrophobicContact CE-CE1 4.17Å; M190-F302 HydrophobicContact CE-CZ 4Å; E298-F302 WeakPolarHBondContact O-CB 3.3Å; E298-F302 PolarHBondContact O-N 3.17Å; I299-F302 WeakPolarHBondContact O-CB 3.41Å; I299-F302 PolarHBondContact O-N 3.09Å; L300-F302 VanDerWaalsContact C-N 3.3Å; L300-F302 PolarHBondContact O-N 3.48Å; F302-T305 WeakPolarHBondContact O-CB 3.22Å; F302-T305 PolarHBondContact O-N 2.62Å; F302-K306 HydrophobicContact CE1-CG 4.49Å; F302-K306 WeakPolarHBondContact O-CG 3.39Å; F302-K306 PolarHBondContact O-N 3.29Å
303	W	98.9	Very high	98.8	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	13%	0.126	C	C	.	.	H	α-helix	trans	-71.6	-35.1	-178	-69.7	109.3	0	0	0	113.3	F165 Y166 F180 M190 F193 I209 I299 L300 T305 K306 G307 V308 F311	F165-W303 AromaticContact CE2-CH2 3.78Å; F165-W303 HydrophobicContact CE2-CH2 3.78Å; F165-W303 HydrophobicContact CE2-CZ3 4.02Å; F165-W303 HydrophobicContact CZ-CH2 4.35Å; F165-W303 HydrophobicContact CZ-CZ3 4.23Å; Y166-W303 AromaticContact CD1-CZ2 3.87Å; Y166-W303 HydrophobicContact CD1-CZ2 3.87Å; Y166-W303 AromaticContact CE1-CE2 3.6Å; Y166-W303 HydrophobicContact CE1-CH2 4.5Å; Y166-W303 AromaticContact CE1-CZ2 3.56Å; Y166-W303 HydrophobicContact CE1-CZ2 3.56Å; Y166-W303 AromaticContact CE1-NE1 3.51Å; F180-W303 WeakPolarHBondContact O-CZ2 3.22Å; F180-W303 PolarHBondContact O-NE1 3.05Å; M190-W303 HydrophobicContact CE-CH2 3.82Å; M190-W303 HydrophobicContact CE-CZ3 4.28Å; M190-W303 HydrophobicContact SD-CZ3 4.4Å; F193-W303 HydrophobicContact CD1-CE3 4.5Å; F193-W303 AromaticContact CD1-CZ3 3.83Å; F193-W303 HydrophobicContact CD1-CZ3 3.83Å; F193-W303 HydrophobicContact CD2-CZ3 4.37Å; F193-W303 AromaticContact CE1-CE3 3.76Å; F193-W303 HydrophobicContact CE1-CE3 3.76Å; F193-W303 AromaticContact CE1-CZ3 3.52Å; F193-W303 HydrophobicContact CE1-CZ3 3.52Å; F193-W303 HydrophobicContact CE2-CZ3 4.11Å; F193-W303 HydrophobicContact CG-CZ3 4.24Å; F193-W303 AromaticContact CZ-CE3 3.78Å; F193-W303 HydrophobicContact CZ-CE3 3.78Å; F193-W303 AromaticContact CZ-CZ3 3.67Å; F193-W303 HydrophobicContact CZ-CZ3 3.67Å; I209-W303 HydrophobicContact CD1-CB 4.33Å; I209-W303 HydrophobicContact CD1-CD2 4.04Å; I209-W303 HydrophobicContact CD1-CE3 4.16Å; I209-W303 HydrophobicContact CD1-CG 4.11Å; I299-W303 VanDerWaalsContact O-CD1 3.28Å; I299-W303 PolarHBondContact O-N 2.95Å; L300-W303 PolarHBondContact O-N 3.32Å; W303-T305 VanDerWaalsContact C-N 3.29Å; W303-T305 PolarHBondContact O-N 2.82Å; W303-K306 WeakPolarHBondContact O-CB 3.06Å; W303-K306 PolarHBondContact O-N 3.17Å; W303-G307 PolarHBondContact O-N 2.88Å; W303-V308 HydrophobicContact CB-CG2 4.24Å; W303-V308 HydrophobicContact CE3-CG2 4.44Å; W303-V308 WeakPolarHBondContact O-CB 3.44Å; W303-V308 WeakPolarHBondContact O-CG2 3.36Å; W303-V308 PolarHBondContact O-N 2.95Å; W303-F311 HydrophobicContact CB-CE1 3.8Å; W303-F311 HydrophobicContact CB-CZ 3.71Å; W303-F311 HydrophobicContact CG-CE1 4.42Å
304	L	98.9	Very high	98.6	Very high	3 Å²	3	24 Å²	24	2%	0.016	12%	0.118	C	C	.	.	H	α-helix	trans	-61.2	-39	171.8	-71	170.4	0	0	0	111.9	L300 K306 G307 F311 M368 Y371 R379	L300-L304 WeakPolarHBondContact O-CB 3.38Å; L300-L304 VanDerWaalsContact O-CG 3.23Å; L300-L304 WeakPolarHBondContact O-CG 3.31Å; L300-L304 PolarHBondContact O-N 2.97Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3Å; L304-G307 PolarHBondContact O-N 2.92Å; L304-G307 VanDerWaalsContact O-N 3.11Å; L304-F311 HydrophobicContact CD1-CE2 4.36Å; L304-F311 HydrophobicContact CD2-CE2 3.72Å; L304-F311 HydrophobicContact CD2-CZ 4.3Å; L304-F311 HydrophobicContact CG-CE2 3.77Å; L304-F311 HydrophobicContact CG-CZ 4.11Å; L304-M368 HydrophobicContact CD1-CB 4.49Å; L304-M368 HydrophobicContact CD1-CG 4.08Å; L304-Y371 HydrophobicContact CB-CD1 3.79Å; L304-Y371 HydrophobicContact CB-CD2 4.35Å; L304-Y371 HydrophobicContact CB-CE1 3.97Å; L304-Y371 HydrophobicContact CB-CG 3.98Å; L304-Y371 HydrophobicContact CD1-CD2 3.73Å; L304-Y371 HydrophobicContact CD1-CE2 4.21Å; L304-Y371 HydrophobicContact CD1-CG 3.94Å; L304-Y371 HydrophobicContact CG-CG 4.47Å; L304-R379 HydrophobicContact CD2-CB 4.13Å; L304-R379 HydrophobicContact CD2-CG 3.78Å
305	T	98.8	Very high	98.4	Very high	100 Å²	100	20.4 Å²	20.4	61%	0.613	10%	0.102	S	C	*	.	H	α-helix	trans	-66.2	-33.5	177.2	-57.6	0	0	0	0	111.7	R301 F302 W303 G307 Y371	R301-T305 WeakPolarHBondContact O-CB 3.4Å; R301-T305 PolarHBondContact O-N 2.78Å; R301-T305 PolarHBondContact O-OG1 2.85Å; F302-T305 WeakPolarHBondContact O-CB 3.22Å; F302-T305 PolarHBondContact O-N 2.62Å; W303-T305 VanDerWaalsContact C-N 3.29Å; W303-T305 PolarHBondContact O-N 2.82Å; T305-G307 PolarHBondContact O-N 2.91Å; T305-Y371 PolarHBondContact OG1-OH 3.1Å
306	K	98.8	Very high	98.3	Very high	56 Å²	56	18.9 Å²	18.9	24%	0.243	9%	0.094	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.2	-10.1	173.9	-66	-83.2	-179.5	166	0	113.7	M190 F193 E194 F302 W303 L304	M190-K306 VanDerWaalsContact CG-NZ 3.35Å; M190-K306 HydrophobicContact SD-CD 4.16Å; M190-K306 PolarHBondContact SD-NZ 3.07Å; F193-K306 HydrophobicContact CE1-CB 4.01Å; E194-K306 HydrophobicContact CG-CD 4.21Å; E194-K306 IonicContact OE1-NZ 3.93Å; E194-K306 PolarHBondContact OE1-NZ 3.34Å; F302-K306 HydrophobicContact CE1-CG 4.49Å; F302-K306 WeakPolarHBondContact O-CG 3.39Å; F302-K306 PolarHBondContact O-N 3.29Å; W303-K306 WeakPolarHBondContact O-CB 3.06Å; W303-K306 PolarHBondContact O-N 3.17Å; L304-K306 VanDerWaalsContact C-N 3.3Å; L304-K306 PolarHBondContact O-N 3Å
307	G	98.6	Very high	98.3	Very high	8 Å²	8	20 Å²	20	8%	0.082	10%	0.099	C	C	.	.	T	Hydrogen-bonded Turn	trans	108.9	0.4	172.6	0	0	0	0	0	115.5	H201 W303 L304 T305 D309 R379	H201-G307 PolarHBondContact CE1-O 3.36Å; H201-G307 VanDerWaalsContact CE1-O 3.26Å; W303-G307 PolarHBondContact O-N 2.88Å; L304-G307 PolarHBondContact O-N 2.92Å; L304-G307 VanDerWaalsContact O-N 3.11Å; T305-G307 PolarHBondContact O-N 2.91Å; G307-D309 PolarHBondContact O-N 3.03Å; G307-R379 PolarHBondContact O-NH1 3.24Å
308	V	98.8	Very high	98.2	Very high	0 Å²	0	19 Å²	19	0%	0	10%	0.095	C	C	.	.			trans	-53.2	132.1	176.3	173.6	0	0	0	0	111.2	F193 I209 W303 G310 F311 R379	F193-V308 HydrophobicContact CE1-CG2 4.4Å; F193-V308 HydrophobicContact CZ-CG2 3.68Å; I209-V308 HydrophobicContact CD1-CG1 4.3Å; I209-V308 HydrophobicContact CD1-CG2 4.03Å; I209-V308 HydrophobicContact CG1-CG1 4.04Å; I209-V308 HydrophobicContact CG2-CG1 4.47Å; W303-V308 HydrophobicContact CB-CG2 4.24Å; W303-V308 HydrophobicContact CE3-CG2 4.44Å; W303-V308 WeakPolarHBondContact O-CB 3.44Å; W303-V308 WeakPolarHBondContact O-CG2 3.36Å; W303-V308 PolarHBondContact O-N 2.95Å; V308-G310 WeakPolarHBondContact CG1-O 3.25Å; V308-F311 HydrophobicContact CG1-CE1 4.17Å; V308-F311 HydrophobicContact CG1-CZ 4.29Å; V308-R379 PolarHBondContact O-NH1 3.2Å
309	D	98.9	Very high	98.2	Very high	0 Å²	0	15.5 Å²	15.5	0%	0	8%	0.079	C	C	.	.			trans	-87	-9.6	-176.3	-61	-81.2	0	0	0	113.1	W117 H201 K206 L207 G307 R379 F380	W117-D309 HydrophobicContact CH2-CB 4.11Å; W117-D309 HydrophobicContact CZ2-CB 3.99Å; W117-D309 WeakPolarHBondContact CZ2-O 3.13Å; H201-D309 IonicContact CD2-OD2 3.73Å; H201-D309 IonicContact CE1-OD2 2.82Å; H201-D309 IonicContact NE2-OD1 2.58Å; H201-D309 IonicContact NE2-OD2 3.45Å; H201-D309 PolarHBondContact NE2-OD2 3.24Å; K206-D309 WeakPolarHBondContact CA-OD2 3.33Å; K206-D309 HydrophobicContact CB-CB 4.28Å; K206-D309 HydrophobicContact CD-CB 3.93Å; K206-D309 VanDerWaalsContact CD-OD1 3.23Å; K206-D309 WeakPolarHBondContact CD-OD1 3.25Å; K206-D309 WeakPolarHBondContact CD-OD2 3.49Å; K206-D309 IonicContact NZ-OD1 2.75Å; K206-D309 PolarHBondContact NZ-OD1 2.98Å; L207-D309 PolarHBondContact N-OD2 3.25Å; L207-D309 WeakPolarHBondContact O-CA 3.38Å; L207-D309 WeakPolarHBondContact O-CB 3.45Å; L207-D309 PolarHBondContact O-N 3.17Å; G307-D309 PolarHBondContact O-N 3.03Å; D309-R379 CarbonylContact O-C 3.37Å; D309-R379 WeakPolarHBondContact O-CA 3.47Å; D309-F380 PolarHBondContact O-N 3.41Å
310	G	98.8	Very high	98.2	Very high	0 Å²	0	15.8 Å²	15.8	0%	0	8%	0.08	C	C	.	.	E	Extended strand (participates in β ladder)	trans	174.1	179.3	175	0	0	0	0	0	114.8	L207 I208 I209 V308 F380	L207-G310 PolarHBondContact O-N 3.49Å; I208-G310 VanDerWaalsContact CA-O 3.3Å; I208-G310 WeakPolarHBondContact CA-O 3.27Å; I209-G310 PolarHBondContact N-O 2.79Å; V308-G310 WeakPolarHBondContact CG1-O 3.25Å; G310-F380 CarbonylContact C-O 3.5Å; G310-F380 WeakPolarHBondContact CA-O 3.47Å
311	F	98.9	Very high	98.2	Very high	0 Å²	0	16.4 Å²	16.4	0%	0	8%	0.083	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	145.2	-179	-58.7	-80.4	0	0	0	112.5	I209 F211 L300 W303 L304 V308 L313 M368 F380 G382	I209-F311 HydrophobicContact CD1-CD1 4.31Å; I209-F311 HydrophobicContact CD1-CE1 3.93Å; I209-F311 HydrophobicContact CG1-CD1 3.7Å; I209-F311 HydrophobicContact CG1-CE1 3.81Å; I209-F311 VanDerWaalsContact O-CA 3.29Å; I209-F311 WeakPolarHBondContact O-CA 3.17Å; F211-F311 HydrophobicContact CB-CB 4.24Å; F211-F311 HydrophobicContact CB-CD1 4.06Å; F211-F311 HydrophobicContact CB-CG 4.43Å; L300-F311 HydrophobicContact CD2-CD1 4.39Å; L300-F311 HydrophobicContact CD2-CD2 3.75Å; L300-F311 HydrophobicContact CD2-CE1 4.33Å; L300-F311 HydrophobicContact CD2-CE2 3.69Å; L300-F311 HydrophobicContact CD2-CG 4.12Å; L300-F311 HydrophobicContact CD2-CZ 4Å; W303-F311 HydrophobicContact CB-CE1 3.8Å; W303-F311 HydrophobicContact CB-CZ 3.71Å; W303-F311 HydrophobicContact CG-CE1 4.42Å; L304-F311 HydrophobicContact CD1-CE2 4.36Å; L304-F311 HydrophobicContact CD2-CE2 3.72Å; L304-F311 HydrophobicContact CD2-CZ 4.3Å; L304-F311 HydrophobicContact CG-CE2 3.77Å; L304-F311 HydrophobicContact CG-CZ 4.11Å; V308-F311 HydrophobicContact CG1-CE1 4.17Å; V308-F311 HydrophobicContact CG1-CZ 4.29Å; F311-L313 HydrophobicContact CB-CD2 4.11Å; F311-M368 HydrophobicContact CD2-CE 3.77Å; F311-M368 HydrophobicContact CD2-SD 4.01Å; F311-M368 HydrophobicContact CE2-CE 4.43Å; F311-F380 PolarHBondContact N-O 2.68Å; F311-G382 PolarHBondContact O-N 3.17Å
312	S	98.8	Very high	98.2	Very high	0 Å²	0	14.4 Å²	14.4	0%	0	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-96.1	115.9	157.9	-171.5	0	0	0	0	108.9	W161 I209 D210 F211 E384 F409	W161-S312 WeakPolarHBondContact CZ2-OG 3.31Å; I209-S312 PolarHBondContact O-N 3.28Å; D210-S312 CarbonylContact C-O 3.53Å; F211-S312 PolarHBondContact N-O 2.88Å; S312-E384 VanDerWaalsContact OG-CD 3.3Å; S312-E384 WeakPolarHBondContact OG-CG 3.42Å; S312-E384 PolarHBondContact OG-OE1 3.1Å; S312-F409 WeakPolarHBondContact OG-CE2 3.42Å
313	L	98.4	Very high	98.1	Very high	0 Å²	0	20.5 Å²	20.5	0%	0	10%	0.103	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.4	110.6	179.7	-53.4	-174.5	0	0	0	110.1	F211 F311 V316 V361 F364 M381 G382 T383 E384	F211-L313 HydrophobicContact CB-CD2 3.99Å; F211-L313 HydrophobicContact CD1-CD2 3.66Å; F211-L313 HydrophobicContact CG-CD2 4.26Å; F311-L313 HydrophobicContact CB-CD2 4.11Å; L313-V316 HydrophobicContact CB-CG1 3.53Å; L313-V316 HydrophobicContact CD1-CG1 4.3Å; L313-V361 HydrophobicContact CD1-CG1 4.36Å; L313-F364 HydrophobicContact CD1-CD2 3.89Å; L313-M381 HydrophobicContact CD1-CE 4.41Å; L313-M381 HydrophobicContact CD1-CG 3.89Å; L313-M381 HydrophobicContact CD1-SD 3.75Å; L313-M381 HydrophobicContact CG-CG 4.09Å; L313-G382 PolarHBondContact N-O 3.39Å; L313-T383 HydrophobicContact CB-CG2 4.21Å; L313-T383 HydrophobicContact CD1-CG2 4.08Å; L313-T383 HydrophobicContact CG-CG2 4.45Å; L313-E384 PolarHBondContact O-N 3.16Å
314	D	95.1	Very high	98.1	Very high	12 Å²	12	24 Å²	24	6%	0.064	12%	0.119	C	C	.	.			trans	-82.3	149.3	178.8	-172.1	36.2	0	0	0	112	R174 F211 V316	R174-D314 VanDerWaalsContact CD-OD2 3.26Å; R174-D314 WeakPolarHBondContact CD-OD2 3.42Å; R174-D314 IonicContact NH1-OD1 2.84Å; F211-D314 PolarHBondContact O-N 3.12Å; D314-V316 PolarHBondContact O-N 2.86Å
315	A	93.6	Very high	98.1	Very high	5 Å²	5	25.5 Å²	25.5	4%	0.041	13%	0.128	C	C	.	.	S	Bend	trans	54.5	26.1	169.9	0	0	0	0	0	116.4	N214 F278 K317 F318	N214-A315 HydrophobicContact CB-CB 4.46Å; F278-A315 HydrophobicContact CE2-CB 4.05Å; F278-A315 HydrophobicContact CZ-CB 3.8Å; A315-K317 PolarHBondContact O-N 3.33Å; A315-K317 VanDerWaalsContact O-N 3.07Å; A315-F318 HydrophobicContact CB-CD2 4.04Å; A315-F318 WeakPolarHBondContact O-CB 3.37Å; A315-F318 PolarHBondContact O-N 3.27Å
316	V	97.1	Very high	98.1	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	12%	0.124	C	C	.	.	G	3₁₀ helix	trans	-59.2	-28.2	-173.1	-65.7	0	0	0	0	114.5	L313 D314 F318 L319 M357 V361 T383 Y396	L313-V316 HydrophobicContact CB-CG1 3.53Å; L313-V316 HydrophobicContact CD1-CG1 4.3Å; D314-V316 PolarHBondContact O-N 2.86Å; V316-F318 PolarHBondContact O-N 3.49Å; V316-L319 HydrophobicContact CB-CD1 4.15Å; V316-L319 HydrophobicContact CG1-CD1 4.43Å; V316-L319 WeakPolarHBondContact O-CB 3.34Å; V316-L319 WeakPolarHBondContact O-CD1 3.46Å; V316-L319 WeakPolarHBondContact O-CG 3.49Å; V316-L319 PolarHBondContact O-N 3.04Å; V316-M357 VanDerWaalsContact O-CG 3.29Å; V316-M357 WeakPolarHBondContact O-CG 3.32Å; V316-V361 HydrophobicContact CB-CG2 4.23Å; V316-V361 HydrophobicContact CG1-CG2 4.38Å; V316-T383 HydrophobicContact CG1-CG2 4.41Å; V316-T383 HydrophobicContact CG2-CG2 4.32Å; V316-Y396 HydrophobicContact CG2-CD1 4.37Å; V316-Y396 HydrophobicContact CG2-CE1 3.55Å
317	K	97.9	Very high	98.1	Very high	24 Å²	24	29.3 Å²	29.3	10%	0.104	14%	0.136	C	C	.	.	G	3₁₀ helix	trans	-66.3	-16.3	178.2	74.8	-179.7	-174.3	-178.7	0	113.9	A315 T352 T353 Y386	A315-K317 PolarHBondContact O-N 3.33Å; A315-K317 VanDerWaalsContact O-N 3.07Å; K317-T352 CarbonylContact O-C 3.48Å; K317-T352 WeakPolarHBondContact O-CA 3.2Å; K317-T353 PolarHBondContact O-N 3.22Å; K317-Y386 PolarHBondContact NZ-O 3.33Å
318	F	98.6	Very high	98.1	Very high	15 Å²	15	29.3 Å²	29.3	7%	0.066	13%	0.134	C	C	.	.	G	3₁₀ helix	trans	-97	2.2	-178.4	-62.3	-75.3	0	0	0	113.5	N214 V258 Q277 F278 A315 V316 L320 T352	N214-F318 PolarHBondContact OD1-O 2.9Å; V258-F318 HydrophobicContact CG2-CE1 4.02Å; V258-F318 HydrophobicContact CG2-CZ 3.92Å; Q277-F318 HydrophobicContact CB-CD1 4.48Å; Q277-F318 HydrophobicContact CG-CB 4.18Å; Q277-F318 HydrophobicContact CG-CD1 4.24Å; F278-F318 HydrophobicContact CE1-CE2 4.34Å; F278-F318 AromaticContact CZ-CD2 3.84Å; F278-F318 HydrophobicContact CZ-CD2 3.84Å; F278-F318 HydrophobicContact CZ-CE2 4.04Å; F278-F318 HydrophobicContact CZ-CG 4.4Å; A315-F318 HydrophobicContact CB-CD2 4.04Å; A315-F318 WeakPolarHBondContact O-CB 3.37Å; A315-F318 PolarHBondContact O-N 3.27Å; V316-F318 PolarHBondContact O-N 3.49Å; F318-L320 PolarHBondContact O-N 2.98Å; F318-L320 VanDerWaalsContact O-N 3.1Å; F318-T352 HydrophobicContact CD1-CG2 3.81Å; F318-T352 HydrophobicContact CE1-CG2 3.56Å; F318-T352 HydrophobicContact CZ-CG2 4.43Å
319	L	98.4	Very high	98.1	Very high	2 Å²	2	33 Å²	33	1%	0.01	15%	0.153	C	C	.	.	S	Bend	trans	-63	-19.9	-173.6	-73.9	170.5	0	0	0	115.5	P213 N214 F287 V316 M357 I360 V361	P213-L319 HydrophobicContact CB-CD2 4.04Å; P213-L319 HydrophobicContact CG-CD2 4.02Å; N214-L319 HydrophobicContact CB-CD2 4.48Å; N214-L319 WeakPolarHBondContact OD1-CA 3.32Å; N214-L319 PolarHBondContact OD1-N 2.84Å; F287-L319 HydrophobicContact CD2-CD2 3.74Å; F287-L319 HydrophobicContact CE1-CD2 4.21Å; F287-L319 HydrophobicContact CE2-CD2 3.37Å; F287-L319 HydrophobicContact CG-CD2 4.3Å; F287-L319 HydrophobicContact CZ-CD2 3.64Å; V316-L319 HydrophobicContact CB-CD1 4.15Å; V316-L319 HydrophobicContact CG1-CD1 4.43Å; V316-L319 WeakPolarHBondContact O-CB 3.34Å; V316-L319 WeakPolarHBondContact O-CD1 3.46Å; V316-L319 WeakPolarHBondContact O-CG 3.49Å; V316-L319 PolarHBondContact O-N 3.04Å; L319-M357 HydrophobicContact CB-CG 4.18Å; L319-M357 HydrophobicContact CD1-CG 4.38Å; L319-I360 HydrophobicContact CD1-CG2 4.15Å; L319-V361 HydrophobicContact CD1-CG2 4.41Å
320	L	98.8	Very high	98	Very high	9 Å²	9	34.3 Å²	34.3	5%	0.047	16%	0.159	C	C	.	.			trans	-143.2	138.6	-175.6	-74	178.9	0	0	0	110.9	F287 R288 F318 Q354 M357 I360	F287-L320 HydrophobicContact CB-CD2 3.9Å; R288-L320 HydrophobicContact CG-CD2 3.8Å; F318-L320 PolarHBondContact O-N 2.98Å; F318-L320 VanDerWaalsContact O-N 3.1Å; L320-Q354 HydrophobicContact CB-CB 3.92Å; L320-Q354 HydrophobicContact CB-CG 4.41Å; L320-Q354 WeakPolarHBondContact O-CG 3.25Å; L320-M357 HydrophobicContact CD1-CB 4.33Å; L320-I360 HydrophobicContact CD1-CD1 3.81Å; L320-I360 HydrophobicContact CD2-CD1 4.16Å; L320-I360 HydrophobicContact CG-CD1 3.85Å
321	E	98.8	Very high	98	Very high	13 Å²	13	37.4 Å²	37.4	6%	0.061	18%	0.178	C	C	.	.			trans	-118.1	161	172.2	-55.4	68	-147.3	0	0	111.6	I238 W255 F275 Q277 R288 K323 F350 T351	I238-E321 VanDerWaalsContact CD1-OE2 3.28Å; I238-E321 WeakPolarHBondContact CD1-OE2 3.14Å; W255-E321 HydrophobicContact CH2-CB 3.77Å; W255-E321 HydrophobicContact CZ3-CB 3.79Å; W255-E321 HydrophobicContact CZ3-CG 4.11Å; F275-E321 HydrophobicContact CD1-CG 4.33Å; F275-E321 HydrophobicContact CE1-CG 3.49Å; F275-E321 VanDerWaalsContact CE1-CG 3.49Å; F275-E321 WeakPolarHBondContact CE1-OE1 3.43Å; F275-E321 HydrophobicContact CZ-CG 3.64Å; Q277-E321 PolarHBondContact NE2-OE1 3.03Å; R288-E321 PolarHBondContact NH2-O 2.74Å; E321-K323 PolarHBondContact O-N 3.14Å; E321-F350 CarbonylContact C-O 3.56Å; E321-F350 VanDerWaalsContact CA-O 3.28Å; E321-F350 WeakPolarHBondContact CA-O 3.32Å; E321-T351 HydrophobicContact CG-CG2 4.29Å
322	A	98.6	Very high	97.9	Very high	6 Å²	6	41.3 Å²	41.3	5%	0.05	20%	0.199	C	C	.	.			trans	-70.8	115.9	179.6	0	0	0	0	0	112.3	W255 H324 L325 F350	W255-A322 WeakPolarHBondContact CH2-O 3.31Å; A322-H324 WeakPolarHBondContact CB-NE2 3.34Å; A322-H324 PolarHBondContact O-N 3.3Å; A322-L325 PolarHBondContact O-N 3.42Å; A322-F350 HydrophobicContact CB-CB 3.73Å; A322-F350 HydrophobicContact CB-CD1 3.97Å; A322-F350 HydrophobicContact CB-CG 4.12Å; A322-F350 PolarHBondContact N-O 3.15Å
323	K	97.7	Very high	97.8	Very high	177 Å²	177	48.8 Å²	48.8	77%	0.77	23%	0.231	S	C	*	.	T	Hydrogen-bonded Turn	trans	-61.2	-12.9	-179.3	66.6	180	179.3	-179	0	116	E321 L325	E321-K323 PolarHBondContact O-N 3.14Å; K323-L325 VanDerWaalsContact C-N 3.27Å
324	H	98.3	Very high	97.7	Very high	73 Å²	73	54.7 Å²	54.7	34%	0.338	27%	0.267	S	S	.	.	T	Hydrogen-bonded Turn	trans	-82.9	-6.4	177.7	62	57.1	0	0	0	112.8	A322 R326 F350	A322-H324 WeakPolarHBondContact CB-NE2 3.34Å; A322-H324 PolarHBondContact O-N 3.3Å; H324-R326 VanDerWaalsContact CD2-CZ 3.47Å; H324-R326 PolarHBondContact CD2-NH2 2.97Å; H324-R326 PolarHBondContact CE1-NE 3.08Å; H324-R326 PolarHBondContact CE1-NH2 2.78Å; H324-R326 VanDerWaalsContact CG-CZ 3.48Å; H324-R326 WeakPolarHBondContact ND1-CB 3.44Å; H324-R326 WeakPolarHBondContact ND1-CG 3.24Å; H324-R326 PolarHBondContact ND1-N 3.4Å; H324-R326 VanDerWaalsContact ND1-N 3.12Å; H324-R326 PolarHBondContact ND1-NE 3.28Å; H324-R326 PolarHBondContact NE2-NH2 3.41Å; H324-R326 PolarHBondContact O-N 3.03Å; H324-R326 VanDerWaalsContact O-N 3.1Å; H324-F350 AromaticContact CE1-CD1 3.54Å; H324-F350 AromaticContact CE1-CE1 3.64Å; H324-F350 AromaticContact CE1-CG 3.81Å; H324-F350 AromaticContact CE1-CZ 3.98Å; H324-F350 AromaticContact NE2-CD1 3.68Å; H324-F350 AromaticContact NE2-CE1 3.67Å
325	L	98.3	Very high	97.8	Very high	36 Å²	36	56.1 Å²	56.1	19%	0.188	27%	0.274	C	S	.	.			trans	49.6	38.7	174	-58	-176.1	0	0	0	114.6	H240 N253 W255 W264 A322 K323	H240-L325 VanDerWaalsContact CE1-CD1 3.41Å; H240-L325 WeakPolarHBondContact CE1-CD1 3.29Å; N253-L325 PolarHBondContact ND2-O 3.34Å; W255-L325 HydrophobicContact CH2-CD2 3.58Å; W255-L325 HydrophobicContact CZ2-CD2 4.34Å; W255-L325 HydrophobicContact CZ3-CD2 3.79Å; W264-L325 HydrophobicContact CH2-CD2 4.39Å; W264-L325 HydrophobicContact CZ2-CD2 4.08Å; A322-L325 PolarHBondContact O-N 3.42Å; K323-L325 VanDerWaalsContact C-N 3.27Å
326	R	98.6	Very high	98	Very high	142 Å²	142	61.2 Å²	61.2	54%	0.536	30%	0.299	S	S	.	.	P	Polyproline II helix	trans	-79.3	152.4	176.1	-75.1	-174.3	-70.7	-100.2	4.8	108.9	W255 H324 F350	W255-R326 PolarHBondContact NE1-O 3.01Å; H324-R326 VanDerWaalsContact CD2-CZ 3.47Å; H324-R326 PolarHBondContact CD2-NH2 2.97Å; H324-R326 PolarHBondContact CE1-NE 3.08Å; H324-R326 PolarHBondContact CE1-NH2 2.78Å; H324-R326 VanDerWaalsContact CG-CZ 3.48Å; H324-R326 WeakPolarHBondContact ND1-CB 3.44Å; H324-R326 WeakPolarHBondContact ND1-CG 3.24Å; H324-R326 PolarHBondContact ND1-N 3.4Å; H324-R326 VanDerWaalsContact ND1-N 3.12Å; H324-R326 PolarHBondContact ND1-NE 3.28Å; H324-R326 PolarHBondContact NE2-NH2 3.41Å; H324-R326 PolarHBondContact O-N 3.03Å; H324-R326 VanDerWaalsContact O-N 3.1Å; R326-F350 HydrophobicContact CB-CD2 4.5Å; R326-F350 HydrophobicContact CB-CE2 4.13Å
