A0A093HNK4_STRCA Loading...

Tyrosine 3-monooxygenase

AlphaFold DB , UniProt , Accession A0A093HNK4, Species STRCA (Struthio camelus australis), Gene n/a, Length 491 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	35.1	Very low	32.6	Very low	239 Å²	239	134.8 Å²	134.8	100%	1.177	84%	0.836	S	S	*	*				0	132.8	0	-77.4	-97.7	-97.5	0	0	107.6
2	P	39.1	Very low	32.6	Very low	117 Å²	117	140.7 Å²	140.7	76%	0.76	84%	0.841	S	S	*	*			cis	-126.3	166.5	6.8	34.8	-15.9	0	0	0	115
3	T	35.5	Very low	32.6	Very low	126 Å²	126	134.6 Å²	134.6	77%	0.773	83%	0.825	S	S	*	*			trans	-68	166.4	166.4	36.2	0	0	0	0	112.8
4	P	32.6	Very low	32.5	Very low	126 Å²	126	137.9 Å²	137.9	82%	0.818	82%	0.823	S	S	*	*			trans	-127.8	136	133.9	30.7	-16.5	0	0	0	113.4
5	N	26.8	Very low	32.4	Very low	155 Å²	155	143.9 Å²	143.9	83%	0.829	83%	0.825	S	S	*	*			trans	-59.6	142	170.8	-82.9	-28.7	0	0	0	112.5
6	I	29	Very low	32.4	Very low	170 Å²	170	147.6 Å²	147.6	87%	0.872	82%	0.822	S	S	*	*			trans	-127.1	133.3	146.4	-63.2	-178.9	0	0	0	108.7
7	S	28	Very low	32.4	Very low	98 Å²	98	142.7 Å²	142.7	69%	0.685	81%	0.805	S	S	*	*			trans	-67.8	143.4	-165.1	53.7	0	0	0	0	116
8	T	32	Very low	32.5	Very low	146 Å²	146	139.6 Å²	139.6	90%	0.896	79%	0.789	S	S	*	*			trans	-80.6	111.7	164.4	39.9	0	0	0	0	111.5
9	S	34.4	Very low	32.8	Very low	111 Å²	111	136.5 Å²	136.5	78%	0.776	78%	0.777	S	S	*	*			trans	-154.1	72.8	161.9	68.7	0	0	0	0	112.4
10	A	33.1	Very low	32.8	Very low	105 Å²	105	136.7 Å²	136.7	87%	0.868	77%	0.771	S	S	*	*	S	Bend	trans	-154.1	17	168.5	0	0	0	0	0	115.5
11	A	32.9	Very low	32.9	Very low	90 Å²	90	136.2 Å²	136.2	74%	0.744	77%	0.766	S	S	*	*	S	Bend	trans	-111.9	10.5	-175.6	0	0	0	0	0	115.3
12	K	32.8	Very low	33.1	Very low	205 Å²	205	130 Å²	130	89%	0.891	74%	0.737	S	S	*	*	S	Bend	trans	-111.3	-1.3	-178.2	-80.3	-176.5	175.8	178.5	0	115.6
13	G	32.2	Very low	32.9	Very low	62 Å²	62	127.2 Å²	127.2	64%	0.639	72%	0.721	S	S	*	*	S	Bend	trans	-91	-28.2	178.2	0	0	0	0	0	115.3
14	F	30.9	Very low	32.8	Very low	181 Å²	181	129.1 Å²	129.1	79%	0.794	72%	0.718	S	S	*	*	H	α-helix	trans	-89.3	-19.1	-168.5	-128.7	-93.6	0	0	0	114.8
15	R	32	Very low	33	Very low	228 Å²	228	129.5 Å²	129.5	86%	0.86	71%	0.71	S	S	*	*	H	α-helix	trans	-83.1	-10.9	179.2	-80.1	-173.3	-179.8	179.3	0.3	114.7
16	R	31.8	Very low	33.2	Very low	203 Å²	203	124.8 Å²	124.8	77%	0.766	69%	0.692	S	S	*	*	H	α-helix	trans	-96	-27.7	-177.5	-128.3	177.4	-177.2	179.9	-0.9	113.6
17	A	33	Very low	33.4	Very low	64 Å²	64	124 Å²	124	53%	0.529	69%	0.685	S	S	.	*	H	α-helix	trans	-79.1	-24.5	179.9	0	0	0	0	0	113.9
18	V	33	Very low	33.6	Very low	87 Å²	87	123.2 Å²	123.2	53%	0.527	68%	0.684	S	S	.	*	H	α-helix	trans	-77.1	-26.1	177.2	-174.5	0	0	0	0	111.7
19	S	38.8	Very low	33.6	Very low	80 Å²	80	123.1 Å²	123.1	56%	0.559	68%	0.676	S	S	*	*	H	α-helix	trans	-77.3	-21.3	-178.2	-179	0	0	0	0	114.4	S23	S19-S23 PolarHBondContact O-OG 3.05Å
20	E	33.5	Very low	33.3	Very low	140 Å²	140	125.6 Å²	125.6	65%	0.654	68%	0.678	S	S	*	*	H	α-helix	trans	-92.8	-17.9	-178.1	-72.5	-175.1	176.7	0	0	113.2	S23	E20-S23 WeakPolarHBondContact CA-OG 3.4Å; E20-S23 PolarHBondContact O-OG 3.03Å
21	L	34.3	Very low	33	Very low	128 Å²	128	124.7 Å²	124.7	67%	0.67	67%	0.665	S	S	*	*	H	α-helix	trans	-82.2	-34.8	173.5	-94.3	144.2	0	0	0	112.1	Q25	L21-Q25 PolarHBondContact O-N 2.94Å
22	D	40.3	Very low	32.9	Very low	107 Å²	107	125.6 Å²	125.6	57%	0.572	66%	0.663	S	S	*	*	H	α-helix	trans	-69.2	-33.7	174.7	-90.7	-15.3	0	0	0	113.1	Q25 A26	D22-Q25 PolarHBondContact O-N 3.01Å; D22-A26 WeakPolarHBondContact O-CB 3.5Å; D22-A26 PolarHBondContact O-N 3.3Å
23	S	34.7	Very low	32.8	Very low	60 Å²	60	126 Å²	126	42%	0.42	66%	0.659	S	S	.	*	H	α-helix	trans	-73.3	-32.2	-178.6	37.3	0	0	0	0	112.8	S19 E20 A26 E27	S19-S23 PolarHBondContact O-OG 3.05Å; E20-S23 WeakPolarHBondContact CA-OG 3.4Å; E20-S23 PolarHBondContact O-OG 3.03Å; S23-A26 PolarHBondContact O-N 3.11Å; S23-E27 PolarHBondContact O-N 3.35Å
24	K	33.8	Very low	32.6	Very low	165 Å²	165	133 Å²	133	72%	0.717	67%	0.672	S	S	*	*	H	α-helix	trans	-77.3	-26.1	174.5	-73.8	-176	177.7	177.2	0	113.7
25	Q	34.8	Very low	32.5	Very low	135 Å²	135	132.3 Å²	132.3	63%	0.631	68%	0.675	S	S	*	*	H	α-helix	trans	-76.7	-30.2	169	-82.4	-176.7	-9.4	0	0	112.2	L21 D22	L21-Q25 PolarHBondContact O-N 2.94Å; D22-Q25 PolarHBondContact O-N 3.01Å
26	A	31.9	Very low	32.4	Very low	56 Å²	56	124.2 Å²	124.2	46%	0.463	66%	0.663	S	S	.	*	H	α-helix	trans	-68.9	-35.7	175	0	0	0	0	0	113.5	D22 S23 I29	D22-A26 WeakPolarHBondContact O-CB 3.5Å; D22-A26 PolarHBondContact O-N 3.3Å; S23-A26 PolarHBondContact O-N 3.11Å; A26-I29 PolarHBondContact O-N 2.92Å
27	E	32.3	Very low	32.4	Very low	154 Å²	154	125.2 Å²	125.2	72%	0.72	67%	0.666	S	S	*	*	H	α-helix	trans	-73.5	-26.8	177.5	-78.3	-175.8	159	0	0	113.6	S23 I29 M30	S23-E27 PolarHBondContact O-N 3.35Å; E27-I29 PolarHBondContact O-N 3.35Å; E27-M30 PolarHBondContact O-N 2.69Å
28	A	32.7	Very low	32.4	Very low	80 Å²	80	134.7 Å²	134.7	66%	0.661	69%	0.688	S	S	*	*	H	α-helix	trans	-71	-18.5	175.3	0	0	0	0	0	113.3
29	I	32.2	Very low	32.5	Very low	145 Å²	145	133.9 Å²	133.9	74%	0.744	68%	0.679	S	S	*	*	T	Hydrogen-bonded Turn	trans	-85.3	-12.5	176.2	-63.1	169.8	0	0	0	111.4	A26 E27	A26-I29 PolarHBondContact O-N 2.92Å; E27-I29 PolarHBondContact O-N 3.35Å
30	M	29.2	Very low	32.6	Very low	163 Å²	163	132.9 Å²	132.9	80%	0.803	67%	0.672	S	S	*	*			trans	-103.4	34.4	-177.9	-64.6	-155.6	73	0	0	114.4	E27	E27-M30 PolarHBondContact O-N 2.69Å
31	S	26.4	Very low	32.7	Very low	86 Å²	86	133.4 Å²	133.4	60%	0.601	68%	0.679	S	S	*	*			trans	-78.4	123.2	168.3	179.2	0	0	0	0	111	R33	S31-R33 VanDerWaalsContact C-N 3.26Å; S31-R33 PolarHBondContact O-N 2.83Å
32	P	30.1	Very low	32.9	Very low	109 Å²	109	133.8 Å²	133.8	71%	0.708	68%	0.68	S	S	*	*			trans	-80.8	73	-179.6	33.6	-32.8	0	0	0	110.1
33	R	30.1	Very low	32.8	Very low	214 Å²	214	132.8 Å²	132.8	81%	0.808	67%	0.672	S	S	*	*			trans	-137.7	72.4	165	-83.2	-170.6	173.4	177	-1	109.2	S31	S31-R33 VanDerWaalsContact C-N 3.26Å; S31-R33 PolarHBondContact O-N 2.83Å
34	F	28.4	Very low	33.5	Very low	207 Å²	207	132.8 Å²	132.8	91%	0.908	67%	0.667	S	S	*	*			trans	171.4	55	147.1	-100.7	-77.1	0	0	0	108.2	G36	F34-G36 VanDerWaalsContact C-N 3.35Å; F34-G36 PolarHBondContact O-N 3.02Å
35	I	29.2	Very low	34	Very low	167 Å²	167	126 Å²	126	86%	0.856	64%	0.642	S	S	*	*			trans	-82.2	92.3	161.7	-62.6	173.5	0	0	0	105.6
36	G	30.1	Very low	35	Very low	58 Å²	58	125.7 Å²	125.7	60%	0.598	64%	0.635	S	S	*	*	S	Bend	trans	-172.6	99.3	177.1	0	0	0	0	0	111	F34	F34-G36 VanDerWaalsContact C-N 3.35Å; F34-G36 PolarHBondContact O-N 3.02Å
37	R	32.6	Very low	36.1	Very low	224 Å²	224	127.8 Å²	127.8	85%	0.845	63%	0.633	S	S	*	*			trans	74.4	81.5	178.9	-68.1	-176.4	175.1	179.6	-2.5	116.9
38	R	33	Very low	37.5	Very low	263 Å²	263	125 Å²	125	99%	0.992	62%	0.62	S	S	*	*			trans	-92.9	84.8	137.7	-90.1	-176.2	173.5	174.1	-1.7	107.6
39	Q	35.3	Very low	39	Very low	70 Å²	70	123.6 Å²	123.6	33%	0.327	60%	0.598	S	S	.	*			trans	-80.5	141.2	156.2	-122.2	149.5	-10.8	0	0	106.4	L41 D44	Q39-L41 PolarHBondContact O-N 2.86Å; Q39-D44 WeakPolarHBondContact CB-OD1 3.21Å
40	S	39	Very low	40.4	Very low	59 Å²	59	121.2 Å²	121.2	41%	0.413	58%	0.584	S	S	.	*			trans	-61.3	133.3	177.6	171.3	0	0	0	0	109	I42 E43 D44	S40-I42 PolarHBondContact O-N 3.26Å; S40-I42 VanDerWaalsContact O-N 3.09Å; S40-I42 PolarHBondContact OG-N 3.29Å; S40-E43 CarbonylContact O-C 3.49Å; S40-E43 WeakPolarHBondContact O-CA 3.32Å; S40-E43 WeakPolarHBondContact O-CB 3.26Å; S40-E43 PolarHBondContact O-N 3.02Å; S40-D44 PolarHBondContact O-N 2.8Å
41	L	37.3	Very low	42	Very low	152 Å²	152	116.5 Å²	116.5	80%	0.796	57%	0.57	S	S	*	*	H	α-helix	trans	-53.7	-30.5	175.4	-73.4	166.3	0	0	0	112.1	Q39 A45	Q39-L41 PolarHBondContact O-N 2.86Å; L41-A45 VanDerWaalsContact O-CB 3.32Å; L41-A45 WeakPolarHBondContact O-CB 2.89Å; L41-A45 PolarHBondContact O-N 2.76Å
42	I	37.7	Very low	43.5	Very low	135 Å²	135	112.9 Å²	112.9	69%	0.692	55%	0.546	S	S	*	.	H	α-helix	trans	-68.3	-36.5	174.4	-60	171.8	0	0	0	111	S40 R46	S40-I42 PolarHBondContact O-N 3.26Å; S40-I42 VanDerWaalsContact O-N 3.09Å; S40-I42 PolarHBondContact OG-N 3.29Å; I42-R46 WeakPolarHBondContact O-CB 3.35Å; I42-R46 PolarHBondContact O-N 2.95Å
43	E	39.1	Very low	44.8	Very low	87 Å²	87	109.4 Å²	109.4	41%	0.407	53%	0.526	S	S	.	.	H	α-helix	trans	-81.5	-30.2	-178.4	-162.7	149.4	-151.8	0	0	112.4	S40 R46 K47	S40-E43 CarbonylContact O-C 3.49Å; S40-E43 WeakPolarHBondContact O-CA 3.32Å; S40-E43 WeakPolarHBondContact O-CB 3.26Å; S40-E43 PolarHBondContact O-N 3.02Å; E43-R46 IonicContact OE1-NH2 2.67Å; E43-K47 WeakPolarHBondContact O-CB 3.48Å; E43-K47 WeakPolarHBondContact O-CG 3.23Å; E43-K47 PolarHBondContact O-N 2.89Å
44	D	48.9	Very low	46.1	Very low	60 Å²	60	102.4 Å²	102.4	32%	0.321	51%	0.514	S	S	.	.	H	α-helix	trans	-68.7	-43.6	168.2	-72.7	-22.8	0	0	0	111.1	Q39 S40 R46 K47 E48	Q39-D44 WeakPolarHBondContact CB-OD1 3.21Å; S40-D44 PolarHBondContact O-N 2.8Å; D44-R46 PolarHBondContact O-N 3.08Å; D44-K47 PolarHBondContact O-N 3.31Å; D44-E48 WeakPolarHBondContact O-CB 3.34Å; D44-E48 WeakPolarHBondContact O-CG 3.31Å; D44-E48 PolarHBondContact O-N 3.5Å
45	A	44.6	Very low	47.5	Very low	22 Å²	22	94 Å²	94	18%	0.182	48%	0.483	C	S	.	.	H	α-helix	trans	-61.4	-41.9	172.5	0	0	0	0	0	111.9	L41 E48 R49	L41-A45 VanDerWaalsContact O-CB 3.32Å; L41-A45 WeakPolarHBondContact O-CB 2.89Å; L41-A45 PolarHBondContact O-N 2.76Å; A45-E48 PolarHBondContact O-N 3.04Å; A45-R49 WeakPolarHBondContact O-CG 3.42Å; A45-R49 PolarHBondContact O-N 3.36Å
46	R	54.6	Low	48.6	Very low	129 Å²	129	87.1 Å²	87.1	49%	0.487	45%	0.449	S	S	.	.	H	α-helix	trans	-62.6	-44.3	175.1	-170.6	176.2	73	107.8	-12.3	112.1	I42 E43 D44 R49 E50	I42-R46 WeakPolarHBondContact O-CB 3.35Å; I42-R46 PolarHBondContact O-N 2.95Å; E43-R46 IonicContact OE1-NH2 2.67Å; D44-R46 PolarHBondContact O-N 3.08Å; R46-R49 PolarHBondContact O-N 2.88Å; R46-E50 IonicContact CZ-OE1 3.95Å; R46-E50 IonicContact NE-OE1 3.53Å; R46-E50 IonicContact NH1-OE1 3.38Å; R46-E50 PolarHBondContact NH1-OE1 2.95Å; R46-E50 WeakPolarHBondContact O-CB 3.25Å; R46-E50 VanDerWaalsContact O-CG 3.32Å; R46-E50 WeakPolarHBondContact O-CG 3.25Å; R46-E50 PolarHBondContact O-N 2.86Å
47	K	56.4	Low	49.5	Very low	99 Å²	99	91.3 Å²	91.3	43%	0.43	46%	0.458	S	S	.	.	H	α-helix	trans	-65	-38.4	175.2	-83.4	-178.7	176.6	-179.3	0	112.7	E43 D44 E50 A51	E43-K47 WeakPolarHBondContact O-CB 3.48Å; E43-K47 WeakPolarHBondContact O-CG 3.23Å; E43-K47 PolarHBondContact O-N 2.89Å; D44-K47 PolarHBondContact O-N 3.31Å; K47-E50 PolarHBondContact O-N 3.14Å; K47-A51 VanDerWaalsContact O-CB 3.25Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.98Å
48	E	60.5	Low	50.2	Low	95 Å²	95	85 Å²	85	44%	0.444	45%	0.453	S	S	.	.	H	α-helix	trans	-65.8	-39.9	174.2	-77.3	-174.1	169.3	0	0	111.3	D44 A45 A51 A52 T99	D44-E48 WeakPolarHBondContact O-CB 3.34Å; D44-E48 WeakPolarHBondContact O-CG 3.31Å; D44-E48 PolarHBondContact O-N 3.5Å; A45-E48 PolarHBondContact O-N 3.04Å; E48-A51 PolarHBondContact O-N 2.88Å; E48-A52 VanDerWaalsContact O-CB 3.25Å; E48-A52 WeakPolarHBondContact O-CB 3.43Å; E48-A52 PolarHBondContact O-N 3.41Å; E48-T99 HydrophobicContact CB-CG2 4.22Å
49	R	64	Low	50.7	Low	52 Å²	52	75.5 Å²	75.5	20%	0.196	43%	0.431	C	S	.	.	H	α-helix	trans	-62.8	-46.1	172.2	-73	-172.5	-164.3	174.6	18.1	112.1	A45 R46 A52 A53 T99 F100 E101 D134	A45-R49 WeakPolarHBondContact O-CG 3.42Å; A45-R49 PolarHBondContact O-N 3.36Å; R46-R49 PolarHBondContact O-N 2.88Å; R49-A52 PolarHBondContact O-N 3.36Å; R49-A53 WeakPolarHBondContact O-CB 3.32Å; R49-A53 PolarHBondContact O-N 2.89Å; R49-T99 HydrophobicContact CG-CG2 4.22Å; R49-T99 VanDerWaalsContact CZ-O 3.23Å; R49-T99 PolarHBondContact NE-O 3.25Å; R49-T99 PolarHBondContact NH2-O 2.87Å; R49-F100 HydrophobicContact CG-CD1 4.16Å; R49-F100 HydrophobicContact CG-CE1 3.86Å; R49-F100 HydrophobicContact CG-CZ 4.25Å; R49-E101 IonicContact CZ-OE1 3.54Å; R49-E101 IonicContact NH2-OE1 3.32Å; R49-E101 PolarHBondContact NH2-OE1 3.47Å; R49-D134 IonicContact CZ-OD2 3.82Å; R49-D134 IonicContact NE-OD2 2.66Å; R49-D134 IonicContact NH1-OD2 3.79Å; R49-D134 PolarHBondContact NH1-OD2 2.98Å
50	E	62.7	Low	50.9	Low	95 Å²	95	81.6 Å²	81.6	44%	0.444	46%	0.459	S	S	.	.	H	α-helix	trans	-63.3	-42	177.6	-74.2	171.1	-173.1	0	0	111.6	R46 K47 A53 A54	R46-E50 IonicContact CZ-OE1 3.95Å; R46-E50 IonicContact NE-OE1 3.53Å; R46-E50 IonicContact NH1-OE1 3.38Å; R46-E50 PolarHBondContact NH1-OE1 2.95Å; R46-E50 WeakPolarHBondContact O-CB 3.25Å; R46-E50 VanDerWaalsContact O-CG 3.32Å; R46-E50 WeakPolarHBondContact O-CG 3.25Å; R46-E50 PolarHBondContact O-N 2.86Å; K47-E50 PolarHBondContact O-N 3.14Å; E50-A53 PolarHBondContact O-N 3.45Å; E50-A54 PolarHBondContact O-N 3.34Å
51	A	62.4	Low	51	Low	63 Å²	63	82.5 Å²	82.5	52%	0.521	47%	0.466	S	S	.	.	H	α-helix	trans	-68.1	-35.4	175.8	0	0	0	0	0	112.7	K47 E48 A55	K47-A51 VanDerWaalsContact O-CB 3.25Å; K47-A51 WeakPolarHBondContact O-CB 3.42Å; K47-A51 PolarHBondContact O-N 2.98Å; E48-A51 PolarHBondContact O-N 2.88Å; A51-A55 WeakPolarHBondContact O-CB 3.45Å; A51-A55 PolarHBondContact O-N 3.45Å
52	A	57.7	Low	51.2	Low	10 Å²	10	82.5 Å²	82.5	8%	0.083	47%	0.472	C	S	.	.	H	α-helix	trans	-68.5	-39.3	173.7	0	0	0	0	0	111.6	E48 R49 A55 T56 F100 T137	E48-A52 VanDerWaalsContact O-CB 3.25Å; E48-A52 WeakPolarHBondContact O-CB 3.43Å; E48-A52 PolarHBondContact O-N 3.41Å; R49-A52 PolarHBondContact O-N 3.36Å; A52-A55 PolarHBondContact O-N 2.98Å; A52-T56 PolarHBondContact O-N 3.42Å; A52-T56 VanDerWaalsContact O-N 3.08Å; A52-T56 PolarHBondContact O-OG1 2.92Å; A52-F100 HydrophobicContact CB-CZ 4.41Å; A52-T137 VanDerWaalsContact C-CG2 3.43Å; A52-T137 HydrophobicContact CB-CG2 3.44Å; A52-T137 VanDerWaalsContact CB-CG2 3.44Å
53	A	58.2	Low	52	Low	36 Å²	36	81.7 Å²	81.7	30%	0.298	47%	0.465	S	S	.	.	H	α-helix	trans	-63.9	-49.7	177.8	0	0	0	0	0	111.2	R49 E50 A55 T56 D57 T137	R49-A53 WeakPolarHBondContact O-CB 3.32Å; R49-A53 PolarHBondContact O-N 2.89Å; E50-A53 PolarHBondContact O-N 3.45Å; A53-A55 PolarHBondContact O-N 2.93Å; A53-A55 VanDerWaalsContact O-N 3.11Å; A53-T56 WeakPolarHBondContact O-CB 3.45Å; A53-T56 PolarHBondContact O-N 2.98Å; A53-D57 PolarHBondContact O-N 2.92Å; A53-T137 HydrophobicContact CB-CG2 4.04Å; A53-T137 VanDerWaalsContact N-CG2 3.26Å
54	A	57.2	Low	53.4	Low	68 Å²	68	83.6 Å²	83.6	56%	0.562	48%	0.483	S	S	*	.	H	α-helix	trans	-58.8	-28.2	177.9	0	0	0	0	0	113.5	E50	E50-A54 PolarHBondContact O-N 3.34Å
55	A	56.5	Low	54.7	Low	31 Å²	31	82.5 Å²	82.5	26%	0.256	48%	0.477	S	S	.	.	T	Hydrogen-bonded Turn	trans	-94.9	-5.2	-180	0	0	0	0	0	113	A51 A52 A53 R144	A51-A55 WeakPolarHBondContact O-CB 3.45Å; A51-A55 PolarHBondContact O-N 3.45Å; A52-A55 PolarHBondContact O-N 2.98Å; A53-A55 PolarHBondContact O-N 2.93Å; A53-A55 VanDerWaalsContact O-N 3.11Å; A55-R144 VanDerWaalsContact C-NH2 3.31Å; A55-R144 PolarHBondContact O-NH2 2.7Å
56	T	51.9	Low	56.4	Low	22 Å²	22	83 Å²	83	14%	0.135	48%	0.477	C	S	.	.	T	Hydrogen-bonded Turn	trans	-84.2	-37.8	171.2	-57.7	0	0	0	0	110.4	A52 A53 A58 A59 S140	A52-T56 PolarHBondContact O-N 3.42Å; A52-T56 VanDerWaalsContact O-N 3.08Å; A52-T56 PolarHBondContact O-OG1 2.92Å; A53-T56 WeakPolarHBondContact O-CB 3.45Å; A53-T56 PolarHBondContact O-N 2.98Å; T56-A58 PolarHBondContact O-N 2.94Å; T56-A59 PolarHBondContact O-N 3.31Å; T56-S140 VanDerWaalsContact CG2-OG 3.23Å; T56-S140 WeakPolarHBondContact CG2-OG 3.26Å; T56-S140 WeakPolarHBondContact OG1-CB 3.35Å
57	D	50.9	Low	57.6	Low	146 Å²	146	80.6 Å²	80.6	78%	0.781	47%	0.471	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.9	-17.5	173.3	-70.7	-16.3	0	0	0	113.5	A53	A53-D57 PolarHBondContact O-N 2.92Å
58	A	45.5	Very low	58.7	Low	90 Å²	90	81.8 Å²	81.8	74%	0.744	48%	0.478	S	S	*	.	T	Hydrogen-bonded Turn	trans	-90.9	-7	177.6	0	0	0	0	0	114.3	T56	T56-A58 PolarHBondContact O-N 2.94Å
59	A	44.9	Very low	59.7	Low	64 Å²	64	83 Å²	83	53%	0.529	48%	0.484	S	S	.	.			trans	-129.8	72.7	-172.6	0	0	0	0	0	111.4	T56 S61	T56-A59 PolarHBondContact O-N 3.31Å; A59-S61 PolarHBondContact O-N 3.34Å
60	E	38.3	Very low	60.5	Low	199 Å²	199	88 Å²	88	93%	0.93	51%	0.507	S	S	*	.			trans	-73.2	92.8	167.7	-78.3	-171.6	155.4	0	0	110.2
61	S	41.2	Very low	61.3	Low	78 Å²	78	90.5 Å²	90.5	55%	0.545	52%	0.523	S	S	.	.			trans	-109	115.7	158.7	70.5	0	0	0	0	108.9	A59 E63	A59-S61 PolarHBondContact O-N 3.34Å; S61-E63 PolarHBondContact O-N 3.49Å
62	T	41.8	Very low	62.3	Low	151 Å²	151	89.1 Å²	89.1	93%	0.926	52%	0.515	S	S	*	.			trans	-71.4	64.2	-176.3	-7.4	0	0	0	0	112.3
63	E	54.9	Low	63.7	Low	118 Å²	118	93.5 Å²	93.5	55%	0.551	53%	0.529	S	S	*	.			trans	-102.5	119.6	166	-78.5	-177.4	158.9	0	0	109.3	S61 I65 K143	S61-E63 PolarHBondContact O-N 3.49Å; E63-I65 PolarHBondContact O-N 3.43Å; E63-K143 IonicContact OE2-NZ 2.7Å; E63-K143 PolarHBondContact OE2-NZ 3.01Å
64	T	67.5	Low	65.1	Low	127 Å²	127	91.8 Å²	91.8	78%	0.779	52%	0.515	S	S	*	.			trans	-64.9	107.9	179.8	-45.2	0	0	0	0	109.8	V66	T64-V66 PolarHBondContact O-N 3.01Å
65	I	77.8	Confident	66.5	Low	37 Å²	37	90.3 Å²	90.3	19%	0.19	50%	0.497	C	S	.	.			trans	-70.2	125	173	-61.2	165.9	0	0	0	107.8	E63 F67 L76 L135 N136 I139 T151	E63-I65 PolarHBondContact O-N 3.43Å; I65-F67 HydrophobicContact CG2-CD1 4.21Å; I65-L76 HydrophobicContact CG2-CD2 4.11Å; I65-L135 HydrophobicContact CG2-CD1 4.1Å; I65-L135 HydrophobicContact CG2-CD2 4.27Å; I65-L135 HydrophobicContact CG2-CG 4.34Å; I65-N136 VanDerWaalsContact CD1-OD1 3.31Å; I65-N136 WeakPolarHBondContact CD1-OD1 3.39Å; I65-I139 HydrophobicContact CD1-CB 4.08Å; I65-I139 HydrophobicContact CD1-CG1 4.01Å; I65-I139 HydrophobicContact CD1-CG2 4.08Å; I65-I139 HydrophobicContact CG1-CG1 4.41Å; I65-I139 HydrophobicContact CG1-CG2 4.32Å; I65-I139 HydrophobicContact CG2-CG1 4.17Å; I65-T151 HydrophobicContact CG2-CG2 4.06Å
66	V	79.2	Confident	68.1	Low	32 Å²	32	88.9 Å²	88.9	19%	0.194	49%	0.485	C	S	.	.			trans	-104.6	122.4	-178.2	179.1	0	0	0	0	109.3	T64 T151 K153	T64-V66 PolarHBondContact O-N 3.01Å; V66-T151 PolarHBondContact N-OG1 2.93Å; V66-K153 HydrophobicContact CG1-CB 4.08Å; V66-K153 HydrophobicContact CG1-CD 4.29Å; V66-K153 HydrophobicContact CG1-CG 3.16Å
67	F	80.2	Confident	69.7	Low	80 Å²	80	88.4 Å²	88.4	35%	0.351	48%	0.482	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-151.3	162.4	-178.8	64.5	-80	0	0	0	111.5	I65 E69 A74 M75 L76 L135	I65-F67 HydrophobicContact CG2-CD1 4.21Å; F67-E69 HydrophobicContact CD2-CB 4.23Å; F67-E69 HydrophobicContact CE2-CB 3.98Å; F67-A74 HydrophobicContact CB-CB 4.32Å; F67-A74 HydrophobicContact CD2-CB 3.57Å; F67-A74 HydrophobicContact CE2-CB 4.17Å; F67-A74 HydrophobicContact CG-CB 4.18Å; F67-M75 VanDerWaalsContact CA-O 3.29Å; F67-M75 WeakPolarHBondContact CA-O 3.47Å; F67-M75 WeakPolarHBondContact CB-O 2.97Å; F67-L76 HydrophobicContact CB-CD2 3.61Å; F67-L76 HydrophobicContact CB-CG 4.31Å; F67-L135 HydrophobicContact CD1-CD2 3.47Å; F67-L135 VanDerWaalsContact CD1-CD2 3.47Å; F67-L135 HydrophobicContact CD2-CD2 4.04Å; F67-L135 HydrophobicContact CE1-CD2 3.4Å; F67-L135 VanDerWaalsContact CE1-CD2 3.4Å; F67-L135 HydrophobicContact CE2-CD2 3.96Å; F67-L135 HydrophobicContact CG-CD2 3.8Å; F67-L135 HydrophobicContact CZ-CD2 3.65Å
68	E	79.8	Confident	71.5	Confident	123 Å²	123	81.5 Å²	81.5	58%	0.575	45%	0.445	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-107.9	128	168	-63.7	-179.8	172.1	0	0	108.7	A74 M75	E68-A74 WeakPolarHBondContact O-CA 3.11Å; E68-M75 HydrophobicContact CB-CB 4.3Å; E68-M75 PolarHBondContact N-O 3.44Å; E68-M75 PolarHBondContact O-N 2.81Å
69	E	82	Confident	73.4	Confident	122 Å²	122	77.9 Å²	77.9	57%	0.57	41%	0.413	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-102.3	130.6	-179.4	-171	166.4	-162.5	0	0	111.2	F67 R73 S132	F67-E69 HydrophobicContact CD2-CB 4.23Å; F67-E69 HydrophobicContact CE2-CB 3.98Å; E69-R73 WeakPolarHBondContact CA-O 3.23Å; E69-S132 VanDerWaalsContact OE1-CB 3.26Å; E69-S132 WeakPolarHBondContact OE1-CB 3.32Å; E69-S132 PolarHBondContact OE1-OG 2.82Å
70	K	79.4	Confident	75.4	Confident	156 Å²	156	75 Å²	75	68%	0.678	39%	0.388	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-147.9	130.9	174.3	-169.5	179.4	174.6	-174.8	0	109.7	G72 R73	K70-G72 VanDerWaalsContact C-N 3.28Å; K70-G72 PolarHBondContact O-N 3.05Å; K70-R73 PolarHBondContact N-O 3Å; K70-R73 PolarHBondContact O-N 3.09Å; K70-R73 VanDerWaalsContact O-O 3.1Å
71	D	80.9	Confident	77.5	Confident	147 Å²	147	65.6 Å²	65.6	79%	0.786	34%	0.344	S	S	*	.	T	Hydrogen-bonded Turn	trans	53.4	38.4	174.1	-55.6	-38.5	0	0	0	114.7	R73	D71-R73 VanDerWaalsContact C-N 3.25Å; D71-R73 PolarHBondContact O-N 2.91Å
72	G	82.1	Confident	79.4	Confident	34 Å²	34	63.4 Å²	63.4	35%	0.351	33%	0.326	S	S	.	.	T	Hydrogen-bonded Turn	trans	75.4	10.9	-179.6	0	0	0	0	0	114.6	K70 S132	K70-G72 VanDerWaalsContact C-N 3.28Å; K70-G72 PolarHBondContact O-N 3.05Å; G72-S132 VanDerWaalsContact C-OG 3.25Å; G72-S132 PolarHBondContact O-N 3.01Å; G72-S132 PolarHBondContact O-OG 2.76Å
73	R	87.9	Confident	80.7	Confident	102 Å²	102	60.2 Å²	60.2	39%	0.385	30%	0.299	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	143.4	174.2	-61.1	-167.5	171.6	-137.5	-9.6	111.1	E69 K70 D71 E129 V130	E69-R73 WeakPolarHBondContact CA-O 3.23Å; K70-R73 PolarHBondContact N-O 3Å; K70-R73 PolarHBondContact O-N 3.09Å; K70-R73 VanDerWaalsContact O-O 3.1Å; D71-R73 VanDerWaalsContact C-N 3.25Å; D71-R73 PolarHBondContact O-N 2.91Å; R73-E129 HydrophobicContact CB-CG 3.72Å; R73-E129 WeakPolarHBondContact CD-OE1 3.26Å; R73-E129 WeakPolarHBondContact CD-OE2 3.27Å; R73-E129 HydrophobicContact CG-CG 4.35Å; R73-E129 IonicContact CZ-OE2 3.88Å; R73-E129 IonicContact NE-OE2 3.93Å; R73-E129 IonicContact NH1-OE2 3.57Å; R73-E129 PolarHBondContact NH1-OE2 2.65Å; R73-V130 CarbonylContact C-O 3.49Å; R73-V130 WeakPolarHBondContact CA-O 3.46Å
74	A	87.4	Confident	81	Confident	0 Å²	0	57.5 Å²	57.5	0%	0	30%	0.303	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.1	119.3	176.4	0	0	0	0	0	110	F67 E68 E129 V130 L135	F67-A74 HydrophobicContact CB-CB 4.32Å; F67-A74 HydrophobicContact CD2-CB 3.57Å; F67-A74 HydrophobicContact CE2-CB 4.17Å; F67-A74 HydrophobicContact CG-CB 4.18Å; E68-A74 WeakPolarHBondContact O-CA 3.11Å; A74-E129 WeakPolarHBondContact O-CA 3.42Å; A74-V130 HydrophobicContact CB-CG2 4.27Å; A74-V130 PolarHBondContact N-O 3.34Å; A74-V130 PolarHBondContact O-N 2.81Å; A74-L135 HydrophobicContact CB-CD1 4.32Å; A74-L135 HydrophobicContact CB-CD2 4.24Å
75	M	87.1	Confident	80.1	Confident	38 Å²	38	56.4 Å²	56.4	19%	0.187	31%	0.307	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.4	126.6	169.5	-174.3	65.8	59.2	0	0	109.7	F67 E68 R127 E129	F67-M75 VanDerWaalsContact CA-O 3.29Å; F67-M75 WeakPolarHBondContact CA-O 3.47Å; F67-M75 WeakPolarHBondContact CB-O 2.97Å; E68-M75 HydrophobicContact CB-CB 4.3Å; E68-M75 PolarHBondContact N-O 3.44Å; E68-M75 PolarHBondContact O-N 2.81Å; M75-R127 HydrophobicContact SD-CG 3.87Å; M75-E129 HydrophobicContact CE-CB 3.92Å; M75-E129 HydrophobicContact CE-CG 4.36Å; M75-E129 HydrophobicContact SD-CB 4.42Å
76	L	88.8	Confident	78.6	Confident	1 Å²	1	62.6 Å²	62.6	1%	0.005	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	141	-173.8	-69	161.5	0	0	0	111.3	I65 F67 L78 R127 C128 V130 L135 F138 I139 T151	I65-L76 HydrophobicContact CG2-CD2 4.11Å; F67-L76 HydrophobicContact CB-CD2 3.61Å; F67-L76 HydrophobicContact CB-CG 4.31Å; L76-L78 HydrophobicContact CB-CD1 4.43Å; L76-L78 HydrophobicContact CB-CD2 4Å; L76-L78 HydrophobicContact CB-CG 3.99Å; L76-L78 HydrophobicContact CD1-CD2 4.49Å; L76-L78 HydrophobicContact CD2-CD2 4.32Å; L76-R127 CarbonylContact O-C 3.59Å; L76-R127 VanDerWaalsContact O-CA 3.25Å; L76-R127 WeakPolarHBondContact O-CA 3.38Å; L76-C128 PolarHBondContact N-O 2.75Å; L76-C128 PolarHBondContact O-N 3.21Å; L76-V130 HydrophobicContact CD1-CG2 3.54Å; L76-L135 HydrophobicContact CD1-CD1 3.52Å; L76-L135 HydrophobicContact CD2-CD1 3.61Å; L76-L135 HydrophobicContact CG-CD1 3.96Å; L76-F138 HydrophobicContact CD1-CD1 3.86Å; L76-F138 HydrophobicContact CD1-CE1 3.68Å; L76-I139 HydrophobicContact CD1-CD1 4.34Å; L76-T151 HydrophobicContact CD2-CG2 4.47Å
77	N	86.3	Confident	77	Confident	12 Å²	12	67.6 Å²	67.6	6%	0.064	36%	0.363	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-112.6	102.7	168.2	-74.6	-34	0	0	0	108	F125 R127 T151 T152	N77-F125 HydrophobicContact CB-CE2 3.84Å; N77-F125 HydrophobicContact CB-CZ 4.15Å; N77-R127 WeakPolarHBondContact OD1-CG 3.39Å; N77-T151 WeakPolarHBondContact O-CA 3.15Å; N77-T152 HydrophobicContact CB-CG2 3.96Å; N77-T152 WeakPolarHBondContact CB-O 3.24Å; N77-T152 PolarHBondContact O-N 3.1Å; N77-T152 VanDerWaalsContact O-N 3.14Å
78	L	88	Confident	75.9	Confident	0 Å²	0	67.1 Å²	67.1	0%	0	37%	0.37	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.3	130.1	-170.8	-56.3	176.2	0	0	0	110.9	L76 F97 F125 V126 F138 I139 R150 T151	L76-L78 HydrophobicContact CB-CD1 4.43Å; L76-L78 HydrophobicContact CB-CD2 4Å; L76-L78 HydrophobicContact CB-CG 3.99Å; L76-L78 HydrophobicContact CD1-CD2 4.49Å; L76-L78 HydrophobicContact CD2-CD2 4.32Å; L78-F97 HydrophobicContact CD1-CE1 4.22Å; L78-F97 HydrophobicContact CD1-CZ 4.29Å; L78-F125 CarbonylContact O-C 3.58Å; L78-F125 VanDerWaalsContact O-CA 3.26Å; L78-F125 WeakPolarHBondContact O-CA 3.5Å; L78-F125 WeakPolarHBondContact O-CD2 3.41Å; L78-V126 PolarHBondContact N-O 3.4Å; L78-V126 PolarHBondContact O-N 3.36Å; L78-F138 HydrophobicContact CD1-CE1 3.71Å; L78-F138 HydrophobicContact CD1-CZ 3.99Å; L78-I139 HydrophobicContact CD1-CD1 4.43Å; L78-I139 HydrophobicContact CD2-CD1 3.47Å; L78-I139 VanDerWaalsContact CD2-CD1 3.47Å; L78-R150 WeakPolarHBondContact CA-O 3.42Å; L78-T151 HydrophobicContact CD2-CG2 3.43Å; L78-T151 VanDerWaalsContact CD2-CG2 3.43Å
79	F	85.7	Confident	75.4	Confident	15 Å²	15	63.2 Å²	63.2	7%	0.066	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.7	131.2	165	-71.9	-86.3	0	0	0	109.4	E123 Y124 F125 V149 R150 T152	F79-E123 HydrophobicContact CB-CG 4.27Å; F79-E123 HydrophobicContact CD1-CG 3.86Å; F79-Y124 CarbonylContact C-O 3.57Å; F79-Y124 WeakPolarHBondContact CA-O 3.29Å; F79-F125 HydrophobicContact CD1-CB 3.95Å; F79-F125 AromaticContact CD1-CD2 3.93Å; F79-F125 HydrophobicContact CD1-CD2 3.93Å; F79-F125 HydrophobicContact CD1-CG 4.37Å; F79-F125 AromaticContact CD2-CD2 3.84Å; F79-F125 HydrophobicContact CD2-CD2 3.84Å; F79-F125 HydrophobicContact CD2-CE2 4.25Å; F79-F125 HydrophobicContact CE1-CB 3.58Å; F79-F125 AromaticContact CE1-CD2 3.46Å; F79-F125 HydrophobicContact CE1-CD2 3.46Å; F79-F125 VanDerWaalsContact CE1-CD2 3.46Å; F79-F125 HydrophobicContact CE1-CE2 4.37Å; F79-F125 AromaticContact CE1-CG 3.77Å; F79-F125 HydrophobicContact CE1-CG 3.77Å; F79-F125 AromaticContact CE2-CD2 3.33Å; F79-F125 HydrophobicContact CE2-CD2 3.33Å; F79-F125 AromaticContact CE2-CE2 3.52Å; F79-F125 HydrophobicContact CE2-CE2 3.52Å; F79-F125 HydrophobicContact CE2-CG 4.38Å; F79-F125 HydrophobicContact CG-CD2 4.11Å; F79-F125 HydrophobicContact CZ-CB 4.13Å; F79-F125 AromaticContact CZ-CD2 3.13Å; F79-F125 HydrophobicContact CZ-CD2 3.13Å; F79-F125 AromaticContact CZ-CE2 3.6Å; F79-F125 HydrophobicContact CZ-CE2 3.6Å; F79-F125 AromaticContact CZ-CG 3.77Å; F79-F125 HydrophobicContact CZ-CG 3.77Å; F79-V149 CarbonylContact O-C 3.05Å; F79-V149 WeakPolarHBondContact O-CA 3.37Å; F79-R150 HydrophobicContact CB-CB 4.29Å; F79-R150 PolarHBondContact N-O 2.66Å; F79-R150 PolarHBondContact O-N 2.73Å; F79-T152 HydrophobicContact CD2-CG2 4.14Å; F79-T152 HydrophobicContact CE2-CG2 3.66Å
80	F	86.3	Confident	75.1	Confident	2 Å²	2	60.3 Å²	60.3	1%	0.009	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.6	151.9	171.3	64.8	-93.2	0	0	0	116	L82 A93 F97 Y124 V126 I142 T146 E148 V149	F80-L82 HydrophobicContact CD2-CD2 4.27Å; F80-L82 HydrophobicContact CE2-CD2 3.91Å; F80-A93 HydrophobicContact CE2-CB 4.21Å; F80-A93 HydrophobicContact CZ-CB 4.43Å; F80-F97 HydrophobicContact CE1-CE2 4.29Å; F80-F97 HydrophobicContact CE1-CZ 4.09Å; F80-F97 HydrophobicContact CZ-CE2 4.37Å; F80-Y124 HydrophobicContact CD2-CD2 4.4Å; F80-Y124 HydrophobicContact CD2-CG 4.4Å; F80-Y124 HydrophobicContact CE2-CD2 4.07Å; F80-Y124 AromaticContact CE2-CG 3.81Å; F80-Y124 HydrophobicContact CE2-CG 3.81Å; F80-Y124 HydrophobicContact CZ-CG 4.1Å; F80-Y124 PolarHBondContact N-O 3.37Å; F80-Y124 PolarHBondContact O-N 3.31Å; F80-V126 HydrophobicContact CE1-CB 4.36Å; F80-V126 HydrophobicContact CE1-CG2 3.62Å; F80-V126 HydrophobicContact CZ-CG2 4.07Å; F80-I142 HydrophobicContact CD1-CG2 4.49Å; F80-T146 HydrophobicContact CB-CG2 4.1Å; F80-T146 HydrophobicContact CD2-CG2 3.42Å; F80-T146 VanDerWaalsContact CD2-CG2 3.42Å; F80-T146 HydrophobicContact CE2-CG2 4.04Å; F80-T146 HydrophobicContact CG-CG2 3.89Å; F80-E148 WeakPolarHBondContact CA-O 3.45Å; F80-V149 HydrophobicContact CB-CG2 4.23Å
81	T	84	Confident	75.1	Confident	3 Å²	3	55.6 Å²	55.6	2%	0.018	33%	0.33	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-105.9	142.4	171.1	54.1	0	0	0	0	111.1	E123 T146 E147 E148	T81-E123 HydrophobicContact CG2-CB 4.23Å; T81-T146 CarbonylContact O-C 3.58Å; T81-T146 WeakPolarHBondContact O-CA 3.5Å; T81-T146 VanDerWaalsContact O-CB 3.23Å; T81-T146 WeakPolarHBondContact O-CB 3.31Å; T81-E147 PolarHBondContact O-N 2.86Å; T81-E148 PolarHBondContact N-O 3.47Å; T81-E148 PolarHBondContact OG1-N 3.44Å
82	L	80.9	Confident	75.1	Confident	32 Å²	32	55 Å²	55	17%	0.168	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.2	138.8	179.3	-65.8	177.2	0	0	0	110.9	F80 G84 P89 L90 A93 Y124 T146	F80-L82 HydrophobicContact CD2-CD2 4.27Å; F80-L82 HydrophobicContact CE2-CD2 3.91Å; L82-G84 PolarHBondContact O-N 3.33Å; L82-P89 HydrophobicContact CB-CB 3.93Å; L82-P89 HydrophobicContact CD1-CB 4.19Å; L82-P89 HydrophobicContact CD2-CB 4.3Å; L82-P89 HydrophobicContact CG-CB 4.37Å; L82-L90 HydrophobicContact CD1-CB 3.87Å; L82-L90 HydrophobicContact CD1-CD1 4.35Å; L82-A93 HydrophobicContact CD2-CB 4.23Å; L82-Y124 HydrophobicContact CD1-CD2 4.21Å; L82-Y124 HydrophobicContact CD1-CE2 3.34Å; L82-Y124 WeakPolarHBondContact CD1-OH 3.18Å; L82-Y124 HydrophobicContact CG-CD2 3.96Å; L82-Y124 HydrophobicContact CG-CE2 3.54Å; L82-T146 HydrophobicContact CD2-CG2 4.49Å
83	K	67.8	Low	75.3	Confident	83 Å²	83	53.4 Å²	53.4	36%	0.361	30%	0.301	S	S	.	.	P	Polyproline II helix	trans	-67.8	122.4	176.4	-58.6	-159.9	177.6	165.6	0	111.1	R144 T146 E147	K83-R144 PolarHBondContact NZ-O 2.85Å; K83-T146 VanDerWaalsContact CE-C 3.41Å; K83-T146 WeakPolarHBondContact CE-O 3.46Å; K83-E147 VanDerWaalsContact CA-OE1 3.32Å; K83-E147 WeakPolarHBondContact CA-OE1 3.41Å; K83-E147 HydrophobicContact CB-CG 4.45Å; K83-E147 WeakPolarHBondContact CB-OE1 3.26Å; K83-E147 HydrophobicContact CD-CG 4.1Å; K83-E147 HydrophobicContact CG-CB 3.97Å; K83-E147 HydrophobicContact CG-CG 3.68Å; K83-E147 VanDerWaalsContact CG-OE1 3.26Å; K83-E147 WeakPolarHBondContact CG-OE1 3.33Å
84	G	60.9	Low	75.2	Confident	61 Å²	61	52 Å²	52	63%	0.629	30%	0.3	S	S	*	.	T	Hydrogen-bonded Turn	trans	-78	133.3	176.8	0	0	0	0	0	112.9	L82	L82-G84 PolarHBondContact O-N 3.33Å
85	A	49	Very low	75.1	Confident	104 Å²	104	57.3 Å²	57.3	86%	0.86	32%	0.323	S	S	*	.	T	Hydrogen-bonded Turn	trans	133.3	-0.7	160.3	0	0	0	0	0	116.5
86	K	47.5	Very low	75.2	Confident	168 Å²	168	56.3 Å²	56.3	73%	0.73	32%	0.319	S	S	*	.	S	Bend	trans	-128.2	153.6	176.6	-71.7	-173.5	178.5	-178.2	0	112.8	S88 P89	K86-S88 PolarHBondContact O-N 3.31Å; K86-P89 WeakPolarHBondContact O-CD 3.35Å; K86-P89 WeakPolarHBondContact O-CG 3.45Å
87	T	44.7	Very low	75.4	Confident	136 Å²	136	56.5 Å²	56.5	83%	0.834	32%	0.32	S	S	*	.	S	Bend	trans	-56.8	130.6	174.4	48.1	0	0	0	0	111.1
88	S	57.1	Low	75.5	Confident	71 Å²	71	63.1 Å²	63.1	50%	0.497	35%	0.35	S	S	.	.			trans	54.1	67.2	178.2	82.8	0	0	0	0	117.9	K86 S91	K86-S88 PolarHBondContact O-N 3.31Å; S88-S91 WeakPolarHBondContact CB-OG 3.44Å; S88-S91 PolarHBondContact O-OG 2.94Å; S88-S91 PolarHBondContact OG-OG 3.48Å
89	P	68.7	Low	75.5	Confident	41 Å²	41	64 Å²	64	27%	0.266	36%	0.356	S	S	.	.	H	α-helix	trans	-65.5	-35.9	174.2	-17.7	31.1	0	0	0	113.5	L82 K86 R92 A93	L82-P89 HydrophobicContact CB-CB 3.93Å; L82-P89 HydrophobicContact CD1-CB 4.19Å; L82-P89 HydrophobicContact CD2-CB 4.3Å; L82-P89 HydrophobicContact CG-CB 4.37Å; K86-P89 WeakPolarHBondContact O-CD 3.35Å; K86-P89 WeakPolarHBondContact O-CG 3.45Å; P89-R92 PolarHBondContact O-N 2.92Å; P89-A93 PolarHBondContact O-N 2.97Å
90	L	76.1	Confident	75.8	Confident	60 Å²	60	63.7 Å²	63.7	31%	0.314	36%	0.355	S	S	.	.	H	α-helix	trans	-68.4	-42.3	-178.1	-179.9	63.1	0	0	0	112.7	L82 R92 A93 L94 Y124	L82-L90 HydrophobicContact CD1-CB 3.87Å; L82-L90 HydrophobicContact CD1-CD1 4.35Å; L90-R92 PolarHBondContact O-N 2.77Å; L90-A93 WeakPolarHBondContact O-CA 3.45Å; L90-A93 WeakPolarHBondContact O-CB 3.35Å; L90-A93 PolarHBondContact O-N 3.22Å; L90-L94 HydrophobicContact CD1-CD1 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.26Å; L90-L94 HydrophobicContact CD2-CD1 4.49Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 HydrophobicContact CG-CG 4.25Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 3.46Å; L90-Y124 HydrophobicContact CD1-CD1 4.21Å; L90-Y124 HydrophobicContact CD1-CE1 3.75Å; L90-Y124 HydrophobicContact CD2-CE1 4.46Å
91	S	79.3	Confident	75.9	Confident	58 Å²	58	70.3 Å²	70.3	41%	0.406	39%	0.385	S	S	.	.	H	α-helix	trans	-61.5	-32.3	179.7	60.8	0	0	0	0	112.2	S88 K95	S88-S91 WeakPolarHBondContact CB-OG 3.44Å; S88-S91 PolarHBondContact O-OG 2.94Å; S88-S91 PolarHBondContact OG-OG 3.48Å; S91-K95 VanDerWaalsContact O-CB 3.32Å; S91-K95 WeakPolarHBondContact O-CB 3.42Å; S91-K95 PolarHBondContact O-N 2.93Å
92	R	82.4	Confident	76.2	Confident	134 Å²	134	70.9 Å²	70.9	51%	0.506	39%	0.391	S	S	.	.	H	α-helix	trans	-68.8	-39.7	174	-66.1	-179.2	67.1	-167.4	-0.4	111.9	P89 L90 V96 V145	P89-R92 PolarHBondContact O-N 2.92Å; L90-R92 PolarHBondContact O-N 2.77Å; R92-V96 WeakPolarHBondContact O-CG2 3.38Å; R92-V96 PolarHBondContact O-N 2.9Å; R92-V145 HydrophobicContact CB-CB 4.41Å; R92-V145 HydrophobicContact CB-CG1 4.37Å
93	A	84.8	Confident	76.5	Confident	1 Å²	1	75 Å²	75	1%	0.008	41%	0.407	C	S	.	.	H	α-helix	trans	-63.5	-50.8	173.4	0	0	0	0	0	110.2	F80 L82 P89 L90 K95 V96 F97 V145 T146	F80-A93 HydrophobicContact CE2-CB 4.21Å; F80-A93 HydrophobicContact CZ-CB 4.43Å; L82-A93 HydrophobicContact CD2-CB 4.23Å; P89-A93 PolarHBondContact O-N 2.97Å; L90-A93 WeakPolarHBondContact O-CA 3.45Å; L90-A93 WeakPolarHBondContact O-CB 3.35Å; L90-A93 PolarHBondContact O-N 3.22Å; A93-K95 VanDerWaalsContact C-N 3.29Å; A93-K95 PolarHBondContact O-N 3.34Å; A93-V96 VanDerWaalsContact O-CB 3.32Å; A93-V96 WeakPolarHBondContact O-CB 3.34Å; A93-V96 PolarHBondContact O-N 3.36Å; A93-F97 WeakPolarHBondContact O-CD2 3.28Å; A93-F97 PolarHBondContact O-N 3.25Å; A93-V145 HydrophobicContact CB-CG2 4.36Å; A93-T146 HydrophobicContact CB-CG2 4.48Å
94	L	85.9	Confident	77.5	Confident	72 Å²	72	74.1 Å²	74.1	38%	0.377	41%	0.406	S	S	.	.	H	α-helix	trans	-57.7	-38.7	177.6	-67.6	177	0	0	0	112.8	L90 V96 F97 E98 I104 L107	L90-L94 HydrophobicContact CD1-CD1 4.49Å; L90-L94 HydrophobicContact CD1-CG 4.26Å; L90-L94 HydrophobicContact CD2-CD1 4.49Å; L90-L94 HydrophobicContact CG-CD1 4.04Å; L90-L94 HydrophobicContact CG-CG 4.25Å; L90-L94 WeakPolarHBondContact O-CG 3.4Å; L90-L94 PolarHBondContact O-N 3.46Å; L94-V96 PolarHBondContact O-N 2.58Å; L94-F97 WeakPolarHBondContact O-CB 3.44Å; L94-F97 PolarHBondContact O-N 3.38Å; L94-F97 VanDerWaalsContact O-N 3.08Å; L94-E98 PolarHBondContact O-N 2.79Å; L94-I104 HydrophobicContact CD2-CD1 4.44Å; L94-L107 HydrophobicContact CD2-CD1 4.49Å
95	K	86.6	Confident	78.5	Confident	112 Å²	112	74.6 Å²	74.6	49%	0.487	39%	0.392	S	S	.	.	H	α-helix	trans	-60.8	-34.1	174.8	-170.4	171.4	-176.3	-174.7	0	112.4	S91 A93 E98 T99	S91-K95 VanDerWaalsContact O-CB 3.32Å; S91-K95 WeakPolarHBondContact O-CB 3.42Å; S91-K95 PolarHBondContact O-N 2.93Å; A93-K95 VanDerWaalsContact C-N 3.29Å; A93-K95 PolarHBondContact O-N 3.34Å; K95-E98 PolarHBondContact O-N 2.94Å; K95-T99 WeakPolarHBondContact O-CB 3.26Å; K95-T99 PolarHBondContact O-N 3.42Å; K95-T99 PolarHBondContact O-OG1 3.32Å
96	V	89.4	Confident	80.2	Confident	16 Å²	16	70 Å²	70	10%	0.097	35%	0.352	C	S	.	.	H	α-helix	trans	-64.1	-46.8	173.2	177.7	0	0	0	0	110.1	R92 A93 L94 E98 T99 F100 F138 I142 V145	R92-V96 WeakPolarHBondContact O-CG2 3.38Å; R92-V96 PolarHBondContact O-N 2.9Å; A93-V96 VanDerWaalsContact O-CB 3.32Å; A93-V96 WeakPolarHBondContact O-CB 3.34Å; A93-V96 PolarHBondContact O-N 3.36Å; L94-V96 PolarHBondContact O-N 2.58Å; V96-E98 VanDerWaalsContact C-N 3.26Å; V96-E98 PolarHBondContact O-N 2.76Å; V96-T99 PolarHBondContact O-N 2.85Å; V96-F100 HydrophobicContact CG1-CD2 3.8Å; V96-F100 HydrophobicContact CG1-CE2 3.97Å; V96-F100 VanDerWaalsContact O-CD2 3.26Å; V96-F100 WeakPolarHBondContact O-CD2 3.22Å; V96-F100 PolarHBondContact O-N 3.48Å; V96-F100 VanDerWaalsContact O-N 3.13Å; V96-F138 HydrophobicContact CG1-CD2 3.98Å; V96-F138 HydrophobicContact CG1-CE2 4.09Å; V96-I142 HydrophobicContact CB-CD1 3.68Å; V96-I142 HydrophobicContact CB-CG1 4.46Å; V96-I142 HydrophobicContact CG1-CD1 3.54Å; V96-I142 HydrophobicContact CG1-CG1 3.79Å; V96-I142 HydrophobicContact CG2-CD1 4.41Å; V96-V145 HydrophobicContact CG2-CG2 4.02Å
97	F	91.4	Very high	81.9	Confident	5 Å²	5	65 Å²	65	2%	0.022	33%	0.333	C	S	.	.	H	α-helix	trans	-56.4	-43.2	175.4	-68.2	-92.1	0	0	0	111.6	L78 F80 A93 L94 F100 E101 A102 I104 V126 C128 F138 I142	L78-F97 HydrophobicContact CD1-CE1 4.22Å; L78-F97 HydrophobicContact CD1-CZ 4.29Å; F80-F97 HydrophobicContact CE1-CE2 4.29Å; F80-F97 HydrophobicContact CE1-CZ 4.09Å; F80-F97 HydrophobicContact CZ-CE2 4.37Å; A93-F97 WeakPolarHBondContact O-CD2 3.28Å; A93-F97 PolarHBondContact O-N 3.25Å; L94-F97 WeakPolarHBondContact O-CB 3.44Å; L94-F97 PolarHBondContact O-N 3.38Å; L94-F97 VanDerWaalsContact O-N 3.08Å; F97-F100 PolarHBondContact O-N 2.8Å; F97-E101 PolarHBondContact O-N 2.85Å; F97-A102 HydrophobicContact CB-CB 4.03Å; F97-A102 HydrophobicContact CD1-CB 3.85Å; F97-A102 HydrophobicContact CG-CB 4.41Å; F97-A102 WeakPolarHBondContact O-CB 3.35Å; F97-A102 PolarHBondContact O-N 2.94Å; F97-I104 HydrophobicContact CB-CD1 4.09Å; F97-I104 HydrophobicContact CB-CG1 4.49Å; F97-I104 HydrophobicContact CD1-CD1 3.98Å; F97-I104 HydrophobicContact CD1-CG1 3.89Å; F97-I104 HydrophobicContact CE1-CG1 4.46Å; F97-I104 HydrophobicContact CG-CD1 3.96Å; F97-I104 HydrophobicContact CG-CG1 4.33Å; F97-V126 HydrophobicContact CE1-CB 4.34Å; F97-V126 HydrophobicContact CE1-CG1 3.63Å; F97-V126 HydrophobicContact CZ-CB 4.16Å; F97-V126 HydrophobicContact CZ-CG1 3.88Å; F97-V126 HydrophobicContact CZ-CG2 4.23Å; F97-C128 HydrophobicContact CD1-CB 4.32Å; F97-C128 HydrophobicContact CE1-CB 4.15Å; F97-F138 AromaticContact CD1-CE2 3.93Å; F97-F138 HydrophobicContact CD1-CE2 3.93Å; F97-F138 AromaticContact CD1-CZ 3.67Å; F97-F138 HydrophobicContact CD1-CZ 3.67Å; F97-F138 HydrophobicContact CE1-CE2 4.19Å; F97-F138 AromaticContact CE1-CZ 3.55Å; F97-F138 HydrophobicContact CE1-CZ 3.55Å; F97-F138 HydrophobicContact CG-CE2 4.27Å; F97-F138 HydrophobicContact CG-CZ 4.41Å; F97-F138 HydrophobicContact CZ-CZ 4.18Å; F97-I142 HydrophobicContact CD2-CD1 3.98Å; F97-I142 HydrophobicContact CE2-CD1 3.51Å; F97-I142 HydrophobicContact CZ-CD1 3.94Å
98	E	88.3	Confident	83.6	Confident	151 Å²	151	58.8 Å²	58.8	71%	0.706	29%	0.294	S	S	*	.	H	α-helix	trans	-63.5	-48.3	176.5	-170.1	-178.8	-170.8	0	0	112.7	L94 K95 V96 F100 E101	L94-E98 PolarHBondContact O-N 2.79Å; K95-E98 PolarHBondContact O-N 2.94Å; V96-E98 VanDerWaalsContact C-N 3.26Å; V96-E98 PolarHBondContact O-N 2.76Å; E98-F100 PolarHBondContact O-N 2.87Å; E98-E101 PolarHBondContact O-N 2.78Å
99	T	89.1	Confident	84.6	Confident	19 Å²	19	55.6 Å²	55.6	12%	0.117	27%	0.272	C	S	.	.	H	α-helix	trans	-56.3	-36.3	179.1	-65.2	0	0	0	0	111.9	E48 R49 K95 V96	E48-T99 HydrophobicContact CB-CG2 4.22Å; R49-T99 HydrophobicContact CG-CG2 4.22Å; R49-T99 VanDerWaalsContact CZ-O 3.23Å; R49-T99 PolarHBondContact NE-O 3.25Å; R49-T99 PolarHBondContact NH2-O 2.87Å; K95-T99 WeakPolarHBondContact O-CB 3.26Å; K95-T99 PolarHBondContact O-N 3.42Å; K95-T99 PolarHBondContact O-OG1 3.32Å; V96-T99 PolarHBondContact O-N 2.85Å
