A0A3B3TVN9_9TELE Loading...

non-specific serine/threonine protein kinase

AlphaFold DB , UniProt , Accession A0A3B3TVN9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 331 aa.

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(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	35.4	Very low	32.7	Very low	239 Å²	239	173.8 Å²	173.8	100%	1.177	87%	0.871	S	S	*	*				0	124.5	0	-82	174.2	165.2	0	0	108.5
2	Q	35.7	Very low	32.5	Very low	189 Å²	189	172.9 Å²	172.9	88%	0.883	87%	0.869	S	S	*	*			trans	58.7	99.4	152.5	-71.9	170.7	-14.4	0	0	122.2
3	N	27.3	Very low	32.2	Very low	156 Å²	156	174.3 Å²	174.3	83%	0.834	87%	0.871	S	S	*	*				-5.9	156.3	129	-81.8	-8.4	0	0	0	122.2
4	K	33.1	Very low	32.2	Very low	183 Å²	183	177.1 Å²	177.1	80%	0.796	87%	0.866	S	S	*	*			trans	108.9	132.3	152.9	-64.4	-172.1	177.7	-178.1	0	113.2
5	E	36.2	Very low	31.9	Very low	177 Å²	177	177.7 Å²	177.7	83%	0.827	87%	0.867	S	S	*	*			cis	-161.6	159.3	37.2	-136.3	155.8	-142	0	0	113.8
6	N	30.6	Very low	31.9	Very low	149 Å²	149	178.8 Å²	178.8	80%	0.797	87%	0.866	S	S	*	*			trans	-67.5	157.9	-176.7	-71.6	-35.3	0	0	0	114.6
7	Y	30.9	Very low	31.8	Very low	235 Å²	235	175 Å²	175	92%	0.922	86%	0.856	S	S	*	*				-166.6	112.8	125.2	-122.3	-89.9	0	0	0	112
8	E	32.8	Very low	31.5	Very low	176 Å²	176	172.5 Å²	172.5	82%	0.822	86%	0.856	S	S	*	*			trans	-88.1	151.5	164.3	-74.3	-176.1	147.1	0	0	110.8
9	P	36.8	Very low	31.5	Very low	126 Å²	126	169.7 Å²	169.7	82%	0.818	85%	0.849	S	S	*	*			trans	-105.3	107	157.9	25.4	-10.3	0	0	0	112.6
10	K	33	Very low	31.2	Very low	202 Å²	202	167 Å²	167	88%	0.878	85%	0.846	S	S	*	*			trans	28	113.1	139.1	-65	-178.3	178.2	178.6	0	119
11	G	27.9	Very low	31.2	Very low	80 Å²	80	165.3 Å²	165.3	83%	0.825	84%	0.844	S	S	*	*			trans	-71.6	149.8	162.4	0	0	0	0	0	114.2
12	L	30.6	Very low	31	Very low	163 Å²	163	160.1 Å²	160.1	85%	0.853	83%	0.826	S	S	*	*			trans	-100.9	106.6	160.1	-107.5	88	0	0	0	108.5
13	Q	29	Very low	30.6	Very low	191 Å²	191	154.4 Å²	154.4	89%	0.893	82%	0.818	S	S	*	*			trans	-77.1	120.2	161.6	-91.9	165.6	-24.5	0	0	108.8
14	R	31.9	Very low	30.8	Very low	213 Å²	213	153.4 Å²	153.4	80%	0.804	82%	0.82	S	S	*	*			trans	-108.5	111.5	156.8	-80.9	-171.9	175.6	-172.3	-0.4	108.6
15	Q	27.8	Very low	30.6	Very low	186 Å²	186	153.7 Å²	153.7	87%	0.869	82%	0.824	S	S	*	*			trans	-64.4	127	167.9	-69.2	172.3	-13.4	0	0	108.8
16	F	31.3	Very low	30.1	Very low	196 Å²	196	156.5 Å²	156.5	86%	0.86	83%	0.827	S	S	*	*			trans	-99.9	115.6	166	-84.8	-87.2	0	0	0	108.6
17	T	30.6	Very low	30	Very low	114 Å²	114	155.5 Å²	155.5	70%	0.699	83%	0.826	S	S	*	*			trans	-76.3	142.7	167.3	44.1	0	0	0	0	109.8	V19	T17-V19 PolarHBondContact O-N 3.04Å