327	D	98.6	Very high	97.9	Very high	94 Å²	94	65.2 Å²	65.2	50%	0.503	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-58.7	140.8	172.1	-72.6	-10	0	0	0	111.4	N253 N254 F350	N253-D327 WeakPolarHBondContact CA-OD1 3.42Å; N253-D327 VanDerWaalsContact CB-OD1 3.28Å; N253-D327 WeakPolarHBondContact CB-OD1 3.37Å; N254-D327 HydrophobicContact CB-CB 4.41Å; N254-D327 PolarHBondContact N-OD1 3.24Å; N254-D327 WeakPolarHBondContact OD1-CA 3.14Å; N254-D327 WeakPolarHBondContact OD1-CB 3.48Å; D327-F350 VanDerWaalsContact O-CE2 3.31Å; D327-F350 WeakPolarHBondContact O-CE2 3.38Å
328	E	98.7	Very high	97.7	Very high	7 Å²	7	71 Å²	71	3%	0.033	36%	0.357	C	S	.	.	P	Polyproline II helix	trans	-69	154.8	168	-68.8	-69.4	-163.8	0	0	110.9	N254 L346 Y347 H348 D349 F350 T351	N254-E328 PolarHBondContact ND2-O 2.94Å; N254-E328 PolarHBondContact OD1-N 2.81Å; E328-L346 HydrophobicContact CB-CB 4.23Å; E328-L346 HydrophobicContact CB-CD1 4.12Å; E328-L346 HydrophobicContact CB-CD2 4.3Å; E328-L346 HydrophobicContact CB-CG 4.46Å; E328-Y347 WeakPolarHBondContact CB-O 3.46Å; E328-H348 WeakPolarHBondContact OE1-CA 3.15Å; E328-D349 PolarHBondContact OE1-N 3.38Å; E328-D349 PolarHBondContact OE2-N 3.25Å; E328-F350 WeakPolarHBondContact OE1-CA 3.49Å; E328-F350 WeakPolarHBondContact OE1-CB 3.49Å; E328-F350 PolarHBondContact OE1-N 2.86Å; E328-F350 VanDerWaalsContact OE2-CD2 3.26Å; E328-F350 WeakPolarHBondContact OE2-CD2 3.33Å; E328-F350 PolarHBondContact OE2-N 2.87Å; E328-T351 PolarHBondContact OE1-N 2.79Å; E328-T351 VanDerWaalsContact OE1-N 3.12Å; E328-T351 PolarHBondContact OE1-OG1 3Å
329	I	98.5	Very high	97.5	Very high	78 Å²	78	73.8 Å²	73.8	40%	0.4	38%	0.376	S	S	.	.	P	Polyproline II helix	trans	-80.7	124.1	179.4	-59.2	174.1	0	0	0	109.3	Y347	I329-Y347 HydrophobicContact CB-CD2 4.38Å; I329-Y347 HydrophobicContact CG2-CD2 4.21Å; I329-Y347 PolarHBondContact O-N 3.03Å
330	Q	98.4	Very high	97.5	Very high	27 Å²	27	74.5 Å²	74.5	13%	0.126	38%	0.38	C	S	.	.	B	Isolated β-bridge	trans	-63	135.8	170.7	-72.5	174.5	-147.5	0	0	111.8	N332 Q335 V340 L346	Q330-N332 PolarHBondContact NE2-O 3.21Å; Q330-Q335 PolarHBondContact NE2-O 3.14Å; Q330-V340 HydrophobicContact CG-CG2 4.22Å; Q330-L346 HydrophobicContact CB-CD2 4.47Å; Q330-L346 HydrophobicContact CG-CD2 3.85Å
331	V	97.8	Very high	97.4	Very high	66 Å²	66	76.5 Å²	76.5	40%	0.4	39%	0.392	S	S	.	.	S	Bend	trans	-59.6	-50.3	170.5	176	0	0	0	0	109.3	E345 Y347	V331-E345 WeakPolarHBondContact CG2-O 3.41Å; V331-E345 PolarHBondContact N-O 2.92Å; V331-Y347 HydrophobicContact CB-CE2 4.29Å; V331-Y347 HydrophobicContact CG2-CD1 4.41Å; V331-Y347 HydrophobicContact CG2-CD2 4.11Å; V331-Y347 HydrophobicContact CG2-CE1 4.23Å; V331-Y347 HydrophobicContact CG2-CE2 3.93Å; V331-Y347 HydrophobicContact CG2-CG 4.36Å
332	N	97.3	Very high	97.3	Very high	81 Å²	81	81.1 Å²	81.1	43%	0.433	41%	0.414	S	S	.	.	S	Bend	trans	-96.9	100.2	170.1	-172.9	1	0	0	0	111.2	Q330 T334 Q335	Q330-N332 PolarHBondContact NE2-O 3.21Å; N332-T334 PolarHBondContact O-N 3.2Å; N332-T334 VanDerWaalsContact O-N 3.16Å; N332-T334 PolarHBondContact OD1-N 2.88Å; N332-T334 PolarHBondContact OD1-OG1 3.36Å; N332-Q335 HydrophobicContact CB-CB 4.16Å; N332-Q335 WeakPolarHBondContact O-CB 3.45Å; N332-Q335 PolarHBondContact O-N 2.8Å
333	K	96.7	Very high	97.2	Very high	157 Å²	157	83 Å²	83	68%	0.683	42%	0.42	S	S	*	.	T	Hydrogen-bonded Turn	trans	-67.3	-13.7	-176	-62.8	-176	177.3	65.1	0	114.8
334	T	97.1	Very high	97.2	Very high	124 Å²	124	79.2 Å²	79.2	76%	0.761	42%	0.416	S	S	*	.	T	Hydrogen-bonded Turn	trans	-98.8	-6.9	178.2	63	0	0	0	0	113.1	N332	N332-T334 PolarHBondContact O-N 3.2Å; N332-T334 VanDerWaalsContact O-N 3.16Å; N332-T334 PolarHBondContact OD1-N 2.88Å; N332-T334 PolarHBondContact OD1-OG1 3.36Å
335	Q	96.8	Very high	97.2	Very high	42 Å²	42	77.8 Å²	77.8	20%	0.196	41%	0.41	C	S	.	.	S	Bend	trans	-65.9	138.5	174.4	-177.1	172.8	1.6	0	0	110.1	Q330 N332 T339 V340 E345	Q330-Q335 PolarHBondContact NE2-O 3.14Å; N332-Q335 HydrophobicContact CB-CB 4.16Å; N332-Q335 WeakPolarHBondContact O-CB 3.45Å; N332-Q335 PolarHBondContact O-N 2.8Å; Q335-T339 WeakPolarHBondContact CG-OG1 3.47Å; Q335-T339 PolarHBondContact NE2-OG1 2.84Å; Q335-V340 HydrophobicContact CG-CG2 3.86Å; Q335-E345 PolarHBondContact NE2-OE1 2.92Å
336	I	96.6	Very high	97.2	Very high	112 Å²	112	76.3 Å²	76.3	57%	0.574	40%	0.402	S	S	*	.			trans	-69.2	126.8	179	-61.7	170.2	0	0	0	108.2	D338 T339	I336-D338 VanDerWaalsContact C-N 3.26Å; I336-D338 HydrophobicContact CG2-CB 4.38Å; I336-D338 PolarHBondContact O-N 2.86Å; I336-D338 VanDerWaalsContact O-N 3.16Å; I336-T339 HydrophobicContact CB-CG2 4.37Å; I336-T339 PolarHBondContact O-N 3.19Å; I336-T339 PolarHBondContact O-OG1 2.85Å
337	P	95.4	Very high	97.2	Very high	84 Å²	84	75.2 Å²	75.2	55%	0.545	40%	0.399	S	S	.	.	G	3₁₀ helix	trans	-54	-37.9	-174.5	-29.5	35.3	0	0	0	114.5	T339 V340	P337-T339 PolarHBondContact O-N 2.98Å; P337-V340 WeakPolarHBondContact O-CB 3.36Å; P337-V340 PolarHBondContact O-N 2.88Å
338	D	93.4	Very high	97.1	Very high	146 Å²	146	72.4 Å²	72.4	78%	0.781	38%	0.382	S	S	*	.	G	3₁₀ helix	trans	-61.9	-15	178.8	-69	-24	0	0	0	114.4	I336	I336-D338 VanDerWaalsContact C-N 3.26Å; I336-D338 HydrophobicContact CG2-CB 4.38Å; I336-D338 PolarHBondContact O-N 2.86Å; I336-D338 VanDerWaalsContact O-N 3.16Å
339	T	95.8	Very high	97.1	Very high	74 Å²	74	75.8 Å²	75.8	45%	0.454	40%	0.401	S	S	.	.	G	3₁₀ helix	trans	-98	-9.3	178.5	66.4	0	0	0	0	113.4	Q335 I336 P337 T341	Q335-T339 WeakPolarHBondContact CG-OG1 3.47Å; Q335-T339 PolarHBondContact NE2-OG1 2.84Å; I336-T339 HydrophobicContact CB-CG2 4.37Å; I336-T339 PolarHBondContact O-N 3.19Å; I336-T339 PolarHBondContact O-OG1 2.85Å; P337-T339 PolarHBondContact O-N 2.98Å; T339-T341 PolarHBondContact O-N 3.38Å
340	V	97.3	Very high	97.1	Very high	17 Å²	17	74 Å²	74	10%	0.103	39%	0.39	C	S	.	.			trans	-80.7	108.2	-177.8	-179	0	0	0	0	108.3	L256 Q330 Q335 P337 E345 L346	L256-V340 HydrophobicContact CD1-CG1 4.11Å; Q330-V340 HydrophobicContact CG-CG2 4.22Å; Q335-V340 HydrophobicContact CG-CG2 3.86Å; P337-V340 WeakPolarHBondContact O-CB 3.36Å; P337-V340 PolarHBondContact O-N 2.88Å; V340-E345 WeakPolarHBondContact CA-OE2 3.26Å; V340-E345 HydrophobicContact CG1-CB 3.84Å; V340-L346 HydrophobicContact CG1-CD2 3.92Å; V340-L346 HydrophobicContact CG1-CG 4.08Å
341	T	96.4	Very high	97.1	Very high	50 Å²	50	72.8 Å²	72.8	31%	0.307	39%	0.385	S	S	.	.			trans	-139.7	-17	-172.2	54.2	0	0	0	0	113.4	G260 N261 T339 E345	G260-T341 WeakPolarHBondContact CA-O 3.39Å; N261-T341 PolarHBondContact N-O 3.32Å; T339-T341 PolarHBondContact O-N 3.38Å; T341-E345 PolarHBondContact N-OE2 2.73Å
342	Q	97.3	Very high	97.1	Very high	110 Å²	110	70.4 Å²	70.4	51%	0.514	37%	0.371	S	S	.	.	S	Bend	trans	-94.4	136.4	179.2	-58.9	-62.4	-31.8	0	0	109.8	L256 S344 E345	L256-Q342 VanDerWaalsContact CD1-O 3.27Å; L256-Q342 WeakPolarHBondContact CD1-O 3.39Å; Q342-S344 PolarHBondContact O-N 2.81Å; Q342-S344 VanDerWaalsContact O-N 3.15Å; Q342-E345 HydrophobicContact CB-CG 3.99Å; Q342-E345 PolarHBondContact N-OE2 2.47Å; Q342-E345 WeakPolarHBondContact O-CB 3.41Å; Q342-E345 PolarHBondContact O-N 2.79Å
343	Y	97.1	Very high	97.1	Very high	45 Å²	45	68 Å²	68	18%	0.176	36%	0.358	C	S	.	.	G	3₁₀ helix	trans	-53	-41.4	-175.8	-170.8	-107.8	0	0	0	112.3	S257 V258 E345 L346 H348	S257-Y343 WeakPolarHBondContact O-CD2 3.17Å; V258-Y343 HydrophobicContact CG2-CD2 4.37Å; V258-Y343 HydrophobicContact CG2-CE1 4.4Å; V258-Y343 HydrophobicContact CG2-CE2 3.87Å; Y343-E345 PolarHBondContact O-N 3.05Å; Y343-E345 VanDerWaalsContact O-N 3.08Å; Y343-L346 PolarHBondContact O-N 3.2Å; Y343-H348 AromaticContact CD1-CE1 3.86Å; Y343-H348 AromaticContact CD1-NE2 3.35Å; Y343-H348 WeakPolarHBondContact CD1-NE2 3.43Å; Y343-H348 AromaticContact CD2-CE1 3.38Å; Y343-H348 WeakPolarHBondContact CD2-CE1 3.32Å; Y343-H348 AromaticContact CD2-NE2 3.79Å; Y343-H348 AromaticContact CE1-CD2 3.51Å; Y343-H348 AromaticContact CE1-CE1 3.68Å; Y343-H348 AromaticContact CE1-NE2 3.11Å; Y343-H348 WeakPolarHBondContact CE1-NE2 3.43Å; Y343-H348 AromaticContact CE2-CE1 3.2Å; Y343-H348 WeakPolarHBondContact CE2-CE1 3.43Å; Y343-H348 AromaticContact CE2-ND1 3.56Å; Y343-H348 AromaticContact CE2-NE2 3.6Å; Y343-H348 AromaticContact CG-CE1 3.71Å; Y343-H348 AromaticContact CG-NE2 3.67Å; Y343-H348 AromaticContact CZ-CD2 3.47Å; Y343-H348 VanDerWaalsContact CZ-CD2 3.47Å; Y343-H348 AromaticContact CZ-CE1 3.32Å; Y343-H348 AromaticContact CZ-CG 3.69Å; Y343-H348 AromaticContact CZ-ND1 3.61Å; Y343-H348 AromaticContact CZ-NE2 3.22Å; Y343-H348 PolarHBondContact O-CE1 2.82Å; Y343-H348 PolarHBondContact O-NE2 3.02Å; Y343-H348 PolarHBondContact OH-CD2 3.02Å
344	S	96.8	Very high	97.2	Very high	99 Å²	99	62 Å²	62	69%	0.692	33%	0.333	S	S	*	.	G	3₁₀ helix	trans	-67.6	-5.9	-179.8	57.7	0	0	0	0	116	Q342 L346	Q342-S344 PolarHBondContact O-N 2.81Å; Q342-S344 VanDerWaalsContact O-N 3.15Å; S344-L346 VanDerWaalsContact C-N 3.31Å
345	E	98	Very high	97.3	Very high	43 Å²	43	63 Å²	63	20%	0.201	34%	0.338	C	S	.	.	G	3₁₀ helix	trans	-83.9	-8	178.3	-64.5	175.3	129.3	0	0	112.9	V331 Q335 V340 T341 Q342 Y343	V331-E345 WeakPolarHBondContact CG2-O 3.41Å; V331-E345 PolarHBondContact N-O 2.92Å; Q335-E345 PolarHBondContact NE2-OE1 2.92Å; V340-E345 WeakPolarHBondContact CA-OE2 3.26Å; V340-E345 HydrophobicContact CG1-CB 3.84Å; T341-E345 PolarHBondContact N-OE2 2.73Å; Q342-E345 HydrophobicContact CB-CG 3.99Å; Q342-E345 PolarHBondContact N-OE2 2.47Å; Q342-E345 WeakPolarHBondContact O-CB 3.41Å; Q342-E345 PolarHBondContact O-N 2.79Å; Y343-E345 PolarHBondContact O-N 3.05Å; Y343-E345 VanDerWaalsContact O-N 3.08Å
346	L	98.4	Very high	97.3	Very high	5 Å²	5	62.1 Å²	62.1	3%	0.026	34%	0.341	C	S	.	.	B	Isolated β-bridge	trans	-117.3	148.7	178.6	-63.1	178.1	0	0	0	111.6	N254 L256 E328 Q330 V340 Y343 S344 H348	N254-L346 WeakPolarHBondContact O-CD1 3.08Å; L256-L346 HydrophobicContact CB-CD1 4.26Å; L256-L346 HydrophobicContact CD1-CD1 3.71Å; L256-L346 HydrophobicContact CD1-CG 4.13Å; L256-L346 HydrophobicContact CG-CD1 3.68Å; E328-L346 HydrophobicContact CB-CB 4.23Å; E328-L346 HydrophobicContact CB-CD1 4.12Å; E328-L346 HydrophobicContact CB-CD2 4.3Å; E328-L346 HydrophobicContact CB-CG 4.46Å; Q330-L346 HydrophobicContact CB-CD2 4.47Å; Q330-L346 HydrophobicContact CG-CD2 3.85Å; V340-L346 HydrophobicContact CG1-CD2 3.92Å; V340-L346 HydrophobicContact CG1-CG 4.08Å; Y343-L346 PolarHBondContact O-N 3.2Å; S344-L346 VanDerWaalsContact C-N 3.31Å; L346-H348 PolarHBondContact O-NE2 3.28Å
347	Y	98.1	Very high	97.4	Very high	119 Å²	119	56.8 Å²	56.8	47%	0.467	31%	0.313	S	S	.	.			trans	-83.4	130.8	158.4	-66.6	-68.9	0	0	0	108.5	E328 I329 V331 D349	E328-Y347 WeakPolarHBondContact CB-O 3.46Å; I329-Y347 HydrophobicContact CB-CD2 4.38Å; I329-Y347 HydrophobicContact CG2-CD2 4.21Å; I329-Y347 PolarHBondContact O-N 3.03Å; V331-Y347 HydrophobicContact CB-CE2 4.29Å; V331-Y347 HydrophobicContact CG2-CD1 4.41Å; V331-Y347 HydrophobicContact CG2-CD2 4.11Å; V331-Y347 HydrophobicContact CG2-CE1 4.23Å; V331-Y347 HydrophobicContact CG2-CE2 3.93Å; V331-Y347 HydrophobicContact CG2-CG 4.36Å; Y347-D349 PolarHBondContact O-N 2.9Å
348	H	98.1	Very high	97.6	Very high	34 Å²	34	53.8 Å²	53.8	16%	0.157	29%	0.292	C	S	.	.			trans	-97.4	57.9	-172.4	-54.4	-67.5	0	0	0	112.2	E328 Y343 L346 F350 T352	E328-H348 WeakPolarHBondContact OE1-CA 3.15Å; Y343-H348 AromaticContact CD1-CE1 3.86Å; Y343-H348 AromaticContact CD1-NE2 3.35Å; Y343-H348 WeakPolarHBondContact CD1-NE2 3.43Å; Y343-H348 AromaticContact CD2-CE1 3.38Å; Y343-H348 WeakPolarHBondContact CD2-CE1 3.32Å; Y343-H348 AromaticContact CD2-NE2 3.79Å; Y343-H348 AromaticContact CE1-CD2 3.51Å; Y343-H348 AromaticContact CE1-CE1 3.68Å; Y343-H348 AromaticContact CE1-NE2 3.11Å; Y343-H348 WeakPolarHBondContact CE1-NE2 3.43Å; Y343-H348 AromaticContact CE2-CE1 3.2Å; Y343-H348 WeakPolarHBondContact CE2-CE1 3.43Å; Y343-H348 AromaticContact CE2-ND1 3.56Å; Y343-H348 AromaticContact CE2-NE2 3.6Å; Y343-H348 AromaticContact CG-CE1 3.71Å; Y343-H348 AromaticContact CG-NE2 3.67Å; Y343-H348 AromaticContact CZ-CD2 3.47Å; Y343-H348 VanDerWaalsContact CZ-CD2 3.47Å; Y343-H348 AromaticContact CZ-CE1 3.32Å; Y343-H348 AromaticContact CZ-CG 3.69Å; Y343-H348 AromaticContact CZ-ND1 3.61Å; Y343-H348 AromaticContact CZ-NE2 3.22Å; Y343-H348 PolarHBondContact O-CE1 2.82Å; Y343-H348 PolarHBondContact O-NE2 3.02Å; Y343-H348 PolarHBondContact OH-CD2 3.02Å; L346-H348 PolarHBondContact O-NE2 3.28Å; H348-F350 VanDerWaalsContact C-N 3.32Å; H348-T352 HydrophobicContact CB-CG2 4.06Å; H348-T352 PolarHBondContact O-OG1 2.98Å
349	D	98	Very high	97.8	Very high	79 Å²	79	51.4 Å²	51.4	42%	0.422	28%	0.279	S	S	.	.	T	Hydrogen-bonded Turn	trans	-76.7	-21.7	-174.3	-67.4	-33.9	0	0	0	112.5	E328 Y347 Q354	E328-D349 PolarHBondContact OE1-N 3.38Å; E328-D349 PolarHBondContact OE2-N 3.25Å; Y347-D349 PolarHBondContact O-N 2.9Å; D349-Q354 PolarHBondContact O-NE2 3.07Å
350	F	98.7	Very high	98	Very high	39 Å²	39	48.2 Å²	48.2	17%	0.171	26%	0.26	C	S	.	.	T	Hydrogen-bonded Turn	trans	-108.9	-15.5	-176.2	-58.9	-43.5	0	0	0	113.8	W255 E321 A322 H324 R326 D327 E328 H348	W255-F350 HydrophobicContact CZ2-CB 3.93Å; E321-F350 CarbonylContact C-O 3.56Å; E321-F350 VanDerWaalsContact CA-O 3.28Å; E321-F350 WeakPolarHBondContact CA-O 3.32Å; A322-F350 HydrophobicContact CB-CB 3.73Å; A322-F350 HydrophobicContact CB-CD1 3.97Å; A322-F350 HydrophobicContact CB-CG 4.12Å; A322-F350 PolarHBondContact N-O 3.15Å; H324-F350 AromaticContact CE1-CD1 3.54Å; H324-F350 AromaticContact CE1-CE1 3.64Å; H324-F350 AromaticContact CE1-CG 3.81Å; H324-F350 AromaticContact CE1-CZ 3.98Å; H324-F350 AromaticContact NE2-CD1 3.68Å; H324-F350 AromaticContact NE2-CE1 3.67Å; R326-F350 HydrophobicContact CB-CD2 4.5Å; R326-F350 HydrophobicContact CB-CE2 4.13Å; D327-F350 VanDerWaalsContact O-CE2 3.31Å; D327-F350 WeakPolarHBondContact O-CE2 3.38Å; E328-F350 WeakPolarHBondContact OE1-CA 3.49Å; E328-F350 WeakPolarHBondContact OE1-CB 3.49Å; E328-F350 PolarHBondContact OE1-N 2.86Å; E328-F350 VanDerWaalsContact OE2-CD2 3.26Å; E328-F350 WeakPolarHBondContact OE2-CD2 3.33Å; E328-F350 PolarHBondContact OE2-N 2.87Å; H348-F350 VanDerWaalsContact C-N 3.32Å
351	T	98.4	Very high	98.1	Very high	3 Å²	3	47.4 Å²	47.4	2%	0.018	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-112	0.5	-178	61.1	0	0	0	0	115.1	W255 F275 Q277 E321 E328	W255-T351 HydrophobicContact CB-CG2 4.46Å; W255-T351 HydrophobicContact CD2-CG2 3.5Å; W255-T351 HydrophobicContact CE3-CG2 3.73Å; W255-T351 HydrophobicContact CG-CG2 3.88Å; W255-T351 HydrophobicContact CH2-CG2 4.35Å; W255-T351 HydrophobicContact CZ2-CG2 4.2Å; W255-T351 HydrophobicContact CZ3-CG2 4.14Å; F275-T351 HydrophobicContact CZ-CG2 4.49Å; Q277-T351 PolarHBondContact NE2-O 3.46Å; E321-T351 HydrophobicContact CG-CG2 4.29Å; E328-T351 PolarHBondContact OE1-N 2.79Å; E328-T351 VanDerWaalsContact OE1-N 3.12Å; E328-T351 PolarHBondContact OE1-OG1 3Å
352	T	98.2	Very high	98.2	Very high	16 Å²	16	47.3 Å²	47.3	10%	0.098	25%	0.249	C	C	.	.	S	Bend	trans	-134.2	148.4	175.9	66.2	0	0	0	0	112.7	K317 F318 H348 Q354	K317-T352 CarbonylContact O-C 3.48Å; K317-T352 WeakPolarHBondContact O-CA 3.2Å; F318-T352 HydrophobicContact CD1-CG2 3.81Å; F318-T352 HydrophobicContact CE1-CG2 3.56Å; F318-T352 HydrophobicContact CZ-CG2 4.43Å; H348-T352 HydrophobicContact CB-CG2 4.06Å; H348-T352 PolarHBondContact O-OG1 2.98Å; T352-Q354 VanDerWaalsContact C-N 3.3Å; T352-Q354 PolarHBondContact O-N 3.23Å; T352-Q354 VanDerWaalsContact O-N 3.17Å; T352-Q354 PolarHBondContact O-NE2 2.89Å
353	T	97.4	Very high	98.2	Very high	29 Å²	29	42.9 Å²	42.9	18%	0.178	23%	0.23	C	C	.	.	S	Bend	trans	51.3	44.2	169.5	-37.5	0	0	0	0	113.2	K317 M357 E388 R392	K317-T353 PolarHBondContact O-N 3.22Å; T353-M357 HydrophobicContact CG2-CE 3.93Å; T353-E388 PolarHBondContact OG1-OE1 3.38Å; T353-E388 VanDerWaalsContact OG1-OE1 3.12Å; T353-R392 PolarHBondContact OG1-NH1 2.92Å
354	Q	98.4	Very high	98.3	Very high	33 Å²	33	40.8 Å²	40.8	15%	0.154	22%	0.222	C	C	.	.			trans	-73.5	157.6	-177.7	-62	-61.6	-69.4	0	0	112.8	L320 D349 T352 G356 M357	L320-Q354 HydrophobicContact CB-CB 3.92Å; L320-Q354 HydrophobicContact CB-CG 4.41Å; L320-Q354 WeakPolarHBondContact O-CG 3.25Å; D349-Q354 PolarHBondContact O-NE2 3.07Å; T352-Q354 VanDerWaalsContact C-N 3.3Å; T352-Q354 PolarHBondContact O-N 3.23Å; T352-Q354 VanDerWaalsContact O-N 3.17Å; T352-Q354 PolarHBondContact O-NE2 2.89Å; Q354-G356 PolarHBondContact O-N 3.45Å; Q354-M357 VanDerWaalsContact O-CB 3.24Å; Q354-M357 WeakPolarHBondContact O-CB 3.39Å; Q354-M357 PolarHBondContact O-N 3.37Å
355	V	98.6	Very high	98.4	Very high	143 Å²	143	36.1 Å²	36.1	87%	0.867	19%	0.189	S	C	*	.	T	Hydrogen-bonded Turn	trans	-57	126.9	173.4	179.3	0	0	0	0	110.3
356	G	97.9	Very high	98.5	Very high	24 Å²	24	40.5 Å²	40.5	25%	0.247	21%	0.209	C	C	.	.	T	Hydrogen-bonded Turn	trans	99.1	-12.4	-176.6	0	0	0	0	0	114.6	Q354 D359 I360	Q354-G356 PolarHBondContact O-N 3.45Å; G356-D359 PolarHBondContact O-N 3.46Å; G356-I360 PolarHBondContact O-N 2.79Å
357	M	98.5	Very high	98.5	Very high	0 Å²	0	40.5 Å²	40.5	0%	0	21%	0.21	C	C	.	.	H	α-helix	trans	-63	-49.1	-179.7	178.9	-78.3	-69.8	0	0	111.5	V316 L319 L320 T353 Q354 D359 I360 V361 Y396	V316-M357 VanDerWaalsContact O-CG 3.29Å; V316-M357 WeakPolarHBondContact O-CG 3.32Å; L319-M357 HydrophobicContact CB-CG 4.18Å; L319-M357 HydrophobicContact CD1-CG 4.38Å; L320-M357 HydrophobicContact CD1-CB 4.33Å; T353-M357 HydrophobicContact CG2-CE 3.93Å; Q354-M357 VanDerWaalsContact O-CB 3.24Å; Q354-M357 WeakPolarHBondContact O-CB 3.39Å; Q354-M357 PolarHBondContact O-N 3.37Å; M357-D359 PolarHBondContact O-N 2.98Å; M357-I360 WeakPolarHBondContact O-CB 3.33Å; M357-I360 PolarHBondContact O-N 3.16Å; M357-V361 PolarHBondContact O-N 2.96Å; M357-V361 HydrophobicContact SD-CG2 3.98Å; M357-Y396 HydrophobicContact CE-CE1 3.83Å; M357-Y396 WeakPolarHBondContact CE-OH 3.25Å; M357-Y396 HydrophobicContact SD-CE1 3.99Å
358	H	98.7	Very high	98.5	Very high	21 Å²	21	34.8 Å²	34.8	10%	0.097	19%	0.187	C	C	.	.	H	α-helix	trans	-60	-30.3	176.4	-73.9	-77	0	0	0	113	I360 V361 R362 Y396 E404	H358-I360 VanDerWaalsContact C-N 3.31Å; H358-I360 PolarHBondContact O-N 3.29Å; H358-V361 PolarHBondContact O-N 3.45Å; H358-R362 WeakPolarHBondContact O-CB 3.39Å; H358-R362 VanDerWaalsContact O-CD 3.29Å; H358-R362 WeakPolarHBondContact O-CD 3.35Å; H358-R362 WeakPolarHBondContact O-CG 3.19Å; H358-R362 PolarHBondContact O-N 3.47Å; H358-Y396 AromaticContact CE1-CD1 3.73Å; H358-Y396 AromaticContact CE1-CE1 3.64Å; H358-Y396 AromaticContact CE1-CZ 3.96Å; H358-Y396 AromaticContact ND1-CD1 3.89Å; H358-Y396 AromaticContact ND1-CE1 3.96Å; H358-E404 IonicContact CE1-OE1 3.27Å; H358-E404 IonicContact CG-OE1 2.75Å; H358-E404 IonicContact ND1-OE1 3.47Å; H358-E404 PolarHBondContact ND1-OE1 2.93Å; H358-E404 IonicContact ND1-OE2 2.88Å
359	D	98.8	Very high	98.5	Very high	96 Å²	96	36 Å²	36	51%	0.513	20%	0.195	S	C	.	.	H	α-helix	trans	-70	-31	177.4	-60.8	-32.3	0	0	0	111.9	G356 M357 R362 S363	G356-D359 PolarHBondContact O-N 3.46Å; M357-D359 PolarHBondContact O-N 2.98Å; D359-R362 IonicContact OD1-CZ 2.81Å; D359-R362 IonicContact OD1-NH1 3.87Å; D359-R362 PolarHBondContact OD1-NH1 3.39Å; D359-S363 WeakPolarHBondContact O-CB 3.14Å; D359-S363 PolarHBondContact O-N 2.91Å
360	I	98.8	Very high	98.5	Very high	8 Å²	8	37.8 Å²	37.8	4%	0.041	20%	0.2	C	C	.	.	H	α-helix	trans	-65.2	-48.3	171.1	-63.6	165.1	0	0	0	109.8	F287 L319 L320 G356 M357 H358 R362 S363 F364	F287-I360 HydrophobicContact CB-CD1 3.84Å; F287-I360 HydrophobicContact CD1-CD1 4.13Å; F287-I360 HydrophobicContact CD1-CG2 3.96Å; F287-I360 HydrophobicContact CE1-CG2 4.16Å; F287-I360 HydrophobicContact CG-CD1 4.24Å; L319-I360 HydrophobicContact CD1-CG2 4.15Å; L320-I360 HydrophobicContact CD1-CD1 3.81Å; L320-I360 HydrophobicContact CD2-CD1 4.16Å; L320-I360 HydrophobicContact CG-CD1 3.85Å; G356-I360 PolarHBondContact O-N 2.79Å; M357-I360 WeakPolarHBondContact O-CB 3.33Å; M357-I360 PolarHBondContact O-N 3.16Å; H358-I360 VanDerWaalsContact C-N 3.31Å; H358-I360 PolarHBondContact O-N 3.29Å; I360-R362 VanDerWaalsContact C-N 3.33Å; I360-R362 PolarHBondContact O-N 3.02Å; I360-S363 WeakPolarHBondContact O-CA 3.13Å; I360-S363 WeakPolarHBondContact O-CB 3.49Å; I360-S363 PolarHBondContact O-N 2.76Å; I360-S363 PolarHBondContact O-OG 3.13Å; I360-F364 HydrophobicContact CG2-CE1 3.96Å; I360-F364 HydrophobicContact CG2-CE2 3.76Å; I360-F364 HydrophobicContact CG2-CZ 3.41Å; I360-F364 VanDerWaalsContact CG2-CZ 3.41Å; I360-F364 PolarHBondContact O-N 3.03Å; I360-F364 VanDerWaalsContact O-N 3.11Å