100	F	90.8	Very high	84.9	Confident	8 Å²	8	55.9 Å²	55.9	4%	0.035	27%	0.268	C	S	.	.	T	Hydrogen-bonded Turn	trans	-91.5	6.7	179.6	-73.9	-82.2	0	0	0	113.9	R49 A52 V96 F97 E98 A102 D134 T137 F138 S141	R49-F100 HydrophobicContact CG-CD1 4.16Å; R49-F100 HydrophobicContact CG-CE1 3.86Å; R49-F100 HydrophobicContact CG-CZ 4.25Å; A52-F100 HydrophobicContact CB-CZ 4.41Å; V96-F100 HydrophobicContact CG1-CD2 3.8Å; V96-F100 HydrophobicContact CG1-CE2 3.97Å; V96-F100 VanDerWaalsContact O-CD2 3.26Å; V96-F100 WeakPolarHBondContact O-CD2 3.22Å; V96-F100 PolarHBondContact O-N 3.48Å; V96-F100 VanDerWaalsContact O-N 3.13Å; F97-F100 PolarHBondContact O-N 2.8Å; E98-F100 PolarHBondContact O-N 2.87Å; F100-A102 PolarHBondContact O-N 3.04Å; F100-A102 VanDerWaalsContact O-N 3.13Å; F100-D134 HydrophobicContact CD1-CB 3.88Å; F100-D134 HydrophobicContact CE1-CB 4.25Å; F100-T137 HydrophobicContact CE1-CG2 3.97Å; F100-T137 HydrophobicContact CZ-CG2 3.78Å; F100-F138 HydrophobicContact CB-CB 4.5Å; F100-F138 HydrophobicContact CB-CD2 3.77Å; F100-F138 HydrophobicContact CB-CE2 4.48Å; F100-F138 HydrophobicContact CB-CG 4.46Å; F100-F138 HydrophobicContact CD1-CB 3.94Å; F100-F138 HydrophobicContact CD2-CB 4.22Å; F100-F138 AromaticContact CD2-CD2 3.69Å; F100-F138 HydrophobicContact CD2-CD2 3.69Å; F100-F138 HydrophobicContact CD2-CG 4.45Å; F100-F138 HydrophobicContact CE1-CB 4.18Å; F100-F138 HydrophobicContact CE2-CB 4.49Å; F100-F138 HydrophobicContact CE2-CD2 4.47Å; F100-F138 HydrophobicContact CG-CB 3.95Å; F100-F138 AromaticContact CG-CD2 3.74Å; F100-F138 HydrophobicContact CG-CD2 3.74Å; F100-F138 HydrophobicContact CG-CG 4.29Å; F100-F138 HydrophobicContact CZ-CB 4.46Å; F100-S141 WeakPolarHBondContact CE2-OG 3.25Å
101	E	88.9	Confident	84.4	Confident	141 Å²	141	56.7 Å²	56.7	66%	0.659	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	50.3	35.3	-174.9	-67.5	164.9	-131.3	0	0	112.1	R49 F97 E98 K103	R49-E101 IonicContact CZ-OE1 3.54Å; R49-E101 IonicContact NH2-OE1 3.32Å; R49-E101 PolarHBondContact NH2-OE1 3.47Å; F97-E101 PolarHBondContact O-N 2.85Å; E98-E101 PolarHBondContact O-N 2.78Å; E101-K103 PolarHBondContact O-N 2.96Å
102	A	89.6	Confident	83.9	Confident	15 Å²	15	54.5 Å²	54.5	12%	0.124	26%	0.257	C	S	.	.			trans	-68.6	122.1	-178.4	0	0	0	0	0	109.3	F97 F100 I104 E129 V130 F138	F97-A102 HydrophobicContact CB-CB 4.03Å; F97-A102 HydrophobicContact CD1-CB 3.85Å; F97-A102 HydrophobicContact CG-CB 4.41Å; F97-A102 WeakPolarHBondContact O-CB 3.35Å; F97-A102 PolarHBondContact O-N 2.94Å; F100-A102 PolarHBondContact O-N 3.04Å; F100-A102 VanDerWaalsContact O-N 3.13Å; A102-I104 PolarHBondContact O-N 3.33Å; A102-E129 CarbonylContact C-O 3.6Å; A102-E129 VanDerWaalsContact CA-O 3.3Å; A102-E129 WeakPolarHBondContact CA-O 3.49Å; A102-V130 HydrophobicContact CB-CG1 3.47Å; A102-V130 VanDerWaalsContact CB-CG1 3.47Å; A102-F138 HydrophobicContact CB-CE2 4.26Å; A102-F138 HydrophobicContact CB-CZ 4.43Å
103	K	88.5	Confident	83	Confident	118 Å²	118	56 Å²	56	51%	0.513	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.8	105.8	173.7	-175.4	178.2	-179.8	179.2	0	108.6	E101 H105 C128 E129	E101-K103 PolarHBondContact O-N 2.96Å; K103-H105 PolarHBondContact O-CD2 3.3Å; K103-H105 PolarHBondContact O-N 3.08Å; K103-C128 CarbonylContact O-C 3.52Å; K103-C128 VanDerWaalsContact O-CA 3.22Å; K103-C128 WeakPolarHBondContact O-CA 3.43Å; K103-E129 HydrophobicContact CB-CB 4.28Å; K103-E129 PolarHBondContact N-O 2.74Å; K103-E129 PolarHBondContact O-N 3.34Å
104	I	87.8	Confident	82.1	Confident	66 Å²	66	63.6 Å²	63.6	34%	0.338	30%	0.295	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.3	120	175	-60.7	174.8	0	0	0	108.1	L94 F97 A102 L107 V126 C128	L94-I104 HydrophobicContact CD2-CD1 4.44Å; F97-I104 HydrophobicContact CB-CD1 4.09Å; F97-I104 HydrophobicContact CB-CG1 4.49Å; F97-I104 HydrophobicContact CD1-CD1 3.98Å; F97-I104 HydrophobicContact CD1-CG1 3.89Å; F97-I104 HydrophobicContact CE1-CG1 4.46Å; F97-I104 HydrophobicContact CG-CD1 3.96Å; F97-I104 HydrophobicContact CG-CG1 4.33Å; A102-I104 PolarHBondContact O-N 3.33Å; I104-L107 HydrophobicContact CG2-CB 4.27Å; I104-V126 HydrophobicContact CG1-CG1 4.28Å; I104-V126 HydrophobicContact CG2-CG1 3.96Å; I104-C128 HydrophobicContact CG1-CB 4.34Å
105	H	83.2	Confident	80.8	Confident	71 Å²	71	63.8 Å²	63.8	33%	0.329	30%	0.301	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.5	-38	175.6	-73.8	-81	0	0	0	111.7	K103 R127	K103-H105 PolarHBondContact O-CD2 3.3Å; K103-H105 PolarHBondContact O-N 3.08Å; H105-R127 HydrophobicContact CB-CB 4.43Å; H105-R127 HydrophobicContact CB-CG 4.21Å; H105-R127 PolarHBondContact N-O 3.32Å
106	H	83.4	Confident	79.7	Confident	8 Å²	8	64.7 Å²	64.7	4%	0.037	30%	0.301	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148.1	144	-179.5	-178.9	57	0	0	0	110.6	E108 F125 V126 R127 D354	H106-E108 IonicContact CD2-OE2 3.5Å; H106-E108 IonicContact CE1-OE2 3.44Å; H106-E108 VanDerWaalsContact NE2-CD 3.29Å; H106-E108 IonicContact NE2-OE2 2.79Å; H106-E108 PolarHBondContact NE2-OE2 3.13Å; H106-F125 AromaticContact CD2-CD1 3.75Å; H106-F125 AromaticContact CD2-CE1 3.73Å; H106-V126 CarbonylContact O-C 3.59Å; H106-V126 WeakPolarHBondContact O-CA 3.44Å; H106-R127 HydrophobicContact CB-CB 3.87Å; H106-R127 PolarHBondContact N-O 3.36Å; H106-R127 VanDerWaalsContact N-O 3.12Å; H106-R127 PolarHBondContact O-N 2.99Å; H106-D354 IonicContact CG-OD2 3.01Å; H106-D354 IonicContact ND1-OD1 3.31Å; H106-D354 IonicContact ND1-OD2 2.73Å
107	L	84.5	Confident	77.7	Confident	61 Å²	61	73.6 Å²	73.6	32%	0.319	34%	0.342	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-142.6	129.3	174.7	-178.2	148.7	0	0	0	109.3	L94 I104 F125 V126	L94-L107 HydrophobicContact CD2-CD1 4.49Å; I104-L107 HydrophobicContact CG2-CB 4.27Å; L107-F125 WeakPolarHBondContact CA-O 3.5Å; L107-V126 HydrophobicContact CD1-CG2 3.95Å; L107-V126 HydrophobicContact CG-CG2 4.09Å
108	E	79.4	Confident	75.9	Confident	6 Å²	6	77.6 Å²	77.6	3%	0.028	39%	0.385	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-148	163.4	175	65.5	-176	-154.2	0	0	110.7	H106 R110 F125 W159	H106-E108 IonicContact CD2-OE2 3.5Å; H106-E108 IonicContact CE1-OE2 3.44Å; H106-E108 VanDerWaalsContact NE2-CD 3.29Å; H106-E108 IonicContact NE2-OE2 2.79Å; H106-E108 PolarHBondContact NE2-OE2 3.13Å; E108-R110 IonicContact OE1-CZ 3.16Å; E108-R110 IonicContact OE1-NE 2.88Å; E108-R110 PolarHBondContact OE1-NE 2.84Å; E108-R110 IonicContact OE1-NH2 2.74Å; E108-R110 PolarHBondContact OE1-NH2 2.97Å; E108-F125 HydrophobicContact CG-CB 3.68Å; E108-F125 HydrophobicContact CG-CD1 3.77Å; E108-F125 HydrophobicContact CG-CG 4.21Å; E108-F125 PolarHBondContact N-O 3.23Å; E108-F125 PolarHBondContact O-N 3.4Å; E108-F125 WeakPolarHBondContact OE1-CD1 3.18Å; E108-W159 WeakPolarHBondContact OE1-CB 3.45Å; E108-W159 VanDerWaalsContact OE2-CB 3.24Å; E108-W159 WeakPolarHBondContact OE2-CB 2.8Å; E108-W159 PolarHBondContact OE2-N 3.32Å
109	T	77.9	Confident	74.4	Confident	5 Å²	5	73.7 Å²	73.7	3%	0.031	37%	0.371	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-115	139.9	173.2	54.4	0	0	0	0	111.4	E123 Y124	T109-E123 CarbonylContact C-O 3.59Å; T109-E123 WeakPolarHBondContact CA-O 3.32Å; T109-Y124 HydrophobicContact CG2-CD1 3.59Å; T109-Y124 HydrophobicContact CG2-CE1 3.43Å; T109-Y124 VanDerWaalsContact CG2-CE1 3.43Å; T109-Y124 HydrophobicContact CG2-CE2 4.45Å; T109-Y124 HydrophobicContact CG2-CG 4.19Å
110	R	75.3	Confident	73	Confident	47 Å²	47	78.8 Å²	78.8	18%	0.177	40%	0.402	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-124.7	163.7	176.8	-58.2	-174.5	-176.2	-176.7	-5.3	109.9	E108 L122 E123 W159	E108-R110 IonicContact OE1-CZ 3.16Å; E108-R110 IonicContact OE1-NE 2.88Å; E108-R110 PolarHBondContact OE1-NE 2.84Å; E108-R110 IonicContact OE1-NH2 2.74Å; E108-R110 PolarHBondContact OE1-NH2 2.97Å; R110-L122 CarbonylContact O-C 3.11Å; R110-L122 WeakPolarHBondContact O-CA 3.32Å; R110-E123 PolarHBondContact N-O 3.26Å; R110-E123 PolarHBondContact O-N 3.09Å; R110-W159 HydrophobicContact CG-CB 4.48Å; R110-W159 HydrophobicContact CG-CG 4.18Å
111	L	65.6	Low	72.1	Confident	76 Å²	76	80.4 Å²	80.4	40%	0.398	41%	0.41	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-68	135.6	165	-81.3	169.9	0	0	0	109.6	R113 T120 K169	L111-R113 PolarHBondContact O-N 3.19Å; L111-T120 HydrophobicContact CD2-CG2 4.09Å; L111-K169 HydrophobicContact CG-CD 4.49Å
112	S	68.4	Low	71.4	Confident	12 Å²	12	76.6 Å²	76.6	8%	0.084	39%	0.394	C	S	.	.			trans	-56.5	134.6	171.9	176.1	0	0	0	0	110.4	K114 E121	S112-K114 PolarHBondContact O-N 2.83Å; S112-K114 PolarHBondContact OG-N 2.8Å; S112-K114 PolarHBondContact OG-O 2.94Å; S112-E121 VanDerWaalsContact CB-O 3.26Å; S112-E121 WeakPolarHBondContact CB-O 3.5Å; S112-E121 PolarHBondContact N-O 2.79Å
113	R	64.6	Low	71.1	Confident	165 Å²	165	76 Å²	76	62%	0.623	39%	0.388	S	S	*	.	S	Bend	trans	-70.9	-15.9	175.7	-65.1	-173.9	-176.6	-178.6	2	112.8	L111	L111-R113 PolarHBondContact O-N 3.19Å
114	K	64.6	Low	71	Confident	161 Å²	161	71.8 Å²	71.8	70%	0.7	37%	0.369	S	S	*	.	S	Bend	trans	-135.4	71.8	179.3	-66.9	-176	-178.3	178.6	0	109.4	S112	S112-K114 PolarHBondContact O-N 2.83Å; S112-K114 PolarHBondContact OG-N 2.8Å; S112-K114 PolarHBondContact OG-O 2.94Å
115	P	59.3	Low	70.9	Confident	76 Å²	76	68.8 Å²	68.8	49%	0.494	35%	0.354	S	S	.	.	P	Polyproline II helix	trans	-62.7	139.9	176.6	25.7	-31.1	0	0	0	110.1	T119	P115-T119 VanDerWaalsContact CB-O 3.28Å; P115-T119 WeakPolarHBondContact CB-O 3.42Å
116	R	62.6	Low	71.1	Confident	132 Å²	132	65.4 Å²	65.4	50%	0.498	34%	0.338	S	S	.	.	P	Polyproline II helix	trans	-62.8	140.5	164.3	-68.7	178.9	175.4	136.8	-4.8	108.9	G118 T119 E121 E147	R116-G118 PolarHBondContact O-N 3.13Å; R116-G118 VanDerWaalsContact O-N 3.14Å; R116-T119 PolarHBondContact O-N 3.48Å; R116-T119 PolarHBondContact O-OG1 2.81Å; R116-E121 WeakPolarHBondContact CD-OE1 3.45Å; R116-E121 IonicContact CZ-OE1 3.67Å; R116-E121 IonicContact NE-OE1 3.87Å; R116-E121 IonicContact NH1-OE1 2.92Å; R116-E121 PolarHBondContact NH1-OE1 3.45Å; R116-E147 IonicContact CZ-OE2 3.19Å; R116-E147 IonicContact NH1-OE2 2.83Å; R116-E147 PolarHBondContact NH1-OE2 3.35Å; R116-E147 IonicContact NH2-OE2 2.69Å; R116-E147 PolarHBondContact NH2-OE2 2.95Å
117	E	48	Very low	71.3	Confident	203 Å²	203	68 Å²	68	95%	0.949	35%	0.348	S	S	*	.	T	Hydrogen-bonded Turn	trans	-46.8	121.2	-176.9	-81.8	-177.5	155.6	0	0	111.5
118	G	54.3	Low	71.5	Confident	89 Å²	89	65 Å²	65	92%	0.918	33%	0.332	S	S	*	.	T	Hydrogen-bonded Turn	trans	83.6	4.7	177.5	0	0	0	0	0	116.4	R116	R116-G118 PolarHBondContact O-N 3.13Å; R116-G118 VanDerWaalsContact O-N 3.14Å
119	T	57.4	Low	72.1	Confident	69 Å²	69	66.7 Å²	66.7	42%	0.423	34%	0.34	S	S	.	.			trans	-124.6	135.1	179.4	62.5	0	0	0	0	113.2	P115 R116 E121	P115-T119 VanDerWaalsContact CB-O 3.28Å; P115-T119 WeakPolarHBondContact CB-O 3.42Å; R116-T119 PolarHBondContact O-N 3.48Å; R116-T119 PolarHBondContact O-OG1 2.81Å; T119-E121 PolarHBondContact O-N 2.77Å
120	T	59.8	Low	72.8	Confident	126 Å²	126	66.5 Å²	66.5	77%	0.773	34%	0.339	S	S	*	.			trans	-83.5	90.1	164	28.8	0	0	0	0	109.5	L111	L111-T120 HydrophobicContact CD2-CG2 4.09Å
121	E	71.2	Confident	73.5	Confident	42 Å²	42	68.7 Å²	68.7	20%	0.196	35%	0.351	C	S	.	.	P	Polyproline II helix	trans	-82.6	133.9	171.3	-81.7	-179.2	172.8	0	0	110.9	S112 R116 T119	S112-E121 VanDerWaalsContact CB-O 3.26Å; S112-E121 WeakPolarHBondContact CB-O 3.5Å; S112-E121 PolarHBondContact N-O 2.79Å; R116-E121 WeakPolarHBondContact CD-OE1 3.45Å; R116-E121 IonicContact CZ-OE1 3.67Å; R116-E121 IonicContact NE-OE1 3.87Å; R116-E121 IonicContact NH1-OE1 2.92Å; R116-E121 PolarHBondContact NH1-OE1 3.45Å; T119-E121 PolarHBondContact O-N 2.77Å
122	L	75	Confident	74.6	Confident	60 Å²	60	66.4 Å²	66.4	31%	0.314	34%	0.341	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-87.1	134.5	172	-65.2	175.1	0	0	0	110.1	R110	R110-L122 CarbonylContact O-C 3.11Å; R110-L122 WeakPolarHBondContact O-CA 3.32Å
123	E	83.3	Confident	75.5	Confident	2 Å²	2	69.8 Å²	69.8	1%	0.009	37%	0.365	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	130.4	169	171.4	166.7	-107.6	0	0	108.9	F79 T81 T109 R110 R150	F79-E123 HydrophobicContact CB-CG 4.27Å; F79-E123 HydrophobicContact CD1-CG 3.86Å; T81-E123 HydrophobicContact CG2-CB 4.23Å; T109-E123 CarbonylContact C-O 3.59Å; T109-E123 WeakPolarHBondContact CA-O 3.32Å; R110-E123 PolarHBondContact N-O 3.26Å; R110-E123 PolarHBondContact O-N 3.09Å; E123-R150 VanDerWaalsContact CD-NH2 3.34Å; E123-R150 IonicContact OE1-CZ 3.54Å; E123-R150 IonicContact OE1-NE 3.67Å; E123-R150 IonicContact OE1-NH2 3.88Å; E123-R150 PolarHBondContact OE1-NH2 3.21Å; E123-R150 IonicContact OE2-NH2 2.77Å; E123-R150 PolarHBondContact OE2-NH2 3.31Å
124	Y	85.1	Confident	76.7	Confident	31 Å²	31	63.4 Å²	63.4	12%	0.122	34%	0.343	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-91.1	132.1	176.3	-69.6	-100.3	0	0	0	109.1	F79 F80 L82 L90 T109	F79-Y124 CarbonylContact C-O 3.57Å; F79-Y124 WeakPolarHBondContact CA-O 3.29Å; F80-Y124 HydrophobicContact CD2-CD2 4.4Å; F80-Y124 HydrophobicContact CD2-CG 4.4Å; F80-Y124 HydrophobicContact CE2-CD2 4.07Å; F80-Y124 AromaticContact CE2-CG 3.81Å; F80-Y124 HydrophobicContact CE2-CG 3.81Å; F80-Y124 HydrophobicContact CZ-CG 4.1Å; F80-Y124 PolarHBondContact N-O 3.37Å; F80-Y124 PolarHBondContact O-N 3.31Å; L82-Y124 HydrophobicContact CD1-CD2 4.21Å; L82-Y124 HydrophobicContact CD1-CE2 3.34Å; L82-Y124 WeakPolarHBondContact CD1-OH 3.18Å; L82-Y124 HydrophobicContact CG-CD2 3.96Å; L82-Y124 HydrophobicContact CG-CE2 3.54Å; L90-Y124 HydrophobicContact CD1-CD1 4.21Å; L90-Y124 HydrophobicContact CD1-CE1 3.75Å; L90-Y124 HydrophobicContact CD2-CE1 4.46Å; T109-Y124 HydrophobicContact CG2-CD1 3.59Å; T109-Y124 HydrophobicContact CG2-CE1 3.43Å; T109-Y124 VanDerWaalsContact CG2-CE1 3.43Å; T109-Y124 HydrophobicContact CG2-CE2 4.45Å; T109-Y124 HydrophobicContact CG2-CG 4.19Å
125	F	85.8	Confident	77.7	Confident	2 Å²	2	56 Å²	56	1%	0.009	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	126.7	166.2	176.2	-116	0	0	0	108.8	N77 L78 F79 H106 L107 E108	N77-F125 HydrophobicContact CB-CE2 3.84Å; N77-F125 HydrophobicContact CB-CZ 4.15Å; L78-F125 CarbonylContact O-C 3.58Å; L78-F125 VanDerWaalsContact O-CA 3.26Å; L78-F125 WeakPolarHBondContact O-CA 3.5Å; L78-F125 WeakPolarHBondContact O-CD2 3.41Å; F79-F125 HydrophobicContact CD1-CB 3.95Å; F79-F125 AromaticContact CD1-CD2 3.93Å; F79-F125 HydrophobicContact CD1-CD2 3.93Å; F79-F125 HydrophobicContact CD1-CG 4.37Å; F79-F125 AromaticContact CD2-CD2 3.84Å; F79-F125 HydrophobicContact CD2-CD2 3.84Å; F79-F125 HydrophobicContact CD2-CE2 4.25Å; F79-F125 HydrophobicContact CE1-CB 3.58Å; F79-F125 AromaticContact CE1-CD2 3.46Å; F79-F125 HydrophobicContact CE1-CD2 3.46Å; F79-F125 VanDerWaalsContact CE1-CD2 3.46Å; F79-F125 HydrophobicContact CE1-CE2 4.37Å; F79-F125 AromaticContact CE1-CG 3.77Å; F79-F125 HydrophobicContact CE1-CG 3.77Å; F79-F125 AromaticContact CE2-CD2 3.33Å; F79-F125 HydrophobicContact CE2-CD2 3.33Å; F79-F125 AromaticContact CE2-CE2 3.52Å; F79-F125 HydrophobicContact CE2-CE2 3.52Å; F79-F125 HydrophobicContact CE2-CG 4.38Å; F79-F125 HydrophobicContact CG-CD2 4.11Å; F79-F125 HydrophobicContact CZ-CB 4.13Å; F79-F125 AromaticContact CZ-CD2 3.13Å; F79-F125 HydrophobicContact CZ-CD2 3.13Å; F79-F125 AromaticContact CZ-CE2 3.6Å; F79-F125 HydrophobicContact CZ-CE2 3.6Å; F79-F125 AromaticContact CZ-CG 3.77Å; F79-F125 HydrophobicContact CZ-CG 3.77Å; H106-F125 AromaticContact CD2-CD1 3.75Å; H106-F125 AromaticContact CD2-CE1 3.73Å; L107-F125 WeakPolarHBondContact CA-O 3.5Å; E108-F125 HydrophobicContact CG-CB 3.68Å; E108-F125 HydrophobicContact CG-CD1 3.77Å; E108-F125 HydrophobicContact CG-CG 4.21Å; E108-F125 PolarHBondContact N-O 3.23Å; E108-F125 PolarHBondContact O-N 3.4Å; E108-F125 WeakPolarHBondContact OE1-CD1 3.18Å
126	V	87.9	Confident	79	Confident	0 Å²	0	57 Å²	57	0%	0	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	123.5	177.7	-176.8	0	0	0	0	109.1	L78 F80 F97 I104 H106 L107 C128	L78-V126 PolarHBondContact N-O 3.4Å; L78-V126 PolarHBondContact O-N 3.36Å; F80-V126 HydrophobicContact CE1-CB 4.36Å; F80-V126 HydrophobicContact CE1-CG2 3.62Å; F80-V126 HydrophobicContact CZ-CG2 4.07Å; F97-V126 HydrophobicContact CE1-CB 4.34Å; F97-V126 HydrophobicContact CE1-CG1 3.63Å; F97-V126 HydrophobicContact CZ-CB 4.16Å; F97-V126 HydrophobicContact CZ-CG1 3.88Å; F97-V126 HydrophobicContact CZ-CG2 4.23Å; I104-V126 HydrophobicContact CG1-CG1 4.28Å; I104-V126 HydrophobicContact CG2-CG1 3.96Å; H106-V126 CarbonylContact O-C 3.59Å; H106-V126 WeakPolarHBondContact O-CA 3.44Å; L107-V126 HydrophobicContact CD1-CG2 3.95Å; L107-V126 HydrophobicContact CG-CG2 4.09Å; V126-C128 HydrophobicContact CG1-CB 4.15Å
127	R	87.1	Confident	80.3	Confident	62 Å²	62	51.6 Å²	51.6	23%	0.234	29%	0.294	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.8	120.1	164.3	-173.1	177.5	-177.1	156	12.6	108.2	M75 L76 N77 H105 H106 D155	M75-R127 HydrophobicContact SD-CG 3.87Å; L76-R127 CarbonylContact O-C 3.59Å; L76-R127 VanDerWaalsContact O-CA 3.25Å; L76-R127 WeakPolarHBondContact O-CA 3.38Å; N77-R127 WeakPolarHBondContact OD1-CG 3.39Å; H105-R127 HydrophobicContact CB-CB 4.43Å; H105-R127 HydrophobicContact CB-CG 4.21Å; H105-R127 PolarHBondContact N-O 3.32Å; H106-R127 HydrophobicContact CB-CB 3.87Å; H106-R127 PolarHBondContact N-O 3.36Å; H106-R127 VanDerWaalsContact N-O 3.12Å; H106-R127 PolarHBondContact O-N 2.99Å; R127-D155 IonicContact CZ-OD2 3.29Å; R127-D155 IonicContact NH1-OD2 3.32Å; R127-D155 PolarHBondContact NH1-OD2 3.36Å; R127-D155 IonicContact NH2-OD2 3.84Å
128	C	89.1	Confident	82.3	Confident	0 Å²	0	42 Å²	42	0%	0	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-143.6	155.2	-178.7	64.5	0	0	0	0	112.4	L76 F97 K103 I104 V126	L76-C128 PolarHBondContact N-O 2.75Å; L76-C128 PolarHBondContact O-N 3.21Å; F97-C128 HydrophobicContact CD1-CB 4.32Å; F97-C128 HydrophobicContact CE1-CB 4.15Å; K103-C128 CarbonylContact O-C 3.52Å; K103-C128 VanDerWaalsContact O-CA 3.22Å; K103-C128 WeakPolarHBondContact O-CA 3.43Å; I104-C128 HydrophobicContact CG1-CB 4.34Å; V126-C128 HydrophobicContact CG1-CB 4.15Å
129	E	91.7	Very high	83.9	Confident	40 Å²	40	37.9 Å²	37.9	19%	0.187	21%	0.206	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-107.8	131.2	173.3	-177.4	-168.9	-120.4	0	0	109.6	R73 A74 M75 A102 K103	R73-E129 HydrophobicContact CB-CG 3.72Å; R73-E129 WeakPolarHBondContact CD-OE1 3.26Å; R73-E129 WeakPolarHBondContact CD-OE2 3.27Å; R73-E129 HydrophobicContact CG-CG 4.35Å; R73-E129 IonicContact CZ-OE2 3.88Å; R73-E129 IonicContact NE-OE2 3.93Å; R73-E129 IonicContact NH1-OE2 3.57Å; R73-E129 PolarHBondContact NH1-OE2 2.65Å; A74-E129 WeakPolarHBondContact O-CA 3.42Å; M75-E129 HydrophobicContact CE-CB 3.92Å; M75-E129 HydrophobicContact CE-CG 4.36Å; M75-E129 HydrophobicContact SD-CB 4.42Å; A102-E129 CarbonylContact C-O 3.6Å; A102-E129 VanDerWaalsContact CA-O 3.3Å; A102-E129 WeakPolarHBondContact CA-O 3.49Å; K103-E129 HydrophobicContact CB-CB 4.28Å; K103-E129 PolarHBondContact N-O 2.74Å; K103-E129 PolarHBondContact O-N 3.34Å
130	V	92.3	Very high	85.4	Confident	1 Å²	1	35.9 Å²	35.9	1%	0.006	20%	0.195	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131	158.8	175.2	-68.5	0	0	0	0	110.4	R73 A74 L76 A102 L135 F138	R73-V130 CarbonylContact C-O 3.49Å; R73-V130 WeakPolarHBondContact CA-O 3.46Å; A74-V130 HydrophobicContact CB-CG2 4.27Å; A74-V130 PolarHBondContact N-O 3.34Å; A74-V130 PolarHBondContact O-N 2.81Å; L76-V130 HydrophobicContact CD1-CG2 3.54Å; A102-V130 HydrophobicContact CB-CG1 3.47Å; A102-V130 VanDerWaalsContact CB-CG1 3.47Å; V130-L135 HydrophobicContact CG2-CD1 4.18Å; V130-F138 HydrophobicContact CG1-CD1 3.87Å; V130-F138 HydrophobicContact CG1-CD2 4.29Å; V130-F138 HydrophobicContact CG1-CE1 3.87Å; V130-F138 HydrophobicContact CG1-CE2 4.32Å; V130-F138 HydrophobicContact CG1-CG 4.06Å; V130-F138 HydrophobicContact CG1-CZ 4.11Å; V130-F138 HydrophobicContact CG2-CD1 4.2Å
131	H	90.9	Very high	86.7	Confident	94 Å²	94	30.5 Å²	30.5	44%	0.435	16%	0.162	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-65.8	135.7	174.2	-164.7	-94.6	0	0	0	110.6	S133 D134 L135	H131-S133 PolarHBondContact ND1-N 2.83Å; H131-S133 PolarHBondContact ND1-OG 3.14Å; H131-S133 PolarHBondContact O-N 2.93Å; H131-S133 VanDerWaalsContact O-N 3.13Å; H131-D134 PolarHBondContact O-N 2.81Å; H131-L135 PolarHBondContact O-N 3.28Å
132	S	87.2	Confident	87.6	Confident	28 Å²	28	28.5 Å²	28.5	20%	0.196	15%	0.153	C	C	.	.	G	3₁₀ helix	trans	-58.4	-32.1	-173.4	-65.4	0	0	0	0	113.3	E69 G72 D134 L135	E69-S132 VanDerWaalsContact OE1-CB 3.26Å; E69-S132 WeakPolarHBondContact OE1-CB 3.32Å; E69-S132 PolarHBondContact OE1-OG 2.82Å; G72-S132 VanDerWaalsContact C-OG 3.25Å; G72-S132 PolarHBondContact O-N 3.01Å; G72-S132 PolarHBondContact O-OG 2.76Å; S132-D134 PolarHBondContact O-N 2.97Å; S132-L135 WeakPolarHBondContact O-CB 3Å
133	S	88.2	Confident	88.1	Confident	83 Å²	83	28.4 Å²	28.4	58%	0.58	15%	0.15	S	C	*	.	G	3₁₀ helix	trans	-64.5	-28	176.6	64.5	0	0	0	0	113.7	H131	H131-S133 PolarHBondContact ND1-N 2.83Å; H131-S133 PolarHBondContact ND1-OG 3.14Å; H131-S133 PolarHBondContact O-N 2.93Å; H131-S133 VanDerWaalsContact O-N 3.13Å
134	D	89.1	Confident	88.2	Confident	30 Å²	30	34 Å²	34	16%	0.16	17%	0.171	C	C	.	.	G	3₁₀ helix	trans	-98.5	-5.9	-170.1	-67.5	2.9	0	0	0	111.6	R49 F100 H131 S132 N136 T137 F138	R49-D134 IonicContact CZ-OD2 3.82Å; R49-D134 IonicContact NE-OD2 2.66Å; R49-D134 IonicContact NH1-OD2 3.79Å; R49-D134 PolarHBondContact NH1-OD2 2.98Å; F100-D134 HydrophobicContact CD1-CB 3.88Å; F100-D134 HydrophobicContact CE1-CB 4.25Å; H131-D134 PolarHBondContact O-N 2.81Å; S132-D134 PolarHBondContact O-N 2.97Å; D134-N136 PolarHBondContact O-N 2.85Å; D134-T137 PolarHBondContact O-N 3.23Å; D134-F138 VanDerWaalsContact O-CB 3.27Å; D134-F138 WeakPolarHBondContact O-CB 3.46Å; D134-F138 PolarHBondContact O-N 2.98Å
135	L	86.6	Confident	88.2	Confident	7 Å²	7	33.4 Å²	33.4	4%	0.037	17%	0.171	C	C	.	.	H	α-helix	trans	-51.9	-54.6	-171.6	173.1	61.3	0	0	0	113.7	I65 F67 A74 L76 V130 H131 S132 T137 F138 I139	I65-L135 HydrophobicContact CG2-CD1 4.1Å; I65-L135 HydrophobicContact CG2-CD2 4.27Å; I65-L135 HydrophobicContact CG2-CG 4.34Å; F67-L135 HydrophobicContact CD1-CD2 3.47Å; F67-L135 VanDerWaalsContact CD1-CD2 3.47Å; F67-L135 HydrophobicContact CD2-CD2 4.04Å; F67-L135 HydrophobicContact CE1-CD2 3.4Å; F67-L135 VanDerWaalsContact CE1-CD2 3.4Å; F67-L135 HydrophobicContact CE2-CD2 3.96Å; F67-L135 HydrophobicContact CG-CD2 3.8Å; F67-L135 HydrophobicContact CZ-CD2 3.65Å; A74-L135 HydrophobicContact CB-CD1 4.32Å; A74-L135 HydrophobicContact CB-CD2 4.24Å; L76-L135 HydrophobicContact CD1-CD1 3.52Å; L76-L135 HydrophobicContact CD2-CD1 3.61Å; L76-L135 HydrophobicContact CG-CD1 3.96Å; V130-L135 HydrophobicContact CG2-CD1 4.18Å; H131-L135 PolarHBondContact O-N 3.28Å; S132-L135 WeakPolarHBondContact O-CB 3Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.45Å; L135-F138 PolarHBondContact O-N 2.85Å; L135-I139 HydrophobicContact CD1-CG1 4.22Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 2.77Å
136	N	86.7	Confident	88.1	Confident	97 Å²	97	33.4 Å²	33.4	52%	0.519	17%	0.171	S	C	.	.	H	α-helix	trans	-64.3	-40.8	-176.8	-70.8	-41.9	0	0	0	111.5	I65 D134 S140	I65-N136 VanDerWaalsContact CD1-OD1 3.31Å; I65-N136 WeakPolarHBondContact CD1-OD1 3.39Å; D134-N136 PolarHBondContact O-N 2.85Å; N136-S140 VanDerWaalsContact O-CB 3.31Å; N136-S140 WeakPolarHBondContact O-CB 3.39Å; N136-S140 PolarHBondContact O-N 2.9Å; N136-S140 PolarHBondContact O-OG 2.99Å
137	T	88.8	Confident	87.5	Confident	18 Å²	18	36.7 Å²	36.7	11%	0.11	19%	0.186	C	C	.	.	H	α-helix	trans	-68.5	-38.6	179.4	-47	0	0	0	0	111.5	A52 A53 F100 D134 L135 S140 S141	A52-T137 VanDerWaalsContact C-CG2 3.43Å; A52-T137 HydrophobicContact CB-CG2 3.44Å; A52-T137 VanDerWaalsContact CB-CG2 3.44Å; A53-T137 HydrophobicContact CB-CG2 4.04Å; A53-T137 VanDerWaalsContact N-CG2 3.26Å; F100-T137 HydrophobicContact CE1-CG2 3.97Å; F100-T137 HydrophobicContact CZ-CG2 3.78Å; D134-T137 PolarHBondContact O-N 3.23Å; L135-T137 VanDerWaalsContact C-N 3.32Å; L135-T137 PolarHBondContact O-N 3.45Å; T137-S140 PolarHBondContact O-N 2.95Å; T137-S141 WeakPolarHBondContact O-CB 3.45Å; T137-S141 PolarHBondContact O-N 3.39Å; T137-S141 PolarHBondContact O-OG 3.18Å
138	F	90.3	Very high	86.9	Confident	0 Å²	0	37.7 Å²	37.7	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-63.1	-52.1	175.3	168.6	-110.6	0	0	0	111.4	L76 L78 V96 F97 F100 A102 V130 D134 L135 S140 S141 I142	L76-F138 HydrophobicContact CD1-CD1 3.86Å; L76-F138 HydrophobicContact CD1-CE1 3.68Å; L78-F138 HydrophobicContact CD1-CE1 3.71Å; L78-F138 HydrophobicContact CD1-CZ 3.99Å; V96-F138 HydrophobicContact CG1-CD2 3.98Å; V96-F138 HydrophobicContact CG1-CE2 4.09Å; F97-F138 AromaticContact CD1-CE2 3.93Å; F97-F138 HydrophobicContact CD1-CE2 3.93Å; F97-F138 AromaticContact CD1-CZ 3.67Å; F97-F138 HydrophobicContact CD1-CZ 3.67Å; F97-F138 HydrophobicContact CE1-CE2 4.19Å; F97-F138 AromaticContact CE1-CZ 3.55Å; F97-F138 HydrophobicContact CE1-CZ 3.55Å; F97-F138 HydrophobicContact CG-CE2 4.27Å; F97-F138 HydrophobicContact CG-CZ 4.41Å; F97-F138 HydrophobicContact CZ-CZ 4.18Å; F100-F138 HydrophobicContact CB-CB 4.5Å; F100-F138 HydrophobicContact CB-CD2 3.77Å; F100-F138 HydrophobicContact CB-CE2 4.48Å; F100-F138 HydrophobicContact CB-CG 4.46Å; F100-F138 HydrophobicContact CD1-CB 3.94Å; F100-F138 HydrophobicContact CD2-CB 4.22Å; F100-F138 AromaticContact CD2-CD2 3.69Å; F100-F138 HydrophobicContact CD2-CD2 3.69Å; F100-F138 HydrophobicContact CD2-CG 4.45Å; F100-F138 HydrophobicContact CE1-CB 4.18Å; F100-F138 HydrophobicContact CE2-CB 4.49Å; F100-F138 HydrophobicContact CE2-CD2 4.47Å; F100-F138 HydrophobicContact CG-CB 3.95Å; F100-F138 AromaticContact CG-CD2 3.74Å; F100-F138 HydrophobicContact CG-CD2 3.74Å; F100-F138 HydrophobicContact CG-CG 4.29Å; F100-F138 HydrophobicContact CZ-CB 4.46Å; A102-F138 HydrophobicContact CB-CE2 4.26Å; A102-F138 HydrophobicContact CB-CZ 4.43Å; V130-F138 HydrophobicContact CG1-CD1 3.87Å; V130-F138 HydrophobicContact CG1-CD2 4.29Å; V130-F138 HydrophobicContact CG1-CE1 3.87Å; V130-F138 HydrophobicContact CG1-CE2 4.32Å; V130-F138 HydrophobicContact CG1-CG 4.06Å; V130-F138 HydrophobicContact CG1-CZ 4.11Å; V130-F138 HydrophobicContact CG2-CD1 4.2Å; D134-F138 VanDerWaalsContact O-CB 3.27Å; D134-F138 WeakPolarHBondContact O-CB 3.46Å; D134-F138 PolarHBondContact O-N 2.98Å; L135-F138 PolarHBondContact O-N 2.85Å; F138-S140 VanDerWaalsContact C-N 3.29Å; F138-S140 PolarHBondContact O-N 3.13Å; F138-S141 WeakPolarHBondContact O-CB 3.41Å; F138-S141 PolarHBondContact O-N 2.97Å; F138-S141 VanDerWaalsContact O-N 3.09Å; F138-I142 HydrophobicContact CD2-CG1 4.35Å; F138-I142 HydrophobicContact CE2-CD1 4.14Å; F138-I142 HydrophobicContact CE2-CG1 3.92Å; F138-I142 HydrophobicContact CZ-CD1 4.4Å; F138-I142 HydrophobicContact CZ-CG1 4.04Å; F138-I142 WeakPolarHBondContact O-CG1 3.35Å; F138-I142 PolarHBondContact O-N 2.68Å
139	I	88.4	Confident	86.6	Confident	3 Å²	3	38.3 Å²	38.3	2%	0.015	20%	0.197	C	C	.	.	H	α-helix	trans	-59	-42.7	177	-66.4	-63.3	0	0	0	111.1	I65 L76 L78 L135 S141 I142 K143 T151	I65-I139 HydrophobicContact CD1-CB 4.08Å; I65-I139 HydrophobicContact CD1-CG1 4.01Å; I65-I139 HydrophobicContact CD1-CG2 4.08Å; I65-I139 HydrophobicContact CG1-CG1 4.41Å; I65-I139 HydrophobicContact CG1-CG2 4.32Å; I65-I139 HydrophobicContact CG2-CG1 4.17Å; L76-I139 HydrophobicContact CD1-CD1 4.34Å; L78-I139 HydrophobicContact CD1-CD1 4.43Å; L78-I139 HydrophobicContact CD2-CD1 3.47Å; L78-I139 VanDerWaalsContact CD2-CD1 3.47Å; L135-I139 HydrophobicContact CD1-CG1 4.22Å; L135-I139 WeakPolarHBondContact O-CG1 3.38Å; L135-I139 PolarHBondContact O-N 2.77Å; I139-S141 VanDerWaalsContact C-N 3.3Å; I139-S141 PolarHBondContact O-N 2.77Å; I139-I142 PolarHBondContact O-N 3.24Å; I139-K143 HydrophobicContact CG2-CD 4.17Å; I139-K143 HydrophobicContact CG2-CG 4.47Å; I139-K143 WeakPolarHBondContact O-CB 3.29Å; I139-K143 WeakPolarHBondContact O-CG 3.33Å; I139-K143 PolarHBondContact O-N 3.45Å; I139-T151 HydrophobicContact CD1-CG2 4.01Å
140	S	88.1	Confident	86.2	Confident	27 Å²	27	41 Å²	41	19%	0.189	21%	0.206	C	C	.	.	H	α-helix	trans	-64.4	-35.8	177.8	-61.7	0	0	0	0	112.4	T56 N136 T137 F138 R144	T56-S140 VanDerWaalsContact CG2-OG 3.23Å; T56-S140 WeakPolarHBondContact CG2-OG 3.26Å; T56-S140 WeakPolarHBondContact OG1-CB 3.35Å; N136-S140 VanDerWaalsContact O-CB 3.31Å; N136-S140 WeakPolarHBondContact O-CB 3.39Å; N136-S140 PolarHBondContact O-N 2.9Å; N136-S140 PolarHBondContact O-OG 2.99Å; T137-S140 PolarHBondContact O-N 2.95Å; F138-S140 VanDerWaalsContact C-N 3.29Å; F138-S140 PolarHBondContact O-N 3.13Å; S140-R144 WeakPolarHBondContact O-CG 3.44Å; S140-R144 PolarHBondContact O-N 3.48Å
141	S	88.8	Confident	85.7	Confident	13 Å²	13	42.3 Å²	42.3	9%	0.091	21%	0.214	C	C	.	.	H	α-helix	trans	-69.2	-41.1	175.5	-61.2	0	0	0	0	112	F100 T137 F138 I139 R144	F100-S141 WeakPolarHBondContact CE2-OG 3.25Å; T137-S141 WeakPolarHBondContact O-CB 3.45Å; T137-S141 PolarHBondContact O-N 3.39Å; T137-S141 PolarHBondContact O-OG 3.18Å; F138-S141 WeakPolarHBondContact O-CB 3.41Å; F138-S141 PolarHBondContact O-N 2.97Å; F138-S141 VanDerWaalsContact O-N 3.09Å; I139-S141 VanDerWaalsContact C-N 3.3Å; I139-S141 PolarHBondContact O-N 2.77Å; S141-R144 WeakPolarHBondContact O-CB 3.3Å; S141-R144 PolarHBondContact O-N 3.38Å
142	I	88.4	Confident	84.9	Confident	0 Å²	0	39.6 Å²	39.6	0%	0	20%	0.204	C	C	.	.	H	α-helix	trans	-61.4	-49.8	173.1	-66.1	-68.4	0	0	0	110.1	F80 V96 F97 F138 I139 R144 V145 T146 V149	F80-I142 HydrophobicContact CD1-CG2 4.49Å; V96-I142 HydrophobicContact CB-CD1 3.68Å; V96-I142 HydrophobicContact CB-CG1 4.46Å; V96-I142 HydrophobicContact CG1-CD1 3.54Å; V96-I142 HydrophobicContact CG1-CG1 3.79Å; V96-I142 HydrophobicContact CG2-CD1 4.41Å; F97-I142 HydrophobicContact CD2-CD1 3.98Å; F97-I142 HydrophobicContact CE2-CD1 3.51Å; F97-I142 HydrophobicContact CZ-CD1 3.94Å; F138-I142 HydrophobicContact CD2-CG1 4.35Å; F138-I142 HydrophobicContact CE2-CD1 4.14Å; F138-I142 HydrophobicContact CE2-CG1 3.92Å; F138-I142 HydrophobicContact CZ-CD1 4.4Å; F138-I142 HydrophobicContact CZ-CG1 4.04Å; F138-I142 WeakPolarHBondContact O-CG1 3.35Å; F138-I142 PolarHBondContact O-N 2.68Å; I139-I142 PolarHBondContact O-N 3.24Å; I142-R144 PolarHBondContact O-N 2.98Å; I142-V145 VanDerWaalsContact O-CG2 3.29Å; I142-V145 WeakPolarHBondContact O-CG2 3.5Å; I142-V145 PolarHBondContact O-N 3.47Å; I142-T146 HydrophobicContact CG2-CG2 3.98Å; I142-T146 PolarHBondContact O-N 3.31Å; I142-T146 PolarHBondContact O-OG1 3.08Å; I142-V149 HydrophobicContact CG2-CG1 4.3Å; I142-V149 HydrophobicContact CG2-CG2 3.75Å
143	K	86.9	Confident	83.8	Confident	59 Å²	59	46.4 Å²	46.4	26%	0.257	23%	0.23	S	C	.	.	H	α-helix	trans	-54.9	-25.8	177.4	-77.4	179.5	172.1	-169.6	0	114.1	E63 I139 V149	E63-K143 IonicContact OE2-NZ 2.7Å; E63-K143 PolarHBondContact OE2-NZ 3.01Å; I139-K143 HydrophobicContact CG2-CD 4.17Å; I139-K143 HydrophobicContact CG2-CG 4.47Å; I139-K143 WeakPolarHBondContact O-CB 3.29Å; I139-K143 WeakPolarHBondContact O-CG 3.33Å; I139-K143 PolarHBondContact O-N 3.45Å; K143-V149 HydrophobicContact CB-CG2 4.18Å; K143-V149 HydrophobicContact CG-CB 3.64Å; K143-V149 HydrophobicContact CG-CG1 4.34Å; K143-V149 HydrophobicContact CG-CG2 3.46Å; K143-V149 VanDerWaalsContact CG-CG2 3.46Å
144	R	85.1	Confident	82.1	Confident	119 Å²	119	46.6 Å²	46.6	45%	0.449	22%	0.222	S	C	.	.	H	α-helix	trans	-72.8	-36.3	176.2	-73.1	169	-175.4	-153.1	-5.4	112.4	A55 K83 S140 S141 I142	A55-R144 VanDerWaalsContact C-NH2 3.31Å; A55-R144 PolarHBondContact O-NH2 2.7Å; K83-R144 PolarHBondContact NZ-O 2.85Å; S140-R144 WeakPolarHBondContact O-CG 3.44Å; S140-R144 PolarHBondContact O-N 3.48Å; S141-R144 WeakPolarHBondContact O-CB 3.3Å; S141-R144 PolarHBondContact O-N 3.38Å; I142-R144 PolarHBondContact O-N 2.98Å
145	V	84.2	Confident	80.5	Confident	18 Å²	18	48.2 Å²	48.2	11%	0.109	23%	0.23	C	C	.	.	H	α-helix	trans	-96.9	-11.6	-174.8	-59.1	0	0	0	0	113.3	R92 A93 V96 I142	R92-V145 HydrophobicContact CB-CB 4.41Å; R92-V145 HydrophobicContact CB-CG1 4.37Å; A93-V145 HydrophobicContact CB-CG2 4.36Å; V96-V145 HydrophobicContact CG2-CG2 4.02Å; I142-V145 VanDerWaalsContact O-CG2 3.29Å; I142-V145 WeakPolarHBondContact O-CG2 3.5Å; I142-V145 PolarHBondContact O-N 3.47Å
146	T	83.6	Confident	79.3	Confident	2 Å²	2	54.1 Å²	54.1	1%	0.012	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-123.5	162.5	-179.6	66.4	0	0	0	0	112.2	F80 T81 L82 K83 A93 I142 V149	F80-T146 HydrophobicContact CB-CG2 4.1Å; F80-T146 HydrophobicContact CD2-CG2 3.42Å; F80-T146 VanDerWaalsContact CD2-CG2 3.42Å; F80-T146 HydrophobicContact CE2-CG2 4.04Å; F80-T146 HydrophobicContact CG-CG2 3.89Å; T81-T146 CarbonylContact O-C 3.58Å; T81-T146 WeakPolarHBondContact O-CA 3.5Å; T81-T146 VanDerWaalsContact O-CB 3.23Å; T81-T146 WeakPolarHBondContact O-CB 3.31Å; L82-T146 HydrophobicContact CD2-CG2 4.49Å; K83-T146 VanDerWaalsContact CE-C 3.41Å; K83-T146 WeakPolarHBondContact CE-O 3.46Å; A93-T146 HydrophobicContact CB-CG2 4.48Å; I142-T146 HydrophobicContact CG2-CG2 3.98Å; I142-T146 PolarHBondContact O-N 3.31Å; I142-T146 PolarHBondContact O-OG1 3.08Å; T146-V149 WeakPolarHBondContact OG1-CG2 3.49Å
147	E	75.2	Confident	78.6	Confident	69 Å²	69	52.1 Å²	52.1	32%	0.322	24%	0.242	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-97	-30.6	-169.8	-119.8	155.6	-127.3	0	0	114.4	T81 K83 R116	T81-E147 PolarHBondContact O-N 2.86Å; K83-E147 VanDerWaalsContact CA-OE1 3.32Å; K83-E147 WeakPolarHBondContact CA-OE1 3.41Å; K83-E147 HydrophobicContact CB-CG 4.45Å; K83-E147 WeakPolarHBondContact CB-OE1 3.26Å; K83-E147 HydrophobicContact CD-CG 4.1Å; K83-E147 HydrophobicContact CG-CB 3.97Å; K83-E147 HydrophobicContact CG-CG 3.68Å; K83-E147 VanDerWaalsContact CG-OE1 3.26Å; K83-E147 WeakPolarHBondContact CG-OE1 3.33Å; R116-E147 IonicContact CZ-OE2 3.19Å; R116-E147 IonicContact NH1-OE2 2.83Å; R116-E147 PolarHBondContact NH1-OE2 3.35Å; R116-E147 IonicContact NH2-OE2 2.69Å; R116-E147 PolarHBondContact NH2-OE2 2.95Å
148	E	75.3	Confident	78.3	Confident	84 Å²	84	51.8 Å²	51.8	39%	0.393	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	112.3	174.8	-63.8	-170.8	161.7	0	0	109.4	F80 T81	F80-E148 WeakPolarHBondContact CA-O 3.45Å; T81-E148 PolarHBondContact N-O 3.47Å; T81-E148 PolarHBondContact OG1-N 3.44Å
149	V	82.9	Confident	78	Confident	12 Å²	12	54 Å²	54	7%	0.073	25%	0.248	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.8	125	177	-176.2	0	0	0	0	109.8	F79 F80 I142 K143 T146	F79-V149 CarbonylContact O-C 3.05Å; F79-V149 WeakPolarHBondContact O-CA 3.37Å; F80-V149 HydrophobicContact CB-CG2 4.23Å; I142-V149 HydrophobicContact CG2-CG1 4.3Å; I142-V149 HydrophobicContact CG2-CG2 3.75Å; K143-V149 HydrophobicContact CB-CG2 4.18Å; K143-V149 HydrophobicContact CG-CB 3.64Å; K143-V149 HydrophobicContact CG-CG1 4.34Å; K143-V149 HydrophobicContact CG-CG2 3.46Å; K143-V149 VanDerWaalsContact CG-CG2 3.46Å; T146-V149 WeakPolarHBondContact OG1-CG2 3.49Å
150	R	83.6	Confident	78.2	Confident	96 Å²	96	54.2 Å²	54.2	36%	0.362	25%	0.249	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-128.7	135.7	178.3	-60.3	-176.7	-75.1	149	-6	110.4	L78 F79 E123	L78-R150 WeakPolarHBondContact CA-O 3.42Å; F79-R150 HydrophobicContact CB-CB 4.29Å; F79-R150 PolarHBondContact N-O 2.66Å; F79-R150 PolarHBondContact O-N 2.73Å; E123-R150 VanDerWaalsContact CD-NH2 3.34Å; E123-R150 IonicContact OE1-CZ 3.54Å; E123-R150 IonicContact OE1-NE 3.67Å; E123-R150 IonicContact OE1-NH2 3.88Å; E123-R150 PolarHBondContact OE1-NH2 3.21Å; E123-R150 IonicContact OE2-NH2 2.77Å; E123-R150 PolarHBondContact OE2-NH2 3.31Å
151	T	80.6	Confident	78.3	Confident	29 Å²	29	53 Å²	53	18%	0.178	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.6	138.5	173.9	57.3	0	0	0	0	110	I65 V66 L76 N77 L78 I139	I65-T151 HydrophobicContact CG2-CG2 4.06Å; V66-T151 PolarHBondContact N-OG1 2.93Å; L76-T151 HydrophobicContact CD2-CG2 4.47Å; N77-T151 WeakPolarHBondContact O-CA 3.15Å; L78-T151 HydrophobicContact CD2-CG2 3.43Å; L78-T151 VanDerWaalsContact CD2-CG2 3.43Å; I139-T151 HydrophobicContact CD1-CG2 4.01Å
152	T	74.6	Confident	78.4	Confident	38 Å²	38	57.5 Å²	57.5	23%	0.233	26%	0.256	C	S	.	.			trans	-134.4	155.3	-178.9	-173.5	0	0	0	0	113.4	N77 F79 E154	N77-T152 HydrophobicContact CB-CG2 3.96Å; N77-T152 WeakPolarHBondContact CB-O 3.24Å; N77-T152 PolarHBondContact O-N 3.1Å; N77-T152 VanDerWaalsContact O-N 3.14Å; F79-T152 HydrophobicContact CD2-CG2 4.14Å; F79-T152 HydrophobicContact CE2-CG2 3.66Å; T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 HydrophobicContact CG2-CB 4.27Å; T152-E154 PolarHBondContact OG1-N 3.28Å
153	K	64.6	Low	78.5	Confident	171 Å²	171	63.4 Å²	63.4	74%	0.743	28%	0.281	S	S	*	.	S	Bend	trans	-80.3	-16.7	165.5	-67.9	-161.4	177.4	-178.6	0	112	V66 D155	V66-K153 HydrophobicContact CG1-CB 4.08Å; V66-K153 HydrophobicContact CG1-CD 4.29Å; V66-K153 HydrophobicContact CG1-CG 3.16Å; K153-D155 PolarHBondContact O-N 2.94Å
154	E	52.3	Low	78.9	Confident	86 Å²	86	61.1 Å²	61.1	40%	0.402	27%	0.272	S	S	.	.			trans	-72.5	102.9	-173.9	-78.6	-168.7	152.5	0	0	111.4	T152 K156	T152-E154 VanDerWaalsContact C-N 3.32Å; T152-E154 HydrophobicContact CG2-CB 4.27Å; T152-E154 PolarHBondContact OG1-N 3.28Å; E154-K156 WeakPolarHBondContact OE1-CE 3.1Å; E154-K156 IonicContact OE1-NZ 3.76Å; E154-K156 PolarHBondContact OE1-NZ 3.34Å; E154-K156 IonicContact OE2-NZ 3.36Å
155	D	55.8	Low	79.3	Confident	64 Å²	64	58.1 Å²	58.1	34%	0.342	27%	0.269	S	S	.	.			trans	-89.9	100.8	133.2	-106.6	-32.2	0	0	0	107.3	R127 K153	R127-D155 IonicContact CZ-OD2 3.29Å; R127-D155 IonicContact NH1-OD2 3.32Å; R127-D155 PolarHBondContact NH1-OD2 3.36Å; R127-D155 IonicContact NH2-OD2 3.84Å; K153-D155 PolarHBondContact O-N 2.94Å
156	K	60.9	Low	79.6	Confident	131 Å²	131	59.3 Å²	59.3	57%	0.57	27%	0.273	S	S	*	.	S	Bend	trans	-75.7	-49	160.6	-83.7	174.4	166.8	151.1	0	108.4	E154 P448	E154-K156 WeakPolarHBondContact OE1-CE 3.1Å; E154-K156 IonicContact OE1-NZ 3.76Å; E154-K156 PolarHBondContact OE1-NZ 3.34Å; E154-K156 IonicContact OE2-NZ 3.36Å; K156-P448 WeakPolarHBondContact O-CG 3.38Å
157	F	71.7	Confident	80	Confident	55 Å²	55	59.3 Å²	59.3	24%	0.241	27%	0.273	C	S	.	.			trans	177	163.2	175.5	45.2	-90.8	0	0	0	108.8	F160 P448 F449 L462	F157-F160 HydrophobicContact CD2-CD1 4.14Å; F157-F160 AromaticContact CD2-CE1 3.7Å; F157-F160 HydrophobicContact CD2-CE1 3.7Å; F157-F160 HydrophobicContact CE2-CD1 4.15Å; F157-F160 AromaticContact CE2-CE1 3.49Å; F157-F160 HydrophobicContact CE2-CE1 3.49Å; F157-F160 VanDerWaalsContact CE2-CE1 3.49Å; F157-F160 HydrophobicContact CE2-CZ 4.28Å; F157-F160 HydrophobicContact CZ-CE1 4.5Å; F157-P448 HydrophobicContact CB-CG 4.46Å; F157-P448 HydrophobicContact CD1-CG 4.4Å; F157-F449 HydrophobicContact CB-CE1 3.51Å; F157-F449 HydrophobicContact CB-CZ 3.85Å; F157-F449 AromaticContact CD1-CD1 3.76Å; F157-F449 HydrophobicContact CD1-CD1 3.76Å; F157-F449 AromaticContact CD1-CE1 3.11Å; F157-F449 HydrophobicContact CD1-CE1 3.11Å; F157-F449 AromaticContact CD1-CZ 3.92Å; F157-F449 HydrophobicContact CD1-CZ 3.92Å; F157-F449 AromaticContact CD2-CE1 3.74Å; F157-F449 HydrophobicContact CD2-CE1 3.74Å; F157-F449 AromaticContact CD2-CZ 3.65Å; F157-F449 HydrophobicContact CD2-CZ 3.65Å; F157-F449 HydrophobicContact CE1-CD1 4.04Å; F157-F449 AromaticContact CE1-CE1 3.69Å; F157-F449 HydrophobicContact CE1-CE1 3.69Å; F157-F449 HydrophobicContact CE1-CZ 4.4Å; F157-F449 HydrophobicContact CE2-CE1 4.24Å; F157-F449 HydrophobicContact CE2-CZ 4.16Å; F157-F449 HydrophobicContact CG-CD1 4.24Å; F157-F449 AromaticContact CG-CE1 3.16Å; F157-F449 HydrophobicContact CG-CE1 3.16Å; F157-F449 AromaticContact CG-CZ 3.55Å; F157-F449 HydrophobicContact CG-CZ 3.55Å; F157-F449 HydrophobicContact CZ-CE1 4.23Å; F157-L462 HydrophobicContact CZ-CD1 4.18Å