18	P	27	Very low	29.8	Very low	130 Å²	130	151.7 Å²	151.7	84%	0.844	82%	0.821	S	S	*	*			trans	-81.2	116.8	178.5	30.2	-29.1	0	0	0	110
19	V	30.7	Very low	29.6	Very low	120 Å²	120	149.5 Å²	149.5	73%	0.727	82%	0.819	S	S	*	*			trans	-95.6	113.7	169.6	-177.5	0	0	0	0	108.5	T17 V21	T17-V19 PolarHBondContact O-N 3.04Å; V19-V21 HydrophobicContact CG1-CG2 4.43Å; V19-V21 PolarHBondContact O-N 2.93Å
20	S	26.1	Very low	29.3	Very low	114 Å²	114	152.3 Å²	152.3	80%	0.797	82%	0.819	S	S	*	*			trans	-65.7	116	168.8	29.4	0	0	0	0	110.2
21	V	30.2	Very low	29	Very low	133 Å²	133	148.9 Å²	148.9	81%	0.806	82%	0.817	S	S	*	*			trans	-111.1	111	169.3	-174.3	0	0	0	0	108.5	V19	V19-V21 HydrophobicContact CG1-CG2 4.43Å; V19-V21 PolarHBondContact O-N 2.93Å
22	T	31.2	Very low	29.1	Very low	130 Å²	130	155.2 Å²	155.2	80%	0.798	82%	0.822	S	S	*	*	P	Polyproline II helix	trans	-64.1	126.3	171.8	39	0	0	0	0	110.2
23	G	27.7	Very low	29	Very low	69 Å²	69	151.4 Å²	151.4	71%	0.711	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-77.4	145.8	175.6	0	0	0	0	0	112.1
24	P	31.4	Very low	29.1	Very low	135 Å²	135	150 Å²	150	88%	0.877	81%	0.813	S	S	*	*	P	Polyproline II helix	trans	-80.6	141.2	169.4	28	-28.8	0	0	0	112.2
25	Q	29	Very low	28.9	Very low	189 Å²	189	144.6 Å²	144.6	88%	0.883	81%	0.814	S	S	*	*	P	Polyproline II helix	trans	-61.7	148.9	-171.4	-76.2	162.7	-38.9	0	0	115.4	V27	Q25-V27 PolarHBondContact O-N 2.76Å
26	R	26.1	Very low	28.9	Very low	236 Å²	236	145.1 Å²	145.1	89%	0.891	82%	0.816	S	S	*	*			trans	-69.4	109.8	174.2	-157	178.7	-166.1	-177.3	3.5	110
27	V	28.9	Very low	28.7	Very low	127 Å²	127	143.3 Å²	143.3	77%	0.77	81%	0.808	S	S	*	*			trans	-86.7	115.1	167.9	-179.3	0	0	0	0	108.6	Q25 V29	Q25-V27 PolarHBondContact O-N 2.76Å; V27-V29 HydrophobicContact CG1-CG2 4.37Å; V27-V29 PolarHBondContact O-N 2.92Å
28	L	25.3	Very low	28.5	Very low	155 Å²	155	143.4 Å²	143.4	81%	0.812	81%	0.813	S	S	*	*			trans	-71	118.1	170.3	-110.3	94.2	0	0	0	109.4
29	V	29.4	Very low	28.5	Very low	130 Å²	130	145.9 Å²	145.9	79%	0.788	81%	0.807	S	S	*	*			trans	-111.2	119.7	165.4	-177.9	0	0	0	0	108.1	V27	V27-V29 HydrophobicContact CG1-CG2 4.37Å; V27-V29 PolarHBondContact O-N 2.92Å
30	K	29.6	Very low	28.4	Very low	186 Å²	186	145.5 Å²	145.5	81%	0.809	81%	0.805	S	S	*	*	P	Polyproline II helix	trans	-69.6	147	175.1	-70.4	179.1	176.1	178.8	0	110.3
31	P	28.3	Very low	28.6	Very low	130 Å²	130	144.4 Å²	144.4	84%	0.844	80%	0.802	S	S	*	*	P	Polyproline II helix	trans	-76	131.8	175	10	3.5	0	0	0	110.8
32	K	29.6	Very low	28.4	Very low	212 Å²	212	141.4 Å²	141.4	92%	0.922	80%	0.799	S	S	*	*	P	Polyproline II helix	trans	-89.4	137.2	162.9	-98.7	-175.2	173.4	-177.4	0	109.4