361	V	98.8	Very high	98.5	Very high	0 Å²	0	39.1 Å²	39.1	0%	0	21%	0.205	C	C	.	.	H	α-helix	trans	-58.9	-44	177.6	179.4	0	0	0	0	111.3	L313 V316 L319 M357 H358 S363 F364 R365 M381 T383 E404	L313-V361 HydrophobicContact CD1-CG1 4.36Å; V316-V361 HydrophobicContact CB-CG2 4.23Å; V316-V361 HydrophobicContact CG1-CG2 4.38Å; L319-V361 HydrophobicContact CD1-CG2 4.41Å; M357-V361 PolarHBondContact O-N 2.96Å; M357-V361 HydrophobicContact SD-CG2 3.98Å; H358-V361 PolarHBondContact O-N 3.45Å; V361-S363 VanDerWaalsContact C-N 3.28Å; V361-S363 PolarHBondContact O-N 2.86Å; V361-F364 WeakPolarHBondContact O-CB 3.28Å; V361-F364 PolarHBondContact O-N 2.73Å; V361-F364 VanDerWaalsContact O-N 3.1Å; V361-R365 PolarHBondContact O-N 2.67Å; V361-R365 VanDerWaalsContact O-N 3.1Å; V361-M381 HydrophobicContact CG1-CE 3.84Å; V361-T383 HydrophobicContact CG1-CG2 4.07Å; V361-E404 HydrophobicContact CB-CG 4.48Å; V361-E404 HydrophobicContact CG1-CG 3.86Å
362	R	98.8	Very high	98.5	Very high	47 Å²	47	40 Å²	40	18%	0.177	21%	0.211	C	C	.	.	H	α-helix	trans	-61.5	-35.2	174.2	-68.8	159.1	-173.9	160.8	4.1	112.5	H358 D359 I360 F364 R365 Q366 I402 E404	H358-R362 WeakPolarHBondContact O-CB 3.39Å; H358-R362 VanDerWaalsContact O-CD 3.29Å; H358-R362 WeakPolarHBondContact O-CD 3.35Å; H358-R362 WeakPolarHBondContact O-CG 3.19Å; H358-R362 PolarHBondContact O-N 3.47Å; D359-R362 IonicContact OD1-CZ 2.81Å; D359-R362 IonicContact OD1-NH1 3.87Å; D359-R362 PolarHBondContact OD1-NH1 3.39Å; I360-R362 VanDerWaalsContact C-N 3.33Å; I360-R362 PolarHBondContact O-N 3.02Å; R362-F364 VanDerWaalsContact C-N 3.3Å; R362-F364 PolarHBondContact O-N 3.04Å; R362-R365 WeakPolarHBondContact O-CB 3.39Å; R362-R365 PolarHBondContact O-N 2.91Å; R362-Q366 WeakPolarHBondContact O-CG 3.27Å; R362-Q366 PolarHBondContact O-N 3.08Å; R362-I402 HydrophobicContact CG-CG2 4.07Å; R362-E404 HydrophobicContact CG-CB 4.24Å; R362-E404 HydrophobicContact CG-CG 3.89Å; R362-E404 IonicContact CZ-OE2 3.2Å; R362-E404 VanDerWaalsContact CZ-OE2 3.31Å; R362-E404 IonicContact NE-OE2 2.87Å; R362-E404 PolarHBondContact NE-OE2 2.91Å; R362-E404 IonicContact NH2-OE2 3.87Å; R362-E404 PolarHBondContact NH2-OE2 2.98Å
363	S	98.8	Very high	98.5	Very high	18 Å²	18	45 Å²	45	13%	0.126	24%	0.242	C	C	.	.	H	α-helix	trans	-68.2	-29.9	175.7	87	0	0	0	0	112.7	D359 I360 V361 T367	D359-S363 WeakPolarHBondContact O-CB 3.14Å; D359-S363 PolarHBondContact O-N 2.91Å; I360-S363 WeakPolarHBondContact O-CA 3.13Å; I360-S363 WeakPolarHBondContact O-CB 3.49Å; I360-S363 PolarHBondContact O-N 2.76Å; I360-S363 PolarHBondContact O-OG 3.13Å; V361-S363 VanDerWaalsContact C-N 3.28Å; V361-S363 PolarHBondContact O-N 2.86Å; S363-T367 PolarHBondContact O-N 3.11Å; S363-T367 VanDerWaalsContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 2.93Å
364	F	98.8	Very high	98.5	Very high	0 Å²	0	48.6 Å²	48.6	0%	0	26%	0.257	C	S	.	.	H	α-helix	trans	-68	-45.9	170.9	-57.7	-28.9	0	0	0	110.8	P213 F287 I296 L300 L313 I360 V361 R362 Q366 T367 M368 M381	P213-F364 HydrophobicContact CB-CE2 4.32Å; P213-F364 HydrophobicContact CB-CZ 4.37Å; F287-F364 AromaticContact CE1-CZ 3.98Å; F287-F364 HydrophobicContact CE1-CZ 3.98Å; I296-F364 HydrophobicContact CB-CE1 4.47Å; I296-F364 HydrophobicContact CG2-CD1 4.4Å; I296-F364 HydrophobicContact CG2-CE1 3.49Å; I296-F364 VanDerWaalsContact CG2-CE1 3.49Å; I296-F364 HydrophobicContact CG2-CZ 3.66Å; L300-F364 HydrophobicContact CD1-CB 3.96Å; L300-F364 HydrophobicContact CD1-CD1 3.84Å; L300-F364 HydrophobicContact CD1-CG 4.04Å; L313-F364 HydrophobicContact CD1-CD2 3.89Å; I360-F364 HydrophobicContact CG2-CE1 3.96Å; I360-F364 HydrophobicContact CG2-CE2 3.76Å; I360-F364 HydrophobicContact CG2-CZ 3.41Å; I360-F364 VanDerWaalsContact CG2-CZ 3.41Å; I360-F364 PolarHBondContact O-N 3.03Å; I360-F364 VanDerWaalsContact O-N 3.11Å; V361-F364 WeakPolarHBondContact O-CB 3.28Å; V361-F364 PolarHBondContact O-N 2.73Å; V361-F364 VanDerWaalsContact O-N 3.1Å; R362-F364 VanDerWaalsContact C-N 3.3Å; R362-F364 PolarHBondContact O-N 3.04Å; F364-Q366 VanDerWaalsContact C-N 3.33Å; F364-Q366 PolarHBondContact O-N 2.94Å; F364-T367 WeakPolarHBondContact O-CA 3.3Å; F364-T367 WeakPolarHBondContact O-CB 3.41Å; F364-T367 PolarHBondContact O-N 2.98Å; F364-M368 WeakPolarHBondContact O-CG 3.36Å; F364-M368 PolarHBondContact O-N 3.32Å; F364-M381 HydrophobicContact CB-SD 4.04Å
365	R	98.8	Very high	98.4	Very high	2 Å²	2	52.8 Å²	52.8	1%	0.008	29%	0.287	C	S	.	.	H	α-helix	trans	-52.8	-49.6	172.8	-175.2	61.5	-97.5	172	-5.2	111.9	V361 R362 T367 M368 D369 S372 Y378 R379 M381 Q403 E404 D406	V361-R365 PolarHBondContact O-N 2.67Å; V361-R365 VanDerWaalsContact O-N 3.1Å; R362-R365 WeakPolarHBondContact O-CB 3.39Å; R362-R365 PolarHBondContact O-N 2.91Å; R365-T367 VanDerWaalsContact C-N 3.26Å; R365-T367 PolarHBondContact O-N 3.42Å; R365-M368 PolarHBondContact O-N 3.49Å; R365-M368 VanDerWaalsContact O-N 3.09Å; R365-D369 IonicContact CZ-OD1 3.8Å; R365-D369 IonicContact NE-OD1 3.99Å; R365-D369 PolarHBondContact NE-OD1 3.12Å; R365-D369 IonicContact NE-OD2 2.72Å; R365-D369 IonicContact NH2-OD1 3.53Å; R365-D369 PolarHBondContact NH2-OD1 3.05Å; R365-D369 PolarHBondContact O-N 3.1Å; R365-S372 PolarHBondContact NH2-OG 3.2Å; R365-Y378 PolarHBondContact NH1-OH 2.68Å; R365-Y378 VanDerWaalsContact NH1-OH 3.15Å; R365-R379 PolarHBondContact NH1-O 2.87Å; R365-R379 PolarHBondContact NH2-O 2.9Å; R365-M381 HydrophobicContact CB-CE 3.71Å; R365-M381 HydrophobicContact CB-SD 4.22Å; R365-M381 HydrophobicContact CG-CE 4.43Å; R365-Q403 HydrophobicContact CG-CB 4.2Å; R365-E404 WeakPolarHBondContact CD-O 3.43Å; R365-E404 WeakPolarHBondContact CG-O 3.26Å; R365-D406 IonicContact NH1-OD2 3.73Å
366	Q	98.8	Very high	98.2	Very high	134 Å²	134	49 Å²	49	63%	0.626	28%	0.276	S	S	*	.	H	α-helix	trans	-60.9	-33.2	177.5	-73.8	-176.6	-11.3	0	0	113.4	R362 F364	R362-Q366 WeakPolarHBondContact O-CG 3.27Å; R362-Q366 PolarHBondContact O-N 3.08Å; F364-Q366 VanDerWaalsContact C-N 3.33Å; F364-Q366 PolarHBondContact O-N 2.94Å
367	T	98.8	Very high	98.2	Very high	5 Å²	5	51.9 Å²	51.9	3%	0.031	28%	0.28	C	S	.	.	H	α-helix	trans	-68.1	-41.9	175.5	-57	0	0	0	0	110.5	K297 R301 S363 F364 R365 Q370	K297-T367 HydrophobicContact CB-CG2 4.19Å; K297-T367 HydrophobicContact CG-CG2 4.36Å; R301-T367 HydrophobicContact CG-CG2 4.07Å; S363-T367 PolarHBondContact O-N 3.11Å; S363-T367 VanDerWaalsContact O-N 3.12Å; S363-T367 PolarHBondContact O-OG1 2.93Å; F364-T367 WeakPolarHBondContact O-CA 3.3Å; F364-T367 WeakPolarHBondContact O-CB 3.41Å; F364-T367 PolarHBondContact O-N 2.98Å; R365-T367 VanDerWaalsContact C-N 3.26Å; R365-T367 PolarHBondContact O-N 3.42Å; T367-Q370 WeakPolarHBondContact O-CB 3.32Å; T367-Q370 PolarHBondContact O-N 2.86Å
368	M	98.8	Very high	98.2	Very high	0 Å²	0	53.9 Å²	53.9	0%	0	29%	0.288	C	S	.	.	H	α-helix	trans	-72.7	-27.4	178.9	-64.1	168	63.5	0	0	113.4	L304 F311 F364 R365 Q370 Y371 S372 R379 F380 M381	L304-M368 HydrophobicContact CD1-CB 4.49Å; L304-M368 HydrophobicContact CD1-CG 4.08Å; F311-M368 HydrophobicContact CD2-CE 3.77Å; F311-M368 HydrophobicContact CD2-SD 4.01Å; F311-M368 HydrophobicContact CE2-CE 4.43Å; F364-M368 WeakPolarHBondContact O-CG 3.36Å; F364-M368 PolarHBondContact O-N 3.32Å; R365-M368 PolarHBondContact O-N 3.49Å; R365-M368 VanDerWaalsContact O-N 3.09Å; M368-Q370 PolarHBondContact O-N 3.12Å; M368-Y371 PolarHBondContact O-N 2.81Å; M368-S372 PolarHBondContact O-N 3.35Å; M368-S372 PolarHBondContact O-OG 3.15Å; M368-R379 HydrophobicContact CB-CB 4.38Å; M368-R379 HydrophobicContact CE-CB 4.07Å; M368-F380 WeakPolarHBondContact CE-O 3.33Å; M368-M381 HydrophobicContact CE-CB 3.68Å; M368-M381 HydrophobicContact CE-CG 4.14Å; M368-M381 HydrophobicContact SD-CB 3.95Å; M368-M381 HydrophobicContact SD-CG 3.85Å; M368-M381 HydrophobicContact SD-SD 3.64Å; M368-M381 VanDerWaalsContact SD-SD 3.64Å
369	D	98.6	Very high	98.2	Very high	58 Å²	58	53.3 Å²	53.3	31%	0.31	29%	0.285	S	S	.	.	H	α-helix	trans	-62.1	-29.5	176.8	-71.5	-17.7	0	0	0	112.4	R365 Y371 S372	R365-D369 IonicContact CZ-OD1 3.8Å; R365-D369 IonicContact NE-OD1 3.99Å; R365-D369 PolarHBondContact NE-OD1 3.12Å; R365-D369 IonicContact NE-OD2 2.72Å; R365-D369 IonicContact NH2-OD1 3.53Å; R365-D369 PolarHBondContact NH2-OD1 3.05Å; R365-D369 PolarHBondContact O-N 3.1Å; D369-Y371 PolarHBondContact O-N 2.73Å; D369-S372 PolarHBondContact O-N 3.22Å
370	Q	98.3	Very high	98.2	Very high	117 Å²	117	48.7 Å²	48.7	55%	0.547	26%	0.26	S	S	.	.	T	Hydrogen-bonded Turn	trans	-61.7	-23.6	174.1	-59.6	171.5	11.7	0	0	112.5	T367 M368	T367-Q370 WeakPolarHBondContact O-CB 3.32Å; T367-Q370 PolarHBondContact O-N 2.86Å; M368-Q370 PolarHBondContact O-N 3.12Å
371	Y	98.5	Very high	98.3	Very high	68 Å²	68	48.3 Å²	48.3	27%	0.267	26%	0.258	S	S	.	.	T	Hydrogen-bonded Turn	trans	-103.8	6.8	178.3	-71.6	-101.7	0	0	0	113.1	R301 L304 T305 M368 D369 R379	R301-Y371 HydrophobicContact CG-CE2 4.11Å; L304-Y371 HydrophobicContact CB-CD1 3.79Å; L304-Y371 HydrophobicContact CB-CD2 4.35Å; L304-Y371 HydrophobicContact CB-CE1 3.97Å; L304-Y371 HydrophobicContact CB-CG 3.98Å; L304-Y371 HydrophobicContact CD1-CD2 3.73Å; L304-Y371 HydrophobicContact CD1-CE2 4.21Å; L304-Y371 HydrophobicContact CD1-CG 3.94Å; L304-Y371 HydrophobicContact CG-CG 4.47Å; T305-Y371 PolarHBondContact OG1-OH 3.1Å; M368-Y371 PolarHBondContact O-N 2.81Å; D369-Y371 PolarHBondContact O-N 2.73Å; Y371-R379 PolarHBondContact O-NE 3.42Å
372	S	98.4	Very high	98.3	Very high	22 Å²	22	48.3 Å²	48.3	15%	0.154	26%	0.258	C	S	.	.			trans	-114.9	5.7	-175.2	-57.9	0	0	0	0	113.3	R365 M368 D369 E374 R379	R365-S372 PolarHBondContact NH2-OG 3.2Å; M368-S372 PolarHBondContact O-N 3.35Å; M368-S372 PolarHBondContact O-OG 3.15Å; D369-S372 PolarHBondContact O-N 3.22Å; S372-E374 VanDerWaalsContact C-N 3.32Å; S372-R379 WeakPolarHBondContact OG-CB 3.48Å; S372-R379 WeakPolarHBondContact OG-CG 3.38Å; S372-R379 PolarHBondContact OG-N 3.38Å
373	T	97.6	Very high	98.2	Very high	120 Å²	120	46.1 Å²	46.1	74%	0.736	25%	0.25	S	C	*	.			trans	-74.5	-22.2	-179.2	58.1	0	0	0	0	113.3	P375	T373-P375 WeakPolarHBondContact O-CD 3.4Å
374	E	97.3	Very high	98.1	Very high	105 Å²	105	46 Å²	46	49%	0.491	25%	0.247	S	C	.	.	S	Bend	trans	-77	121	176.3	-171.4	-175.2	159.3	0	0	109.9	S372 G376 R377	S372-E374 VanDerWaalsContact C-N 3.32Å; E374-G376 PolarHBondContact O-N 2.69Å; E374-R377 HydrophobicContact CB-CB 4.31Å; E374-R377 HydrophobicContact CG-CG 4.39Å; E374-R377 PolarHBondContact O-N 2.92Å; E374-R377 VanDerWaalsContact O-N 3.07Å; E374-R377 VanDerWaalsContact OE1-CD 3.31Å; E374-R377 WeakPolarHBondContact OE1-CD 3.42Å; E374-R377 VanDerWaalsContact OE2-CD 3.24Å; E374-R377 WeakPolarHBondContact OE2-CD 3.4Å; E374-R377 IonicContact OE2-NH1 2.88Å; E374-R377 PolarHBondContact OE2-NH1 3.3Å
375	P	96.6	Very high	97.7	Very high	121 Å²	121	46.4 Å²	46.4	79%	0.786	25%	0.25	S	S	*	.	T	Hydrogen-bonded Turn	trans	-56	134.8	178.7	-25.3	34.6	0	0	0	112.2	T373 R377	T373-P375 WeakPolarHBondContact O-CD 3.4Å; P375-R377 VanDerWaalsContact C-N 3.27Å; P375-R377 PolarHBondContact O-N 3.32Å
376	G	95	Very high	97.2	Very high	63 Å²	63	48.4 Å²	48.4	65%	0.649	26%	0.258	S	S	*	.	T	Hydrogen-bonded Turn	trans	81.2	-2.4	-177.5	0	0	0	0	0	115.2	E374	E374-G376 PolarHBondContact O-N 2.69Å
377	R	97.5	Very high	96.4	Very high	85 Å²	85	46.2 Å²	46.2	32%	0.321	26%	0.263	S	S	.	.			trans	-122.2	34	177	-56.8	-167.6	78	-173.3	5.3	113.5	E374 P375 R379	E374-R377 HydrophobicContact CB-CB 4.31Å; E374-R377 HydrophobicContact CG-CG 4.39Å; E374-R377 PolarHBondContact O-N 2.92Å; E374-R377 VanDerWaalsContact O-N 3.07Å; E374-R377 VanDerWaalsContact OE1-CD 3.31Å; E374-R377 WeakPolarHBondContact OE1-CD 3.42Å; E374-R377 VanDerWaalsContact OE2-CD 3.24Å; E374-R377 WeakPolarHBondContact OE2-CD 3.4Å; E374-R377 IonicContact OE2-NH1 2.88Å; E374-R377 PolarHBondContact OE2-NH1 3.3Å; P375-R377 VanDerWaalsContact C-N 3.27Å; P375-R377 PolarHBondContact O-N 3.32Å; R377-R379 PolarHBondContact O-N 2.89Å; R377-R379 PolarHBondContact O-NE 2.77Å
378	Y	98.8	Very high	95.8	Very high	41 Å²	41	46.9 Å²	46.9	16%	0.161	27%	0.266	C	S	.	.	P	Polyproline II helix	trans	-54.9	136.8	169.5	179.6	-100.6	0	0	0	110.9	W117 W118 R365 D406	W117-Y378 PolarHBondContact NE1-O 2.94Å; W118-Y378 AromaticContact CD1-CD1 3.82Å; W118-Y378 AromaticContact CD1-CE1 3.98Å; W118-Y378 AromaticContact NE1-CD1 3.72Å; W118-Y378 AromaticContact NE1-CE1 3.58Å; R365-Y378 PolarHBondContact NH1-OH 2.68Å; R365-Y378 VanDerWaalsContact NH1-OH 3.15Å; Y378-D406 WeakPolarHBondContact CE1-OD1 3.5Å; Y378-D406 WeakPolarHBondContact CE1-OD2 3.39Å; Y378-D406 VanDerWaalsContact CZ-OD1 3.32Å; Y378-D406 PolarHBondContact OH-OD1 3.46Å; Y378-D406 PolarHBondContact OH-OD2 3.07Å
379	R	98.8	Very high	95.5	Very high	9 Å²	9	49.4 Å²	49.4	3%	0.034	28%	0.284	C	S	.	.	P	Polyproline II helix	trans	-97.5	118.7	179.2	-51.9	-59.7	173.4	166.1	-2.5	110.7	L304 G307 V308 D309 R365 M368 Y371 S372 R377	L304-R379 HydrophobicContact CD2-CB 4.13Å; L304-R379 HydrophobicContact CD2-CG 3.78Å; G307-R379 PolarHBondContact O-NH1 3.24Å; V308-R379 PolarHBondContact O-NH1 3.2Å; D309-R379 CarbonylContact O-C 3.37Å; D309-R379 WeakPolarHBondContact O-CA 3.47Å; R365-R379 PolarHBondContact NH1-O 2.87Å; R365-R379 PolarHBondContact NH2-O 2.9Å; M368-R379 HydrophobicContact CB-CB 4.38Å; M368-R379 HydrophobicContact CE-CB 4.07Å; Y371-R379 PolarHBondContact O-NE 3.42Å; S372-R379 WeakPolarHBondContact OG-CB 3.48Å; S372-R379 WeakPolarHBondContact OG-CG 3.38Å; S372-R379 PolarHBondContact OG-N 3.38Å; R377-R379 PolarHBondContact O-N 2.89Å; R377-R379 PolarHBondContact O-NE 2.77Å
380	F	98.9	Very high	95.4	Very high	0 Å²	0	48 Å²	48	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.5	140	-178.6	170	-94	0	0	0	111.9	W117 W118 M123 I208 D309 G310 F311 M368 G382 D406 F407 F409	W117-F380 HydrophobicContact CH2-CB 3.44Å; W117-F380 VanDerWaalsContact CH2-CB 3.44Å; W117-F380 HydrophobicContact CH2-CG 4.28Å; W117-F380 HydrophobicContact CZ2-CB 3.57Å; W117-F380 HydrophobicContact CZ3-CB 4.49Å; W118-F380 HydrophobicContact CB-CD2 3.89Å; W118-F380 HydrophobicContact CD2-CD2 4.17Å; W118-F380 HydrophobicContact CE3-CE2 4.44Å; W118-F380 AromaticContact CG-CD2 3.91Å; W118-F380 HydrophobicContact CG-CD2 3.91Å; M123-F380 HydrophobicContact CE-CD2 4.39Å; M123-F380 HydrophobicContact CE-CE1 4.29Å; M123-F380 HydrophobicContact CE-CE2 4.08Å; M123-F380 HydrophobicContact CE-CZ 4.04Å; I208-F380 HydrophobicContact CD1-CD1 4.16Å; I208-F380 HydrophobicContact CD1-CE1 4Å; I208-F380 HydrophobicContact CG2-CB 4.46Å; I208-F380 HydrophobicContact CG2-CD1 3.96Å; D309-F380 PolarHBondContact O-N 3.41Å; G310-F380 CarbonylContact C-O 3.5Å; G310-F380 WeakPolarHBondContact CA-O 3.47Å; F311-F380 PolarHBondContact N-O 2.68Å; M368-F380 WeakPolarHBondContact CE-O 3.33Å; F380-G382 VanDerWaalsContact CE1-N 3.28Å; F380-D406 VanDerWaalsContact CA-OD2 3.31Å; F380-D406 WeakPolarHBondContact CA-OD2 3.36Å; F380-D406 HydrophobicContact CD2-CB 3.73Å; F380-D406 WeakPolarHBondContact CD2-OD2 3.31Å; F380-D406 HydrophobicContact CE2-CB 3.62Å; F380-F407 HydrophobicContact CE2-CD1 4.03Å; F380-F407 HydrophobicContact CE2-CD2 4.49Å; F380-F407 AromaticContact CE2-CE1 3.55Å; F380-F407 HydrophobicContact CE2-CE1 3.55Å; F380-F407 HydrophobicContact CE2-CE2 4.04Å; F380-F407 HydrophobicContact CE2-CG 4.48Å; F380-F407 AromaticContact CE2-CZ 3.55Å; F380-F407 HydrophobicContact CE2-CZ 3.55Å; F380-F407 HydrophobicContact CZ-CD2 4.19Å; F380-F407 AromaticContact CZ-CE1 3.97Å; F380-F407 HydrophobicContact CZ-CE1 3.97Å; F380-F407 AromaticContact CZ-CE2 3.58Å; F380-F407 HydrophobicContact CZ-CE2 3.58Å; F380-F407 AromaticContact CZ-CZ 3.46Å; F380-F407 HydrophobicContact CZ-CZ 3.46Å; F380-F407 VanDerWaalsContact CZ-CZ 3.46Å; F380-F409 HydrophobicContact CE1-CZ 4.07Å; F380-F409 HydrophobicContact CZ-CZ 4.23Å
381	M	98.9	Very high	95.2	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	113.2	170.9	-164	177	76.6	0	0	110.4	L313 V361 F364 R365 M368 E404 A405 D406	L313-M381 HydrophobicContact CD1-CE 4.41Å; L313-M381 HydrophobicContact CD1-CG 3.89Å; L313-M381 HydrophobicContact CD1-SD 3.75Å; L313-M381 HydrophobicContact CG-CG 4.09Å; V361-M381 HydrophobicContact CG1-CE 3.84Å; F364-M381 HydrophobicContact CB-SD 4.04Å; R365-M381 HydrophobicContact CB-CE 3.71Å; R365-M381 HydrophobicContact CB-SD 4.22Å; R365-M381 HydrophobicContact CG-CE 4.43Å; M368-M381 HydrophobicContact CE-CB 3.68Å; M368-M381 HydrophobicContact CE-CG 4.14Å; M368-M381 HydrophobicContact SD-CB 3.95Å; M368-M381 HydrophobicContact SD-CG 3.85Å; M368-M381 HydrophobicContact SD-SD 3.64Å; M368-M381 VanDerWaalsContact SD-SD 3.64Å; M381-E404 WeakPolarHBondContact CE-O 3.48Å; M381-A405 HydrophobicContact CE-CB 4.4Å; M381-A405 CarbonylContact O-C 3.54Å; M381-A405 WeakPolarHBondContact O-CA 3.32Å; M381-A405 WeakPolarHBondContact O-CB 3.44Å; M381-D406 PolarHBondContact N-OD2 3.2Å; M381-D406 PolarHBondContact O-N 2.79Å
382	G	98.8	Very high	95.1	Very high	0 Å²	0	47.7 Å²	47.7	0%	0	28%	0.276	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.1	155.9	170.5	0	0	0	0	0	111.4	F311 L313 F380 F407	F311-G382 PolarHBondContact O-N 3.17Å; L313-G382 PolarHBondContact N-O 3.39Å; F380-G382 VanDerWaalsContact CE1-N 3.28Å; G382-F407 WeakPolarHBondContact CA-O 3.38Å
383	T	98.6	Very high	95.1	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	27%	0.27	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.7	134.1	179.2	51.8	0	0	0	0	111.6	L313 V316 V361 Y396 A405 P408 F409	L313-T383 HydrophobicContact CB-CG2 4.21Å; L313-T383 HydrophobicContact CD1-CG2 4.08Å; L313-T383 HydrophobicContact CG-CG2 4.45Å; V316-T383 HydrophobicContact CG1-CG2 4.41Å; V316-T383 HydrophobicContact CG2-CG2 4.32Å; V361-T383 HydrophobicContact CG1-CG2 4.07Å; T383-Y396 HydrophobicContact CG2-CD1 4.27Å; T383-A405 HydrophobicContact CG2-CB 3.9Å; T383-P408 WeakPolarHBondContact O-CA 3.45Å; T383-F409 PolarHBondContact O-N 3.17Å
384	E	96.1	Very high	95.1	Very high	16 Å²	16	42 Å²	42	8%	0.075	24%	0.24	C	C	.	.			trans	-101.7	110.8	176.8	-61.5	-177.8	-105.3	0	0	110.1	S312 L313 Y386 F409	S312-E384 VanDerWaalsContact OG-CD 3.3Å; S312-E384 WeakPolarHBondContact OG-CG 3.42Å; S312-E384 PolarHBondContact OG-OE1 3.1Å; L313-E384 PolarHBondContact O-N 3.16Å; E384-Y386 HydrophobicContact CB-CE2 4.09Å; E384-Y386 HydrophobicContact CG-CE2 4.43Å; E384-Y386 WeakPolarHBondContact CG-OH 3.44Å; E384-Y386 WeakPolarHBondContact OE2-CE2 3.44Å; E384-Y386 PolarHBondContact OE2-OH 3.22Å; E384-F409 HydrophobicContact CG-CB 4.29Å; E384-F409 HydrophobicContact CG-CD2 3.47Å; E384-F409 VanDerWaalsContact CG-CD2 3.47Å; E384-F409 HydrophobicContact CG-CE2 4.12Å; E384-F409 HydrophobicContact CG-CG 4.16Å
385	A	91.1	Very high	95.2	Very high	8 Å²	8	41.5 Å²	41.5	7%	0.066	24%	0.239	C	C	.	.			trans	-136.2	76.7	177.7	0	0	0	0	0	109.7	E388 Y396	A385-E388 WeakPolarHBondContact CB-OE2 3.31Å; A385-Y396 HydrophobicContact CB-CD2 4.37Å; A385-Y396 HydrophobicContact CB-CE2 3.62Å
386	Y	86.3	Confident	95.3	Very high	44 Å²	44	35.7 Å²	35.7	17%	0.173	20%	0.201	C	C	.	.			trans	-83.2	167.4	-178.1	-52.4	-44.5	0	0	0	112.9	K317 E384 E388 F409 N411 M444	K317-Y386 PolarHBondContact NZ-O 3.33Å; E384-Y386 HydrophobicContact CB-CE2 4.09Å; E384-Y386 HydrophobicContact CG-CE2 4.43Å; E384-Y386 WeakPolarHBondContact CG-OH 3.44Å; E384-Y386 WeakPolarHBondContact OE2-CE2 3.44Å; E384-Y386 PolarHBondContact OE2-OH 3.22Å; Y386-E388 PolarHBondContact O-N 2.59Å; Y386-F409 HydrophobicContact CE1-CB 4.32Å; Y386-N411 HydrophobicContact CD1-CB 3.86Å; Y386-N411 VanDerWaalsContact CD1-ND2 3.32Å; Y386-N411 WeakPolarHBondContact CD1-ND2 3.4Å; Y386-N411 WeakPolarHBondContact CD1-OD1 3.29Å; Y386-N411 HydrophobicContact CE1-CB 3.68Å; Y386-M444 HydrophobicContact CE1-CE 4.12Å
387	A	82.9	Confident	95.4	Very high	88 Å²	88	32.7 Å²	32.7	73%	0.727	17%	0.17	S	C	*	.	S	Bend	trans	52	44.9	-175.2	0	0	0	0	0	111.7
388	E	87	Confident	95.4	Very high	20 Å²	20	29 Å²	29	9%	0.093	16%	0.159	C	C	.	.			trans	-124.3	154.5	179.3	-146	176.4	-161.5	0	0	109.6	T353 A385 Y386 R392 Y412	T353-E388 PolarHBondContact OG1-OE1 3.38Å; T353-E388 VanDerWaalsContact OG1-OE1 3.12Å; A385-E388 WeakPolarHBondContact CB-OE2 3.31Å; Y386-E388 PolarHBondContact O-N 2.59Å; E388-R392 VanDerWaalsContact CD-CB 3.42Å; E388-R392 HydrophobicContact CG-CB 3.69Å; E388-R392 HydrophobicContact CG-CG 4.42Å; E388-R392 WeakPolarHBondContact OE1-CB 3.47Å; E388-R392 VanDerWaalsContact OE1-CD 3.31Å; E388-R392 WeakPolarHBondContact OE1-CD 3.34Å; E388-Y412 PolarHBondContact O-OH 3.5Å
389	S	92.7	Very high	95.4	Very high	53 Å²	53	30.6 Å²	30.6	37%	0.371	17%	0.17	S	C	.	.			trans	-72.1	147.2	173.3	62.2	0	0	0	0	110	D391 R392 T393	S389-D391 WeakPolarHBondContact CB-OD1 3.25Å; S389-D391 PolarHBondContact O-N 3.35Å; S389-D391 VanDerWaalsContact O-N 3.16Å; S389-D391 PolarHBondContact OG-OD1 3.4Å; S389-R392 PolarHBondContact O-N 3.49Å; S389-T393 PolarHBondContact O-N 3.06Å; S389-T393 VanDerWaalsContact O-N 3.08Å; S389-T393 PolarHBondContact O-OG1 3.42Å