158	H	83	Confident	80.6	Confident	12 Å²	12	57.8 Å²	57.8	6%	0.056	27%	0.267	C	S	.	.			trans	-62.2	139.8	174.6	-67.7	-173.4	0	0	0	110.7	R291 G351 A352 D354	H158-R291 PolarHBondContact ND1-NH2 3.02Å; H158-G351 WeakPolarHBondContact O-CA 3.41Å; H158-A352 PolarHBondContact ND1-O 3.29Å; H158-D354 IonicContact CE1-OD1 3.69Å; H158-D354 IonicContact CE1-OD2 3.57Å; H158-D354 PolarHBondContact CE1-OD2 2.64Å; H158-D354 IonicContact ND1-OD1 3.54Å
159	W	85.1	Confident	80.9	Confident	45 Å²	45	55.6 Å²	55.6	17%	0.17	26%	0.256	C	S	.	.			trans	-64.4	151.5	-177.6	175.8	89.8	0	0	0	111	E108 R110 P161 K169	E108-W159 WeakPolarHBondContact OE1-CB 3.45Å; E108-W159 VanDerWaalsContact OE2-CB 3.24Å; E108-W159 WeakPolarHBondContact OE2-CB 2.8Å; E108-W159 PolarHBondContact OE2-N 3.32Å; R110-W159 HydrophobicContact CG-CB 4.48Å; R110-W159 HydrophobicContact CG-CG 4.18Å; W159-P161 HydrophobicContact CH2-CB 4.16Å; W159-P161 HydrophobicContact CZ2-CB 4.43Å; W159-K169 HydrophobicContact CH2-CB 4.45Å; W159-K169 HydrophobicContact CZ2-CD 4.47Å
160	F	90.6	Very high	81	Confident	9 Å²	9	55.1 Å²	55.1	4%	0.039	25%	0.253	C	S	.	.			trans	-151.6	152.5	170.6	61.6	-91.3	0	0	0	109.3	F157 R162 L350 F449 V451 I460 L462	F157-F160 HydrophobicContact CD2-CD1 4.14Å; F157-F160 AromaticContact CD2-CE1 3.7Å; F157-F160 HydrophobicContact CD2-CE1 3.7Å; F157-F160 HydrophobicContact CE2-CD1 4.15Å; F157-F160 AromaticContact CE2-CE1 3.49Å; F157-F160 HydrophobicContact CE2-CE1 3.49Å; F157-F160 VanDerWaalsContact CE2-CE1 3.49Å; F157-F160 HydrophobicContact CE2-CZ 4.28Å; F157-F160 HydrophobicContact CZ-CE1 4.5Å; F160-R162 HydrophobicContact CE2-CG 4.17Å; F160-R162 PolarHBondContact O-N 3.1Å; F160-L350 HydrophobicContact CB-CB 4.31Å; F160-L350 HydrophobicContact CB-CD2 3.97Å; F160-L350 HydrophobicContact CD1-CB 4.26Å; F160-L350 HydrophobicContact CD2-CB 3.83Å; F160-L350 HydrophobicContact CD2-CD1 4.04Å; F160-L350 HydrophobicContact CD2-CD2 4.03Å; F160-L350 HydrophobicContact CD2-CG 4.18Å; F160-L350 HydrophobicContact CE2-CB 4.18Å; F160-L350 HydrophobicContact CE2-CD1 4.23Å; F160-L350 HydrophobicContact CG-CB 3.89Å; F160-L350 HydrophobicContact CG-CD2 4.24Å; F160-F449 AromaticContact CE1-CE2 3.84Å; F160-F449 HydrophobicContact CE1-CE2 3.84Å; F160-F449 AromaticContact CE1-CZ 3.81Å; F160-F449 HydrophobicContact CE1-CZ 3.81Å; F160-F449 HydrophobicContact CZ-CE2 4.07Å; F160-F449 HydrophobicContact CZ-CZ 4.45Å; F160-V451 HydrophobicContact CZ-CG1 4.28Å; F160-I460 HydrophobicContact CE2-CB 4.4Å; F160-I460 HydrophobicContact CE2-CG2 3.92Å; F160-L462 HydrophobicContact CZ-CD2 3.78Å
161	P	91.6	Very high	80.8	Confident	2 Å²	2	55.2 Å²	55.2	1%	0.013	26%	0.257	C	S	.	.			trans	-61.9	135	176.3	24.1	-33	0	0	0	110.5	W159 E166 L167 A295 F299	W159-P161 HydrophobicContact CH2-CB 4.16Å; W159-P161 HydrophobicContact CZ2-CB 4.43Å; P161-E166 HydrophobicContact CB-CB 3.75Å; P161-L167 HydrophobicContact CB-CD2 4.21Å; P161-L167 HydrophobicContact CG-CD2 3.73Å; P161-A295 HydrophobicContact CG-CB 4.11Å; P161-F299 HydrophobicContact CB-CE2 4.15Å; P161-F299 HydrophobicContact CB-CZ 4.32Å; P161-F299 HydrophobicContact CG-CE2 3.87Å; P161-F299 HydrophobicContact CG-CZ 4.49Å; P161-F299 VanDerWaalsContact O-CZ 3.23Å; P161-F299 WeakPolarHBondContact O-CZ 3.4Å
162	R	89.7	Confident	80.6	Confident	107 Å²	107	56 Å²	56	40%	0.404	26%	0.259	S	S	.	.	S	Bend	trans	-102.3	-21.3	177.6	-72.7	-164.1	172.2	-161.8	5.8	114	F160 E166 S459 I460	F160-R162 HydrophobicContact CE2-CG 4.17Å; F160-R162 PolarHBondContact O-N 3.1Å; R162-E166 PolarHBondContact N-OE2 3.06Å; R162-S459 CarbonylContact O-C 3.51Å; R162-S459 VanDerWaalsContact O-CA 3.24Å; R162-S459 WeakPolarHBondContact O-CA 3.38Å; R162-S459 WeakPolarHBondContact O-CB 3.39Å; R162-I460 PolarHBondContact O-N 3.23Å
163	K	91.6	Very high	80.8	Confident	124 Å²	124	57.4 Å²	57.4	54%	0.539	27%	0.265	S	S	.	.	B	Isolated β-bridge	trans	-123.2	149.8	172.6	-63.3	-174.4	176.8	-173.7	0	108.7	C165 E166 F299	K163-C165 PolarHBondContact O-N 3.25Å; K163-C165 VanDerWaalsContact O-N 3.15Å; K163-E166 HydrophobicContact CB-CG 4.23Å; K163-E166 VanDerWaalsContact O-CB 3.31Å; K163-E166 WeakPolarHBondContact O-CB 3.22Å; K163-E166 PolarHBondContact O-N 3.2Å; K163-F299 VanDerWaalsContact C-CE1 3.49Å
164	I	95.8	Very high	81.4	Confident	10 Å²	10	52.3 Å²	52.3	5%	0.051	25%	0.248	C	C	.	.	G	3₁₀ helix	trans	-56.4	-33.2	-179.7	-165.3	162.7	0	0	0	113.4	E166 L167 H209 F299 V301 H458	I164-E166 PolarHBondContact O-N 2.79Å; I164-L167 HydrophobicContact CG1-CD1 4.22Å; I164-L167 WeakPolarHBondContact O-CB 3.21Å; I164-L167 VanDerWaalsContact O-CG 3.31Å; I164-L167 WeakPolarHBondContact O-CG 3.37Å; I164-L167 PolarHBondContact O-N 3.01Å; I164-H209 WeakPolarHBondContact CG2-NE2 3.33Å; I164-F299 HydrophobicContact CB-CD1 3.73Å; I164-F299 HydrophobicContact CB-CE1 4.36Å; I164-F299 HydrophobicContact CB-CG 4.37Å; I164-F299 HydrophobicContact CD1-CB 4.12Å; I164-F299 HydrophobicContact CG1-CB 4.02Å; I164-F299 HydrophobicContact CG1-CD1 4.16Å; I164-F299 HydrophobicContact CG1-CG 4.32Å; I164-V301 HydrophobicContact CD1-CG2 3.77Å; I164-V301 HydrophobicContact CG1-CG2 3.92Å; I164-H458 HydrophobicContact CB-CB 3.95Å; I164-H458 HydrophobicContact CD1-CB 4.27Å; I164-H458 HydrophobicContact CG2-CB 3.53Å; I164-H458 PolarHBondContact N-O 3.08Å
165	C	92	Very high	82.5	Confident	57 Å²	57	52.8 Å²	52.8	39%	0.385	26%	0.257	S	S	.	.	G	3₁₀ helix	trans	-67.6	-19.8	176.1	61.4	0	0	0	0	113.5	K163 L167 D168 H209	K163-C165 PolarHBondContact O-N 3.25Å; K163-C165 VanDerWaalsContact O-N 3.15Å; C165-L167 PolarHBondContact O-N 3.5Å; C165-D168 WeakPolarHBondContact O-CB 3.4Å; C165-D168 PolarHBondContact O-N 3.38Å; C165-H209 HydrophobicContact CB-CB 4.23Å
166	E	90.8	Very high	82.9	Confident	43 Å²	43	54.8 Å²	54.8	20%	0.201	26%	0.263	C	S	.	.	G	3₁₀ helix	trans	-74.3	-9.9	176.5	-56.9	-163.8	123.2	0	0	113	P161 R162 K163 I164 D168 K169	P161-E166 HydrophobicContact CB-CB 3.75Å; R162-E166 PolarHBondContact N-OE2 3.06Å; K163-E166 HydrophobicContact CB-CG 4.23Å; K163-E166 VanDerWaalsContact O-CB 3.31Å; K163-E166 WeakPolarHBondContact O-CB 3.22Å; K163-E166 PolarHBondContact O-N 3.2Å; I164-E166 PolarHBondContact O-N 2.79Å; E166-D168 PolarHBondContact O-N 2.92Å; E166-K169 HydrophobicContact CB-CD 4.4Å; E166-K169 VanDerWaalsContact O-CB 3.29Å; E166-K169 WeakPolarHBondContact O-CB 3.42Å; E166-K169 PolarHBondContact O-N 3.47Å; E166-K169 IonicContact OE1-NZ 2.58Å; E166-K169 PolarHBondContact OE1-NZ 2.7Å
167	L	92.8	Very high	83.2	Confident	2 Å²	2	50.2 Å²	50.2	1%	0.01	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-62.3	-17.2	167.8	-62.1	178	0	0	0	112.4	P161 I164 C165 K169 C170 F299 V301	P161-L167 HydrophobicContact CB-CD2 4.21Å; P161-L167 HydrophobicContact CG-CD2 3.73Å; I164-L167 HydrophobicContact CG1-CD1 4.22Å; I164-L167 WeakPolarHBondContact O-CB 3.21Å; I164-L167 VanDerWaalsContact O-CG 3.31Å; I164-L167 WeakPolarHBondContact O-CG 3.37Å; I164-L167 PolarHBondContact O-N 3.01Å; C165-L167 PolarHBondContact O-N 3.5Å; L167-K169 PolarHBondContact O-N 2.92Å; L167-K169 VanDerWaalsContact O-N 3.08Å; L167-C170 HydrophobicContact CD2-CB 4.48Å; L167-C170 PolarHBondContact O-N 3.05Å; L167-F299 HydrophobicContact CD1-CB 4.16Å; L167-F299 HydrophobicContact CD1-CD2 4.26Å; L167-F299 HydrophobicContact CD1-CG 4.32Å; L167-F299 HydrophobicContact CD2-CD2 4.19Å; L167-F299 HydrophobicContact CD2-CE2 4.49Å; L167-F299 HydrophobicContact CG-CD2 4.42Å; L167-V301 HydrophobicContact CD1-CB 3.68Å; L167-V301 HydrophobicContact CD1-CG1 3.94Å; L167-V301 HydrophobicContact CD1-CG2 3.62Å
168	D	87.6	Confident	83.4	Confident	37 Å²	37	50.1 Å²	50.1	20%	0.198	25%	0.245	C	C	.	.	G	3₁₀ helix	trans	-59.8	-15.1	168.1	-70.3	-16.6	0	0	0	113.3	C165 E166 K208 H209 R282	C165-D168 WeakPolarHBondContact O-CB 3.4Å; C165-D168 PolarHBondContact O-N 3.38Å; E166-D168 PolarHBondContact O-N 2.92Å; D168-K208 HydrophobicContact CB-CD 4.26Å; D168-H209 PolarHBondContact OD1-N 3.12Å; D168-H209 PolarHBondContact OD2-N 2.83Å; D168-R282 IonicContact OD1-CZ 2.98Å; D168-R282 IonicContact OD1-NH1 3.51Å; D168-R282 PolarHBondContact OD1-NH1 2.73Å; D168-R282 IonicContact OD1-NH2 3.64Å; D168-R282 PolarHBondContact OD1-NH2 2.73Å
169	K	81.8	Confident	82.8	Confident	37 Å²	37	49.8 Å²	49.8	16%	0.161	24%	0.243	C	C	.	.	G	3₁₀ helix	trans	-99.8	-9.7	177.8	-51.4	168.3	-170.2	165.6	0	112.5	L111 W159 E166 L167 H171	L111-K169 HydrophobicContact CG-CD 4.49Å; W159-K169 HydrophobicContact CH2-CB 4.45Å; W159-K169 HydrophobicContact CZ2-CD 4.47Å; E166-K169 HydrophobicContact CB-CD 4.4Å; E166-K169 VanDerWaalsContact O-CB 3.29Å; E166-K169 WeakPolarHBondContact O-CB 3.42Å; E166-K169 PolarHBondContact O-N 3.47Å; E166-K169 IonicContact OE1-NZ 2.58Å; E166-K169 PolarHBondContact OE1-NZ 2.7Å; L167-K169 PolarHBondContact O-N 2.92Å; L167-K169 VanDerWaalsContact O-N 3.08Å; K169-H171 PolarHBondContact O-N 2.64Å
170	C	85	Confident	82.4	Confident	3 Å²	3	50.5 Å²	50.5	2%	0.02	25%	0.251	C	S	.	.			trans	-91.4	71.7	-178.8	-71.1	0	0	0	0	109.9	L167 D292	L167-C170 HydrophobicContact CD2-CB 4.48Å; L167-C170 PolarHBondContact O-N 3.05Å; C170-D292 VanDerWaalsContact C-OD2 3.27Å; C170-D292 WeakPolarHBondContact CA-OD2 3.3Å; C170-D292 HydrophobicContact CB-CB 3.91Å
171	H	78.9	Confident	81.6	Confident	97 Å²	97	55.3 Å²	55.3	45%	0.449	28%	0.276	S	S	.	.			trans	-124.3	23.4	-175.9	65.7	64.1	0	0	0	112.6	K169 L173 D292	K169-H171 PolarHBondContact O-N 2.64Å; H171-L173 PolarHBondContact O-N 3.45Å; H171-D292 PolarHBondContact N-OD2 3.02Å
172	H	75.7	Confident	81.1	Confident	45 Å²	45	57 Å²	57	21%	0.208	29%	0.285	C	S	.	.			trans	-70.4	95.9	178.7	-63.2	89.9	0	0	0	109.8	L288 S289 D292	H172-L288 CarbonylContact O-C 3.58Å; H172-L288 VanDerWaalsContact O-CA 3.31Å; H172-L288 WeakPolarHBondContact O-CA 3.47Å; H172-S289 PolarHBondContact O-N 3.1Å; H172-D292 VanDerWaalsContact CB-OD2 3.31Å; H172-D292 WeakPolarHBondContact CB-OD2 3.41Å; H172-D292 IonicContact CE1-OD2 3.69Å; H172-D292 IonicContact CG-OD2 3.81Å; H172-D292 PolarHBondContact N-OD2 3.43Å; H172-D292 IonicContact ND1-OD1 2.94Å; H172-D292 IonicContact ND1-OD2 3.88Å; H172-D292 PolarHBondContact ND1-OD2 3.31Å
173	L	79.8	Confident	80.8	Confident	69 Å²	69	57.7 Å²	57.7	36%	0.361	30%	0.296	S	S	.	.	B	Isolated β-bridge	trans	-80.6	139.4	-179.9	-65.1	172.6	0	0	0	111.7	H171 F205 V284 A285 L287 L288	H171-L173 PolarHBondContact O-N 3.45Å; L173-F205 HydrophobicContact CD1-CE1 3.78Å; L173-F205 HydrophobicContact CD1-CZ 3.85Å; L173-V284 HydrophobicContact CD2-CG2 4.42Å; L173-A285 HydrophobicContact CD1-CB 4.08Å; L173-A285 HydrophobicContact CD2-CB 4.47Å; L173-L287 CarbonylContact C-O 3.57Å; L173-L287 WeakPolarHBondContact CA-O 3.4Å; L173-L288 HydrophobicContact CD2-CD2 3.91Å
174	V	76.6	Confident	80.4	Confident	64 Å²	64	59 Å²	59	39%	0.388	31%	0.309	S	S	.	.			trans	-96.5	125.2	170.5	-179.5	0	0	0	0	108	K176 L287	V174-K176 HydrophobicContact CG1-CB 3.93Å; V174-K176 PolarHBondContact O-N 2.75Å; V174-L287 HydrophobicContact CB-CB 4.37Å; V174-L287 HydrophobicContact CB-CD2 4.2Å; V174-L287 HydrophobicContact CB-CG 4.37Å; V174-L287 HydrophobicContact CG1-CD2 4.31Å; V174-L287 PolarHBondContact N-O 3.43Å
175	T	76.1	Confident	80	Confident	95 Å²	95	58.9 Å²	58.9	58%	0.583	31%	0.308	S	S	*	.	G	3₁₀ helix	trans	-84.1	13.1	-173	57.4	0	0	0	0	114.3	F177 D178 L181	T175-F177 PolarHBondContact O-N 3.36Å; T175-F177 VanDerWaalsContact O-N 3.14Å; T175-D178 PolarHBondContact O-N 2.85Å; T175-L181 HydrophobicContact CG2-CD1 4.11Å
176	K	62.9	Low	79.9	Confident	107 Å²	107	58 Å²	58	47%	0.465	30%	0.302	S	S	.	.	G	3₁₀ helix	trans	-63	-21.7	-169.7	-171.5	177.5	177.1	-173.2	0	113.7	V174 D418	V174-K176 HydrophobicContact CG1-CB 3.93Å; V174-K176 PolarHBondContact O-N 2.75Å; K176-D418 VanDerWaalsContact NZ-CG 3.31Å; K176-D418 IonicContact NZ-OD1 3.29Å; K176-D418 PolarHBondContact NZ-OD1 2.86Å; K176-D418 IonicContact NZ-OD2 3.59Å; K176-D418 PolarHBondContact NZ-OD2 2.62Å
177	F	67.6	Low	79.8	Confident	34 Å²	34	56 Å²	56	15%	0.149	29%	0.293	C	S	.	.	G	3₁₀ helix	trans	-132.6	26.8	-175.1	-53	-61.7	0	0	0	113.1	T175 P179 L287 P318 E319	T175-F177 PolarHBondContact O-N 3.36Å; T175-F177 VanDerWaalsContact O-N 3.14Å; F177-P179 WeakPolarHBondContact O-CD 3.44Å; F177-L287 HydrophobicContact CD2-CD2 4.25Å; F177-L287 HydrophobicContact CE2-CD2 4.03Å; F177-P318 HydrophobicContact CD1-CB 4.14Å; F177-P318 HydrophobicContact CE1-CB 4.3Å; F177-P318 WeakPolarHBondContact CE1-O 3.35Å; F177-P318 WeakPolarHBondContact CZ-O 3.4Å; F177-E319 HydrophobicContact CB-CB 3.93Å; F177-E319 HydrophobicContact CG-CB 4.32Å
178	D	76.6	Confident	79.7	Confident	54 Å²	54	59.8 Å²	59.8	29%	0.289	31%	0.307	S	S	.	.			trans	-75.8	120	177.4	-172.5	-22.7	0	0	0	109.6	T175 D180 L181 D182	T175-D178 PolarHBondContact O-N 2.85Å; D178-D180 PolarHBondContact O-N 3.39Å; D178-D180 VanDerWaalsContact O-N 3.12Å; D178-D180 WeakPolarHBondContact OD1-CB 3.37Å; D178-D180 PolarHBondContact OD1-N 3.25Å; D178-L181 HydrophobicContact CB-CB 4.13Å; D178-L181 HydrophobicContact CB-CD1 3.97Å; D178-L181 HydrophobicContact CB-CG 4.08Å; D178-L181 CarbonylContact O-C 3.51Å; D178-L181 PolarHBondContact O-N 3.13Å; D178-D182 PolarHBondContact O-N 3.12Å
179	P	71.1	Confident	79.9	Confident	4 Å²	4	62.9 Å²	62.9	3%	0.026	33%	0.332	C	S	.	.	T	Hydrogen-bonded Turn	trans	-64	-13.9	178.1	27.3	-36.1	0	0	0	113.8	F177 L181 Y188 R194 R197	F177-P179 WeakPolarHBondContact O-CD 3.44Å; P179-L181 VanDerWaalsContact C-N 3.32Å; P179-Y188 VanDerWaalsContact O-CD2 3.26Å; P179-Y188 WeakPolarHBondContact O-CD2 3.43Å; P179-R194 HydrophobicContact CB-CG 4.07Å; P179-R194 HydrophobicContact CG-CG 4.34Å; P179-R197 HydrophobicContact CG-CG 4.29Å
180	D	74.9	Confident	80.5	Confident	61 Å²	61	63.5 Å²	63.5	33%	0.326	34%	0.337	S	S	.	.	T	Hydrogen-bonded Turn	trans	-78.4	-17.1	169.4	-77.1	-34.7	0	0	0	112.7	D178 R194 K198	D178-D180 PolarHBondContact O-N 3.39Å; D178-D180 VanDerWaalsContact O-N 3.12Å; D178-D180 WeakPolarHBondContact OD1-CB 3.37Å; D178-D180 PolarHBondContact OD1-N 3.25Å; D180-R194 WeakPolarHBondContact OD1-CD 3.41Å; D180-K198 IonicContact OD1-NZ 2.81Å; D180-K198 PolarHBondContact OD1-NZ 3.02Å; D180-K198 WeakPolarHBondContact OD2-CE 3.49Å; D180-K198 IonicContact OD2-NZ 3.85Å; D180-K198 PolarHBondContact OD2-NZ 2.86Å
181	L	74.6	Confident	81	Confident	109 Å²	109	70.6 Å²	70.6	57%	0.571	37%	0.37	S	S	*	.	T	Hydrogen-bonded Turn	trans	-119.3	-27.5	-172.2	-58.4	175.9	0	0	0	113.8	T175 D178 P179	T175-L181 HydrophobicContact CG2-CD1 4.11Å; D178-L181 HydrophobicContact CB-CB 4.13Å; D178-L181 HydrophobicContact CB-CD1 3.97Å; D178-L181 HydrophobicContact CB-CG 4.08Å; D178-L181 CarbonylContact O-C 3.51Å; D178-L181 PolarHBondContact O-N 3.13Å; P179-L181 VanDerWaalsContact C-N 3.32Å
182	D	80.7	Confident	81.8	Confident	37 Å²	37	71.5 Å²	71.5	20%	0.198	38%	0.382	C	S	.	.			trans	-98.1	110.3	-176.2	-176.8	6.6	0	0	0	112	D178 D184 H185 Y188	D178-D182 PolarHBondContact O-N 3.12Å; D182-D184 VanDerWaalsContact C-N 3.25Å; D182-D184 PolarHBondContact O-N 3.02Å; D182-D184 PolarHBondContact OD1-N 3.12Å; D182-H185 HydrophobicContact CB-CB 4.16Å; D182-H185 WeakPolarHBondContact O-CB 3.24Å; D182-H185 PolarHBondContact O-N 2.85Å; D182-Y188 WeakPolarHBondContact O-CB 3.28Å; D182-Y188 WeakPolarHBondContact O-CD2 3.33Å
183	L	83.4	Confident	82.8	Confident	123 Å²	123	70.5 Å²	70.5	64%	0.644	38%	0.376	S	S	*	.	T	Hydrogen-bonded Turn	trans	-65.2	-27	-179.4	-74.6	163.1	0	0	0	113.4	H185 Y188	L183-H185 VanDerWaalsContact C-N 3.35Å; L183-Y188 HydrophobicContact CD2-CD1 4.07Å; L183-Y188 HydrophobicContact CD2-CE1 3.41Å; L183-Y188 VanDerWaalsContact CD2-CE1 3.41Å; L183-Y188 HydrophobicContact CD2-CE2 3.94Å; L183-Y188 WeakPolarHBondContact CD2-OH 3.29Å; L183-Y188 HydrophobicContact CG-CE2 4.39Å
184	D	84.4	Confident	83.5	Confident	151 Å²	151	69.6 Å²	69.6	81%	0.807	37%	0.368	S	S	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-8.5	-176.8	-65.8	-35	0	0	0	111.8	D182	D182-D184 VanDerWaalsContact C-N 3.25Å; D182-D184 PolarHBondContact O-N 3.02Å; D182-D184 PolarHBondContact OD1-N 3.12Å
185	H	86.9	Confident	84.4	Confident	8 Å²	8	71.9 Å²	71.9	4%	0.037	37%	0.374	C	S	.	.	S	Bend	trans	-64.7	130	176	-169.7	-36.1	0	0	0	110.3	D182 L183 G187 Y188 Y193 R197 E319	D182-H185 HydrophobicContact CB-CB 4.16Å; D182-H185 WeakPolarHBondContact O-CB 3.24Å; D182-H185 PolarHBondContact O-N 2.85Å; L183-H185 VanDerWaalsContact C-N 3.35Å; H185-G187 PolarHBondContact ND1-N 2.79Å; H185-G187 PolarHBondContact O-N 3.4Å; H185-Y188 VanDerWaalsContact O-CB 3.25Å; H185-Y188 WeakPolarHBondContact O-CB 3.31Å; H185-Y188 PolarHBondContact O-N 3.4Å; H185-Y193 AromaticContact CE1-CE1 3.6Å; H185-R197 PolarHBondContact NE2-NH1 2.81Å; H185-E319 IonicContact CE1-OE1 3.34Å; H185-E319 IonicContact NE2-OE1 3.25Å; H185-E319 PolarHBondContact NE2-OE1 2.83Å; H185-E319 IonicContact NE2-OE2 3.3Å
186	P	88.9	Confident	85.4	Confident	39 Å²	39	70.1 Å²	70.1	25%	0.253	36%	0.357	S	S	.	.	T	Hydrogen-bonded Turn	trans	-54.6	-27.1	179.4	-29.6	33.9	0	0	0	115.6	H310	P186-H310 HydrophobicContact CB-CB 4.04Å
187	G	90.4	Very high	86.9	Confident	0 Å²	0	66.1 Å²	66.1	0%	0	34%	0.339	C	S	.	.	T	Hydrogen-bonded Turn	trans	-93.1	2.2	178.5	0	0	0	0	0	114.5	H185 S189 D190	H185-G187 PolarHBondContact ND1-N 2.79Å; H185-G187 PolarHBondContact O-N 3.4Å; G187-S189 VanDerWaalsContact C-N 3.29Å; G187-S189 PolarHBondContact O-N 2.82Å; G187-D190 PolarHBondContact O-N 3.31Å; G187-D190 VanDerWaalsContact O-N 3.07Å
188	Y	88.9	Confident	88.1	Confident	82 Å²	82	68.6 Å²	68.6	32%	0.322	35%	0.35	S	S	.	.	S	Bend	trans	-56.8	-42.7	-176.4	176.4	-96.7	0	0	0	112.5	P179 D182 L183 H185 R194	P179-Y188 VanDerWaalsContact O-CD2 3.26Å; P179-Y188 WeakPolarHBondContact O-CD2 3.43Å; D182-Y188 WeakPolarHBondContact O-CB 3.28Å; D182-Y188 WeakPolarHBondContact O-CD2 3.33Å; L183-Y188 HydrophobicContact CD2-CD1 4.07Å; L183-Y188 HydrophobicContact CD2-CE1 3.41Å; L183-Y188 VanDerWaalsContact CD2-CE1 3.41Å; L183-Y188 HydrophobicContact CD2-CE2 3.94Å; L183-Y188 WeakPolarHBondContact CD2-OH 3.29Å; L183-Y188 HydrophobicContact CG-CE2 4.39Å; H185-Y188 VanDerWaalsContact O-CB 3.25Å; H185-Y188 WeakPolarHBondContact O-CB 3.31Å; H185-Y188 PolarHBondContact O-N 3.4Å; Y188-R194 PolarHBondContact O-NE 3.22Å; Y188-R194 VanDerWaalsContact O-NE 3.13Å; Y188-R194 PolarHBondContact O-NH1 2.92Å; Y188-R194 PolarHBondContact O-NH2 3.15Å; Y188-R194 VanDerWaalsContact O-NH2 3.12Å
189	S	91.8	Very high	89	Confident	101 Å²	101	69 Å²	69	71%	0.706	35%	0.354	S	S	*	.	S	Bend	trans	-84.4	-15.8	179.2	65.6	0	0	0	0	113.4	G187 Q191 R194	G187-S189 VanDerWaalsContact C-N 3.29Å; G187-S189 PolarHBondContact O-N 2.82Å; S189-Q191 PolarHBondContact O-N 2.84Å; S189-R194 PolarHBondContact O-NH2 3.06Å
190	D	94.8	Very high	90.3	Very high	50 Å²	50	69.1 Å²	69.1	27%	0.267	36%	0.355	S	S	.	.			trans	-83.6	110.4	-178.6	-170.9	-26.4	0	0	0	110.8	G187 V192 Y193 R194 H310	G187-D190 PolarHBondContact O-N 3.31Å; G187-D190 VanDerWaalsContact O-N 3.07Å; D190-V192 WeakPolarHBondContact OD1-CA 3.23Å; D190-V192 WeakPolarHBondContact OD1-CB 3.48Å; D190-V192 PolarHBondContact OD1-N 3.31Å; D190-Y193 PolarHBondContact OD1-N 3.45Å; D190-R194 WeakPolarHBondContact O-CG 3.31Å; D190-R194 PolarHBondContact O-N 3.13Å; D190-R194 PolarHBondContact O-NE 3.29Å; D190-H310 IonicContact OD2-NE2 2.73Å; D190-H310 PolarHBondContact OD2-NE2 2.66Å
191	Q	95.8	Very high	91.1	Very high	152 Å²	152	67 Å²	67	71%	0.71	35%	0.346	S	S	*	.	H	α-helix	trans	-72	-32	178.5	-67.9	-177.9	-7.8	0	0	112.7	S189 Q195	S189-Q191 PolarHBondContact O-N 2.84Å; Q191-Q195 WeakPolarHBondContact O-CB 3.4Å; Q191-Q195 PolarHBondContact O-N 3.19Å
192	V	96.9	Very high	92	Very high	116 Å²	116	66.9 Å²	66.9	70%	0.703	34%	0.342	S	S	*	.	H	α-helix	trans	-70	-46.9	179.6	179.9	0	0	0	0	109.3	D190 R194 Q195 R196	D190-V192 WeakPolarHBondContact OD1-CA 3.23Å; D190-V192 WeakPolarHBondContact OD1-CB 3.48Å; D190-V192 PolarHBondContact OD1-N 3.31Å; V192-R194 PolarHBondContact O-N 2.95Å; V192-Q195 PolarHBondContact O-N 2.82Å; V192-R196 WeakPolarHBondContact O-CB 3.35Å; V192-R196 PolarHBondContact O-N 3.21Å
193	Y	95.9	Very high	92.7	Very high	25 Å²	25	66.7 Å²	66.7	10%	0.098	34%	0.341	C	S	.	.	H	α-helix	trans	-60.2	-45.2	175.9	-175.6	-100.5	0	0	0	112.1	H185 D190 Q195 R196 R197 I308 H310 E319	H185-Y193 AromaticContact CE1-CE1 3.6Å; D190-Y193 PolarHBondContact OD1-N 3.45Å; Y193-Q195 PolarHBondContact O-N 3.08Å; Y193-R196 WeakPolarHBondContact O-CB 3.29Å; Y193-R196 PolarHBondContact O-N 3.29Å; Y193-R197 HydrophobicContact CD1-CG 4.07Å; Y193-R197 HydrophobicContact CE1-CG 3.76Å; Y193-R197 WeakPolarHBondContact O-CG 3.31Å; Y193-R197 PolarHBondContact O-N 2.79Å; Y193-I308 WeakPolarHBondContact CE2-O 3.39Å; Y193-I308 PolarHBondContact OH-O 2.66Å; Y193-I308 VanDerWaalsContact OH-O 3.11Å; Y193-H310 HydrophobicContact CD2-CB 4.45Å; Y193-H310 AromaticContact CD2-CD2 3.71Å; Y193-H310 HydrophobicContact CE2-CB 4.08Å; Y193-H310 AromaticContact CG-CD2 3.71Å; Y193-E319 PolarHBondContact OH-OE1 2.89Å
194	R	93.9	Very high	93.1	Very high	50 Å²	50	61.5 Å²	61.5	19%	0.189	32%	0.315	C	S	.	.	H	α-helix	trans	-61.8	-42.2	176.7	-75.2	179.6	-69.7	177.3	-11.8	112.9	P179 D180 Y188 S189 D190 V192 R196 R197 K198	P179-R194 HydrophobicContact CB-CG 4.07Å; P179-R194 HydrophobicContact CG-CG 4.34Å; D180-R194 WeakPolarHBondContact OD1-CD 3.41Å; Y188-R194 PolarHBondContact O-NE 3.22Å; Y188-R194 VanDerWaalsContact O-NE 3.13Å; Y188-R194 PolarHBondContact O-NH1 2.92Å; Y188-R194 PolarHBondContact O-NH2 3.15Å; Y188-R194 VanDerWaalsContact O-NH2 3.12Å; S189-R194 PolarHBondContact O-NH2 3.06Å; D190-R194 WeakPolarHBondContact O-CG 3.31Å; D190-R194 PolarHBondContact O-N 3.13Å; D190-R194 PolarHBondContact O-NE 3.29Å; V192-R194 PolarHBondContact O-N 2.95Å; R194-R196 VanDerWaalsContact C-N 3.32Å; R194-R197 PolarHBondContact O-N 3.5Å; R194-K198 WeakPolarHBondContact O-CG 3.35Å; R194-K198 PolarHBondContact O-N 3.39Å
195	Q	95.8	Very high	93.4	Very high	111 Å²	111	59.9 Å²	59.9	52%	0.519	30%	0.301	S	S	.	.	H	α-helix	trans	-66.3	-37.3	175.7	-172.9	57.1	43.9	0	0	111.6	Q191 V192 Y193 K198 T199	Q191-Q195 WeakPolarHBondContact O-CB 3.4Å; Q191-Q195 PolarHBondContact O-N 3.19Å; V192-Q195 PolarHBondContact O-N 2.82Å; Y193-Q195 PolarHBondContact O-N 3.08Å; Q195-K198 PolarHBondContact O-N 3.21Å; Q195-T199 PolarHBondContact O-N 3.38Å; Q195-T199 PolarHBondContact O-OG1 2.84Å
196	R	96.8	Very high	93.6	Very high	58 Å²	58	66.2 Å²	66.2	22%	0.219	33%	0.331	C	S	.	.	H	α-helix	trans	-62.6	-44.5	174.4	-177.7	56.6	169.9	178.4	-2.5	111.6	V192 Y193 R194 K198 T199 I200 E217 E222	V192-R196 WeakPolarHBondContact O-CB 3.35Å; V192-R196 PolarHBondContact O-N 3.21Å; Y193-R196 WeakPolarHBondContact O-CB 3.29Å; Y193-R196 PolarHBondContact O-N 3.29Å; R194-R196 VanDerWaalsContact C-N 3.32Å; R196-K198 PolarHBondContact O-N 3.02Å; R196-T199 WeakPolarHBondContact O-CB 3.45Å; R196-T199 PolarHBondContact O-N 3.18Å; R196-I200 HydrophobicContact CG-CD1 4.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.32Å; R196-I200 PolarHBondContact O-N 3.02Å; R196-E217 PolarHBondContact NH2-O 3.41Å; R196-E222 WeakPolarHBondContact CG-OE1 3.32Å; R196-E222 IonicContact CZ-OE1 2.65Å; R196-E222 IonicContact CZ-OE2 3.85Å; R196-E222 IonicContact NE-OE1 3.12Å; R196-E222 PolarHBondContact NE-OE1 2.97Å; R196-E222 IonicContact NE-OE2 2.73Å; R196-E222 IonicContact NH2-OE1 3.91Å; R196-E222 PolarHBondContact NH2-OE1 2.87Å; R196-E222 IonicContact NH2-OE2 2.97Å; R196-E222 PolarHBondContact NH2-OE2 2.83Å
197	R	94.6	Very high	94	Very high	23 Å²	23	65.2 Å²	65.2	9%	0.087	32%	0.322	C	S	.	.	H	α-helix	trans	-57.8	-45.3	173.8	-74	-69.8	-61.7	-82.7	6.9	112.5	P179 H185 Y193 R194 T199 I200 A201 Y307 E319	P179-R197 HydrophobicContact CG-CG 4.29Å; H185-R197 PolarHBondContact NE2-NH1 2.81Å; Y193-R197 HydrophobicContact CD1-CG 4.07Å; Y193-R197 HydrophobicContact CE1-CG 3.76Å; Y193-R197 WeakPolarHBondContact O-CG 3.31Å; Y193-R197 PolarHBondContact O-N 2.79Å; R194-R197 PolarHBondContact O-N 3.5Å; R197-T199 PolarHBondContact O-N 2.87Å; R197-I200 PolarHBondContact O-N 3.29Å; R197-A201 VanDerWaalsContact O-CB 3.29Å; R197-A201 WeakPolarHBondContact O-CB 3.38Å; R197-A201 PolarHBondContact O-N 3.48Å; R197-Y307 VanDerWaalsContact CD-CB 3.49Å; R197-Y307 VanDerWaalsContact CD-CG 3.46Å; R197-Y307 VanDerWaalsContact NE-CG 3.33Å; R197-Y307 PolarHBondContact NH2-OH 3.35Å; R197-E319 IonicContact CZ-OE1 2.83Å; R197-E319 IonicContact CZ-OE2 3.38Å; R197-E319 IonicContact NH1-OE1 2.79Å; R197-E319 PolarHBondContact NH1-OE1 3.46Å; R197-E319 IonicContact NH1-OE2 3.19Å; R197-E319 PolarHBondContact NH1-OE2 2.58Å; R197-E319 IonicContact NH2-OE1 2.58Å; R197-E319 IonicContact NH2-OE2 2.74Å; R197-E319 PolarHBondContact NH2-OE2 3Å
198	K	93.5	Very high	94.1	Very high	87 Å²	87	69.9 Å²	69.9	38%	0.378	34%	0.343	S	S	.	.	H	α-helix	trans	-60	-46.4	175.5	-72.6	172.5	-176	170.4	0	112	D180 R194 Q195 R196 I200 A201 E202	D180-K198 IonicContact OD1-NZ 2.81Å; D180-K198 PolarHBondContact OD1-NZ 3.02Å; D180-K198 WeakPolarHBondContact OD2-CE 3.49Å; D180-K198 IonicContact OD2-NZ 3.85Å; D180-K198 PolarHBondContact OD2-NZ 2.86Å; R194-K198 WeakPolarHBondContact O-CG 3.35Å; R194-K198 PolarHBondContact O-N 3.39Å; Q195-K198 PolarHBondContact O-N 3.21Å; R196-K198 PolarHBondContact O-N 3.02Å; K198-I200 VanDerWaalsContact C-N 3.32Å; K198-I200 PolarHBondContact O-N 2.95Å; K198-A201 PolarHBondContact O-N 3.35Å; K198-E202 WeakPolarHBondContact O-CG 3.39Å; K198-E202 PolarHBondContact O-N 3.21Å
199	T	95.9	Very high	94.3	Very high	61 Å²	61	68.9 Å²	68.9	37%	0.374	34%	0.34	S	S	.	.	H	α-helix	trans	-59.8	-42.6	179.3	-51.9	0	0	0	0	111.5	Q195 R196 R197	Q195-T199 PolarHBondContact O-N 3.38Å; Q195-T199 PolarHBondContact O-OG1 2.84Å; R196-T199 WeakPolarHBondContact O-CB 3.45Å; R196-T199 PolarHBondContact O-N 3.18Å; R197-T199 PolarHBondContact O-N 2.87Å
200	I	96.4	Very high	94.4	Very high	7 Å²	7	67.1 Å²	67.1	4%	0.036	34%	0.338	C	S	.	.	H	α-helix	trans	-72.2	-39.2	177.1	-65.2	174.3	0	0	0	111.1	R196 R197 K198 E202 I203 V216 Q306	R196-I200 HydrophobicContact CG-CD1 4.26Å; R196-I200 WeakPolarHBondContact O-CG1 3.32Å; R196-I200 PolarHBondContact O-N 3.02Å; R197-I200 PolarHBondContact O-N 3.29Å; K198-I200 VanDerWaalsContact C-N 3.32Å; K198-I200 PolarHBondContact O-N 2.95Å; I200-E202 VanDerWaalsContact C-N 3.27Å; I200-E202 PolarHBondContact O-N 2.77Å; I200-I203 VanDerWaalsContact O-CB 3.28Å; I200-I203 WeakPolarHBondContact O-CB 3.41Å; I200-I203 PolarHBondContact O-N 3.23Å; I200-I203 VanDerWaalsContact O-N 3.1Å; I200-V216 HydrophobicContact CD1-CG1 4.27Å; I200-V216 HydrophobicContact CG1-CG1 4.39Å; I200-Q306 HydrophobicContact CG2-CB 3.56Å
201	A	92.8	Very high	94.5	Very high	17 Å²	17	68.8 Å²	68.8	14%	0.14	35%	0.347	C	S	.	.	H	α-helix	trans	-61.6	-34.6	176.9	0	0	0	0	0	112.4	R197 K198 I203 A204 F205 A285	R197-A201 VanDerWaalsContact O-CB 3.29Å; R197-A201 WeakPolarHBondContact O-CB 3.38Å; R197-A201 PolarHBondContact O-N 3.48Å; K198-A201 PolarHBondContact O-N 3.35Å; A201-I203 PolarHBondContact O-N 2.8Å; A201-A204 PolarHBondContact O-N 2.77Å; A201-A204 VanDerWaalsContact O-N 3.1Å; A201-F205 HydrophobicContact CB-CD2 4.39Å; A201-F205 HydrophobicContact CB-CE2 3.94Å; A201-F205 WeakPolarHBondContact O-CD2 3.39Å; A201-F205 PolarHBondContact O-N 2.67Å; A201-A285 HydrophobicContact CB-CB 3.9Å
202	E	93.8	Very high	94.6	Very high	106 Å²	106	66 Å²	66	50%	0.495	34%	0.342	S	S	.	.	H	α-helix	trans	-57.7	-34.2	174.2	-76.9	174.6	-175.5	0	0	112.4	K198 I200 F205 H206	K198-E202 WeakPolarHBondContact O-CG 3.39Å; K198-E202 PolarHBondContact O-N 3.21Å; I200-E202 VanDerWaalsContact C-N 3.27Å; I200-E202 PolarHBondContact O-N 2.77Å; E202-F205 PolarHBondContact O-N 2.99Å; E202-H206 PolarHBondContact O-N 2.66Å; E202-H206 VanDerWaalsContact O-N 3.08Å; E202-H206 PolarHBondContact O-ND1 2.89Å
203	I	94.7	Very high	94.7	Very high	34 Å²	34	60.6 Å²	60.6	17%	0.174	31%	0.31	C	S	.	.	H	α-helix	trans	-58.7	-50.6	174.1	-63.3	171.1	0	0	0	110.2	I200 A201 F205 H206 Y207 P214 V216	I200-I203 VanDerWaalsContact O-CB 3.28Å; I200-I203 WeakPolarHBondContact O-CB 3.41Å; I200-I203 PolarHBondContact O-N 3.23Å; I200-I203 VanDerWaalsContact O-N 3.1Å; A201-I203 PolarHBondContact O-N 2.8Å; I203-F205 VanDerWaalsContact C-N 3.34Å; I203-F205 PolarHBondContact O-N 3.38Å; I203-H206 PolarHBondContact O-N 3.39Å; I203-Y207 WeakPolarHBondContact O-CB 3.33Å; I203-Y207 PolarHBondContact O-N 3.29Å; I203-P214 HydrophobicContact CG2-CB 3.7Å; I203-P214 HydrophobicContact CG2-CG 3.71Å; I203-V216 HydrophobicContact CD1-CG2 3.51Å
204	A	92.9	Very high	94.8	Very high	13 Å²	13	62.1 Å²	62.1	11%	0.107	32%	0.322	C	S	.	.	H	α-helix	trans	-64.2	-37.4	-179.6	0	0	0	0	0	112.6	A201 P283 V284 A285	A201-A204 PolarHBondContact O-N 2.77Å; A201-A204 VanDerWaalsContact O-N 3.1Å; A204-P283 HydrophobicContact CB-CB 4.22Å; A204-V284 VanDerWaalsContact CB-C 3.49Å; A204-A285 HydrophobicContact CB-CB 4.09Å
205	F	89.1	Confident	95	Very high	117 Å²	117	64.7 Å²	64.7	51%	0.513	34%	0.336	S	S	.	.	H	α-helix	trans	-68.4	-32.9	177.8	-67.9	-49.6	0	0	0	113.5	L173 A201 E202 I203 A285	L173-F205 HydrophobicContact CD1-CE1 3.78Å; L173-F205 HydrophobicContact CD1-CZ 3.85Å; A201-F205 HydrophobicContact CB-CD2 4.39Å; A201-F205 HydrophobicContact CB-CE2 3.94Å; A201-F205 WeakPolarHBondContact O-CD2 3.39Å; A201-F205 PolarHBondContact O-N 2.67Å; E202-F205 PolarHBondContact O-N 2.99Å; I203-F205 VanDerWaalsContact C-N 3.34Å; I203-F205 PolarHBondContact O-N 3.38Å; F205-A285 HydrophobicContact CE1-CB 3.92Å; F205-A285 HydrophobicContact CE2-CB 4.12Å; F205-A285 HydrophobicContact CZ-CB 3.68Å
206	H	92.9	Very high	95.1	Very high	141 Å²	141	59.8 Å²	59.8	65%	0.653	31%	0.314	S	S	*	.	H	α-helix	trans	-87.5	-20.9	179.4	-69.1	92.7	0	0	0	113.5	E202 I203 K208	E202-H206 PolarHBondContact O-N 2.66Å; E202-H206 VanDerWaalsContact O-N 3.08Å; E202-H206 PolarHBondContact O-ND1 2.89Å; I203-H206 PolarHBondContact O-N 3.39Å; H206-K208 PolarHBondContact O-N 3.07Å
207	Y	95.3	Very high	95.2	Very high	18 Å²	18	65.5 Å²	65.5	7%	0.071	34%	0.343	C	S	.	.			trans	-60.6	133.6	179.6	177.7	-95.7	0	0	0	112.6	I203 D211 I213 R282 P283	I203-Y207 WeakPolarHBondContact O-CB 3.33Å; I203-Y207 PolarHBondContact O-N 3.29Å; Y207-D211 HydrophobicContact CD2-CB 4.48Å; Y207-D211 HydrophobicContact CE2-CB 4.38Å; Y207-D211 WeakPolarHBondContact CE2-O 3.25Å; Y207-I213 HydrophobicContact CE2-CG1 3.87Å; Y207-R282 HydrophobicContact CD1-CG 4.01Å; Y207-R282 HydrophobicContact CE1-CB 4.46Å; Y207-R282 HydrophobicContact CE1-CG 3.72Å; Y207-R282 PolarHBondContact O-NH2 2.87Å; Y207-P283 HydrophobicContact CD1-CG 3.82Å; Y207-P283 HydrophobicContact CD2-CG 3.8Å; Y207-P283 HydrophobicContact CE1-CG 4.43Å; Y207-P283 HydrophobicContact CE2-CG 4.4Å; Y207-P283 HydrophobicContact CG-CG 3.46Å; Y207-P283 VanDerWaalsContact CG-CG 3.46Å
208	K	93.9	Very high	95.4	Very high	99 Å²	99	66 Å²	66	43%	0.43	35%	0.345	S	S	.	.			trans	-122.8	151.4	170.8	-61	-62.6	174.5	-159.6	0	111.1	D168 H206 G210 D211	D168-K208 HydrophobicContact CB-CD 4.26Å; H206-K208 PolarHBondContact O-N 3.07Å; K208-G210 PolarHBondContact O-N 3.46Å; K208-D211 WeakPolarHBondContact O-CB 3.26Å; K208-D211 PolarHBondContact O-N 3.14Å; K208-D211 VanDerWaalsContact O-N 3.13Å
209	H	93.8	Very high	95.6	Very high	60 Å²	60	64.9 Å²	64.9	28%	0.278	35%	0.345	S	S	.	.	T	Hydrogen-bonded Turn	trans	-59.3	125.7	177.1	173.7	73.3	0	0	0	111.1	I164 C165 D168	I164-H209 WeakPolarHBondContact CG2-NE2 3.33Å; C165-H209 HydrophobicContact CB-CB 4.23Å; D168-H209 PolarHBondContact OD1-N 3.12Å; D168-H209 PolarHBondContact OD2-N 2.83Å
210	G	93.2	Very high	95.7	Very high	64 Å²	64	65.8 Å²	65.8	66%	0.66	36%	0.359	S	S	*	.	T	Hydrogen-bonded Turn	trans	105.7	-19.3	-179.6	0	0	0	0	0	113.2	K208	K208-G210 PolarHBondContact O-N 3.46Å
211	D	97.1	Very high	95.8	Very high	85 Å²	85	71.7 Å²	71.7	46%	0.455	39%	0.386	S	S	.	.	S	Bend	trans	-74.2	149.8	171.1	-63.4	-24.2	0	0	0	110.3	Y207 K208	Y207-D211 HydrophobicContact CD2-CB 4.48Å; Y207-D211 HydrophobicContact CE2-CB 4.38Å; Y207-D211 WeakPolarHBondContact CE2-O 3.25Å; K208-D211 WeakPolarHBondContact O-CB 3.26Å; K208-D211 PolarHBondContact O-N 3.14Å; K208-D211 VanDerWaalsContact O-N 3.13Å
212	P	97.9	Very high	96.1	Very high	93 Å²	93	71.7 Å²	71.7	60%	0.604	38%	0.384	S	S	*	.	P	Polyproline II helix	trans	-64.4	143.7	166.8	28.9	-33.8	0	0	0	109.9	P214	P212-P214 VanDerWaalsContact O-CD 3.3Å; P212-P214 WeakPolarHBondContact O-CD 3.42Å
213	I	98.4	Very high	96.3	Very high	4 Å²	4	68.2 Å²	68.2	2%	0.021	37%	0.37	C	S	.	.	P	Polyproline II helix	trans	-69.6	123	178.1	-53.9	172.2	0	0	0	108.6	Y207 H215 L266 E267 L281 P283	Y207-I213 HydrophobicContact CE2-CG1 3.87Å; I213-H215 PolarHBondContact O-N 2.98Å; I213-L266 HydrophobicContact CB-CB 4.48Å; I213-L266 HydrophobicContact CD1-CB 3.96Å; I213-L266 HydrophobicContact CG2-CB 3.87Å; I213-L266 HydrophobicContact CG2-CD1 4.46Å; I213-E267 HydrophobicContact CB-CB 4.11Å; I213-E267 PolarHBondContact N-OE2 3.31Å; I213-L281 HydrophobicContact CD1-CB 4.12Å; I213-L281 WeakPolarHBondContact CD1-O 3.15Å; I213-P283 HydrophobicContact CG2-CB 4.24Å; I213-P283 HydrophobicContact CG2-CG 3.97Å
214	P	98.3	Very high	96.5	Very high	56 Å²	56	70.8 Å²	70.8	36%	0.364	39%	0.387	S	S	.	.	P	Polyproline II helix	trans	-63.6	137.5	-178.1	-25.8	37.3	0	0	0	112.4	I203 P212 Q306	I203-P214 HydrophobicContact CG2-CB 3.7Å; I203-P214 HydrophobicContact CG2-CG 3.71Å; P212-P214 VanDerWaalsContact O-CD 3.3Å; P212-P214 WeakPolarHBondContact O-CD 3.42Å; P214-Q306 PolarHBondContact O-NE2 3.36Å; P214-Q306 VanDerWaalsContact O-NE2 3.08Å
215	H	98.2	Very high	96.7	Very high	105 Å²	105	70.5 Å²	70.5	49%	0.486	38%	0.384	S	S	.	.	P	Polyproline II helix	trans	-73.1	145.7	177.8	-71.7	-155	0	0	0	110.6	I213 Q265 E268	I213-H215 PolarHBondContact O-N 2.98Å; H215-Q265 VanDerWaalsContact CA-OE1 3.27Å; H215-E268 IonicContact CE1-OE1 3.46Å; H215-E268 IonicContact CE1-OE2 2.93Å; H215-E268 IonicContact NE2-OE1 3.9Å; H215-E268 IonicContact NE2-OE2 3.38Å
216	V	98.1	Very high	97.1	Very high	7 Å²	7	65 Å²	65	4%	0.042	36%	0.36	C	S	.	.			trans	-106.7	120.7	172.3	175.6	0	0	0	0	108.8	I200 I203 Y218 Q265 Q306	I200-V216 HydrophobicContact CD1-CG1 4.27Å; I200-V216 HydrophobicContact CG1-CG1 4.39Å; I203-V216 HydrophobicContact CD1-CG2 3.51Å; V216-Y218 HydrophobicContact CB-CD2 4.48Å; V216-Y218 HydrophobicContact CB-CE1 4.2Å; V216-Y218 HydrophobicContact CB-CE2 4.07Å; V216-Y218 HydrophobicContact CG1-CD1 3.81Å; V216-Y218 HydrophobicContact CG1-CD2 4.37Å; V216-Y218 HydrophobicContact CG1-CE1 3.69Å; V216-Y218 HydrophobicContact CG1-CE2 4.28Å; V216-Y218 HydrophobicContact CG1-CG 4.16Å; V216-Y218 WeakPolarHBondContact O-CD2 3.41Å; V216-Y218 PolarHBondContact O-N 3.05Å; V216-Y218 VanDerWaalsContact O-N 3.09Å; V216-Q265 PolarHBondContact O-NE2 3.43Å; V216-Q306 HydrophobicContact CG2-CB 4.19Å
217	E	97.9	Very high	97.4	Very high	178 Å²	178	62.1 Å²	62.1	83%	0.832	35%	0.345	S	S	*	.			trans	-74.9	96.1	167.6	-67.2	-172.9	171.3	0	0	108.7	R196	R196-E217 PolarHBondContact NH2-O 3.41Å
218	Y	98.5	Very high	97.5	Very high	35 Å²	35	65.6 Å²	65.6	14%	0.137	36%	0.363	C	S	.	.			trans	-72.1	142.2	177.8	-64.4	-76.8	0	0	0	111.6	V216 E222 I263 Q306	V216-Y218 HydrophobicContact CB-CD2 4.48Å; V216-Y218 HydrophobicContact CB-CE1 4.2Å; V216-Y218 HydrophobicContact CB-CE2 4.07Å; V216-Y218 HydrophobicContact CG1-CD1 3.81Å; V216-Y218 HydrophobicContact CG1-CD2 4.37Å; V216-Y218 HydrophobicContact CG1-CE1 3.69Å; V216-Y218 HydrophobicContact CG1-CE2 4.28Å; V216-Y218 HydrophobicContact CG1-CG 4.16Å; V216-Y218 WeakPolarHBondContact O-CD2 3.41Å; V216-Y218 PolarHBondContact O-N 3.05Å; V216-Y218 VanDerWaalsContact O-N 3.09Å; Y218-E222 VanDerWaalsContact CA-OE2 3.23Å; Y218-E222 WeakPolarHBondContact CA-OE2 3.36Å; Y218-E222 HydrophobicContact CD1-CB 4.42Å; Y218-I263 HydrophobicContact CD1-CD1 3.75Å; Y218-I263 HydrophobicContact CD2-CB 3.67Å; Y218-I263 HydrophobicContact CD2-CD1 4.07Å; Y218-I263 HydrophobicContact CD2-CG1 4.37Å; Y218-I263 HydrophobicContact CD2-CG2 3.96Å; Y218-I263 HydrophobicContact CE1-CD1 4.21Å; Y218-I263 HydrophobicContact CE1-CG2 4.28Å; Y218-I263 HydrophobicContact CE2-CB 3.72Å; Y218-I263 HydrophobicContact CE2-CD1 4.48Å; Y218-I263 HydrophobicContact CE2-CG2 3.48Å; Y218-I263 VanDerWaalsContact CE2-CG2 3.48Å; Y218-I263 HydrophobicContact CG-CB 4.21Å; Y218-I263 HydrophobicContact CG-CD1 3.67Å; Y218-I263 HydrophobicContact CG-CG1 4.43Å; Y218-Q306 WeakPolarHBondContact CE1-O 3.42Å; Y218-Q306 PolarHBondContact OH-O 3.48Å; Y218-Q306 VanDerWaalsContact OH-O 3.07Å
219	T	98.4	Very high	97.6	Very high	62 Å²	62	61 Å²	61	38%	0.38	34%	0.343	S	S	.	.			trans	-75.7	166.6	177.4	75	0	0	0	0	111.3	E221 E222 T223	T219-E221 VanDerWaalsContact C-N 3.28Å; T219-E221 PolarHBondContact O-N 2.95Å; T219-E221 PolarHBondContact OG1-N 2.71Å; T219-E222 PolarHBondContact N-OE2 2.81Å; T219-E222 PolarHBondContact O-N 3.35Å; T219-E222 VanDerWaalsContact OG1-CG 3.3Å; T219-E222 WeakPolarHBondContact OG1-CG 3.41Å; T219-E222 PolarHBondContact OG1-N 3.35Å; T219-T223 WeakPolarHBondContact O-CB 3.35Å; T219-T223 PolarHBondContact O-N 3.45Å; T219-T223 PolarHBondContact O-OG1 3.4Å
220	A	98.3	Very high	97.8	Very high	80 Å²	80	58.2 Å²	58.2	66%	0.661	33%	0.33	S	S	*	.	H	α-helix	trans	-63.5	-34.3	175	0	0	0	0	0	112.6	T224	A220-T224 WeakPolarHBondContact O-CB 3.42Å; A220-T224 PolarHBondContact O-N 3.32Å; A220-T224 PolarHBondContact O-OG1 3.29Å
221	E	98	Very high	98.1	Very high	131 Å²	131	57 Å²	57	61%	0.612	31%	0.311	S	S	*	.	H	α-helix	trans	-66.8	-48.8	175.7	-177	175.3	-119.4	0	0	110.7	T219 T223 T224 T225 A311	T219-E221 VanDerWaalsContact C-N 3.28Å; T219-E221 PolarHBondContact O-N 2.95Å; T219-E221 PolarHBondContact OG1-N 2.71Å; E221-T223 VanDerWaalsContact C-N 3.31Å; E221-T223 PolarHBondContact O-N 2.75Å; E221-T224 WeakPolarHBondContact O-CA 3.3Å; E221-T224 WeakPolarHBondContact O-CB 3.39Å; E221-T224 PolarHBondContact O-N 2.74Å; E221-T225 PolarHBondContact O-N 3.1Å; E221-T225 PolarHBondContact O-OG1 3.37Å; E221-A311 HydrophobicContact CG-CB 3.92Å
222	E	98.5	Very high	98	Very high	17 Å²	17	54.8 Å²	54.8	8%	0.079	30%	0.301	C	S	.	.	H	α-helix	trans	-56.8	-45.3	175.5	-67.8	173.8	151.1	0	0	110.9	R196 Y218 T219 T224 T225 W226 I263 I308	R196-E222 WeakPolarHBondContact CG-OE1 3.32Å; R196-E222 IonicContact CZ-OE1 2.65Å; R196-E222 IonicContact CZ-OE2 3.85Å; R196-E222 IonicContact NE-OE1 3.12Å; R196-E222 PolarHBondContact NE-OE1 2.97Å; R196-E222 IonicContact NE-OE2 2.73Å; R196-E222 IonicContact NH2-OE1 3.91Å; R196-E222 PolarHBondContact NH2-OE1 2.87Å; R196-E222 IonicContact NH2-OE2 2.97Å; R196-E222 PolarHBondContact NH2-OE2 2.83Å; Y218-E222 VanDerWaalsContact CA-OE2 3.23Å; Y218-E222 WeakPolarHBondContact CA-OE2 3.36Å; Y218-E222 HydrophobicContact CD1-CB 4.42Å; T219-E222 PolarHBondContact N-OE2 2.81Å; T219-E222 PolarHBondContact O-N 3.35Å; T219-E222 VanDerWaalsContact OG1-CG 3.3Å; T219-E222 WeakPolarHBondContact OG1-CG 3.41Å; T219-E222 PolarHBondContact OG1-N 3.35Å; E222-T224 VanDerWaalsContact C-N 3.27Å; E222-T224 PolarHBondContact O-N 3.24Å; E222-T225 PolarHBondContact O-N 3.35Å; E222-W226 PolarHBondContact O-N 3.27Å; E222-I263 HydrophobicContact CB-CD1 4.37Å; E222-I308 HydrophobicContact CB-CG2 3.71Å; E222-I308 HydrophobicContact CG-CG2 3.5Å; E222-I308 VanDerWaalsContact CG-CG2 3.5Å; E222-I308 VanDerWaalsContact O-CD1 3.24Å; E222-I308 WeakPolarHBondContact O-CD1 3.47Å
223	T	98.5	Very high	98	Very high	34 Å²	34	50.5 Å²	50.5	21%	0.209	27%	0.273	C	S	.	.	H	α-helix	trans	-64.4	-32.9	177.1	-54.3	0	0	0	0	112.3	T219 E221 K227	T219-T223 WeakPolarHBondContact O-CB 3.35Å; T219-T223 PolarHBondContact O-N 3.45Å; T219-T223 PolarHBondContact O-OG1 3.4Å; E221-T223 VanDerWaalsContact C-N 3.31Å; E221-T223 PolarHBondContact O-N 2.75Å; T223-K227 WeakPolarHBondContact O-CB 3.33Å; T223-K227 PolarHBondContact O-N 3.18Å