33	A	28.8	Very low	28.5	Very low	84 Å²	84	139.4 Å²	139.4	69%	0.694	79%	0.788	S	S	*	*	P	Polyproline II helix	trans	-78.6	157	177.8	0	0	0	0	0	112.6
34	D	29.4	Very low	28.8	Very low	161 Å²	161	139.6 Å²	139.6	86%	0.861	79%	0.79	S	S	*	*			trans	64	107.3	155.6	-55.4	-31.9	0	0	0	120.3
35	A	29.4	Very low	29.1	Very low	100 Å²	100	143.9 Å²	143.9	83%	0.826	79%	0.788	S	S	*	*			trans	-151.9	106.3	142.2	0	0	0	0	0	109.5
36	E	26.8	Very low	29.1	Very low	196 Å²	196	143.9 Å²	143.9	92%	0.916	79%	0.788	S	S	*	*			trans	4.7	117.3	161.1	-64.8	173.4	162	0	0	119.2
37	K	28.4	Very low	29.2	Very low	158 Å²	158	139 Å²	139	69%	0.687	79%	0.789	S	S	*	*			trans	-86.5	109.5	161.6	-71.6	-179.2	179.2	176.5	0	109.4	Y39	K37-Y39 HydrophobicContact CB-CD2 3.87Å; K37-Y39 HydrophobicContact CB-CE2 3.46Å; K37-Y39 VanDerWaalsContact CB-CE2 3.46Å; K37-Y39 HydrophobicContact CD-CE1 4.39Å; K37-Y39 HydrophobicContact CD-CE2 3.76Å; K37-Y39 WeakPolarHBondContact CD-OH 3.08Å; K37-Y39 HydrophobicContact CG-CE2 4.29Å; K37-Y39 PolarHBondContact NZ-OH 2.99Å; K37-Y39 WeakPolarHBondContact O-CD2 3.46Å; K37-Y39 PolarHBondContact O-N 3.16Å; K37-Y39 VanDerWaalsContact O-N 3.16Å
38	S	25	Very low	29.4	Very low	116 Å²	116	138.9 Å²	138.9	81%	0.811	79%	0.788	S	S	*	*			trans	-72.6	99	162.4	56.6	0	0	0	0	109.3
39	Y	27.6	Very low	30	Very low	183 Å²	183	137.1 Å²	137.1	72%	0.718	79%	0.789	S	S	*	*			trans	-85.4	112.2	168.9	-67.9	-84.5	0	0	0	109	K37	K37-Y39 HydrophobicContact CB-CD2 3.87Å; K37-Y39 HydrophobicContact CB-CE2 3.46Å; K37-Y39 VanDerWaalsContact CB-CE2 3.46Å; K37-Y39 HydrophobicContact CD-CE1 4.39Å; K37-Y39 HydrophobicContact CD-CE2 3.76Å; K37-Y39 WeakPolarHBondContact CD-OH 3.08Å; K37-Y39 HydrophobicContact CG-CE2 4.29Å; K37-Y39 PolarHBondContact NZ-OH 2.99Å; K37-Y39 WeakPolarHBondContact O-CD2 3.46Å; K37-Y39 PolarHBondContact O-N 3.16Å; K37-Y39 VanDerWaalsContact O-N 3.16Å
40	V	28.2	Very low	30.3	Very low	112 Å²	112	134.4 Å²	134.4	68%	0.679	78%	0.776	S	S	*	*			trans	-90.9	113.2	167.7	-176.8	0	0	0	0	107.8	P331	V40-P331 HydrophobicContact CG1-CB 4.27Å
41	A	29.9	Very low	31	Very low	90 Å²	90	131.9 Å²	131.9	74%	0.744	78%	0.781	S	S	*	*	P	Polyproline II helix	trans	-80.4	142.4	-178.8	0	0	0	0	0	111.7
42	G	27	Very low	31.4	Very low	71 Å²	71	129.2 Å²	129.2	73%	0.732	77%	0.766	S	S	*	*	P	Polyproline II helix	trans	-97.1	144	163.4	0	0	0	0	0	110.8
43	P	32.9	Very low	31.9	Very low	88 Å²	88	127.8 Å²	127.8	57%	0.571	77%	0.769	S	S	*	*	P	Polyproline II helix	trans	-91.1	138.2	-163	12.7	5.7	0	0	0	113.6	K329	P43-K329 HydrophobicContact CG-CD 3.65Å; P43-K329 PolarHBondContact O-NZ 3.19Å
44	G	33.3	Very low	32.3	Very low	73 Å²	73	127.7 Å²	127.7	75%	0.753	76%	0.763	S	S	*	*			trans	142.6	50.1	159.3	0	0	0	0	0	116.3