390	I	95.1	Very high	95.3	Very high	28 Å²	28	36.1 Å²	36.1	14%	0.144	21%	0.207	C	C	.	.	H	α-helix	trans	-56.2	-36.1	-174.9	-174.6	62.4	0	0	0	112.4	R392 T393 V394 Y412 W431 N434	I390-R392 VanDerWaalsContact C-N 3.31Å; I390-R392 PolarHBondContact O-N 2.93Å; I390-T393 PolarHBondContact O-N 2.87Å; I390-V394 HydrophobicContact CD1-CG1 4.09Å; I390-V394 HydrophobicContact CG1-CG1 4.32Å; I390-V394 WeakPolarHBondContact O-CG1 3.02Å; I390-V394 WeakPolarHBondContact O-CG2 3.03Å; I390-V394 PolarHBondContact O-N 3.32Å; I390-Y412 HydrophobicContact CD1-CD2 4.44Å; I390-Y412 HydrophobicContact CD1-CE2 3.69Å; I390-Y412 PolarHBondContact N-OH 3.42Å; I390-W431 HydrophobicContact CD1-CD2 4.4Å; I390-W431 HydrophobicContact CD1-CE3 3.53Å; I390-W431 HydrophobicContact CD1-CZ3 4Å; I390-N434 HydrophobicContact CG1-CB 3.87Å
391	D	95.3	Very high	95.2	Very high	90 Å²	90	44 Å²	44	48%	0.481	24%	0.241	S	C	.	.	H	α-helix	trans	-63.5	-34.3	179.3	62.4	-68.6	0	0	0	112.9	S389 V394 M395	S389-D391 WeakPolarHBondContact CB-OD1 3.25Å; S389-D391 PolarHBondContact O-N 3.35Å; S389-D391 VanDerWaalsContact O-N 3.16Å; S389-D391 PolarHBondContact OG-OD1 3.4Å; D391-V394 WeakPolarHBondContact O-CG2 3.22Å; D391-M395 WeakPolarHBondContact O-CG 3.47Å
392	R	96.5	Very high	95.1	Very high	89 Å²	89	46.7 Å²	46.7	34%	0.336	26%	0.255	S	S	.	.	H	α-helix	trans	-78	-41.4	174.1	-69.3	-170.3	179.2	-162.2	2.6	111.4	T353 E388 S389 I390 V394 M395	T353-R392 PolarHBondContact OG1-NH1 2.92Å; E388-R392 VanDerWaalsContact CD-CB 3.42Å; E388-R392 HydrophobicContact CG-CB 3.69Å; E388-R392 HydrophobicContact CG-CG 4.42Å; E388-R392 WeakPolarHBondContact OE1-CB 3.47Å; E388-R392 VanDerWaalsContact OE1-CD 3.31Å; E388-R392 WeakPolarHBondContact OE1-CD 3.34Å; S389-R392 PolarHBondContact O-N 3.49Å; I390-R392 VanDerWaalsContact C-N 3.31Å; I390-R392 PolarHBondContact O-N 2.93Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.44Å; R392-M395 VanDerWaalsContact O-CB 3.27Å; R392-M395 WeakPolarHBondContact O-CB 3.39Å; R392-M395 PolarHBondContact O-N 2.96Å; R392-M395 VanDerWaalsContact O-N 3.08Å
393	T	97.6	Very high	95.1	Very high	4 Å²	4	51.6 Å²	51.6	3%	0.025	28%	0.278	C	S	.	.	H	α-helix	trans	-57.1	-44.3	178.4	-51.8	0	0	0	0	111.5	S389 I390 M395 Y396 P408 Y412 W431	S389-T393 PolarHBondContact O-N 3.06Å; S389-T393 VanDerWaalsContact O-N 3.08Å; S389-T393 PolarHBondContact O-OG1 3.42Å; I390-T393 PolarHBondContact O-N 2.87Å; T393-M395 PolarHBondContact O-N 2.65Å; T393-Y396 WeakPolarHBondContact O-CD2 3.49Å; T393-Y396 PolarHBondContact O-N 2.99Å; T393-P408 HydrophobicContact CG2-CB 3.98Å; T393-P408 HydrophobicContact CG2-CG 4.11Å; T393-P408 WeakPolarHBondContact O-CG 3.44Å; T393-Y412 PolarHBondContact OG1-OH 3.43Å; T393-W431 HydrophobicContact CG2-CH2 4.12Å; T393-W431 HydrophobicContact CG2-CZ3 3.93Å
394	V	97.7	Very high	95.1	Very high	18 Å²	18	51.7 Å²	51.7	11%	0.109	28%	0.278	C	S	.	.	G	3₁₀ helix	trans	-69.8	-13.1	-178.5	-61.7	0	0	0	0	113.8	I390 D391 R392 Y396 Y397 N434	I390-V394 HydrophobicContact CD1-CG1 4.09Å; I390-V394 HydrophobicContact CG1-CG1 4.32Å; I390-V394 WeakPolarHBondContact O-CG1 3.02Å; I390-V394 WeakPolarHBondContact O-CG2 3.03Å; I390-V394 PolarHBondContact O-N 3.32Å; D391-V394 WeakPolarHBondContact O-CG2 3.22Å; R392-V394 VanDerWaalsContact C-N 3.31Å; R392-V394 PolarHBondContact O-N 3.44Å; V394-Y396 PolarHBondContact O-N 2.52Å; V394-Y397 HydrophobicContact CB-CD2 4.27Å; V394-Y397 WeakPolarHBondContact O-CD2 3.19Å; V394-Y397 PolarHBondContact O-N 2.98Å; V394-N434 HydrophobicContact CG1-CB 4.15Å
395	M	98.3	Very high	95.2	Very high	94 Å²	94	51.1 Å²	51.1	46%	0.463	28%	0.276	S	S	.	.	G	3₁₀ helix	trans	-64.2	-29.1	175.5	-63.4	177.8	62	0	0	112.3	D391 R392 T393 Y397 G398	D391-M395 WeakPolarHBondContact O-CG 3.47Å; R392-M395 VanDerWaalsContact O-CB 3.27Å; R392-M395 WeakPolarHBondContact O-CB 3.39Å; R392-M395 PolarHBondContact O-N 2.96Å; R392-M395 VanDerWaalsContact O-N 3.08Å; T393-M395 PolarHBondContact O-N 2.65Å; M395-Y397 PolarHBondContact O-N 2.81Å; M395-G398 PolarHBondContact O-N 3.27Å
396	Y	98.6	Very high	95.6	Very high	0 Å²	0	51.4 Å²	51.4	0%	0	28%	0.277	C	S	.	.	G	3₁₀ helix	trans	-69	-13.1	179.8	-67	-77.1	0	0	0	113.9	V316 M357 H358 T383 A385 T393 V394 G398 E404 A405	V316-Y396 HydrophobicContact CG2-CD1 4.37Å; V316-Y396 HydrophobicContact CG2-CE1 3.55Å; M357-Y396 HydrophobicContact CE-CE1 3.83Å; M357-Y396 WeakPolarHBondContact CE-OH 3.25Å; M357-Y396 HydrophobicContact SD-CE1 3.99Å; H358-Y396 AromaticContact CE1-CD1 3.73Å; H358-Y396 AromaticContact CE1-CE1 3.64Å; H358-Y396 AromaticContact CE1-CZ 3.96Å; H358-Y396 AromaticContact ND1-CD1 3.89Å; H358-Y396 AromaticContact ND1-CE1 3.96Å; T383-Y396 HydrophobicContact CG2-CD1 4.27Å; A385-Y396 HydrophobicContact CB-CD2 4.37Å; A385-Y396 HydrophobicContact CB-CE2 3.62Å; T393-Y396 WeakPolarHBondContact O-CD2 3.49Å; T393-Y396 PolarHBondContact O-N 2.99Å; V394-Y396 PolarHBondContact O-N 2.52Å; Y396-G398 PolarHBondContact O-N 2.87Å; Y396-E404 WeakPolarHBondContact O-CB 3.27Å; Y396-A405 WeakPolarHBondContact O-CB 3.46Å; Y396-A405 PolarHBondContact O-N 2.95Å; Y396-A405 VanDerWaalsContact O-N 3.1Å
397	Y	98.6	Very high	96.2	Very high	0 Å²	0	49.3 Å²	49.3	0%	0	27%	0.269	C	S	.	.	G	3₁₀ helix	trans	-66.2	-16.2	168	-78.9	-69.1	0	0	0	113.1	V394 M395 F407 P408 W431 M435 K439 W440	V394-Y397 HydrophobicContact CB-CD2 4.27Å; V394-Y397 WeakPolarHBondContact O-CD2 3.19Å; V394-Y397 PolarHBondContact O-N 2.98Å; M395-Y397 PolarHBondContact O-N 2.81Å; Y397-F407 HydrophobicContact CD1-CB 4.5Å; Y397-F407 HydrophobicContact CE1-CB 3.63Å; Y397-P408 HydrophobicContact CD2-CG 4.08Å; Y397-P408 HydrophobicContact CE2-CG 3.82Å; Y397-W431 HydrophobicContact CE2-CZ2 4.1Å; Y397-W431 WeakPolarHBondContact OH-CZ2 3.4Å; Y397-W431 PolarHBondContact OH-NE1 3.19Å; Y397-M435 HydrophobicContact CD2-CG 4.09Å; Y397-M435 HydrophobicContact CE1-CG 4.42Å; Y397-M435 HydrophobicContact CE1-SD 4.19Å; Y397-M435 HydrophobicContact CE2-CB 4.23Å; Y397-M435 HydrophobicContact CE2-CG 3.57Å; Y397-M435 HydrophobicContact CE2-SD 4.06Å; Y397-M435 VanDerWaalsContact CZ-SD 3.6Å; Y397-M435 PolarHBondContact OH-SD 2.56Å; Y397-M435 VanDerWaalsContact OH-SD 3.32Å; Y397-K439 HydrophobicContact CD1-CB 3.84Å; Y397-K439 HydrophobicContact CD1-CD 3.9Å; Y397-K439 HydrophobicContact CD1-CG 3.97Å; Y397-K439 HydrophobicContact CE1-CB 3.94Å; Y397-K439 HydrophobicContact CG-CB 4.31Å; Y397-K439 HydrophobicContact CG-CD 4.31Å; Y397-K439 HydrophobicContact CG-CG 4.15Å; Y397-K439 WeakPolarHBondContact O-CE 3.24Å; Y397-K439 PolarHBondContact O-NZ 3.09Å; Y397-W440 WeakPolarHBondContact CE1-O 3.29Å; Y397-W440 PolarHBondContact OH-O 2.77Å
398	G	97.9	Very high	96.9	Very high	8 Å²	8	45.2 Å²	45.2	8%	0.082	23%	0.234	C	C	.	.			trans	77.8	-161.8	-176.2	0	0	0	0	0	113.4	M395 Y396	M395-G398 PolarHBondContact O-N 3.27Å; Y396-G398 PolarHBondContact O-N 2.87Å
399	L	97.6	Very high	97.5	Very high	73 Å²	73	44.4 Å²	44.4	38%	0.382	23%	0.231	S	C	.	.	B	Isolated β-bridge	trans	-111.8	163.8	-179.3	-63	178	0	0	0	110.1	F401 I402	L399-F401 HydrophobicContact CB-CD1 4.44Å; L399-F401 HydrophobicContact CB-CE1 4.19Å; L399-F401 HydrophobicContact CB-CE2 4.46Å; L399-F401 HydrophobicContact CB-CZ 4.2Å; L399-F401 HydrophobicContact CD1-CE1 4.31Å; L399-F401 HydrophobicContact CD1-CE2 3.94Å; L399-F401 HydrophobicContact CD1-CZ 3.61Å; L399-F401 PolarHBondContact O-N 2.75Å; L399-I402 HydrophobicContact CB-CB 4.22Å; L399-I402 HydrophobicContact CB-CG1 4.46Å; L399-I402 HydrophobicContact CD1-CD1 4.16Å; L399-I402 PolarHBondContact N-O 3.11Å; L399-I402 CarbonylContact O-C 3.59Å; L399-I402 PolarHBondContact O-N 2.84Å; L399-I402 VanDerWaalsContact O-N 3.09Å
400	P	96.7	Very high	97.7	Very high	125 Å²	125	42 Å²	42	81%	0.812	21%	0.213	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.7	-19.5	176.8	-26.8	35.5	0	0	0	114.8
401	F	96.4	Very high	97.8	Very high	165 Å²	165	41.6 Å²	41.6	72%	0.724	21%	0.212	S	C	*	.	T	Hydrogen-bonded Turn	trans	-120	4	-179.3	54.7	-91	0	0	0	113.4	L399	L399-F401 HydrophobicContact CB-CD1 4.44Å; L399-F401 HydrophobicContact CB-CE1 4.19Å; L399-F401 HydrophobicContact CB-CE2 4.46Å; L399-F401 HydrophobicContact CB-CZ 4.2Å; L399-F401 HydrophobicContact CD1-CE1 4.31Å; L399-F401 HydrophobicContact CD1-CE2 3.94Å; L399-F401 HydrophobicContact CD1-CZ 3.61Å; L399-F401 PolarHBondContact O-N 2.75Å
402	I	97.8	Very high	98	Very high	57 Å²	57	39.5 Å²	39.5	29%	0.292	20%	0.198	S	C	.	.	B	Isolated β-bridge	trans	-134.6	111.7	176.4	-54.3	-174.8	0	0	0	108.6	R362 L399	R362-I402 HydrophobicContact CG-CG2 4.07Å; L399-I402 HydrophobicContact CB-CB 4.22Å; L399-I402 HydrophobicContact CB-CG1 4.46Å; L399-I402 HydrophobicContact CD1-CD1 4.16Å; L399-I402 PolarHBondContact N-O 3.11Å; L399-I402 CarbonylContact O-C 3.59Å; L399-I402 PolarHBondContact O-N 2.84Å; L399-I402 VanDerWaalsContact O-N 3.09Å
403	Q	97.9	Very high	98	Very high	104 Å²	104	35.3 Å²	35.3	49%	0.486	18%	0.182	S	C	.	.			trans	-74.1	143.8	175.6	-69.3	-64.8	95.8	0	0	111.4	R365	R365-Q403 HydrophobicContact CG-CB 4.2Å
404	E	98.6	Very high	98	Very high	1 Å²	1	35.4 Å²	35.4	1%	0.005	18%	0.182	C	C	.	.			trans	-143.3	-128.8	-179.4	-160.2	162	164.7	0	0	108.6	H358 V361 R362 R365 M381 Y396	H358-E404 IonicContact CE1-OE1 3.27Å; H358-E404 IonicContact CG-OE1 2.75Å; H358-E404 IonicContact ND1-OE1 3.47Å; H358-E404 PolarHBondContact ND1-OE1 2.93Å; H358-E404 IonicContact ND1-OE2 2.88Å; V361-E404 HydrophobicContact CB-CG 4.48Å; V361-E404 HydrophobicContact CG1-CG 3.86Å; R362-E404 HydrophobicContact CG-CB 4.24Å; R362-E404 HydrophobicContact CG-CG 3.89Å; R362-E404 IonicContact CZ-OE2 3.2Å; R362-E404 VanDerWaalsContact CZ-OE2 3.31Å; R362-E404 IonicContact NE-OE2 2.87Å; R362-E404 PolarHBondContact NE-OE2 2.91Å; R362-E404 IonicContact NH2-OE2 3.87Å; R362-E404 PolarHBondContact NH2-OE2 2.98Å; R365-E404 WeakPolarHBondContact CD-O 3.43Å; R365-E404 WeakPolarHBondContact CG-O 3.26Å; M381-E404 WeakPolarHBondContact CE-O 3.48Å; Y396-E404 WeakPolarHBondContact O-CB 3.27Å
405	A	98.7	Very high	97.9	Very high	4 Å²	4	39.4 Å²	39.4	3%	0.033	20%	0.201	C	C	.	.			trans	-71.1	151.8	172.8	0	0	0	0	0	111.1	M381 T383 Y396	M381-A405 HydrophobicContact CE-CB 4.4Å; M381-A405 CarbonylContact O-C 3.54Å; M381-A405 WeakPolarHBondContact O-CA 3.32Å; M381-A405 WeakPolarHBondContact O-CB 3.44Å; T383-A405 HydrophobicContact CG2-CB 3.9Å; Y396-A405 WeakPolarHBondContact O-CB 3.46Å; Y396-A405 PolarHBondContact O-N 2.95Å; Y396-A405 VanDerWaalsContact O-N 3.1Å
406	D	98.8	Very high	97.8	Very high	15 Å²	15	36 Å²	36	8%	0.08	19%	0.185	C	C	.	.	S	Bend	trans	-65.2	-45.6	170.9	-68.3	-60	0	0	0	110.1	W118 R365 Y378 F380 M381	W118-D406 HydrophobicContact CD2-CB 4.48Å; W118-D406 HydrophobicContact CH2-CB 4.11Å; W118-D406 HydrophobicContact CZ2-CB 4.07Å; W118-D406 HydrophobicContact CZ3-CB 4.33Å; R365-D406 IonicContact NH1-OD2 3.73Å; Y378-D406 WeakPolarHBondContact CE1-OD1 3.5Å; Y378-D406 WeakPolarHBondContact CE1-OD2 3.39Å; Y378-D406 VanDerWaalsContact CZ-OD1 3.32Å; Y378-D406 PolarHBondContact OH-OD1 3.46Å; Y378-D406 PolarHBondContact OH-OD2 3.07Å; F380-D406 VanDerWaalsContact CA-OD2 3.31Å; F380-D406 WeakPolarHBondContact CA-OD2 3.36Å; F380-D406 HydrophobicContact CD2-CB 3.73Å; F380-D406 WeakPolarHBondContact CD2-OD2 3.31Å; F380-D406 HydrophobicContact CE2-CB 3.62Å; M381-D406 PolarHBondContact N-OD2 3.2Å; M381-D406 PolarHBondContact O-N 2.79Å
407	F	98.8	Very high	97.7	Very high	0 Å²	0	41.8 Å²	41.8	0%	0	22%	0.216	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-153	148.4	161.4	52.7	-109.4	0	0	0	111.3	W118 M123 F380 G382 Y397 F409 N442 I477	W118-F407 AromaticContact CE3-CD1 3.95Å; W118-F407 HydrophobicContact CE3-CD1 3.95Å; W118-F407 AromaticContact CE3-CE1 3.7Å; W118-F407 HydrophobicContact CE3-CE1 3.7Å; W118-F407 AromaticContact CZ3-CD1 3.67Å; W118-F407 HydrophobicContact CZ3-CD1 3.67Å; W118-F407 AromaticContact CZ3-CE1 3.92Å; W118-F407 HydrophobicContact CZ3-CE1 3.92Å; M123-F407 HydrophobicContact CE-CE1 4.29Å; M123-F407 HydrophobicContact CE-CZ 3.72Å; M123-F407 HydrophobicContact SD-CZ 4.13Å; F380-F407 HydrophobicContact CE2-CD1 4.03Å; F380-F407 HydrophobicContact CE2-CD2 4.49Å; F380-F407 AromaticContact CE2-CE1 3.55Å; F380-F407 HydrophobicContact CE2-CE1 3.55Å; F380-F407 HydrophobicContact CE2-CE2 4.04Å; F380-F407 HydrophobicContact CE2-CG 4.48Å; F380-F407 AromaticContact CE2-CZ 3.55Å; F380-F407 HydrophobicContact CE2-CZ 3.55Å; F380-F407 HydrophobicContact CZ-CD2 4.19Å; F380-F407 AromaticContact CZ-CE1 3.97Å; F380-F407 HydrophobicContact CZ-CE1 3.97Å; F380-F407 AromaticContact CZ-CE2 3.58Å; F380-F407 HydrophobicContact CZ-CE2 3.58Å; F380-F407 AromaticContact CZ-CZ 3.46Å; F380-F407 HydrophobicContact CZ-CZ 3.46Å; F380-F407 VanDerWaalsContact CZ-CZ 3.46Å; G382-F407 WeakPolarHBondContact CA-O 3.38Å; Y397-F407 HydrophobicContact CD1-CB 4.5Å; Y397-F407 HydrophobicContact CE1-CB 3.63Å; F407-F409 AromaticContact CE2-CD1 3.91Å; F407-F409 HydrophobicContact CE2-CD1 3.91Å; F407-F409 AromaticContact CE2-CE1 3.73Å; F407-F409 HydrophobicContact CE2-CE1 3.73Å; F407-F409 HydrophobicContact CE2-CZ 4.26Å; F407-N442 HydrophobicContact CD1-CB 4.3Å; F407-N442 HydrophobicContact CD2-CB 3.99Å; F407-N442 WeakPolarHBondContact CD2-ND2 3.37Å; F407-N442 HydrophobicContact CE1-CB 4.22Å; F407-N442 HydrophobicContact CE2-CB 3.94Å; F407-N442 WeakPolarHBondContact CE2-ND2 3.37Å; F407-N442 HydrophobicContact CG-CB 4.18Å; F407-N442 HydrophobicContact CZ-CB 4.06Å; F407-I477 HydrophobicContact CE2-CD1 4.2Å; F407-I477 HydrophobicContact CZ-CD1 4.41Å
408	P	98.7	Very high	97.5	Very high	1 Å²	1	47.1 Å²	47.1	1%	0.006	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-71.9	143.2	160.2	28.6	-29.6	0	0	0	110.7	T383 T393 Y397 N410 W431 N442	T383-P408 WeakPolarHBondContact O-CA 3.45Å; T393-P408 HydrophobicContact CG2-CB 3.98Å; T393-P408 HydrophobicContact CG2-CG 4.11Å; T393-P408 WeakPolarHBondContact O-CG 3.44Å; Y397-P408 HydrophobicContact CD2-CG 4.08Å; Y397-P408 HydrophobicContact CE2-CG 3.82Å; P408-N410 PolarHBondContact O-N 3.33Å; P408-W431 HydrophobicContact CG-CH2 3.98Å; P408-W431 HydrophobicContact CG-CZ2 4.35Å; P408-N442 PolarHBondContact O-OD1 3.14Å; P408-N442 VanDerWaalsContact O-OD1 3.04Å
409	F	98.6	Very high	97.5	Very high	4 Å²	4	48.3 Å²	48.3	2%	0.018	25%	0.254	C	S	.	.			trans	-69.8	122.6	-178.5	-72.9	-80	0	0	0	112.5	W161 S312 F380 T383 E384 Y386 F407 N411 M444 I477	W161-F409 AromaticContact CE3-CE1 4Å; W161-F409 HydrophobicContact CE3-CE1 4Å; W161-F409 HydrophobicContact CE3-CZ 4.34Å; W161-F409 HydrophobicContact CH2-CD1 4.01Å; W161-F409 HydrophobicContact CH2-CD2 4.39Å; W161-F409 AromaticContact CH2-CE1 3.8Å; W161-F409 HydrophobicContact CH2-CE1 3.8Å; W161-F409 HydrophobicContact CH2-CE2 4.21Å; W161-F409 HydrophobicContact CH2-CG 4.3Å; W161-F409 AromaticContact CH2-CZ 3.9Å; W161-F409 HydrophobicContact CH2-CZ 3.9Å; W161-F409 HydrophobicContact CZ2-CZ 4.37Å; W161-F409 AromaticContact CZ3-CD1 3.77Å; W161-F409 HydrophobicContact CZ3-CD1 3.77Å; W161-F409 AromaticContact CZ3-CE1 3.41Å; W161-F409 HydrophobicContact CZ3-CE1 3.41Å; W161-F409 VanDerWaalsContact CZ3-CE1 3.41Å; W161-F409 AromaticContact CZ3-CZ 3.89Å; W161-F409 HydrophobicContact CZ3-CZ 3.89Å; S312-F409 WeakPolarHBondContact OG-CE2 3.42Å; F380-F409 HydrophobicContact CE1-CZ 4.07Å; F380-F409 HydrophobicContact CZ-CZ 4.23Å; T383-F409 PolarHBondContact O-N 3.17Å; E384-F409 HydrophobicContact CG-CB 4.29Å; E384-F409 HydrophobicContact CG-CD2 3.47Å; E384-F409 VanDerWaalsContact CG-CD2 3.47Å; E384-F409 HydrophobicContact CG-CE2 4.12Å; E384-F409 HydrophobicContact CG-CG 4.16Å; Y386-F409 HydrophobicContact CE1-CB 4.32Å; F407-F409 AromaticContact CE2-CD1 3.91Å; F407-F409 HydrophobicContact CE2-CD1 3.91Å; F407-F409 AromaticContact CE2-CE1 3.73Å; F407-F409 HydrophobicContact CE2-CE1 3.73Å; F407-F409 HydrophobicContact CE2-CZ 4.26Å; F409-N411 PolarHBondContact O-N 3.28Å; F409-M444 HydrophobicContact CB-CE 3.73Å; F409-M444 HydrophobicContact CB-SD 4.33Å; F409-M444 HydrophobicContact CD1-SD 4.08Å; F409-I477 HydrophobicContact CD1-CD1 3.64Å; F409-I477 HydrophobicContact CE1-CD1 3.74Å
410	N	98.4	Very high	97.5	Very high	1 Å²	1	47.6 Å²	47.6	1%	0.005	26%	0.255	C	S	.	.			trans	-90.3	102.1	-178.5	-178.5	3.2	0	0	0	112.2	P408 Y412 W431 N442 W443 M444	P408-N410 PolarHBondContact O-N 3.33Å; N410-Y412 VanDerWaalsContact OD1-CD2 3.32Å; N410-Y412 WeakPolarHBondContact OD1-CD2 3.46Å; N410-Y412 PolarHBondContact OD1-N 3.21Å; N410-W431 HydrophobicContact CB-CD2 4.26Å; N410-W431 HydrophobicContact CB-CE3 4Å; N410-W431 HydrophobicContact CB-CH2 3.53Å; N410-W431 HydrophobicContact CB-CZ2 3.79Å; N410-W431 HydrophobicContact CB-CZ3 3.65Å; N410-N442 WeakPolarHBondContact CB-O 3.3Å; N410-N442 PolarHBondContact N-ND2 3.08Å; N410-N442 PolarHBondContact ND2-O 3.26Å; N410-W443 VanDerWaalsContact ND2-CE3 3.28Å; N410-W443 WeakPolarHBondContact ND2-CZ3 3.46Å; N410-M444 VanDerWaalsContact C-CE 3.5Å; N410-M444 WeakPolarHBondContact O-CB 3.39Å; N410-M444 WeakPolarHBondContact O-CE 3.41Å; N410-M444 PolarHBondContact O-N 3.33Å
411	N	97.3	Very high	97.6	Very high	20 Å²	20	44.6 Å²	44.6	11%	0.107	25%	0.247	C	C	.	.			trans	-102.6	7.8	178.1	79.4	-34.7	0	0	0	114.2	Y386 F409 L413 S414 M415 M444	Y386-N411 HydrophobicContact CD1-CB 3.86Å; Y386-N411 VanDerWaalsContact CD1-ND2 3.32Å; Y386-N411 WeakPolarHBondContact CD1-ND2 3.4Å; Y386-N411 WeakPolarHBondContact CD1-OD1 3.29Å; Y386-N411 HydrophobicContact CE1-CB 3.68Å; F409-N411 PolarHBondContact O-N 3.28Å; N411-L413 VanDerWaalsContact C-N 3.29Å; N411-L413 PolarHBondContact O-N 2.85Å; N411-S414 WeakPolarHBondContact O-CA 3.29Å; N411-S414 WeakPolarHBondContact O-CB 3.26Å; N411-S414 PolarHBondContact O-N 3.04Å; N411-M415 PolarHBondContact O-N 2.81Å; N411-M444 HydrophobicContact CB-CE 3.64Å
412	Y	98	Very high	97.7	Very high	47 Å²	47	42.3 Å²	42.3	18%	0.184	24%	0.242	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.2	-31.9	-172.4	-70.8	-69.6	0	0	0	113.3	E388 I390 T393 N410 S414 M415 W431	E388-Y412 PolarHBondContact O-OH 3.5Å; I390-Y412 HydrophobicContact CD1-CD2 4.44Å; I390-Y412 HydrophobicContact CD1-CE2 3.69Å; I390-Y412 PolarHBondContact N-OH 3.42Å; T393-Y412 PolarHBondContact OG1-OH 3.43Å; N410-Y412 VanDerWaalsContact OD1-CD2 3.32Å; N410-Y412 WeakPolarHBondContact OD1-CD2 3.46Å; N410-Y412 PolarHBondContact OD1-N 3.21Å; Y412-S414 VanDerWaalsContact C-N 3.29Å; Y412-S414 PolarHBondContact O-N 2.59Å; Y412-M415 HydrophobicContact CD1-SD 4.22Å; Y412-M415 PolarHBondContact O-N 3.1Å; Y412-W431 HydrophobicContact CD2-CE3 4.04Å; Y412-W431 HydrophobicContact CD2-CZ3 4.17Å; Y412-W431 HydrophobicContact CE2-CE3 4.1Å; Y412-W431 AromaticContact CE2-CZ3 3.99Å; Y412-W431 HydrophobicContact CE2-CZ3 3.99Å
413	L	98.1	Very high	97.7	Very high	1 Å²	1	40.6 Å²	40.6	1%	0.005	24%	0.235	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68.6	-28.3	171.7	-72.1	174.3	0	0	0	112.7	N411 M415 L416 V427 W443 M444 I445 R456	N411-L413 VanDerWaalsContact C-N 3.29Å; N411-L413 PolarHBondContact O-N 2.85Å; L413-M415 VanDerWaalsContact C-N 3.27Å; L413-M415 PolarHBondContact O-N 3.38Å; L413-L416 HydrophobicContact CD2-CD1 4.05Å; L413-L416 PolarHBondContact O-N 2.58Å; L413-V427 HydrophobicContact CD2-CB 4.18Å; L413-V427 HydrophobicContact CD2-CG1 3.69Å; L413-V427 HydrophobicContact CG-CG1 3.81Å; L413-W443 HydrophobicContact CD1-CE3 3.83Å; L413-W443 HydrophobicContact CG-CE3 4.47Å; L413-M444 WeakPolarHBondContact CB-O 3.07Å; L413-I445 HydrophobicContact CB-CG2 4.22Å; L413-I445 HydrophobicContact CD1-CG2 4.19Å; L413-R456 PolarHBondContact O-NH2 3.3Å
414	S	97.4	Very high	97.7	Very high	5 Å²	5	36.9 Å²	36.9	4%	0.035	22%	0.22	C	C	.	.	T	Hydrogen-bonded Turn	trans	-71.9	-23.7	176.1	-57	0	0	0	0	112.3	N411 Y412 L416 M444 I445 G446 R456	N411-S414 WeakPolarHBondContact O-CA 3.29Å; N411-S414 WeakPolarHBondContact O-CB 3.26Å; N411-S414 PolarHBondContact O-N 3.04Å; Y412-S414 VanDerWaalsContact C-N 3.29Å; Y412-S414 PolarHBondContact O-N 2.59Å; S414-L416 VanDerWaalsContact C-N 3.31Å; S414-M444 PolarHBondContact OG-O 3.3Å; S414-I445 WeakPolarHBondContact OG-CA 3.01Å; S414-G446 PolarHBondContact OG-N 3.25Å; S414-R456 VanDerWaalsContact O-CZ 3.29Å; S414-R456 PolarHBondContact O-NE 3.38Å
415	M	95.8	Very high	97.7	Very high	102 Å²	102	43.8 Å²	43.8	50%	0.502	25%	0.247	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.2	-4.9	177.7	-62.3	-180	65.6	0	0	113.8	N411 Y412 L413 D417	N411-M415 PolarHBondContact O-N 2.81Å; Y412-M415 HydrophobicContact CD1-SD 4.22Å; Y412-M415 PolarHBondContact O-N 3.1Å; L413-M415 VanDerWaalsContact C-N 3.27Å; L413-M415 PolarHBondContact O-N 3.38Å; M415-D417 PolarHBondContact O-N 2.83Å
416	L	96.3	Very high	97.7	Very high	24 Å²	24	49.4 Å²	49.4	13%	0.126	27%	0.272	C	S	.	.			trans	-76.5	103.6	174.2	-64.3	-179.1	0	0	0	110.1	L413 S414 T418 V424 V427 R456 L457	L413-L416 HydrophobicContact CD2-CD1 4.05Å; L413-L416 PolarHBondContact O-N 2.58Å; S414-L416 VanDerWaalsContact C-N 3.31Å; L416-T418 VanDerWaalsContact C-N 3.34Å; L416-V424 HydrophobicContact CD1-CG2 4.32Å; L416-V427 HydrophobicContact CD1-CG2 4.36Å; L416-V427 HydrophobicContact CD2-CG2 4.21Å; L416-V427 HydrophobicContact CG-CG2 4.47Å; L416-R456 WeakPolarHBondContact O-CD 3.07Å; L416-R456 PolarHBondContact O-NE 2.81Å; L416-L457 WeakPolarHBondContact O-CD2 3.48Å