224	T	98.4	Very high	97.9	Very high	88 Å²	88	54 Å²	54	54%	0.54	29%	0.288	S	S	.	.	H	α-helix	trans	-70.2	-41.8	176.1	-58.6	0	0	0	0	111.3	A220 E221 E222 K227 E228	A220-T224 WeakPolarHBondContact O-CB 3.42Å; A220-T224 PolarHBondContact O-N 3.32Å; A220-T224 PolarHBondContact O-OG1 3.29Å; E221-T224 WeakPolarHBondContact O-CA 3.3Å; E221-T224 WeakPolarHBondContact O-CB 3.39Å; E221-T224 PolarHBondContact O-N 2.74Å; E222-T224 VanDerWaalsContact C-N 3.27Å; E222-T224 PolarHBondContact O-N 3.24Å; T224-K227 WeakPolarHBondContact O-CB 3.32Å; T224-K227 PolarHBondContact O-N 2.82Å; T224-E228 PolarHBondContact O-N 3.27Å; T224-E228 VanDerWaalsContact O-N 3.13Å
225	T	97.8	Very high	97.9	Very high	7 Å²	7	55.3 Å²	55.3	4%	0.043	30%	0.298	C	S	.	.	H	α-helix	trans	-61	-45.5	173.6	-58.5	0	0	0	0	111.2	E221 E222 K227 E228 V229 I308 R309 A311 P314	E221-T225 PolarHBondContact O-N 3.1Å; E221-T225 PolarHBondContact O-OG1 3.37Å; E222-T225 PolarHBondContact O-N 3.35Å; T225-K227 VanDerWaalsContact C-N 3.33Å; T225-K227 PolarHBondContact O-N 2.9Å; T225-E228 PolarHBondContact O-N 3.15Å; T225-V229 WeakPolarHBondContact O-CG2 3.44Å; T225-V229 PolarHBondContact O-N 2.81Å; T225-I308 HydrophobicContact CG2-CD1 4.13Å; T225-I308 HydrophobicContact CG2-CG1 4.32Å; T225-R309 HydrophobicContact CG2-CG 3.86Å; T225-A311 WeakPolarHBondContact OG1-CB 3.23Å; T225-P314 HydrophobicContact CG2-CB 4.22Å
226	W	98.4	Very high	97.9	Very high	0 Å²	0	51.3 Å²	51.3	0%	0	28%	0.28	C	S	.	.	H	α-helix	trans	-56.5	-47.8	173.7	167.5	-93.4	0	0	0	111.9	E222 E228 V229 Y230 S259 N262 I263 P264 I308 L326 L327	E222-W226 PolarHBondContact O-N 3.27Å; W226-E228 VanDerWaalsContact C-N 3.3Å; W226-E228 PolarHBondContact O-N 3.15Å; W226-V229 PolarHBondContact O-N 3.18Å; W226-Y230 AromaticContact CE2-CD2 3.67Å; W226-Y230 HydrophobicContact CH2-CD2 4.35Å; W226-Y230 AromaticContact CZ2-CD2 3.46Å; W226-Y230 HydrophobicContact CZ2-CD2 3.46Å; W226-Y230 VanDerWaalsContact CZ2-CD2 3.46Å; W226-Y230 AromaticContact CZ2-CE2 3.89Å; W226-Y230 HydrophobicContact CZ2-CE2 3.89Å; W226-Y230 AromaticContact NE1-CD2 3.73Å; W226-Y230 VanDerWaalsContact O-CB 3.23Å; W226-Y230 WeakPolarHBondContact O-CB 3.3Å; W226-Y230 PolarHBondContact O-N 3.09Å; W226-S259 PolarHBondContact NE1-O 3.08Å; W226-N262 PolarHBondContact NE1-O 3.29Å; W226-I263 HydrophobicContact CB-CD1 3.85Å; W226-I263 HydrophobicContact CB-CG1 3.58Å; W226-I263 HydrophobicContact CD2-CG1 3.91Å; W226-I263 HydrophobicContact CE3-CG1 4.3Å; W226-I263 HydrophobicContact CE3-CG2 4.29Å; W226-I263 HydrophobicContact CG-CD1 4.37Å; W226-I263 HydrophobicContact CG-CG1 3.58Å; W226-P264 HydrophobicContact CH2-CG 4.24Å; W226-P264 VanDerWaalsContact CZ2-CD 3.47Å; W226-P264 HydrophobicContact CZ2-CG 4.14Å; W226-I308 HydrophobicContact CB-CD1 3.8Å; W226-L326 HydrophobicContact CH2-CB 3.94Å; W226-L326 HydrophobicContact CH2-CD1 4.11Å; W226-L326 HydrophobicContact CZ3-CB 4.1Å; W226-L326 HydrophobicContact CZ3-CD1 4.02Å; W226-L327 HydrophobicContact CH2-CD1 4.25Å; W226-L327 HydrophobicContact CH2-CD2 3.6Å; W226-L327 HydrophobicContact CH2-CG 3.79Å; W226-L327 HydrophobicContact CZ2-CD2 3.99Å; W226-L327 HydrophobicContact CZ3-CD1 4.23Å; W226-L327 HydrophobicContact CZ3-CD2 4.34Å; W226-L327 HydrophobicContact CZ3-CG 4.03Å
227	K	98.2	Very high	97.9	Very high	81 Å²	81	51.2 Å²	51.2	35%	0.352	28%	0.279	S	S	.	.	H	α-helix	trans	-54.1	-47.3	179.8	-179.3	164.3	-176.2	165.2	0	112.2	T223 T224 T225 V229 Y230 S231 E260 N261	T223-K227 WeakPolarHBondContact O-CB 3.33Å; T223-K227 PolarHBondContact O-N 3.18Å; T224-K227 WeakPolarHBondContact O-CB 3.32Å; T224-K227 PolarHBondContact O-N 2.82Å; T225-K227 VanDerWaalsContact C-N 3.33Å; T225-K227 PolarHBondContact O-N 2.9Å; K227-V229 PolarHBondContact O-N 2.99Å; K227-Y230 PolarHBondContact O-N 3.11Å; K227-S231 WeakPolarHBondContact O-CB 3.47Å; K227-S231 PolarHBondContact O-N 2.84Å; K227-S231 PolarHBondContact O-OG 2.82Å; K227-E260 WeakPolarHBondContact CA-O 3.49Å; K227-E260 WeakPolarHBondContact CB-O 3.44Å; K227-E260 HydrophobicContact CD-CB 4.48Å; K227-E260 HydrophobicContact CG-CB 4.13Å; K227-E260 WeakPolarHBondContact CG-O 3.3Å; K227-N261 PolarHBondContact NZ-OD1 3.11Å
228	E	97.2	Very high	97.9	Very high	92 Å²	92	46.8 Å²	46.8	43%	0.43	27%	0.266	S	S	.	.	H	α-helix	trans	-61.5	-45	-178.8	-174.1	174.9	168.9	0	0	112	T224 T225 W226 T232 P314	T224-E228 PolarHBondContact O-N 3.27Å; T224-E228 VanDerWaalsContact O-N 3.13Å; T225-E228 PolarHBondContact O-N 3.15Å; W226-E228 VanDerWaalsContact C-N 3.3Å; W226-E228 PolarHBondContact O-N 3.15Å; E228-T232 WeakPolarHBondContact O-CB 3.22Å; E228-T232 PolarHBondContact O-N 2.75Å; E228-T232 PolarHBondContact O-OG1 2.79Å; E228-P314 VanDerWaalsContact CD-CG 3.45Å; E228-P314 HydrophobicContact CG-CB 4.4Å; E228-P314 HydrophobicContact CG-CG 4.5Å; E228-P314 VanDerWaalsContact OE1-CG 3.3Å; E228-P314 WeakPolarHBondContact OE1-CG 3.35Å; E228-P314 WeakPolarHBondContact OE2-CG 3.44Å
229	V	97.1	Very high	97.8	Very high	2 Å²	2	49.5 Å²	49.5	1%	0.012	29%	0.286	C	S	.	.	H	α-helix	trans	-66.3	-47.9	177.4	177.7	0	0	0	0	110.7	T225 W226 K227 T232 L233 P314 C323 L327	T225-V229 WeakPolarHBondContact O-CG2 3.44Å; T225-V229 PolarHBondContact O-N 2.81Å; W226-V229 PolarHBondContact O-N 3.18Å; K227-V229 PolarHBondContact O-N 2.99Å; V229-T232 PolarHBondContact O-N 2.76Å; V229-L233 HydrophobicContact CG1-CD1 3.58Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 WeakPolarHBondContact O-CB 3.16Å; V229-L233 WeakPolarHBondContact O-CG 3.49Å; V229-L233 PolarHBondContact O-N 3.44Å; V229-P314 HydrophobicContact CG2-CB 4.39Å; V229-P314 WeakPolarHBondContact CG2-O 3.34Å; V229-C323 HydrophobicContact CG1-CB 4.14Å; V229-L327 HydrophobicContact CG1-CD1 4.02Å
230	Y	98.3	Very high	97.8	Very high	1 Å²	1	48.1 Å²	48.1	0%	0.004	28%	0.276	C	S	.	.	H	α-helix	trans	-59.1	-53.7	-178.7	-169.7	-82.4	0	0	0	112	W226 K227 T232 L233 K234 F249 E253 Y258 E260 L327	W226-Y230 AromaticContact CE2-CD2 3.67Å; W226-Y230 HydrophobicContact CH2-CD2 4.35Å; W226-Y230 AromaticContact CZ2-CD2 3.46Å; W226-Y230 HydrophobicContact CZ2-CD2 3.46Å; W226-Y230 VanDerWaalsContact CZ2-CD2 3.46Å; W226-Y230 AromaticContact CZ2-CE2 3.89Å; W226-Y230 HydrophobicContact CZ2-CE2 3.89Å; W226-Y230 AromaticContact NE1-CD2 3.73Å; W226-Y230 VanDerWaalsContact O-CB 3.23Å; W226-Y230 WeakPolarHBondContact O-CB 3.3Å; W226-Y230 PolarHBondContact O-N 3.09Å; K227-Y230 PolarHBondContact O-N 3.11Å; Y230-T232 VanDerWaalsContact C-N 3.34Å; Y230-T232 PolarHBondContact O-N 3.07Å; Y230-L233 PolarHBondContact O-N 2.98Å; Y230-K234 HydrophobicContact CD1-CB 4.43Å; Y230-K234 HydrophobicContact CD1-CD 4.3Å; Y230-K234 HydrophobicContact CE1-CB 4.46Å; Y230-K234 HydrophobicContact CE1-CD 3.61Å; Y230-K234 WeakPolarHBondContact O-CB 3.49Å; Y230-K234 PolarHBondContact O-N 3.42Å; Y230-F249 HydrophobicContact CE1-CZ 4.48Å; Y230-F249 HydrophobicContact CE2-CE2 4.44Å; Y230-F249 AromaticContact CE2-CZ 3.67Å; Y230-F249 HydrophobicContact CE2-CZ 3.67Å; Y230-F249 AromaticContact CZ-CZ 3.62Å; Y230-F249 WeakPolarHBondContact OH-CE1 3.44Å; Y230-F249 WeakPolarHBondContact OH-CZ 3.37Å; Y230-E253 VanDerWaalsContact OH-CD 3.26Å; Y230-E253 WeakPolarHBondContact OH-CG 3.42Å; Y230-E253 PolarHBondContact OH-OE1 3.41Å; Y230-Y258 HydrophobicContact CE2-CD1 4.29Å; Y230-E260 HydrophobicContact CD1-CB 4.39Å; Y230-E260 HydrophobicContact CD1-CG 3.55Å; Y230-E260 HydrophobicContact CE1-CG 3.98Å; Y230-E260 HydrophobicContact CG-CG 4.5Å; Y230-L327 HydrophobicContact CD2-CD1 4.47Å; Y230-L327 HydrophobicContact CD2-CD2 3.7Å; Y230-L327 HydrophobicContact CE2-CD2 3.9Å
231	S	97.6	Very high	97.8	Very high	38 Å²	38	44.4 Å²	44.4	27%	0.266	25%	0.245	S	C	.	.	H	α-helix	trans	-62.7	-43	-177.5	-68.1	0	0	0	0	111.4	K227 S235 E260	K227-S231 WeakPolarHBondContact O-CB 3.47Å; K227-S231 PolarHBondContact O-N 2.84Å; K227-S231 PolarHBondContact O-OG 2.82Å; S231-S235 PolarHBondContact O-N 3.17Å; S231-E260 WeakPolarHBondContact OG-CG 3.39Å; S231-E260 PolarHBondContact OG-OE1 2.93Å
232	T	96.3	Very high	97.8	Very high	40 Å²	40	38.1 Å²	38.1	25%	0.245	22%	0.215	C	C	.	.	H	α-helix	trans	-63.2	-51.6	179.4	-57.4	0	0	0	0	111.3	E228 V229 Y230 S235 M315 Y390	E228-T232 WeakPolarHBondContact O-CB 3.22Å; E228-T232 PolarHBondContact O-N 2.75Å; E228-T232 PolarHBondContact O-OG1 2.79Å; V229-T232 PolarHBondContact O-N 2.76Å; Y230-T232 VanDerWaalsContact C-N 3.34Å; Y230-T232 PolarHBondContact O-N 3.07Å; T232-S235 PolarHBondContact O-N 3.3Å; T232-S235 PolarHBondContact O-OG 2.85Å; T232-M315 HydrophobicContact CG2-CE 3.46Å; T232-M315 VanDerWaalsContact CG2-CE 3.46Å; T232-Y390 HydrophobicContact CG2-CD2 3.43Å; T232-Y390 VanDerWaalsContact CG2-CD2 3.43Å; T232-Y390 HydrophobicContact CG2-CE2 4.06Å; T232-Y390 HydrophobicContact CG2-CG 3.95Å
233	L	97.2	Very high	97.8	Very high	2 Å²	2	43 Å²	43	1%	0.01	24%	0.237	C	C	.	.	H	α-helix	trans	-67.5	-40.8	-178.3	-70	168.5	0	0	0	112.5	V229 Y230 S235 L236 Y237 L327	V229-L233 HydrophobicContact CG1-CD1 3.58Å; V229-L233 HydrophobicContact CG1-CG 4.43Å; V229-L233 WeakPolarHBondContact O-CB 3.16Å; V229-L233 WeakPolarHBondContact O-CG 3.49Å; V229-L233 PolarHBondContact O-N 3.44Å; Y230-L233 PolarHBondContact O-N 2.98Å; L233-S235 PolarHBondContact O-N 3.47Å; L233-S235 VanDerWaalsContact O-N 3.16Å; L233-L236 WeakPolarHBondContact O-CB 3.33Å; L233-L236 PolarHBondContact O-N 3.43Å; L233-Y237 HydrophobicContact CB-CE1 3.87Å; L233-Y237 HydrophobicContact CB-CE2 4.16Å; L233-Y237 VanDerWaalsContact CB-OH 3.3Å; L233-Y237 WeakPolarHBondContact CB-OH 3.23Å; L233-Y237 WeakPolarHBondContact O-CD1 3.14Å; L233-Y237 PolarHBondContact O-N 3.03Å; L233-Y237 VanDerWaalsContact O-N 3.16Å; L233-L327 HydrophobicContact CD1-CD1 4.01Å
234	K	97.6	Very high	97.7	Very high	77 Å²	77	43.8 Å²	43.8	34%	0.335	24%	0.237	S	C	.	.	H	α-helix	trans	-57.3	-33.2	178.4	-175.8	172	-178.5	178.2	0	112.5	Y230 L236 Y237 P238 F249 E253	Y230-K234 HydrophobicContact CD1-CB 4.43Å; Y230-K234 HydrophobicContact CD1-CD 4.3Å; Y230-K234 HydrophobicContact CE1-CB 4.46Å; Y230-K234 HydrophobicContact CE1-CD 3.61Å; Y230-K234 WeakPolarHBondContact O-CB 3.49Å; Y230-K234 PolarHBondContact O-N 3.42Å; K234-L236 PolarHBondContact O-N 3.37Å; K234-Y237 HydrophobicContact CB-CD2 4.36Å; K234-Y237 HydrophobicContact CB-CE2 4.46Å; K234-P238 WeakPolarHBondContact O-CD 3.31Å; K234-F249 HydrophobicContact CD-CE1 4.35Å; K234-E253 IonicContact NZ-OE1 2.79Å; K234-E253 PolarHBondContact NZ-OE1 3.44Å; K234-E253 IonicContact NZ-OE2 3.53Å; K234-E253 PolarHBondContact NZ-OE2 3.4Å
235	S	97.4	Very high	97.8	Very high	84 Å²	84	39.6 Å²	39.6	59%	0.587	21%	0.212	S	C	*	.	H	α-helix	trans	-65.5	-25.4	175.7	79.8	0	0	0	0	113.6	S231 T232 L233	S231-S235 PolarHBondContact O-N 3.17Å; T232-S235 PolarHBondContact O-N 3.3Å; T232-S235 PolarHBondContact O-OG 2.85Å; L233-S235 PolarHBondContact O-N 3.47Å; L233-S235 VanDerWaalsContact O-N 3.16Å
236	L	97.3	Very high	97.8	Very high	21 Å²	21	41.6 Å²	41.6	11%	0.11	22%	0.222	C	C	.	.	H	α-helix	trans	-93.7	-28.6	-178	-64.1	-174.1	0	0	0	113.9	L233 K234 P238 T239 H240 Y390 L393 I394	L233-L236 WeakPolarHBondContact O-CB 3.33Å; L233-L236 PolarHBondContact O-N 3.43Å; K234-L236 PolarHBondContact O-N 3.37Å; L236-P238 VanDerWaalsContact C-CD 3.41Å; L236-T239 PolarHBondContact O-N 2.96Å; L236-T239 VanDerWaalsContact O-N 3.11Å; L236-T239 PolarHBondContact O-OG1 3.4Å; L236-T239 VanDerWaalsContact O-OG1 3.04Å; L236-H240 PolarHBondContact O-N 3.06Å; L236-H240 PolarHBondContact O-ND1 3.47Å; L236-Y390 HydrophobicContact CD1-CD2 3.37Å; L236-Y390 HydrophobicContact CD1-CE2 3.65Å; L236-Y390 HydrophobicContact CD1-CG 4.4Å; L236-Y390 HydrophobicContact CD2-CE2 4.43Å; L236-Y390 HydrophobicContact CG-CD2 4.29Å; L236-Y390 HydrophobicContact CG-CE2 4.34Å; L236-L393 HydrophobicContact CB-CD2 3.91Å; L236-L393 HydrophobicContact CD1-CD2 3.99Å; L236-I394 HydrophobicContact CD1-CD1 3.77Å; L236-I394 HydrophobicContact CD1-CG1 4.12Å; L236-I394 HydrophobicContact CD2-CD1 3.97Å
237	Y	98.4	Very high	97.8	Very high	5 Å²	5	46.4 Å²	46.4	2%	0.02	24%	0.244	C	C	.	.	H	α-helix	trans	-52.6	-42.9	-173.6	-61.9	-33.1	0	0	0	114.8	L233 K234 T239 H240 A241 Y245 F249 L387	L233-Y237 HydrophobicContact CB-CE1 3.87Å; L233-Y237 HydrophobicContact CB-CE2 4.16Å; L233-Y237 VanDerWaalsContact CB-OH 3.3Å; L233-Y237 WeakPolarHBondContact CB-OH 3.23Å; L233-Y237 WeakPolarHBondContact O-CD1 3.14Å; L233-Y237 PolarHBondContact O-N 3.03Å; L233-Y237 VanDerWaalsContact O-N 3.16Å; K234-Y237 HydrophobicContact CB-CD2 4.36Å; K234-Y237 HydrophobicContact CB-CE2 4.46Å; Y237-T239 PolarHBondContact O-N 2.75Å; Y237-T239 VanDerWaalsContact O-N 3.1Å; Y237-H240 PolarHBondContact O-N 3.35Å; Y237-A241 HydrophobicContact CD1-CB 4.3Å; Y237-A241 WeakPolarHBondContact O-CB 3.4Å; Y237-A241 PolarHBondContact O-N 3.09Å; Y237-Y245 AromaticContact CD1-CE1 3.95Å; Y237-Y245 HydrophobicContact CD1-CE1 3.95Å; Y237-Y245 AromaticContact CD2-CE1 3.76Å; Y237-Y245 HydrophobicContact CD2-CE1 3.76Å; Y237-Y245 HydrophobicContact CE1-CE1 4.08Å; Y237-Y245 AromaticContact CE2-CE1 3.93Å; Y237-Y245 HydrophobicContact CE2-CE1 3.93Å; Y237-Y245 VanDerWaalsContact CE2-OH 3.31Å; Y237-Y245 WeakPolarHBondContact CE2-OH 3.5Å; Y237-Y245 AromaticContact CG-CE1 3.79Å; Y237-Y245 HydrophobicContact CG-CE1 3.79Å; Y237-Y245 AromaticContact CZ-CZ 3.89Å; Y237-Y245 PolarHBondContact OH-OH 2.89Å; Y237-Y245 VanDerWaalsContact OH-OH 3.14Å; Y237-F249 HydrophobicContact CD2-CZ 4.45Å; Y237-F249 HydrophobicContact CE2-CD2 4.41Å; Y237-F249 AromaticContact CE2-CE2 3.91Å; Y237-F249 HydrophobicContact CE2-CE2 3.91Å; Y237-F249 AromaticContact CE2-CZ 3.96Å; Y237-F249 HydrophobicContact CE2-CZ 3.96Å; Y237-L387 HydrophobicContact CD1-CD2 4.18Å; Y237-L387 HydrophobicContact CE1-CB 4.45Å; Y237-L387 HydrophobicContact CE1-CD2 4.16Å; Y237-L387 WeakPolarHBondContact CE1-O 3.42Å; Y237-L387 PolarHBondContact OH-O 2.92Å
238	P	97.6	Very high	97.8	Very high	86 Å²	86	42.7 Å²	42.7	56%	0.558	23%	0.229	S	C	*	.	H	α-helix	trans	-57.2	-31.3	-178.7	-26.5	35.8	0	0	0	114	K234 L236	K234-P238 WeakPolarHBondContact O-CD 3.31Å; L236-P238 VanDerWaalsContact C-CD 3.41Å
239	T	96.8	Very high	97.9	Very high	91 Å²	91	38.6 Å²	38.6	56%	0.558	21%	0.21	S	C	*	.	H	α-helix	trans	-98.9	-25.4	-177.5	47	0	0	0	0	113.2	L236 Y237 K380	L236-T239 PolarHBondContact O-N 2.96Å; L236-T239 VanDerWaalsContact O-N 3.11Å; L236-T239 PolarHBondContact O-OG1 3.4Å; L236-T239 VanDerWaalsContact O-OG1 3.04Å; Y237-T239 PolarHBondContact O-N 2.75Å; Y237-T239 VanDerWaalsContact O-N 3.1Å; T239-K380 PolarHBondContact O-NZ 3.33Å
240	H	98.2	Very high	97.9	Very high	34 Å²	34	43.3 Å²	43.3	16%	0.157	24%	0.235	C	C	.	.	H	α-helix	trans	-110.4	-35.5	-171.8	-60.2	74.2	0	0	0	113.9	L236 Y237 K380 A381 L393 I394 L397	L236-H240 PolarHBondContact O-N 3.06Å; L236-H240 PolarHBondContact O-ND1 3.47Å; Y237-H240 PolarHBondContact O-N 3.35Å; H240-K380 WeakPolarHBondContact O-CA 3.34Å; H240-A381 PolarHBondContact O-N 3.19Å; H240-L393 HydrophobicContact CB-CD1 3.74Å; H240-L393 HydrophobicContact CB-CD2 3.9Å; H240-L393 HydrophobicContact CB-CG 3.76Å; H240-I394 WeakPolarHBondContact NE2-CD1 3.48Å; H240-L397 HydrophobicContact CB-CD1 3.8Å
241	A	98.5	Very high	97.9	Very high	1 Å²	1	45.6 Å²	45.6	1%	0.008	25%	0.247	C	C	.	.	B	Isolated β-bridge	trans	-80.3	153.5	-174.8	0	0	0	0	0	112.5	Y237 Y245 L246 L387	Y237-A241 HydrophobicContact CD1-CB 4.3Å; Y237-A241 WeakPolarHBondContact O-CB 3.4Å; Y237-A241 PolarHBondContact O-N 3.09Å; A241-Y245 HydrophobicContact CB-CD1 3.65Å; A241-Y245 HydrophobicContact CB-CE1 4.32Å; A241-Y245 HydrophobicContact CB-CG 4.12Å; A241-L246 HydrophobicContact CB-CD2 4.32Å; A241-L246 HydrophobicContact CB-CG 4.37Å; A241-L387 HydrophobicContact CB-CD2 3.58Å
242	C	98.3	Very high	98	Very high	0 Å²	0	43.8 Å²	43.8	0%	0	23%	0.234	C	C	.	.			trans	-68.6	158.3	172.8	71.1	0	0	0	0	111.9	E244 Y245 L246 M332 C373 K380 A381	C242-E244 VanDerWaalsContact C-N 3.34Å; C242-E244 PolarHBondContact O-N 2.81Å; C242-Y245 WeakPolarHBondContact O-CB 3.46Å; C242-Y245 PolarHBondContact O-N 3Å; C242-L246 PolarHBondContact O-N 3.04Å; C242-M332 VanDerWaalsContact SG-SD 3.67Å; C242-C373 VanDerWaalsContact CB-SG 3.56Å; C242-K380 HydrophobicContact CB-CB 4.12Å; C242-A381 PolarHBondContact N-O 3.11Å
243	K	98.1	Very high	98.1	Very high	120 Å²	120	44.5 Å²	44.5	52%	0.522	24%	0.235	S	C	.	.	H	α-helix	trans	-56.3	-43.6	-179.6	-179	-176.5	163.8	-172.5	0	113.4	Y245 L246 E247	K243-Y245 VanDerWaalsContact C-N 3.31Å; K243-Y245 PolarHBondContact O-N 3.1Å; K243-L246 PolarHBondContact O-N 2.82Å; K243-L246 VanDerWaalsContact O-N 3.17Å; K243-E247 WeakPolarHBondContact CE-OE1 3.38Å; K243-E247 HydrophobicContact CG-CG 4.41Å; K243-E247 IonicContact NZ-OE1 3.79Å; K243-E247 WeakPolarHBondContact O-CG 3.37Å; K243-E247 PolarHBondContact O-N 2.87Å
244	E	98.1	Very high	98.1	Very high	49 Å²	49	51.3 Å²	51.3	23%	0.229	26%	0.264	C	S	.	.	H	α-helix	trans	-61.2	-41.6	-177.3	-67.3	78.3	178	0	0	111	C242 E247 A248 M332 D335 Q375 F431	C242-E244 VanDerWaalsContact C-N 3.34Å; C242-E244 PolarHBondContact O-N 2.81Å; E244-E247 PolarHBondContact O-N 3.39Å; E244-A248 WeakPolarHBondContact O-CB 3.39Å; E244-A248 PolarHBondContact O-N 3.23Å; E244-M332 HydrophobicContact CB-CE 4.39Å; E244-D335 HydrophobicContact CB-CB 4.37Å; E244-Q375 PolarHBondContact OE2-NE2 2.84Å; E244-F431 HydrophobicContact CB-CE2 4.18Å; E244-F431 HydrophobicContact CG-CD2 4.26Å; E244-F431 HydrophobicContact CG-CE2 3.83Å
245	Y	98.6	Very high	98.1	Very high	0 Å²	0	54.3 Å²	54.3	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-58.2	-51.6	172.7	-179.8	-86.4	0	0	0	111.4	Y237 A241 C242 K243 E247 A248 F249 L327 P331 M332 L387	Y237-Y245 AromaticContact CD1-CE1 3.95Å; Y237-Y245 HydrophobicContact CD1-CE1 3.95Å; Y237-Y245 AromaticContact CD2-CE1 3.76Å; Y237-Y245 HydrophobicContact CD2-CE1 3.76Å; Y237-Y245 HydrophobicContact CE1-CE1 4.08Å; Y237-Y245 AromaticContact CE2-CE1 3.93Å; Y237-Y245 HydrophobicContact CE2-CE1 3.93Å; Y237-Y245 VanDerWaalsContact CE2-OH 3.31Å; Y237-Y245 WeakPolarHBondContact CE2-OH 3.5Å; Y237-Y245 AromaticContact CG-CE1 3.79Å; Y237-Y245 HydrophobicContact CG-CE1 3.79Å; Y237-Y245 AromaticContact CZ-CZ 3.89Å; Y237-Y245 PolarHBondContact OH-OH 2.89Å; Y237-Y245 VanDerWaalsContact OH-OH 3.14Å; A241-Y245 HydrophobicContact CB-CD1 3.65Å; A241-Y245 HydrophobicContact CB-CE1 4.32Å; A241-Y245 HydrophobicContact CB-CG 4.12Å; C242-Y245 WeakPolarHBondContact O-CB 3.46Å; C242-Y245 PolarHBondContact O-N 3Å; K243-Y245 VanDerWaalsContact C-N 3.31Å; K243-Y245 PolarHBondContact O-N 3.1Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-E247 PolarHBondContact O-N 3.15Å; Y245-A248 PolarHBondContact O-N 2.74Å; Y245-F249 HydrophobicContact CD1-CB 4.42Å; Y245-F249 HydrophobicContact CE1-CB 4.13Å; Y245-F249 AromaticContact CE1-CD2 3.94Å; Y245-F249 HydrophobicContact CE1-CD2 3.94Å; Y245-F249 HydrophobicContact CE1-CG 4.18Å; Y245-F249 AromaticContact CZ-CD2 3.86Å; Y245-F249 VanDerWaalsContact O-CB 3.28Å; Y245-F249 WeakPolarHBondContact O-CB 3.48Å; Y245-F249 PolarHBondContact O-N 2.73Å; Y245-F249 WeakPolarHBondContact OH-CD2 3.34Å; Y245-L327 WeakPolarHBondContact CE2-O 3.17Å; Y245-L327 VanDerWaalsContact CZ-O 3.31Å; Y245-L327 PolarHBondContact OH-O 3.44Å; Y245-P331 HydrophobicContact CD2-CB 3.53Å; Y245-P331 HydrophobicContact CD2-CG 4.03Å; Y245-P331 HydrophobicContact CE2-CB 3.52Å; Y245-P331 HydrophobicContact CE2-CG 3.45Å; Y245-P331 VanDerWaalsContact CE2-CG 3.45Å; Y245-P331 HydrophobicContact CG-CB 4.23Å; Y245-M332 HydrophobicContact CD2-CG 4.26Å; Y245-M332 HydrophobicContact CD2-SD 4.32Å; Y245-L387 HydrophobicContact CD1-CD2 4.47Å; Y245-L387 HydrophobicContact CD2-CD1 3.38Å; Y245-L387 HydrophobicContact CD2-CD2 4.29Å; Y245-L387 HydrophobicContact CD2-CG 4.32Å; Y245-L387 HydrophobicContact CE1-CD2 4.47Å; Y245-L387 HydrophobicContact CE2-CB 4.07Å; Y245-L387 HydrophobicContact CE2-CD1 3.58Å; Y245-L387 HydrophobicContact CE2-CD2 4.26Å; Y245-L387 HydrophobicContact CE2-CG 4.19Å; Y245-L387 HydrophobicContact CG-CD1 4.1Å; Y245-L387 HydrophobicContact CG-CD2 4.39Å
246	L	98.6	Very high	98.1	Very high	49 Å²	49	50.7 Å²	50.7	26%	0.257	25%	0.249	S	C	.	.	H	α-helix	trans	-61.6	-40.9	-177.3	-66.6	173.2	0	0	0	112.2	A241 C242 K243 N250	A241-L246 HydrophobicContact CB-CD2 4.32Å; A241-L246 HydrophobicContact CB-CG 4.37Å; C242-L246 PolarHBondContact O-N 3.04Å; K243-L246 PolarHBondContact O-N 2.82Å; K243-L246 VanDerWaalsContact O-N 3.17Å; L246-N250 VanDerWaalsContact O-CG 3.27Å; L246-N250 PolarHBondContact O-N 3.01Å; L246-N250 VanDerWaalsContact O-N 3.14Å; L246-N250 PolarHBondContact O-ND2 3.3Å
247	E	98.3	Very high	98.1	Very high	101 Å²	101	51.3 Å²	51.3	47%	0.472	26%	0.26	S	S	.	.	H	α-helix	trans	-63.7	-45.1	176.3	-72.3	-178.9	167.3	0	0	111.8	K243 E244 Y245 L251	K243-E247 WeakPolarHBondContact CE-OE1 3.38Å; K243-E247 HydrophobicContact CG-CG 4.41Å; K243-E247 IonicContact NZ-OE1 3.79Å; K243-E247 WeakPolarHBondContact O-CG 3.37Å; K243-E247 PolarHBondContact O-N 2.87Å; E244-E247 PolarHBondContact O-N 3.39Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-E247 PolarHBondContact O-N 3.15Å; E247-L251 WeakPolarHBondContact O-CD1 3.36Å; E247-L251 WeakPolarHBondContact O-CG 3.41Å
248	A	98.2	Very high	98.1	Very high	3 Å²	3	51.2 Å²	51.2	3%	0.025	26%	0.26	C	S	.	.	H	α-helix	trans	-66.1	-43.8	176.7	0	0	0	0	0	112.3	E244 Y245 N250 L251 L252 P331 A334	E244-A248 WeakPolarHBondContact O-CB 3.39Å; E244-A248 PolarHBondContact O-N 3.23Å; Y245-A248 PolarHBondContact O-N 2.74Å; A248-N250 PolarHBondContact O-N 2.88Å; A248-L251 WeakPolarHBondContact O-CB 3.38Å; A248-L251 PolarHBondContact O-N 2.99Å; A248-L252 WeakPolarHBondContact O-CG 3.16Å; A248-L252 PolarHBondContact O-N 3.47Å; A248-P331 HydrophobicContact CB-CB 4.04Å; A248-P331 WeakPolarHBondContact CB-O 3.26Å; A248-A334 HydrophobicContact CB-CB 3.97Å
249	F	98.6	Very high	98.1	Very high	6 Å²	6	49.1 Å²	49.1	3%	0.026	25%	0.248	C	C	.	.	H	α-helix	trans	-59.2	-45	-179.4	-165.1	-92.1	0	0	0	111.9	Y230 K234 Y237 Y245 L251 L252 E253 Y258 L327 P331	Y230-F249 HydrophobicContact CE1-CZ 4.48Å; Y230-F249 HydrophobicContact CE2-CE2 4.44Å; Y230-F249 AromaticContact CE2-CZ 3.67Å; Y230-F249 HydrophobicContact CE2-CZ 3.67Å; Y230-F249 AromaticContact CZ-CZ 3.62Å; Y230-F249 WeakPolarHBondContact OH-CE1 3.44Å; Y230-F249 WeakPolarHBondContact OH-CZ 3.37Å; K234-F249 HydrophobicContact CD-CE1 4.35Å; Y237-F249 HydrophobicContact CD2-CZ 4.45Å; Y237-F249 HydrophobicContact CE2-CD2 4.41Å; Y237-F249 AromaticContact CE2-CE2 3.91Å; Y237-F249 HydrophobicContact CE2-CE2 3.91Å; Y237-F249 AromaticContact CE2-CZ 3.96Å; Y237-F249 HydrophobicContact CE2-CZ 3.96Å; Y245-F249 HydrophobicContact CD1-CB 4.42Å; Y245-F249 HydrophobicContact CE1-CB 4.13Å; Y245-F249 AromaticContact CE1-CD2 3.94Å; Y245-F249 HydrophobicContact CE1-CD2 3.94Å; Y245-F249 HydrophobicContact CE1-CG 4.18Å; Y245-F249 AromaticContact CZ-CD2 3.86Å; Y245-F249 VanDerWaalsContact O-CB 3.28Å; Y245-F249 WeakPolarHBondContact O-CB 3.48Å; Y245-F249 PolarHBondContact O-N 2.73Å; Y245-F249 WeakPolarHBondContact OH-CD2 3.34Å; F249-L251 PolarHBondContact O-N 3.33Å; F249-L252 WeakPolarHBondContact O-CB 3.45Å; F249-L252 PolarHBondContact O-N 2.9Å; F249-L252 VanDerWaalsContact O-N 3.09Å; F249-E253 HydrophobicContact CD1-CG 4.08Å; F249-E253 HydrophobicContact CE1-CG 3.9Å; F249-E253 PolarHBondContact O-N 3.36Å; F249-Y258 HydrophobicContact CE2-CD1 4.06Å; F249-Y258 HydrophobicContact CE2-CE1 4.42Å; F249-Y258 HydrophobicContact CZ-CD1 4.44Å; F249-L327 HydrophobicContact CE2-CD2 3.87Å; F249-L327 HydrophobicContact CZ-CD2 4.32Å; F249-P331 HydrophobicContact CD2-CG 4.1Å
250	N	98.4	Very high	98.1	Very high	101 Å²	101	48.2 Å²	48.2	54%	0.54	24%	0.237	S	C	.	.	H	α-helix	trans	-58	-33.4	175.1	-73.6	-33.9	0	0	0	112.9	L246 A248 K254	L246-N250 VanDerWaalsContact O-CG 3.27Å; L246-N250 PolarHBondContact O-N 3.01Å; L246-N250 VanDerWaalsContact O-N 3.14Å; L246-N250 PolarHBondContact O-ND2 3.3Å; A248-N250 PolarHBondContact O-N 2.88Å; N250-K254 PolarHBondContact O-N 3.27Å
251	L	98.4	Very high	98.1	Very high	50 Å²	50	51.7 Å²	51.7	26%	0.262	26%	0.257	S	S	.	.	H	α-helix	trans	-77.8	-35.3	178.5	-62	164.4	0	0	0	111.1	E247 A248 F249 K254 Y255 F272	E247-L251 WeakPolarHBondContact O-CD1 3.36Å; E247-L251 WeakPolarHBondContact O-CG 3.41Å; A248-L251 WeakPolarHBondContact O-CB 3.38Å; A248-L251 PolarHBondContact O-N 2.99Å; F249-L251 PolarHBondContact O-N 3.33Å; L251-K254 PolarHBondContact O-N 3.48Å; L251-Y255 HydrophobicContact CB-CD2 4.3Å; L251-Y255 HydrophobicContact CD2-CD2 4.38Å; L251-Y255 HydrophobicContact CD2-CE2 3.8Å; L251-Y255 WeakPolarHBondContact O-CB 3.14Å; L251-Y255 WeakPolarHBondContact O-CD2 3.38Å; L251-Y255 PolarHBondContact O-N 3.31Å; L251-F272 HydrophobicContact CB-CE2 4.18Å; L251-F272 HydrophobicContact CB-CZ 3.9Å
252	L	98.4	Very high	98.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	28%	0.275	C	S	.	.	H	α-helix	trans	-64.8	-40.3	173.4	-69	165.1	0	0	0	111.6	A248 F249 K254 C256 Y258 F272 V330 P331	A248-L252 WeakPolarHBondContact O-CG 3.16Å; A248-L252 PolarHBondContact O-N 3.47Å; F249-L252 WeakPolarHBondContact O-CB 3.45Å; F249-L252 PolarHBondContact O-N 2.9Å; F249-L252 VanDerWaalsContact O-N 3.09Å; L252-K254 VanDerWaalsContact C-N 3.27Å; L252-K254 PolarHBondContact O-N 2.97Å; L252-C256 HydrophobicContact CD2-CB 4.01Å; L252-C256 CarbonylContact O-C 3.55Å; L252-C256 WeakPolarHBondContact O-CA 3.09Å; L252-C256 WeakPolarHBondContact O-CB 3.45Å; L252-C256 PolarHBondContact O-N 3.48Å; L252-Y258 HydrophobicContact CB-CD1 4.09Å; L252-Y258 HydrophobicContact CB-CD2 3.74Å; L252-Y258 HydrophobicContact CB-CE1 4.27Å; L252-Y258 HydrophobicContact CB-CE2 3.93Å; L252-Y258 HydrophobicContact CB-CG 3.84Å; L252-Y258 HydrophobicContact CD1-CE1 4.15Å; L252-Y258 HydrophobicContact CD1-CE2 4.45Å; L252-Y258 HydrophobicContact CD2-CD2 4.49Å; L252-Y258 HydrophobicContact CD2-CE2 3.94Å; L252-Y258 HydrophobicContact CG-CE2 4.33Å; L252-Y258 PolarHBondContact O-N 3.12Å; L252-F272 HydrophobicContact CD2-CD1 3.57Å; L252-F272 HydrophobicContact CD2-CE1 3.46Å; L252-F272 VanDerWaalsContact CD2-CE1 3.46Å; L252-F272 HydrophobicContact CD2-CG 4.4Å; L252-F272 HydrophobicContact CD2-CZ 4.21Å; L252-F272 HydrophobicContact CG-CE1 3.99Å; L252-F272 HydrophobicContact CG-CZ 4.42Å; L252-V330 HydrophobicContact CD1-CG1 3.84Å; L252-V330 HydrophobicContact CD2-CG1 3.9Å; L252-P331 HydrophobicContact CD1-CB 4.03Å; L252-P331 HydrophobicContact CD1-CG 3.72Å
253	E	98.3	Very high	98.1	Very high	55 Å²	55	55.2 Å²	55.2	26%	0.257	28%	0.275	S	S	.	.	H	α-helix	trans	-59.8	-40	172	-66.6	-157	112.3	0	0	111.6	Y230 K234 F249 Y258	Y230-E253 VanDerWaalsContact OH-CD 3.26Å; Y230-E253 WeakPolarHBondContact OH-CG 3.42Å; Y230-E253 PolarHBondContact OH-OE1 3.41Å; K234-E253 IonicContact NZ-OE1 2.79Å; K234-E253 PolarHBondContact NZ-OE1 3.44Å; K234-E253 IonicContact NZ-OE2 3.53Å; K234-E253 PolarHBondContact NZ-OE2 3.4Å; F249-E253 HydrophobicContact CD1-CG 4.08Å; F249-E253 HydrophobicContact CE1-CG 3.9Å; F249-E253 PolarHBondContact O-N 3.36Å; E253-Y258 WeakPolarHBondContact CA-O 3.39Å
254	K	97.9	Very high	98.1	Very high	144 Å²	144	49.5 Å²	49.5	63%	0.626	25%	0.251	S	S	*	.	H	α-helix	trans	-76.2	-37.1	-176.2	-170.5	174.1	177.3	-166.8	0	113.8	N250 L251 L252	N250-K254 PolarHBondContact O-N 3.27Å; L251-K254 PolarHBondContact O-N 3.48Å; L252-K254 VanDerWaalsContact C-N 3.27Å; L252-K254 PolarHBondContact O-N 2.97Å
255	Y	97.9	Very high	98.1	Very high	141 Å²	141	48.8 Å²	48.8	55%	0.553	25%	0.247	S	C	*	.	H	α-helix	trans	-120.5	-17	-166.5	-57.7	-62.6	0	0	0	114.9	L251 F272	L251-Y255 HydrophobicContact CB-CD2 4.3Å; L251-Y255 HydrophobicContact CD2-CD2 4.38Å; L251-Y255 HydrophobicContact CD2-CE2 3.8Å; L251-Y255 WeakPolarHBondContact O-CB 3.14Å; L251-Y255 WeakPolarHBondContact O-CD2 3.38Å; L251-Y255 PolarHBondContact O-N 3.31Å; Y255-F272 HydrophobicContact CD2-CE2 4.37Å
256	C	97.7	Very high	98.1	Very high	7 Å²	7	48.8 Å²	48.8	5%	0.047	25%	0.247	C	C	.	.	S	Bend	trans	-118.3	9.5	-173.3	-60	0	0	0	0	113.5	L252 Y258 V269 F272	L252-C256 HydrophobicContact CD2-CB 4.01Å; L252-C256 CarbonylContact O-C 3.55Å; L252-C256 WeakPolarHBondContact O-CA 3.09Å; L252-C256 WeakPolarHBondContact O-CB 3.45Å; L252-C256 PolarHBondContact O-N 3.48Å; C256-Y258 VanDerWaalsContact C-N 3.3Å; C256-Y258 HydrophobicContact CB-CD2 3.91Å; C256-Y258 HydrophobicContact CB-CE2 4.08Å; C256-Y258 PolarHBondContact O-N 2.81Å; C256-V269 HydrophobicContact CB-CG2 4.12Å; C256-F272 WeakPolarHBondContact SG-CB 3.21Å; C256-F272 WeakPolarHBondContact SG-CG 3.49Å
257	G	95.8	Very high	98.1	Very high	34 Å²	34	48.1 Å²	48.1	35%	0.351	24%	0.243	S	C	.	.			trans	72.9	19.3	176.5	0	0	0	0	0	114.5	S259 N262	G257-S259 PolarHBondContact O-N 3.3Å; G257-S259 VanDerWaalsContact O-N 3.17Å; G257-N262 PolarHBondContact O-ND2 3.23Å
258	Y	98.5	Very high	98.1	Very high	4 Å²	4	46.1 Å²	46.1	2%	0.016	23%	0.233	C	C	.	.			trans	-65	115.7	172.2	-81.5	-127	0	0	0	109.2	Y230 F249 L252 E253 C256 P264 V269 L326 L327 V330	Y230-Y258 HydrophobicContact CE2-CD1 4.29Å; F249-Y258 HydrophobicContact CE2-CD1 4.06Å; F249-Y258 HydrophobicContact CE2-CE1 4.42Å; F249-Y258 HydrophobicContact CZ-CD1 4.44Å; L252-Y258 HydrophobicContact CB-CD1 4.09Å; L252-Y258 HydrophobicContact CB-CD2 3.74Å; L252-Y258 HydrophobicContact CB-CE1 4.27Å; L252-Y258 HydrophobicContact CB-CE2 3.93Å; L252-Y258 HydrophobicContact CB-CG 3.84Å; L252-Y258 HydrophobicContact CD1-CE1 4.15Å; L252-Y258 HydrophobicContact CD1-CE2 4.45Å; L252-Y258 HydrophobicContact CD2-CD2 4.49Å; L252-Y258 HydrophobicContact CD2-CE2 3.94Å; L252-Y258 HydrophobicContact CG-CE2 4.33Å; L252-Y258 PolarHBondContact O-N 3.12Å; E253-Y258 WeakPolarHBondContact CA-O 3.39Å; C256-Y258 VanDerWaalsContact C-N 3.3Å; C256-Y258 HydrophobicContact CB-CD2 3.91Å; C256-Y258 HydrophobicContact CB-CE2 4.08Å; C256-Y258 PolarHBondContact O-N 2.81Å; Y258-P264 HydrophobicContact CD1-CG 4.28Å; Y258-P264 HydrophobicContact CD2-CB 3.8Å; Y258-P264 HydrophobicContact CD2-CG 3.2Å; Y258-P264 HydrophobicContact CE1-CG 4.39Å; Y258-P264 HydrophobicContact CE2-CB 3.62Å; Y258-P264 HydrophobicContact CE2-CG 3.34Å; Y258-P264 HydrophobicContact CG-CG 3.7Å; Y258-V269 HydrophobicContact CE2-CG2 3.89Å; Y258-L326 HydrophobicContact CE1-CB 4.36Å; Y258-L326 WeakPolarHBondContact CE1-O 3.42Å; Y258-L326 WeakPolarHBondContact OH-CA 3.39Å; Y258-L326 WeakPolarHBondContact OH-CB 3.29Å; Y258-L326 PolarHBondContact OH-O 2.99Å; Y258-L327 HydrophobicContact CD1-CD2 4.28Å; Y258-L327 HydrophobicContact CE1-CD2 4.16Å; Y258-V330 WeakPolarHBondContact OH-CG1 3.35Å
259	S	98.1	Very high	98.2	Very high	42 Å²	42	46 Å²	46	29%	0.294	23%	0.232	S	C	.	.	B	Isolated β-bridge	trans	-159.9	165.3	173.1	73.2	0	0	0	0	110.2	W226 G257 N261 N262	W226-S259 PolarHBondContact NE1-O 3.08Å; G257-S259 PolarHBondContact O-N 3.3Å; G257-S259 VanDerWaalsContact O-N 3.17Å; S259-N261 PolarHBondContact O-N 3.03Å; S259-N261 VanDerWaalsContact O-N 3.13Å; S259-N261 PolarHBondContact OG-N 2.79Å; S259-N262 PolarHBondContact O-N 3.32Å; S259-N262 VanDerWaalsContact O-O 3.09Å; S259-N262 WeakPolarHBondContact OG-CB 3.43Å; S259-N262 PolarHBondContact OG-N 3.47Å
260	E	97.4	Very high	98.2	Very high	72 Å²	72	46.2 Å²	46.2	34%	0.336	24%	0.235	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.4	-25.7	175.3	-69.7	-176.5	172.3	0	0	114.2	K227 Y230 S231	K227-E260 WeakPolarHBondContact CA-O 3.49Å; K227-E260 WeakPolarHBondContact CB-O 3.44Å; K227-E260 HydrophobicContact CD-CB 4.48Å; K227-E260 HydrophobicContact CG-CB 4.13Å; K227-E260 WeakPolarHBondContact CG-O 3.3Å; Y230-E260 HydrophobicContact CD1-CB 4.39Å; Y230-E260 HydrophobicContact CD1-CG 3.55Å; Y230-E260 HydrophobicContact CE1-CG 3.98Å; Y230-E260 HydrophobicContact CG-CG 4.5Å; S231-E260 WeakPolarHBondContact OG-CG 3.39Å; S231-E260 PolarHBondContact OG-OE1 2.93Å
261	N	97.4	Very high	98.2	Very high	106 Å²	106	46.9 Å²	46.9	57%	0.567	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-112.6	13.5	-173.2	-49.2	-65.7	0	0	0	112.7	K227 S259	K227-N261 PolarHBondContact NZ-OD1 3.11Å; S259-N261 PolarHBondContact O-N 3.03Å; S259-N261 VanDerWaalsContact O-N 3.13Å; S259-N261 PolarHBondContact OG-N 2.79Å
262	N	98.1	Very high	98.2	Very high	74 Å²	74	45.3 Å²	45.3	40%	0.396	22%	0.221	S	C	.	.	B	Isolated β-bridge	trans	-148.3	121.9	-179.7	-177.1	69.6	0	0	0	110.8	W226 G257 S259 P264	W226-N262 PolarHBondContact NE1-O 3.29Å; G257-N262 PolarHBondContact O-ND2 3.23Å; S259-N262 PolarHBondContact O-N 3.32Å; S259-N262 VanDerWaalsContact O-O 3.09Å; S259-N262 WeakPolarHBondContact OG-CB 3.43Å; S259-N262 PolarHBondContact OG-N 3.47Å; N262-P264 WeakPolarHBondContact O-CD 3.5Å
263	I	98.7	Very high	98.2	Very high	2 Å²	2	45.3 Å²	45.3	1%	0.01	22%	0.221	C	C	.	.	P	Polyproline II helix	trans	-78.9	120.8	169.3	-55.9	176.4	0	0	0	107.8	Y218 E222 W226 I308 L326	Y218-I263 HydrophobicContact CD1-CD1 3.75Å; Y218-I263 HydrophobicContact CD2-CB 3.67Å; Y218-I263 HydrophobicContact CD2-CD1 4.07Å; Y218-I263 HydrophobicContact CD2-CG1 4.37Å; Y218-I263 HydrophobicContact CD2-CG2 3.96Å; Y218-I263 HydrophobicContact CE1-CD1 4.21Å; Y218-I263 HydrophobicContact CE1-CG2 4.28Å; Y218-I263 HydrophobicContact CE2-CB 3.72Å; Y218-I263 HydrophobicContact CE2-CD1 4.48Å; Y218-I263 HydrophobicContact CE2-CG2 3.48Å; Y218-I263 VanDerWaalsContact CE2-CG2 3.48Å; Y218-I263 HydrophobicContact CG-CB 4.21Å; Y218-I263 HydrophobicContact CG-CD1 3.67Å; Y218-I263 HydrophobicContact CG-CG1 4.43Å; E222-I263 HydrophobicContact CB-CD1 4.37Å; W226-I263 HydrophobicContact CB-CD1 3.85Å; W226-I263 HydrophobicContact CB-CG1 3.58Å; W226-I263 HydrophobicContact CD2-CG1 3.91Å; W226-I263 HydrophobicContact CE3-CG1 4.3Å; W226-I263 HydrophobicContact CE3-CG2 4.29Å; W226-I263 HydrophobicContact CG-CD1 4.37Å; W226-I263 HydrophobicContact CG-CG1 3.58Å; I263-I308 HydrophobicContact CD1-CD1 3.94Å; I263-L326 HydrophobicContact CG2-CD1 4.25Å
264	P	98.6	Very high	98.2	Very high	0 Å²	0	48 Å²	48	0%	0	23%	0.232	C	C	.	.	P	Polyproline II helix	trans	-58.5	142.2	177.1	-23.5	32.8	0	0	0	112.6	W226 Y258 N262 V269 L326	W226-P264 HydrophobicContact CH2-CG 4.24Å; W226-P264 VanDerWaalsContact CZ2-CD 3.47Å; W226-P264 HydrophobicContact CZ2-CG 4.14Å; Y258-P264 HydrophobicContact CD1-CG 4.28Å; Y258-P264 HydrophobicContact CD2-CB 3.8Å; Y258-P264 HydrophobicContact CD2-CG 3.2Å; Y258-P264 HydrophobicContact CE1-CG 4.39Å; Y258-P264 HydrophobicContact CE2-CB 3.62Å; Y258-P264 HydrophobicContact CE2-CG 3.34Å; Y258-P264 HydrophobicContact CG-CG 3.7Å; N262-P264 WeakPolarHBondContact O-CD 3.5Å; P264-V269 HydrophobicContact CB-CG2 3.85Å; P264-L326 HydrophobicContact CB-CD1 4.13Å; P264-L326 HydrophobicContact CG-CD1 4.22Å
265	Q	98.6	Very high	98.2	Very high	33 Å²	33	49.1 Å²	49.1	15%	0.154	24%	0.239	C	C	.	.	P	Polyproline II helix	trans	-86.6	139.8	173.2	-65.7	-61.8	-35.7	0	0	109.9	H215 V216 E267 E268 V269	H215-Q265 VanDerWaalsContact CA-OE1 3.27Å; V216-Q265 PolarHBondContact O-NE2 3.43Å; Q265-E267 VanDerWaalsContact C-N 3.25Å; Q265-E267 PolarHBondContact O-N 3.25Å; Q265-E268 WeakPolarHBondContact CB-OE2 3.34Å; Q265-E268 PolarHBondContact O-N 3.5Å; Q265-V269 WeakPolarHBondContact O-CG2 3.49Å; Q265-V269 PolarHBondContact O-N 3.18Å
266	L	98.7	Very high	98.2	Very high	1 Å²	1	46.6 Å²	46.6	1%	0.005	23%	0.228	C	C	.	.	H	α-helix	trans	-63.6	-31	-174.2	-62.6	-163.1	0	0	0	112.9	I213 V269 S270 L281 C304 Q306 L326	I213-L266 HydrophobicContact CB-CB 4.48Å; I213-L266 HydrophobicContact CD1-CB 3.96Å; I213-L266 HydrophobicContact CG2-CB 3.87Å; I213-L266 HydrophobicContact CG2-CD1 4.46Å; L266-V269 PolarHBondContact O-N 3.47Å; L266-S270 WeakPolarHBondContact O-CB 3.17Å; L266-S270 PolarHBondContact O-N 2.98Å; L266-L281 HydrophobicContact CB-CD1 4.27Å; L266-L281 HydrophobicContact CD2-CD1 3.96Å; L266-C304 HydrophobicContact CD1-CB 4.03Å; L266-C304 VanDerWaalsContact CD2-SG 3.57Å; L266-Q306 HydrophobicContact CD1-CG 3.3Å; L266-Q306 HydrophobicContact CG-CG 3.74Å; L266-L326 HydrophobicContact CD2-CD2 3.86Å
267	E	98.5	Very high	98.2	Very high	35 Å²	35	46.7 Å²	46.7	16%	0.164	23%	0.229	C	C	.	.	H	α-helix	trans	-62.7	-50.1	-179.1	176.5	51.8	-143.5	0	0	111.9	I213 Q265 V269 S270 R271	I213-E267 HydrophobicContact CB-CB 4.11Å; I213-E267 PolarHBondContact N-OE2 3.31Å; Q265-E267 VanDerWaalsContact C-N 3.25Å; Q265-E267 PolarHBondContact O-N 3.25Å; E267-V269 VanDerWaalsContact C-N 3.35Å; E267-V269 PolarHBondContact O-N 3.15Å; E267-S270 PolarHBondContact O-N 3.26Å; E267-R271 PolarHBondContact O-N 2.98Å; E267-R271 WeakPolarHBondContact OE1-CD 3.42Å; E267-R271 IonicContact OE1-NE 3.85Å; E267-R271 PolarHBondContact OE1-NE 3.42Å
268	E	98.5	Very high	98.3	Very high	58 Å²	58	46.6 Å²	46.6	27%	0.271	23%	0.228	S	C	.	.	H	α-helix	trans	-60	-45.2	175.6	-76.5	65	-150	0	0	111.7	H215 Q265 R271 F272	H215-E268 IonicContact CE1-OE1 3.46Å; H215-E268 IonicContact CE1-OE2 2.93Å; H215-E268 IonicContact NE2-OE1 3.9Å; H215-E268 IonicContact NE2-OE2 3.38Å; Q265-E268 WeakPolarHBondContact CB-OE2 3.34Å; Q265-E268 PolarHBondContact O-N 3.5Å; E268-R271 PolarHBondContact O-N 3.36Å; E268-R271 IonicContact OE1-NH2 2.73Å; E268-R271 PolarHBondContact OE1-NH2 3.47Å; E268-F272 PolarHBondContact O-N 3.43Å
269	V	98.8	Very high	98.3	Very high	0 Å²	0	46.4 Å²	46.4	0%	0	23%	0.227	C	C	.	.	H	α-helix	trans	-66.2	-40.6	180	179.7	0	0	0	0	111.1	C256 Y258 P264 Q265 L266 E267 F272 L273 L281 L326 V330	C256-V269 HydrophobicContact CB-CG2 4.12Å; Y258-V269 HydrophobicContact CE2-CG2 3.89Å; P264-V269 HydrophobicContact CB-CG2 3.85Å; Q265-V269 WeakPolarHBondContact O-CG2 3.49Å; Q265-V269 PolarHBondContact O-N 3.18Å; L266-V269 PolarHBondContact O-N 3.47Å; E267-V269 VanDerWaalsContact C-N 3.35Å; E267-V269 PolarHBondContact O-N 3.15Å; V269-F272 PolarHBondContact O-N 2.89Å; V269-L273 HydrophobicContact CG1-CD1 4.34Å; V269-L273 WeakPolarHBondContact O-CG 3.22Å; V269-L273 PolarHBondContact O-N 2.9Å; V269-L281 HydrophobicContact CB-CD1 3.94Å; V269-L281 HydrophobicContact CG1-CD1 3.68Å; V269-L326 HydrophobicContact CG1-CD2 4.48Å; V269-L326 HydrophobicContact CG2-CD2 4.32Å; V269-V330 HydrophobicContact CG1-CB 4.36Å; V269-V330 HydrophobicContact CG1-CG1 3.43Å; V269-V330 VanDerWaalsContact CG1-CG1 3.43Å; V269-V330 HydrophobicContact CG1-CG2 3.97Å
270	S	98.8	Very high	98.3	Very high	11 Å²	11	45.5 Å²	45.5	8%	0.077	22%	0.218	C	C	.	.	H	α-helix	trans	-61.4	-45.5	176.4	-172.1	0	0	0	0	111.3	L266 E267 F272 L273 K274 Q280 L281	L266-S270 WeakPolarHBondContact O-CB 3.17Å; L266-S270 PolarHBondContact O-N 2.98Å; E267-S270 PolarHBondContact O-N 3.26Å; S270-F272 PolarHBondContact O-N 2.82Å; S270-L273 PolarHBondContact O-N 3.47Å; S270-K274 WeakPolarHBondContact O-CB 3.4Å; S270-K274 PolarHBondContact O-N 3.33Å; S270-Q280 WeakPolarHBondContact OG-CB 3.46Å; S270-L281 PolarHBondContact OG-N 3.41Å
271	R	98.6	Very high	98.4	Very high	115 Å²	115	42.1 Å²	42.1	43%	0.434	20%	0.203	S	C	.	.	H	α-helix	trans	-59.9	-45.5	174.3	-78.4	-174.3	-84.6	122.1	-4.3	111.9	E267 E268 K274 E275	E267-R271 PolarHBondContact O-N 2.98Å; E267-R271 WeakPolarHBondContact OE1-CD 3.42Å; E267-R271 IonicContact OE1-NE 3.85Å; E267-R271 PolarHBondContact OE1-NE 3.42Å; E268-R271 PolarHBondContact O-N 3.36Å; E268-R271 IonicContact OE1-NH2 2.73Å; E268-R271 PolarHBondContact OE1-NH2 3.47Å; R271-K274 PolarHBondContact O-N 2.77Å; R271-E275 WeakPolarHBondContact O-CG 3.24Å; R271-E275 PolarHBondContact O-N 3.39Å; R271-E275 VanDerWaalsContact O-N 3.11Å