45	R	37.5	Very low	33	Very low	225 Å²	225	125.1 Å²	125.1	85%	0.849	76%	0.755	S	S	*	*			trans	-143.8	124.9	153	-76.5	-164.5	176.7	178.4	-0.9	109.5
46	E	30.5	Very low	34.2	Very low	188 Å²	188	126 Å²	126	88%	0.879	75%	0.752	S	S	*	*			trans	-54	144.1	164	-71.5	172.4	154.3	0	0	109.9	V48	E46-V48 PolarHBondContact O-N 2.97Å
47	C	28.6	Very low	35.9	Very low	134 Å²	134	124.7 Å²	124.7	91%	0.905	74%	0.743	S	S	*	*			trans	-61.1	105.1	-175.8	-69.9	0	0	0	0	111.4
48	V	31.7	Very low	38.6	Very low	124 Å²	124	126.1 Å²	126.1	75%	0.752	75%	0.75	S	S	*	*			trans	-91.1	105.3	147.5	-173.1	0	0	0	0	105.9	E46 S50	E46-V48 PolarHBondContact O-N 2.97Å; V48-S50 VanDerWaalsContact C-N 3.34Å; V48-S50 PolarHBondContact O-N 2.83Å
49	S	38.7	Very low	41.9	Very low	119 Å²	119	123.8 Å²	123.8	83%	0.832	73%	0.725	S	S	*	*			trans	-59.9	97.9	166.5	53.2	0	0	0	0	108.6
50	S	34.4	Very low	45.2	Very low	73 Å²	73	118.1 Å²	118.1	51%	0.51	71%	0.709	S	S	.	*			trans	-142.4	96.3	162.1	63.6	0	0	0	0	109.1	V48 S52	V48-S50 VanDerWaalsContact C-N 3.34Å; V48-S50 PolarHBondContact O-N 2.83Å; S50-S52 PolarHBondContact O-N 3.4Å
51	S	45.2	Very low	48.4	Very low	132 Å²	132	114.9 Å²	114.9	92%	0.923	69%	0.688	S	S	*	*			trans	-43	96.1	140.6	46.8	0	0	0	0	109.4
52	S	36.1	Very low	51.6	Low	75 Å²	75	116.2 Å²	116.2	52%	0.524	68%	0.682	S	S	.	*			trans	-131.4	99.8	165.7	63.7	0	0	0	0	108.9	S50 S54	S50-S52 PolarHBondContact O-N 3.4Å; S52-S54 PolarHBondContact O-N 3.19Å
53	N	40	Very low	54.9	Low	182 Å²	182	114.7 Å²	114.7	97%	0.973	66%	0.658	S	S	*	*			trans	-64	41.6	158.1	-106.1	-10.8	0	0	0	111
54	S	36.8	Very low	58	Low	82 Å²	82	110.9 Å²	110.9	57%	0.573	63%	0.632	S	S	*	*	P	Polyproline II helix	trans	-81.5	129.8	179.5	54.6	0	0	0	0	109	S52	S52-S54 PolarHBondContact O-N 3.19Å
55	P	44.4	Very low	61.1	Low	107 Å²	107	111 Å²	111	70%	0.695	62%	0.615	S	S	*	*	P	Polyproline II helix	trans	-55.5	151.4	172.9	23.7	-32.3	0	0	0	110.2	K57	P55-K57 PolarHBondContact O-N 2.99Å; P55-K57 VanDerWaalsContact O-N 3.12Å
56	P	55.9	Low	63.9	Low	119 Å²	119	104 Å²	104	77%	0.773	59%	0.594	S	S	*	*	P	Polyproline II helix	trans	-51.5	125.1	178.4	20	-31.1	0	0	0	109.5	K58	P56-K58 PolarHBondContact O-N 2.8Å; P56-K58 VanDerWaalsContact O-N 3.08Å
57	K	62.3	Low	67.1	Low	167 Å²	167	97 Å²	97	73%	0.726	57%	0.573	S	S	*	*	P	Polyproline II helix	trans	-56.9	116.8	-176	-155.3	-177.2	-176.6	-164.3	0	108.5	P55	P55-K57 PolarHBondContact O-N 2.99Å; P55-K57 VanDerWaalsContact O-N 3.12Å
58	K	85.6	Confident	70.3	Confident	188 Å²	188	98 Å²	98	82%	0.817	56%	0.558	S	S	*	*	P	Polyproline II helix	trans	-79	123.9	178	-68.7	-177.7	179	179.1	0	108.5	P56	P56-K58 PolarHBondContact O-N 2.8Å; P56-K58 VanDerWaalsContact O-N 3.08Å