417	D	94.9	Very high	97.7	Very high	121 Å²	121	49.8 Å²	49.8	65%	0.647	28%	0.275	S	S	*	.	S	Bend	trans	-78.8	-20.3	171.3	-71.9	-34	0	0	0	112.7	M415	M415-D417 PolarHBondContact O-N 2.83Å
418	T	95.6	Very high	97.7	Very high	112 Å²	112	51.3 Å²	51.3	69%	0.687	28%	0.283	S	S	*	.	S	Bend	trans	-135.5	149.4	170.3	64.6	0	0	0	0	109.1	L416	L416-T418 VanDerWaalsContact C-N 3.34Å
419	V	97.1	Very high	97.7	Very high	33 Å²	33	52.7 Å²	52.7	20%	0.2	29%	0.291	C	S	.	.			trans	-117.6	132.1	-176.1	69.7	0	0	0	0	111.3	V424 L457 Y461	V419-V424 HydrophobicContact CG2-CG2 3.52Å; V419-L457 HydrophobicContact CB-CD1 4.12Å; V419-L457 HydrophobicContact CB-CD2 4.13Å; V419-L457 HydrophobicContact CG1-CD1 4.3Å; V419-L457 HydrophobicContact CG1-CD2 4.35Å; V419-Y461 HydrophobicContact CG1-CD1 3.78Å; V419-Y461 HydrophobicContact CG1-CD2 4.18Å; V419-Y461 HydrophobicContact CG1-CE1 3.49Å; V419-Y461 VanDerWaalsContact CG1-CE1 3.49Å; V419-Y461 HydrophobicContact CG1-CE2 3.89Å; V419-Y461 HydrophobicContact CG1-CG 4.12Å
420	S	98.2	Very high	97.7	Very high	58 Å²	58	54.4 Å²	54.4	41%	0.406	30%	0.304	S	S	.	.			trans	-141.9	163.1	173.1	72.5	0	0	0	0	109.9	N422 S423 V424	S420-N422 VanDerWaalsContact C-N 3.26Å; S420-N422 PolarHBondContact O-N 3.49Å; S420-S423 PolarHBondContact N-OG 3.19Å; S420-S423 PolarHBondContact O-N 3.16Å; S420-S423 PolarHBondContact O-OG 3.15Å; S420-S423 WeakPolarHBondContact OG-CB 3.48Å; S420-S423 PolarHBondContact OG-N 3.5Å; S420-S423 VanDerWaalsContact OG-N 3.07Å; S420-S423 PolarHBondContact OG-OG 3.45Å; S420-V424 WeakPolarHBondContact O-CG2 3.14Å; S420-V424 PolarHBondContact O-N 3.06Å; S420-V424 VanDerWaalsContact O-N 3.11Å
421	G	98.2	Very high	97.7	Very high	62 Å²	62	54.4 Å²	54.4	64%	0.639	30%	0.304	S	S	*	.	H	α-helix	trans	-58.1	-39.8	175.5	0	0	0	0	0	112.6	Y425	G421-Y425 VanDerWaalsContact O-CB 3.29Å; G421-Y425 WeakPolarHBondContact O-CB 3.42Å; G421-Y425 PolarHBondContact O-N 3.12Å
422	N	98.4	Very high	97.8	Very high	117 Å²	117	57 Å²	57	63%	0.626	32%	0.316	S	S	*	.	H	α-helix	trans	-67.2	-49.6	178.3	-70.8	88.7	0	0	0	112.5	S420 V424 Y425 E426	S420-N422 VanDerWaalsContact C-N 3.26Å; S420-N422 PolarHBondContact O-N 3.49Å; N422-V424 VanDerWaalsContact C-N 3.29Å; N422-V424 PolarHBondContact O-N 3.43Å; N422-Y425 WeakPolarHBondContact O-CB 3.35Å; N422-Y425 PolarHBondContact O-N 3.47Å; N422-E426 WeakPolarHBondContact O-CB 3.45Å; N422-E426 WeakPolarHBondContact O-CG 3.33Å; N422-E426 PolarHBondContact O-N 2.83Å
423	S	98.1	Very high	97.8	Very high	21 Å²	21	61.8 Å²	61.8	15%	0.147	34%	0.34	C	S	.	.	H	α-helix	trans	-62	-37.3	-179.2	58.4	0	0	0	0	112.4	S420 V427	S420-S423 PolarHBondContact N-OG 3.19Å; S420-S423 PolarHBondContact O-N 3.16Å; S420-S423 PolarHBondContact O-OG 3.15Å; S420-S423 WeakPolarHBondContact OG-CB 3.48Å; S420-S423 PolarHBondContact OG-N 3.5Å; S420-S423 VanDerWaalsContact OG-N 3.07Å; S420-S423 PolarHBondContact OG-OG 3.45Å; S423-V427 WeakPolarHBondContact O-CG2 3.37Å; S423-V427 PolarHBondContact O-N 2.98Å
424	V	98.6	Very high	97.8	Very high	25 Å²	25	65.1 Å²	65.1	15%	0.152	36%	0.358	C	S	.	.	H	α-helix	trans	-69.2	-45	176.4	172.8	0	0	0	0	110.6	L416 V419 S420 N422 E426 V427 I428 L468	L416-V424 HydrophobicContact CD1-CG2 4.32Å; V419-V424 HydrophobicContact CG2-CG2 3.52Å; S420-V424 WeakPolarHBondContact O-CG2 3.14Å; S420-V424 PolarHBondContact O-N 3.06Å; S420-V424 VanDerWaalsContact O-N 3.11Å; N422-V424 VanDerWaalsContact C-N 3.29Å; N422-V424 PolarHBondContact O-N 3.43Å; V424-E426 PolarHBondContact O-N 3.41Å; V424-V427 PolarHBondContact O-N 3.45Å; V424-I428 HydrophobicContact CG1-CD1 3.58Å; V424-I428 HydrophobicContact CG1-CG1 4.5Å; V424-I428 WeakPolarHBondContact O-CD1 3.38Å; V424-I428 VanDerWaalsContact O-CG1 3.29Å; V424-I428 WeakPolarHBondContact O-CG1 3.28Å; V424-I428 PolarHBondContact O-N 2.9Å; V424-I428 VanDerWaalsContact O-N 3.1Å; V424-L468 HydrophobicContact CG1-CD2 3.88Å
425	Y	98.7	Very high	97.8	Very high	147 Å²	147	66 Å²	66	58%	0.576	36%	0.362	S	S	*	.	H	α-helix	trans	-56.9	-50.1	176.2	179	-90.2	0	0	0	111.4	G421 N422 V427 I428 T429	G421-Y425 VanDerWaalsContact O-CB 3.29Å; G421-Y425 WeakPolarHBondContact O-CB 3.42Å; G421-Y425 PolarHBondContact O-N 3.12Å; N422-Y425 WeakPolarHBondContact O-CB 3.35Å; N422-Y425 PolarHBondContact O-N 3.47Å; Y425-V427 PolarHBondContact O-N 3.28Å; Y425-I428 PolarHBondContact O-N 3.19Å; Y425-T429 HydrophobicContact CD1-CG2 4.09Å; Y425-T429 HydrophobicContact CD2-CG2 4.18Å; Y425-T429 HydrophobicContact CE1-CG2 3.68Å; Y425-T429 HydrophobicContact CE2-CG2 3.8Å; Y425-T429 HydrophobicContact CG-CG2 4.32Å; Y425-T429 WeakPolarHBondContact O-CG2 3.31Å; Y425-T429 PolarHBondContact O-N 2.62Å; Y425-T429 PolarHBondContact O-OG1 3.35Å; Y425-T429 VanDerWaalsContact O-OG1 3.06Å
426	E	98.4	Very high	97.9	Very high	121 Å²	121	63.3 Å²	63.3	57%	0.565	35%	0.352	S	S	*	.	H	α-helix	trans	-60.4	-42.8	-178.6	-74.3	170.5	-169.7	0	0	112.6	N422 V424 T429 S430	N422-E426 WeakPolarHBondContact O-CB 3.45Å; N422-E426 WeakPolarHBondContact O-CG 3.33Å; N422-E426 PolarHBondContact O-N 2.83Å; V424-E426 PolarHBondContact O-N 3.41Å; E426-T429 PolarHBondContact O-OG1 2.88Å; E426-S430 WeakPolarHBondContact O-CB 3.3Å; E426-S430 PolarHBondContact O-N 3.2Å
427	V	98.4	Very high	98	Very high	24 Å²	24	71.9 Å²	71.9	15%	0.145	39%	0.391	C	S	.	.	H	α-helix	trans	-63.3	-44.6	177	170	0	0	0	0	111.1	L413 L416 S423 V424 Y425 W431	L413-V427 HydrophobicContact CD2-CB 4.18Å; L413-V427 HydrophobicContact CD2-CG1 3.69Å; L413-V427 HydrophobicContact CG-CG1 3.81Å; L416-V427 HydrophobicContact CD1-CG2 4.36Å; L416-V427 HydrophobicContact CD2-CG2 4.21Å; L416-V427 HydrophobicContact CG-CG2 4.47Å; S423-V427 WeakPolarHBondContact O-CG2 3.37Å; S423-V427 PolarHBondContact O-N 2.98Å; V424-V427 PolarHBondContact O-N 3.45Å; Y425-V427 PolarHBondContact O-N 3.28Å; V427-W431 PolarHBondContact O-N 2.9Å
428	I	98.7	Very high	98.1	Very high	32 Å²	32	70.1 Å²	70.1	16%	0.164	40%	0.402	C	S	.	.	H	α-helix	trans	-67	-50.7	-178.7	-66	161.6	0	0	0	110.7	V424 Y425 S430 W431 M432 W443 L468 L472	V424-I428 HydrophobicContact CG1-CD1 3.58Å; V424-I428 HydrophobicContact CG1-CG1 4.5Å; V424-I428 WeakPolarHBondContact O-CD1 3.38Å; V424-I428 VanDerWaalsContact O-CG1 3.29Å; V424-I428 WeakPolarHBondContact O-CG1 3.28Å; V424-I428 PolarHBondContact O-N 2.9Å; V424-I428 VanDerWaalsContact O-N 3.1Å; Y425-I428 PolarHBondContact O-N 3.19Å; I428-S430 PolarHBondContact O-N 3.47Å; I428-W431 PolarHBondContact O-N 3.29Å; I428-M432 HydrophobicContact CG2-CG 4.44Å; I428-M432 VanDerWaalsContact O-CG 3.31Å; I428-M432 WeakPolarHBondContact O-CG 3.35Å; I428-M432 PolarHBondContact O-N 2.91Å; I428-M432 VanDerWaalsContact O-N 3.14Å; I428-W443 HydrophobicContact CB-CH2 4.23Å; I428-W443 HydrophobicContact CB-CZ3 4.49Å; I428-W443 HydrophobicContact CG1-CH2 4.22Å; I428-W443 HydrophobicContact CG1-CZ3 4.11Å; I428-W443 HydrophobicContact CG2-CH2 4.03Å; I428-L468 HydrophobicContact CD1-CD1 4.1Å; I428-L472 HydrophobicContact CD1-CD1 4.33Å; I428-L472 HydrophobicContact CD1-CD2 4Å; I428-L472 HydrophobicContact CG1-CD1 4.24Å; I428-L472 HydrophobicContact CG1-CD2 4.19Å; I428-L472 HydrophobicContact CG2-CD2 3.96Å
429	T	98.5	Very high	98.2	Very high	29 Å²	29	67 Å²	67	18%	0.178	38%	0.379	C	S	.	.	H	α-helix	trans	-66.3	-39.3	-177.8	56.9	0	0	0	0	111.5	Y425 E426 W431 M432 E433	Y425-T429 HydrophobicContact CD1-CG2 4.09Å; Y425-T429 HydrophobicContact CD2-CG2 4.18Å; Y425-T429 HydrophobicContact CE1-CG2 3.68Å; Y425-T429 HydrophobicContact CE2-CG2 3.8Å; Y425-T429 HydrophobicContact CG-CG2 4.32Å; Y425-T429 WeakPolarHBondContact O-CG2 3.31Å; Y425-T429 PolarHBondContact O-N 2.62Å; Y425-T429 PolarHBondContact O-OG1 3.35Å; Y425-T429 VanDerWaalsContact O-OG1 3.06Å; E426-T429 PolarHBondContact O-OG1 2.88Å; T429-W431 VanDerWaalsContact C-N 3.33Å; T429-W431 PolarHBondContact O-N 3.36Å; T429-M432 PolarHBondContact O-N 2.84Å; T429-E433 VanDerWaalsContact O-CB 3.25Å; T429-E433 WeakPolarHBondContact O-CB 3.47Å; T429-E433 VanDerWaalsContact O-CG 3.22Å; T429-E433 WeakPolarHBondContact O-CG 3.45Å; T429-E433 PolarHBondContact O-N 2.92Å
430	S	98.4	Very high	98.3	Very high	41 Å²	41	68.3 Å²	68.3	29%	0.287	38%	0.38	S	S	.	.	H	α-helix	trans	-55.7	-46.3	177	-179.5	0	0	0	0	111.9	E426 I428 N434	E426-S430 WeakPolarHBondContact O-CB 3.3Å; E426-S430 PolarHBondContact O-N 3.2Å; I428-S430 PolarHBondContact O-N 3.47Å; S430-N434 WeakPolarHBondContact O-CB 3.2Å; S430-N434 PolarHBondContact O-N 3.23Å; S430-N434 PolarHBondContact O-ND2 3.15Å
431	W	98.6	Very high	98.3	Very high	1 Å²	1	65.9 Å²	65.9	0%	0.004	36%	0.363	C	S	.	.	H	α-helix	trans	-65.9	-49.1	177.4	-170.6	-89.2	0	0	0	112.1	I390 T393 Y397 P408 N410 Y412 V427 I428 T429 E433 N434 M435 W443	I390-W431 HydrophobicContact CD1-CD2 4.4Å; I390-W431 HydrophobicContact CD1-CE3 3.53Å; I390-W431 HydrophobicContact CD1-CZ3 4Å; T393-W431 HydrophobicContact CG2-CH2 4.12Å; T393-W431 HydrophobicContact CG2-CZ3 3.93Å; Y397-W431 HydrophobicContact CE2-CZ2 4.1Å; Y397-W431 WeakPolarHBondContact OH-CZ2 3.4Å; Y397-W431 PolarHBondContact OH-NE1 3.19Å; P408-W431 HydrophobicContact CG-CH2 3.98Å; P408-W431 HydrophobicContact CG-CZ2 4.35Å; N410-W431 HydrophobicContact CB-CD2 4.26Å; N410-W431 HydrophobicContact CB-CE3 4Å; N410-W431 HydrophobicContact CB-CH2 3.53Å; N410-W431 HydrophobicContact CB-CZ2 3.79Å; N410-W431 HydrophobicContact CB-CZ3 3.65Å; Y412-W431 HydrophobicContact CD2-CE3 4.04Å; Y412-W431 HydrophobicContact CD2-CZ3 4.17Å; Y412-W431 HydrophobicContact CE2-CE3 4.1Å; Y412-W431 AromaticContact CE2-CZ3 3.99Å; Y412-W431 HydrophobicContact CE2-CZ3 3.99Å; V427-W431 PolarHBondContact O-N 2.9Å; I428-W431 PolarHBondContact O-N 3.29Å; T429-W431 VanDerWaalsContact C-N 3.33Å; T429-W431 PolarHBondContact O-N 3.36Å; W431-E433 VanDerWaalsContact C-N 3.32Å; W431-E433 PolarHBondContact O-N 3.15Å; W431-N434 PolarHBondContact O-N 3.36Å; W431-M435 VanDerWaalsContact O-CB 3.24Å; W431-M435 WeakPolarHBondContact O-CB 3.22Å; W431-M435 PolarHBondContact O-N 2.89Å; W431-W443 HydrophobicContact CB-CH2 4.08Å; W431-W443 HydrophobicContact CB-CZ3 4.39Å; W431-W443 HydrophobicContact CG-CH2 4.4Å
432	M	98.6	Very high	98.3	Very high	75 Å²	75	62.9 Å²	62.9	37%	0.369	33%	0.332	S	S	.	.	H	α-helix	trans	-68.8	-28.2	-174.1	-63.6	-55.5	-61.7	0	0	113.5	I428 T429 M435 P441 W443 P473	I428-M432 HydrophobicContact CG2-CG 4.44Å; I428-M432 VanDerWaalsContact O-CG 3.31Å; I428-M432 WeakPolarHBondContact O-CG 3.35Å; I428-M432 PolarHBondContact O-N 2.91Å; I428-M432 VanDerWaalsContact O-N 3.14Å; T429-M432 PolarHBondContact O-N 2.84Å; M432-M435 HydrophobicContact CE-CE 4.34Å; M432-P441 HydrophobicContact CE-CG 4.26Å; M432-P441 HydrophobicContact SD-CB 3.96Å; M432-P441 HydrophobicContact SD-CG 3.97Å; M432-W443 HydrophobicContact CG-CH2 4.37Å; M432-W443 HydrophobicContact CG-CZ2 4.36Å; M432-W443 HydrophobicContact SD-CH2 4.42Å; M432-W443 HydrophobicContact SD-CZ2 3.92Å; M432-P473 HydrophobicContact CE-CG 4.05Å; M432-P473 HydrophobicContact SD-CG 4.35Å
433	E	98.3	Very high	98.3	Very high	146 Å²	146	57.4 Å²	57.4	68%	0.682	30%	0.303	S	S	*	.	H	α-helix	trans	-83.1	-31.1	178.1	-70.2	171.9	178.5	0	0	113	T429 W431	T429-E433 VanDerWaalsContact O-CB 3.25Å; T429-E433 WeakPolarHBondContact O-CB 3.47Å; T429-E433 VanDerWaalsContact O-CG 3.22Å; T429-E433 WeakPolarHBondContact O-CG 3.45Å; T429-E433 PolarHBondContact O-N 2.92Å; W431-E433 VanDerWaalsContact C-N 3.32Å; W431-E433 PolarHBondContact O-N 3.15Å
434	N	98.4	Very high	98.4	Very high	72 Å²	72	56.6 Å²	56.6	39%	0.385	30%	0.297	S	S	.	.	H	α-helix	trans	-93.1	-24.8	-177.3	-72.4	-84.6	0	0	0	113.4	I390 V394 S430 W431	I390-N434 HydrophobicContact CG1-CB 3.87Å; V394-N434 HydrophobicContact CG1-CB 4.15Å; S430-N434 WeakPolarHBondContact O-CB 3.2Å; S430-N434 PolarHBondContact O-N 3.23Å; S430-N434 PolarHBondContact O-ND2 3.15Å; W431-N434 PolarHBondContact O-N 3.36Å
435	M	98.1	Very high	98.4	Very high	22 Å²	22	55.5 Å²	55.5	11%	0.108	29%	0.29	C	S	.	.	S	Bend	trans	-63.7	137.2	175.7	178.1	-178.5	73.6	0	0	110.6	Y397 W431 M432 K439 P441	Y397-M435 HydrophobicContact CD2-CG 4.09Å; Y397-M435 HydrophobicContact CE1-CG 4.42Å; Y397-M435 HydrophobicContact CE1-SD 4.19Å; Y397-M435 HydrophobicContact CE2-CB 4.23Å; Y397-M435 HydrophobicContact CE2-CG 3.57Å; Y397-M435 HydrophobicContact CE2-SD 4.06Å; Y397-M435 VanDerWaalsContact CZ-SD 3.6Å; Y397-M435 PolarHBondContact OH-SD 2.56Å; Y397-M435 VanDerWaalsContact OH-SD 3.32Å; W431-M435 VanDerWaalsContact O-CB 3.24Å; W431-M435 WeakPolarHBondContact O-CB 3.22Å; W431-M435 PolarHBondContact O-N 2.89Å; M432-M435 HydrophobicContact CE-CE 4.34Å; M435-K439 HydrophobicContact CE-CB 4.39Å; M435-K439 WeakPolarHBondContact CE-O 3.47Å; M435-K439 HydrophobicContact CG-CB 3.72Å; M435-K439 HydrophobicContact SD-CB 3.81Å; M435-P441 HydrophobicContact CE-CB 4.25Å; M435-P441 HydrophobicContact CE-CG 4.29Å; M435-P441 HydrophobicContact SD-CB 4.01Å
436	P	98.3	Very high	98.3	Very high	46 Å²	46	48.7 Å²	48.7	30%	0.299	27%	0.265	S	S	.	.	P	Polyproline II helix	trans	-58.6	144.5	176.9	-22.2	31.8	0	0	0	112.7	G438 K439	P436-G438 PolarHBondContact O-N 3Å; P436-K439 HydrophobicContact CB-CG 3.83Å; P436-K439 HydrophobicContact CG-CG 4.24Å; P436-K439 VanDerWaalsContact O-CB 3.31Å; P436-K439 WeakPolarHBondContact O-CB 3.31Å; P436-K439 WeakPolarHBondContact O-CG 3.39Å; P436-K439 PolarHBondContact O-N 3.44Å; P436-K439 VanDerWaalsContact O-N 3.15Å
437	E	97.5	Very high	98.3	Very high	204 Å²	204	43.3 Å²	43.3	95%	0.953	24%	0.242	S	C	*	.	T	Hydrogen-bonded Turn	trans	-56.3	136.2	-179.9	-170.6	179.6	-179.5	0	0	111.7	K439	E437-K439 PolarHBondContact O-N 3.34Å
438	G	96	Very high	98.1	Very high	84 Å²	84	43.1 Å²	43.1	87%	0.866	24%	0.241	S	C	*	.	T	Hydrogen-bonded Turn	trans	77.8	-0.5	-179.8	0	0	0	0	0	115.2	P436	P436-G438 PolarHBondContact O-N 3Å
439	K	98.4	Very high	97.9	Very high	48 Å²	48	44.4 Å²	44.4	21%	0.209	25%	0.248	C	C	.	.			trans	-78.6	162.7	170.8	-64.5	-70	179.5	165.9	0	111.6	Y397 M435 P436 E437	Y397-K439 HydrophobicContact CD1-CB 3.84Å; Y397-K439 HydrophobicContact CD1-CD 3.9Å; Y397-K439 HydrophobicContact CD1-CG 3.97Å; Y397-K439 HydrophobicContact CE1-CB 3.94Å; Y397-K439 HydrophobicContact CG-CB 4.31Å; Y397-K439 HydrophobicContact CG-CD 4.31Å; Y397-K439 HydrophobicContact CG-CG 4.15Å; Y397-K439 WeakPolarHBondContact O-CE 3.24Å; Y397-K439 PolarHBondContact O-NZ 3.09Å; M435-K439 HydrophobicContact CE-CB 4.39Å; M435-K439 WeakPolarHBondContact CE-O 3.47Å; M435-K439 HydrophobicContact CG-CB 3.72Å; M435-K439 HydrophobicContact SD-CB 3.81Å; P436-K439 HydrophobicContact CB-CG 3.83Å; P436-K439 HydrophobicContact CG-CG 4.24Å; P436-K439 VanDerWaalsContact O-CB 3.31Å; P436-K439 WeakPolarHBondContact O-CB 3.31Å; P436-K439 WeakPolarHBondContact O-CG 3.39Å; P436-K439 PolarHBondContact O-N 3.44Å; P436-K439 VanDerWaalsContact O-N 3.15Å; E437-K439 PolarHBondContact O-N 3.34Å
440	W	98.8	Very high	97.8	Very high	60 Å²	60	44.3 Å²	44.3	23%	0.227	25%	0.249	C	C	.	.			trans	-104.3	119.2	-173.1	-167.4	-93.7	0	0	0	110.8	L115 W118 Q119 Y397 T475	L115-W440 HydrophobicContact CD2-CE3 4.34Å; L115-W440 HydrophobicContact CD2-CH2 3.54Å; L115-W440 HydrophobicContact CD2-CZ2 4.37Å; L115-W440 HydrophobicContact CD2-CZ3 3.52Å; W118-W440 HydrophobicContact CH2-CB 3.74Å; W118-W440 HydrophobicContact CH2-CG 4.08Å; W118-W440 HydrophobicContact CZ3-CB 3.67Å; W118-W440 AromaticContact CZ3-CD1 3.44Å; W118-W440 VanDerWaalsContact CZ3-CD1 3.44Å; W118-W440 AromaticContact CZ3-CG 3.63Å; W118-W440 HydrophobicContact CZ3-CG 3.63Å; Q119-W440 HydrophobicContact CB-CD2 4.08Å; Q119-W440 HydrophobicContact CB-CH2 4.16Å; Q119-W440 HydrophobicContact CB-CZ2 3.68Å; Q119-W440 HydrophobicContact CG-CD2 3.85Å; Q119-W440 HydrophobicContact CG-CE3 4.37Å; Q119-W440 HydrophobicContact CG-CG 4.04Å; Q119-W440 HydrophobicContact CG-CZ2 4.39Å; Q119-W440 VanDerWaalsContact O-CZ2 3.28Å; Q119-W440 WeakPolarHBondContact O-CZ2 3.46Å; Y397-W440 WeakPolarHBondContact CE1-O 3.29Å; Y397-W440 PolarHBondContact OH-O 2.77Å; W440-T475 PolarHBondContact NE1-OG1 3.11Å
441	P	98.8	Very high	97.7	Very high	6 Å²	6	43 Å²	43	4%	0.039	24%	0.24	C	C	.	.			trans	-79.8	166.8	179.5	32.1	-31.6	0	0	0	111.8	M432 M435 W443 P473 G474 T475	M432-P441 HydrophobicContact CE-CG 4.26Å; M432-P441 HydrophobicContact SD-CB 3.96Å; M432-P441 HydrophobicContact SD-CG 3.97Å; M435-P441 HydrophobicContact CE-CB 4.25Å; M435-P441 HydrophobicContact CE-CG 4.29Å; M435-P441 HydrophobicContact SD-CB 4.01Å; P441-W443 HydrophobicContact CB-CZ2 4.47Å; P441-P473 HydrophobicContact CG-CB 4.48Å; P441-P473 HydrophobicContact CG-CG 4.43Å; P441-P473 WeakPolarHBondContact CG-O 3.43Å; P441-G474 CarbonylContact O-C 3.55Å; P441-G474 WeakPolarHBondContact O-CA 3.49Å; P441-T475 PolarHBondContact O-N 3.38Å
442	N	98.9	Very high	97.7	Very high	0 Å²	0	43.2 Å²	43.2	0%	0	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.3	164.9	172.2	67.5	-54.1	0	0	0	110.1	F407 P408 N410 T475 I477	F407-N442 HydrophobicContact CD1-CB 4.3Å; F407-N442 HydrophobicContact CD2-CB 3.99Å; F407-N442 WeakPolarHBondContact CD2-ND2 3.37Å; F407-N442 HydrophobicContact CE1-CB 4.22Å; F407-N442 HydrophobicContact CE2-CB 3.94Å; F407-N442 WeakPolarHBondContact CE2-ND2 3.37Å; F407-N442 HydrophobicContact CG-CB 4.18Å; F407-N442 HydrophobicContact CZ-CB 4.06Å; P408-N442 PolarHBondContact O-OD1 3.14Å; P408-N442 VanDerWaalsContact O-OD1 3.04Å; N410-N442 WeakPolarHBondContact CB-O 3.3Å; N410-N442 PolarHBondContact N-ND2 3.08Å; N410-N442 PolarHBondContact ND2-O 3.26Å; N442-T475 VanDerWaalsContact CA-O 3.28Å; N442-T475 WeakPolarHBondContact CA-O 3.26Å; N442-T475 WeakPolarHBondContact CB-O 3.33Å; N442-I477 HydrophobicContact CB-CD1 4.23Å; N442-I477 WeakPolarHBondContact ND2-CD1 3.34Å
443	W	98.9	Very high	97.7	Very high	1 Å²	1	40 Å²	40	0%	0.004	23%	0.225	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-144.7	134.4	-173.3	-52.8	94.9	0	0	0	111.5	N410 L413 I428 W431 M432 P441 L469 L472 P473 T475 I477	N410-W443 VanDerWaalsContact ND2-CE3 3.28Å; N410-W443 WeakPolarHBondContact ND2-CZ3 3.46Å; L413-W443 HydrophobicContact CD1-CE3 3.83Å; L413-W443 HydrophobicContact CG-CE3 4.47Å; I428-W443 HydrophobicContact CB-CH2 4.23Å; I428-W443 HydrophobicContact CB-CZ3 4.49Å; I428-W443 HydrophobicContact CG1-CH2 4.22Å; I428-W443 HydrophobicContact CG1-CZ3 4.11Å; I428-W443 HydrophobicContact CG2-CH2 4.03Å; W431-W443 HydrophobicContact CB-CH2 4.08Å; W431-W443 HydrophobicContact CB-CZ3 4.39Å; W431-W443 HydrophobicContact CG-CH2 4.4Å; M432-W443 HydrophobicContact CG-CH2 4.37Å; M432-W443 HydrophobicContact CG-CZ2 4.36Å; M432-W443 HydrophobicContact SD-CH2 4.42Å; M432-W443 HydrophobicContact SD-CZ2 3.92Å; P441-W443 HydrophobicContact CB-CZ2 4.47Å; W443-L469 HydrophobicContact CB-CD1 3.63Å; W443-L469 VanDerWaalsContact O-CD1 3.29Å; W443-L469 WeakPolarHBondContact O-CD1 3.38Å; W443-L472 HydrophobicContact CD2-CB 4.38Å; W443-L472 HydrophobicContact CD2-CD1 3.6Å; W443-L472 HydrophobicContact CE3-CD1 3.86Å; W443-L472 HydrophobicContact CG-CB 4.33Å; W443-L472 HydrophobicContact CG-CD1 3.97Å; W443-L472 HydrophobicContact CH2-CD1 4.43Å; W443-L472 HydrophobicContact CZ2-CB 4.46Å; W443-L472 HydrophobicContact CZ2-CD1 4.19Å; W443-L472 HydrophobicContact CZ2-CD2 4.41Å; W443-L472 HydrophobicContact CZ3-CD1 4.26Å; W443-P473 PolarHBondContact NE1-O 2.04Å; W443-T475 PolarHBondContact N-O 3.49Å; W443-T475 VanDerWaalsContact N-O 3.17Å; W443-I477 PolarHBondContact O-N 3.38Å
444	M	98.8	Very high	97.6	Very high	5 Å²	5	34.1 Å²	34.1	3%	0.025	20%	0.199	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.5	136.5	173.1	-64.4	-178.8	-54.2	0	0	110.6	W161 Y386 F409 N410 N411 L413 S414 I477	W161-M444 HydrophobicContact CZ3-SD 4.28Å; Y386-M444 HydrophobicContact CE1-CE 4.12Å; F409-M444 HydrophobicContact CB-CE 3.73Å; F409-M444 HydrophobicContact CB-SD 4.33Å; F409-M444 HydrophobicContact CD1-SD 4.08Å; N410-M444 VanDerWaalsContact C-CE 3.5Å; N410-M444 WeakPolarHBondContact O-CB 3.39Å; N410-M444 WeakPolarHBondContact O-CE 3.41Å; N410-M444 PolarHBondContact O-N 3.33Å; N411-M444 HydrophobicContact CB-CE 3.64Å; L413-M444 WeakPolarHBondContact CB-O 3.07Å; S414-M444 PolarHBondContact OG-O 3.3Å; M444-I477 HydrophobicContact CG-CB 3.67Å; M444-I477 HydrophobicContact CG-CD1 3.93Å; M444-I477 HydrophobicContact CG-CG1 4.33Å; M444-I477 HydrophobicContact CG-CG2 3.83Å; M444-I477 HydrophobicContact SD-CD1 4.2Å; M444-I477 HydrophobicContact SD-CG2 4.13Å