272	F	98.7	Very high	98.4	Very high	18 Å²	18	38 Å²	38	8%	0.079	18%	0.179	C	C	.	.	H	α-helix	trans	-60.1	-48.7	176.5	170.9	-94.9	0	0	0	112.4	L251 L252 Y255 C256 E268 V269 S270 K274 E275 R276 A334	L251-F272 HydrophobicContact CB-CE2 4.18Å; L251-F272 HydrophobicContact CB-CZ 3.9Å; L252-F272 HydrophobicContact CD2-CD1 3.57Å; L252-F272 HydrophobicContact CD2-CE1 3.46Å; L252-F272 VanDerWaalsContact CD2-CE1 3.46Å; L252-F272 HydrophobicContact CD2-CG 4.4Å; L252-F272 HydrophobicContact CD2-CZ 4.21Å; L252-F272 HydrophobicContact CG-CE1 3.99Å; L252-F272 HydrophobicContact CG-CZ 4.42Å; Y255-F272 HydrophobicContact CD2-CE2 4.37Å; C256-F272 WeakPolarHBondContact SG-CB 3.21Å; C256-F272 WeakPolarHBondContact SG-CG 3.49Å; E268-F272 PolarHBondContact O-N 3.43Å; V269-F272 PolarHBondContact O-N 2.89Å; S270-F272 PolarHBondContact O-N 2.82Å; F272-K274 VanDerWaalsContact C-N 3.25Å; F272-K274 PolarHBondContact O-N 2.96Å; F272-E275 PolarHBondContact O-N 2.94Å; F272-R276 HydrophobicContact CD1-CG 4.42Å; F272-R276 HydrophobicContact CD2-CG 4.35Å; F272-R276 HydrophobicContact CE1-CG 4.16Å; F272-R276 HydrophobicContact CE2-CG 4.1Å; F272-R276 HydrophobicContact CZ-CG 4.01Å; F272-R276 VanDerWaalsContact CZ-NH1 3.27Å; F272-R276 WeakPolarHBondContact O-CB 3.07Å; F272-R276 WeakPolarHBondContact O-CG 3.48Å; F272-R276 PolarHBondContact O-N 3.03Å; F272-R276 VanDerWaalsContact O-N 3.16Å; F272-A334 HydrophobicContact CE1-CB 3.93Å
273	L	98.8	Very high	98.4	Very high	0 Å²	0	34.6 Å²	34.6	0%	0	16%	0.161	C	C	.	.	H	α-helix	trans	-60.4	-38.4	177.3	-73.3	176.9	0	0	0	111.6	V269 S270 E275 R276 T277 G278 F279 L281 V330 L333 A334	V269-L273 HydrophobicContact CG1-CD1 4.34Å; V269-L273 WeakPolarHBondContact O-CG 3.22Å; V269-L273 PolarHBondContact O-N 2.9Å; S270-L273 PolarHBondContact O-N 3.47Å; L273-E275 PolarHBondContact O-N 3.42Å; L273-R276 PolarHBondContact O-N 2.93Å; L273-R276 VanDerWaalsContact O-N 3.1Å; L273-T277 PolarHBondContact O-N 2.95Å; L273-T277 PolarHBondContact O-OG1 3.38Å; L273-G278 PolarHBondContact O-N 2.99Å; L273-F279 CarbonylContact C-O 3.52Å; L273-F279 HydrophobicContact CB-CB 4.14Å; L273-F279 WeakPolarHBondContact CB-O 3.39Å; L273-L281 HydrophobicContact CD1-CD2 3.67Å; L273-L281 HydrophobicContact CD1-CG 4.05Å; L273-V330 HydrophobicContact CD1-CG1 4.28Å; L273-V330 HydrophobicContact CD1-CG2 4.44Å; L273-V330 HydrophobicContact CD2-CG1 4.37Å; L273-V330 HydrophobicContact CG-CG1 4.47Å; L273-L333 HydrophobicContact CD1-CB 4.4Å; L273-L333 HydrophobicContact CD2-CB 3.98Å; L273-A334 HydrophobicContact CD2-CB 3.86Å
274	K	98.3	Very high	98.3	Very high	111 Å²	111	35.3 Å²	35.3	48%	0.483	17%	0.165	S	C	.	.	H	α-helix	trans	-64.6	-41.8	-178.3	-171.4	172.9	-176.3	169.3	0	111.4	S270 R271 F272 R276 G278 F279	S270-K274 WeakPolarHBondContact O-CB 3.4Å; S270-K274 PolarHBondContact O-N 3.33Å; R271-K274 PolarHBondContact O-N 2.77Å; F272-K274 VanDerWaalsContact C-N 3.25Å; F272-K274 PolarHBondContact O-N 2.96Å; K274-R276 VanDerWaalsContact C-N 3.28Å; K274-R276 PolarHBondContact O-N 3.19Å; K274-G278 VanDerWaalsContact O-CA 3.26Å; K274-G278 WeakPolarHBondContact O-CA 3.4Å; K274-G278 PolarHBondContact O-N 3.37Å; K274-F279 WeakPolarHBondContact CA-O 3.43Å; K274-F279 PolarHBondContact N-O 2.74Å
275	E	97.9	Very high	97.9	Very high	168 Å²	168	36.1 Å²	36.1	79%	0.785	17%	0.172	S	C	*	.	H	α-helix	trans	-67.6	-28	175.1	-70	178.4	-174.5	0	0	113	R271 F272 L273	R271-E275 WeakPolarHBondContact O-CG 3.24Å; R271-E275 PolarHBondContact O-N 3.39Å; R271-E275 VanDerWaalsContact O-N 3.11Å; F272-E275 PolarHBondContact O-N 2.94Å; L273-E275 PolarHBondContact O-N 3.42Å
276	R	97.3	Very high	97.5	Very high	87 Å²	87	35.1 Å²	35.1	33%	0.328	17%	0.171	S	C	.	.	H	α-helix	trans	-88.7	-49.1	-173.9	-69.5	-65.8	-63.8	-89.9	-1.8	113.7	F272 L273 K274	F272-R276 HydrophobicContact CD1-CG 4.42Å; F272-R276 HydrophobicContact CD2-CG 4.35Å; F272-R276 HydrophobicContact CE1-CG 4.16Å; F272-R276 HydrophobicContact CE2-CG 4.1Å; F272-R276 HydrophobicContact CZ-CG 4.01Å; F272-R276 VanDerWaalsContact CZ-NH1 3.27Å; F272-R276 WeakPolarHBondContact O-CB 3.07Å; F272-R276 WeakPolarHBondContact O-CG 3.48Å; F272-R276 PolarHBondContact O-N 3.03Å; F272-R276 VanDerWaalsContact O-N 3.16Å; L273-R276 PolarHBondContact O-N 2.93Å; L273-R276 VanDerWaalsContact O-N 3.1Å; K274-R276 VanDerWaalsContact C-N 3.28Å; K274-R276 PolarHBondContact O-N 3.19Å
277	T	98.4	Very high	96.9	Very high	10 Å²	10	38.3 Å²	38.3	6%	0.061	19%	0.187	C	C	.	.	H	α-helix	trans	-135.8	0.7	-172	59.9	0	0	0	0	112.5	L273 F279 R300 L333 A334 K336 A339	L273-T277 PolarHBondContact O-N 2.95Å; L273-T277 PolarHBondContact O-OG1 3.38Å; T277-F279 PolarHBondContact O-N 3.27Å; T277-R300 WeakPolarHBondContact O-CD 3.38Å; T277-R300 PolarHBondContact O-NH1 3.05Å; T277-L333 WeakPolarHBondContact CB-O 3.46Å; T277-L333 VanDerWaalsContact CG2-O 3.29Å; T277-L333 WeakPolarHBondContact CG2-O 3.44Å; T277-L333 PolarHBondContact OG1-O 3.22Å; T277-A334 WeakPolarHBondContact CG2-O 3.44Å; T277-K336 HydrophobicContact CG2-CG 4.23Å; T277-A339 HydrophobicContact CG2-CB 3.9Å
278	G	98.2	Very high	96.5	Very high	32 Å²	32	37.1 Å²	37.1	33%	0.33	18%	0.182	S	C	.	.	S	Bend	trans	73.3	3	-173.2	0	0	0	0	0	113.6	L273 K274	L273-G278 PolarHBondContact O-N 2.99Å; K274-G278 VanDerWaalsContact O-CA 3.26Å; K274-G278 WeakPolarHBondContact O-CA 3.4Å; K274-G278 PolarHBondContact O-N 3.37Å
279	F	98.6	Very high	96.2	Very high	0 Å²	0	36 Å²	36	0%	0	18%	0.181	C	C	.	.			trans	-70.2	146.7	170.3	-100.1	-99.7	0	0	0	111.2	L273 K274 T277 L297 R300 F302 L333 A339	L273-F279 CarbonylContact C-O 3.52Å; L273-F279 HydrophobicContact CB-CB 4.14Å; L273-F279 WeakPolarHBondContact CB-O 3.39Å; K274-F279 WeakPolarHBondContact CA-O 3.43Å; K274-F279 PolarHBondContact N-O 2.74Å; T277-F279 PolarHBondContact O-N 3.27Å; F279-L297 HydrophobicContact CE1-CD2 4.27Å; F279-R300 CarbonylContact C-O 3.56Å; F279-R300 WeakPolarHBondContact CA-O 3.41Å; F279-R300 HydrophobicContact CB-CB 4.44Å; F279-R300 HydrophobicContact CD1-CB 4.18Å; F279-R300 WeakPolarHBondContact CD1-O 3.17Å; F279-R300 HydrophobicContact CD2-CB 3.52Å; F279-R300 HydrophobicContact CD2-CG 3.78Å; F279-R300 HydrophobicContact CE1-CB 4.31Å; F279-R300 HydrophobicContact CE2-CB 3.64Å; F279-R300 HydrophobicContact CE2-CG 3.57Å; F279-R300 HydrophobicContact CG-CB 3.81Å; F279-R300 HydrophobicContact CZ-CB 4.05Å; F279-R300 HydrophobicContact CZ-CG 4.21Å; F279-F302 HydrophobicContact CD1-CB 4.24Å; F279-F302 HydrophobicContact CE1-CB 4.43Å; F279-L333 HydrophobicContact CD1-CD1 4.1Å; F279-L333 HydrophobicContact CD1-CD2 3.89Å; F279-L333 HydrophobicContact CD1-CG 4.43Å; F279-L333 HydrophobicContact CE1-CD1 4.45Å; F279-L333 HydrophobicContact CE1-CD2 3.69Å; F279-L333 HydrophobicContact CE2-CD2 4.4Å; F279-L333 HydrophobicContact CG-CD2 4.32Å; F279-L333 HydrophobicContact CZ-CD2 3.97Å; F279-A339 HydrophobicContact CD2-CB 3.73Å; F279-A339 HydrophobicContact CE2-CB 3.77Å; F279-A339 WeakPolarHBondContact CE2-O 3.35Å
280	Q	98.5	Very high	95.9	Very high	23 Å²	23	38 Å²	38	11%	0.107	20%	0.197	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-137.8	150.6	172.8	62.1	-176.1	15.3	0	0	109.8	S270 R300 V301 F302	S270-Q280 WeakPolarHBondContact OG-CB 3.46Å; Q280-R300 PolarHBondContact N-O 2.98Å; Q280-V301 HydrophobicContact CG-CG2 3.84Å; Q280-V301 WeakPolarHBondContact O-CA 3.47Å; Q280-F302 PolarHBondContact O-N 2.91Å
281	L	98.6	Very high	95.8	Very high	1 Å²	1	38.7 Å²	38.7	1%	0.005	20%	0.198	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-87.2	152	176.4	-55.3	-174.2	0	0	0	110.2	I213 L266 V269 S270 L273 F302 C304 V330	I213-L281 HydrophobicContact CD1-CB 4.12Å; I213-L281 WeakPolarHBondContact CD1-O 3.15Å; L266-L281 HydrophobicContact CB-CD1 4.27Å; L266-L281 HydrophobicContact CD2-CD1 3.96Å; V269-L281 HydrophobicContact CB-CD1 3.94Å; V269-L281 HydrophobicContact CG1-CD1 3.68Å; S270-L281 PolarHBondContact OG-N 3.41Å; L273-L281 HydrophobicContact CD1-CD2 3.67Å; L273-L281 HydrophobicContact CD1-CG 4.05Å; L281-F302 CarbonylContact C-O 3.02Å; L281-F302 WeakPolarHBondContact CA-O 3.26Å; L281-F302 HydrophobicContact CD2-CB 4.04Å; L281-F302 HydrophobicContact CD2-CD1 3.99Å; L281-F302 HydrophobicContact CD2-CG 4.47Å; L281-C304 HydrophobicContact CB-CB 4.4Å; L281-C304 HydrophobicContact CD2-CB 4.4Å; L281-V330 HydrophobicContact CD1-CG2 4.33Å; L281-V330 HydrophobicContact CD2-CG2 4.35Å
282	R	98.3	Very high	95.6	Very high	19 Å²	19	33.5 Å²	33.5	7%	0.072	18%	0.179	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.8	126.3	170.8	174.9	170.9	-177.1	104.3	14	108.8	D168 Y207 V284 V301 F302 Q303 C304	D168-R282 IonicContact OD1-CZ 2.98Å; D168-R282 IonicContact OD1-NH1 3.51Å; D168-R282 PolarHBondContact OD1-NH1 2.73Å; D168-R282 IonicContact OD1-NH2 3.64Å; D168-R282 PolarHBondContact OD1-NH2 2.73Å; Y207-R282 HydrophobicContact CD1-CG 4.01Å; Y207-R282 HydrophobicContact CE1-CB 4.46Å; Y207-R282 HydrophobicContact CE1-CG 3.72Å; Y207-R282 PolarHBondContact O-NH2 2.87Å; R282-V284 PolarHBondContact O-N 3.35Å; R282-V301 HydrophobicContact CB-CG1 3.65Å; R282-F302 PolarHBondContact N-O 2.95Å; R282-Q303 VanDerWaalsContact CD-OE1 3.32Å; R282-Q303 VanDerWaalsContact CG-OE1 3.32Å; R282-Q303 WeakPolarHBondContact O-CA 3.4Å; R282-C304 PolarHBondContact O-N 3.12Å
283	P	97.9	Very high	95.5	Very high	3 Å²	3	34.3 Å²	34.3	2%	0.019	18%	0.182	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-64.4	132.5	178	29.2	-36.6	0	0	0	110.4	A204 Y207 I213 C304	A204-P283 HydrophobicContact CB-CB 4.22Å; Y207-P283 HydrophobicContact CD1-CG 3.82Å; Y207-P283 HydrophobicContact CD2-CG 3.8Å; Y207-P283 HydrophobicContact CE1-CG 4.43Å; Y207-P283 HydrophobicContact CE2-CG 4.4Å; Y207-P283 HydrophobicContact CG-CG 3.46Å; Y207-P283 VanDerWaalsContact CG-CG 3.46Å; I213-P283 HydrophobicContact CG2-CB 4.24Å; I213-P283 HydrophobicContact CG2-CG 3.97Å; P283-C304 VanDerWaalsContact CA-O 3.32Å; P283-C304 WeakPolarHBondContact CA-O 3.44Å
284	V	95.4	Very high	95.5	Very high	16 Å²	16	34.4 Å²	34.4	10%	0.097	18%	0.183	C	C	.	.			trans	-126.7	142.2	176.3	75.2	0	0	0	0	110.6	L173 A204 R282 G286 L288 Q303 C304 T305	L173-V284 HydrophobicContact CD2-CG2 4.42Å; A204-V284 VanDerWaalsContact CB-C 3.49Å; R282-V284 PolarHBondContact O-N 3.35Å; V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 VanDerWaalsContact CG2-O 3.32Å; V284-G286 WeakPolarHBondContact CG2-O 3.44Å; V284-G286 PolarHBondContact O-N 3.4Å; V284-L288 HydrophobicContact CG2-CD1 3.77Å; V284-L288 HydrophobicContact CG2-CD2 4.04Å; V284-L288 HydrophobicContact CG2-CG 3.7Å; V284-Q303 HydrophobicContact CB-CB 4.15Å; V284-Q303 HydrophobicContact CG1-CB 4.14Å; V284-C304 PolarHBondContact N-O 2.98Å; V284-T305 HydrophobicContact CG1-CG2 3.82Å
285	A	91	Very high	95.4	Very high	17 Å²	17	29.3 Å²	29.3	14%	0.14	16%	0.161	C	C	.	.	S	Bend	trans	-73.9	-19	-176.1	0	0	0	0	0	113.4	L173 A201 A204 F205	L173-A285 HydrophobicContact CD1-CB 4.08Å; L173-A285 HydrophobicContact CD2-CB 4.47Å; A201-A285 HydrophobicContact CB-CB 3.9Å; A204-A285 HydrophobicContact CB-CB 4.09Å; F205-A285 HydrophobicContact CE1-CB 3.92Å; F205-A285 HydrophobicContact CE2-CB 4.12Å; F205-A285 HydrophobicContact CZ-CB 3.68Å
286	G	89.5	Confident	95.5	Very high	12 Å²	12	21.3 Å²	21.3	12%	0.124	12%	0.124	C	C	.	.	S	Bend	trans	173.3	-160.7	-177.6	0	0	0	0	0	111.1	V284 L288	V284-G286 VanDerWaalsContact C-N 3.27Å; V284-G286 VanDerWaalsContact CG2-O 3.32Å; V284-G286 WeakPolarHBondContact CG2-O 3.44Å; V284-G286 PolarHBondContact O-N 3.4Å; G286-L288 PolarHBondContact O-N 3.15Å
287	L	87.3	Confident	95.5	Very high	68 Å²	68	17.2 Å²	17.2	36%	0.356	11%	0.109	S	C	.	.	P	Polyproline II helix	trans	-67.2	126	-176.3	-168.7	67.5	0	0	0	111.3	L173 V174 F177	L173-L287 CarbonylContact C-O 3.57Å; L173-L287 WeakPolarHBondContact CA-O 3.4Å; V174-L287 HydrophobicContact CB-CB 4.37Å; V174-L287 HydrophobicContact CB-CD2 4.2Å; V174-L287 HydrophobicContact CB-CG 4.37Å; V174-L287 HydrophobicContact CG1-CD2 4.31Å; V174-L287 PolarHBondContact N-O 3.43Å; F177-L287 HydrophobicContact CD2-CD2 4.25Å; F177-L287 HydrophobicContact CE2-CD2 4.03Å
288	L	89.4	Confident	95.5	Very high	11 Å²	11	16.8 Å²	16.8	6%	0.058	11%	0.106	C	C	.	.	B	Isolated β-bridge	trans	-87.6	162.5	172.9	-69.7	169.4	0	0	0	111.4	H172 L173 V284 G286 D292 F293 Q303	H172-L288 CarbonylContact O-C 3.58Å; H172-L288 VanDerWaalsContact O-CA 3.31Å; H172-L288 WeakPolarHBondContact O-CA 3.47Å; L173-L288 HydrophobicContact CD2-CD2 3.91Å; V284-L288 HydrophobicContact CG2-CD1 3.77Å; V284-L288 HydrophobicContact CG2-CD2 4.04Å; V284-L288 HydrophobicContact CG2-CG 3.7Å; G286-L288 PolarHBondContact O-N 3.15Å; L288-D292 HydrophobicContact CB-CB 4.34Å; L288-F293 HydrophobicContact CB-CB 4.22Å; L288-Q303 HydrophobicContact CD1-CB 4.01Å; L288-Q303 HydrophobicContact CD1-CG 3.6Å
289	S	91.3	Very high	95.5	Very high	34 Å²	34	15.3 Å²	15.3	24%	0.238	9%	0.09	C	C	.	.	P	Polyproline II helix	trans	-55.3	144.3	163.6	74.4	0	0	0	0	110.1	H172 R291 D292 F293	H172-S289 PolarHBondContact O-N 3.1Å; S289-R291 PolarHBondContact O-N 3.15Å; S289-R291 VanDerWaalsContact O-N 3.15Å; S289-D292 PolarHBondContact O-N 2.84Å; S289-D292 VanDerWaalsContact O-N 3.1Å; S289-D292 WeakPolarHBondContact OG-CB 3.43Å; S289-D292 PolarHBondContact OG-N 3.46Å; S289-F293 PolarHBondContact O-N 2.9Å
290	A	93.7	Very high	95.6	Very high	41 Å²	41	17.9 Å²	17.9	34%	0.339	10%	0.1	S	C	.	.	H	α-helix	trans	-53.7	-38.5	179.1	0	0	0	0	0	111.9	L294 I357 A361	A290-L294 VanDerWaalsContact O-CB 3.23Å; A290-L294 WeakPolarHBondContact O-CB 3.22Å; A290-L294 WeakPolarHBondContact O-CG 3.36Å; A290-L294 PolarHBondContact O-N 3.2Å; A290-I357 HydrophobicContact CB-CG2 3.73Å; A290-A361 HydrophobicContact CB-CB 4.03Å
291	R	95.2	Very high	95.6	Very high	27 Å²	27	16.9 Å²	16.9	10%	0.102	10%	0.096	C	C	.	.	H	α-helix	trans	-60.2	-50.2	177.2	-177.5	175.1	-67	-71.5	-1.7	112.4	H158 S289 A295 A352 T353 D354 I357	H158-R291 PolarHBondContact ND1-NH2 3.02Å; S289-R291 PolarHBondContact O-N 3.15Å; S289-R291 VanDerWaalsContact O-N 3.15Å; R291-A295 WeakPolarHBondContact O-CB 3.46Å; R291-A295 PolarHBondContact O-N 3.16Å; R291-A352 VanDerWaalsContact CZ-O 3.3Å; R291-A352 PolarHBondContact NH1-O 3.21Å; R291-A352 PolarHBondContact NH2-O 3.11Å; R291-T353 PolarHBondContact NH2-O 2.99Å; R291-D354 IonicContact CZ-OD1 3.72Å; R291-D354 IonicContact NE-OD1 2.66Å; R291-D354 IonicContact NH2-OD1 2.79Å; R291-D354 PolarHBondContact NH2-OD1 2.8Å; R291-I357 HydrophobicContact CB-CG1 4.46Å; R291-I357 HydrophobicContact CB-CG2 4.3Å; R291-I357 VanDerWaalsContact CZ-CG1 3.5Å; R291-I357 VanDerWaalsContact NH2-CG1 3.33Å
292	D	94.4	Very high	95.6	Very high	6 Å²	6	17 Å²	17	3%	0.032	10%	0.096	C	C	.	.	H	α-helix	trans	-67.2	-42.6	-179.2	-84	-5.7	0	0	0	112	C170 H171 H172 L288 S289 S296	C170-D292 VanDerWaalsContact C-OD2 3.27Å; C170-D292 WeakPolarHBondContact CA-OD2 3.3Å; C170-D292 HydrophobicContact CB-CB 3.91Å; H171-D292 PolarHBondContact N-OD2 3.02Å; H172-D292 VanDerWaalsContact CB-OD2 3.31Å; H172-D292 WeakPolarHBondContact CB-OD2 3.41Å; H172-D292 IonicContact CE1-OD2 3.69Å; H172-D292 IonicContact CG-OD2 3.81Å; H172-D292 PolarHBondContact N-OD2 3.43Å; H172-D292 IonicContact ND1-OD1 2.94Å; H172-D292 IonicContact ND1-OD2 3.88Å; H172-D292 PolarHBondContact ND1-OD2 3.31Å; L288-D292 HydrophobicContact CB-CB 4.34Å; S289-D292 PolarHBondContact O-N 2.84Å; S289-D292 VanDerWaalsContact O-N 3.1Å; S289-D292 WeakPolarHBondContact OG-CB 3.43Å; S289-D292 PolarHBondContact OG-N 3.46Å; D292-S296 PolarHBondContact O-N 2.96Å; D292-S296 VanDerWaalsContact O-N 3.17Å; D292-S296 PolarHBondContact O-OG 3.34Å
293	F	97.4	Very high	95.5	Very high	35 Å²	35	16.3 Å²	16.3	15%	0.154	9%	0.094	C	C	.	.	H	α-helix	trans	-63.7	-53.3	178.5	-179.3	-95.9	0	0	0	111.2	L288 S289 A295 S296 L297 F302 Q303 Y364	L288-F293 HydrophobicContact CB-CB 4.22Å; S289-F293 PolarHBondContact O-N 2.9Å; F293-A295 VanDerWaalsContact C-N 3.32Å; F293-A295 PolarHBondContact O-N 3.44Å; F293-S296 VanDerWaalsContact O-CB 3.22Å; F293-S296 WeakPolarHBondContact O-CB 3.47Å; F293-S296 PolarHBondContact O-N 3.39Å; F293-L297 HydrophobicContact CE1-CD1 4.12Å; F293-L297 HydrophobicContact CE1-CD2 4.5Å; F293-L297 HydrophobicContact CE1-CG 4.45Å; F293-L297 PolarHBondContact O-N 2.84Å; F293-F302 HydrophobicContact CE2-CD2 4.5Å; F293-F302 HydrophobicContact CE2-CE2 4.15Å; F293-F302 HydrophobicContact CE2-CZ 4.5Å; F293-F302 HydrophobicContact CZ-CD2 4.13Å; F293-F302 AromaticContact CZ-CE2 3.65Å; F293-F302 HydrophobicContact CZ-CE2 3.65Å; F293-F302 HydrophobicContact CZ-CZ 4.3Å; F293-Q303 HydrophobicContact CD2-CB 3.89Å; F293-Q303 HydrophobicContact CD2-CG 4.18Å; F293-Q303 HydrophobicContact CE2-CB 4.03Å; F293-Y364 AromaticContact CE1-CE1 3.89Å; F293-Y364 HydrophobicContact CE1-CE1 3.89Å; F293-Y364 AromaticContact CE1-CE2 3.81Å; F293-Y364 HydrophobicContact CE1-CE2 3.81Å; F293-Y364 AromaticContact CE1-CZ 3.47Å; F293-Y364 VanDerWaalsContact CE1-CZ 3.47Å; F293-Y364 WeakPolarHBondContact CE1-OH 3.47Å; F293-Y364 HydrophobicContact CZ-CE1 4.48Å; F293-Y364 HydrophobicContact CZ-CE2 4.49Å; F293-Y364 AromaticContact CZ-CZ 3.91Å; F293-Y364 WeakPolarHBondContact CZ-OH 3.32Å
294	L	98.1	Very high	95.5	Very high	2 Å²	2	16.2 Å²	16.2	1%	0.01	9%	0.093	C	C	.	.	H	α-helix	trans	-63.6	-37.5	180	-64.8	177.5	0	0	0	111.6	A290 S296 L297 I345 G346 L360 Y364	A290-L294 VanDerWaalsContact O-CB 3.23Å; A290-L294 WeakPolarHBondContact O-CB 3.22Å; A290-L294 WeakPolarHBondContact O-CG 3.36Å; A290-L294 PolarHBondContact O-N 3.2Å; L294-S296 PolarHBondContact O-N 3.26Å; L294-L297 HydrophobicContact CD2-CD1 3.97Å; L294-L297 WeakPolarHBondContact O-CB 3.41Å; L294-L297 PolarHBondContact O-N 2.92Å; L294-L297 VanDerWaalsContact O-N 3.15Å; L294-I345 HydrophobicContact CD2-CG2 3.84Å; L294-G346 WeakPolarHBondContact O-CA 3.39Å; L294-L360 HydrophobicContact CD1-CB 3.91Å; L294-Y364 HydrophobicContact CD2-CD2 4.01Å; L294-Y364 HydrophobicContact CD2-CG 4.19Å
295	A	97.8	Very high	95.6	Very high	4 Å²	4	15.5 Å²	15.5	3%	0.033	9%	0.088	C	C	.	.	H	α-helix	trans	-60.4	-33.2	174.8	0	0	0	0	0	112.2	P161 R291 F293 L297 A298 F299 S349 L350	P161-A295 HydrophobicContact CG-CB 4.11Å; R291-A295 WeakPolarHBondContact O-CB 3.46Å; R291-A295 PolarHBondContact O-N 3.16Å; F293-A295 VanDerWaalsContact C-N 3.32Å; F293-A295 PolarHBondContact O-N 3.44Å; A295-L297 VanDerWaalsContact C-N 3.32Å; A295-L297 PolarHBondContact O-N 3.29Å; A295-A298 VanDerWaalsContact O-CB 3.3Å; A295-A298 WeakPolarHBondContact O-CB 3.49Å; A295-A298 PolarHBondContact O-N 3Å; A295-F299 WeakPolarHBondContact O-CD2 3.11Å; A295-S349 PolarHBondContact N-OG 3.17Å; A295-L350 HydrophobicContact CB-CD2 3.89Å
296	S	98.4	Very high	96	Very high	0 Å²	0	14.8 Å²	14.8	0%	0	8%	0.082	C	C	.	.	H	α-helix	trans	-63	-38.9	176.2	-54.6	0	0	0	0	111.8	D292 F293 L294 A298 F299 V301 Q303	D292-S296 PolarHBondContact O-N 2.96Å; D292-S296 VanDerWaalsContact O-N 3.17Å; D292-S296 PolarHBondContact O-OG 3.34Å; F293-S296 VanDerWaalsContact O-CB 3.22Å; F293-S296 WeakPolarHBondContact O-CB 3.47Å; F293-S296 PolarHBondContact O-N 3.39Å; L294-S296 PolarHBondContact O-N 3.26Å; S296-A298 PolarHBondContact O-N 2.88Å; S296-F299 PolarHBondContact O-N 3.02Å; S296-V301 CarbonylContact C-O 3.5Å; S296-V301 VanDerWaalsContact CB-O 3.29Å; S296-V301 WeakPolarHBondContact CB-O 3.49Å; S296-V301 PolarHBondContact O-N 2.74Å; S296-Q303 PolarHBondContact OG-NE2 2.88Å
297	L	98.6	Very high	96.3	Very high	1 Å²	1	14.6 Å²	14.6	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-61.7	-29.4	178.5	-56.8	-180	0	0	0	112.7	F279 F293 L294 A295 F299 R300 V301 F302 Q343 Y364	F279-L297 HydrophobicContact CE1-CD2 4.27Å; F293-L297 HydrophobicContact CE1-CD1 4.12Å; F293-L297 HydrophobicContact CE1-CD2 4.5Å; F293-L297 HydrophobicContact CE1-CG 4.45Å; F293-L297 PolarHBondContact O-N 2.84Å; L294-L297 HydrophobicContact CD2-CD1 3.97Å; L294-L297 WeakPolarHBondContact O-CB 3.41Å; L294-L297 PolarHBondContact O-N 2.92Å; L294-L297 VanDerWaalsContact O-N 3.15Å; A295-L297 VanDerWaalsContact C-N 3.32Å; A295-L297 PolarHBondContact O-N 3.29Å; L297-F299 PolarHBondContact O-N 2.97Å; L297-R300 PolarHBondContact O-N 3.33Å; L297-V301 PolarHBondContact N-O 3.19Å; L297-F302 HydrophobicContact CD2-CD2 4.07Å; L297-Q343 WeakPolarHBondContact O-CA 3.4Å; L297-Y364 HydrophobicContact CD1-CD2 3.98Å; L297-Y364 HydrophobicContact CD1-CE2 3.66Å
298	A	98.4	Very high	96.8	Very high	0 Å²	0	11.6 Å²	11.6	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.4	-30.6	176.8	0	0	0	0	0	112.3	A295 S296 R300 Q343 L347 L350 Y453 I460	A295-A298 VanDerWaalsContact O-CB 3.3Å; A295-A298 WeakPolarHBondContact O-CB 3.49Å; A295-A298 PolarHBondContact O-N 3Å; S296-A298 PolarHBondContact O-N 2.88Å; A298-R300 VanDerWaalsContact C-N 3.34Å; A298-Q343 PolarHBondContact O-NE2 2.98Å; A298-L347 HydrophobicContact CB-CD2 4.11Å; A298-L347 HydrophobicContact CB-CG 4.32Å; A298-L350 HydrophobicContact CB-CD1 3.84Å; A298-L350 HydrophobicContact CB-CD2 3.98Å; A298-L350 HydrophobicContact CB-CG 4.05Å; A298-Y453 WeakPolarHBondContact O-CD2 3.28Å; A298-I460 HydrophobicContact CB-CD1 4.43Å
299	F	98.6	Very high	97.1	Very high	1 Å²	1	11.8 Å²	11.8	0%	0.004	6%	0.062	C	C	.	.	T	Hydrogen-bonded Turn	trans	-92.7	8.5	177.9	-64.7	-89.9	0	0	0	113.3	P161 K163 I164 L167 A295 S296 L297 V301 Y453 I460	P161-F299 HydrophobicContact CB-CE2 4.15Å; P161-F299 HydrophobicContact CB-CZ 4.32Å; P161-F299 HydrophobicContact CG-CE2 3.87Å; P161-F299 HydrophobicContact CG-CZ 4.49Å; P161-F299 VanDerWaalsContact O-CZ 3.23Å; P161-F299 WeakPolarHBondContact O-CZ 3.4Å; K163-F299 VanDerWaalsContact C-CE1 3.49Å; I164-F299 HydrophobicContact CB-CD1 3.73Å; I164-F299 HydrophobicContact CB-CE1 4.36Å; I164-F299 HydrophobicContact CB-CG 4.37Å; I164-F299 HydrophobicContact CD1-CB 4.12Å; I164-F299 HydrophobicContact CG1-CB 4.02Å; I164-F299 HydrophobicContact CG1-CD1 4.16Å; I164-F299 HydrophobicContact CG1-CG 4.32Å; L167-F299 HydrophobicContact CD1-CB 4.16Å; L167-F299 HydrophobicContact CD1-CD2 4.26Å; L167-F299 HydrophobicContact CD1-CG 4.32Å; L167-F299 HydrophobicContact CD2-CD2 4.19Å; L167-F299 HydrophobicContact CD2-CE2 4.49Å; L167-F299 HydrophobicContact CG-CD2 4.42Å; A295-F299 WeakPolarHBondContact O-CD2 3.11Å; S296-F299 PolarHBondContact O-N 3.02Å; L297-F299 PolarHBondContact O-N 2.97Å; F299-V301 HydrophobicContact CB-CG2 3.9Å; F299-V301 PolarHBondContact O-N 3.25Å; F299-Y453 HydrophobicContact CB-CE2 4.41Å; F299-Y453 HydrophobicContact CD1-CD2 4.41Å; F299-Y453 AromaticContact CD1-CE2 3.87Å; F299-Y453 HydrophobicContact CD1-CE2 3.87Å; F299-Y453 HydrophobicContact CG-CE2 4.44Å; F299-I460 HydrophobicContact CE1-CD1 4.32Å; F299-I460 HydrophobicContact CE1-CG1 3.81Å; F299-I460 HydrophobicContact CE2-CD1 4.48Å; F299-I460 HydrophobicContact CE2-CG1 4.03Å; F299-I460 HydrophobicContact CZ-CD1 4.12Å; F299-I460 HydrophobicContact CZ-CG1 3.38Å
300	R	98.7	Very high	97.3	Very high	55 Å²	55	11.7 Å²	11.7	21%	0.208	6%	0.058	C	C	.	.	T	Hydrogen-bonded Turn	trans	54.4	38.4	-167.6	-57.7	-167.1	173	170	2.1	111.9	T277 F279 Q280 L297 A298 Q343	T277-R300 WeakPolarHBondContact O-CD 3.38Å; T277-R300 PolarHBondContact O-NH1 3.05Å; F279-R300 CarbonylContact C-O 3.56Å; F279-R300 WeakPolarHBondContact CA-O 3.41Å; F279-R300 HydrophobicContact CB-CB 4.44Å; F279-R300 HydrophobicContact CD1-CB 4.18Å; F279-R300 WeakPolarHBondContact CD1-O 3.17Å; F279-R300 HydrophobicContact CD2-CB 3.52Å; F279-R300 HydrophobicContact CD2-CG 3.78Å; F279-R300 HydrophobicContact CE1-CB 4.31Å; F279-R300 HydrophobicContact CE2-CB 3.64Å; F279-R300 HydrophobicContact CE2-CG 3.57Å; F279-R300 HydrophobicContact CG-CB 3.81Å; F279-R300 HydrophobicContact CZ-CB 4.05Å; F279-R300 HydrophobicContact CZ-CG 4.21Å; Q280-R300 PolarHBondContact N-O 2.98Å; L297-R300 PolarHBondContact O-N 3.33Å; A298-R300 VanDerWaalsContact C-N 3.34Å; R300-Q343 HydrophobicContact CG-CB 4.31Å; R300-Q343 HydrophobicContact CG-CG 4.16Å; R300-Q343 VanDerWaalsContact CZ-OE1 3.31Å
301	V	98.8	Very high	97.3	Very high	2 Å²	2	11.5 Å²	11.5	1%	0.012	6%	0.056	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-108.9	119.9	174.5	-179	0	0	0	0	108.7	I164 L167 Q280 R282 S296 L297 F299	I164-V301 HydrophobicContact CD1-CG2 3.77Å; I164-V301 HydrophobicContact CG1-CG2 3.92Å; L167-V301 HydrophobicContact CD1-CB 3.68Å; L167-V301 HydrophobicContact CD1-CG1 3.94Å; L167-V301 HydrophobicContact CD1-CG2 3.62Å; Q280-V301 HydrophobicContact CG-CG2 3.84Å; Q280-V301 WeakPolarHBondContact O-CA 3.47Å; R282-V301 HydrophobicContact CB-CG1 3.65Å; S296-V301 CarbonylContact C-O 3.5Å; S296-V301 VanDerWaalsContact CB-O 3.29Å; S296-V301 WeakPolarHBondContact CB-O 3.49Å; S296-V301 PolarHBondContact O-N 2.74Å; L297-V301 PolarHBondContact N-O 3.19Å; F299-V301 HydrophobicContact CB-CG2 3.9Å; F299-V301 PolarHBondContact O-N 3.25Å
302	F	98.7	Very high	97.3	Very high	2 Å²	2	13.9 Å²	13.9	1%	0.009	8%	0.077	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.7	123.1	174.1	-174.4	-94.4	0	0	0	109.5	F279 Q280 L281 R282 F293 L297 C304 E325 H329 L333	F279-F302 HydrophobicContact CD1-CB 4.24Å; F279-F302 HydrophobicContact CE1-CB 4.43Å; Q280-F302 PolarHBondContact O-N 2.91Å; L281-F302 CarbonylContact C-O 3.02Å; L281-F302 WeakPolarHBondContact CA-O 3.26Å; L281-F302 HydrophobicContact CD2-CB 4.04Å; L281-F302 HydrophobicContact CD2-CD1 3.99Å; L281-F302 HydrophobicContact CD2-CG 4.47Å; R282-F302 PolarHBondContact N-O 2.95Å; F293-F302 HydrophobicContact CE2-CD2 4.5Å; F293-F302 HydrophobicContact CE2-CE2 4.15Å; F293-F302 HydrophobicContact CE2-CZ 4.5Å; F293-F302 HydrophobicContact CZ-CD2 4.13Å; F293-F302 AromaticContact CZ-CE2 3.65Å; F293-F302 HydrophobicContact CZ-CE2 3.65Å; F293-F302 HydrophobicContact CZ-CZ 4.3Å; L297-F302 HydrophobicContact CD2-CD2 4.07Å; F302-C304 HydrophobicContact CD1-CB 4.01Å; F302-C304 HydrophobicContact CE1-CB 4.2Å; F302-E325 WeakPolarHBondContact CE1-OE2 3.42Å; F302-E325 VanDerWaalsContact CZ-OE2 3.22Å; F302-E325 WeakPolarHBondContact CZ-OE2 3.35Å; F302-H329 HydrophobicContact CE1-CB 4.09Å; F302-H329 HydrophobicContact CE2-CB 4.07Å; F302-H329 AromaticContact CE2-CG 3.71Å; F302-H329 AromaticContact CE2-ND1 3.78Å; F302-H329 HydrophobicContact CZ-CB 3.71Å; F302-H329 AromaticContact CZ-CD2 3.34Å; F302-H329 WeakPolarHBondContact CZ-CD2 3.39Å; F302-H329 AromaticContact CZ-CG 3.38Å; F302-H329 AromaticContact CZ-ND1 3.89Å; F302-H329 AromaticContact CZ-NE2 3.83Å; F302-L333 HydrophobicContact CB-CD1 3.75Å; F302-L333 HydrophobicContact CD1-CD1 4.27Å; F302-L333 HydrophobicContact CD2-CD1 3.82Å; F302-L333 HydrophobicContact CG-CD1 3.67Å
303	Q	97.6	Very high	97	Very high	6 Å²	6	15.4 Å²	15.4	3%	0.028	9%	0.088	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-80.6	119.3	178.7	-59.9	-80.6	7.2	0	0	107.6	R282 V284 L288 F293 S296	R282-Q303 VanDerWaalsContact CD-OE1 3.32Å; R282-Q303 VanDerWaalsContact CG-OE1 3.32Å; R282-Q303 WeakPolarHBondContact O-CA 3.4Å; V284-Q303 HydrophobicContact CB-CB 4.15Å; V284-Q303 HydrophobicContact CG1-CB 4.14Å; L288-Q303 HydrophobicContact CD1-CB 4.01Å; L288-Q303 HydrophobicContact CD1-CG 3.6Å; F293-Q303 HydrophobicContact CD2-CB 3.89Å; F293-Q303 HydrophobicContact CD2-CG 4.18Å; F293-Q303 HydrophobicContact CE2-CB 4.03Å; S296-Q303 PolarHBondContact OG-NE2 2.88Å
304	C	97.8	Very high	96.5	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	9%	0.086	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-130.6	126.7	-164.9	-177.1	0	0	0	0	110.2	L266 L281 R282 P283 V284 F302 E325	L266-C304 HydrophobicContact CD1-CB 4.03Å; L266-C304 VanDerWaalsContact CD2-SG 3.57Å; L281-C304 HydrophobicContact CB-CB 4.4Å; L281-C304 HydrophobicContact CD2-CB 4.4Å; R282-C304 PolarHBondContact O-N 3.12Å; P283-C304 VanDerWaalsContact CA-O 3.32Å; P283-C304 WeakPolarHBondContact CA-O 3.44Å; V284-C304 PolarHBondContact N-O 2.98Å; F302-C304 HydrophobicContact CD1-CB 4.01Å; F302-C304 HydrophobicContact CE1-CB 4.2Å; C304-E325 WeakPolarHBondContact SG-CB 3.42Å
305	T	97.3	Very high	95.9	Very high	1 Å²	1	17.9 Å²	17.9	1%	0.006	10%	0.102	C	C	.	.			trans	-75.9	153.4	176.2	62.9	0	0	0	0	111.2	V284 Y307 P320	V284-T305 HydrophobicContact CG1-CG2 3.82Å; T305-Y307 HydrophobicContact CG2-CD1 4.45Å; T305-Y307 HydrophobicContact CG2-CE1 3.63Å; T305-P320 WeakPolarHBondContact CB-O 3.2Å; T305-P320 WeakPolarHBondContact CG2-O 3.37Å; T305-P320 PolarHBondContact OG1-O 3.25Å
306	Q	98.1	Very high	94.9	Very high	2 Å²	2	23.2 Å²	23.2	1%	0.009	13%	0.126	C	C	.	.			trans	-112.6	-7	178.2	-72.6	-173.5	-88.2	0	0	113.6	I200 P214 V216 Y218 L266	I200-Q306 HydrophobicContact CG2-CB 3.56Å; P214-Q306 PolarHBondContact O-NE2 3.36Å; P214-Q306 VanDerWaalsContact O-NE2 3.08Å; V216-Q306 HydrophobicContact CG2-CB 4.19Å; Y218-Q306 WeakPolarHBondContact CE1-O 3.42Å; Y218-Q306 PolarHBondContact OH-O 3.48Å; Y218-Q306 VanDerWaalsContact OH-O 3.07Å; L266-Q306 HydrophobicContact CD1-CG 3.3Å; L266-Q306 HydrophobicContact CG-CG 3.74Å
307	Y	97.1	Very high	93.9	Very high	8 Å²	8	24.7 Å²	24.7	3%	0.031	14%	0.137	C	C	.	.	P	Polyproline II helix	trans	-84.6	153.5	177.2	60.4	-97.6	0	0	0	110.1	R197 T305 E319 D321 C322	R197-Y307 VanDerWaalsContact CD-CB 3.49Å; R197-Y307 VanDerWaalsContact CD-CG 3.46Å; R197-Y307 VanDerWaalsContact NE-CG 3.33Å; R197-Y307 PolarHBondContact NH2-OH 3.35Å; T305-Y307 HydrophobicContact CG2-CD1 4.45Å; T305-Y307 HydrophobicContact CG2-CE1 3.63Å; Y307-E319 HydrophobicContact CE2-CG 3.98Å; Y307-E319 WeakPolarHBondContact CE2-OE1 3.47Å; Y307-E319 WeakPolarHBondContact CE2-OE2 3.43Å; Y307-E319 PolarHBondContact OH-OE2 2.79Å; Y307-D321 HydrophobicContact CD2-CB 4.16Å; Y307-D321 HydrophobicContact CE2-CB 4.05Å; Y307-C322 WeakPolarHBondContact O-CB 3.16Å; Y307-C322 PolarHBondContact O-N 3.3Å
308	I	97.3	Very high	92.8	Very high	5 Å²	5	26.6 Å²	26.6	3%	0.026	15%	0.149	C	C	.	.	P	Polyproline II helix	trans	-103.4	150.6	173.5	-165	165.9	0	0	0	110.2	Y193 E222 T225 W226 I263	Y193-I308 WeakPolarHBondContact CE2-O 3.39Å; Y193-I308 PolarHBondContact OH-O 2.66Å; Y193-I308 VanDerWaalsContact OH-O 3.11Å; E222-I308 HydrophobicContact CB-CG2 3.71Å; E222-I308 HydrophobicContact CG-CG2 3.5Å; E222-I308 VanDerWaalsContact CG-CG2 3.5Å; E222-I308 VanDerWaalsContact O-CD1 3.24Å; E222-I308 WeakPolarHBondContact O-CD1 3.47Å; T225-I308 HydrophobicContact CG2-CD1 4.13Å; T225-I308 HydrophobicContact CG2-CG1 4.32Å; W226-I308 HydrophobicContact CB-CD1 3.8Å; I263-I308 HydrophobicContact CD1-CD1 3.94Å
309	R	95.3	Very high	92	Very high	16 Å²	16	27 Å²	27	6%	0.06	15%	0.151	C	C	.	.	P	Polyproline II helix	trans	-54.9	156.7	173.5	67	-169.8	66.1	-178.9	-7.7	112.3	T225 P314 D321	T225-R309 HydrophobicContact CG2-CG 3.86Å; R309-P314 WeakPolarHBondContact CD-O 3.48Å; R309-P314 PolarHBondContact NH1-O 2.82Å; R309-D321 HydrophobicContact CB-CB 4.21Å; R309-D321 WeakPolarHBondContact CB-OD2 3.43Å; R309-D321 WeakPolarHBondContact CG-OD2 3.37Å; R309-D321 IonicContact CZ-OD1 3.26Å; R309-D321 IonicContact CZ-OD2 3.03Å; R309-D321 PolarHBondContact N-OD2 3.24Å; R309-D321 IonicContact NE-OD1 2.71Å; R309-D321 PolarHBondContact NE-OD1 3.02Å; R309-D321 IonicContact NE-OD2 3.81Å; R309-D321 PolarHBondContact NE-OD2 3.38Å; R309-D321 IonicContact NH2-OD1 2.94Å; R309-D321 PolarHBondContact NH2-OD1 3.14Å; R309-D321 IonicContact NH2-OD2 3.69Å
310	H	95.8	Very high	91.5	Very high	32 Å²	32	28.3 Å²	28.3	15%	0.148	16%	0.16	C	C	.	.	P	Polyproline II helix	trans	-65.4	136.9	179.7	-169.6	-98.3	0	0	0	112.4	P186 D190 Y193 S312 S313	P186-H310 HydrophobicContact CB-CB 4.04Å; D190-H310 IonicContact OD2-NE2 2.73Å; D190-H310 PolarHBondContact OD2-NE2 2.66Å; Y193-H310 HydrophobicContact CD2-CB 4.45Å; Y193-H310 AromaticContact CD2-CD2 3.71Å; Y193-H310 HydrophobicContact CE2-CB 4.08Å; Y193-H310 AromaticContact CG-CD2 3.71Å; H310-S312 PolarHBondContact CE1-OG 3.37Å; H310-S312 WeakPolarHBondContact ND1-CB 3.46Å; H310-S312 PolarHBondContact ND1-N 3.1Å; H310-S312 PolarHBondContact ND1-OG 3.11Å; H310-S312 PolarHBondContact O-N 3.19Å; H310-S312 VanDerWaalsContact O-N 3.11Å; H310-S313 PolarHBondContact O-N 3.41Å; H310-S313 VanDerWaalsContact O-N 3.1Å
311	A	95.1	Very high	91.4	Very high	36 Å²	36	25.7 Å²	25.7	30%	0.298	15%	0.15	S	C	.	.	T	Hydrogen-bonded Turn	trans	-64.5	-18.9	-173	0	0	0	0	0	114.8	E221 T225 S313	E221-A311 HydrophobicContact CG-CB 3.92Å; T225-A311 WeakPolarHBondContact OG1-CB 3.23Å; A311-S313 PolarHBondContact O-N 3.21Å
312	S	93.5	Very high	91.3	Very high	78 Å²	78	25.6 Å²	25.6	55%	0.545	15%	0.149	S	C	.	.	T	Hydrogen-bonded Turn	trans	-71.3	-19.1	176	71.4	0	0	0	0	114	H310	H310-S312 PolarHBondContact CE1-OG 3.37Å; H310-S312 WeakPolarHBondContact ND1-CB 3.46Å; H310-S312 PolarHBondContact ND1-N 3.1Å; H310-S312 PolarHBondContact ND1-OG 3.11Å; H310-S312 PolarHBondContact O-N 3.19Å; H310-S312 VanDerWaalsContact O-N 3.11Å
313	S	88.9	Confident	91.2	Very high	37 Å²	37	25.5 Å²	25.5	26%	0.259	15%	0.149	S	C	.	.			trans	-136.5	58.2	-173.2	-58.8	0	0	0	0	111.1	H310 A311 M315 H316	H310-S313 PolarHBondContact O-N 3.41Å; H310-S313 VanDerWaalsContact O-N 3.1Å; A311-S313 PolarHBondContact O-N 3.21Å; S313-M315 PolarHBondContact O-N 3.47Å; S313-M315 VanDerWaalsContact O-N 3.15Å; S313-H316 CarbonylContact O-C 3.5Å; S313-H316 PolarHBondContact O-N 3.11Å
314	P	87.3	Confident	91.3	Very high	16 Å²	16	26.3 Å²	26.3	10%	0.104	15%	0.152	C	C	.	.	T	Hydrogen-bonded Turn	trans	-61.3	-29.7	-173.7	24.7	-33.4	0	0	0	112.8	T225 E228 V229 R309	T225-P314 HydrophobicContact CG2-CB 4.22Å; E228-P314 VanDerWaalsContact CD-CG 3.45Å; E228-P314 HydrophobicContact CG-CB 4.4Å; E228-P314 HydrophobicContact CG-CG 4.5Å; E228-P314 VanDerWaalsContact OE1-CG 3.3Å; E228-P314 WeakPolarHBondContact OE1-CG 3.35Å; E228-P314 WeakPolarHBondContact OE2-CG 3.44Å; V229-P314 HydrophobicContact CG2-CB 4.39Å; V229-P314 WeakPolarHBondContact CG2-O 3.34Å; R309-P314 WeakPolarHBondContact CD-O 3.48Å; R309-P314 PolarHBondContact NH1-O 2.82Å
315	M	84.9	Confident	91.3	Very high	74 Å²	74	26.7 Å²	26.7	37%	0.365	15%	0.154	S	C	.	.	T	Hydrogen-bonded Turn	trans	-92.6	0	-176.4	-57.3	-59.4	-93.4	0	0	114.1	T232 S313 Y390	T232-M315 HydrophobicContact CG2-CE 3.46Å; T232-M315 VanDerWaalsContact CG2-CE 3.46Å; S313-M315 PolarHBondContact O-N 3.47Å; S313-M315 VanDerWaalsContact O-N 3.15Å; M315-Y390 HydrophobicContact CE-CD1 4.06Å; M315-Y390 HydrophobicContact CE-CD2 4.45Å; M315-Y390 HydrophobicContact CE-CG 3.76Å
316	H	76.5	Confident	91.3	Very high	115 Å²	115	26.7 Å²	26.7	53%	0.532	15%	0.154	S	C	.	.			trans	-143.3	123.5	-179.4	176.6	75.2	0	0	0	110.7	S313	S313-H316 CarbonylContact O-C 3.5Å; S313-H316 PolarHBondContact O-N 3.11Å
317	S	78.8	Confident	91.4	Very high	32 Å²	32	26.6 Å²	26.6	22%	0.224	15%	0.154	C	C	.	.			trans	-131.2	126.4	173.7	-170.7	0	0	0	0	109.5	E319	S317-E319 WeakPolarHBondContact CB-O 3.33Å; S317-E319 PolarHBondContact O-N 2.91Å; S317-E319 PolarHBondContact OG-N 3.4Å; S317-E319 PolarHBondContact OG-O 3.34Å
318	P	73.6	Confident	91.4	Very high	41 Å²	41	26.2 Å²	26.2	27%	0.266	15%	0.152	S	C	.	.	S	Bend	trans	-73.8	-13.7	171.2	31.9	-34.9	0	0	0	112.2	F177	F177-P318 HydrophobicContact CD1-CB 4.14Å; F177-P318 HydrophobicContact CE1-CB 4.3Å; F177-P318 WeakPolarHBondContact CE1-O 3.35Å; F177-P318 WeakPolarHBondContact CZ-O 3.4Å
319	E	81.6	Confident	91.5	Very high	7 Å²	7	26.1 Å²	26.1	3%	0.033	15%	0.152	C	C	.	.	S	Bend	trans	-121.3	151.1	-175.8	55.3	178.7	179.3	0	0	112.2	F177 H185 Y193 R197 Y307 S317 D321	F177-E319 HydrophobicContact CB-CB 3.93Å; F177-E319 HydrophobicContact CG-CB 4.32Å; H185-E319 IonicContact CE1-OE1 3.34Å; H185-E319 IonicContact NE2-OE1 3.25Å; H185-E319 PolarHBondContact NE2-OE1 2.83Å; H185-E319 IonicContact NE2-OE2 3.3Å; Y193-E319 PolarHBondContact OH-OE1 2.89Å; R197-E319 IonicContact CZ-OE1 2.83Å; R197-E319 IonicContact CZ-OE2 3.38Å; R197-E319 IonicContact NH1-OE1 2.79Å; R197-E319 PolarHBondContact NH1-OE1 3.46Å; R197-E319 IonicContact NH1-OE2 3.19Å; R197-E319 PolarHBondContact NH1-OE2 2.58Å; R197-E319 IonicContact NH2-OE1 2.58Å; R197-E319 IonicContact NH2-OE2 2.74Å; R197-E319 PolarHBondContact NH2-OE2 3Å; Y307-E319 HydrophobicContact CE2-CG 3.98Å; Y307-E319 WeakPolarHBondContact CE2-OE1 3.47Å; Y307-E319 WeakPolarHBondContact CE2-OE2 3.43Å; Y307-E319 PolarHBondContact OH-OE2 2.79Å; S317-E319 WeakPolarHBondContact CB-O 3.33Å; S317-E319 PolarHBondContact O-N 2.91Å; S317-E319 PolarHBondContact OG-N 3.4Å; S317-E319 PolarHBondContact OG-O 3.34Å; E319-D321 PolarHBondContact O-N 3.08Å
320	P	89.3	Confident	91.6	Very high	29 Å²	29	25.3 Å²	25.3	19%	0.188	15%	0.149	C	C	.	.			trans	-75.1	90.2	175.1	31.6	-34.3	0	0	0	109.8	T305 H324	T305-P320 WeakPolarHBondContact CB-O 3.2Å; T305-P320 WeakPolarHBondContact CG2-O 3.37Å; T305-P320 PolarHBondContact OG1-O 3.25Å; P320-H324 VanDerWaalsContact CB-CD2 3.44Å; P320-H324 WeakPolarHBondContact CB-CD2 3.45Å
321	D	95.6	Very high	91.8	Very high	0 Å²	0	23.8 Å²	23.8	0%	0	14%	0.142	C	C	.	.			trans	-81.6	173.8	174	80	-45.9	0	0	0	111.7	Y307 R309 E319 C323 H324 E325	Y307-D321 HydrophobicContact CD2-CB 4.16Å; Y307-D321 HydrophobicContact CE2-CB 4.05Å; R309-D321 HydrophobicContact CB-CB 4.21Å; R309-D321 WeakPolarHBondContact CB-OD2 3.43Å; R309-D321 WeakPolarHBondContact CG-OD2 3.37Å; R309-D321 IonicContact CZ-OD1 3.26Å; R309-D321 IonicContact CZ-OD2 3.03Å; R309-D321 PolarHBondContact N-OD2 3.24Å; R309-D321 IonicContact NE-OD1 2.71Å; R309-D321 PolarHBondContact NE-OD1 3.02Å; R309-D321 IonicContact NE-OD2 3.81Å; R309-D321 PolarHBondContact NE-OD2 3.38Å; R309-D321 IonicContact NH2-OD1 2.94Å; R309-D321 PolarHBondContact NH2-OD1 3.14Å; R309-D321 IonicContact NH2-OD2 3.69Å; E319-D321 PolarHBondContact O-N 3.08Å; D321-C323 PolarHBondContact O-N 3.05Å; D321-C323 WeakPolarHBondContact OD2-CB 3.2Å; D321-C323 PolarHBondContact OD2-SG 3.32Å; D321-H324 WeakPolarHBondContact O-CA 3.12Å; D321-H324 WeakPolarHBondContact O-CB 3.37Å; D321-H324 PolarHBondContact O-N 3.29Å; D321-H324 PolarHBondContact OD1-N 2.97Å; D321-E325 WeakPolarHBondContact O-CG 3.4Å; D321-E325 PolarHBondContact O-N 3.47Å; D321-E325 VanDerWaalsContact O-N 3.12Å
322	C	97.1	Very high	91.9	Very high	0 Å²	0	22.1 Å²	22.1	0%	0	13%	0.128	C	C	.	.	H	α-helix	trans	-58.9	-24.8	-177.8	70.7	0	0	0	0	113.5	Y307 L326	Y307-C322 WeakPolarHBondContact O-CB 3.16Å; Y307-C322 PolarHBondContact O-N 3.3Å; C322-L326 HydrophobicContact CB-CD1 4.3Å; C322-L326 WeakPolarHBondContact O-CB 3.44Å; C322-L326 WeakPolarHBondContact O-CG 3.44Å; C322-L326 PolarHBondContact O-N 3.31Å
323	C	97.9	Very high	92.2	Very high	0 Å²	0	18.5 Å²	18.5	0%	0	10%	0.102	C	C	.	.	H	α-helix	trans	-63.1	-47.5	171.4	-58.3	0	0	0	0	111.2	V229 D321 L327	V229-C323 HydrophobicContact CG1-CB 4.14Å; D321-C323 PolarHBondContact O-N 3.05Å; D321-C323 WeakPolarHBondContact OD2-CB 3.2Å; D321-C323 PolarHBondContact OD2-SG 3.32Å; C323-L327 WeakPolarHBondContact O-CB 3.49Å; C323-L327 WeakPolarHBondContact O-CG 3.19Å; C323-L327 PolarHBondContact O-N 3.1Å
324	H	97.8	Very high	92.6	Very high	23 Å²	23	16.9 Å²	16.9	11%	0.106	9%	0.091	C	C	.	.	I	π-helix	trans	-60.1	-47.3	176.4	175.2	81.2	0	0	0	111.9	P320 D321 G328 H329 E369 S388	P320-H324 VanDerWaalsContact CB-CD2 3.44Å; P320-H324 WeakPolarHBondContact CB-CD2 3.45Å; D321-H324 WeakPolarHBondContact O-CA 3.12Å; D321-H324 WeakPolarHBondContact O-CB 3.37Å; D321-H324 PolarHBondContact O-N 3.29Å; D321-H324 PolarHBondContact OD1-N 2.97Å; H324-G328 WeakPolarHBondContact O-CA 3.48Å; H324-G328 PolarHBondContact O-N 3.34Å; H324-H329 AromaticContact CD2-CD2 3.87Å; H324-H329 AromaticContact CD2-NE2 3.88Å; H324-H329 AromaticContact CE1-NE2 3.95Å; H324-H329 AromaticContact NE2-CD2 3.6Å; H324-H329 AromaticContact NE2-NE2 3.16Å; H324-H329 PolarHBondContact NE2-NE2 3.01Å; H324-H329 VanDerWaalsContact NE2-NE2 3.16Å; H324-E369 IonicContact CE1-OE2 3.05Å; H324-E369 PolarHBondContact CE1-OE2 3.3Å; H324-E369 VanDerWaalsContact CE1-OE2 3.29Å; H324-E369 IonicContact NE2-OE2 3.83Å; H324-E369 PolarHBondContact NE2-OE2 3.49Å; H324-S388 PolarHBondContact ND1-OG 2.94Å
325	E	98.2	Very high	93.2	Very high	9 Å²	9	17.9 Å²	17.9	4%	0.042	10%	0.095	C	C	.	.	I	π-helix	trans	-65.7	-50.7	-177.9	-49.5	-63.1	-169.4	0	0	112.3	F302 C304 D321 H329 V330	F302-E325 WeakPolarHBondContact CE1-OE2 3.42Å; F302-E325 VanDerWaalsContact CZ-OE2 3.22Å; F302-E325 WeakPolarHBondContact CZ-OE2 3.35Å; C304-E325 WeakPolarHBondContact SG-CB 3.42Å; D321-E325 WeakPolarHBondContact O-CG 3.4Å; D321-E325 PolarHBondContact O-N 3.47Å; D321-E325 VanDerWaalsContact O-N 3.12Å; E325-H329 PolarHBondContact O-N 3.11Å; E325-H329 IonicContact OE2-CD2 2.99Å; E325-H329 PolarHBondContact OE2-CD2 3.16Å; E325-H329 VanDerWaalsContact OE2-CD2 3.3Å; E325-V330 WeakPolarHBondContact O-CG2 3.38Å; E325-V330 PolarHBondContact O-N 3.35Å; E325-V330 VanDerWaalsContact O-N 3.09Å
326	L	98.7	Very high	93.7	Very high	0 Å²	0	21.7 Å²	21.7	0%	0	11%	0.11	C	C	.	.	I	π-helix	trans	-77.1	-36	-172	-64.9	174.7	0	0	0	112.6	W226 Y258 I263 P264 L266 V269 C322 V330 P331	W226-L326 HydrophobicContact CH2-CB 3.94Å; W226-L326 HydrophobicContact CH2-CD1 4.11Å; W226-L326 HydrophobicContact CZ3-CB 4.1Å; W226-L326 HydrophobicContact CZ3-CD1 4.02Å; Y258-L326 HydrophobicContact CE1-CB 4.36Å; Y258-L326 WeakPolarHBondContact CE1-O 3.42Å; Y258-L326 WeakPolarHBondContact OH-CA 3.39Å; Y258-L326 WeakPolarHBondContact OH-CB 3.29Å; Y258-L326 PolarHBondContact OH-O 2.99Å; I263-L326 HydrophobicContact CG2-CD1 4.25Å; P264-L326 HydrophobicContact CB-CD1 4.13Å; P264-L326 HydrophobicContact CG-CD1 4.22Å; L266-L326 HydrophobicContact CD2-CD2 3.86Å; V269-L326 HydrophobicContact CG1-CD2 4.48Å; V269-L326 HydrophobicContact CG2-CD2 4.32Å; C322-L326 HydrophobicContact CB-CD1 4.3Å; C322-L326 WeakPolarHBondContact O-CB 3.44Å; C322-L326 WeakPolarHBondContact O-CG 3.44Å; C322-L326 PolarHBondContact O-N 3.31Å; L326-V330 HydrophobicContact CD2-CG2 4.16Å; L326-P331 WeakPolarHBondContact O-CD 3.34Å
327	L	98.5	Very high	94.7	Very high	0 Å²	0	18.4 Å²	18.4	0%	0	10%	0.098	C	C	.	.	I	π-helix	trans	-93.1	-28.3	-179	-55.8	175.7	0	0	0	112.5	W226 V229 Y230 L233 Y245 F249 Y258 C323	W226-L327 HydrophobicContact CH2-CD1 4.25Å; W226-L327 HydrophobicContact CH2-CD2 3.6Å; W226-L327 HydrophobicContact CH2-CG 3.79Å; W226-L327 HydrophobicContact CZ2-CD2 3.99Å; W226-L327 HydrophobicContact CZ3-CD1 4.23Å; W226-L327 HydrophobicContact CZ3-CD2 4.34Å; W226-L327 HydrophobicContact CZ3-CG 4.03Å; V229-L327 HydrophobicContact CG1-CD1 4.02Å; Y230-L327 HydrophobicContact CD2-CD1 4.47Å; Y230-L327 HydrophobicContact CD2-CD2 3.7Å; Y230-L327 HydrophobicContact CE2-CD2 3.9Å; L233-L327 HydrophobicContact CD1-CD1 4.01Å; Y245-L327 WeakPolarHBondContact CE2-O 3.17Å; Y245-L327 VanDerWaalsContact CZ-O 3.31Å; Y245-L327 PolarHBondContact OH-O 3.44Å; F249-L327 HydrophobicContact CE2-CD2 3.87Å; F249-L327 HydrophobicContact CZ-CD2 4.32Å; Y258-L327 HydrophobicContact CD1-CD2 4.28Å; Y258-L327 HydrophobicContact CE1-CD2 4.16Å; C323-L327 WeakPolarHBondContact O-CB 3.49Å; C323-L327 WeakPolarHBondContact O-CG 3.19Å; C323-L327 PolarHBondContact O-N 3.1Å
328	G	98.2	Very high	95.5	Very high	0 Å²	0	17 Å²	17	0%	0	9%	0.088	C	C	.	.	I	π-helix	trans	-87.8	-68	178.7	0	0	0	0	0	112.5	H324	H324-G328 WeakPolarHBondContact O-CA 3.48Å; H324-G328 PolarHBondContact O-N 3.34Å
329	H	98.7	Very high	96.7	Very high	3 Å²	3	15.1 Å²	15.1	1%	0.014	8%	0.076	C	C	.	.	I	π-helix	trans	-77.8	-49.9	-169.1	-72.6	-71.7	0	0	0	114.4	F302 H324 E325 M332 L333 Y364 E369 A384	F302-H329 HydrophobicContact CE1-CB 4.09Å; F302-H329 HydrophobicContact CE2-CB 4.07Å; F302-H329 AromaticContact CE2-CG 3.71Å; F302-H329 AromaticContact CE2-ND1 3.78Å; F302-H329 HydrophobicContact CZ-CB 3.71Å; F302-H329 AromaticContact CZ-CD2 3.34Å; F302-H329 WeakPolarHBondContact CZ-CD2 3.39Å; F302-H329 AromaticContact CZ-CG 3.38Å; F302-H329 AromaticContact CZ-ND1 3.89Å; F302-H329 AromaticContact CZ-NE2 3.83Å; H324-H329 AromaticContact CD2-CD2 3.87Å; H324-H329 AromaticContact CD2-NE2 3.88Å; H324-H329 AromaticContact CE1-NE2 3.95Å; H324-H329 AromaticContact NE2-CD2 3.6Å; H324-H329 AromaticContact NE2-NE2 3.16Å; H324-H329 PolarHBondContact NE2-NE2 3.01Å; H324-H329 VanDerWaalsContact NE2-NE2 3.16Å; E325-H329 PolarHBondContact O-N 3.11Å; E325-H329 IonicContact OE2-CD2 2.99Å; E325-H329 PolarHBondContact OE2-CD2 3.16Å; E325-H329 VanDerWaalsContact OE2-CD2 3.3Å; H329-M332 PolarHBondContact O-N 3.26Å; H329-M332 VanDerWaalsContact O-N 3.1Å; H329-L333 HydrophobicContact CB-CD1 4.46Å; H329-L333 PolarHBondContact O-N 3.39Å; H329-L333 VanDerWaalsContact O-N 3.1Å; H329-Y364 PolarHBondContact CE1-OH 3.44Å; H329-E369 IonicContact CE1-OE1 2.69Å; H329-E369 PolarHBondContact CE1-OE1 3.24Å; H329-E369 IonicContact CE1-OE2 2.7Å; H329-E369 IonicContact NE2-OE1 3.66Å; H329-E369 PolarHBondContact NE2-OE1 3.29Å; H329-E369 VanDerWaalsContact NE2-OE1 3.11Å; H329-E369 IonicContact NE2-OE2 2.64Å; H329-A384 HydrophobicContact CB-CB 4.38Å; H329-A384 WeakPolarHBondContact CE1-CB 2.98Å; H329-A384 WeakPolarHBondContact ND1-CB 3.36Å; H329-A384 WeakPolarHBondContact NE2-CB 3.12Å
330	V	98.8	Very high	97.5	Very high	0 Å²	0	16.8 Å²	16.8	0%	0	8%	0.083	C	C	.	.	H	α-helix	trans	-54	-45.1	-168.5	166.1	0	0	0	0	113.6	L252 Y258 V269 L273 L281 E325 L326 M332 L333 A334	L252-V330 HydrophobicContact CD1-CG1 3.84Å; L252-V330 HydrophobicContact CD2-CG1 3.9Å; Y258-V330 WeakPolarHBondContact OH-CG1 3.35Å; V269-V330 HydrophobicContact CG1-CB 4.36Å; V269-V330 HydrophobicContact CG1-CG1 3.43Å; V269-V330 VanDerWaalsContact CG1-CG1 3.43Å; V269-V330 HydrophobicContact CG1-CG2 3.97Å; L273-V330 HydrophobicContact CD1-CG1 4.28Å; L273-V330 HydrophobicContact CD1-CG2 4.44Å; L273-V330 HydrophobicContact CD2-CG1 4.37Å; L273-V330 HydrophobicContact CG-CG1 4.47Å; L281-V330 HydrophobicContact CD1-CG2 4.33Å; L281-V330 HydrophobicContact CD2-CG2 4.35Å; E325-V330 WeakPolarHBondContact O-CG2 3.38Å; E325-V330 PolarHBondContact O-N 3.35Å; E325-V330 VanDerWaalsContact O-N 3.09Å; L326-V330 HydrophobicContact CD2-CG2 4.16Å; V330-M332 VanDerWaalsContact C-N 3.31Å; V330-M332 PolarHBondContact O-N 3.05Å; V330-L333 PolarHBondContact O-N 2.89Å; V330-A334 PolarHBondContact O-N 2.9Å
331	P	98.7	Very high	97.8	Very high	0 Å²	0	15.6 Å²	15.6	0%	0	8%	0.075	C	C	.	.	H	α-helix	trans	-60.3	-41.3	-179.4	-24.9	36.3	0	0	0	112.3	Y245 A248 F249 L252 L326 A334	Y245-P331 HydrophobicContact CD2-CB 3.53Å; Y245-P331 HydrophobicContact CD2-CG 4.03Å; Y245-P331 HydrophobicContact CE2-CB 3.52Å; Y245-P331 HydrophobicContact CE2-CG 3.45Å; Y245-P331 VanDerWaalsContact CE2-CG 3.45Å; Y245-P331 HydrophobicContact CG-CB 4.23Å; A248-P331 HydrophobicContact CB-CB 4.04Å; A248-P331 WeakPolarHBondContact CB-O 3.26Å; F249-P331 HydrophobicContact CD2-CG 4.1Å; L252-P331 HydrophobicContact CD1-CB 4.03Å; L252-P331 HydrophobicContact CD1-CG 3.72Å; L326-P331 WeakPolarHBondContact O-CD 3.34Å; P331-A334 WeakPolarHBondContact O-CB 3.36Å; P331-A334 PolarHBondContact O-N 3.23Å
332	M	98.5	Very high	97.9	Very high	1 Å²	1	15.6 Å²	15.6	1%	0.005	8%	0.076	C	C	.	.	H	α-helix	trans	-69.8	-35	178.8	-69.3	-53.7	-56.2	0	0	112.5	C242 E244 Y245 H329 V330 A334 D335 F338 F431	C242-M332 VanDerWaalsContact SG-SD 3.67Å; E244-M332 HydrophobicContact CB-CE 4.39Å; Y245-M332 HydrophobicContact CD2-CG 4.26Å; Y245-M332 HydrophobicContact CD2-SD 4.32Å; H329-M332 PolarHBondContact O-N 3.26Å; H329-M332 VanDerWaalsContact O-N 3.1Å; V330-M332 VanDerWaalsContact C-N 3.31Å; V330-M332 PolarHBondContact O-N 3.05Å; M332-A334 PolarHBondContact O-N 3.36Å; M332-A334 VanDerWaalsContact O-N 3.17Å; M332-D335 PolarHBondContact O-N 2.87Å; M332-F338 VanDerWaalsContact C-CD1 3.49Å; M332-F338 HydrophobicContact CB-CD1 3.56Å; M332-F338 HydrophobicContact CB-CD2 4.37Å; M332-F338 HydrophobicContact CB-CE1 3.52Å; M332-F338 HydrophobicContact CB-CE2 4.35Å; M332-F338 HydrophobicContact CB-CG 3.97Å; M332-F338 HydrophobicContact CB-CZ 3.93Å; M332-F338 HydrophobicContact CE-CB 4.01Å; M332-F338 HydrophobicContact CE-CD1 4.48Å; M332-F338 HydrophobicContact CE-CD2 3.58Å; M332-F338 HydrophobicContact CE-CE2 4.15Å; M332-F338 HydrophobicContact CE-CG 3.76Å; M332-F338 WeakPolarHBondContact O-CB 3.37Å; M332-F338 VanDerWaalsContact O-CD1 3.29Å; M332-F338 WeakPolarHBondContact O-CD1 3.13Å; M332-F431 HydrophobicContact CE-CE1 4.03Å; M332-F431 HydrophobicContact CE-CE2 3.83Å; M332-F431 HydrophobicContact CE-CZ 3.43Å; M332-F431 VanDerWaalsContact CE-CZ 3.43Å
333	L	98.7	Very high	98	Very high	2 Å²	2	15.9 Å²	15.9	1%	0.01	8%	0.077	C	C	.	.	H	α-helix	trans	-65	-16.2	174.7	-66.5	176	0	0	0	113.6	L273 T277 F279 F302 H329 V330 D335 F338	L273-L333 HydrophobicContact CD1-CB 4.4Å; L273-L333 HydrophobicContact CD2-CB 3.98Å; T277-L333 WeakPolarHBondContact CB-O 3.46Å; T277-L333 VanDerWaalsContact CG2-O 3.29Å; T277-L333 WeakPolarHBondContact CG2-O 3.44Å; T277-L333 PolarHBondContact OG1-O 3.22Å; F279-L333 HydrophobicContact CD1-CD1 4.1Å; F279-L333 HydrophobicContact CD1-CD2 3.89Å; F279-L333 HydrophobicContact CD1-CG 4.43Å; F279-L333 HydrophobicContact CE1-CD1 4.45Å; F279-L333 HydrophobicContact CE1-CD2 3.69Å; F279-L333 HydrophobicContact CE2-CD2 4.4Å; F279-L333 HydrophobicContact CG-CD2 4.32Å; F279-L333 HydrophobicContact CZ-CD2 3.97Å; F302-L333 HydrophobicContact CB-CD1 3.75Å; F302-L333 HydrophobicContact CD1-CD1 4.27Å; F302-L333 HydrophobicContact CD2-CD1 3.82Å; F302-L333 HydrophobicContact CG-CD1 3.67Å; H329-L333 HydrophobicContact CB-CD1 4.46Å; H329-L333 PolarHBondContact O-N 3.39Å; H329-L333 VanDerWaalsContact O-N 3.1Å; V330-L333 PolarHBondContact O-N 2.89Å; L333-D335 VanDerWaalsContact C-N 3.35Å; L333-F338 HydrophobicContact CD2-CD1 4.36Å; L333-F338 HydrophobicContact CD2-CE1 4.26Å
334	A	98.3	Very high	98	Very high	3 Å²	3	16.6 Å²	16.6	3%	0.025	8%	0.081	C	C	.	.	T	Hydrogen-bonded Turn	trans	-82.7	-9.6	173.5	0	0	0	0	0	113.6	A248 F272 L273 T277 V330 P331 M332	A248-A334 HydrophobicContact CB-CB 3.97Å; F272-A334 HydrophobicContact CE1-CB 3.93Å; L273-A334 HydrophobicContact CD2-CB 3.86Å; T277-A334 WeakPolarHBondContact CG2-O 3.44Å; V330-A334 PolarHBondContact O-N 2.9Å; P331-A334 WeakPolarHBondContact O-CB 3.36Å; P331-A334 PolarHBondContact O-N 3.23Å; M332-A334 PolarHBondContact O-N 3.36Å; M332-A334 VanDerWaalsContact O-N 3.17Å
335	D	98	Very high	98	Very high	36 Å²	36	15.5 Å²	15.5	19%	0.193	8%	0.076	C	C	.	.	S	Bend	trans	-85	136.9	168.9	175.4	-104.7	0	0	0	111.3	E244 M332 L333 T337 F338 A339	E244-D335 HydrophobicContact CB-CB 4.37Å; M332-D335 PolarHBondContact O-N 2.87Å; L333-D335 VanDerWaalsContact C-N 3.35Å; D335-T337 WeakPolarHBondContact OD1-CA 3.37Å; D335-T337 WeakPolarHBondContact OD1-CB 3.3Å; D335-T337 PolarHBondContact OD1-N 3.32Å; D335-F338 HydrophobicContact CB-CB 4.09Å; D335-F338 PolarHBondContact OD1-N 2.74Å; D335-A339 WeakPolarHBondContact O-CB 3.37Å; D335-A339 PolarHBondContact O-N 3.13Å
336	K	96.9	Very high	98	Very high	155 Å²	155	15.1 Å²	15.1	67%	0.674	7%	0.074	S	C	*	.	H	α-helix	trans	-69.7	-37	-175.1	-67.8	-178.7	179.1	-179.1	0	112.8	T277 Q340	T277-K336 HydrophobicContact CG2-CG 4.23Å; K336-Q340 PolarHBondContact O-N 2.85Å; K336-Q340 VanDerWaalsContact O-N 3.14Å
337	T	95.9	Very high	97.9	Very high	46 Å²	46	16.4 Å²	16.4	28%	0.282	8%	0.081	S	C	.	.	H	α-helix	trans	-73.7	-43.8	-177.4	-52.4	0	0	0	0	109.8	D335 Q340 F341 F431	D335-T337 WeakPolarHBondContact OD1-CA 3.37Å; D335-T337 WeakPolarHBondContact OD1-CB 3.3Å; D335-T337 PolarHBondContact OD1-N 3.32Å; T337-Q340 PolarHBondContact O-N 3.31Å; T337-F341 WeakPolarHBondContact O-CB 3.41Å; T337-F341 PolarHBondContact O-N 2.75Å; T337-F431 HydrophobicContact CG2-CB 3.61Å
338	F	97.6	Very high	97.9	Very high	2 Å²	2	16.5 Å²	16.5	1%	0.009	8%	0.082	C	C	.	.	H	α-helix	trans	-65.5	-44.6	175.9	-168.4	-91.4	0	0	0	112.3	M332 L333 D335 Q340 F341 S342 V368 Y382 F431	M332-F338 VanDerWaalsContact C-CD1 3.49Å; M332-F338 HydrophobicContact CB-CD1 3.56Å; M332-F338 HydrophobicContact CB-CD2 4.37Å; M332-F338 HydrophobicContact CB-CE1 3.52Å; M332-F338 HydrophobicContact CB-CE2 4.35Å; M332-F338 HydrophobicContact CB-CG 3.97Å; M332-F338 HydrophobicContact CB-CZ 3.93Å; M332-F338 HydrophobicContact CE-CB 4.01Å; M332-F338 HydrophobicContact CE-CD1 4.48Å; M332-F338 HydrophobicContact CE-CD2 3.58Å; M332-F338 HydrophobicContact CE-CE2 4.15Å; M332-F338 HydrophobicContact CE-CG 3.76Å; M332-F338 WeakPolarHBondContact O-CB 3.37Å; M332-F338 VanDerWaalsContact O-CD1 3.29Å; M332-F338 WeakPolarHBondContact O-CD1 3.13Å; L333-F338 HydrophobicContact CD2-CD1 4.36Å; L333-F338 HydrophobicContact CD2-CE1 4.26Å; D335-F338 HydrophobicContact CB-CB 4.09Å; D335-F338 PolarHBondContact OD1-N 2.74Å; F338-Q340 VanDerWaalsContact C-N 3.28Å; F338-Q340 PolarHBondContact O-N 2.69Å; F338-F341 HydrophobicContact CE2-CD1 4.4Å; F338-F341 WeakPolarHBondContact O-CA 3.3Å; F338-F341 WeakPolarHBondContact O-CB 3.1Å; F338-F341 PolarHBondContact O-N 3.36Å; F338-S342 WeakPolarHBondContact CE1-OG 3.34Å; F338-S342 PolarHBondContact O-N 3.34Å; F338-S342 PolarHBondContact O-OG 3.43Å; F338-V368 HydrophobicContact CE1-CG1 4.4Å; F338-V368 HydrophobicContact CZ-CB 4.3Å; F338-V368 HydrophobicContact CZ-CG1 3.97Å; F338-V368 HydrophobicContact CZ-CG2 4.06Å; F338-Y382 HydrophobicContact CD2-CD2 4.3Å; F338-Y382 HydrophobicContact CD2-CE2 4.48Å; F338-Y382 AromaticContact CE2-CD2 3.55Å; F338-Y382 HydrophobicContact CE2-CD2 3.55Å; F338-Y382 AromaticContact CE2-CE2 3.62Å; F338-Y382 HydrophobicContact CE2-CE2 3.62Å; F338-Y382 HydrophobicContact CZ-CD2 4.33Å; F338-Y382 HydrophobicContact CZ-CE2 4.47Å; F338-F431 HydrophobicContact CD2-CD1 4.24Å; F338-F431 HydrophobicContact CD2-CE1 4.15Å
339	A	98	Very high	97.8	Very high	1 Å²	1	16.6 Å²	16.6	1%	0.008	8%	0.082	C	C	.	.	H	α-helix	trans	-56.7	-42.7	173.9	0	0	0	0	0	112.1	T277 F279 D335 Q343	T277-A339 HydrophobicContact CG2-CB 3.9Å; F279-A339 HydrophobicContact CD2-CB 3.73Å; F279-A339 HydrophobicContact CE2-CB 3.77Å; F279-A339 WeakPolarHBondContact CE2-O 3.35Å; D335-A339 WeakPolarHBondContact O-CB 3.37Å; D335-A339 PolarHBondContact O-N 3.13Å; A339-Q343 WeakPolarHBondContact O-CB 3.11Å; A339-Q343 PolarHBondContact O-N 2.85Å
340	Q	97.1	Very high	97.6	Very high	42 Å²	42	16.5 Å²	16.5	20%	0.196	8%	0.082	C	C	.	.	H	α-helix	trans	-65.9	-40.9	175.1	-171.4	62.9	57	0	0	111.9	K336 T337 F338 Q343 D344	K336-Q340 PolarHBondContact O-N 2.85Å; K336-Q340 VanDerWaalsContact O-N 3.14Å; T337-Q340 PolarHBondContact O-N 3.31Å; F338-Q340 VanDerWaalsContact C-N 3.28Å; F338-Q340 PolarHBondContact O-N 2.69Å; Q340-Q343 PolarHBondContact O-N 2.85Å; Q340-D344 PolarHBondContact NE2-OD1 2.96Å; Q340-D344 WeakPolarHBondContact O-CB 3.37Å; Q340-D344 PolarHBondContact O-N 3.17Å
341	F	97.2	Very high	97.2	Very high	4 Å²	4	16.9 Å²	16.9	2%	0.018	9%	0.085	C	C	.	.	H	α-helix	trans	-57.8	-50.4	175.2	171.5	-96.9	0	0	0	111.6	T337 F338 Q343 D344 I345 T367 V368 A434 R435 L438	T337-F341 WeakPolarHBondContact O-CB 3.41Å; T337-F341 PolarHBondContact O-N 2.75Å; F338-F341 HydrophobicContact CE2-CD1 4.4Å; F338-F341 WeakPolarHBondContact O-CA 3.3Å; F338-F341 WeakPolarHBondContact O-CB 3.1Å; F338-F341 PolarHBondContact O-N 3.36Å; F341-Q343 VanDerWaalsContact C-N 3.32Å; F341-Q343 PolarHBondContact O-N 3.34Å; F341-D344 PolarHBondContact O-N 3.31Å; F341-D344 VanDerWaalsContact O-N 3.14Å; F341-I345 HydrophobicContact CD1-CD1 4.37Å; F341-I345 HydrophobicContact CE1-CD1 3.74Å; F341-I345 HydrophobicContact CZ-CD1 3.95Å; F341-I345 PolarHBondContact O-N 2.97Å; F341-I345 VanDerWaalsContact O-N 3.14Å; F341-T367 HydrophobicContact CZ-CG2 3.9Å; F341-T367 WeakPolarHBondContact CZ-OG1 3.17Å; F341-V368 HydrophobicContact CD1-CG2 4.34Å; F341-V368 HydrophobicContact CE1-CG2 3.86Å; F341-A434 HydrophobicContact CE2-CB 4.17Å; F341-R435 HydrophobicContact CB-CB 4.47Å; F341-R435 HydrophobicContact CD2-CB 4.14Å; F341-L438 HydrophobicContact CD2-CB 4.46Å; F341-L438 HydrophobicContact CD2-CD2 3.73Å; F341-L438 HydrophobicContact CE2-CB 3.96Å; F341-L438 HydrophobicContact CE2-CD2 3.5Å; F341-L438 VanDerWaalsContact CE2-CD2 3.5Å; F341-L438 HydrophobicContact CE2-CG 4.27Å; F341-L438 HydrophobicContact CZ-CD2 4.1Å
342	S	98.1	Very high	96.9	Very high	1 Å²	1	17 Å²	17	1%	0.007	9%	0.086	C	C	.	.	H	α-helix	trans	-61.3	-39.7	176.7	-55.6	0	0	0	0	112.2	F338 I345 G346	F338-S342 WeakPolarHBondContact CE1-OG 3.34Å; F338-S342 PolarHBondContact O-N 3.34Å; F338-S342 PolarHBondContact O-OG 3.43Å; S342-I345 PolarHBondContact O-N 3.4Å; S342-G346 PolarHBondContact O-N 3.41Å; S342-G346 VanDerWaalsContact O-N 3.15Å
343	Q	98.4	Very high	96.5	Very high	5 Å²	5	20.1 Å²	20.1	2%	0.023	11%	0.105	C	C	.	.	H	α-helix	trans	-65.4	-38.2	175	-173.4	179.3	28.7	0	0	112.3	L297 A298 R300 A339 Q340 F341 I345 G346 L347	L297-Q343 WeakPolarHBondContact O-CA 3.4Å; A298-Q343 PolarHBondContact O-NE2 2.98Å; R300-Q343 HydrophobicContact CG-CB 4.31Å; R300-Q343 HydrophobicContact CG-CG 4.16Å; R300-Q343 VanDerWaalsContact CZ-OE1 3.31Å; A339-Q343 WeakPolarHBondContact O-CB 3.11Å; A339-Q343 PolarHBondContact O-N 2.85Å; Q340-Q343 PolarHBondContact O-N 2.85Å; F341-Q343 VanDerWaalsContact C-N 3.32Å; F341-Q343 PolarHBondContact O-N 3.34Å; Q343-I345 VanDerWaalsContact C-N 3.33Å; Q343-I345 PolarHBondContact O-N 3.09Å; Q343-G346 CarbonylContact O-C 3.51Å; Q343-G346 WeakPolarHBondContact O-CA 3.12Å; Q343-G346 PolarHBondContact O-N 3.14Å; Q343-G346 VanDerWaalsContact O-N 3.1Å; Q343-L347 HydrophobicContact CG-CD1 4.16Å; Q343-L347 HydrophobicContact CG-CG 4.38Å; Q343-L347 WeakPolarHBondContact O-CG 3.42Å; Q343-L347 PolarHBondContact O-N 3.48Å
344	D	97.3	Very high	96	Very high	16 Å²	16	22.2 Å²	22.2	9%	0.086	12%	0.117	C	C	.	.	H	α-helix	trans	-64	-38.4	178.5	-67.9	-18.6	0	0	0	110.9	Q340 F341 G346 L347 A348 R435 L438 R439	Q340-D344 PolarHBondContact NE2-OD1 2.96Å; Q340-D344 WeakPolarHBondContact O-CB 3.37Å; Q340-D344 PolarHBondContact O-N 3.17Å; F341-D344 PolarHBondContact O-N 3.31Å; F341-D344 VanDerWaalsContact O-N 3.14Å; D344-G346 VanDerWaalsContact C-N 3.33Å; D344-L347 PolarHBondContact O-N 3.43Å; D344-A348 WeakPolarHBondContact O-CB 3.43Å; D344-A348 PolarHBondContact O-N 3.13Å; D344-R435 WeakPolarHBondContact OD2-CG 3.49Å; D344-L438 HydrophobicContact CB-CD2 4.18Å; D344-R439 IonicContact OD1-NE 3.07Å; D344-R439 IonicContact OD1-NH2 2.75Å; D344-R439 PolarHBondContact OD1-NH2 2.94Å; D344-R439 IonicContact OD2-CZ 2.75Å; D344-R439 VanDerWaalsContact OD2-CZ 3.26Å; D344-R439 IonicContact OD2-NE 3.71Å; D344-R439 PolarHBondContact OD2-NE 2.96Å; D344-R439 IonicContact OD2-NH2 3.36Å; D344-R439 PolarHBondContact OD2-NH2 3.49Å
345	I	97.7	Very high	95.7	Very high	0 Å²	0	27.7 Å²	27.7	0%	0	14%	0.142	C	C	.	.	H	α-helix	trans	-58.9	-47.3	169.8	-59.4	177.8	0	0	0	109.9	L294 F341 S342 Q343 L347 A348 S349 Y364 V368 L438	L294-I345 HydrophobicContact CD2-CG2 3.84Å; F341-I345 HydrophobicContact CD1-CD1 4.37Å; F341-I345 HydrophobicContact CE1-CD1 3.74Å; F341-I345 HydrophobicContact CZ-CD1 3.95Å; F341-I345 PolarHBondContact O-N 2.97Å; F341-I345 VanDerWaalsContact O-N 3.14Å; S342-I345 PolarHBondContact O-N 3.4Å; Q343-I345 VanDerWaalsContact C-N 3.33Å; Q343-I345 PolarHBondContact O-N 3.09Å; I345-L347 PolarHBondContact O-N 3.26Å; I345-A348 WeakPolarHBondContact O-CB 3.4Å; I345-A348 PolarHBondContact O-N 2.81Å; I345-S349 PolarHBondContact O-N 3.18Å; I345-S349 VanDerWaalsContact O-N 3.16Å; I345-Y364 HydrophobicContact CD1-CD2 4.17Å; I345-V368 HydrophobicContact CD1-CG2 4.03Å; I345-L438 HydrophobicContact CB-CD2 4.42Å; I345-L438 HydrophobicContact CD1-CD2 4.25Å; I345-L438 HydrophobicContact CG1-CD1 4.21Å; I345-L438 HydrophobicContact CG1-CD2 3.32Å; I345-L438 HydrophobicContact CG1-CG 4.38Å
346	G	98	Very high	95.6	Very high	0 Å²	0	27.5 Å²	27.5	0%	0	14%	0.14	C	C	.	.	H	α-helix	trans	-62.1	-41.2	179.5	0	0	0	0	0	113.4	L294 S342 Q343 D344 A348 S349 L350	L294-G346 WeakPolarHBondContact O-CA 3.39Å; S342-G346 PolarHBondContact O-N 3.41Å; S342-G346 VanDerWaalsContact O-N 3.15Å; Q343-G346 CarbonylContact O-C 3.51Å; Q343-G346 WeakPolarHBondContact O-CA 3.12Å; Q343-G346 PolarHBondContact O-N 3.14Å; Q343-G346 VanDerWaalsContact O-N 3.1Å; D344-G346 VanDerWaalsContact C-N 3.33Å; G346-A348 VanDerWaalsContact C-N 3.32Å; G346-A348 PolarHBondContact O-N 3.24Å; G346-S349 PolarHBondContact O-N 3.14Å; G346-S349 PolarHBondContact O-OG 2.88Å; G346-L350 WeakPolarHBondContact O-CG 3.41Å
347	L	97.9	Very high	95.5	Very high	28 Å²	28	20.6 Å²	20.6	15%	0.147	11%	0.11	C	C	.	.	H	α-helix	trans	-66.5	-34.3	175.9	-71.6	168.4	0	0	0	112.3	A298 Q343 D344 I345 S349 L350 R447 V451 I460	A298-L347 HydrophobicContact CB-CD2 4.11Å; A298-L347 HydrophobicContact CB-CG 4.32Å; Q343-L347 HydrophobicContact CG-CD1 4.16Å; Q343-L347 HydrophobicContact CG-CG 4.38Å; Q343-L347 WeakPolarHBondContact O-CG 3.42Å; Q343-L347 PolarHBondContact O-N 3.48Å; D344-L347 PolarHBondContact O-N 3.43Å; I345-L347 PolarHBondContact O-N 3.26Å; L347-S349 VanDerWaalsContact C-N 3.25Å; L347-S349 PolarHBondContact O-N 3.33Å; L347-L350 HydrophobicContact CD2-CD1 4.19Å; L347-R447 PolarHBondContact O-NH1 3.26Å; L347-V451 HydrophobicContact CB-CG2 4.26Å; L347-V451 HydrophobicContact CD2-CG2 4.09Å; L347-V451 WeakPolarHBondContact O-CG2 3.24Å; L347-I460 HydrophobicContact CD2-CD1 3.84Å
348	A	97.1	Very high	95.5	Very high	2 Å²	2	24.8 Å²	24.8	2%	0.017	13%	0.126	C	C	.	.	H	α-helix	trans	-63.6	-32	174.2	0	0	0	0	0	112.2	D344 I345 G346 L360 A442 I445 R447	D344-A348 WeakPolarHBondContact O-CB 3.43Å; D344-A348 PolarHBondContact O-N 3.13Å; I345-A348 WeakPolarHBondContact O-CB 3.4Å; I345-A348 PolarHBondContact O-N 2.81Å; G346-A348 VanDerWaalsContact C-N 3.32Å; G346-A348 PolarHBondContact O-N 3.24Å; A348-L360 HydrophobicContact CB-CD1 4Å; A348-L360 HydrophobicContact CB-CD2 3.76Å; A348-A442 HydrophobicContact CB-CB 3.76Å; A348-I445 HydrophobicContact CB-CD1 4.06Å; A348-R447 PolarHBondContact O-NH1 2.89Å
349	S	96.9	Very high	95.5	Very high	2 Å²	2	26.7 Å²	26.7	1%	0.014	14%	0.135	C	C	.	.	H	α-helix	trans	-74.2	-26.4	-177.9	87.8	0	0	0	0	114	A295 I345 G346 L347 G351 A352	A295-S349 PolarHBondContact N-OG 3.17Å; I345-S349 PolarHBondContact O-N 3.18Å; I345-S349 VanDerWaalsContact O-N 3.16Å; G346-S349 PolarHBondContact O-N 3.14Å; G346-S349 PolarHBondContact O-OG 2.88Å; L347-S349 VanDerWaalsContact C-N 3.25Å; L347-S349 PolarHBondContact O-N 3.33Å; S349-G351 PolarHBondContact O-N 3.16Å; S349-A352 WeakPolarHBondContact O-CB 3.45Å; S349-A352 PolarHBondContact O-N 3.33Å
350	L	95.2	Very high	95.5	Very high	1 Å²	1	26.7 Å²	26.7	1%	0.005	13%	0.134	C	C	.	.	T	Hydrogen-bonded Turn	trans	-63.4	111.6	-172.8	-58.5	-173.6	0	0	0	112.1	F160 A295 A298 G346 L347 A352 R447 V451 I460	F160-L350 HydrophobicContact CB-CB 4.31Å; F160-L350 HydrophobicContact CB-CD2 3.97Å; F160-L350 HydrophobicContact CD1-CB 4.26Å; F160-L350 HydrophobicContact CD2-CB 3.83Å; F160-L350 HydrophobicContact CD2-CD1 4.04Å; F160-L350 HydrophobicContact CD2-CD2 4.03Å; F160-L350 HydrophobicContact CD2-CG 4.18Å; F160-L350 HydrophobicContact CE2-CB 4.18Å; F160-L350 HydrophobicContact CE2-CD1 4.23Å; F160-L350 HydrophobicContact CG-CB 3.89Å; F160-L350 HydrophobicContact CG-CD2 4.24Å; A295-L350 HydrophobicContact CB-CD2 3.89Å; A298-L350 HydrophobicContact CB-CD1 3.84Å; A298-L350 HydrophobicContact CB-CD2 3.98Å; A298-L350 HydrophobicContact CB-CG 4.05Å; G346-L350 WeakPolarHBondContact O-CG 3.41Å; L347-L350 HydrophobicContact CD2-CD1 4.19Å; L350-A352 PolarHBondContact O-N 2.65Å; L350-R447 WeakPolarHBondContact O-CD 3.29Å; L350-R447 PolarHBondContact O-NH1 3.46Å; L350-V451 HydrophobicContact CB-CG1 4.35Å; L350-V451 HydrophobicContact CD1-CG2 4.38Å; L350-I460 HydrophobicContact CD1-CB 4.38Å; L350-I460 HydrophobicContact CD1-CD1 3.59Å; L350-I460 HydrophobicContact CD1-CG1 3.68Å; L350-I460 HydrophobicContact CD1-CG2 3.89Å
351	G	90.5	Very high	95.5	Very high	7 Å²	7	25.7 Å²	25.7	7%	0.072	13%	0.133	C	C	.	.	T	Hydrogen-bonded Turn	trans	70.7	13.4	-178.3	0	0	0	0	0	114.7	H158 S349	H158-G351 WeakPolarHBondContact O-CA 3.41Å; S349-G351 PolarHBondContact O-N 3.16Å
352	A	92.4	Very high	95.5	Very high	2 Å²	2	26.3 Å²	26.3	2%	0.017	14%	0.138	C	C	.	.			trans	-69.6	152.5	170.5	0	0	0	0	0	110.9	H158 R291 S349 L350 E356 I357 I445	H158-A352 PolarHBondContact ND1-O 3.29Å; R291-A352 VanDerWaalsContact CZ-O 3.3Å; R291-A352 PolarHBondContact NH1-O 3.21Å; R291-A352 PolarHBondContact NH2-O 3.11Å; S349-A352 WeakPolarHBondContact O-CB 3.45Å; S349-A352 PolarHBondContact O-N 3.33Å; L350-A352 PolarHBondContact O-N 2.65Å; A352-E356 HydrophobicContact CB-CB 3.99Å; A352-I357 HydrophobicContact CB-CD1 4.14Å; A352-I357 HydrophobicContact CB-CG1 4.4Å; A352-I445 HydrophobicContact CB-CG2 4.48Å
353	T	89.9	Confident	95.5	Very high	67 Å²	67	26.3 Å²	26.3	41%	0.411	14%	0.137	S	C	.	.			trans	-66.2	166.7	173	61.3	0	0	0	0	110.7	R291 E355 E356 I357	R291-T353 PolarHBondContact NH2-O 2.99Å; T353-E355 VanDerWaalsContact C-N 3.33Å; T353-E355 PolarHBondContact O-N 3.03Å; T353-E356 PolarHBondContact O-N 3.46Å; T353-E356 WeakPolarHBondContact OG1-CG 3.43Å; T353-E356 PolarHBondContact OG1-N 3.22Å; T353-I357 WeakPolarHBondContact O-CG1 3.48Å; T353-I357 PolarHBondContact O-N 3.16Å
354	D	88.1	Confident	95.5	Very high	47 Å²	47	26.8 Å²	26.8	25%	0.251	14%	0.139	S	C	.	.	H	α-helix	trans	-64.8	-38	179.2	-58.8	-46	0	0	0	112.4	H106 H158 R291 E356 I357 E358	H106-D354 IonicContact CG-OD2 3.01Å; H106-D354 IonicContact ND1-OD1 3.31Å; H106-D354 IonicContact ND1-OD2 2.73Å; H158-D354 IonicContact CE1-OD1 3.69Å; H158-D354 IonicContact CE1-OD2 3.57Å; H158-D354 PolarHBondContact CE1-OD2 2.64Å; H158-D354 IonicContact ND1-OD1 3.54Å; R291-D354 IonicContact CZ-OD1 3.72Å; R291-D354 IonicContact NE-OD1 2.66Å; R291-D354 IonicContact NH2-OD1 2.79Å; R291-D354 PolarHBondContact NH2-OD1 2.8Å; D354-E356 VanDerWaalsContact C-N 3.29Å; D354-E356 PolarHBondContact O-N 3.39Å; D354-I357 WeakPolarHBondContact O-CB 3.49Å; D354-I357 PolarHBondContact O-N 3.3Å; D354-I357 VanDerWaalsContact O-N 3.12Å; D354-E358 WeakPolarHBondContact O-CG 3.36Å; D354-E358 PolarHBondContact O-N 3.4Å
355	E	91.9	Very high	95.5	Very high	117 Å²	117	27.9 Å²	27.9	55%	0.547	14%	0.142	S	C	.	.	H	α-helix	trans	-57.7	-42.1	173.6	-172.8	-169.2	154.4	0	0	111.9	T353 E358 K359	T353-E355 VanDerWaalsContact C-N 3.33Å; T353-E355 PolarHBondContact O-N 3.03Å; E355-E358 PolarHBondContact O-N 3.47Å; E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.86Å; E355-K359 VanDerWaalsContact O-N 3.11Å; E355-K359 WeakPolarHBondContact OE1-CE 3.2Å; E355-K359 IonicContact OE1-NZ 3.52Å; E355-K359 PolarHBondContact OE1-NZ 3.29Å
356	E	95.2	Very high	95.6	Very high	33 Å²	33	28 Å²	28	15%	0.154	14%	0.143	C	C	.	.	H	α-helix	trans	-73.9	-30.8	177.9	-67.7	-59	138.2	0	0	111.9	A352 T353 D354 K359 L360 I445	A352-E356 HydrophobicContact CB-CB 3.99Å; T353-E356 PolarHBondContact O-N 3.46Å; T353-E356 WeakPolarHBondContact OG1-CG 3.43Å; T353-E356 PolarHBondContact OG1-N 3.22Å; D354-E356 VanDerWaalsContact C-N 3.29Å; D354-E356 PolarHBondContact O-N 3.39Å; E356-K359 PolarHBondContact O-N 3.3Å; E356-K359 IonicContact OE1-NZ 2.61Å; E356-K359 PolarHBondContact OE1-NZ 3.15Å; E356-L360 WeakPolarHBondContact O-CB 3.35Å; E356-L360 WeakPolarHBondContact O-CG 3.41Å; E356-L360 PolarHBondContact O-N 2.92Å; E356-I445 HydrophobicContact CB-CG2 4.42Å; E356-I445 HydrophobicContact CG-CG2 4.21Å
357	I	95.7	Very high	95.6	Very high	10 Å²	10	28 Å²	28	5%	0.051	14%	0.143	C	C	.	.	H	α-helix	trans	-63.9	-41.9	170.3	-69.9	-60.1	0	0	0	111.1	A290 R291 A352 T353 D354 L360 A361	A290-I357 HydrophobicContact CB-CG2 3.73Å; R291-I357 HydrophobicContact CB-CG1 4.46Å; R291-I357 HydrophobicContact CB-CG2 4.3Å; R291-I357 VanDerWaalsContact CZ-CG1 3.5Å; R291-I357 VanDerWaalsContact NH2-CG1 3.33Å; A352-I357 HydrophobicContact CB-CD1 4.14Å; A352-I357 HydrophobicContact CB-CG1 4.4Å; T353-I357 WeakPolarHBondContact O-CG1 3.48Å; T353-I357 PolarHBondContact O-N 3.16Å; D354-I357 WeakPolarHBondContact O-CB 3.49Å; D354-I357 PolarHBondContact O-N 3.3Å; D354-I357 VanDerWaalsContact O-N 3.12Å; I357-L360 PolarHBondContact O-N 2.8Å; I357-A361 WeakPolarHBondContact O-CB 3.29Å; I357-A361 PolarHBondContact O-N 3.38Å
358	E	96	Very high	95.6	Very high	133 Å²	133	26.8 Å²	26.8	62%	0.621	14%	0.137	S	C	*	.	H	α-helix	trans	-60.6	-47.4	175.9	-72.6	176	-177.3	0	0	111	D354 E355 L360 A361 T362	D354-E358 WeakPolarHBondContact O-CG 3.36Å; D354-E358 PolarHBondContact O-N 3.4Å; E355-E358 PolarHBondContact O-N 3.47Å; E358-L360 PolarHBondContact O-N 2.87Å; E358-A361 WeakPolarHBondContact O-CB 3.36Å; E358-A361 PolarHBondContact O-N 2.88Å; E358-T362 PolarHBondContact O-N 3Å; E358-T362 PolarHBondContact O-OG1 3.26Å
359	K	97.5	Very high	95.6	Very high	43 Å²	43	27.9 Å²	27.9	19%	0.187	14%	0.141	C	C	.	.	H	α-helix	trans	-59.8	-44.2	175.2	-73.1	176.4	-163.3	160.3	0	112.7	E355 E356 A361 T362 L363 A412 Y441	E355-K359 WeakPolarHBondContact O-CG 3.48Å; E355-K359 PolarHBondContact O-N 2.86Å; E355-K359 VanDerWaalsContact O-N 3.11Å; E355-K359 WeakPolarHBondContact OE1-CE 3.2Å; E355-K359 IonicContact OE1-NZ 3.52Å; E355-K359 PolarHBondContact OE1-NZ 3.29Å; E356-K359 PolarHBondContact O-N 3.3Å; E356-K359 IonicContact OE1-NZ 2.61Å; E356-K359 PolarHBondContact OE1-NZ 3.15Å; K359-A361 VanDerWaalsContact C-N 3.34Å; K359-T362 WeakPolarHBondContact O-CB 3.44Å; K359-T362 PolarHBondContact O-N 2.91Å; K359-L363 WeakPolarHBondContact O-CG 3.29Å; K359-L363 PolarHBondContact O-N 3.46Å; K359-A412 HydrophobicContact CB-CB 4.01Å; K359-A412 HydrophobicContact CG-CB 4.27Å; K359-Y441 WeakPolarHBondContact CB-OH 3.43Å; K359-Y441 WeakPolarHBondContact CD-OH 3.42Å
360	L	97.8	Very high	95.6	Very high	0 Å²	0	28.7 Å²	28.7	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-65.6	-35.8	176.4	-73.4	168.9	0	0	0	112.3	L294 A348 E356 I357 E358 L363 Y364 Y441 I445	L294-L360 HydrophobicContact CD1-CB 3.91Å; A348-L360 HydrophobicContact CB-CD1 4Å; A348-L360 HydrophobicContact CB-CD2 3.76Å; E356-L360 WeakPolarHBondContact O-CB 3.35Å; E356-L360 WeakPolarHBondContact O-CG 3.41Å; E356-L360 PolarHBondContact O-N 2.92Å; I357-L360 PolarHBondContact O-N 2.8Å; E358-L360 PolarHBondContact O-N 2.87Å; L360-L363 HydrophobicContact CD2-CD1 4.35Å; L360-L363 PolarHBondContact O-N 3.18Å; L360-Y364 WeakPolarHBondContact O-CB 3.43Å; L360-Y364 PolarHBondContact O-N 3.1Å; L360-Y441 HydrophobicContact CD2-CE1 4.36Å; L360-I445 HydrophobicContact CD1-CD1 4.15Å; L360-I445 HydrophobicContact CD2-CD1 4.22Å; L360-I445 HydrophobicContact CG-CD1 4.38Å
361	A	96.9	Very high	95.8	Very high	21 Å²	21	28.7 Å²	28.7	17%	0.174	14%	0.144	C	C	.	.	H	α-helix	trans	-66	-40.1	173.6	0	0	0	0	0	111.3	A290 I357 E358 K359 Y364 W365	A290-A361 HydrophobicContact CB-CB 4.03Å; I357-A361 WeakPolarHBondContact O-CB 3.29Å; I357-A361 PolarHBondContact O-N 3.38Å; E358-A361 WeakPolarHBondContact O-CB 3.36Å; E358-A361 PolarHBondContact O-N 2.88Å; K359-A361 VanDerWaalsContact C-N 3.34Å; A361-Y364 WeakPolarHBondContact O-CB 3.03Å; A361-Y364 PolarHBondContact O-N 3.36Å; A361-W365 PolarHBondContact O-N 3Å
362	T	97.8	Very high	96.1	Very high	17 Å²	17	28.3 Å²	28.3	10%	0.104	14%	0.141	C	C	.	.	H	α-helix	trans	-64.9	-40.4	173.3	-54.1	0	0	0	0	111.8	E358 K359 Y364 W365 F366 A411 A412 Q414 Y416	E358-T362 PolarHBondContact O-N 3Å; E358-T362 PolarHBondContact O-OG1 3.26Å; K359-T362 WeakPolarHBondContact O-CB 3.44Å; K359-T362 PolarHBondContact O-N 2.91Å; T362-Y364 VanDerWaalsContact C-N 3.35Å; T362-W365 WeakPolarHBondContact O-CB 3.15Å; T362-W365 PolarHBondContact O-N 3.15Å; T362-F366 HydrophobicContact CG2-CD2 3.78Å; T362-F366 HydrophobicContact CG2-CE2 3.7Å; T362-F366 WeakPolarHBondContact O-CD2 3.4Å; T362-F366 PolarHBondContact O-N 3.27Å; T362-A411 WeakPolarHBondContact CG2-O 3.22Å; T362-A412 WeakPolarHBondContact CB-O 3.46Å; T362-Q414 WeakPolarHBondContact CG2-O 3.46Å; T362-Y416 HydrophobicContact CG2-CD1 4.03Å; T362-Y416 HydrophobicContact CG2-CE1 3.95Å
363	L	98.1	Very high	96.4	Very high	1 Å²	1	28.4 Å²	28.4	1%	0.005	14%	0.141	C	C	.	.	H	α-helix	trans	-62.2	-43.5	172.6	-75.1	174.3	0	0	0	111.9	K359 L360 W365 F366 T367 F406 P408 A411 A412 L438 Y441	K359-L363 WeakPolarHBondContact O-CG 3.29Å; K359-L363 PolarHBondContact O-N 3.46Å; L360-L363 HydrophobicContact CD2-CD1 4.35Å; L360-L363 PolarHBondContact O-N 3.18Å; L363-W365 VanDerWaalsContact C-N 3.3Å; L363-W365 PolarHBondContact O-N 3.44Å; L363-F366 PolarHBondContact O-N 3.46Å; L363-T367 WeakPolarHBondContact O-CB 3.47Å; L363-T367 WeakPolarHBondContact O-CG2 3.41Å; L363-T367 PolarHBondContact O-N 2.87Å; L363-T367 VanDerWaalsContact O-N 3.11Å; L363-T367 PolarHBondContact O-OG1 3.32Å; L363-F406 HydrophobicContact CD2-CE2 4.1Å; L363-F406 HydrophobicContact CD2-CZ 4.25Å; L363-P408 HydrophobicContact CD1-CB 4.46Å; L363-P408 HydrophobicContact CD2-CB 3.96Å; L363-P408 WeakPolarHBondContact CD2-O 3.44Å; L363-A411 HydrophobicContact CD2-CB 3.87Å; L363-A412 HydrophobicContact CD1-CB 4.23Å; L363-A412 HydrophobicContact CD2-CB 4.13Å; L363-A412 HydrophobicContact CG-CB 3.92Å; L363-L438 HydrophobicContact CD1-CD1 4.06Å; L363-Y441 HydrophobicContact CD1-CD1 3.63Å; L363-Y441 HydrophobicContact CD1-CE1 3.45Å; L363-Y441 VanDerWaalsContact CD1-CE1 3.45Å; L363-Y441 HydrophobicContact CD1-CG 4.26Å
364	Y	98.1	Very high	96.7	Very high	16 Å²	16	28 Å²	28	6%	0.063	13%	0.134	C	C	.	.	H	α-helix	trans	-59.8	-42.6	174.6	-178.3	-87	0	0	0	111	F293 L294 L297 H329 I345 L360 A361 T362 T367 V368 E369	F293-Y364 AromaticContact CE1-CE1 3.89Å; F293-Y364 HydrophobicContact CE1-CE1 3.89Å; F293-Y364 AromaticContact CE1-CE2 3.81Å; F293-Y364 HydrophobicContact CE1-CE2 3.81Å; F293-Y364 AromaticContact CE1-CZ 3.47Å; F293-Y364 VanDerWaalsContact CE1-CZ 3.47Å; F293-Y364 WeakPolarHBondContact CE1-OH 3.47Å; F293-Y364 HydrophobicContact CZ-CE1 4.48Å; F293-Y364 HydrophobicContact CZ-CE2 4.49Å; F293-Y364 AromaticContact CZ-CZ 3.91Å; F293-Y364 WeakPolarHBondContact CZ-OH 3.32Å; L294-Y364 HydrophobicContact CD2-CD2 4.01Å; L294-Y364 HydrophobicContact CD2-CG 4.19Å; L297-Y364 HydrophobicContact CD1-CD2 3.98Å; L297-Y364 HydrophobicContact CD1-CE2 3.66Å; H329-Y364 PolarHBondContact CE1-OH 3.44Å; I345-Y364 HydrophobicContact CD1-CD2 4.17Å; L360-Y364 WeakPolarHBondContact O-CB 3.43Å; L360-Y364 PolarHBondContact O-N 3.1Å; A361-Y364 WeakPolarHBondContact O-CB 3.03Å; A361-Y364 PolarHBondContact O-N 3.36Å; T362-Y364 VanDerWaalsContact C-N 3.35Å; Y364-T367 CarbonylContact O-C 3.57Å; Y364-T367 PolarHBondContact O-N 2.89Å; Y364-V368 HydrophobicContact CD1-CB 4.38Å; Y364-V368 HydrophobicContact CD2-CB 3.74Å; Y364-V368 HydrophobicContact CD2-CG1 4.23Å; Y364-V368 HydrophobicContact CD2-CG2 3.65Å; Y364-V368 HydrophobicContact CE1-CB 4.19Å; Y364-V368 HydrophobicContact CE1-CG1 4.23Å; Y364-V368 HydrophobicContact CE2-CB 3.49Å; Y364-V368 VanDerWaalsContact CE2-CB 3.49Å; Y364-V368 HydrophobicContact CE2-CG1 3.45Å; Y364-V368 VanDerWaalsContact CE2-CG1 3.45Å; Y364-V368 HydrophobicContact CE2-CG2 3.64Å; Y364-V368 HydrophobicContact CG-CB 4.16Å; Y364-V368 HydrophobicContact CG-CG2 4.38Å; Y364-V368 VanDerWaalsContact CZ-CG1 3.41Å; Y364-V368 PolarHBondContact O-N 2.93Å; Y364-V368 WeakPolarHBondContact OH-CG1 3.47Å; Y364-E369 HydrophobicContact CD1-CG 3.93Å; Y364-E369 HydrophobicContact CE1-CG 3.65Å; Y364-E369 WeakPolarHBondContact CE1-OE1 3.31Å; Y364-E369 PolarHBondContact O-N 2.91Å; Y364-E369 VanDerWaalsContact O-N 3.14Å; Y364-E369 PolarHBondContact OH-OE1 2.94Å
365	W	97.8	Very high	97.1	Very high	39 Å²	39	27.8 Å²	27.8	15%	0.148	13%	0.131	C	C	.	.	I	π-helix	trans	-57.6	-53.3	174.9	-175	-93.3	0	0	0	112.5	A361 T362 L363 T367 E369 F370 Y416 D418	A361-W365 PolarHBondContact O-N 3Å; T362-W365 WeakPolarHBondContact O-CB 3.15Å; T362-W365 PolarHBondContact O-N 3.15Å; L363-W365 VanDerWaalsContact C-N 3.3Å; L363-W365 PolarHBondContact O-N 3.44Å; W365-T367 PolarHBondContact O-N 3.44Å; W365-E369 HydrophobicContact CE3-CB 4.42Å; W365-E369 HydrophobicContact CE3-CG 4.3Å; W365-E369 WeakPolarHBondContact O-CB 3.17Å; W365-F370 AromaticContact CD2-CD2 3.76Å; W365-F370 HydrophobicContact CD2-CD2 3.76Å; W365-F370 AromaticContact CD2-CE2 3.8Å; W365-F370 HydrophobicContact CD2-CE2 3.8Å; W365-F370 AromaticContact CE2-CD2 3.44Å; W365-F370 VanDerWaalsContact CE2-CD2 3.44Å; W365-F370 AromaticContact CE2-CE2 3.38Å; W365-F370 HydrophobicContact CE3-CD2 4.3Å; W365-F370 AromaticContact CE3-CE2 3.96Å; W365-F370 HydrophobicContact CE3-CE2 3.96Å; W365-F370 HydrophobicContact CG-CD2 4.17Å; W365-F370 HydrophobicContact CH2-CD2 4.31Å; W365-F370 AromaticContact CH2-CE2 3.41Å; W365-F370 HydrophobicContact CH2-CE2 3.41Å; W365-F370 VanDerWaalsContact CH2-CE2 3.41Å; W365-F370 AromaticContact CH2-CZ 3.99Å; W365-F370 HydrophobicContact CH2-CZ 3.99Å; W365-F370 AromaticContact CZ2-CD2 3.76Å; W365-F370 HydrophobicContact CZ2-CD2 3.76Å; W365-F370 AromaticContact CZ2-CE2 3.2Å; W365-F370 HydrophobicContact CZ2-CE2 3.2Å; W365-F370 AromaticContact CZ2-CZ 3.82Å; W365-F370 HydrophobicContact CZ2-CZ 3.82Å; W365-F370 AromaticContact CZ3-CE2 3.77Å; W365-F370 HydrophobicContact CZ3-CE2 3.77Å; W365-F370 AromaticContact NE1-CD2 3.62Å; W365-F370 PolarHBondContact O-N 3.49Å; W365-Y416 HydrophobicContact CB-CE1 4.23Å; W365-Y416 AromaticContact CD1-CD1 3.93Å; W365-Y416 AromaticContact CD1-CD2 3.8Å; W365-Y416 AromaticContact CD1-CG 3.6Å; W365-Y416 AromaticContact CD2-CD2 3.56Å; W365-Y416 HydrophobicContact CD2-CD2 3.56Å; W365-Y416 AromaticContact CD2-CE2 3.51Å; W365-Y416 HydrophobicContact CD2-CE2 3.51Å; W365-Y416 HydrophobicContact CD2-CG 4.17Å; W365-Y416 AromaticContact CE2-CD2 3.28Å; W365-Y416 AromaticContact CE2-CE2 3.72Å; W365-Y416 AromaticContact CE2-CG 3.87Å; W365-Y416 HydrophobicContact CE3-CD2 4.17Å; W365-Y416 AromaticContact CE3-CE2 3.72Å; W365-Y416 HydrophobicContact CE3-CE2 3.72Å; W365-Y416 HydrophobicContact CG-CD1 4.15Å; W365-Y416 AromaticContact CG-CD2 3.88Å; W365-Y416 HydrophobicContact CG-CD2 3.88Å; W365-Y416 HydrophobicContact CG-CE1 4.18Å; W365-Y416 AromaticContact CG-CE2 3.9Å; W365-Y416 HydrophobicContact CG-CE2 3.9Å; W365-Y416 HydrophobicContact CG-CG 4Å; W365-Y416 HydrophobicContact CH2-CD2 4.24Å; W365-Y416 HydrophobicContact CH2-CE2 4.28Å; W365-Y416 AromaticContact CZ2-CD2 3.65Å; W365-Y416 HydrophobicContact CZ2-CD2 3.65Å; W365-Y416 HydrophobicContact CZ2-CE2 4.1Å; W365-Y416 HydrophobicContact CZ3-CD2 4.48Å; W365-Y416 HydrophobicContact CZ3-CE2 4.1Å; W365-Y416 AromaticContact NE1-CD2 3.45Å; W365-Y416 AromaticContact NE1-CG 3.52Å; W365-D418 HydrophobicContact CH2-CB 3.83Å
366	F	98.1	Very high	97.1	Very high	2 Å²	2	30.4 Å²	30.4	1%	0.009	15%	0.149	C	C	.	.	I	π-helix	trans	-78.1	1.7	-177.8	-72.8	-62.6	0	0	0	114.9	T362 L363 Q414 Y416 F426	T362-F366 HydrophobicContact CG2-CD2 3.78Å; T362-F366 HydrophobicContact CG2-CE2 3.7Å; T362-F366 WeakPolarHBondContact O-CD2 3.4Å; T362-F366 PolarHBondContact O-N 3.27Å; L363-F366 PolarHBondContact O-N 3.46Å; F366-Q414 HydrophobicContact CD2-CB 4.33Å; F366-Q414 HydrophobicContact CD2-CG 4.47Å; F366-Q414 HydrophobicContact CE1-CG 4.22Å; F366-Q414 HydrophobicContact CE2-CB 3.61Å; F366-Q414 HydrophobicContact CE2-CG 3.53Å; F366-Q414 WeakPolarHBondContact CE2-O 3.33Å; F366-Q414 HydrophobicContact CZ-CB 4.02Å; F366-Q414 HydrophobicContact CZ-CG 3.36Å; F366-Y416 HydrophobicContact CE2-CD1 4.08Å; F366-Y416 HydrophobicContact CZ-CD1 4.4Å; F366-Y416 HydrophobicContact CZ-CG 4.48Å; F366-F426 HydrophobicContact CB-CD2 3.66Å; F366-F426 HydrophobicContact CB-CE2 4.27Å; F366-F426 HydrophobicContact CB-CG 4.45Å; F366-F426 AromaticContact CD1-CD2 3.56Å; F366-F426 HydrophobicContact CD1-CD2 3.56Å; F366-F426 AromaticContact CD1-CE2 3.88Å; F366-F426 HydrophobicContact CD1-CE2 3.88Å; F366-F426 HydrophobicContact CD2-CD2 4.27Å; F366-F426 HydrophobicContact CD2-CE2 4.06Å; F366-F426 HydrophobicContact CE1-CD2 4.26Å; F366-F426 HydrophobicContact CE1-CE2 4.2Å; F366-F426 HydrophobicContact CE2-CE2 4.38Å; F366-F426 AromaticContact CG-CD2 3.56Å; F366-F426 HydrophobicContact CG-CD2 3.56Å; F366-F426 AromaticContact CG-CE2 3.8Å; F366-F426 HydrophobicContact CG-CE2 3.8Å; F366-F426 HydrophobicContact CZ-CE2 4.43Å
367	T	97.8	Very high	96.9	Very high	1 Å²	1	32.1 Å²	32.1	1%	0.006	18%	0.176	C	C	.	.	I	π-helix	trans	-123.5	-78.5	176.5	59	0	0	0	0	111.2	F341 L363 Y364 W365 E369 G371 Y382 F406	F341-T367 HydrophobicContact CZ-CG2 3.9Å; F341-T367 WeakPolarHBondContact CZ-OG1 3.17Å; L363-T367 WeakPolarHBondContact O-CB 3.47Å; L363-T367 WeakPolarHBondContact O-CG2 3.41Å; L363-T367 PolarHBondContact O-N 2.87Å; L363-T367 VanDerWaalsContact O-N 3.11Å; L363-T367 PolarHBondContact O-OG1 3.32Å; Y364-T367 CarbonylContact O-C 3.57Å; Y364-T367 PolarHBondContact O-N 2.89Å; W365-T367 PolarHBondContact O-N 3.44Å; T367-E369 VanDerWaalsContact C-N 3.29Å; T367-E369 PolarHBondContact O-N 3.39Å; T367-G371 WeakPolarHBondContact O-CA 3.35Å; T367-G371 PolarHBondContact O-N 3.43Å; T367-Y382 VanDerWaalsContact CA-OH 3.32Å; T367-Y382 WeakPolarHBondContact CA-OH 3.47Å; T367-Y382 WeakPolarHBondContact CB-OH 3.33Å; T367-Y382 WeakPolarHBondContact O-CE2 3.23Å; T367-F406 HydrophobicContact CG2-CD2 3.95Å; T367-F406 HydrophobicContact CG2-CE1 4.26Å; T367-F406 HydrophobicContact CG2-CE2 3.37Å; T367-F406 HydrophobicContact CG2-CZ 3.55Å