445	I	98.6	Very high	97.6	Very high	1 Å²	1	33.5 Å²	33.5	1%	0.005	20%	0.2	C	C	.	.	S	Bend	trans	-111.6	-3.2	176.8	61.4	178	0	0	0	113.3	L413 S414 L453 R456 M465 N466 L469	L413-I445 HydrophobicContact CB-CG2 4.22Å; L413-I445 HydrophobicContact CD1-CG2 4.19Å; S414-I445 WeakPolarHBondContact OG-CA 3.01Å; I445-L453 HydrophobicContact CB-CD1 4.47Å; I445-L453 HydrophobicContact CD1-CD2 4.2Å; I445-R456 PolarHBondContact O-NH1 2.83Å; I445-R456 PolarHBondContact O-NH2 3Å; I445-M465 HydrophobicContact CD1-CB 4.14Å; I445-M465 HydrophobicContact CG2-CE 3.91Å; I445-N466 WeakPolarHBondContact CD1-OD1 3.14Å; I445-L469 HydrophobicContact CD1-CD2 4.1Å; I445-L469 HydrophobicContact CG1-CD2 4.32Å
446	G	97.6	Very high	97.6	Very high	5 Å²	5	33.7 Å²	33.7	5%	0.052	20%	0.2	C	C	.	.			trans	-165.4	-175.9	173.4	0	0	0	0	0	111.5	S414 E482	S414-G446 PolarHBondContact OG-N 3.25Å; G446-E482 VanDerWaalsContact CA-OE1 3.23Å; G446-E482 WeakPolarHBondContact CA-OE1 3.45Å; G446-E482 PolarHBondContact N-OE1 2.98Å
447	G	97.1	Very high	97.6	Very high	8 Å²	8	32.6 Å²	32.6	8%	0.082	19%	0.191	C	C	.	.			trans	171.7	178.1	-177.7	0	0	0	0	0	110.5	D449 S450	G447-D449 PolarHBondContact O-N 3.49Å; G447-S450 PolarHBondContact O-N 2.58Å
448	P	95.8	Very high	97.6	Very high	20 Å²	20	24 Å²	24	13%	0.13	16%	0.157	C	C	.	.	T	Hydrogen-bonded Turn	trans	-65.9	-24.4	-175.6	26.1	-35	0	0	0	114	Y479 K506	P448-Y479 HydrophobicContact CB-CE2 4.14Å; P448-Y479 HydrophobicContact CG-CE2 4.48Å; P448-K506 WeakPolarHBondContact O-CE 3.22Å
449	D	94.1	Very high	97.6	Very high	58 Å²	58	25.8 Å²	25.8	31%	0.31	15%	0.147	S	C	.	.	T	Hydrogen-bonded Turn	trans	-96.9	-3.3	179.9	-66.6	-19.1	0	0	0	113.2	R174 G447	R174-D449 IonicContact CZ-OD2 2.76Å; R174-D449 IonicContact NH1-OD2 2.8Å; R174-D449 PolarHBondContact NH1-OD2 3.17Å; R174-D449 IonicContact NH2-OD2 3.21Å; R174-D449 PolarHBondContact NH2-OD2 3.07Å; G447-D449 PolarHBondContact O-N 3.49Å
450	S	95	Very high	97.6	Very high	27 Å²	27	30.8 Å²	30.8	19%	0.189	17%	0.171	C	C	.	.	S	Bend	trans	-109.3	142	-178.3	-66.2	0	0	0	0	111.1	G447 R452 S505	G447-S450 PolarHBondContact O-N 2.58Å; S450-R452 PolarHBondContact O-N 3.25Å; S450-S505 VanDerWaalsContact O-CB 3.26Å; S450-S505 WeakPolarHBondContact O-CB 3.41Å; S450-S505 PolarHBondContact O-OG 3.38Å
451	S	97.3	Very high	97.6	Very high	14 Å²	14	31.6 Å²	31.6	10%	0.098	18%	0.175	C	C	.	.			trans	-54	134.9	169.1	173.8	0	0	0	0	110.3	R456 N488 S505	S451-R456 PolarHBondContact O-NH1 3.26Å; S451-N488 PolarHBondContact OG-ND2 3.35Å; S451-S505 WeakPolarHBondContact CA-OG 3.48Å
452	R	98.4	Very high	97.5	Very high	5 Å²	5	32 Å²	32	2%	0.019	18%	0.177	C	C	.	.			trans	-56.8	143.5	177.7	-72.8	-179	169.9	-77.9	-2.5	111.3	S450 T454 S455 R456 Y480 M486 G487 N488 S505	S450-R452 PolarHBondContact O-N 3.25Å; R452-T454 PolarHBondContact O-N 3.18Å; R452-S455 PolarHBondContact O-N 2.83Å; R452-R456 WeakPolarHBondContact O-CB 3.42Å; R452-R456 PolarHBondContact O-N 3.32Å; R452-Y480 PolarHBondContact NH1-O 3.21Å; R452-Y480 PolarHBondContact NH2-O 3.21Å; R452-Y480 VanDerWaalsContact NH2-O 3.15Å; R452-Y480 PolarHBondContact NH2-OH 3.04Å; R452-M486 WeakPolarHBondContact CD-O 3.4Å; R452-G487 WeakPolarHBondContact CD-O 3.42Å; R452-N488 WeakPolarHBondContact CB-OD1 3.27Å; R452-N488 PolarHBondContact N-OD1 2.69Å; R452-S505 PolarHBondContact N-OG 2.86Å; R452-S505 PolarHBondContact NE-O 2.89Å; R452-S505 PolarHBondContact NH2-O 3.19Å
453	L	98.3	Very high	97.5	Very high	8 Å²	8	38.2 Å²	38.2	4%	0.042	21%	0.21	C	C	.	.	H	α-helix	trans	-54.1	-48.5	-170.2	-174.4	78.1	0	0	0	113.7	I445 S455 R456 L457 M465	I445-L453 HydrophobicContact CB-CD1 4.47Å; I445-L453 HydrophobicContact CD1-CD2 4.2Å; L453-S455 PolarHBondContact O-N 3.27Å; L453-R456 PolarHBondContact O-N 3.19Å; L453-R456 VanDerWaalsContact O-N 3.12Å; L453-L457 HydrophobicContact CD1-CD1 3.75Å; L453-L457 HydrophobicContact CD1-CG 4.35Å; L453-L457 PolarHBondContact O-N 3.25Å; L453-M465 HydrophobicContact CD1-CB 4.33Å; L453-M465 HydrophobicContact CD1-CG 4.15Å; L453-M465 HydrophobicContact CD2-CB 3.72Å; L453-M465 HydrophobicContact CD2-CG 4.14Å
454	T	97.6	Very high	97.5	Very high	23 Å²	23	41.7 Å²	41.7	14%	0.141	23%	0.231	C	C	.	.	H	α-helix	trans	-62.7	-32.1	-179	-168.6	0	0	0	0	112.3	R452 G458 N459 G485 M486	R452-T454 PolarHBondContact O-N 3.18Å; T454-G458 CarbonylContact O-C 3.52Å; T454-G458 WeakPolarHBondContact O-CA 3.36Å; T454-G458 PolarHBondContact O-N 3.11Å; T454-N459 WeakPolarHBondContact OG1-CA 3.34Å; T454-G485 WeakPolarHBondContact CG2-O 3.37Å; T454-M486 VanDerWaalsContact CG2-O 3.22Å; T454-M486 WeakPolarHBondContact CG2-O 3.49Å
455	S	97.7	Very high	97.5	Very high	59 Å²	59	41.7 Å²	41.7	41%	0.413	23%	0.232	S	C	.	.	H	α-helix	trans	-82.3	-27.6	176.1	-59.8	0	0	0	0	112.6	R452 L453 N488	R452-S455 PolarHBondContact O-N 2.83Å; L453-S455 PolarHBondContact O-N 3.27Å; S455-N488 WeakPolarHBondContact CB-ND2 3.21Å; S455-N488 PolarHBondContact OG-N 2.72Å
456	R	97.8	Very high	97.5	Very high	26 Å²	26	43 Å²	43	10%	0.098	24%	0.239	C	C	.	.	H	α-helix	trans	-79	-47.8	179.6	-165.9	169.6	72.9	-119.6	5.9	111.9	L413 S414 L416 I445 S451 R452 L453	L413-R456 PolarHBondContact O-NH2 3.3Å; S414-R456 VanDerWaalsContact O-CZ 3.29Å; S414-R456 PolarHBondContact O-NE 3.38Å; L416-R456 WeakPolarHBondContact O-CD 3.07Å; L416-R456 PolarHBondContact O-NE 2.81Å; I445-R456 PolarHBondContact O-NH1 2.83Å; I445-R456 PolarHBondContact O-NH2 3Å; S451-R456 PolarHBondContact O-NH1 3.26Å; R452-R456 WeakPolarHBondContact O-CB 3.42Å; R452-R456 PolarHBondContact O-N 3.32Å; L453-R456 PolarHBondContact O-N 3.19Å; L453-R456 VanDerWaalsContact O-N 3.12Å
457	L	97.9	Very high	97.5	Very high	22 Å²	22	48.9 Å²	48.9	12%	0.115	27%	0.266	C	S	.	.	T	Hydrogen-bonded Turn	trans	-111.6	-24.2	-173.9	-59	-177.3	0	0	0	113.8	L416 V419 L453 Y461 M465	L416-L457 WeakPolarHBondContact O-CD2 3.48Å; V419-L457 HydrophobicContact CB-CD1 4.12Å; V419-L457 HydrophobicContact CB-CD2 4.13Å; V419-L457 HydrophobicContact CG1-CD1 4.3Å; V419-L457 HydrophobicContact CG1-CD2 4.35Å; L453-L457 HydrophobicContact CD1-CD1 3.75Å; L453-L457 HydrophobicContact CD1-CG 4.35Å; L453-L457 PolarHBondContact O-N 3.25Å; L457-Y461 HydrophobicContact CB-CD2 3.93Å; L457-Y461 HydrophobicContact CB-CG 4.3Å; L457-Y461 WeakPolarHBondContact O-CD2 3.23Å; L457-Y461 WeakPolarHBondContact O-CE2 3.33Å; L457-M465 HydrophobicContact CD1-CG 4.39Å; L457-M465 HydrophobicContact CD1-SD 4.5Å
458	G	97.1	Very high	97.6	Very high	23 Å²	23	50.1 Å²	50.1	24%	0.237	27%	0.271	C	S	.	.			trans	108	151.1	-175.2	0	0	0	0	0	113.4	T454 Q460 Y461	T454-G458 CarbonylContact O-C 3.52Å; T454-G458 WeakPolarHBondContact O-CA 3.36Å; T454-G458 PolarHBondContact O-N 3.11Å; G458-Q460 PolarHBondContact O-N 3.07Å; G458-Q460 VanDerWaalsContact O-N 3.15Å; G458-Y461 PolarHBondContact O-N 2.75Å
459	N	96.8	Very high	97.7	Very high	123 Å²	123	49.2 Å²	49.2	66%	0.658	27%	0.265	S	S	*	.	G	3₁₀ helix	trans	-53.7	-37.6	-176.1	-174.6	-62.6	0	0	0	113.4	T454 Y461 V462	T454-N459 WeakPolarHBondContact OG1-CA 3.34Å; N459-Y461 PolarHBondContact O-N 3.17Å; N459-V462 WeakPolarHBondContact O-CG2 3.21Å; N459-V462 PolarHBondContact O-N 3.5Å; N459-V462 VanDerWaalsContact O-N 3.09Å
460	Q	97.9	Very high	98	Very high	152 Å²	152	51.7 Å²	51.7	71%	0.71	27%	0.273	S	S	*	.	G	3₁₀ helix	trans	-57.8	-19.6	178.4	68.3	-153.6	14.7	0	0	114.8	G458	G458-Q460 PolarHBondContact O-N 3.07Å; G458-Q460 VanDerWaalsContact O-N 3.15Å
461	Y	98.4	Very high	98.1	Very high	78 Å²	78	55.4 Å²	55.4	31%	0.306	29%	0.294	S	S	.	.	G	3₁₀ helix	trans	-96.7	-6.6	-179.8	-65.6	-74	0	0	0	114.6	V419 L457 G458 N459 N463 V464 M465	V419-Y461 HydrophobicContact CG1-CD1 3.78Å; V419-Y461 HydrophobicContact CG1-CD2 4.18Å; V419-Y461 HydrophobicContact CG1-CE1 3.49Å; V419-Y461 VanDerWaalsContact CG1-CE1 3.49Å; V419-Y461 HydrophobicContact CG1-CE2 3.89Å; V419-Y461 HydrophobicContact CG1-CG 4.12Å; L457-Y461 HydrophobicContact CB-CD2 3.93Å; L457-Y461 HydrophobicContact CB-CG 4.3Å; L457-Y461 WeakPolarHBondContact O-CD2 3.23Å; L457-Y461 WeakPolarHBondContact O-CE2 3.33Å; G458-Y461 PolarHBondContact O-N 2.75Å; N459-Y461 PolarHBondContact O-N 3.17Å; Y461-N463 PolarHBondContact O-N 2.91Å; Y461-V464 HydrophobicContact CD1-CG1 3.95Å; Y461-V464 WeakPolarHBondContact O-CG1 3.14Å; Y461-V464 PolarHBondContact O-N 2.99Å; Y461-M465 WeakPolarHBondContact O-CB 3.2Å; Y461-M465 VanDerWaalsContact O-CG 3.22Å; Y461-M465 WeakPolarHBondContact O-CG 3.43Å; Y461-M465 PolarHBondContact O-N 3.12Å
462	V	98	Very high	98.2	Very high	13 Å²	13	56 Å²	56	8%	0.079	30%	0.297	C	S	.	.	H	α-helix	trans	-58.5	-53.3	-176.4	174	0	0	0	0	111.2	N459 V464 M465 N466	N459-V462 WeakPolarHBondContact O-CG2 3.21Å; N459-V462 PolarHBondContact O-N 3.5Å; N459-V462 VanDerWaalsContact O-N 3.09Å; V462-V464 PolarHBondContact O-N 3.44Å; V462-M465 PolarHBondContact O-N 3.46Å; V462-N466 PolarHBondContact O-N 3.48Å; V462-N466 VanDerWaalsContact O-N 3.12Å
463	N	98.2	Very high	98.2	Very high	131 Å²	131	59.3 Å²	59.3	70%	0.701	32%	0.318	S	S	*	.	H	α-helix	trans	-65.2	-40.4	-177.2	-70	-5.7	0	0	0	113	Y461 M467	Y461-N463 PolarHBondContact O-N 2.91Å; N463-M467 WeakPolarHBondContact O-CB 3.4Å; N463-M467 PolarHBondContact O-N 3.48Å
464	V	98.6	Very high	98.2	Very high	74 Å²	74	59.7 Å²	59.7	45%	0.448	33%	0.325	S	S	.	.	H	α-helix	trans	-74.4	-32.5	-176.3	67.6	0	0	0	0	112.2	Y461 V462 M467 L468	Y461-V464 HydrophobicContact CD1-CG1 3.95Å; Y461-V464 WeakPolarHBondContact O-CG1 3.14Å; Y461-V464 PolarHBondContact O-N 2.99Å; V462-V464 PolarHBondContact O-N 3.44Å; V464-M467 PolarHBondContact O-N 3.26Å; V464-L468 WeakPolarHBondContact O-CB 3.28Å; V464-L468 PolarHBondContact O-N 3.49Å
465	M	98.7	Very high	98.3	Very high	6 Å²	6	58.7 Å²	58.7	3%	0.03	32%	0.318	C	S	.	.	H	α-helix	trans	-73.2	-37.7	175.3	-66.5	-62.8	-63.8	0	0	111.5	I445 L453 L457 Y461 V462 M467 L468 L469	I445-M465 HydrophobicContact CD1-CB 4.14Å; I445-M465 HydrophobicContact CG2-CE 3.91Å; L453-M465 HydrophobicContact CD1-CB 4.33Å; L453-M465 HydrophobicContact CD1-CG 4.15Å; L453-M465 HydrophobicContact CD2-CB 3.72Å; L453-M465 HydrophobicContact CD2-CG 4.14Å; L457-M465 HydrophobicContact CD1-CG 4.39Å; L457-M465 HydrophobicContact CD1-SD 4.5Å; Y461-M465 WeakPolarHBondContact O-CB 3.2Å; Y461-M465 VanDerWaalsContact O-CG 3.22Å; Y461-M465 WeakPolarHBondContact O-CG 3.43Å; Y461-M465 PolarHBondContact O-N 3.12Å; V462-M465 PolarHBondContact O-N 3.46Å; M465-M467 VanDerWaalsContact C-N 3.35Å; M465-L468 HydrophobicContact CE-CD2 4.39Å; M465-L468 PolarHBondContact O-N 3.3Å; M465-L468 HydrophobicContact SD-CD2 4.4Å; M465-L469 WeakPolarHBondContact O-CB 3.39Å; M465-L469 PolarHBondContact O-N 2.87Å
466	N	98.7	Very high	98.3	Very high	29 Å²	29	56.5 Å²	56.5	16%	0.155	30%	0.303	C	S	.	.	H	α-helix	trans	-63.5	-41	170	-73.8	-16.2	0	0	0	111.1	I445 V462 L468 L469 F470 E482	I445-N466 WeakPolarHBondContact CD1-OD1 3.14Å; V462-N466 PolarHBondContact O-N 3.48Å; V462-N466 VanDerWaalsContact O-N 3.12Å; N466-L468 PolarHBondContact O-N 3.44Å; N466-L469 WeakPolarHBondContact O-CB 3.42Å; N466-L469 PolarHBondContact O-N 3.28Å; N466-F470 WeakPolarHBondContact O-CD2 3.11Å; N466-F470 PolarHBondContact O-N 2.82Å; N466-F470 VanDerWaalsContact O-N 3.15Å; N466-E482 PolarHBondContact ND2-O 3.26Å
467	M	98.8	Very high	98.4	Very high	127 Å²	127	55.4 Å²	55.4	63%	0.626	30%	0.299	S	S	*	.	H	α-helix	trans	-60.2	-45.2	173.3	-178.6	-177	-67.2	0	0	112	N463 V464 M465 F470 T471	N463-M467 WeakPolarHBondContact O-CB 3.4Å; N463-M467 PolarHBondContact O-N 3.48Å; V464-M467 PolarHBondContact O-N 3.26Å; M465-M467 VanDerWaalsContact C-N 3.35Å; M467-F470 PolarHBondContact O-N 3.24Å; M467-T471 HydrophobicContact CG-CG2 4.43Å; M467-T471 WeakPolarHBondContact O-CB 3.37Å; M467-T471 VanDerWaalsContact O-CG2 3.3Å; M467-T471 WeakPolarHBondContact O-CG2 3.31Å; M467-T471 PolarHBondContact O-N 3.43Å; M467-T471 VanDerWaalsContact O-N 3.14Å; M467-T471 PolarHBondContact O-OG1 3.3Å
468	L	98.8	Very high	98.5	Very high	34 Å²	34	54.7 Å²	54.7	18%	0.178	30%	0.296	C	S	.	.	H	α-helix	trans	-58.8	-48	176.1	178.3	64.6	0	0	0	111	V424 I428 V464 M465 N466 F470 T471 L472	V424-L468 HydrophobicContact CG1-CD2 3.88Å; I428-L468 HydrophobicContact CD1-CD1 4.1Å; V464-L468 WeakPolarHBondContact O-CB 3.28Å; V464-L468 PolarHBondContact O-N 3.49Å; M465-L468 HydrophobicContact CE-CD2 4.39Å; M465-L468 PolarHBondContact O-N 3.3Å; M465-L468 HydrophobicContact SD-CD2 4.4Å; N466-L468 PolarHBondContact O-N 3.44Å; L468-F470 VanDerWaalsContact C-N 3.29Å; L468-F470 PolarHBondContact O-N 3.48Å; L468-T471 PolarHBondContact O-N 3.03Å; L468-T471 VanDerWaalsContact O-N 3.15Å; L468-T471 PolarHBondContact O-OG1 3.21Å; L468-L472 HydrophobicContact CD1-CD1 3.83Å; L468-L472 HydrophobicContact CD1-CD2 4.19Å; L468-L472 HydrophobicContact CD1-CG 3.82Å; L468-L472 HydrophobicContact CG-CD1 3.83Å; L468-L472 HydrophobicContact CG-CG 4.25Å; L468-L472 WeakPolarHBondContact O-CG 3.34Å; L468-L472 PolarHBondContact O-N 3.43Å
469	L	98.7	Very high	98.5	Very high	1 Å²	1	53.8 Å²	53.8	1%	0.005	29%	0.285	C	S	.	.	H	α-helix	trans	-55.3	-43.2	-179.3	-175.1	62.5	0	0	0	112.3	W443 I445 M465 N466 P476	W443-L469 HydrophobicContact CB-CD1 3.63Å; W443-L469 VanDerWaalsContact O-CD1 3.29Å; W443-L469 WeakPolarHBondContact O-CD1 3.38Å; I445-L469 HydrophobicContact CD1-CD2 4.1Å; I445-L469 HydrophobicContact CG1-CD2 4.32Å; M465-L469 WeakPolarHBondContact O-CB 3.39Å; M465-L469 PolarHBondContact O-N 2.87Å; N466-L469 WeakPolarHBondContact O-CB 3.42Å; N466-L469 PolarHBondContact O-N 3.28Å; L469-P476 HydrophobicContact CD1-CB 3.97Å; L469-P476 HydrophobicContact CD2-CB 4.32Å; L469-P476 HydrophobicContact CG-CB 3.68Å
470	F	98.7	Very high	98.6	Very high	111 Å²	111	47.9 Å²	47.9	49%	0.487	25%	0.254	S	S	.	.	H	α-helix	trans	-88.7	-0.9	-178.5	-78.2	-78.2	0	0	0	115.2	P122 N466 M467 L468 P476	P122-F470 HydrophobicContact CB-CE1 3.92Å; P122-F470 HydrophobicContact CB-CZ 4.13Å; P122-F470 HydrophobicContact CG-CE1 3.89Å; P122-F470 HydrophobicContact CG-CZ 4.31Å; N466-F470 WeakPolarHBondContact O-CD2 3.11Å; N466-F470 PolarHBondContact O-N 2.82Å; N466-F470 VanDerWaalsContact O-N 3.15Å; M467-F470 PolarHBondContact O-N 3.24Å; L468-F470 VanDerWaalsContact C-N 3.29Å; L468-F470 PolarHBondContact O-N 3.48Å; F470-P476 HydrophobicContact CD1-CB 4.29Å; F470-P476 HydrophobicContact CD1-CG 3.9Å; F470-P476 HydrophobicContact CE1-CB 4.2Å; F470-P476 HydrophobicContact CE1-CG 3.79Å
471	T	98.8	Very high	98.7	Very high	104 Å²	104	40.7 Å²	40.7	64%	0.638	22%	0.22	S	C	*	.	H	α-helix	trans	-113.9	-14.6	177.9	52.6	0	0	0	0	113.6	M467 L468	M467-T471 HydrophobicContact CG-CG2 4.43Å; M467-T471 WeakPolarHBondContact O-CB 3.37Å; M467-T471 VanDerWaalsContact O-CG2 3.3Å; M467-T471 WeakPolarHBondContact O-CG2 3.31Å; M467-T471 PolarHBondContact O-N 3.43Å; M467-T471 VanDerWaalsContact O-N 3.14Å; M467-T471 PolarHBondContact O-OG1 3.3Å; L468-T471 PolarHBondContact O-N 3.03Å; L468-T471 VanDerWaalsContact O-N 3.15Å; L468-T471 PolarHBondContact O-OG1 3.21Å
472	L	98.8	Very high	98.7	Very high	28 Å²	28	37.5 Å²	37.5	15%	0.147	21%	0.208	C	C	.	.	S	Bend	trans	-69.5	149.1	168.1	-74	171.9	0	0	0	111	I428 W443 L468	I428-L472 HydrophobicContact CD1-CD1 4.33Å; I428-L472 HydrophobicContact CD1-CD2 4Å; I428-L472 HydrophobicContact CG1-CD1 4.24Å; I428-L472 HydrophobicContact CG1-CD2 4.19Å; I428-L472 HydrophobicContact CG2-CD2 3.96Å; W443-L472 HydrophobicContact CD2-CB 4.38Å; W443-L472 HydrophobicContact CD2-CD1 3.6Å; W443-L472 HydrophobicContact CE3-CD1 3.86Å; W443-L472 HydrophobicContact CG-CB 4.33Å; W443-L472 HydrophobicContact CG-CD1 3.97Å; W443-L472 HydrophobicContact CH2-CD1 4.43Å; W443-L472 HydrophobicContact CZ2-CB 4.46Å; W443-L472 HydrophobicContact CZ2-CD1 4.19Å; W443-L472 HydrophobicContact CZ2-CD2 4.41Å; W443-L472 HydrophobicContact CZ3-CD1 4.26Å; L468-L472 HydrophobicContact CD1-CD1 3.83Å; L468-L472 HydrophobicContact CD1-CD2 4.19Å; L468-L472 HydrophobicContact CD1-CG 3.82Å; L468-L472 HydrophobicContact CG-CD1 3.83Å; L468-L472 HydrophobicContact CG-CG 4.25Å; L468-L472 WeakPolarHBondContact O-CG 3.34Å; L468-L472 PolarHBondContact O-N 3.43Å
473	P	98.6	Very high	98.7	Very high	73 Å²	73	39.1 Å²	39.1	47%	0.474	21%	0.214	S	C	.	.	S	Bend	trans	-66.6	151	173.5	30.3	-35.3	0	0	0	110.1	M432 P441 W443	M432-P473 HydrophobicContact CE-CG 4.05Å; M432-P473 HydrophobicContact SD-CG 4.35Å; P441-P473 HydrophobicContact CG-CB 4.48Å; P441-P473 HydrophobicContact CG-CG 4.43Å; P441-P473 WeakPolarHBondContact CG-O 3.43Å; W443-P473 PolarHBondContact NE1-O 2.04Å
474	G	98.6	Very high	98.6	Very high	17 Å²	17	33.7 Å²	33.7	18%	0.175	19%	0.185	C	C	.	.	S	Bend	trans	104.7	-159.7	175.5	0	0	0	0	0	113.9	P441 P476	P441-G474 CarbonylContact O-C 3.55Å; P441-G474 WeakPolarHBondContact O-CA 3.49Å; G474-P476 WeakPolarHBondContact O-CD 3.36Å
475	T	98.9	Very high	98.6	Very high	1 Å²	1	30.8 Å²	30.8	1%	0.006	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	114.3	-177.3	-58.5	0	0	0	0	111.3	W118 M123 W440 P441 N442 W443 I477	W118-T475 PolarHBondContact O-OG1 3.48Å; M123-T475 HydrophobicContact CE-CG2 4.25Å; M123-T475 HydrophobicContact CG-CG2 3.84Å; M123-T475 HydrophobicContact SD-CG2 4.4Å; W440-T475 PolarHBondContact NE1-OG1 3.11Å; P441-T475 PolarHBondContact O-N 3.38Å; N442-T475 VanDerWaalsContact CA-O 3.28Å; N442-T475 WeakPolarHBondContact CA-O 3.26Å; N442-T475 WeakPolarHBondContact CB-O 3.33Å; W443-T475 PolarHBondContact N-O 3.49Å; W443-T475 VanDerWaalsContact N-O 3.17Å; T475-I477 HydrophobicContact CG2-CG1 4.5Å
476	P	98.9	Very high	98.6	Very high	14 Å²	14	30.7 Å²	30.7	9%	0.091	17%	0.17	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-72.3	136.5	170.1	25.7	-29.8	0	0	0	111.2	P122 M123 L469 F470 G474	P122-P476 VanDerWaalsContact CA-O 3.29Å; P122-P476 WeakPolarHBondContact CA-O 3.32Å; P122-P476 HydrophobicContact CB-CG 3.93Å; M123-P476 PolarHBondContact N-O 3.07Å; L469-P476 HydrophobicContact CD1-CB 3.97Å; L469-P476 HydrophobicContact CD2-CB 4.32Å; L469-P476 HydrophobicContact CG-CB 3.68Å; F470-P476 HydrophobicContact CD1-CB 4.29Å; F470-P476 HydrophobicContact CD1-CG 3.9Å; F470-P476 HydrophobicContact CE1-CB 4.2Å; F470-P476 HydrophobicContact CE1-CG 3.79Å; G474-P476 WeakPolarHBondContact O-CD 3.36Å
477	I	98.9	Very high	98.5	Very high	3 Å²	3	29.6 Å²	29.6	2%	0.015	17%	0.165	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-124.6	122.2	178.4	-55.6	173.8	0	0	0	108.1	M123 W161 F407 F409 N442 W443 M444 T475	M123-I477 HydrophobicContact CB-CB 4.46Å; M123-I477 HydrophobicContact CB-CG1 4.09Å; M123-I477 HydrophobicContact CB-CG2 4.29Å; M123-I477 HydrophobicContact CG-CG1 4.26Å; M123-I477 WeakPolarHBondContact O-CA 3.48Å; M123-I477 HydrophobicContact SD-CD1 4.3Å; M123-I477 HydrophobicContact SD-CG1 4.24Å; W161-I477 HydrophobicContact CE3-CG2 4.25Å; W161-I477 HydrophobicContact CZ3-CG2 4.27Å; F407-I477 HydrophobicContact CE2-CD1 4.2Å; F407-I477 HydrophobicContact CZ-CD1 4.41Å; F409-I477 HydrophobicContact CD1-CD1 3.64Å; F409-I477 HydrophobicContact CE1-CD1 3.74Å; N442-I477 HydrophobicContact CB-CD1 4.23Å; N442-I477 WeakPolarHBondContact ND2-CD1 3.34Å; W443-I477 PolarHBondContact O-N 3.38Å; M444-I477 HydrophobicContact CG-CB 3.67Å; M444-I477 HydrophobicContact CG-CD1 3.93Å; M444-I477 HydrophobicContact CG-CG1 4.33Å; M444-I477 HydrophobicContact CG-CG2 3.83Å; M444-I477 HydrophobicContact SD-CD1 4.2Å; M444-I477 HydrophobicContact SD-CG2 4.13Å; T475-I477 HydrophobicContact CG2-CG1 4.5Å
478	T	98.9	Very high	98.5	Very high	7 Å²	7	25 Å²	25	4%	0.043	14%	0.143	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-114.6	130.1	-174.5	-58.9	0	0	0	0	110.2	M123 Y124 Q125 E482	M123-T478 PolarHBondContact O-N 3.34Å; Y124-T478 CarbonylContact C-O 3.46Å; Y124-T478 WeakPolarHBondContact CA-O 3.45Å; Y124-T478 HydrophobicContact CD2-CG2 4.1Å; Y124-T478 HydrophobicContact CE2-CG2 4.05Å; Q125-T478 PolarHBondContact N-O 2.58Å; T478-E482 HydrophobicContact CG2-CB 3.92Å
479	Y	98.9	Very high	98.4	Very high	3 Å²	3	24.1 Å²	24.1	1%	0.012	14%	0.139	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.4	142.5	173.1	-179.1	-118.2	0	0	0	110.5	Q125 P448 G481 E482 S505	Q125-Y479 HydrophobicContact CB-CD2 4.27Å; Q125-Y479 HydrophobicContact CG-CD2 4.32Å; P448-Y479 HydrophobicContact CB-CE2 4.14Å; P448-Y479 HydrophobicContact CG-CE2 4.48Å; Y479-G481 PolarHBondContact O-N 2.87Å; Y479-E482 PolarHBondContact N-OE2 2.78Å; Y479-E482 VanDerWaalsContact O-CB 3.3Å; Y479-E482 WeakPolarHBondContact O-CB 3.48Å; Y479-E482 VanDerWaalsContact O-CG 3.27Å; Y479-E482 WeakPolarHBondContact O-CG 3.5Å; Y479-E482 PolarHBondContact O-N 2.88Å; Y479-E482 VanDerWaalsContact O-N 3.08Å; Y479-S505 WeakPolarHBondContact CE1-O 3.35Å; Y479-S505 PolarHBondContact OH-O 2.91Å