368	V	98.1	Very high	97	Very high	2 Å²	2	36.6 Å²	36.6	1%	0.012	20%	0.199	C	C	.	.	I	π-helix	trans	-62.1	-34.7	-175.3	-177.3	0	0	0	0	112.4	F338 F341 I345 Y364 G383 A384	F338-V368 HydrophobicContact CE1-CG1 4.4Å; F338-V368 HydrophobicContact CZ-CB 4.3Å; F338-V368 HydrophobicContact CZ-CG1 3.97Å; F338-V368 HydrophobicContact CZ-CG2 4.06Å; F341-V368 HydrophobicContact CD1-CG2 4.34Å; F341-V368 HydrophobicContact CE1-CG2 3.86Å; I345-V368 HydrophobicContact CD1-CG2 4.03Å; Y364-V368 HydrophobicContact CD1-CB 4.38Å; Y364-V368 HydrophobicContact CD2-CB 3.74Å; Y364-V368 HydrophobicContact CD2-CG1 4.23Å; Y364-V368 HydrophobicContact CD2-CG2 3.65Å; Y364-V368 HydrophobicContact CE1-CB 4.19Å; Y364-V368 HydrophobicContact CE1-CG1 4.23Å; Y364-V368 HydrophobicContact CE2-CB 3.49Å; Y364-V368 VanDerWaalsContact CE2-CB 3.49Å; Y364-V368 HydrophobicContact CE2-CG1 3.45Å; Y364-V368 VanDerWaalsContact CE2-CG1 3.45Å; Y364-V368 HydrophobicContact CE2-CG2 3.64Å; Y364-V368 HydrophobicContact CG-CB 4.16Å; Y364-V368 HydrophobicContact CG-CG2 4.38Å; Y364-V368 VanDerWaalsContact CZ-CG1 3.41Å; Y364-V368 PolarHBondContact O-N 2.93Å; Y364-V368 WeakPolarHBondContact OH-CG1 3.47Å; V368-G383 WeakPolarHBondContact O-CA 3.38Å; V368-A384 PolarHBondContact O-N 2.88Å
369	E	97.6	Very high	97	Very high	24 Å²	24	32.6 Å²	32.6	11%	0.112	18%	0.183	C	C	.	.	I	π-helix	trans	-88.8	-50.9	-180	-64.4	-62.7	157.8	0	0	113.8	H324 H329 Y364 W365 T367 G383 A384 G385	H324-E369 IonicContact CE1-OE2 3.05Å; H324-E369 PolarHBondContact CE1-OE2 3.3Å; H324-E369 VanDerWaalsContact CE1-OE2 3.29Å; H324-E369 IonicContact NE2-OE2 3.83Å; H324-E369 PolarHBondContact NE2-OE2 3.49Å; H329-E369 IonicContact CE1-OE1 2.69Å; H329-E369 PolarHBondContact CE1-OE1 3.24Å; H329-E369 IonicContact CE1-OE2 2.7Å; H329-E369 IonicContact NE2-OE1 3.66Å; H329-E369 PolarHBondContact NE2-OE1 3.29Å; H329-E369 VanDerWaalsContact NE2-OE1 3.11Å; H329-E369 IonicContact NE2-OE2 2.64Å; Y364-E369 HydrophobicContact CD1-CG 3.93Å; Y364-E369 HydrophobicContact CE1-CG 3.65Å; Y364-E369 WeakPolarHBondContact CE1-OE1 3.31Å; Y364-E369 PolarHBondContact O-N 2.91Å; Y364-E369 VanDerWaalsContact O-N 3.14Å; Y364-E369 PolarHBondContact OH-OE1 2.94Å; W365-E369 HydrophobicContact CE3-CB 4.42Å; W365-E369 HydrophobicContact CE3-CG 4.3Å; W365-E369 WeakPolarHBondContact O-CB 3.17Å; T367-E369 VanDerWaalsContact C-N 3.29Å; T367-E369 PolarHBondContact O-N 3.39Å; E369-G383 CarbonylContact O-C 3.53Å; E369-G383 WeakPolarHBondContact O-CA 3.37Å; E369-A384 PolarHBondContact O-N 3.2Å; E369-G385 WeakPolarHBondContact O-CA 3.32Å; E369-G385 PolarHBondContact O-N 3.06Å
370	F	97.9	Very high	97.1	Very high	20 Å²	20	32.2 Å²	32.2	9%	0.088	18%	0.181	C	C	.	.	T	Hydrogen-bonded Turn	trans	-126.3	26.4	-172.1	-64.1	-89.2	0	0	0	113	W365 L386 E392 Q422 Y425	W365-F370 AromaticContact CD2-CD2 3.76Å; W365-F370 HydrophobicContact CD2-CD2 3.76Å; W365-F370 AromaticContact CD2-CE2 3.8Å; W365-F370 HydrophobicContact CD2-CE2 3.8Å; W365-F370 AromaticContact CE2-CD2 3.44Å; W365-F370 VanDerWaalsContact CE2-CD2 3.44Å; W365-F370 AromaticContact CE2-CE2 3.38Å; W365-F370 HydrophobicContact CE3-CD2 4.3Å; W365-F370 AromaticContact CE3-CE2 3.96Å; W365-F370 HydrophobicContact CE3-CE2 3.96Å; W365-F370 HydrophobicContact CG-CD2 4.17Å; W365-F370 HydrophobicContact CH2-CD2 4.31Å; W365-F370 AromaticContact CH2-CE2 3.41Å; W365-F370 HydrophobicContact CH2-CE2 3.41Å; W365-F370 VanDerWaalsContact CH2-CE2 3.41Å; W365-F370 AromaticContact CH2-CZ 3.99Å; W365-F370 HydrophobicContact CH2-CZ 3.99Å; W365-F370 AromaticContact CZ2-CD2 3.76Å; W365-F370 HydrophobicContact CZ2-CD2 3.76Å; W365-F370 AromaticContact CZ2-CE2 3.2Å; W365-F370 HydrophobicContact CZ2-CE2 3.2Å; W365-F370 AromaticContact CZ2-CZ 3.82Å; W365-F370 HydrophobicContact CZ2-CZ 3.82Å; W365-F370 AromaticContact CZ3-CE2 3.77Å; W365-F370 HydrophobicContact CZ3-CE2 3.77Å; W365-F370 AromaticContact NE1-CD2 3.62Å; W365-F370 PolarHBondContact O-N 3.49Å; F370-L386 HydrophobicContact CD1-CD2 3.76Å; F370-L386 HydrophobicContact CD1-CG 4.39Å; F370-L386 HydrophobicContact CE1-CD2 4.5Å; F370-E392 HydrophobicContact CD1-CG 4.13Å; F370-E392 HydrophobicContact CE1-CG 3.85Å; F370-Q422 HydrophobicContact CB-CG 4.37Å; F370-Q422 HydrophobicContact CD1-CG 3.61Å; F370-Q422 HydrophobicContact CD2-CG 4.41Å; F370-Q422 HydrophobicContact CE1-CG 3.95Å; F370-Q422 HydrophobicContact CG-CG 3.88Å; F370-Y425 HydrophobicContact CB-CD1 4.24Å; F370-Y425 HydrophobicContact CB-CE1 4.2Å; F370-Y425 HydrophobicContact CD1-CE1 4.23Å; F370-Y425 WeakPolarHBondContact O-CD1 3.32Å
371	G	97.8	Very high	97.1	Very high	0 Å²	0	32.2 Å²	32.2	0%	0	18%	0.181	C	C	.	.			trans	-78	144.3	-178.9	0	0	0	0	0	114.5	T367 Y382 G383	T367-G371 WeakPolarHBondContact O-CA 3.35Å; T367-G371 PolarHBondContact O-N 3.43Å; G371-Y382 WeakPolarHBondContact O-CD1 3.46Å; G371-Y382 PolarHBondContact O-N 3.23Å; G371-Y382 VanDerWaalsContact O-N 3.15Å; G371-G383 PolarHBondContact O-N 3.1Å
372	L	98.6	Very high	97.2	Very high	0 Å²	0	31.3 Å²	31.3	0%	0	17%	0.174	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-116.3	152.6	173.2	-63.4	178.1	0	0	0	110.4	V379 K380 A381 Y382 L386 L397 V403 Y425 F426 V427 S428	L372-V379 HydrophobicContact CB-CG1 3.87Å; L372-V379 HydrophobicContact CD1-CG1 3.9Å; L372-V379 HydrophobicContact CD2-CG1 4.42Å; L372-V379 HydrophobicContact CG-CG1 4.29Å; L372-K380 CarbonylContact C-O 3.52Å; L372-K380 WeakPolarHBondContact CA-O 3.33Å; L372-A381 HydrophobicContact CD2-CB 4.12Å; L372-Y382 VanDerWaalsContact C-CE1 3.43Å; L372-Y382 VanDerWaalsContact O-CE1 3.24Å; L372-Y382 WeakPolarHBondContact O-CE1 3.32Å; L372-L386 HydrophobicContact CD2-CD1 3.47Å; L372-L386 VanDerWaalsContact CD2-CD1 3.47Å; L372-L386 HydrophobicContact CG-CD1 4.29Å; L372-L397 HydrophobicContact CD2-CD2 4Å; L372-V403 HydrophobicContact CD1-CG1 4.49Å; L372-Y425 HydrophobicContact CD1-CG 4.03Å; L372-F426 PolarHBondContact N-O 3.41Å; L372-F426 VanDerWaalsContact N-O 3.11Å; L372-V427 HydrophobicContact CB-CB 4.39Å; L372-V427 HydrophobicContact CB-CG2 3.75Å; L372-V427 HydrophobicContact CD1-CG2 4.08Å; L372-V427 CarbonylContact O-C 3.59Å; L372-V427 VanDerWaalsContact O-CA 3.28Å; L372-V427 WeakPolarHBondContact O-CA 3.38Å; L372-S428 PolarHBondContact O-N 3.09Å
373	C	97.9	Very high	97.2	Very high	3 Å²	3	30.5 Å²	30.5	2%	0.02	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	153.3	175.5	65.8	0	0	0	0	112.4	C242 V379 K380 Y382 S428	C242-C373 VanDerWaalsContact CB-SG 3.56Å; C373-V379 CarbonylContact O-C 3.44Å; C373-V379 WeakPolarHBondContact O-CA 3.44Å; C373-K380 PolarHBondContact N-O 3.22Å; C373-K380 PolarHBondContact O-N 3.17Å; C373-Y382 HydrophobicContact CB-CD1 3.83Å; C373-Y382 HydrophobicContact CB-CE1 4.18Å; C373-S428 CarbonylContact C-O 3.6Å; C373-S428 VanDerWaalsContact CA-O 3.25Å; C373-S428 WeakPolarHBondContact CA-O 3.38Å
374	K	97.2	Very high	97.2	Very high	60 Å²	60	30.5 Å²	30.5	26%	0.261	17%	0.169	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-88.9	132.8	170.6	-72.2	171.2	-165.8	164	0	110.6	I378 V379 D405 V427 S428 E429	K374-I378 CarbonylContact C-O 3.58Å; K374-I378 WeakPolarHBondContact CA-O 3.38Å; K374-V379 HydrophobicContact CG-CG2 4.46Å; K374-D405 IonicContact NZ-OD1 2.9Å; K374-D405 PolarHBondContact NZ-OD1 3.17Å; K374-V427 HydrophobicContact CD-CG1 4.17Å; K374-V427 HydrophobicContact CG-CG1 3.63Å; K374-S428 PolarHBondContact N-O 2.97Å; K374-E429 WeakPolarHBondContact CD-OE1 3.36Å; K374-E429 WeakPolarHBondContact CE-OE1 3.4Å; K374-E429 IonicContact NZ-OE1 2.68Å; K374-E429 PolarHBondContact NZ-OE1 3.49Å
375	Q	94.8	Very high	97.1	Very high	41 Å²	41	30 Å²	30	19%	0.192	17%	0.169	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	111.6	170.8	-65.3	-168.5	-44.3	0	0	108.7	E244 G377 I378 K380	E244-Q375 PolarHBondContact OE2-NE2 2.84Å; Q375-G377 PolarHBondContact O-N 3.03Å; Q375-I378 PolarHBondContact N-O 3.02Å; Q375-I378 PolarHBondContact O-N 3.42Å; Q375-K380 HydrophobicContact CB-CG 4.45Å
376	N	92.5	Very high	97	Very high	173 Å²	173	28.2 Å²	28.2	93%	0.925	16%	0.162	S	C	*	.	T	Hydrogen-bonded Turn	trans	53	39	-175.6	-53.2	-44.2	0	0	0	113	I378	N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.56Å
377	G	92.1	Very high	97	Very high	69 Å²	69	28.1 Å²	28.1	71%	0.711	16%	0.161	S	C	*	.	T	Hydrogen-bonded Turn	trans	79.3	-1.6	-178	0	0	0	0	0	115.4	Q375	Q375-G377 PolarHBondContact O-N 3.03Å
378	I	95.9	Very high	96.9	Very high	104 Å²	104	28.3 Å²	28.3	53%	0.533	16%	0.163	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.3	132.6	176.8	-56.5	175.6	0	0	0	109.2	K374 Q375 N376	K374-I378 CarbonylContact C-O 3.58Å; K374-I378 WeakPolarHBondContact CA-O 3.38Å; Q375-I378 PolarHBondContact N-O 3.02Å; Q375-I378 PolarHBondContact O-N 3.42Å; N376-I378 VanDerWaalsContact C-N 3.26Å; N376-I378 PolarHBondContact O-N 2.56Å
379	V	97.8	Very high	96.7	Very high	49 Å²	49	29.7 Å²	29.7	30%	0.297	17%	0.172	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	135.3	176	-175	0	0	0	0	110.1	L372 C373 K374 L397 V427	L372-V379 HydrophobicContact CB-CG1 3.87Å; L372-V379 HydrophobicContact CD1-CG1 3.9Å; L372-V379 HydrophobicContact CD2-CG1 4.42Å; L372-V379 HydrophobicContact CG-CG1 4.29Å; C373-V379 CarbonylContact O-C 3.44Å; C373-V379 WeakPolarHBondContact O-CA 3.44Å; K374-V379 HydrophobicContact CG-CG2 4.46Å; V379-L397 HydrophobicContact CB-CD2 4.17Å; V379-L397 HydrophobicContact CG1-CD2 3.72Å; V379-V427 HydrophobicContact CG1-CG1 4.49Å; V379-V427 HydrophobicContact CG1-CG2 4.13Å
380	K	98.3	Very high	96.4	Very high	34 Å²	34	33.4 Å²	33.4	15%	0.148	19%	0.186	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.6	150.3	-179	-64.7	-65.5	-172.4	159.6	0	110.5	T239 H240 C242 L372 C373 Q375	T239-K380 PolarHBondContact O-NZ 3.33Å; H240-K380 WeakPolarHBondContact O-CA 3.34Å; C242-K380 HydrophobicContact CB-CB 4.12Å; L372-K380 CarbonylContact C-O 3.52Å; L372-K380 WeakPolarHBondContact CA-O 3.33Å; C373-K380 PolarHBondContact N-O 3.22Å; C373-K380 PolarHBondContact O-N 3.17Å; Q375-K380 HydrophobicContact CB-CG 4.45Å
381	A	98.4	Very high	96.1	Very high	0 Å²	0	33.1 Å²	33.1	0%	0	19%	0.189	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-83.4	138.1	176.3	0	0	0	0	0	111.8	H240 C242 L372 L386 L387 L393	H240-A381 PolarHBondContact O-N 3.19Å; C242-A381 PolarHBondContact N-O 3.11Å; L372-A381 HydrophobicContact CD2-CB 4.12Å; A381-L386 HydrophobicContact CB-CB 4Å; A381-L386 HydrophobicContact CB-CD1 3.75Å; A381-L387 HydrophobicContact CB-CD2 4.31Å; A381-L393 HydrophobicContact CB-CD1 3.5Å; A381-L393 VanDerWaalsContact CB-CD1 3.5Å
382	Y	98.3	Very high	95.9	Very high	3 Å²	3	33.6 Å²	33.6	1%	0.012	19%	0.191	C	C	.	.			trans	-130.6	-14.2	165.9	75.9	-99	0	0	0	112.9	F338 T367 G371 L372 C373 L387 F431	F338-Y382 HydrophobicContact CD2-CD2 4.3Å; F338-Y382 HydrophobicContact CD2-CE2 4.48Å; F338-Y382 AromaticContact CE2-CD2 3.55Å; F338-Y382 HydrophobicContact CE2-CD2 3.55Å; F338-Y382 AromaticContact CE2-CE2 3.62Å; F338-Y382 HydrophobicContact CE2-CE2 3.62Å; F338-Y382 HydrophobicContact CZ-CD2 4.33Å; F338-Y382 HydrophobicContact CZ-CE2 4.47Å; T367-Y382 VanDerWaalsContact CA-OH 3.32Å; T367-Y382 WeakPolarHBondContact CA-OH 3.47Å; T367-Y382 WeakPolarHBondContact CB-OH 3.33Å; T367-Y382 WeakPolarHBondContact O-CE2 3.23Å; G371-Y382 WeakPolarHBondContact O-CD1 3.46Å; G371-Y382 PolarHBondContact O-N 3.23Å; G371-Y382 VanDerWaalsContact O-N 3.15Å; L372-Y382 VanDerWaalsContact C-CE1 3.43Å; L372-Y382 VanDerWaalsContact O-CE1 3.24Å; L372-Y382 WeakPolarHBondContact O-CE1 3.32Å; C373-Y382 HydrophobicContact CB-CD1 3.83Å; C373-Y382 HydrophobicContact CB-CE1 4.18Å; Y382-L387 WeakPolarHBondContact O-CD1 3.3Å; Y382-F431 AromaticContact CD1-CE1 3.64Å; Y382-F431 HydrophobicContact CD1-CE1 3.64Å; Y382-F431 HydrophobicContact CD1-CZ 4.14Å; Y382-F431 AromaticContact CD2-CE1 3.86Å; Y382-F431 HydrophobicContact CD2-CE1 3.86Å; Y382-F431 HydrophobicContact CD2-CZ 4.47Å; Y382-F431 AromaticContact CE1-CE1 3.95Å; Y382-F431 HydrophobicContact CE1-CE1 3.95Å; Y382-F431 HydrophobicContact CE2-CE1 4.19Å; Y382-F431 AromaticContact CG-CE1 3.58Å; Y382-F431 HydrophobicContact CG-CE1 3.58Å; Y382-F431 AromaticContact CG-CZ 3.92Å; Y382-F431 HydrophobicContact CG-CZ 3.92Å
383	G	98.2	Very high	95.8	Very high	0 Å²	0	33.6 Å²	33.6	0%	0	19%	0.191	C	C	.	.			trans	-63.1	136.1	176.9	0	0	0	0	0	112.5	V368 E369 G371 G385 L386 L387	V368-G383 WeakPolarHBondContact O-CA 3.38Å; E369-G383 CarbonylContact O-C 3.53Å; E369-G383 WeakPolarHBondContact O-CA 3.37Å; G371-G383 PolarHBondContact O-N 3.1Å; G383-G385 PolarHBondContact O-N 3.35Å; G383-L386 WeakPolarHBondContact O-CB 3.39Å; G383-L386 PolarHBondContact O-N 3.1Å; G383-L386 VanDerWaalsContact O-N 3.15Å; G383-L387 WeakPolarHBondContact O-CG 3.12Å; G383-L387 PolarHBondContact O-N 3.31Å
384	A	97.8	Very high	95.7	Very high	1 Å²	1	36.6 Å²	36.6	1%	0.008	21%	0.206	C	C	.	.	H	α-helix	trans	-63.3	-40.1	-177.6	0	0	0	0	0	113.3	H329 V368 E369 L386 L387 S388	H329-A384 HydrophobicContact CB-CB 4.38Å; H329-A384 WeakPolarHBondContact CE1-CB 2.98Å; H329-A384 WeakPolarHBondContact ND1-CB 3.36Å; H329-A384 WeakPolarHBondContact NE2-CB 3.12Å; V368-A384 PolarHBondContact O-N 2.88Å; E369-A384 PolarHBondContact O-N 3.2Å; A384-L386 PolarHBondContact O-N 2.85Å; A384-L387 PolarHBondContact O-N 2.83Å; A384-S388 WeakPolarHBondContact O-CB 3.39Å; A384-S388 PolarHBondContact O-N 3.36Å; A384-S388 PolarHBondContact O-OG 2.71Å
385	G	95.8	Very high	95.7	Very high	6 Å²	6	35.7 Å²	35.7	6%	0.062	20%	0.202	C	C	.	.	H	α-helix	trans	-58.6	-35.6	173.3	0	0	0	0	0	112.6	E369 G383 S389	E369-G385 WeakPolarHBondContact O-CA 3.32Å; E369-G385 PolarHBondContact O-N 3.06Å; G383-G385 PolarHBondContact O-N 3.35Å; G385-S389 WeakPolarHBondContact O-CB 3.39Å; G385-S389 PolarHBondContact O-N 2.99Å
386	L	96.7	Very high	95.8	Very high	0 Å²	0	33.8 Å²	33.8	0%	0	19%	0.194	C	C	.	.	H	α-helix	trans	-70.7	-50.6	173.7	-52.3	-178	0	0	0	111.1	F370 L372 A381 G383 A384 S388 S389 E392 L393 Y425	F370-L386 HydrophobicContact CD1-CD2 3.76Å; F370-L386 HydrophobicContact CD1-CG 4.39Å; F370-L386 HydrophobicContact CE1-CD2 4.5Å; L372-L386 HydrophobicContact CD2-CD1 3.47Å; L372-L386 VanDerWaalsContact CD2-CD1 3.47Å; L372-L386 HydrophobicContact CG-CD1 4.29Å; A381-L386 HydrophobicContact CB-CB 4Å; A381-L386 HydrophobicContact CB-CD1 3.75Å; G383-L386 WeakPolarHBondContact O-CB 3.39Å; G383-L386 PolarHBondContact O-N 3.1Å; G383-L386 VanDerWaalsContact O-N 3.15Å; A384-L386 PolarHBondContact O-N 2.85Å; L386-S388 PolarHBondContact O-N 3.14Å; L386-S388 VanDerWaalsContact O-N 3.17Å; L386-S389 PolarHBondContact O-N 2.74Å; L386-S389 VanDerWaalsContact O-O 3.09Å; L386-E392 HydrophobicContact CD2-CB 4.26Å; L386-E392 HydrophobicContact CD2-CG 3.47Å; L386-E392 VanDerWaalsContact CD2-CG 3.47Å; L386-L393 HydrophobicContact CB-CD1 4.15Å; L386-L393 WeakPolarHBondContact O-CB 3.48Å; L386-Y425 HydrophobicContact CD2-CE1 3.75Å
387	L	97.7	Very high	95.9	Very high	0 Å²	0	28 Å²	28	0%	0	16%	0.163	C	C	.	.	H	α-helix	trans	-74.5	-7	-171.8	-66.7	163.2	0	0	0	114.1	Y237 A241 Y245 A381 Y382 G383 A384	Y237-L387 HydrophobicContact CD1-CD2 4.18Å; Y237-L387 HydrophobicContact CE1-CB 4.45Å; Y237-L387 HydrophobicContact CE1-CD2 4.16Å; Y237-L387 WeakPolarHBondContact CE1-O 3.42Å; Y237-L387 PolarHBondContact OH-O 2.92Å; A241-L387 HydrophobicContact CB-CD2 3.58Å; Y245-L387 HydrophobicContact CD1-CD2 4.47Å; Y245-L387 HydrophobicContact CD2-CD1 3.38Å; Y245-L387 HydrophobicContact CD2-CD2 4.29Å; Y245-L387 HydrophobicContact CD2-CG 4.32Å; Y245-L387 HydrophobicContact CE1-CD2 4.47Å; Y245-L387 HydrophobicContact CE2-CB 4.07Å; Y245-L387 HydrophobicContact CE2-CD1 3.58Å; Y245-L387 HydrophobicContact CE2-CD2 4.26Å; Y245-L387 HydrophobicContact CE2-CG 4.19Å; Y245-L387 HydrophobicContact CG-CD1 4.1Å; Y245-L387 HydrophobicContact CG-CD2 4.39Å; A381-L387 HydrophobicContact CB-CD2 4.31Å; Y382-L387 WeakPolarHBondContact O-CD1 3.3Å; G383-L387 WeakPolarHBondContact O-CG 3.12Å; G383-L387 PolarHBondContact O-N 3.31Å; A384-L387 PolarHBondContact O-N 2.83Å
388	S	96.1	Very high	96.1	Very high	6 Å²	6	26.8 Å²	26.8	4%	0.042	14%	0.143	C	C	.	.	T	Hydrogen-bonded Turn	trans	-114.5	-0.9	176.6	62.1	0	0	0	0	114.3	H324 A384 L386	H324-S388 PolarHBondContact ND1-OG 2.94Å; A384-S388 WeakPolarHBondContact O-CB 3.39Å; A384-S388 PolarHBondContact O-N 3.36Å; A384-S388 PolarHBondContact O-OG 2.71Å; L386-S388 PolarHBondContact O-N 3.14Å; L386-S388 VanDerWaalsContact O-N 3.17Å
389	S	92.9	Very high	96.1	Very high	30 Å²	30	30.1 Å²	30.1	21%	0.21	16%	0.162	C	C	.	.			trans	-127	112.2	179.2	178.8	0	0	0	0	110.6	G385 L386 G391 E392 L393	G385-S389 WeakPolarHBondContact O-CB 3.39Å; G385-S389 PolarHBondContact O-N 2.99Å; L386-S389 PolarHBondContact O-N 2.74Å; L386-S389 VanDerWaalsContact O-O 3.09Å; S389-G391 VanDerWaalsContact C-N 3.31Å; S389-G391 PolarHBondContact O-N 3.2Å; S389-E392 PolarHBondContact O-N 2.85Å; S389-E392 WeakPolarHBondContact OG-CB 3.43Å; S389-E392 PolarHBondContact OG-N 3.14Å; S389-L393 VanDerWaalsContact O-CB 3.31Å; S389-L393 WeakPolarHBondContact O-CB 3.32Å; S389-L393 PolarHBondContact O-N 2.61Å
390	Y	91.4	Very high	96	Very high	103 Å²	103	35.5 Å²	35.5	40%	0.404	18%	0.184	S	C	.	.	H	α-helix	trans	-55.8	-47.3	179.1	166.1	-93	0	0	0	111.9	T232 L236 M315 L393 I394	T232-Y390 HydrophobicContact CG2-CD2 3.43Å; T232-Y390 VanDerWaalsContact CG2-CD2 3.43Å; T232-Y390 HydrophobicContact CG2-CE2 4.06Å; T232-Y390 HydrophobicContact CG2-CG 3.95Å; L236-Y390 HydrophobicContact CD1-CD2 3.37Å; L236-Y390 HydrophobicContact CD1-CE2 3.65Å; L236-Y390 HydrophobicContact CD1-CG 4.4Å; L236-Y390 HydrophobicContact CD2-CE2 4.43Å; L236-Y390 HydrophobicContact CG-CD2 4.29Å; L236-Y390 HydrophobicContact CG-CE2 4.34Å; M315-Y390 HydrophobicContact CE-CD1 4.06Å; M315-Y390 HydrophobicContact CE-CD2 4.45Å; M315-Y390 HydrophobicContact CE-CG 3.76Å; Y390-L393 PolarHBondContact O-N 3.46Å; Y390-I394 HydrophobicContact CE2-CG1 4.32Å; Y390-I394 WeakPolarHBondContact O-CG1 3.46Å; Y390-I394 PolarHBondContact O-N 2.92Å
391	G	92.1	Very high	96	Very high	13 Å²	13	34.5 Å²	34.5	13%	0.134	18%	0.181	C	C	.	.	H	α-helix	trans	-66.4	-45.1	-176.6	0	0	0	0	0	112.6	S389 L393 I394 H395 Y421	S389-G391 VanDerWaalsContact C-N 3.31Å; S389-G391 PolarHBondContact O-N 3.2Å; G391-L393 PolarHBondContact O-N 3Å; G391-I394 PolarHBondContact O-N 3.41Å; G391-H395 VanDerWaalsContact O-CB 3.32Å; G391-H395 WeakPolarHBondContact O-CB 3.17Å; G391-H395 PolarHBondContact O-N 3.12Å; G391-Y421 WeakPolarHBondContact CA-OH 3.31Å
392	E	94.6	Very high	95.9	Very high	11 Å²	11	39.1 Å²	39.1	5%	0.051	20%	0.203	C	C	.	.	H	α-helix	trans	-65.2	-39.4	178.8	-156.5	80.5	-167.2	0	0	111.7	F370 L386 S389 I394 H395 S396 Y421 Q422 Y425	F370-E392 HydrophobicContact CD1-CG 4.13Å; F370-E392 HydrophobicContact CE1-CG 3.85Å; L386-E392 HydrophobicContact CD2-CB 4.26Å; L386-E392 HydrophobicContact CD2-CG 3.47Å; L386-E392 VanDerWaalsContact CD2-CG 3.47Å; S389-E392 PolarHBondContact O-N 2.85Å; S389-E392 WeakPolarHBondContact OG-CB 3.43Å; S389-E392 PolarHBondContact OG-N 3.14Å; E392-I394 VanDerWaalsContact C-N 3.35Å; E392-I394 PolarHBondContact O-N 3.41Å; E392-H395 PolarHBondContact O-N 3.41Å; E392-S396 VanDerWaalsContact O-CB 3.28Å; E392-S396 WeakPolarHBondContact O-CB 3.4Å; E392-S396 PolarHBondContact O-N 2.85Å; E392-S396 PolarHBondContact O-OG 2.91Å; E392-S396 VanDerWaalsContact O-OG 3.1Å; E392-Y421 VanDerWaalsContact OE1-CA 3.28Å; E392-Y421 WeakPolarHBondContact OE1-CA 3.42Å; E392-Y421 WeakPolarHBondContact OE2-CA 3.29Å; E392-Y421 WeakPolarHBondContact OE2-CD1 3.43Å; E392-Q422 PolarHBondContact OE1-N 3.49Å; E392-Y425 PolarHBondContact OE1-OH 3.22Å
393	L	96.1	Very high	95.9	Very high	0 Å²	0	42.3 Å²	42.3	0%	0	22%	0.222	C	C	.	.	H	α-helix	trans	-61.3	-43.8	-179.9	-171.1	54.9	0	0	0	111.9	L236 H240 A381 L386 S389 Y390 G391 S396	L236-L393 HydrophobicContact CB-CD2 3.91Å; L236-L393 HydrophobicContact CD1-CD2 3.99Å; H240-L393 HydrophobicContact CB-CD1 3.74Å; H240-L393 HydrophobicContact CB-CD2 3.9Å; H240-L393 HydrophobicContact CB-CG 3.76Å; A381-L393 HydrophobicContact CB-CD1 3.5Å; A381-L393 VanDerWaalsContact CB-CD1 3.5Å; L386-L393 HydrophobicContact CB-CD1 4.15Å; L386-L393 WeakPolarHBondContact O-CB 3.48Å; S389-L393 VanDerWaalsContact O-CB 3.31Å; S389-L393 WeakPolarHBondContact O-CB 3.32Å; S389-L393 PolarHBondContact O-N 2.61Å; Y390-L393 PolarHBondContact O-N 3.46Å; G391-L393 PolarHBondContact O-N 3Å; L393-S396 PolarHBondContact O-OG 3.42Å; L393-S396 VanDerWaalsContact O-OG 3.09Å
394	I	95.9	Very high	95.9	Very high	65 Å²	65	46.2 Å²	46.2	33%	0.333	24%	0.237	S	C	.	.	H	α-helix	trans	-68.7	-45.3	176.1	-61.8	-57.7	0	0	0	110.6	L236 H240 Y390 G391 E392 L397 S398	L236-I394 HydrophobicContact CD1-CD1 3.77Å; L236-I394 HydrophobicContact CD1-CG1 4.12Å; L236-I394 HydrophobicContact CD2-CD1 3.97Å; H240-I394 WeakPolarHBondContact NE2-CD1 3.48Å; Y390-I394 HydrophobicContact CE2-CG1 4.32Å; Y390-I394 WeakPolarHBondContact O-CG1 3.46Å; Y390-I394 PolarHBondContact O-N 2.92Å; G391-I394 PolarHBondContact O-N 3.41Å; E392-I394 VanDerWaalsContact C-N 3.35Å; E392-I394 PolarHBondContact O-N 3.41Å; I394-L397 PolarHBondContact O-N 3.5Å; I394-S398 PolarHBondContact O-N 3.47Å
395	H	96.2	Very high	95.9	Very high	41 Å²	41	50.9 Å²	50.9	19%	0.19	26%	0.262	C	S	.	.	H	α-helix	trans	-61.2	-47.7	-178.7	176.8	78.6	0	0	0	112.2	G391 E392 L397 S398 P401 Y421 Q422 Y425	G391-H395 VanDerWaalsContact O-CB 3.32Å; G391-H395 WeakPolarHBondContact O-CB 3.17Å; G391-H395 PolarHBondContact O-N 3.12Å; E392-H395 PolarHBondContact O-N 3.41Å; H395-L397 PolarHBondContact O-N 2.87Å; H395-L397 VanDerWaalsContact O-N 3.12Å; H395-S398 WeakPolarHBondContact O-CB 3.28Å; H395-S398 PolarHBondContact O-N 3.45Å; H395-S398 PolarHBondContact O-OG 3.24Å; H395-P401 VanDerWaalsContact O-CD 3.32Å; H395-P401 WeakPolarHBondContact O-CD 3.33Å; H395-P401 WeakPolarHBondContact O-CG 2.82Å; H395-Y421 HydrophobicContact CB-CD2 3.7Å; H395-Y421 HydrophobicContact CB-CE2 4.17Å; H395-Y421 HydrophobicContact CB-CG 4.35Å; H395-Y421 AromaticContact CG-CD2 3.6Å; H395-Y421 AromaticContact ND1-CD2 3.87Å; H395-Q422 PolarHBondContact NE2-O 2.94Å; H395-Q422 VanDerWaalsContact NE2-O 3.12Å; H395-Y425 PolarHBondContact CD2-OH 2.83Å
396	S	96.3	Very high	96	Very high	1 Å²	1	50.7 Å²	50.7	1%	0.007	26%	0.259	C	S	.	.	H	α-helix	trans	-61.3	-21.1	-177.1	66.6	0	0	0	0	115.2	E392 L393 Y425	E392-S396 VanDerWaalsContact O-CB 3.28Å; E392-S396 WeakPolarHBondContact O-CB 3.4Å; E392-S396 PolarHBondContact O-N 2.85Å; E392-S396 PolarHBondContact O-OG 2.91Å; E392-S396 VanDerWaalsContact O-OG 3.1Å; L393-S396 PolarHBondContact O-OG 3.42Å; L393-S396 VanDerWaalsContact O-OG 3.09Å; S396-Y425 VanDerWaalsContact CB-CZ 3.48Å
397	L	96.4	Very high	96	Very high	53 Å²	53	54.3 Å²	54.3	28%	0.277	28%	0.278	S	S	.	.	T	Hydrogen-bonded Turn	trans	-112.5	11.3	179.9	-64	177.7	0	0	0	112.7	H240 L372 V379 I394 H395	H240-L397 HydrophobicContact CB-CD1 3.8Å; L372-L397 HydrophobicContact CD2-CD2 4Å; V379-L397 HydrophobicContact CB-CD2 4.17Å; V379-L397 HydrophobicContact CG1-CD2 3.72Å; I394-L397 PolarHBondContact O-N 3.5Å; H395-L397 PolarHBondContact O-N 2.87Å; H395-L397 VanDerWaalsContact O-N 3.12Å
398	S	96.2	Very high	96	Very high	42 Å²	42	54.5 Å²	54.5	29%	0.294	28%	0.28	S	S	.	.	S	Bend	trans	-87.8	-179.7	171.1	75.8	0	0	0	0	111.7	I394 H395 E400 P401	I394-S398 PolarHBondContact O-N 3.47Å; H395-S398 WeakPolarHBondContact O-CB 3.28Å; H395-S398 PolarHBondContact O-N 3.45Å; H395-S398 PolarHBondContact O-OG 3.24Å; S398-E400 VanDerWaalsContact C-N 3.3Å; S398-E400 PolarHBondContact OG-N 3Å; S398-P401 WeakPolarHBondContact OG-CD 3.48Å
399	D	94.8	Very high	96	Very high	174 Å²	174	59 Å²	59	93%	0.93	30%	0.303	S	S	*	.	S	Bend	trans	-86	0.5	175	-61.1	-39.4	0	0	0	113.2
400	E	96	Very high	96.3	Very high	163 Å²	163	59.8 Å²	59.8	76%	0.762	31%	0.311	S	S	*	.	S	Bend	trans	-77.1	-48.2	-176.7	-65.2	-71.9	151.4	0	0	114.3	S398	S398-E400 VanDerWaalsContact C-N 3.3Å; S398-E400 PolarHBondContact OG-N 3Å
401	P	97.3	Very high	96.6	Very high	13 Å²	13	54.9 Å²	54.9	8%	0.084	29%	0.292	C	S	.	.	S	Bend	trans	-80.7	156.5	-177.6	33.9	-36.8	0	0	0	112.8	H395 S398 Y425	H395-P401 VanDerWaalsContact O-CD 3.32Å; H395-P401 WeakPolarHBondContact O-CD 3.33Å; H395-P401 WeakPolarHBondContact O-CG 2.82Å; S398-P401 WeakPolarHBondContact OG-CD 3.48Å; P401-Y425 HydrophobicContact CB-CD2 3.61Å; P401-Y425 HydrophobicContact CB-CE2 3.46Å; P401-Y425 VanDerWaalsContact CB-CE2 3.46Å; P401-Y425 HydrophobicContact CG-CD2 3.87Å; P401-Y425 HydrophobicContact CG-CE2 3.73Å
402	E	97.8	Very high	96.8	Very high	97 Å²	97	54.4 Å²	54.4	45%	0.453	29%	0.287	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.5	131	169.5	-168.5	-176.4	165.7	0	0	110.3	R404 P423 V424 Y425	E402-R404 VanDerWaalsContact CD-NE 3.27Å; E402-R404 HydrophobicContact CG-CG 4.32Å; E402-R404 IonicContact OE1-CZ 3.82Å; E402-R404 VanDerWaalsContact OE1-CZ 3.29Å; E402-R404 IonicContact OE1-NE 3.59Å; E402-R404 PolarHBondContact OE1-NE 3.47Å; E402-R404 IonicContact OE1-NH2 3.58Å; E402-R404 PolarHBondContact OE1-NH2 2.78Å; E402-R404 IonicContact OE2-CZ 2.84Å; E402-R404 IonicContact OE2-NE 2.81Å; E402-R404 IonicContact OE2-NH2 3.59Å; E402-R404 PolarHBondContact OE2-NH2 3.02Å; E402-P423 PolarHBondContact N-O 3.27Å; E402-V424 HydrophobicContact CB-CG2 4.27Å; E402-V424 CarbonylContact O-C 3.51Å; E402-V424 VanDerWaalsContact O-CA 3.29Å; E402-V424 WeakPolarHBondContact O-CA 3.43Å; E402-Y425 PolarHBondContact O-N 3.39Å
403	V	97.6	Very high	96.9	Very high	70 Å²	70	58.7 Å²	58.7	42%	0.424	31%	0.314	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	119	-179	-176.9	0	0	0	0	109.1	L372 V427	L372-V403 HydrophobicContact CD1-CG1 4.49Å; V403-V427 HydrophobicContact CG1-CB 4.39Å; V403-V427 HydrophobicContact CG1-CG2 3.1Å
404	R	97.9	Very high	97	Very high	82 Å²	82	60.6 Å²	60.6	31%	0.309	32%	0.323	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	153.3	-177.5	-60.1	-178.6	-173.6	154	9	111.1	E402 V424 Y425 F426 V427	E402-R404 VanDerWaalsContact CD-NE 3.27Å; E402-R404 HydrophobicContact CG-CG 4.32Å; E402-R404 IonicContact OE1-CZ 3.82Å; E402-R404 VanDerWaalsContact OE1-CZ 3.29Å; E402-R404 IonicContact OE1-NE 3.59Å; E402-R404 PolarHBondContact OE1-NE 3.47Å; E402-R404 IonicContact OE1-NH2 3.58Å; E402-R404 PolarHBondContact OE1-NH2 2.78Å; E402-R404 IonicContact OE2-CZ 2.84Å; E402-R404 IonicContact OE2-NE 2.81Å; E402-R404 IonicContact OE2-NH2 3.59Å; E402-R404 PolarHBondContact OE2-NH2 3.02Å; R404-V424 HydrophobicContact CG-CG1 4.36Å; R404-Y425 PolarHBondContact N-O 2.81Å; R404-F426 HydrophobicContact CB-CD1 4.05Å; R404-F426 HydrophobicContact CB-CE1 4.09Å; R404-F426 CarbonylContact O-C 3.55Å; R404-F426 VanDerWaalsContact O-CA 3.32Å; R404-F426 WeakPolarHBondContact O-CA 3.44Å; R404-V427 PolarHBondContact O-N 2.89Å
405	D	97.8	Very high	96.9	Very high	98 Å²	98	62.4 Å²	62.4	52%	0.524	34%	0.339	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-69.4	141.2	170.9	-67.6	-32.9	0	0	0	110.3	K374 D407 F426	K374-D405 IonicContact NZ-OD1 2.9Å; K374-D405 PolarHBondContact NZ-OD1 3.17Å; D405-D407 PolarHBondContact O-N 3.24Å; D405-F426 WeakPolarHBondContact O-CD1 3.37Å
406	F	98.1	Very high	96.8	Very high	2 Å²	2	65.1 Å²	65.1	1%	0.009	35%	0.348	C	S	.	.			trans	-68	114.6	-179.3	179.3	-116.7	0	0	0	111.4	L363 T367 P408 A411 F426 V427 A434 K437	L363-F406 HydrophobicContact CD2-CE2 4.1Å; L363-F406 HydrophobicContact CD2-CZ 4.25Å; T367-F406 HydrophobicContact CG2-CD2 3.95Å; T367-F406 HydrophobicContact CG2-CE1 4.26Å; T367-F406 HydrophobicContact CG2-CE2 3.37Å; T367-F406 HydrophobicContact CG2-CZ 3.55Å; F406-P408 HydrophobicContact CE1-CG 3.94Å; F406-P408 HydrophobicContact CZ-CB 4.39Å; F406-P408 HydrophobicContact CZ-CG 3.87Å; F406-A411 HydrophobicContact CD2-CB 4.29Å; F406-A411 HydrophobicContact CE2-CB 4.03Å; F406-F426 HydrophobicContact CB-CB 4.23Å; F406-F426 HydrophobicContact CD2-CB 4.02Å; F406-F426 HydrophobicContact CD2-CG 4.44Å; F406-V427 WeakPolarHBondContact CB-O 3.47Å; F406-V427 PolarHBondContact N-O 3.44Å; F406-A434 HydrophobicContact CD1-CB 4.05Å; F406-A434 HydrophobicContact CE1-CB 4.11Å; F406-K437 HydrophobicContact CD1-CD 4.36Å; F406-K437 WeakPolarHBondContact O-CD 3.47Å; F406-K437 PolarHBondContact O-NZ 3.29Å
407	D	97.7	Very high	96.4	Very high	76 Å²	76	67.8 Å²	67.8	41%	0.406	36%	0.36	S	S	.	.			trans	-128.2	115.4	169.9	175.7	22.9	0	0	0	108.5	D405 D409 A410 A411	D405-D407 PolarHBondContact O-N 3.24Å; D407-D409 VanDerWaalsContact C-N 3.31Å; D407-D409 PolarHBondContact O-N 3.15Å; D407-A410 HydrophobicContact CB-CB 4.22Å; D407-A410 PolarHBondContact O-N 2.99Å; D407-A411 VanDerWaalsContact O-CB 3.29Å; D407-A411 WeakPolarHBondContact O-CB 3.38Å; D407-A411 PolarHBondContact O-N 3.35Å
408	P	97.3	Very high	95.8	Very high	4 Å²	4	68.4 Å²	68.4	3%	0.026	36%	0.364	C	S	.	.	H	α-helix	trans	-58.7	-37.7	-175.5	-25.1	32.9	0	0	0	114.1	L363 F406 A410 A411 A412 K437 Y441	L363-P408 HydrophobicContact CD1-CB 4.46Å; L363-P408 HydrophobicContact CD2-CB 3.96Å; L363-P408 WeakPolarHBondContact CD2-O 3.44Å; F406-P408 HydrophobicContact CE1-CG 3.94Å; F406-P408 HydrophobicContact CZ-CB 4.39Å; F406-P408 HydrophobicContact CZ-CG 3.87Å; P408-A410 PolarHBondContact O-N 2.91Å; P408-A411 PolarHBondContact O-N 3.05Å; P408-A412 WeakPolarHBondContact O-CB 3.24Å; P408-A412 PolarHBondContact O-N 3.48Å; P408-K437 HydrophobicContact CG-CB 3.69Å; P408-Y441 HydrophobicContact CB-CD2 3.77Å; P408-Y441 HydrophobicContact CB-CG 3.8Å
409	D	96.8	Very high	95.2	Very high	101 Å²	101	73.8 Å²	73.8	54%	0.54	39%	0.385	S	S	.	.	H	α-helix	trans	-65.4	-41.9	-178.4	-72.7	-69.8	0	0	0	111.4	D407	D407-D409 VanDerWaalsContact C-N 3.31Å; D407-D409 PolarHBondContact O-N 3.15Å
410	A	97.6	Very high	94.9	Very high	46 Å²	46	70.9 Å²	70.9	38%	0.38	37%	0.369	S	S	.	.	H	α-helix	trans	-71.9	-43.2	175.3	0	0	0	0	0	112.5	D407 P408 Q414	D407-A410 HydrophobicContact CB-CB 4.22Å; D407-A410 PolarHBondContact O-N 2.99Å; P408-A410 PolarHBondContact O-N 2.91Å; A410-Q414 PolarHBondContact O-N 2.85Å
411	A	97.6	Very high	94.8	Very high	0 Å²	0	68.6 Å²	68.6	0%	0	35%	0.354	C	S	.	.	H	α-helix	trans	-66.9	-39.1	-178.1	0	0	0	0	0	112.1	T362 L363 F406 D407 P408 V413 Q414 F426	T362-A411 WeakPolarHBondContact CG2-O 3.22Å; L363-A411 HydrophobicContact CD2-CB 3.87Å; F406-A411 HydrophobicContact CD2-CB 4.29Å; F406-A411 HydrophobicContact CE2-CB 4.03Å; D407-A411 VanDerWaalsContact O-CB 3.29Å; D407-A411 WeakPolarHBondContact O-CB 3.38Å; D407-A411 PolarHBondContact O-N 3.35Å; P408-A411 PolarHBondContact O-N 3.05Å; A411-V413 PolarHBondContact O-N 3.14Å; A411-V413 VanDerWaalsContact O-N 3.1Å; A411-Q414 WeakPolarHBondContact O-CB 3.34Å; A411-Q414 PolarHBondContact O-N 3.29Å; A411-Q414 VanDerWaalsContact O-N 3.13Å; A411-F426 HydrophobicContact CB-CD1 4.27Å; A411-F426 HydrophobicContact CB-CD2 4.16Å; A411-F426 HydrophobicContact CB-CE1 4.01Å; A411-F426 HydrophobicContact CB-CE2 3.88Å; A411-F426 HydrophobicContact CB-CG 4.32Å; A411-F426 HydrophobicContact CB-CZ 3.8Å
412	A	97.2	Very high	94.7	Very high	4 Å²	4	68.1 Å²	68.1	3%	0.033	35%	0.351	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-23.9	-177.5	0	0	0	0	0	114.6	K359 T362 L363 P408 Y441	K359-A412 HydrophobicContact CB-CB 4.01Å; K359-A412 HydrophobicContact CG-CB 4.27Å; T362-A412 WeakPolarHBondContact CB-O 3.46Å; L363-A412 HydrophobicContact CD1-CB 4.23Å; L363-A412 HydrophobicContact CD2-CB 4.13Å; L363-A412 HydrophobicContact CG-CB 3.92Å; P408-A412 WeakPolarHBondContact O-CB 3.24Å; P408-A412 PolarHBondContact O-N 3.48Å; A412-Y441 HydrophobicContact CB-CE2 4.14Å
413	V	96.9	Very high	94.6	Very high	101 Å²	101	67.3 Å²	67.3	61%	0.612	35%	0.354	S	S	*	.	T	Hydrogen-bonded Turn	trans	-113.2	3.1	-179.1	-59.5	0	0	0	0	113.1	A411 P415	A411-V413 PolarHBondContact O-N 3.14Å; A411-V413 VanDerWaalsContact O-N 3.1Å; V413-P415 VanDerWaalsContact O-CD 3.29Å; V413-P415 WeakPolarHBondContact O-CD 3.38Å
414	Q	97.6	Very high	94.6	Very high	39 Å²	39	64.5 Å²	64.5	18%	0.182	34%	0.337	C	S	.	.			trans	-70.5	122.4	178.3	172.5	61.4	55.8	0	0	109.7	T362 F366 A410 A411 F426	T362-Q414 WeakPolarHBondContact CG2-O 3.46Å; F366-Q414 HydrophobicContact CD2-CB 4.33Å; F366-Q414 HydrophobicContact CD2-CG 4.47Å; F366-Q414 HydrophobicContact CE1-CG 4.22Å; F366-Q414 HydrophobicContact CE2-CB 3.61Å; F366-Q414 HydrophobicContact CE2-CG 3.53Å; F366-Q414 WeakPolarHBondContact CE2-O 3.33Å; F366-Q414 HydrophobicContact CZ-CB 4.02Å; F366-Q414 HydrophobicContact CZ-CG 3.36Å; A410-Q414 PolarHBondContact O-N 2.85Å; A411-Q414 WeakPolarHBondContact O-CB 3.34Å; A411-Q414 PolarHBondContact O-N 3.29Å; A411-Q414 VanDerWaalsContact O-N 3.13Å; Q414-F426 HydrophobicContact CB-CE2 4.17Å; Q414-F426 HydrophobicContact CB-CZ 4.28Å; Q414-F426 HydrophobicContact CG-CE2 4.04Å; Q414-F426 HydrophobicContact CG-CZ 4.39Å
415	P	95.1	Very high	94.6	Very high	103 Å²	103	60.6 Å²	60.6	67%	0.669	32%	0.322	S	S	*	.			trans	-64.6	143.7	173	-21.7	33.7	0	0	0	111.6	V413	V413-P415 VanDerWaalsContact O-CD 3.29Å; V413-P415 WeakPolarHBondContact O-CD 3.38Å
416	Y	92.5	Very high	94.7	Very high	99 Å²	99	56 Å²	56	39%	0.388	30%	0.298	S	S	.	.			trans	-139.9	172.9	173.6	65.9	-90.6	0	0	0	111.2	T362 W365 F366	T362-Y416 HydrophobicContact CG2-CD1 4.03Å; T362-Y416 HydrophobicContact CG2-CE1 3.95Å; W365-Y416 HydrophobicContact CB-CE1 4.23Å; W365-Y416 AromaticContact CD1-CD1 3.93Å; W365-Y416 AromaticContact CD1-CD2 3.8Å; W365-Y416 AromaticContact CD1-CG 3.6Å; W365-Y416 AromaticContact CD2-CD2 3.56Å; W365-Y416 HydrophobicContact CD2-CD2 3.56Å; W365-Y416 AromaticContact CD2-CE2 3.51Å; W365-Y416 HydrophobicContact CD2-CE2 3.51Å; W365-Y416 HydrophobicContact CD2-CG 4.17Å; W365-Y416 AromaticContact CE2-CD2 3.28Å; W365-Y416 AromaticContact CE2-CE2 3.72Å; W365-Y416 AromaticContact CE2-CG 3.87Å; W365-Y416 HydrophobicContact CE3-CD2 4.17Å; W365-Y416 AromaticContact CE3-CE2 3.72Å; W365-Y416 HydrophobicContact CE3-CE2 3.72Å; W365-Y416 HydrophobicContact CG-CD1 4.15Å; W365-Y416 AromaticContact CG-CD2 3.88Å; W365-Y416 HydrophobicContact CG-CD2 3.88Å; W365-Y416 HydrophobicContact CG-CE1 4.18Å; W365-Y416 AromaticContact CG-CE2 3.9Å; W365-Y416 HydrophobicContact CG-CE2 3.9Å; W365-Y416 HydrophobicContact CG-CG 4Å; W365-Y416 HydrophobicContact CH2-CD2 4.24Å; W365-Y416 HydrophobicContact CH2-CE2 4.28Å; W365-Y416 AromaticContact CZ2-CD2 3.65Å; W365-Y416 HydrophobicContact CZ2-CD2 3.65Å; W365-Y416 HydrophobicContact CZ2-CE2 4.1Å; W365-Y416 HydrophobicContact CZ3-CD2 4.48Å; W365-Y416 HydrophobicContact CZ3-CE2 4.1Å; W365-Y416 AromaticContact NE1-CD2 3.45Å; W365-Y416 AromaticContact NE1-CG 3.52Å; F366-Y416 HydrophobicContact CE2-CD1 4.08Å; F366-Y416 HydrophobicContact CZ-CD1 4.4Å; F366-Y416 HydrophobicContact CZ-CG 4.48Å
417	Q	89.1	Confident	94.7	Very high	56 Å²	56	56.1 Å²	56.1	26%	0.262	30%	0.298	S	S	.	.			trans	-143.7	157.1	178.4	59.9	73.3	38.6	0	0	109.6	N420 Y421 Q422	Q417-N420 VanDerWaalsContact NE2-C 3.25Å; Q417-N420 PolarHBondContact NE2-O 2.9Å; Q417-Y421 PolarHBondContact NE2-O 3.26Å; Q417-Q422 PolarHBondContact O-NE2 3.36Å; Q417-Q422 PolarHBondContact O-OE1 3.42Å
418	D	83.9	Confident	94.6	Very high	67 Å²	67	52.5 Å²	52.5	36%	0.358	28%	0.279	S	S	.	.	S	Bend	trans	-116.6	12.8	-172.9	59.8	-13.6	0	0	0	114.3	K176 W365	K176-D418 VanDerWaalsContact NZ-CG 3.31Å; K176-D418 IonicContact NZ-OD1 3.29Å; K176-D418 PolarHBondContact NZ-OD1 2.86Å; K176-D418 IonicContact NZ-OD2 3.59Å; K176-D418 PolarHBondContact NZ-OD2 2.62Å; W365-D418 HydrophobicContact CH2-CB 3.83Å
419	Q	83.4	Confident	94.5	Very high	155 Å²	155	56.7 Å²	56.7	72%	0.724	30%	0.298	S	S	*	.	S	Bend	trans	-99.6	-35.1	-177.7	-63.2	-177.2	-8.8	0	0	113.7
420	N	87.9	Confident	94.3	Very high	112 Å²	112	54.4 Å²	54.4	60%	0.599	29%	0.29	S	S	*	.	S	Bend	trans	-124.7	178	-175.4	-62.4	-57.3	0	0	0	110.6	Q417 Q422	Q417-N420 VanDerWaalsContact NE2-C 3.25Å; Q417-N420 PolarHBondContact NE2-O 2.9Å; N420-Q422 PolarHBondContact O-NE2 2.96Å
421	Y	93.3	Very high	94	Very high	116 Å²	116	52.9 Å²	52.9	46%	0.455	28%	0.275	S	S	.	.			trans	-64.9	146.8	174.6	-55	-17.1	0	0	0	111.8	G391 E392 H395 Q417	G391-Y421 WeakPolarHBondContact CA-OH 3.31Å; E392-Y421 VanDerWaalsContact OE1-CA 3.28Å; E392-Y421 WeakPolarHBondContact OE1-CA 3.42Å; E392-Y421 WeakPolarHBondContact OE2-CA 3.29Å; E392-Y421 WeakPolarHBondContact OE2-CD1 3.43Å; H395-Y421 HydrophobicContact CB-CD2 3.7Å; H395-Y421 HydrophobicContact CB-CE2 4.17Å; H395-Y421 HydrophobicContact CB-CG 4.35Å; H395-Y421 AromaticContact CG-CD2 3.6Å; H395-Y421 AromaticContact ND1-CD2 3.87Å; Q417-Y421 PolarHBondContact NE2-O 3.26Å
422	Q	95.6	Very high	93.7	Very high	2 Å²	2	55.6 Å²	55.6	1%	0.009	29%	0.294	C	S	.	.			trans	-68.1	132	-178.3	-53	-56.2	-68.8	0	0	110.2	F370 E392 H395 Q417 N420 V424 Y425	F370-Q422 HydrophobicContact CB-CG 4.37Å; F370-Q422 HydrophobicContact CD1-CG 3.61Å; F370-Q422 HydrophobicContact CD2-CG 4.41Å; F370-Q422 HydrophobicContact CE1-CG 3.95Å; F370-Q422 HydrophobicContact CG-CG 3.88Å; E392-Q422 PolarHBondContact OE1-N 3.49Å; H395-Q422 PolarHBondContact NE2-O 2.94Å; H395-Q422 VanDerWaalsContact NE2-O 3.12Å; Q417-Q422 PolarHBondContact O-NE2 3.36Å; Q417-Q422 PolarHBondContact O-OE1 3.42Å; N420-Q422 PolarHBondContact O-NE2 2.96Å; Q422-V424 VanDerWaalsContact C-N 3.33Å; Q422-Y425 HydrophobicContact CB-CD1 4.39Å; Q422-Y425 HydrophobicContact CB-CE1 3.71Å; Q422-Y425 HydrophobicContact CB-CE2 4.13Å; Q422-Y425 HydrophobicContact CG-CE1 4.06Å; Q422-Y425 PolarHBondContact N-OH 3.18Å; Q422-Y425 VanDerWaalsContact O-CE2 3.24Å; Q422-Y425 WeakPolarHBondContact O-CE2 3.28Å; Q422-Y425 PolarHBondContact O-OH 3.11Å
423	P	96.3	Very high	93.5	Very high	80 Å²	80	57.6 Å²	57.6	52%	0.519	30%	0.304	S	S	.	.	S	Bend	trans	-79.9	-18.5	175	31.8	-34.6	0	0	0	112.5	E402	E402-P423 PolarHBondContact N-O 3.27Å
424	V	97.6	Very high	93.3	Very high	11 Å²	11	52.8 Å²	52.8	7%	0.067	28%	0.275	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-134.5	132.1	-176.6	-176.6	0	0	0	0	109.5	E402 R404 Q422 F426	E402-V424 HydrophobicContact CB-CG2 4.27Å; E402-V424 CarbonylContact O-C 3.51Å; E402-V424 VanDerWaalsContact O-CA 3.29Å; E402-V424 WeakPolarHBondContact O-CA 3.43Å; R404-V424 HydrophobicContact CG-CG1 4.36Å; Q422-V424 VanDerWaalsContact C-N 3.33Å; V424-F426 HydrophobicContact CG1-CE2 4.36Å
425	Y	98.3	Very high	93.2	Very high	0 Å²	0	53.8 Å²	53.8	0%	0	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.4	151.2	172	-61.9	-84.3	0	0	0	111.3	F370 L372 L386 E392 H395 S396 P401 E402 R404 Q422	F370-Y425 HydrophobicContact CB-CD1 4.24Å; F370-Y425 HydrophobicContact CB-CE1 4.2Å; F370-Y425 HydrophobicContact CD1-CE1 4.23Å; F370-Y425 WeakPolarHBondContact O-CD1 3.32Å; L372-Y425 HydrophobicContact CD1-CG 4.03Å; L386-Y425 HydrophobicContact CD2-CE1 3.75Å; E392-Y425 PolarHBondContact OE1-OH 3.22Å; H395-Y425 PolarHBondContact CD2-OH 2.83Å; S396-Y425 VanDerWaalsContact CB-CZ 3.48Å; P401-Y425 HydrophobicContact CB-CD2 3.61Å; P401-Y425 HydrophobicContact CB-CE2 3.46Å; P401-Y425 VanDerWaalsContact CB-CE2 3.46Å; P401-Y425 HydrophobicContact CG-CD2 3.87Å; P401-Y425 HydrophobicContact CG-CE2 3.73Å; E402-Y425 PolarHBondContact O-N 3.39Å; R404-Y425 PolarHBondContact N-O 2.81Å; Q422-Y425 HydrophobicContact CB-CD1 4.39Å; Q422-Y425 HydrophobicContact CB-CE1 3.71Å; Q422-Y425 HydrophobicContact CB-CE2 4.13Å; Q422-Y425 HydrophobicContact CG-CE1 4.06Å; Q422-Y425 PolarHBondContact N-OH 3.18Å; Q422-Y425 VanDerWaalsContact O-CE2 3.24Å; Q422-Y425 WeakPolarHBondContact O-CE2 3.28Å; Q422-Y425 PolarHBondContact O-OH 3.11Å