480	Y	98.8	Very high	98	Very high	0 Å²	0	30.7 Å²	30.7	0%	0	18%	0.178	C	C	.	.	T	Hydrogen-bonded Turn	trans	-55.7	135	-173.5	84.6	-79	0	0	0	113	Y124 Q125 S130 F131 R452 E482 M486 S507 M509	Y124-Y480 WeakPolarHBondContact OH-CA 3.29Å; Y124-Y480 WeakPolarHBondContact OH-CB 3.23Å; Q125-Y480 PolarHBondContact O-N 3.18Å; S130-Y480 WeakPolarHBondContact CB-OH 3.44Å; F131-Y480 HydrophobicContact CD2-CD2 4.33Å; F131-Y480 HydrophobicContact CD2-CG 4.42Å; R452-Y480 PolarHBondContact NH1-O 3.21Å; R452-Y480 PolarHBondContact NH2-O 3.21Å; R452-Y480 VanDerWaalsContact NH2-O 3.15Å; R452-Y480 PolarHBondContact NH2-OH 3.04Å; Y480-E482 VanDerWaalsContact C-N 3.34Å; Y480-M486 HydrophobicContact CE2-CE 4.37Å; Y480-S507 PolarHBondContact OH-O 2.88Å; Y480-M509 HydrophobicContact CD2-CB 3.98Å; Y480-M509 HydrophobicContact CD2-CG 4.35Å; Y480-M509 HydrophobicContact CD2-SD 3.9Å; Y480-M509 HydrophobicContact CE2-CB 4.03Å
481	G	98.4	Very high	97.1	Very high	0 Å²	0	27.4 Å²	27.4	0%	0	17%	0.171	C	C	.	.	T	Hydrogen-bonded Turn	trans	88.8	-7.6	-178.5	0	0	0	0	0	114.5	Y479 E483 I484 G485 M486	Y479-G481 PolarHBondContact O-N 2.87Å; G481-E483 VanDerWaalsContact C-N 3.3Å; G481-E483 WeakPolarHBondContact CA-OE1 3.4Å; G481-E483 PolarHBondContact N-OE1 3.29Å; G481-E483 PolarHBondContact N-OE2 2.61Å; G481-I484 WeakPolarHBondContact O-CG1 3.11Å; G481-I484 PolarHBondContact O-N 3.49Å; G481-G485 PolarHBondContact O-N 3.39Å; G481-M486 VanDerWaalsContact CA-SD 3.56Å; G481-M486 PolarHBondContact O-N 3.17Å
482	E	98.7	Very high	96.2	Very high	11 Å²	11	23.8 Å²	23.8	5%	0.051	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-68	-32	173	-72.9	-175.3	149	0	0	112.1	G446 N466 T478 Y479 Y480 I484 G485	G446-E482 VanDerWaalsContact CA-OE1 3.23Å; G446-E482 WeakPolarHBondContact CA-OE1 3.45Å; G446-E482 PolarHBondContact N-OE1 2.98Å; N466-E482 PolarHBondContact ND2-O 3.26Å; T478-E482 HydrophobicContact CG2-CB 3.92Å; Y479-E482 PolarHBondContact N-OE2 2.78Å; Y479-E482 VanDerWaalsContact O-CB 3.3Å; Y479-E482 WeakPolarHBondContact O-CB 3.48Å; Y479-E482 VanDerWaalsContact O-CG 3.27Å; Y479-E482 WeakPolarHBondContact O-CG 3.5Å; Y479-E482 PolarHBondContact O-N 2.88Å; Y479-E482 VanDerWaalsContact O-N 3.08Å; Y480-E482 VanDerWaalsContact C-N 3.34Å; E482-I484 VanDerWaalsContact C-N 3.25Å; E482-I484 PolarHBondContact O-N 3.22Å; E482-G485 PolarHBondContact O-N 2.79Å
483	E	98.1	Very high	95.3	Very high	47 Å²	47	30 Å²	30	22%	0.22	19%	0.186	C	C	.	.	T	Hydrogen-bonded Turn	trans	-67.8	-25.2	177.3	74.7	-61.5	142.7	0	0	113.1	Y124 Y151 L155 G481 M509	Y124-E483 WeakPolarHBondContact CE2-OE2 3.48Å; Y124-E483 PolarHBondContact OH-OE1 3.41Å; Y124-E483 PolarHBondContact OH-OE2 3.29Å; Y151-E483 VanDerWaalsContact OH-CD 3.27Å; Y151-E483 VanDerWaalsContact OH-CG 3.25Å; Y151-E483 WeakPolarHBondContact OH-CG 3.3Å; Y151-E483 PolarHBondContact OH-OE1 3.46Å; L155-E483 HydrophobicContact CD1-CG 4.11Å; L155-E483 HydrophobicContact CD2-CG 4.17Å; G481-E483 VanDerWaalsContact C-N 3.3Å; G481-E483 WeakPolarHBondContact CA-OE1 3.4Å; G481-E483 PolarHBondContact N-OE1 3.29Å; G481-E483 PolarHBondContact N-OE2 2.61Å; E483-M509 WeakPolarHBondContact OE1-CE 3.42Å
484	I	97.3	Very high	94.8	Very high	18 Å²	18	28.8 Å²	28.8	9%	0.092	18%	0.175	C	C	.	.	T	Hydrogen-bonded Turn	trans	-103.3	-4.6	174.4	60.5	165.5	0	0	0	113.7	G481 E482 M486 M509 Q510 V536 V538 I541	G481-I484 WeakPolarHBondContact O-CG1 3.11Å; G481-I484 PolarHBondContact O-N 3.49Å; E482-I484 VanDerWaalsContact C-N 3.25Å; E482-I484 PolarHBondContact O-N 3.22Å; I484-M486 HydrophobicContact CD1-CG 3.6Å; I484-M486 HydrophobicContact CD1-SD 3.86Å; I484-M486 HydrophobicContact CG1-CG 3.83Å; I484-M486 HydrophobicContact CG1-SD 4.35Å; I484-M509 HydrophobicContact CD1-CE 3.7Å; I484-M509 HydrophobicContact CD1-SD 4.01Å; I484-M509 HydrophobicContact CG1-CE 4.22Å; I484-Q510 HydrophobicContact CD1-CB 4.11Å; I484-V536 WeakPolarHBondContact O-CG1 3.33Å; I484-V538 HydrophobicContact CD1-CG2 4.49Å; I484-V538 HydrophobicContact CG2-CG2 3.97Å; I484-I541 HydrophobicContact CB-CD1 3.47Å; I484-I541 VanDerWaalsContact CB-CD1 3.47Å; I484-I541 HydrophobicContact CG2-CD1 3.59Å
485	G	97.6	Very high	94.2	Very high	13 Å²	13	36.6 Å²	36.6	13%	0.134	21%	0.213	C	C	.	.	T	Hydrogen-bonded Turn	trans	73.7	35.2	179	0	0	0	0	0	114.8	T454 G481 E482	T454-G485 WeakPolarHBondContact CG2-O 3.37Å; G481-G485 PolarHBondContact O-N 3.39Å; E482-G485 PolarHBondContact O-N 2.79Å
486	M	98.5	Very high	93.6	Very high	4 Å²	4	41.1 Å²	41.1	2%	0.02	23%	0.234	C	C	.	.	P	Polyproline II helix	trans	-55.2	137.8	175.4	-81.3	174	69.9	0	0	112.3	R452 T454 Y480 G481 I484 P508 M509 Q510	R452-M486 WeakPolarHBondContact CD-O 3.4Å; T454-M486 VanDerWaalsContact CG2-O 3.22Å; T454-M486 WeakPolarHBondContact CG2-O 3.49Å; Y480-M486 HydrophobicContact CE2-CE 4.37Å; G481-M486 VanDerWaalsContact CA-SD 3.56Å; G481-M486 PolarHBondContact O-N 3.17Å; I484-M486 HydrophobicContact CD1-CG 3.6Å; I484-M486 HydrophobicContact CD1-SD 3.86Å; I484-M486 HydrophobicContact CG1-CG 3.83Å; I484-M486 HydrophobicContact CG1-SD 4.35Å; M486-P508 WeakPolarHBondContact CE-O 3.49Å; M486-M509 HydrophobicContact SD-SD 3.56Å; M486-Q510 HydrophobicContact CE-CG 4.37Å
487	G	98	Very high	93	Very high	5 Å²	5	44.1 Å²	44.1	5%	0.052	26%	0.255	C	S	.	.	P	Polyproline II helix	trans	-94.5	165	173.2	0	0	0	0	0	113.9	R452 N530	R452-G487 WeakPolarHBondContact CD-O 3.42Å; G487-N530 PolarHBondContact O-ND2 3.17Å
488	N	97.9	Very high	92.6	Very high	30 Å²	30	44.8 Å²	44.8	16%	0.16	26%	0.257	C	S	.	.	P	Polyproline II helix	trans	-62.5	153.8	170.3	-74.3	-19.5	0	0	0	111.6	S451 R452 S455 R504 S505 N530	S451-N488 PolarHBondContact OG-ND2 3.35Å; R452-N488 WeakPolarHBondContact CB-OD1 3.27Å; R452-N488 PolarHBondContact N-OD1 2.69Å; S455-N488 WeakPolarHBondContact CB-ND2 3.21Å; S455-N488 PolarHBondContact OG-N 2.72Å; N488-R504 VanDerWaalsContact CA-O 3.23Å; N488-R504 WeakPolarHBondContact CA-O 3.48Å; N488-R504 HydrophobicContact CB-CB 4.1Å; N488-R504 PolarHBondContact OD1-O 3.36Å; N488-S505 PolarHBondContact OD1-OG 2.91Å; N488-N530 PolarHBondContact O-ND2 3.48Å
489	I	95.8	Very high	92	Very high	17 Å²	17	45.8 Å²	45.8	9%	0.087	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-97.9	161.8	164.3	61.7	168	0	0	0	111.1	R504 L527 N530	I489-R504 PolarHBondContact N-O 3.48Å; I489-R504 WeakPolarHBondContact O-CB 3.3Å; I489-L527 HydrophobicContact CD1-CB 4.42Å; I489-L527 HydrophobicContact CD1-CD1 4.39Å; I489-L527 HydrophobicContact CD1-CD2 4.22Å; I489-N530 HydrophobicContact CG2-CB 3.9Å
490	V	91	Very high	91.4	Very high	139 Å²	139	50.6 Å²	50.6	84%	0.842	29%	0.288	S	S	*	.	P	Polyproline II helix	trans	-72	127.8	164	-179.5	0	0	0	0	107.6	A492	V490-A492 PolarHBondContact O-N 3.49Å; V490-A492 VanDerWaalsContact O-N 3.16Å
491	A	80.5	Confident	90.8	Very high	41 Å²	41	55.7 Å²	55.7	34%	0.339	32%	0.315	S	S	.	.	P	Polyproline II helix	trans	-57.8	121	-179.3	0	0	0	0	0	110.3	I500	A491-I500 WeakPolarHBondContact CB-O 3.19Å
492	A	79.2	Confident	90.5	Very high	29 Å²	29	56.5 Å²	56.5	24%	0.24	32%	0.32	C	S	.	.	P	Polyproline II helix	trans	-85.1	151.2	173.3	0	0	0	0	0	109.9	V490 L494 P528	V490-A492 PolarHBondContact O-N 3.49Å; V490-A492 VanDerWaalsContact O-N 3.16Å; A492-L494 PolarHBondContact O-N 3Å; A492-P528 HydrophobicContact CB-CG 3.95Å
493	N	80.8	Confident	90.2	Very high	158 Å²	158	56 Å²	56	85%	0.845	32%	0.318	S	S	*	.	P	Polyproline II helix	trans	-69.5	118.6	169.9	-69.5	-22.5	0	0	0	108.7
494	L	86.9	Confident	90.1	Very high	48 Å²	48	58.6 Å²	58.6	25%	0.251	33%	0.325	S	S	.	.	P	Polyproline II helix	trans	-98.9	146.1	171	-63.8	-177.9	0	0	0	109.7	A492 E496 Y498 L503 W526 L527	A492-L494 PolarHBondContact O-N 3Å; L494-E496 PolarHBondContact O-N 3.21Å; L494-Y498 HydrophobicContact CD1-CD2 3.88Å; L494-Y498 HydrophobicContact CD1-CG 4Å; L494-L503 HydrophobicContact CD1-CD1 3.77Å; L494-L503 HydrophobicContact CD1-CD2 3.87Å; L494-L503 HydrophobicContact CG-CD1 4.19Å; L494-W526 HydrophobicContact CD1-CE3 4.35Å; L494-W526 HydrophobicContact CD1-CZ3 4.15Å; L494-W526 VanDerWaalsContact CD2-O 3.3Å; L494-W526 WeakPolarHBondContact CD2-O 3.3Å; L494-L527 HydrophobicContact CD1-CD2 4.07Å; L494-L527 HydrophobicContact CD2-CD2 4.1Å; L494-L527 HydrophobicContact CG-CD2 4.34Å
495	N	86.5	Confident	90	Very high	180 Å²	180	57.7 Å²	57.7	96%	0.963	32%	0.321	S	S	*	.	S	Bend	trans	-81.3	0.4	169.6	-67.8	-21.1	0	0	0	112.1
496	E	86.4	Confident	90	Very high	96 Å²	96	57.2 Å²	57.2	45%	0.449	32%	0.315	S	S	.	.	S	Bend	trans	-104	149.8	173.5	-65.2	178.1	-137.4	0	0	109.7	R129 L494 Y498	R129-E496 IonicContact CZ-OE1 3.7Å; R129-E496 IonicContact CZ-OE2 3.15Å; R129-E496 IonicContact NH1-OE1 3.41Å; R129-E496 IonicContact NH1-OE2 3.4Å; R129-E496 PolarHBondContact NH1-OE2 3.21Å; R129-E496 IonicContact NH2-OE1 2.78Å; R129-E496 PolarHBondContact NH2-OE1 3.19Å; R129-E496 IonicContact NH2-OE2 2.84Å; R129-E496 PolarHBondContact NH2-OE2 3.19Å; L494-E496 PolarHBondContact O-N 3.21Å; E496-Y498 HydrophobicContact CB-CD2 3.91Å; E496-Y498 HydrophobicContact CB-CE2 4.08Å; E496-Y498 PolarHBondContact O-N 3.32Å
497	S	86.6	Confident	90	Very high	78 Å²	78	57 Å²	57	55%	0.545	31%	0.314	S	S	.	.			trans	-75.5	107	179.1	-171.5	0	0	0	0	110.4
498	Y	89.1	Confident	90	Very high	16 Å²	16	56.8 Å²	56.8	6%	0.063	31%	0.312	C	S	.	.			trans	-135.8	151.8	178.8	-91.4	-92.8	0	0	0	110	Y127 R129 K171 D172 L494 E496 I500 L503 W526	Y127-Y498 WeakPolarHBondContact OH-CE1 3.43Å; Y127-Y498 PolarHBondContact OH-OH 3.04Å; R129-Y498 PolarHBondContact NH1-OH 2.69Å; K171-Y498 HydrophobicContact CB-CE2 4.32Å; K171-Y498 VanDerWaalsContact CB-OH 3.26Å; K171-Y498 WeakPolarHBondContact CB-OH 3.49Å; D172-Y498 HydrophobicContact CB-CD1 3.65Å; D172-Y498 HydrophobicContact CB-CE1 3.9Å; D172-Y498 HydrophobicContact CB-CG 4.18Å; D172-Y498 WeakPolarHBondContact OD2-CD1 3.19Å; L494-Y498 HydrophobicContact CD1-CD2 3.88Å; L494-Y498 HydrophobicContact CD1-CG 4Å; E496-Y498 HydrophobicContact CB-CD2 3.91Å; E496-Y498 HydrophobicContact CB-CE2 4.08Å; E496-Y498 PolarHBondContact O-N 3.32Å; Y498-I500 PolarHBondContact O-N 3.03Å; Y498-L503 HydrophobicContact CD1-CD2 3.43Å; Y498-L503 VanDerWaalsContact CD1-CD2 3.43Å; Y498-L503 HydrophobicContact CD1-CG 4.37Å; Y498-L503 HydrophobicContact CE1-CD2 4.3Å; Y498-L503 HydrophobicContact CG-CD2 3.77Å; Y498-L503 HydrophobicContact CG-CG 4.47Å; Y498-W526 HydrophobicContact CD1-CZ3 4.35Å; Y498-W526 HydrophobicContact CE1-CH2 4.11Å; Y498-W526 AromaticContact CE1-CZ3 3.83Å; Y498-W526 HydrophobicContact CE1-CZ3 3.83Å; Y498-W526 HydrophobicContact CE2-CZ3 4.15Å; Y498-W526 AromaticContact CZ-CZ3 3.71Å
499	D	87.2	Confident	90	Very high	29 Å²	29	55.4 Å²	55.4	16%	0.155	30%	0.304	C	S	.	.			trans	-77.3	106.1	173.2	-178	8.3	0	0	0	110	D172 F173 N501 T502 L503	D172-D499 PolarHBondContact OD2-N 2.99Å; F173-D499 HydrophobicContact CD1-CB 4.16Å; F173-D499 HydrophobicContact CE1-CB 3.55Å; F173-D499 HydrophobicContact CZ-CB 3.79Å; D499-N501 PolarHBondContact O-N 3.04Å; D499-N501 WeakPolarHBondContact OD1-CB 3.12Å; D499-N501 PolarHBondContact OD1-N 3.05Å; D499-N501 PolarHBondContact OD1-ND2 2.99Å; D499-T502 PolarHBondContact O-N 2.99Å; D499-T502 PolarHBondContact O-OG1 3.45Å; D499-L503 WeakPolarHBondContact O-CG 3.27Å; D499-L503 PolarHBondContact O-N 3.12Å
500	I	86	Confident	90.2	Very high	104 Å²	104	54.6 Å²	54.6	53%	0.533	30%	0.3	S	S	.	.	T	Hydrogen-bonded Turn	trans	-56.2	-24.2	178.9	62.2	168.6	0	0	0	113.2	A491 Y498 L503	A491-I500 WeakPolarHBondContact CB-O 3.19Å; Y498-I500 PolarHBondContact O-N 3.03Å; I500-L503 HydrophobicContact CG2-CD1 4.46Å
501	N	87.3	Confident	90.5	Very high	107 Å²	107	48.3 Å²	48.3	57%	0.572	26%	0.261	S	S	*	.	T	Hydrogen-bonded Turn	trans	-75.3	-27.2	-179.3	-58.4	-61.4	0	0	0	112.7	D499 R504	D499-N501 PolarHBondContact O-N 3.04Å; D499-N501 WeakPolarHBondContact OD1-CB 3.12Å; D499-N501 PolarHBondContact OD1-N 3.05Å; D499-N501 PolarHBondContact OD1-ND2 2.99Å; N501-R504 WeakPolarHBondContact O-CD 3.23Å; N501-R504 PolarHBondContact O-NE 2.82Å
502	T	91.1	Very high	91.4	Very high	17 Å²	17	48.2 Å²	48.2	10%	0.104	26%	0.255	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.3	-18.3	-178.4	63.6	0	0	0	0	113	D499 R504 S505 K506	D499-T502 PolarHBondContact O-N 2.99Å; D499-T502 PolarHBondContact O-OG1 3.45Å; T502-R504 PolarHBondContact O-N 3.18Å; T502-S505 PolarHBondContact O-N 3.12Å; T502-S505 VanDerWaalsContact O-N 3.12Å; T502-K506 PolarHBondContact OG1-NZ 3.35Å
503	L	92.8	Very high	92.2	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.005	26%	0.264	C	S	.	.	G	3₁₀ helix	trans	-48.5	-33.3	175	-85.1	-177	0	0	0	114	L494 Y498 D499 I500 S505 K506 W526 L527	L494-L503 HydrophobicContact CD1-CD1 3.77Å; L494-L503 HydrophobicContact CD1-CD2 3.87Å; L494-L503 HydrophobicContact CG-CD1 4.19Å; Y498-L503 HydrophobicContact CD1-CD2 3.43Å; Y498-L503 VanDerWaalsContact CD1-CD2 3.43Å; Y498-L503 HydrophobicContact CD1-CG 4.37Å; Y498-L503 HydrophobicContact CE1-CD2 4.3Å; Y498-L503 HydrophobicContact CG-CD2 3.77Å; Y498-L503 HydrophobicContact CG-CG 4.47Å; D499-L503 WeakPolarHBondContact O-CG 3.27Å; D499-L503 PolarHBondContact O-N 3.12Å; I500-L503 HydrophobicContact CG2-CD1 4.46Å; L503-S505 PolarHBondContact O-N 3.14Å; L503-K506 HydrophobicContact CD2-CD 4.5Å; L503-K506 PolarHBondContact O-N 3.37Å; L503-W526 HydrophobicContact CD2-CH2 4.46Å; L503-W526 HydrophobicContact CD2-CZ3 4.38Å; L503-L527 HydrophobicContact CD2-CD1 4.12Å; L503-L527 HydrophobicContact CD2-CD2 4.38Å
504	R	94.7	Very high	93	Very high	100 Å²	100	45.7 Å²	45.7	38%	0.377	24%	0.242	S	C	.	.	G	3₁₀ helix	trans	-52.5	-24.8	-179.7	65.6	-174.5	173.4	-178.8	-4.7	114.6	N488 I489 N501 T502	N488-R504 VanDerWaalsContact CA-O 3.23Å; N488-R504 WeakPolarHBondContact CA-O 3.48Å; N488-R504 HydrophobicContact CB-CB 4.1Å; N488-R504 PolarHBondContact OD1-O 3.36Å; I489-R504 PolarHBondContact N-O 3.48Å; I489-R504 WeakPolarHBondContact O-CB 3.3Å; N501-R504 WeakPolarHBondContact O-CD 3.23Å; N501-R504 PolarHBondContact O-NE 2.82Å; T502-R504 PolarHBondContact O-N 3.18Å
505	S	96.6	Very high	93.5	Very high	0 Å²	0	46.9 Å²	46.9	0%	0	25%	0.254	C	S	.	.	G	3₁₀ helix	trans	-106	2.3	-175.4	-55.3	0	0	0	0	113.6	S450 S451 R452 Y479 N488 T502 L503	S450-S505 VanDerWaalsContact O-CB 3.26Å; S450-S505 WeakPolarHBondContact O-CB 3.41Å; S450-S505 PolarHBondContact O-OG 3.38Å; S451-S505 WeakPolarHBondContact CA-OG 3.48Å; R452-S505 PolarHBondContact N-OG 2.86Å; R452-S505 PolarHBondContact NE-O 2.89Å; R452-S505 PolarHBondContact NH2-O 3.19Å; Y479-S505 WeakPolarHBondContact CE1-O 3.35Å; Y479-S505 PolarHBondContact OH-O 2.91Å; N488-S505 PolarHBondContact OD1-OG 2.91Å; T502-S505 PolarHBondContact O-N 3.12Å; T502-S505 VanDerWaalsContact O-N 3.12Å; L503-S505 PolarHBondContact O-N 3.14Å
506	K	97.4	Very high	94	Very high	3 Å²	3	39.9 Å²	39.9	1%	0.013	22%	0.216	C	C	.	.			trans	-104.5	15.1	-177.4	-62.8	166.7	179.9	153.5	0	112.8	Y127 S130 D172 P448 T502 L503 W526 L527	Y127-K506 HydrophobicContact CD1-CB 4.41Å; Y127-K506 HydrophobicContact CE1-CB 4.25Å; Y127-K506 HydrophobicContact CE1-CG 4.43Å; Y127-K506 HydrophobicContact CE2-CD 4.33Å; S130-K506 WeakPolarHBondContact CB-O 3.26Å; S130-K506 PolarHBondContact OG-O 3.31Å; D172-K506 VanDerWaalsContact CG-NZ 3.33Å; D172-K506 IonicContact OD1-NZ 3.81Å; D172-K506 PolarHBondContact OD1-NZ 3.05Å; D172-K506 VanDerWaalsContact OD1-NZ 3.15Å; D172-K506 IonicContact OD2-NZ 2.59Å; D172-K506 PolarHBondContact OD2-NZ 2.9Å; P448-K506 WeakPolarHBondContact O-CE 3.22Å; T502-K506 PolarHBondContact OG1-NZ 3.35Å; L503-K506 HydrophobicContact CD2-CD 4.5Å; L503-K506 PolarHBondContact O-N 3.37Å; K506-W526 HydrophobicContact CB-CH2 4.21Å; K506-W526 HydrophobicContact CB-CZ2 4.32Å; K506-W526 WeakPolarHBondContact O-CZ2 3.44Å; K506-L527 HydrophobicContact CB-CD1 4.07Å; K506-L527 WeakPolarHBondContact O-CD1 3.37Å
507	S	97.8	Very high	94.6	Very high	0 Å²	0	35.3 Å²	35.3	0%	0	20%	0.195	C	C	.	.	P	Polyproline II helix	trans	-62.3	150.6	-179.8	64.1	0	0	0	0	113	Y480	Y480-S507 PolarHBondContact OH-O 2.88Å
508	P	98.4	Very high	95.1	Very high	0 Å²	0	32.1 Å²	32.1	0%	0	17%	0.174	C	C	.	.	P	Polyproline II helix	trans	-52.9	142.9	177.3	-26.9	35.6	0	0	0	113.9	S130 M486 F519 L527	S130-P508 CarbonylContact O-C 3.47Å; S130-P508 WeakPolarHBondContact O-CA 3.49Å; M486-P508 WeakPolarHBondContact CE-O 3.49Å; P508-F519 HydrophobicContact CB-CB 4.01Å; P508-F519 HydrophobicContact CB-CD1 3.71Å; P508-F519 HydrophobicContact CB-CD2 3.9Å; P508-F519 HydrophobicContact CB-CE1 4.1Å; P508-F519 HydrophobicContact CB-CE2 4.29Å; P508-F519 HydrophobicContact CB-CG 3.59Å; P508-F519 HydrophobicContact CB-CZ 4.37Å; P508-F519 HydrophobicContact CG-CD1 4.13Å; P508-F519 HydrophobicContact CG-CE1 4.16Å; P508-F519 HydrophobicContact CG-CG 4.48Å; P508-L527 WeakPolarHBondContact CD-O 3.37Å; P508-L527 WeakPolarHBondContact CG-O 3.35Å
509	M	98.8	Very high	95.6	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.171	C	C	.	.	P	Polyproline II helix	trans	-60.7	141.4	175.3	-178.2	55.2	179.3	0	0	111.3	S130 F131 Y480 E483 I484 M486 W511 V538	S130-M509 PolarHBondContact O-N 3.2Å; F131-M509 WeakPolarHBondContact O-CB 3.33Å; Y480-M509 HydrophobicContact CD2-CB 3.98Å; Y480-M509 HydrophobicContact CD2-CG 4.35Å; Y480-M509 HydrophobicContact CD2-SD 3.9Å; Y480-M509 HydrophobicContact CE2-CB 4.03Å; E483-M509 WeakPolarHBondContact OE1-CE 3.42Å; I484-M509 HydrophobicContact CD1-CE 3.7Å; I484-M509 HydrophobicContact CD1-SD 4.01Å; I484-M509 HydrophobicContact CG1-CE 4.22Å; M486-M509 HydrophobicContact SD-SD 3.56Å; M509-W511 HydrophobicContact CB-CZ2 4.3Å; M509-W511 HydrophobicContact CG-CD2 4.09Å; M509-W511 HydrophobicContact CG-CH2 4.23Å; M509-W511 HydrophobicContact CG-CZ2 3.62Å; M509-V538 HydrophobicContact CE-CG2 3.71Å
510	Q	98.7	Very high	96.1	Very high	0 Å²	0	30 Å²	30	0%	0	17%	0.165	C	C	.	.			trans	-101.3	93.8	-174.5	-73	165.6	-146.4	0	0	110.8	I484 M486 A517 T529 D532 V536 N537 V538	I484-Q510 HydrophobicContact CD1-CB 4.11Å; M486-Q510 HydrophobicContact CE-CG 4.37Å; Q510-A517 HydrophobicContact CB-CB 4.18Å; Q510-A517 HydrophobicContact CG-CB 4Å; Q510-T529 HydrophobicContact CG-CG2 3.97Å; Q510-D532 PolarHBondContact NE2-OD1 2.71Å; Q510-V536 PolarHBondContact NE2-O 2.89Å; Q510-N537 HydrophobicContact CB-CB 4.19Å; Q510-N537 VanDerWaalsContact O-CA 3.28Å; Q510-N537 WeakPolarHBondContact O-CA 3.43Å; Q510-N537 WeakPolarHBondContact O-CB 3.25Å; Q510-V538 PolarHBondContact O-N 3.49Å; Q510-V538 VanDerWaalsContact O-N 3.1Å
511	W	98.6	Very high	96.7	Very high	7 Å²	7	31.6 Å²	31.6	3%	0.027	17%	0.17	C	C	.	.			trans	-84.4	-53.6	-175.3	-62.6	101.7	0	0	0	112.6	F131 K148 Y151 M509 A517 N537 V538 D539	F131-W511 HydrophobicContact CD1-CZ2 4.3Å; F131-W511 HydrophobicContact CD2-CZ2 4.34Å; F131-W511 HydrophobicContact CE1-CH2 4.12Å; F131-W511 AromaticContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE1-CZ2 3.98Å; F131-W511 HydrophobicContact CE2-CH2 4.09Å; F131-W511 AromaticContact CE2-CZ2 3.97Å; F131-W511 HydrophobicContact CE2-CZ2 3.97Å; F131-W511 AromaticContact CZ-CH2 3.68Å; F131-W511 HydrophobicContact CZ-CH2 3.68Å; F131-W511 AromaticContact CZ-CZ2 3.8Å; F131-W511 HydrophobicContact CZ-CZ2 3.8Å; F131-W511 PolarHBondContact O-NE1 3.12Å; K148-W511 HydrophobicContact CB-CH2 3.98Å; K148-W511 HydrophobicContact CB-CZ2 4.31Å; K148-W511 HydrophobicContact CD-CD2 4.43Å; K148-W511 HydrophobicContact CD-CE3 4.19Å; K148-W511 HydrophobicContact CD-CH2 3.83Å; K148-W511 HydrophobicContact CD-CZ2 4.07Å; K148-W511 HydrophobicContact CD-CZ3 3.89Å; K148-W511 HydrophobicContact CG-CH2 3.78Å; K148-W511 HydrophobicContact CG-CZ2 3.77Å; K148-W511 HydrophobicContact CG-CZ3 4.36Å; Y151-W511 AromaticContact CD1-CH2 3.65Å; Y151-W511 HydrophobicContact CD1-CH2 3.65Å; Y151-W511 AromaticContact CD1-CZ3 3.58Å; Y151-W511 HydrophobicContact CD1-CZ3 3.58Å; Y151-W511 HydrophobicContact CD2-CZ3 4.12Å; Y151-W511 AromaticContact CE1-CH2 3.87Å; Y151-W511 HydrophobicContact CE1-CH2 3.87Å; Y151-W511 AromaticContact CE1-CZ3 3.8Å; Y151-W511 HydrophobicContact CE1-CZ3 3.8Å; Y151-W511 HydrophobicContact CE2-CZ3 4.33Å; Y151-W511 HydrophobicContact CG-CH2 4.22Å; Y151-W511 AromaticContact CG-CZ3 3.73Å; Y151-W511 HydrophobicContact CG-CZ3 3.73Å; M509-W511 HydrophobicContact CB-CZ2 4.3Å; M509-W511 HydrophobicContact CG-CD2 4.09Å; M509-W511 HydrophobicContact CG-CH2 4.23Å; M509-W511 HydrophobicContact CG-CZ2 3.62Å; W511-A517 WeakPolarHBondContact CA-O 3.4Å; W511-A517 WeakPolarHBondContact CB-O 3.35Å; W511-A517 PolarHBondContact N-O 3.32Å; W511-N537 PolarHBondContact O-OD1 3.3Å; W511-V538 HydrophobicContact CE3-CB 4.41Å; W511-V538 HydrophobicContact CE3-CG2 3.94Å; W511-V538 HydrophobicContact CZ3-CG2 4.25Å; W511-V538 WeakPolarHBondContact O-CB 3.23Å; W511-V538 PolarHBondContact O-N 3.03Å; W511-D539 PolarHBondContact O-N 2.85Å
512	D	97.8	Very high	97.2	Very high	40 Å²	40	27.2 Å²	27.2	21%	0.214	15%	0.149	C	C	.	.	S	Bend	trans	-146.5	-170.5	-173.3	64.4	46.8	0	0	0	112.2	S514 A517 G518 D539	D512-S514 WeakPolarHBondContact OD1-CA 3.32Å; D512-S514 WeakPolarHBondContact OD1-CB 3.27Å; D512-S514 PolarHBondContact OD1-N 3.44Å; D512-S514 PolarHBondContact OD1-OG 3.02Å; D512-A517 PolarHBondContact N-O 3.03Å; D512-A517 VanDerWaalsContact N-O 3.08Å; D512-A517 CarbonylContact O-C 3.42Å; D512-A517 WeakPolarHBondContact O-CA 3.22Å; D512-G518 WeakPolarHBondContact OD1-CA 3.41Å; D512-G518 PolarHBondContact OD1-N 3.36Å; D512-D539 HydrophobicContact CB-CB 4.26Å; D512-D539 VanDerWaalsContact CB-OD2 3.3Å; D512-D539 WeakPolarHBondContact CB-OD2 3.04Å