426	F	98.4	Very high	93.1	Very high	3 Å²	3	51.6 Å²	51.6	1%	0.013	26%	0.264	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-108.7	132.2	173.2	-71.6	-90.4	0	0	0	111.4	F366 L372 R404 D405 F406 A411 Q414 V424	F366-F426 HydrophobicContact CB-CD2 3.66Å; F366-F426 HydrophobicContact CB-CE2 4.27Å; F366-F426 HydrophobicContact CB-CG 4.45Å; F366-F426 AromaticContact CD1-CD2 3.56Å; F366-F426 HydrophobicContact CD1-CD2 3.56Å; F366-F426 AromaticContact CD1-CE2 3.88Å; F366-F426 HydrophobicContact CD1-CE2 3.88Å; F366-F426 HydrophobicContact CD2-CD2 4.27Å; F366-F426 HydrophobicContact CD2-CE2 4.06Å; F366-F426 HydrophobicContact CE1-CD2 4.26Å; F366-F426 HydrophobicContact CE1-CE2 4.2Å; F366-F426 HydrophobicContact CE2-CE2 4.38Å; F366-F426 AromaticContact CG-CD2 3.56Å; F366-F426 HydrophobicContact CG-CD2 3.56Å; F366-F426 AromaticContact CG-CE2 3.8Å; F366-F426 HydrophobicContact CG-CE2 3.8Å; F366-F426 HydrophobicContact CZ-CE2 4.43Å; L372-F426 PolarHBondContact N-O 3.41Å; L372-F426 VanDerWaalsContact N-O 3.11Å; R404-F426 HydrophobicContact CB-CD1 4.05Å; R404-F426 HydrophobicContact CB-CE1 4.09Å; R404-F426 CarbonylContact O-C 3.55Å; R404-F426 VanDerWaalsContact O-CA 3.32Å; R404-F426 WeakPolarHBondContact O-CA 3.44Å; D405-F426 WeakPolarHBondContact O-CD1 3.37Å; F406-F426 HydrophobicContact CB-CB 4.23Å; F406-F426 HydrophobicContact CD2-CB 4.02Å; F406-F426 HydrophobicContact CD2-CG 4.44Å; A411-F426 HydrophobicContact CB-CD1 4.27Å; A411-F426 HydrophobicContact CB-CD2 4.16Å; A411-F426 HydrophobicContact CB-CE1 4.01Å; A411-F426 HydrophobicContact CB-CE2 3.88Å; A411-F426 HydrophobicContact CB-CG 4.32Å; A411-F426 HydrophobicContact CB-CZ 3.8Å; Q414-F426 HydrophobicContact CB-CE2 4.17Å; Q414-F426 HydrophobicContact CB-CZ 4.28Å; Q414-F426 HydrophobicContact CG-CE2 4.04Å; Q414-F426 HydrophobicContact CG-CZ 4.39Å; V424-F426 HydrophobicContact CG1-CE2 4.36Å
427	V	98.4	Very high	93.3	Very high	3 Å²	3	49.9 Å²	49.9	2%	0.018	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.5	122.3	-178.6	-175.5	0	0	0	0	110.3	L372 K374 V379 V403 R404 F406	L372-V427 HydrophobicContact CB-CB 4.39Å; L372-V427 HydrophobicContact CB-CG2 3.75Å; L372-V427 HydrophobicContact CD1-CG2 4.08Å; L372-V427 CarbonylContact O-C 3.59Å; L372-V427 VanDerWaalsContact O-CA 3.28Å; L372-V427 WeakPolarHBondContact O-CA 3.38Å; K374-V427 HydrophobicContact CD-CG1 4.17Å; K374-V427 HydrophobicContact CG-CG1 3.63Å; V379-V427 HydrophobicContact CG1-CG1 4.49Å; V379-V427 HydrophobicContact CG1-CG2 4.13Å; V403-V427 HydrophobicContact CG1-CB 4.39Å; V403-V427 HydrophobicContact CG1-CG2 3.1Å; R404-V427 PolarHBondContact O-N 2.89Å; F406-V427 WeakPolarHBondContact CB-O 3.47Å; F406-V427 PolarHBondContact N-O 3.44Å
428	S	96.9	Very high	93.6	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	25%	0.247	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-86.7	135.9	171.6	-61	0	0	0	0	110.9	L372 C373 K374 S430	L372-S428 PolarHBondContact O-N 3.09Å; C373-S428 CarbonylContact C-O 3.6Å; C373-S428 VanDerWaalsContact CA-O 3.25Å; C373-S428 WeakPolarHBondContact CA-O 3.38Å; K374-S428 PolarHBondContact N-O 2.97Å; S428-S430 VanDerWaalsContact C-N 3.29Å; S428-S430 PolarHBondContact O-N 3.32Å
429	E	95.1	Very high	94.1	Very high	92 Å²	92	49.2 Å²	49.2	43%	0.43	25%	0.249	S	C	.	.	S	Bend	trans	-63.3	-38.8	173.3	-72.3	-59	141.1	0	0	111.6	K374 D433	K374-E429 WeakPolarHBondContact CD-OE1 3.36Å; K374-E429 WeakPolarHBondContact CE-OE1 3.4Å; K374-E429 IonicContact NZ-OE1 2.68Å; K374-E429 PolarHBondContact NZ-OE1 3.49Å; E429-D433 HydrophobicContact CB-CB 4.2Å
430	S	91.9	Very high	94.6	Very high	53 Å²	53	46 Å²	46	37%	0.371	24%	0.244	S	C	.	.			trans	-160.7	164.4	171	65.3	0	0	0	0	109.6	S428 S432 D433 A434	S428-S430 VanDerWaalsContact C-N 3.29Å; S428-S430 PolarHBondContact O-N 3.32Å; S430-S432 PolarHBondContact O-N 2.82Å; S430-D433 PolarHBondContact O-N 3.42Å; S430-D433 WeakPolarHBondContact OG-CB 3.12Å; S430-D433 PolarHBondContact OG-N 3.39Å; S430-D433 VanDerWaalsContact OG-N 3.08Å; S430-A434 PolarHBondContact O-N 2.77Å
431	F	90.2	Very high	95	Very high	14 Å²	14	41.4 Å²	41.4	6%	0.061	22%	0.218	C	C	.	.	H	α-helix	trans	-61.7	-31.1	173.3	-61.3	-51.8	0	0	0	112.9	E244 M332 T337 F338 Y382 R435	E244-F431 HydrophobicContact CB-CE2 4.18Å; E244-F431 HydrophobicContact CG-CD2 4.26Å; E244-F431 HydrophobicContact CG-CE2 3.83Å; M332-F431 HydrophobicContact CE-CE1 4.03Å; M332-F431 HydrophobicContact CE-CE2 3.83Å; M332-F431 HydrophobicContact CE-CZ 3.43Å; M332-F431 VanDerWaalsContact CE-CZ 3.43Å; T337-F431 HydrophobicContact CG2-CB 3.61Å; F338-F431 HydrophobicContact CD2-CD1 4.24Å; F338-F431 HydrophobicContact CD2-CE1 4.15Å; Y382-F431 AromaticContact CD1-CE1 3.64Å; Y382-F431 HydrophobicContact CD1-CE1 3.64Å; Y382-F431 HydrophobicContact CD1-CZ 4.14Å; Y382-F431 AromaticContact CD2-CE1 3.86Å; Y382-F431 HydrophobicContact CD2-CE1 3.86Å; Y382-F431 HydrophobicContact CD2-CZ 4.47Å; Y382-F431 AromaticContact CE1-CE1 3.95Å; Y382-F431 HydrophobicContact CE1-CE1 3.95Å; Y382-F431 HydrophobicContact CE2-CE1 4.19Å; Y382-F431 AromaticContact CG-CE1 3.58Å; Y382-F431 HydrophobicContact CG-CE1 3.58Å; Y382-F431 AromaticContact CG-CZ 3.92Å; Y382-F431 HydrophobicContact CG-CZ 3.92Å; F431-R435 VanDerWaalsContact O-CB 3.26Å; F431-R435 WeakPolarHBondContact O-CB 3.41Å; F431-R435 PolarHBondContact O-N 2.83Å
432	S	91.3	Very high	94.9	Very high	57 Å²	57	36.8 Å²	36.8	40%	0.399	20%	0.204	S	C	.	.	H	α-helix	trans	-69.8	-38.9	175.4	-172	0	0	0	0	112.2	S430 S436	S430-S432 PolarHBondContact O-N 2.82Å; S432-S436 WeakPolarHBondContact O-CB 3.26Å; S432-S436 PolarHBondContact O-N 3.3Å; S432-S436 PolarHBondContact O-OG 3.34Å
433	D	93.1	Very high	94.7	Very high	46 Å²	46	40.9 Å²	40.9	25%	0.246	24%	0.238	C	C	.	.	H	α-helix	trans	-63.1	-52.2	173.2	177.3	63.6	0	0	0	110.8	E429 S430 R435 S436 K437	E429-D433 HydrophobicContact CB-CB 4.2Å; S430-D433 PolarHBondContact O-N 3.42Å; S430-D433 WeakPolarHBondContact OG-CB 3.12Å; S430-D433 PolarHBondContact OG-N 3.39Å; S430-D433 VanDerWaalsContact OG-N 3.08Å; D433-R435 VanDerWaalsContact C-N 3.31Å; D433-R435 PolarHBondContact O-N 3.45Å; D433-S436 PolarHBondContact O-N 2.75Å; D433-K437 PolarHBondContact O-N 2.93Å; D433-K437 WeakPolarHBondContact OD1-CE 3.37Å; D433-K437 IonicContact OD1-NZ 3.71Å; D433-K437 WeakPolarHBondContact OD2-CE 3.24Å; D433-K437 IonicContact OD2-NZ 3.52Å; D433-K437 PolarHBondContact OD2-NZ 3.46Å
434	A	94.2	Very high	94.5	Very high	1 Å²	1	40.5 Å²	40.5	1%	0.008	24%	0.238	C	C	.	.	H	α-helix	trans	-55.4	-45.4	178	0	0	0	0	0	112.2	F341 F406 S430 S436 K437 L438	F341-A434 HydrophobicContact CE2-CB 4.17Å; F406-A434 HydrophobicContact CD1-CB 4.05Å; F406-A434 HydrophobicContact CE1-CB 4.11Å; S430-A434 PolarHBondContact O-N 2.77Å; A434-S436 PolarHBondContact O-N 3.5Å; A434-K437 PolarHBondContact O-N 3.13Å; A434-L438 WeakPolarHBondContact O-CB 3.4Å; A434-L438 PolarHBondContact O-N 3.42Å
435	R	93.8	Very high	94.3	Very high	59 Å²	59	40.7 Å²	40.7	22%	0.223	24%	0.238	C	C	.	.	H	α-helix	trans	-61.7	-41.8	174.8	-172.5	-174.1	69.2	-175	-0.9	112.7	F341 D344 F431 D433 L438 R439	F341-R435 HydrophobicContact CB-CB 4.47Å; F341-R435 HydrophobicContact CD2-CB 4.14Å; D344-R435 WeakPolarHBondContact OD2-CG 3.49Å; F431-R435 VanDerWaalsContact O-CB 3.26Å; F431-R435 WeakPolarHBondContact O-CB 3.41Å; F431-R435 PolarHBondContact O-N 2.83Å; D433-R435 VanDerWaalsContact C-N 3.31Å; D433-R435 PolarHBondContact O-N 3.45Å; R435-L438 PolarHBondContact O-N 3.13Å; R435-R439 WeakPolarHBondContact O-CB 3.4Å; R435-R439 VanDerWaalsContact O-CG 3.32Å; R435-R439 WeakPolarHBondContact O-CG 3.45Å; R435-R439 PolarHBondContact O-N 3.37Å
436	S	94.9	Very high	93.7	Very high	57 Å²	57	50.2 Å²	50.2	40%	0.399	28%	0.279	S	S	.	.	H	α-helix	trans	-67.6	-42.6	-178.7	-57.3	0	0	0	0	111.1	S432 D433 A434 R439 S440	S432-S436 WeakPolarHBondContact O-CB 3.26Å; S432-S436 PolarHBondContact O-N 3.3Å; S432-S436 PolarHBondContact O-OG 3.34Å; D433-S436 PolarHBondContact O-N 2.75Å; A434-S436 PolarHBondContact O-N 3.5Å; S436-R439 PolarHBondContact O-N 2.92Å; S436-S440 PolarHBondContact O-N 3.26Å; S436-S440 VanDerWaalsContact O-N 3.12Å; S436-S440 PolarHBondContact O-OG 2.61Å
437	K	96.8	Very high	93.1	Very high	64 Å²	64	52.6 Å²	52.6	28%	0.278	29%	0.288	S	S	.	.	H	α-helix	trans	-61.6	-47.3	173.3	-71.1	174.6	174.2	166.5	0	111.8	F406 P408 D433 A434 R439 S440 Y441	F406-K437 HydrophobicContact CD1-CD 4.36Å; F406-K437 WeakPolarHBondContact O-CD 3.47Å; F406-K437 PolarHBondContact O-NZ 3.29Å; P408-K437 HydrophobicContact CG-CB 3.69Å; D433-K437 PolarHBondContact O-N 2.93Å; D433-K437 WeakPolarHBondContact OD1-CE 3.37Å; D433-K437 IonicContact OD1-NZ 3.71Å; D433-K437 WeakPolarHBondContact OD2-CE 3.24Å; D433-K437 IonicContact OD2-NZ 3.52Å; D433-K437 PolarHBondContact OD2-NZ 3.46Å; A434-K437 PolarHBondContact O-N 3.13Å; K437-R439 VanDerWaalsContact C-N 3.34Å; K437-R439 PolarHBondContact O-N 3.35Å; K437-S440 WeakPolarHBondContact O-CB 3.44Å; K437-S440 PolarHBondContact O-N 3.2Å; K437-Y441 PolarHBondContact O-N 3.14Å
438	L	94.6	Very high	92.4	Very high	1 Å²	1	57.1 Å²	57.1	1%	0.005	32%	0.318	C	S	.	.	H	α-helix	trans	-60.5	-41.3	177.2	179.6	71.6	0	0	0	112.3	F341 D344 I345 L363 A434 R435 S440 Y441 A442	F341-L438 HydrophobicContact CD2-CB 4.46Å; F341-L438 HydrophobicContact CD2-CD2 3.73Å; F341-L438 HydrophobicContact CE2-CB 3.96Å; F341-L438 HydrophobicContact CE2-CD2 3.5Å; F341-L438 VanDerWaalsContact CE2-CD2 3.5Å; F341-L438 HydrophobicContact CE2-CG 4.27Å; F341-L438 HydrophobicContact CZ-CD2 4.1Å; D344-L438 HydrophobicContact CB-CD2 4.18Å; I345-L438 HydrophobicContact CB-CD2 4.42Å; I345-L438 HydrophobicContact CD1-CD2 4.25Å; I345-L438 HydrophobicContact CG1-CD1 4.21Å; I345-L438 HydrophobicContact CG1-CD2 3.32Å; I345-L438 HydrophobicContact CG1-CG 4.38Å; L363-L438 HydrophobicContact CD1-CD1 4.06Å; A434-L438 WeakPolarHBondContact O-CB 3.4Å; A434-L438 PolarHBondContact O-N 3.42Å; R435-L438 PolarHBondContact O-N 3.13Å; L438-S440 VanDerWaalsContact C-N 3.34Å; L438-S440 PolarHBondContact O-N 2.99Å; L438-Y441 WeakPolarHBondContact O-CB 3.41Å; L438-Y441 PolarHBondContact O-N 2.81Å; L438-A442 WeakPolarHBondContact O-CB 3.32Å; L438-A442 PolarHBondContact O-N 3.06Å
439	R	93.5	Very high	91.9	Very high	108 Å²	108	57.8 Å²	57.8	41%	0.408	32%	0.321	S	S	.	.	H	α-helix	trans	-62.9	-41.5	176.6	-77.7	176.1	179.6	-163.8	-9.1	112.2	D344 R435 S436 K437 Y441 A442 A443	D344-R439 IonicContact OD1-NE 3.07Å; D344-R439 IonicContact OD1-NH2 2.75Å; D344-R439 PolarHBondContact OD1-NH2 2.94Å; D344-R439 IonicContact OD2-CZ 2.75Å; D344-R439 VanDerWaalsContact OD2-CZ 3.26Å; D344-R439 IonicContact OD2-NE 3.71Å; D344-R439 PolarHBondContact OD2-NE 2.96Å; D344-R439 IonicContact OD2-NH2 3.36Å; D344-R439 PolarHBondContact OD2-NH2 3.49Å; R435-R439 WeakPolarHBondContact O-CB 3.4Å; R435-R439 VanDerWaalsContact O-CG 3.32Å; R435-R439 WeakPolarHBondContact O-CG 3.45Å; R435-R439 PolarHBondContact O-N 3.37Å; S436-R439 PolarHBondContact O-N 2.92Å; K437-R439 VanDerWaalsContact C-N 3.34Å; K437-R439 PolarHBondContact O-N 3.35Å; R439-Y441 VanDerWaalsContact C-N 3.34Å; R439-A442 PolarHBondContact O-N 2.88Å; R439-A443 WeakPolarHBondContact O-CB 3.37Å; R439-A443 PolarHBondContact O-N 2.86Å
440	S	95.4	Very high	91.6	Very high	88 Å²	88	57 Å²	57	62%	0.615	33%	0.325	S	S	*	.	H	α-helix	trans	-61.8	-43.6	174.2	-61.5	0	0	0	0	111.3	S436 K437 L438 A443	S436-S440 PolarHBondContact O-N 3.26Å; S436-S440 VanDerWaalsContact O-N 3.12Å; S436-S440 PolarHBondContact O-OG 2.61Å; K437-S440 WeakPolarHBondContact O-CB 3.44Å; K437-S440 PolarHBondContact O-N 3.2Å; L438-S440 VanDerWaalsContact C-N 3.34Å; L438-S440 PolarHBondContact O-N 2.99Å; S440-A443 PolarHBondContact O-N 3.39Å
441	Y	95.4	Very high	91.7	Very high	14 Å²	14	55.6 Å²	55.6	6%	0.055	31%	0.314	C	S	.	.	H	α-helix	trans	-60.6	-50.5	174.2	179.5	-90.8	0	0	0	111.8	K359 L360 L363 P408 A412 K437 L438 R439 A443 S444 I445	K359-Y441 WeakPolarHBondContact CB-OH 3.43Å; K359-Y441 WeakPolarHBondContact CD-OH 3.42Å; L360-Y441 HydrophobicContact CD2-CE1 4.36Å; L363-Y441 HydrophobicContact CD1-CD1 3.63Å; L363-Y441 HydrophobicContact CD1-CE1 3.45Å; L363-Y441 VanDerWaalsContact CD1-CE1 3.45Å; L363-Y441 HydrophobicContact CD1-CG 4.26Å; P408-Y441 HydrophobicContact CB-CD2 3.77Å; P408-Y441 HydrophobicContact CB-CG 3.8Å; A412-Y441 HydrophobicContact CB-CE2 4.14Å; K437-Y441 PolarHBondContact O-N 3.14Å; L438-Y441 WeakPolarHBondContact O-CB 3.41Å; L438-Y441 PolarHBondContact O-N 2.81Å; R439-Y441 VanDerWaalsContact C-N 3.34Å; Y441-A443 PolarHBondContact O-N 3.43Å; Y441-S444 VanDerWaalsContact O-CB 3.3Å; Y441-S444 WeakPolarHBondContact O-CB 3.32Å; Y441-S444 PolarHBondContact O-N 3.24Å; Y441-S444 PolarHBondContact O-OG 3.05Å; Y441-I445 HydrophobicContact CE1-CD1 4.33Å
442	A	92.2	Very high	91.8	Very high	19 Å²	19	57.5 Å²	57.5	16%	0.157	32%	0.323	C	S	.	.	H	α-helix	trans	-61.4	-30.4	-179.7	0	0	0	0	0	113.1	A348 L438 R439 S444 I445	A348-A442 HydrophobicContact CB-CB 3.76Å; L438-A442 WeakPolarHBondContact O-CB 3.32Å; L438-A442 PolarHBondContact O-N 3.06Å; R439-A442 PolarHBondContact O-N 2.88Å; A442-S444 PolarHBondContact O-N 3.17Å; A442-I445 WeakPolarHBondContact O-CB 3.28Å; A442-I445 PolarHBondContact O-N 3.26Å
443	A	91.1	Very high	92	Very high	88 Å²	88	56.4 Å²	56.4	73%	0.727	31%	0.31	S	S	*	.	H	α-helix	trans	-68.7	-19.9	174.5	0	0	0	0	0	113.2	R439 S440 Y441	R439-A443 WeakPolarHBondContact O-CB 3.37Å; R439-A443 PolarHBondContact O-N 2.86Å; S440-A443 PolarHBondContact O-N 3.39Å; Y441-A443 PolarHBondContact O-N 3.43Å
444	S	92.3	Very high	92	Very high	73 Å²	73	55.3 Å²	55.3	51%	0.51	30%	0.303	S	S	.	.	H	α-helix	trans	-80.8	-18.1	175.3	80.9	0	0	0	0	113.4	Y441 A442 K446	Y441-S444 VanDerWaalsContact O-CB 3.3Å; Y441-S444 WeakPolarHBondContact O-CB 3.32Å; Y441-S444 PolarHBondContact O-N 3.24Å; Y441-S444 PolarHBondContact O-OG 3.05Å; A442-S444 PolarHBondContact O-N 3.17Å; S444-K446 PolarHBondContact O-N 3.32Å
445	I	91.8	Very high	91.9	Very high	14 Å²	14	58.5 Å²	58.5	7%	0.072	32%	0.324	C	S	.	.	S	Bend	trans	-66.8	114.6	-180	-58.8	177.4	0	0	0	109.4	A348 A352 E356 L360 Y441 A442 R447	A348-I445 HydrophobicContact CB-CD1 4.06Å; A352-I445 HydrophobicContact CB-CG2 4.48Å; E356-I445 HydrophobicContact CB-CG2 4.42Å; E356-I445 HydrophobicContact CG-CG2 4.21Å; L360-I445 HydrophobicContact CD1-CD1 4.15Å; L360-I445 HydrophobicContact CD2-CD1 4.22Å; L360-I445 HydrophobicContact CG-CD1 4.38Å; Y441-I445 HydrophobicContact CE1-CD1 4.33Å; A442-I445 WeakPolarHBondContact O-CB 3.28Å; A442-I445 PolarHBondContact O-N 3.26Å; I445-R447 HydrophobicContact CG2-CG 4.26Å; I445-R447 PolarHBondContact O-N 3.5Å
446	K	86.7	Confident	91.6	Very high	201 Å²	201	65 Å²	65	87%	0.874	35%	0.35	S	S	*	.			trans	-74.1	111.7	-178.2	-66.3	-176.9	-178.2	175	0	111.1	S444	S444-K446 PolarHBondContact O-N 3.32Å
447	R	86.2	Confident	91.3	Very high	53 Å²	53	66.4 Å²	66.4	20%	0.2	36%	0.356	C	S	.	.			trans	-134	151	171.4	-68.9	177.1	-74.4	177.8	-4.5	109.8	L347 A348 L350 I445 F449	L347-R447 PolarHBondContact O-NH1 3.26Å; A348-R447 PolarHBondContact O-NH1 2.89Å; L350-R447 WeakPolarHBondContact O-CD 3.29Å; L350-R447 PolarHBondContact O-NH1 3.46Å; I445-R447 HydrophobicContact CG2-CG 4.26Å; I445-R447 PolarHBondContact O-N 3.5Å; R447-F449 PolarHBondContact O-N 3.3Å; R447-F449 VanDerWaalsContact O-N 3.09Å
448	P	82.7	Confident	91.2	Very high	97 Å²	97	66.8 Å²	66.8	63%	0.63	36%	0.359	S	S	*	.	S	Bend	trans	-74.8	8.1	179.7	25.8	-26.6	0	0	0	114	K156 F157	K156-P448 WeakPolarHBondContact O-CG 3.38Å; F157-P448 HydrophobicContact CB-CG 4.46Å; F157-P448 HydrophobicContact CD1-CG 4.4Å
449	F	87	Confident	91.1	Very high	15 Å²	15	67.8 Å²	67.8	7%	0.066	37%	0.366	C	S	.	.	S	Bend	trans	-158	162.2	-178.7	50.8	-88.2	0	0	0	109.7	F157 F160 R447 V451 L462 N464	F157-F449 HydrophobicContact CB-CE1 3.51Å; F157-F449 HydrophobicContact CB-CZ 3.85Å; F157-F449 AromaticContact CD1-CD1 3.76Å; F157-F449 HydrophobicContact CD1-CD1 3.76Å; F157-F449 AromaticContact CD1-CE1 3.11Å; F157-F449 HydrophobicContact CD1-CE1 3.11Å; F157-F449 AromaticContact CD1-CZ 3.92Å; F157-F449 HydrophobicContact CD1-CZ 3.92Å; F157-F449 AromaticContact CD2-CE1 3.74Å; F157-F449 HydrophobicContact CD2-CE1 3.74Å; F157-F449 AromaticContact CD2-CZ 3.65Å; F157-F449 HydrophobicContact CD2-CZ 3.65Å; F157-F449 HydrophobicContact CE1-CD1 4.04Å; F157-F449 AromaticContact CE1-CE1 3.69Å; F157-F449 HydrophobicContact CE1-CE1 3.69Å; F157-F449 HydrophobicContact CE1-CZ 4.4Å; F157-F449 HydrophobicContact CE2-CE1 4.24Å; F157-F449 HydrophobicContact CE2-CZ 4.16Å; F157-F449 HydrophobicContact CG-CD1 4.24Å; F157-F449 AromaticContact CG-CE1 3.16Å; F157-F449 HydrophobicContact CG-CE1 3.16Å; F157-F449 AromaticContact CG-CZ 3.55Å; F157-F449 HydrophobicContact CG-CZ 3.55Å; F157-F449 HydrophobicContact CZ-CE1 4.23Å; F160-F449 AromaticContact CE1-CE2 3.84Å; F160-F449 HydrophobicContact CE1-CE2 3.84Å; F160-F449 AromaticContact CE1-CZ 3.81Å; F160-F449 HydrophobicContact CE1-CZ 3.81Å; F160-F449 HydrophobicContact CZ-CE2 4.07Å; F160-F449 HydrophobicContact CZ-CZ 4.45Å; R447-F449 PolarHBondContact O-N 3.3Å; R447-F449 VanDerWaalsContact O-N 3.09Å; F449-V451 HydrophobicContact CD2-CG1 3.82Å; F449-V451 HydrophobicContact CE2-CG1 3.8Å; F449-L462 HydrophobicContact CB-CD2 4.34Å; F449-L462 HydrophobicContact CD2-CD2 3.36Å; F449-L462 HydrophobicContact CE2-CD2 3.81Å; F449-L462 HydrophobicContact CG-CD1 4.44Å; F449-L462 HydrophobicContact CG-CD2 3.85Å; F449-N464 HydrophobicContact CB-CB 3.83Å
450	S	89.8	Confident	91.2	Very high	74 Å²	74	63.1 Å²	63.1	52%	0.517	35%	0.349	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.1	157.6	162.7	-63.5	0	0	0	0	110.1	L463	S450-L463 PolarHBondContact N-O 3.3Å; S450-L463 VanDerWaalsContact N-O 3.11Å; S450-L463 PolarHBondContact O-N 3.15Å
451	V	92.6	Very high	90.9	Very high	24 Å²	24	61.9 Å²	61.9	15%	0.145	33%	0.333	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-116.9	145.8	177.8	-64	0	0	0	0	110.4	F160 L347 L350 F449 I460 E461 L462	F160-V451 HydrophobicContact CZ-CG1 4.28Å; L347-V451 HydrophobicContact CB-CG2 4.26Å; L347-V451 HydrophobicContact CD2-CG2 4.09Å; L347-V451 WeakPolarHBondContact O-CG2 3.24Å; L350-V451 HydrophobicContact CB-CG1 4.35Å; L350-V451 HydrophobicContact CD1-CG2 4.38Å; F449-V451 HydrophobicContact CD2-CG1 3.82Å; F449-V451 HydrophobicContact CE2-CG1 3.8Å; V451-I460 HydrophobicContact CB-CG2 3.84Å; V451-I460 HydrophobicContact CG1-CG2 3.96Å; V451-E461 WeakPolarHBondContact CA-O 3.35Å; V451-L462 HydrophobicContact CG1-CD2 3.91Å
452	K	92.1	Very high	90.6	Very high	55 Å²	55	62 Å²	62	24%	0.239	34%	0.335	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-132.5	135	170.7	176.8	-170.7	164	-138.5	0	108.7	E454 I460 E461 L463	K452-E454 IonicContact NZ-OE2 3.11Å; K452-E454 PolarHBondContact NZ-OE2 3.46Å; K452-I460 WeakPolarHBondContact O-CA 3.45Å; K452-E461 HydrophobicContact CB-CB 4.4Å; K452-E461 PolarHBondContact N-O 2.68Å; K452-E461 IonicContact NZ-OE2 3.29Å; K452-E461 PolarHBondContact NZ-OE2 3.16Å; K452-E461 PolarHBondContact O-N 3.16Å; K452-L463 HydrophobicContact CB-CD1 4.05Å; K452-L463 HydrophobicContact CB-CG 4.34Å
453	Y	95.4	Very high	90.3	Very high	34 Å²	34	62.9 Å²	62.9	13%	0.133	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-81.7	129.7	169.9	-179.9	-107.6	0	0	0	110.2	A298 F299 P455 H458 I460	A298-Y453 WeakPolarHBondContact O-CD2 3.28Å; F299-Y453 HydrophobicContact CB-CE2 4.41Å; F299-Y453 HydrophobicContact CD1-CD2 4.41Å; F299-Y453 AromaticContact CD1-CE2 3.87Å; F299-Y453 HydrophobicContact CD1-CE2 3.87Å; F299-Y453 HydrophobicContact CG-CE2 4.44Å; Y453-P455 HydrophobicContact CD1-CB 4.32Å; Y453-P455 HydrophobicContact CE1-CB 3.89Å; Y453-P455 WeakPolarHBondContact O-CD 3.36Å; Y453-H458 PolarHBondContact OH-CD2 2.97Å; Y453-I460 HydrophobicContact CD2-CD1 3.92Å
454	E	92.9	Very high	89.9	Confident	23 Å²	23	63.5 Å²	63.5	11%	0.107	33%	0.328	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-104	100.1	176	-177.8	42.7	-104.1	0	0	109.6	K452 Y456 T457 H458 S459 E461	K452-E454 IonicContact NZ-OE2 3.11Å; K452-E454 PolarHBondContact NZ-OE2 3.46Å; E454-Y456 VanDerWaalsContact C-N 3.29Å; E454-Y456 PolarHBondContact O-N 2.97Å; E454-Y456 WeakPolarHBondContact OE1-CD2 3.49Å; E454-Y456 PolarHBondContact OE1-N 2.73Å; E454-Y456 VanDerWaalsContact OE1-N 3.11Å; E454-T457 HydrophobicContact CG-CG2 4.26Å; E454-T457 VanDerWaalsContact CG-OG1 3.3Å; E454-T457 WeakPolarHBondContact CG-OG1 3.44Å; E454-T457 PolarHBondContact O-N 3.01Å; E454-H458 WeakPolarHBondContact O-CA 2.76Å; E454-H458 PolarHBondContact O-N 3.31Å; E454-S459 PolarHBondContact N-O 3.29Å; E454-S459 PolarHBondContact O-N 2.92Å; E454-E461 HydrophobicContact CB-CG 4.08Å
455	P	92	Very high	89.4	Confident	68 Å²	68	61.4 Å²	61.4	44%	0.442	31%	0.313	S	S	.	.	T	Hydrogen-bonded Turn	trans	-65.2	-27.7	-173.1	26.7	-36.2	0	0	0	113.6	Y453 T457 H458	Y453-P455 HydrophobicContact CD1-CB 4.32Å; Y453-P455 HydrophobicContact CE1-CB 3.89Å; Y453-P455 WeakPolarHBondContact O-CD 3.36Å; P455-T457 VanDerWaalsContact C-N 3.35Å; P455-H458 PolarHBondContact O-CD2 3.14Å; P455-H458 PolarHBondContact O-NE2 3.36Å
456	Y	88.6	Confident	89	Confident	196 Å²	196	65.3 Å²	65.3	77%	0.769	34%	0.339	S	S	*	.	T	Hydrogen-bonded Turn	trans	-72.6	-31	-178.9	-65.7	-70.7	0	0	0	112.9	E454	E454-Y456 VanDerWaalsContact C-N 3.29Å; E454-Y456 PolarHBondContact O-N 2.97Å; E454-Y456 WeakPolarHBondContact OE1-CD2 3.49Å; E454-Y456 PolarHBondContact OE1-N 2.73Å; E454-Y456 VanDerWaalsContact OE1-N 3.11Å
457	T	89.4	Confident	88.6	Confident	85 Å²	85	61.5 Å²	61.5	52%	0.521	33%	0.325	S	S	.	.	T	Hydrogen-bonded Turn	trans	-106.6	-2.8	-178.2	64.9	0	0	0	0	113	E454 P455 S459	E454-T457 HydrophobicContact CG-CG2 4.26Å; E454-T457 VanDerWaalsContact CG-OG1 3.3Å; E454-T457 WeakPolarHBondContact CG-OG1 3.44Å; E454-T457 PolarHBondContact O-N 3.01Å; P455-T457 VanDerWaalsContact C-N 3.35Å; T457-S459 VanDerWaalsContact C-N 3.26Å; T457-S459 PolarHBondContact O-N 3Å; T457-S459 PolarHBondContact OG1-OG 3.48Å
458	H	93.1	Very high	88.2	Confident	73 Å²	73	61.1 Å²	61.1	34%	0.338	33%	0.328	S	S	.	.	T	Hydrogen-bonded Turn	trans	48	48.1	-172.2	-51.9	138.7	0	0	0	112.2	I164 Y453 E454 P455	I164-H458 HydrophobicContact CB-CB 3.95Å; I164-H458 HydrophobicContact CD1-CB 4.27Å; I164-H458 HydrophobicContact CG2-CB 3.53Å; I164-H458 PolarHBondContact N-O 3.08Å; Y453-H458 PolarHBondContact OH-CD2 2.97Å; E454-H458 WeakPolarHBondContact O-CA 2.76Å; E454-H458 PolarHBondContact O-N 3.31Å; P455-H458 PolarHBondContact O-CD2 3.14Å; P455-H458 PolarHBondContact O-NE2 3.36Å
459	S	93.8	Very high	88.4	Confident	22 Å²	22	60.1 Å²	60.1	15%	0.154	32%	0.317	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-131.9	163.7	-174.8	77.1	0	0	0	0	113.1	R162 E454 T457	R162-S459 CarbonylContact O-C 3.51Å; R162-S459 VanDerWaalsContact O-CA 3.24Å; R162-S459 WeakPolarHBondContact O-CA 3.38Å; R162-S459 WeakPolarHBondContact O-CB 3.39Å; E454-S459 PolarHBondContact N-O 3.29Å; E454-S459 PolarHBondContact O-N 2.92Å; T457-S459 VanDerWaalsContact C-N 3.26Å; T457-S459 PolarHBondContact O-N 3Å; T457-S459 PolarHBondContact OG1-OG 3.48Å
460	I	94.3	Very high	88.3	Confident	9 Å²	9	62.7 Å²	62.7	5%	0.046	34%	0.336	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.3	116.4	174.5	-58	-66.2	0	0	0	109	F160 R162 A298 F299 L347 L350 V451 K452 Y453	F160-I460 HydrophobicContact CE2-CB 4.4Å; F160-I460 HydrophobicContact CE2-CG2 3.92Å; R162-I460 PolarHBondContact O-N 3.23Å; A298-I460 HydrophobicContact CB-CD1 4.43Å; F299-I460 HydrophobicContact CE1-CD1 4.32Å; F299-I460 HydrophobicContact CE1-CG1 3.81Å; F299-I460 HydrophobicContact CE2-CD1 4.48Å; F299-I460 HydrophobicContact CE2-CG1 4.03Å; F299-I460 HydrophobicContact CZ-CD1 4.12Å; F299-I460 HydrophobicContact CZ-CG1 3.38Å; L347-I460 HydrophobicContact CD2-CD1 3.84Å; L350-I460 HydrophobicContact CD1-CB 4.38Å; L350-I460 HydrophobicContact CD1-CD1 3.59Å; L350-I460 HydrophobicContact CD1-CG1 3.68Å; L350-I460 HydrophobicContact CD1-CG2 3.89Å; V451-I460 HydrophobicContact CB-CG2 3.84Å; V451-I460 HydrophobicContact CG1-CG2 3.96Å; K452-I460 WeakPolarHBondContact O-CA 3.45Å; Y453-I460 HydrophobicContact CD2-CD1 3.92Å
461	E	89.3	Confident	87.9	Confident	63 Å²	63	65.3 Å²	65.3	29%	0.294	34%	0.34	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-82.6	131.9	170.5	-62.8	-174.3	152.8	0	0	109.7	V451 K452 E454 S472	V451-E461 WeakPolarHBondContact CA-O 3.35Å; K452-E461 HydrophobicContact CB-CB 4.4Å; K452-E461 PolarHBondContact N-O 2.68Å; K452-E461 IonicContact NZ-OE2 3.29Å; K452-E461 PolarHBondContact NZ-OE2 3.16Å; K452-E461 PolarHBondContact O-N 3.16Å; E454-E461 HydrophobicContact CB-CG 4.08Å; E461-S472 PolarHBondContact OE2-OG 2.88Å
462	L	88.9	Confident	87.5	Confident	17 Å²	17	64.9 Å²	64.9	9%	0.089	34%	0.338	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.1	121.3	168.5	-80	-159.3	0	0	0	110	F157 F160 F449 V451 N464	F157-L462 HydrophobicContact CZ-CD1 4.18Å; F160-L462 HydrophobicContact CZ-CD2 3.78Å; F449-L462 HydrophobicContact CB-CD2 4.34Å; F449-L462 HydrophobicContact CD2-CD2 3.36Å; F449-L462 HydrophobicContact CE2-CD2 3.81Å; F449-L462 HydrophobicContact CG-CD1 4.44Å; F449-L462 HydrophobicContact CG-CD2 3.85Å; V451-L462 HydrophobicContact CG1-CD2 3.91Å; L462-N464 PolarHBondContact O-N 2.95Å
463	L	87.3	Confident	87.4	Confident	36 Å²	36	67.3 Å²	67.3	19%	0.188	35%	0.353	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.4	84.4	172.1	-53.3	-176.8	0	0	0	108	S450 K452 I469 S472	S450-L463 PolarHBondContact N-O 3.3Å; S450-L463 VanDerWaalsContact N-O 3.11Å; S450-L463 PolarHBondContact O-N 3.15Å; K452-L463 HydrophobicContact CB-CD1 4.05Å; K452-L463 HydrophobicContact CB-CG 4.34Å; L463-I469 HydrophobicContact CB-CG1 4.15Å; L463-S472 WeakPolarHBondContact CD2-OG 3.43Å
464	N	82	Confident	87.1	Confident	102 Å²	102	70.1 Å²	70.1	55%	0.545	37%	0.367	S	S	.	.			trans	-126.8	2.2	-174.9	69.9	-10.7	0	0	0	113.5	F449 L462 T468	F449-N464 HydrophobicContact CB-CB 3.83Å; L462-N464 PolarHBondContact O-N 2.95Å; N464-T468 PolarHBondContact N-OG1 2.99Å
465	S	81.3	Confident	86.6	Confident	28 Å²	28	71.3 Å²	71.3	20%	0.196	38%	0.378	C	S	.	.	S	Bend	trans	-144.7	154.2	175.6	89.3	0	0	0	0	111.8	Q467 T468 I469	S465-Q467 VanDerWaalsContact CB-OE1 3.28Å; S465-Q467 PolarHBondContact O-N 3.49Å; S465-Q467 PolarHBondContact OG-N 3.46Å; S465-Q467 PolarHBondContact OG-OE1 3.5Å; S465-T468 PolarHBondContact N-OG1 2.82Å; S465-T468 PolarHBondContact O-N 2.88Å; S465-T468 VanDerWaalsContact O-N 3.15Å; S465-T468 PolarHBondContact O-OG1 3.29Å; S465-T468 PolarHBondContact OG-N 3.31Å; S465-I469 WeakPolarHBondContact O-CG1 3.49Å; S465-I469 PolarHBondContact O-N 3.44Å; S465-I469 VanDerWaalsContact O-N 3.15Å
466	P	82.8	Confident	86.5	Confident	97 Å²	97	71.2 Å²	71.2	63%	0.63	38%	0.376	S	S	*	.	H	α-helix	trans	-53	-37.2	174.5	-27.3	35.6	0	0	0	113	I469 C470	P466-I469 PolarHBondContact O-N 3.42Å; P466-C470 WeakPolarHBondContact O-CB 3.36Å; P466-C470 PolarHBondContact O-N 3.41Å; P466-C470 PolarHBondContact O-SG 2.89Å
467	Q	79.1	Confident	86.7	Confident	121 Å²	121	68.1 Å²	68.1	57%	0.565	36%	0.363	S	S	*	.	H	α-helix	trans	-63.2	-49.8	178.6	-58.6	85.2	-4.3	0	0	111.4	S465 I469 C470 H471	S465-Q467 VanDerWaalsContact CB-OE1 3.28Å; S465-Q467 PolarHBondContact O-N 3.49Å; S465-Q467 PolarHBondContact OG-N 3.46Å; S465-Q467 PolarHBondContact OG-OE1 3.5Å; Q467-I469 VanDerWaalsContact C-N 3.26Å; Q467-I469 PolarHBondContact O-N 3.09Å; Q467-C470 PolarHBondContact O-N 3.1Å; Q467-H471 PolarHBondContact O-N 3.11Å; Q467-H471 VanDerWaalsContact O-N 3.1Å; Q467-H471 PolarHBondContact O-ND1 2.75Å
468	T	78.5	Confident	86.8	Confident	45 Å²	45	68.1 Å²	68.1	28%	0.276	36%	0.36	S	S	.	.	H	α-helix	trans	-59.7	-39.5	179.1	55.2	0	0	0	0	111.8	N464 S465 H471 S472	N464-T468 PolarHBondContact N-OG1 2.99Å; S465-T468 PolarHBondContact N-OG1 2.82Å; S465-T468 PolarHBondContact O-N 2.88Å; S465-T468 VanDerWaalsContact O-N 3.15Å; S465-T468 PolarHBondContact O-OG1 3.29Å; S465-T468 PolarHBondContact OG-N 3.31Å; T468-H471 PolarHBondContact O-N 3.18Å; T468-S472 PolarHBondContact O-N 3.07Å; T468-S472 PolarHBondContact O-OG 3.35Å
469	I	87.2	Confident	86.7	Confident	75 Å²	75	69.6 Å²	69.6	39%	0.385	37%	0.367	S	S	.	.	H	α-helix	trans	-66.5	-44.2	177.6	-63.4	165.5	0	0	0	111.2	L463 S465 P466 Q467 H471 S472 L473	L463-I469 HydrophobicContact CB-CG1 4.15Å; S465-I469 WeakPolarHBondContact O-CG1 3.49Å; S465-I469 PolarHBondContact O-N 3.44Å; S465-I469 VanDerWaalsContact O-N 3.15Å; P466-I469 PolarHBondContact O-N 3.42Å; Q467-I469 VanDerWaalsContact C-N 3.26Å; Q467-I469 PolarHBondContact O-N 3.09Å; I469-H471 PolarHBondContact O-N 3.12Å; I469-S472 PolarHBondContact O-N 2.69Å; I469-L473 HydrophobicContact CG2-CD1 4.05Å; I469-L473 HydrophobicContact CG2-CG 4.43Å; I469-L473 WeakPolarHBondContact O-CG 3.47Å; I469-L473 PolarHBondContact O-N 3.48Å
470	C	84.8	Confident	86.8	Confident	70 Å²	70	73.1 Å²	73.1	47%	0.473	38%	0.383	S	S	.	.	H	α-helix	trans	-59.4	-45.3	177.5	-74.6	0	0	0	0	112.2	P466 Q467 S472 L473 E474	P466-C470 WeakPolarHBondContact O-CB 3.36Å; P466-C470 PolarHBondContact O-N 3.41Å; P466-C470 PolarHBondContact O-SG 2.89Å; Q467-C470 PolarHBondContact O-N 3.1Å; C470-S472 VanDerWaalsContact C-N 3.33Å; C470-S472 PolarHBondContact O-N 3.26Å; C470-L473 PolarHBondContact O-N 2.92Å; C470-L473 VanDerWaalsContact O-N 3.15Å; C470-E474 WeakPolarHBondContact O-CG 3.25Å; C470-E474 PolarHBondContact O-N 3.34Å
471	H	81.6	Confident	86.8	Confident	128 Å²	128	77.2 Å²	77.2	59%	0.593	40%	0.402	S	S	*	.	H	α-helix	trans	-60.8	-42.1	176.6	-70.3	89.6	0	0	0	111.6	Q467 T468 I469 L473 E474	Q467-H471 PolarHBondContact O-N 3.11Å; Q467-H471 VanDerWaalsContact O-N 3.1Å; Q467-H471 PolarHBondContact O-ND1 2.75Å; T468-H471 PolarHBondContact O-N 3.18Å; I469-H471 PolarHBondContact O-N 3.12Å; H471-L473 VanDerWaalsContact C-N 3.31Å; H471-L473 PolarHBondContact O-N 2.88Å; H471-E474 PolarHBondContact O-N 3.22Å
472	S	84	Confident	87	Confident	16 Å²	16	77.9 Å²	77.9	11%	0.112	41%	0.414	C	S	.	.	H	α-helix	trans	-64.8	-34.7	176.1	-56.6	0	0	0	0	112.6	E461 L463 T468 I469 C470	E461-S472 PolarHBondContact OE2-OG 2.88Å; L463-S472 WeakPolarHBondContact CD2-OG 3.43Å; T468-S472 PolarHBondContact O-N 3.07Å; T468-S472 PolarHBondContact O-OG 3.35Å; I469-S472 PolarHBondContact O-N 2.69Å; C470-S472 VanDerWaalsContact C-N 3.33Å; C470-S472 PolarHBondContact O-N 3.26Å
473	L	89.3	Confident	87.3	Confident	105 Å²	105	82.7 Å²	82.7	55%	0.55	44%	0.439	S	S	.	.	H	α-helix	trans	-70.2	-30.1	177	-73.6	171.8	0	0	0	113	I469 C470 H471 V476 R477	I469-L473 HydrophobicContact CG2-CD1 4.05Å; I469-L473 HydrophobicContact CG2-CG 4.43Å; I469-L473 WeakPolarHBondContact O-CG 3.47Å; I469-L473 PolarHBondContact O-N 3.48Å; C470-L473 PolarHBondContact O-N 2.92Å; C470-L473 VanDerWaalsContact O-N 3.15Å; H471-L473 VanDerWaalsContact C-N 3.31Å; H471-L473 PolarHBondContact O-N 2.88Å; L473-V476 PolarHBondContact O-N 3.32Å; L473-R477 PolarHBondContact O-N 2.98Å
474	E	88.1	Confident	87.7	Confident	94 Å²	94	85.1 Å²	85.1	44%	0.439	45%	0.451	S	S	.	.	H	α-helix	trans	-61.3	-44.5	175.4	-73.6	173.9	167.5	0	0	111.4	C470 H471 V476 R477 D478	C470-E474 WeakPolarHBondContact O-CG 3.25Å; C470-E474 PolarHBondContact O-N 3.34Å; H471-E474 PolarHBondContact O-N 3.22Å; E474-V476 VanDerWaalsContact C-N 3.33Å; E474-V476 PolarHBondContact O-N 3.27Å; E474-R477 WeakPolarHBondContact O-CB 3.28Å; E474-R477 PolarHBondContact O-N 3.36Å; E474-R477 VanDerWaalsContact O-N 3.14Å; E474-D478 PolarHBondContact O-N 3.36Å
475	S	83.7	Confident	88.4	Confident	47 Å²	47	85 Å²	85	33%	0.329	45%	0.451	S	S	.	.	H	α-helix	trans	-58.5	-43.3	175.3	-171.3	0	0	0	0	112.2	R477 D478 E479	S475-R477 VanDerWaalsContact C-N 3.32Å; S475-R477 PolarHBondContact O-N 2.93Å; S475-D478 PolarHBondContact O-N 2.92Å; S475-E479 PolarHBondContact O-N 2.7Å; S475-E479 VanDerWaalsContact O-N 3.08Å
476	V	89.8	Confident	89.1	Confident	67 Å²	67	86.2 Å²	86.2	41%	0.406	46%	0.462	S	S	.	.	H	α-helix	trans	-65.3	-38	178	177.2	0	0	0	0	111.1	L473 E474 D478 E479 L480	L473-V476 PolarHBondContact O-N 3.32Å; E474-V476 VanDerWaalsContact C-N 3.33Å; E474-V476 PolarHBondContact O-N 3.27Å; V476-D478 VanDerWaalsContact C-N 3.34Å; V476-E479 PolarHBondContact O-N 3.3Å; V476-L480 HydrophobicContact CG1-CD1 4.18Å; V476-L480 WeakPolarHBondContact O-CB 3.41Å; V476-L480 WeakPolarHBondContact O-CG 3.37Å; V476-L480 PolarHBondContact O-N 3.1Å
477	R	92.6	Very high	89.7	Confident	131 Å²	131	86.2 Å²	86.2	49%	0.494	46%	0.456	S	S	.	.	H	α-helix	trans	-62.9	-41.5	176.1	-173.8	-174	66.5	-173.8	-4.8	111.4	L473 E474 S475 L480 H481	L473-R477 PolarHBondContact O-N 2.98Å; E474-R477 WeakPolarHBondContact O-CB 3.28Å; E474-R477 PolarHBondContact O-N 3.36Å; E474-R477 VanDerWaalsContact O-N 3.14Å; S475-R477 VanDerWaalsContact C-N 3.32Å; S475-R477 PolarHBondContact O-N 2.93Å; R477-L480 PolarHBondContact O-N 2.79Å; R477-H481 PolarHBondContact O-N 2.94Å
478	D	90.8	Very high	90.5	Very high	84 Å²	84	85.5 Å²	85.5	45%	0.449	46%	0.456	S	S	.	.	H	α-helix	trans	-68.8	-36.5	179.9	-66.5	-14.9	0	0	0	111.9	E474 S475 V476 H481 S482	E474-D478 PolarHBondContact O-N 3.36Å; S475-D478 PolarHBondContact O-N 2.92Å; V476-D478 VanDerWaalsContact C-N 3.34Å; D478-H481 PolarHBondContact O-N 2.93Å; D478-S482 PolarHBondContact O-N 3.19Å; D478-S482 PolarHBondContact O-OG 3.04Å
479	E	92.1	Very high	91.4	Very high	105 Å²	105	89.2 Å²	89.2	49%	0.491	48%	0.479	S	S	.	.	H	α-helix	trans	-62.7	-46.8	170	-73.1	176.3	-160.9	0	0	111.7	S475 V476 H481 S482 L483	S475-E479 PolarHBondContact O-N 2.7Å; S475-E479 VanDerWaalsContact O-N 3.08Å; V476-E479 PolarHBondContact O-N 3.3Å; E479-H481 VanDerWaalsContact C-N 3.35Å; E479-H481 PolarHBondContact O-N 3.08Å; E479-S482 WeakPolarHBondContact O-CB 3.44Å; E479-S482 PolarHBondContact O-N 3.46Å; E479-S482 VanDerWaalsContact O-N 3.15Å; E479-L483 WeakPolarHBondContact O-CG 3.21Å; E479-L483 PolarHBondContact O-N 3.11Å
480	L	95.1	Very high	91.7	Very high	95 Å²	95	92.4 Å²	92.4	50%	0.497	50%	0.495	S	S	.	.	H	α-helix	trans	-60.2	-43.2	176.1	-76.8	170.9	0	0	0	111.9	V476 R477 S482 L483 I484	V476-L480 HydrophobicContact CG1-CD1 4.18Å; V476-L480 WeakPolarHBondContact O-CB 3.41Å; V476-L480 WeakPolarHBondContact O-CG 3.37Å; V476-L480 PolarHBondContact O-N 3.1Å; R477-L480 PolarHBondContact O-N 2.79Å; L480-S482 VanDerWaalsContact C-N 3.31Å; L480-S482 PolarHBondContact O-N 2.92Å; L480-L483 PolarHBondContact O-N 3.03Å; L480-I484 VanDerWaalsContact O-CG1 3.24Å; L480-I484 WeakPolarHBondContact O-CG1 3.32Å; L480-I484 PolarHBondContact O-N 2.82Å
481	H	94.8	Very high	91.6	Very high	95 Å²	95	95.2 Å²	95.2	44%	0.44	52%	0.516	S	S	.	.	H	α-helix	trans	-60	-41.6	174.4	-74.2	173.8	0	0	0	111.9	R477 D478 E479 L483 I484 N485	R477-H481 PolarHBondContact O-N 2.94Å; D478-H481 PolarHBondContact O-N 2.93Å; E479-H481 VanDerWaalsContact C-N 3.35Å; E479-H481 PolarHBondContact O-N 3.08Å; H481-L483 VanDerWaalsContact C-N 3.34Å; H481-L483 PolarHBondContact O-N 2.87Å; H481-I484 PolarHBondContact O-N 2.94Å; H481-N485 WeakPolarHBondContact O-CB 3.38Å; H481-N485 VanDerWaalsContact O-CG 3.27Å; H481-N485 PolarHBondContact O-N 2.79Å; H481-N485 PolarHBondContact O-ND2 3.07Å
482	S	94.3	Very high	92.1	Very high	77 Å²	77	93.6 Å²	93.6	54%	0.538	51%	0.512	S	S	.	.	H	α-helix	trans	-62.8	-41.5	177	-59.8	0	0	0	0	111.7	D478 E479 L480 N485 A486	D478-S482 PolarHBondContact O-N 3.19Å; D478-S482 PolarHBondContact O-OG 3.04Å; E479-S482 WeakPolarHBondContact O-CB 3.44Å; E479-S482 PolarHBondContact O-N 3.46Å; E479-S482 VanDerWaalsContact O-N 3.15Å; L480-S482 VanDerWaalsContact C-N 3.31Å; L480-S482 PolarHBondContact O-N 2.92Å; S482-N485 PolarHBondContact O-N 2.79Å; S482-A486 WeakPolarHBondContact O-CB 3.37Å; S482-A486 PolarHBondContact O-N 3.32Å
483	L	95.2	Very high	92.6	Very high	119 Å²	119	97.7 Å²	97.7	62%	0.623	53%	0.533	S	S	*	.	H	α-helix	trans	-67.5	-40.2	176	-68.6	174.3	0	0	0	112.5	E479 L480 H481 A486 L487	E479-L483 WeakPolarHBondContact O-CG 3.21Å; E479-L483 PolarHBondContact O-N 3.11Å; L480-L483 PolarHBondContact O-N 3.03Å; H481-L483 VanDerWaalsContact C-N 3.34Å; H481-L483 PolarHBondContact O-N 2.87Å; L483-A486 PolarHBondContact O-N 3.12Å; L483-L487 WeakPolarHBondContact O-CB 3.41Å; L483-L487 PolarHBondContact O-N 2.81Å
484	I	95.8	Very high	92.8	Very high	86 Å²	86	97.3 Å²	97.3	44%	0.441	53%	0.532	S	S	.	.	H	α-helix	trans	-61.7	-45.4	174.5	-70.2	163.4	0	0	0	110.2	L480 H481 A486 L487 N488	L480-I484 VanDerWaalsContact O-CG1 3.24Å; L480-I484 WeakPolarHBondContact O-CG1 3.32Å; L480-I484 PolarHBondContact O-N 2.82Å; H481-I484 PolarHBondContact O-N 2.94Å; I484-A486 PolarHBondContact O-N 3.45Å; I484-L487 PolarHBondContact O-N 2.7Å; I484-N488 VanDerWaalsContact O-CG 3.24Å; I484-N488 PolarHBondContact O-N 2.81Å; I484-N488 PolarHBondContact O-ND2 2.99Å
485	N	95.6	Very high	93	Very high	101 Å²	101	97.5 Å²	97.5	54%	0.54	54%	0.537	S	S	.	.	H	α-helix	trans	-61.8	-44.4	176.3	-72.5	-23	0	0	0	111.7	H481 S482 L487 N488 V489	H481-N485 WeakPolarHBondContact O-CB 3.38Å; H481-N485 VanDerWaalsContact O-CG 3.27Å; H481-N485 PolarHBondContact O-N 2.79Å; H481-N485 PolarHBondContact O-ND2 3.07Å; S482-N485 PolarHBondContact O-N 2.79Å; N485-L487 VanDerWaalsContact C-N 3.33Å; N485-L487 PolarHBondContact O-N 2.88Å; N485-N488 PolarHBondContact O-N 2.81Å; N485-V489 WeakPolarHBondContact O-CG2 3.29Å; N485-V489 PolarHBondContact O-N 2.76Å; N485-V489 VanDerWaalsContact O-N 3.13Å
486	A	96.2	Very high	93.6	Very high	52 Å²	52	100.6 Å²	100.6	43%	0.43	55%	0.551	S	S	.	*	H	α-helix	trans	-60.5	-42.5	175.7	0	0	0	0	0	111.8	S482 L483 I484 V489 I490	S482-A486 WeakPolarHBondContact O-CB 3.37Å; S482-A486 PolarHBondContact O-N 3.32Å; L483-A486 PolarHBondContact O-N 3.12Å; I484-A486 PolarHBondContact O-N 3.45Å; A486-V489 PolarHBondContact O-N 3.25Å; A486-I490 WeakPolarHBondContact O-CG1 3.48Å; A486-I490 PolarHBondContact O-N 2.9Å
487	L	95.9	Very high	93.9	Very high	98 Å²	98	102.9 Å²	102.9	51%	0.513	56%	0.56	S	S	.	*	H	α-helix	trans	-63	-41.9	176.9	-175.1	64.2	0	0	0	111.7	L483 I484 N485 V489 I490 S491	L483-L487 WeakPolarHBondContact O-CB 3.41Å; L483-L487 PolarHBondContact O-N 2.81Å; I484-L487 PolarHBondContact O-N 2.7Å; N485-L487 VanDerWaalsContact C-N 3.33Å; N485-L487 PolarHBondContact O-N 2.88Å; L487-V489 PolarHBondContact O-N 2.68Å; L487-I490 HydrophobicContact CD1-CD1 4.36Å; L487-I490 HydrophobicContact CD1-CG1 4.39Å; L487-I490 WeakPolarHBondContact O-CG1 3.33Å; L487-I490 PolarHBondContact O-N 3.38Å; L487-S491 VanDerWaalsContact O-CB 3.28Å; L487-S491 WeakPolarHBondContact O-CB 3.45Å; L487-S491 PolarHBondContact O-N 3.29Å; L487-S491 PolarHBondContact O-OG 2.7Å
488	N	96	Very high	94	Very high	105 Å²	105	100.9 Å²	100.9	56%	0.561	57%	0.565	S	S	*	*	H	α-helix	trans	-66.9	-22.1	176.9	-69.7	-24	0	0	0	113.6	I484 N485	I484-N488 VanDerWaalsContact O-CG 3.24Å; I484-N488 PolarHBondContact O-N 2.81Å; I484-N488 PolarHBondContact O-ND2 2.99Å; N485-N488 PolarHBondContact O-N 2.81Å
489	V	96.1	Very high	94.2	Very high	124 Å²	124	102.2 Å²	102.2	75%	0.752	57%	0.574	S	S	*	*	H	α-helix	trans	-78.7	-31.6	175.8	169.4	0	0	0	0	111.7	N485 A486 L487	N485-V489 WeakPolarHBondContact O-CG2 3.29Å; N485-V489 PolarHBondContact O-N 2.76Å; N485-V489 VanDerWaalsContact O-N 3.13Å; A486-V489 PolarHBondContact O-N 3.25Å; L487-V489 PolarHBondContact O-N 2.68Å
490	I	95.1	Very high	94.4	Very high	141 Å²	141	101.9 Å²	101.9	72%	0.723	58%	0.581	S	S	*	*	H	α-helix	trans	-100.3	-14.5	-176	65.3	177.2	0	0	0	114	A486 L487	A486-I490 WeakPolarHBondContact O-CG1 3.48Å; A486-I490 PolarHBondContact O-N 2.9Å; L487-I490 HydrophobicContact CD1-CD1 4.36Å; L487-I490 HydrophobicContact CD1-CG1 4.39Å; L487-I490 WeakPolarHBondContact O-CG1 3.33Å; L487-I490 PolarHBondContact O-N 3.38Å
491	S	82.5	Confident	94.3	Very high	130 Å²	130	102.5 Å²	102.5	91%	0.909	59%	0.588	S	S	*	*			trans	-91	0	173.5	-50.6	0	0	0	0	110.2	L487	L487-S491 VanDerWaalsContact O-CB 3.28Å; L487-S491 WeakPolarHBondContact O-CB 3.45Å; L487-S491 PolarHBondContact O-N 3.29Å; L487-S491 PolarHBondContact O-OG 2.7Å

Retrieved 491 of 491 residues in 88.3 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).