513	N	97.2	Very high	97.4	Very high	80 Å²	80	32 Å²	32	43%	0.428	18%	0.182	S	C	.	.	S	Bend	trans	-89.9	2.7	-177.7	-72.9	-24.8	0	0	0	114.6	H534 N537	N513-H534 VanDerWaalsContact OD1-CA 3.27Å; N513-H534 WeakPolarHBondContact OD1-CA 3.46Å; N513-H534 PolarHBondContact OD1-O 3.09Å; N513-N537 PolarHBondContact OD1-ND2 3.03Å
514	S	97.5	Very high	97.5	Very high	54 Å²	54	38.4 Å²	38.4	38%	0.378	22%	0.217	S	C	.	.	S	Bend	trans	-73.5	178	179	74.1	0	0	0	0	111.9	D512 N516 A517 G518 Y533	D512-S514 WeakPolarHBondContact OD1-CA 3.32Å; D512-S514 WeakPolarHBondContact OD1-CB 3.27Å; D512-S514 PolarHBondContact OD1-N 3.44Å; D512-S514 PolarHBondContact OD1-OG 3.02Å; S514-N516 PolarHBondContact O-N 3.1Å; S514-A517 WeakPolarHBondContact O-CA 3.38Å; S514-A517 PolarHBondContact O-N 3.02Å; S514-G518 VanDerWaalsContact OG-CA 3.27Å; S514-G518 WeakPolarHBondContact OG-CA 3.38Å; S514-G518 PolarHBondContact OG-N 2.96Å; S514-Y533 VanDerWaalsContact O-CE2 3.23Å; S514-Y533 WeakPolarHBondContact O-CE2 3.48Å
515	S	97.1	Very high	97.6	Very high	73 Å²	73	35 Å²	35	51%	0.51	21%	0.207	S	C	.	.	G	3₁₀ helix	trans	-51.2	136.4	175.9	50.4	0	0	0	0	111.3	A517 G518	S515-A517 PolarHBondContact O-N 2.8Å; S515-G518 PolarHBondContact O-N 3.06Å
516	N	97.7	Very high	97.6	Very high	32 Å²	32	36.1 Å²	36.1	17%	0.171	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	55.5	27.5	-176.6	-44.5	-53.9	0	0	0	113.7	S514 G518 F519 S520 A522 T525	S514-N516 PolarHBondContact O-N 3.1Å; N516-G518 VanDerWaalsContact C-N 3.28Å; N516-G518 PolarHBondContact O-N 3.15Å; N516-F519 VanDerWaalsContact O-CB 3.31Å; N516-F519 WeakPolarHBondContact O-CB 3.35Å; N516-F519 PolarHBondContact O-N 3.08Å; N516-S520 PolarHBondContact ND2-O 2.99Å; N516-A522 PolarHBondContact ND2-O 3.35Å; N516-T525 HydrophobicContact CB-CG2 3.88Å
517	A	98.3	Very high	97.5	Very high	0 Å²	0	36 Å²	36	0%	0	21%	0.211	C	C	.	.	G	3₁₀ helix	trans	56.8	33	-176.9	0	0	0	0	0	115.2	Q510 W511 D512 S514 S515 F519 T529 Y533	Q510-A517 HydrophobicContact CB-CB 4.18Å; Q510-A517 HydrophobicContact CG-CB 4Å; W511-A517 WeakPolarHBondContact CA-O 3.4Å; W511-A517 WeakPolarHBondContact CB-O 3.35Å; W511-A517 PolarHBondContact N-O 3.32Å; D512-A517 PolarHBondContact N-O 3.03Å; D512-A517 VanDerWaalsContact N-O 3.08Å; D512-A517 CarbonylContact O-C 3.42Å; D512-A517 WeakPolarHBondContact O-CA 3.22Å; S514-A517 WeakPolarHBondContact O-CA 3.38Å; S514-A517 PolarHBondContact O-N 3.02Å; S515-A517 PolarHBondContact O-N 2.8Å; A517-F519 PolarHBondContact O-N 3.19Å; A517-F519 VanDerWaalsContact O-N 3.14Å; A517-T529 HydrophobicContact CB-CG2 3.67Å; A517-Y533 HydrophobicContact CB-CD2 3.39Å; A517-Y533 HydrophobicContact CB-CE2 4.18Å; A517-Y533 HydrophobicContact CB-CG 3.69Å
518	G	98.1	Very high	97.4	Very high	11 Å²	11	39 Å²	39	11%	0.113	23%	0.23	C	C	.	.	G	3₁₀ helix	trans	72.6	1.6	-179.1	0	0	0	0	0	114.5	K132 D512 S514 S515 N516	K132-G518 VanDerWaalsContact CE-O 3.25Å; K132-G518 WeakPolarHBondContact CE-O 3.23Å; K132-G518 PolarHBondContact NZ-O 3.29Å; D512-G518 WeakPolarHBondContact OD1-CA 3.41Å; D512-G518 PolarHBondContact OD1-N 3.36Å; S514-G518 VanDerWaalsContact OG-CA 3.27Å; S514-G518 WeakPolarHBondContact OG-CA 3.38Å; S514-G518 PolarHBondContact OG-N 2.96Å; S515-G518 PolarHBondContact O-N 3.06Å; N516-G518 VanDerWaalsContact C-N 3.28Å; N516-G518 PolarHBondContact O-N 3.15Å
519	F	98.7	Very high	97.3	Very high	0 Å²	0	40.2 Å²	40.2	0%	0	24%	0.237	C	C	.	.	S	Bend	trans	-64.2	-47.6	173.5	165.4	-102.9	0	0	0	111.4	S130 K132 D133 P508 N516 A517 T525	S130-F519 VanDerWaalsContact C-CE2 3.45Å; K132-F519 PolarHBondContact NZ-O 3.31Å; D133-F519 HydrophobicContact CB-CE1 4.18Å; D133-F519 HydrophobicContact CB-CE2 4.45Å; D133-F519 HydrophobicContact CB-CZ 4.11Å; D133-F519 PolarHBondContact N-O 2.91Å; D133-F519 VanDerWaalsContact N-O 3.09Å; P508-F519 HydrophobicContact CB-CB 4.01Å; P508-F519 HydrophobicContact CB-CD1 3.71Å; P508-F519 HydrophobicContact CB-CD2 3.9Å; P508-F519 HydrophobicContact CB-CE1 4.1Å; P508-F519 HydrophobicContact CB-CE2 4.29Å; P508-F519 HydrophobicContact CB-CG 3.59Å; P508-F519 HydrophobicContact CB-CZ 4.37Å; P508-F519 HydrophobicContact CG-CD1 4.13Å; P508-F519 HydrophobicContact CG-CE1 4.16Å; P508-F519 HydrophobicContact CG-CG 4.48Å; N516-F519 VanDerWaalsContact O-CB 3.31Å; N516-F519 WeakPolarHBondContact O-CB 3.35Å; N516-F519 PolarHBondContact O-N 3.08Å; A517-F519 PolarHBondContact O-N 3.19Å; A517-F519 VanDerWaalsContact O-N 3.14Å; F519-T525 HydrophobicContact CD1-CG2 3.59Å; F519-T525 HydrophobicContact CE1-CG2 3.7Å
520	S	98.5	Very high	97.3	Very high	2 Å²	2	41.3 Å²	41.3	1%	0.014	24%	0.243	C	C	.	.			trans	-145.2	145.8	-174.9	179	0	0	0	0	111.9	D133 N516 A522	D133-S520 VanDerWaalsContact OD2-CB 3.24Å; D133-S520 WeakPolarHBondContact OD2-CB 3.48Å; D133-S520 PolarHBondContact OD2-OG 2.96Å; N516-S520 PolarHBondContact ND2-O 2.99Å; S520-A522 VanDerWaalsContact C-N 3.35Å; S520-A522 WeakPolarHBondContact OG-CB 3.44Å; S520-A522 PolarHBondContact OG-N 3.43Å
521	E	97.9	Very high	97.2	Very high	137 Å²	137	46.3 Å²	46.3	64%	0.64	28%	0.279	S	S	*	.	S	Bend	trans	-89.2	0	169.1	-63.1	178.4	-155.4	0	0	113	K136	K136-E521 HydrophobicContact CD-CB 4.06Å; K136-E521 WeakPolarHBondContact CE-OE2 3.48Å; K136-E521 HydrophobicContact CG-CB 4.12Å; K136-E521 IonicContact NZ-OE2 3.76Å; K136-E521 PolarHBondContact NZ-OE2 2.93Å
522	A	97.2	Very high	97.1	Very high	15 Å²	15	48.3 Å²	48.3	12%	0.124	29%	0.29	C	S	.	.	S	Bend	trans	-65.7	159	175.3	0	0	0	0	0	111.5	K136 N516 S520 N524	K136-A522 WeakPolarHBondContact O-CB 3.49Å; N516-A522 PolarHBondContact ND2-O 3.35Å; S520-A522 VanDerWaalsContact C-N 3.35Å; S520-A522 WeakPolarHBondContact OG-CB 3.44Å; S520-A522 PolarHBondContact OG-N 3.43Å; A522-N524 VanDerWaalsContact C-N 3.33Å; A522-N524 PolarHBondContact O-N 3.07Å
523	S	95.8	Very high	97.1	Very high	116 Å²	116	48.5 Å²	48.5	81%	0.811	29%	0.288	S	S	*	.	S	Bend	trans	-67.7	-33.9	176.8	-55.9	0	0	0	0	113.1
524	N	94.9	Very high	97.1	Very high	136 Å²	136	49.6 Å²	49.6	73%	0.727	29%	0.29	S	S	*	.	S	Bend	trans	-137.6	150.2	177.3	-63.4	-49.8	0	0	0	109.3	A522	A522-N524 VanDerWaalsContact C-N 3.33Å; A522-N524 PolarHBondContact O-N 3.07Å
525	T	96.5	Very high	97	Very high	28 Å²	28	50.7 Å²	50.7	17%	0.172	30%	0.295	C	S	.	.			trans	-107.3	161.9	175.6	49.7	0	0	0	0	110.8	N516 F519 L527	N516-T525 HydrophobicContact CB-CG2 3.88Å; F519-T525 HydrophobicContact CD1-CG2 3.59Å; F519-T525 HydrophobicContact CE1-CG2 3.7Å; T525-L527 WeakPolarHBondContact CB-O 3.45Å; T525-L527 PolarHBondContact O-N 3.45Å; T525-L527 PolarHBondContact OG1-O 3.34Å
526	W	95.8	Very high	96.9	Very high	25 Å²	25	48.5 Å²	48.5	10%	0.095	28%	0.278	C	S	.	.	S	Bend	trans	-61.6	-32.3	-179.3	83.4	-79.6	0	0	0	113	Y127 R129 S130 G138 N139 L494 Y498 L503 K506	Y127-W526 HydrophobicContact CD1-CZ2 4.33Å; Y127-W526 AromaticContact CE1-CH2 3.76Å; Y127-W526 HydrophobicContact CE1-CH2 3.76Å; Y127-W526 AromaticContact CE1-CZ2 3.57Å; Y127-W526 HydrophobicContact CE1-CZ2 3.57Å; R129-W526 HydrophobicContact CB-CZ2 4.25Å; R129-W526 HydrophobicContact CG-CD2 4Å; R129-W526 HydrophobicContact CG-CG 4.15Å; R129-W526 HydrophobicContact CG-CZ2 4.36Å; R129-W526 PolarHBondContact O-NE1 3.26Å; S130-W526 VanDerWaalsContact OG-CE2 3.31Å; S130-W526 WeakPolarHBondContact OG-CZ2 3.31Å; S130-W526 PolarHBondContact OG-NE1 3.16Å; G138-W526 PolarHBondContact O-N 2.77Å; N139-W526 WeakPolarHBondContact OD1-CB 3.44Å; L494-W526 HydrophobicContact CD1-CE3 4.35Å; L494-W526 HydrophobicContact CD1-CZ3 4.15Å; L494-W526 VanDerWaalsContact CD2-O 3.3Å; L494-W526 WeakPolarHBondContact CD2-O 3.3Å; Y498-W526 HydrophobicContact CD1-CZ3 4.35Å; Y498-W526 HydrophobicContact CE1-CH2 4.11Å; Y498-W526 AromaticContact CE1-CZ3 3.83Å; Y498-W526 HydrophobicContact CE1-CZ3 3.83Å; Y498-W526 HydrophobicContact CE2-CZ3 4.15Å; Y498-W526 AromaticContact CZ-CZ3 3.71Å; L503-W526 HydrophobicContact CD2-CH2 4.46Å; L503-W526 HydrophobicContact CD2-CZ3 4.38Å; K506-W526 HydrophobicContact CB-CH2 4.21Å; K506-W526 HydrophobicContact CB-CZ2 4.32Å; K506-W526 WeakPolarHBondContact O-CZ2 3.44Å
527	L	96	Very high	97	Very high	0 Å²	0	47 Å²	47	0%	0	27%	0.27	C	S	.	.	S	Bend	trans	-128	148.7	167.3	-85.2	178.9	0	0	0	110.7	I489 L494 L503 K506 P508 T525	I489-L527 HydrophobicContact CD1-CB 4.42Å; I489-L527 HydrophobicContact CD1-CD1 4.39Å; I489-L527 HydrophobicContact CD1-CD2 4.22Å; L494-L527 HydrophobicContact CD1-CD2 4.07Å; L494-L527 HydrophobicContact CD2-CD2 4.1Å; L494-L527 HydrophobicContact CG-CD2 4.34Å; L503-L527 HydrophobicContact CD2-CD1 4.12Å; L503-L527 HydrophobicContact CD2-CD2 4.38Å; K506-L527 HydrophobicContact CB-CD1 4.07Å; K506-L527 WeakPolarHBondContact O-CD1 3.37Å; P508-L527 WeakPolarHBondContact CD-O 3.37Å; P508-L527 WeakPolarHBondContact CG-O 3.35Å; T525-L527 WeakPolarHBondContact CB-O 3.45Å; T525-L527 PolarHBondContact O-N 3.45Å; T525-L527 PolarHBondContact OG1-O 3.34Å
528	P	96.3	Very high	96.9	Very high	62 Å²	62	47.5 Å²	47.5	40%	0.403	27%	0.273	S	S	.	.	P	Polyproline II helix	trans	-62.3	138.1	175.1	-15.1	27.2	0	0	0	111.6	A492	A492-P528 HydrophobicContact CB-CG 3.95Å
529	T	96.8	Very high	96.8	Very high	26 Å²	26	50.9 Å²	50.9	16%	0.16	29%	0.289	C	S	.	.	P	Polyproline II helix	trans	-68.3	147.7	165.3	-50.1	0	0	0	0	110.1	Q510 A517 Y533	Q510-T529 HydrophobicContact CG-CG2 3.97Å; A517-T529 HydrophobicContact CB-CG2 3.67Å; T529-Y533 HydrophobicContact CG2-CD1 4.45Å; T529-Y533 HydrophobicContact CG2-CG 4.36Å
530	N	97.1	Very high	96.4	Very high	23 Å²	23	51.9 Å²	51.9	12%	0.123	29%	0.294	C	S	.	.	P	Polyproline II helix	trans	-65.3	143.2	176.1	-155.1	-28.6	0	0	0	111	G487 N488 I489 D532 Y533	G487-N530 PolarHBondContact O-ND2 3.17Å; N488-N530 PolarHBondContact O-ND2 3.48Å; I489-N530 HydrophobicContact CG2-CB 3.9Å; N530-D532 VanDerWaalsContact CB-OD1 3.31Å; N530-D532 WeakPolarHBondContact CB-OD1 3.49Å; N530-D532 PolarHBondContact O-N 3.22Å; N530-D532 PolarHBondContact OD1-OD1 3.16Å; N530-Y533 VanDerWaalsContact O-CD1 3.3Å; N530-Y533 WeakPolarHBondContact O-CD1 3.43Å; N530-Y533 PolarHBondContact O-N 2.99Å
531	S	96.8	Very high	95.9	Very high	106 Å²	106	54.2 Å²	54.2	74%	0.741	31%	0.306	S	S	*	.	G	3₁₀ helix	trans	-68.3	-16.9	-174.9	58.9	0	0	0	0	114.4	Y533	S531-Y533 VanDerWaalsContact C-N 3.28Å; S531-Y533 PolarHBondContact O-N 3Å
532	D	96.9	Very high	95.4	Very high	49 Å²	49	51.5 Å²	51.5	26%	0.262	30%	0.296	S	S	.	.	G	3₁₀ helix	trans	-85.2	4.2	-179.7	66.5	-13.2	0	0	0	113.6	Q510 N530 H534 T535 V536	Q510-D532 PolarHBondContact NE2-OD1 2.71Å; N530-D532 VanDerWaalsContact CB-OD1 3.31Å; N530-D532 WeakPolarHBondContact CB-OD1 3.49Å; N530-D532 PolarHBondContact O-N 3.22Å; N530-D532 PolarHBondContact OD1-OD1 3.16Å; D532-H534 PolarHBondContact O-N 2.97Å; D532-T535 PolarHBondContact O-N 2.93Å; D532-T535 PolarHBondContact O-OG1 3.08Å; D532-V536 HydrophobicContact CB-CG2 4.5Å; D532-V536 PolarHBondContact O-N 2.96Å
533	Y	97.6	Very high	94.6	Very high	44 Å²	44	57.5 Å²	57.5	17%	0.173	33%	0.325	C	S	.	.	G	3₁₀ helix	trans	-58.2	-21.5	-176.7	80.6	-84.2	0	0	0	114.5	S514 A517 T529 N530 S531 T535 N537	S514-Y533 VanDerWaalsContact O-CE2 3.23Å; S514-Y533 WeakPolarHBondContact O-CE2 3.48Å; A517-Y533 HydrophobicContact CB-CD2 3.39Å; A517-Y533 HydrophobicContact CB-CE2 4.18Å; A517-Y533 HydrophobicContact CB-CG 3.69Å; T529-Y533 HydrophobicContact CG2-CD1 4.45Å; T529-Y533 HydrophobicContact CG2-CG 4.36Å; N530-Y533 VanDerWaalsContact O-CD1 3.3Å; N530-Y533 WeakPolarHBondContact O-CD1 3.43Å; N530-Y533 PolarHBondContact O-N 2.99Å; S531-Y533 VanDerWaalsContact C-N 3.28Å; S531-Y533 PolarHBondContact O-N 3Å; Y533-T535 PolarHBondContact O-N 3.42Å; Y533-N537 PolarHBondContact O-ND2 3.12Å
534	H	96.7	Very high	93.5	Very high	102 Å²	102	59 Å²	59	47%	0.472	31%	0.313	S	S	.	.	G	3₁₀ helix	trans	-68.4	-20.4	174.9	-70.1	-58.7	0	0	0	114.3	N513 D532	N513-H534 VanDerWaalsContact OD1-CA 3.27Å; N513-H534 WeakPolarHBondContact OD1-CA 3.46Å; N513-H534 PolarHBondContact OD1-O 3.09Å; D532-H534 PolarHBondContact O-N 2.97Å
535	T	95.5	Very high	91.8	Very high	78 Å²	78	58.3 Å²	58.3	48%	0.479	31%	0.305	S	S	.	.	T	Hydrogen-bonded Turn	trans	-120.6	-17.5	-178	58.8	0	0	0	0	113.3	D532 Y533 R544	D532-T535 PolarHBondContact O-N 2.93Å; D532-T535 PolarHBondContact O-OG1 3.08Å; Y533-T535 PolarHBondContact O-N 3.42Å; T535-R544 PolarHBondContact O-NH2 2.9Å
536	V	96.8	Very high	89.5	Confident	27 Å²	27	61.1 Å²	61.1	16%	0.164	32%	0.324	C	S	.	.	S	Bend	trans	-122.1	91	176.8	-175.8	0	0	0	0	108.6	I484 Q510 D532	I484-V536 WeakPolarHBondContact O-CG1 3.33Å; Q510-V536 PolarHBondContact NE2-O 2.89Å; D532-V536 HydrophobicContact CB-CG2 4.5Å; D532-V536 PolarHBondContact O-N 2.96Å
537	N	98	Very high	87.2	Confident	0 Å²	0	66.4 Å²	66.4	0%	0	36%	0.363	C	S	.	.	S	Bend	trans	-156.1	165.9	172.2	64	71.4	0	0	0	109.9	Q510 W511 N513 Y533 D539 V540 I541	Q510-N537 HydrophobicContact CB-CB 4.19Å; Q510-N537 VanDerWaalsContact O-CA 3.28Å; Q510-N537 WeakPolarHBondContact O-CA 3.43Å; Q510-N537 WeakPolarHBondContact O-CB 3.25Å; W511-N537 PolarHBondContact O-OD1 3.3Å; N513-N537 PolarHBondContact OD1-ND2 3.03Å; Y533-N537 PolarHBondContact O-ND2 3.12Å; N537-D539 PolarHBondContact O-N 3.3Å; N537-D539 PolarHBondContact OD1-N 2.84Å; N537-D539 VanDerWaalsContact OD1-N 3.16Å; N537-V540 VanDerWaalsContact ND2-CG2 3.27Å; N537-V540 WeakPolarHBondContact ND2-CG2 3.43Å; N537-V540 PolarHBondContact O-N 2.84Å; N537-V540 WeakPolarHBondContact OD1-CB 3.41Å; N537-V540 WeakPolarHBondContact OD1-CG2 3.15Å; N537-V540 PolarHBondContact OD1-N 3.33Å; N537-I541 WeakPolarHBondContact O-CD1 3.45Å; N537-I541 VanDerWaalsContact O-CG1 3.31Å; N537-I541 WeakPolarHBondContact O-CG1 3.4Å; N537-I541 PolarHBondContact O-N 2.85Å; N537-I541 VanDerWaalsContact O-N 3.15Å
538	V	97.5	Very high	84.8	Confident	10 Å²	10	69.7 Å²	69.7	6%	0.061	39%	0.386	C	S	.	.	H	α-helix	trans	-56.5	-52.1	-177.6	176.3	0	0	0	0	111.6	Y151 I484 M509 Q510 W511 V540 I541 L542	Y151-V538 HydrophobicContact CD2-CG1 4.05Å; Y151-V538 HydrophobicContact CE2-CG1 3.68Å; Y151-V538 HydrophobicContact CE2-CG2 3.95Å; I484-V538 HydrophobicContact CD1-CG2 4.49Å; I484-V538 HydrophobicContact CG2-CG2 3.97Å; M509-V538 HydrophobicContact CE-CG2 3.71Å; Q510-V538 PolarHBondContact O-N 3.49Å; Q510-V538 VanDerWaalsContact O-N 3.1Å; W511-V538 HydrophobicContact CE3-CB 4.41Å; W511-V538 HydrophobicContact CE3-CG2 3.94Å; W511-V538 HydrophobicContact CZ3-CG2 4.25Å; W511-V538 WeakPolarHBondContact O-CB 3.23Å; W511-V538 PolarHBondContact O-N 3.03Å; V538-V540 PolarHBondContact O-N 2.99Å; V538-I541 PolarHBondContact O-N 3.06Å; V538-L542 HydrophobicContact CG1-CD1 3.83Å; V538-L542 HydrophobicContact CG1-CG 4.33Å; V538-L542 WeakPolarHBondContact O-CG 3.34Å; V538-L542 PolarHBondContact O-N 2.79Å
539	D	95.5	Very high	82.1	Confident	83 Å²	83	70.9 Å²	70.9	44%	0.444	40%	0.396	S	S	.	.	H	α-helix	trans	-58.7	-45.9	-176.6	-83.3	6.9	0	0	0	112.7	W511 D512 N537 I541 L542 L543	W511-D539 PolarHBondContact O-N 2.85Å; D512-D539 HydrophobicContact CB-CB 4.26Å; D512-D539 VanDerWaalsContact CB-OD2 3.3Å; D512-D539 WeakPolarHBondContact CB-OD2 3.04Å; N537-D539 PolarHBondContact O-N 3.3Å; N537-D539 PolarHBondContact OD1-N 2.84Å; N537-D539 VanDerWaalsContact OD1-N 3.16Å; D539-I541 VanDerWaalsContact C-N 3.33Å; D539-I541 PolarHBondContact O-N 3.02Å; D539-L542 PolarHBondContact O-N 2.99Å; D539-L543 VanDerWaalsContact O-CG 3.3Å; D539-L543 WeakPolarHBondContact O-CG 3.39Å; D539-L543 PolarHBondContact O-N 3.18Å
540	V	91.3	Very high	79.3	Confident	20 Å²	20	74.3 Å²	74.3	12%	0.121	43%	0.426	C	S	.	.	H	α-helix	trans	-64.4	-39	179.6	168.9	0	0	0	0	111.2	N537 V538 L543 R544	N537-V540 VanDerWaalsContact ND2-CG2 3.27Å; N537-V540 WeakPolarHBondContact ND2-CG2 3.43Å; N537-V540 PolarHBondContact O-N 2.84Å; N537-V540 WeakPolarHBondContact OD1-CB 3.41Å; N537-V540 WeakPolarHBondContact OD1-CG2 3.15Å; N537-V540 PolarHBondContact OD1-N 3.33Å; V538-V540 PolarHBondContact O-N 2.99Å; V540-L543 PolarHBondContact O-N 3.16Å; V540-R544 WeakPolarHBondContact O-CG 3.42Å; V540-R544 PolarHBondContact O-N 3.15Å; V540-R544 VanDerWaalsContact O-N 3.12Å
541	I	87.9	Confident	76.9	Confident	51 Å²	51	78.5 Å²	78.5	26%	0.262	45%	0.453	S	S	.	.	H	α-helix	trans	-69.5	-41.5	-180	-70.7	166.4	0	0	0	110.8	I484 N537 V538 D539 L543 R544 H545	I484-I541 HydrophobicContact CB-CD1 3.47Å; I484-I541 VanDerWaalsContact CB-CD1 3.47Å; I484-I541 HydrophobicContact CG2-CD1 3.59Å; N537-I541 WeakPolarHBondContact O-CD1 3.45Å; N537-I541 VanDerWaalsContact O-CG1 3.31Å; N537-I541 WeakPolarHBondContact O-CG1 3.4Å; N537-I541 PolarHBondContact O-N 2.85Å; N537-I541 VanDerWaalsContact O-N 3.15Å; V538-I541 PolarHBondContact O-N 3.06Å; D539-I541 VanDerWaalsContact C-N 3.33Å; D539-I541 PolarHBondContact O-N 3.02Å; I541-L543 VanDerWaalsContact C-N 3.32Å; I541-L543 PolarHBondContact O-N 2.89Å; I541-R544 PolarHBondContact O-N 3.16Å; I541-H545 PolarHBondContact O-N 3.03Å
542	L	85.9	Confident	74	Confident	80 Å²	80	81.5 Å²	81.5	42%	0.419	48%	0.484	S	S	.	.	H	α-helix	trans	-61	-40.3	174.9	-70.7	173.6	0	0	0	111.8	V538 D539 H545	V538-L542 HydrophobicContact CG1-CD1 3.83Å; V538-L542 HydrophobicContact CG1-CG 4.33Å; V538-L542 WeakPolarHBondContact O-CG 3.34Å; V538-L542 PolarHBondContact O-N 2.79Å; D539-L542 PolarHBondContact O-N 2.99Å; L542-H545 CarbonylContact O-C 3.54Å; L542-H545 PolarHBondContact O-N 2.94Å
543	L	80.8	Confident	72.9	Confident	141 Å²	141	83.2 Å²	83.2	74%	0.738	50%	0.495	S	S	*	.	H	α-helix	trans	-69.3	-31.1	177.7	-71.2	170.7	0	0	0	113.7	D539 V540 I541 H545	D539-L543 VanDerWaalsContact O-CG 3.3Å; D539-L543 WeakPolarHBondContact O-CG 3.39Å; D539-L543 PolarHBondContact O-N 3.18Å; V540-L543 PolarHBondContact O-N 3.16Å; I541-L543 VanDerWaalsContact C-N 3.32Å; I541-L543 PolarHBondContact O-N 2.89Å; L543-H545 VanDerWaalsContact C-N 3.27Å; L543-H545 PolarHBondContact O-N 2.89Å
544	R	72.8	Confident	71.6	Confident	149 Å²	149	85.2 Å²	85.2	56%	0.562	51%	0.512	S	S	*	.	H	α-helix	trans	-71.5	-22.4	176.9	-75.5	177.7	-174.5	172	10.2	113	T535 V540 I541	T535-R544 PolarHBondContact O-NH2 2.9Å; V540-R544 WeakPolarHBondContact O-CG 3.42Å; V540-R544 PolarHBondContact O-N 3.15Å; V540-R544 VanDerWaalsContact O-N 3.12Å; I541-R544 PolarHBondContact O-N 3.16Å
545	H	59.5	Low	70.2	Confident	121 Å²	121	84.3 Å²	84.3	56%	0.56	51%	0.514	S	S	*	.			trans	-127.2	76.3	-178.6	-64.7	-69.2	0	0	0	110.6	I541 L542 L543 C547 S548	I541-H545 PolarHBondContact O-N 3.03Å; L542-H545 CarbonylContact O-C 3.54Å; L542-H545 PolarHBondContact O-N 2.94Å; L543-H545 VanDerWaalsContact C-N 3.27Å; L543-H545 PolarHBondContact O-N 2.89Å; H545-C547 PolarHBondContact O-N 2.7Å; H545-S548 PolarHBondContact O-N 3.47Å; H545-S548 VanDerWaalsContact O-N 3.09Å
546	P	47.4	Very low	68.7	Low	87 Å²	87	84.6 Å²	84.6	57%	0.565	52%	0.517	S	S	*	.	G	3₁₀ helix	trans	-63.1	-8.2	-172.8	22.2	-31.7	0	0	0	114.9	S548 S549	P546-S548 PolarHBondContact O-N 2.96Å; P546-S549 WeakPolarHBondContact O-CB 3.35Å; P546-S549 PolarHBondContact O-N 3Å; P546-S549 PolarHBondContact O-OG 3.28Å
547	C	47	Very low	67	Low	136 Å²	136	88.3 Å²	88.3	92%	0.919	54%	0.539	S	S	*	.	G	3₁₀ helix	trans	-63.2	-13.8	169.8	-71.9	0	0	0	0	113.9	H545	H545-C547 PolarHBondContact O-N 2.7Å
548	S	46.1	Very low	64.9	Low	68 Å²	68	94.1 Å²	94.1	48%	0.476	58%	0.575	S	S	.	*	G	3₁₀ helix	trans	-95.3	-2.3	177.2	-49.7	0	0	0	0	114	H545 P546 A550	H545-S548 PolarHBondContact O-N 3.47Å; H545-S548 VanDerWaalsContact O-N 3.09Å; P546-S548 PolarHBondContact O-N 2.96Å; S548-A550 PolarHBondContact O-N 2.84Å; S548-A550 VanDerWaalsContact O-N 3.09Å
549	S	39.3	Very low	62.6	Low	88 Å²	88	100.1 Å²	100.1	62%	0.615	61%	0.611	S	S	*	*	T	Hydrogen-bonded Turn	trans	-78.2	14.3	-170.5	61.7	0	0	0	0	116.1	P546 V551	P546-S549 WeakPolarHBondContact O-CB 3.35Å; P546-S549 PolarHBondContact O-N 3Å; P546-S549 PolarHBondContact O-OG 3.28Å; S549-V551 VanDerWaalsContact C-N 3.32Å
550	A	39.7	Very low	60	Low	97 Å²	97	101.5 Å²	101.5	80%	0.802	62%	0.624	S	S	*	*	T	Hydrogen-bonded Turn	trans	-84.1	-2.8	177.7	0	0	0	0	0	114.1	S548	S548-A550 PolarHBondContact O-N 2.84Å; S548-A550 VanDerWaalsContact O-N 3.09Å
551	V	46.8	Very low	57.4	Low	112 Å²	112	108.3 Å²	108.3	68%	0.679	67%	0.666	S	S	*	*			trans	-140.8	79.3	-177.7	-168	0	0	0	0	109.3	S549	S549-V551 VanDerWaalsContact C-N 3.32Å
552	A	35.7	Very low	54.6	Low	169 Å²	169	113.5 Å²	113.5	100%	1.397	70%	0.703	S	S	*	*			trans	-125.5	0	164.6	0	0	0	0	0	108.4

Retrieved 552 of 552 residues in 1190.2 ms (Link to these results)

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