59	F	93.1	Very high	73.4	Confident	67 Å²	67	96.3 Å²	96.3	29%	0.294	55%	0.549	S	S	.	.	P	Polyproline II helix	trans	-61.4	144.4	172.5	-76.1	-74.4	0	0	0	111.1	D63 F64 E83 N129 F131 I140	F59-D63 WeakPolarHBondContact CA-OD2 3.37Å; F59-D63 HydrophobicContact CD1-CB 4.22Å; F59-F64 HydrophobicContact CB-CE2 4.33Å; F59-F64 AromaticContact CD1-CE2 3.87Å; F59-F64 HydrophobicContact CD1-CE2 3.87Å; F59-F64 AromaticContact CD1-CZ 3.78Å; F59-F64 HydrophobicContact CD1-CZ 3.78Å; F59-F64 HydrophobicContact CE1-CZ 4.12Å; F59-F64 HydrophobicContact CG-CE2 4.38Å; F59-F64 HydrophobicContact CG-CZ 4.36Å; F59-E83 HydrophobicContact CE1-CG 4.24Å; F59-N129 HydrophobicContact CD2-CB 4.46Å; F59-N129 HydrophobicContact CE2-CB 4.32Å; F59-F131 HydrophobicContact CB-CB 4.08Å; F59-F131 HydrophobicContact CB-CD1 3.59Å; F59-F131 HydrophobicContact CB-CE1 4.15Å; F59-F131 HydrophobicContact CB-CG 3.9Å; F59-F131 WeakPolarHBondContact O-CB 3.45Å; F59-F131 WeakPolarHBondContact O-CG 3.48Å; F59-I140 HydrophobicContact CB-CD1 4.42Å; F59-I140 HydrophobicContact CD2-CD1 3.89Å; F59-I140 HydrophobicContact CE2-CD1 4.26Å; F59-I140 HydrophobicContact CG-CD1 4.04Å
60	T	96.1	Very high	76	Confident	64 Å²	64	93.1 Å²	93.1	39%	0.393	52%	0.522	S	S	.	.			trans	-124	172.5	164.8	76.4	0	0	0	0	110	D62 D63 F64	T60-D62 PolarHBondContact O-N 2.81Å; T60-D62 PolarHBondContact OG1-N 3.12Å; T60-D63 PolarHBondContact N-OD2 2.85Å; T60-D63 WeakPolarHBondContact O-CB 3.37Å; T60-D63 PolarHBondContact O-N 3.44Å; T60-F64 VanDerWaalsContact O-CD2 3.31Å; T60-F64 WeakPolarHBondContact O-CD2 3Å; T60-F64 WeakPolarHBondContact O-CE2 3.22Å
61	I	96.2	Very high	78.6	Confident	45 Å²	45	90.9 Å²	90.9	23%	0.231	51%	0.51	C	S	.	.	G	3₁₀ helix	trans	-63.7	-26.3	176.5	-168.6	57.7	0	0	0	112.3	D63 F64 I66 L92 F131 F138	I61-D63 PolarHBondContact O-N 2.76Å; I61-F64 PolarHBondContact O-N 3.43Å; I61-F64 VanDerWaalsContact O-N 3.14Å; I61-I66 HydrophobicContact CD1-CD1 3.74Å; I61-I66 HydrophobicContact CD1-CG1 4.18Å; I61-L92 HydrophobicContact CD1-CD2 3.63Å; I61-F131 HydrophobicContact CB-CE2 4.37Å; I61-F138 HydrophobicContact CB-CZ 4.42Å; I61-F138 HydrophobicContact CD1-CD1 4.14Å; I61-F138 HydrophobicContact CD1-CE1 3.68Å; I61-F138 HydrophobicContact CD1-CZ 4.37Å; I61-F138 HydrophobicContact CG1-CE1 4.3Å
62	D	96.7	Very high	80.5	Confident	117 Å²	117	93.4 Å²	93.4	63%	0.626	51%	0.505	S	S	*	.	G	3₁₀ helix	trans	-72	-15.6	-178.2	-56.2	-45.1	0	0	0	112.6	T60 F64 K84	T60-D62 PolarHBondContact O-N 2.81Å; T60-D62 PolarHBondContact OG1-N 3.12Å; D62-F64 PolarHBondContact O-N 3.47Å; D62-K84 VanDerWaalsContact O-CD 3.32Å; D62-K84 WeakPolarHBondContact O-CD 3.24Å; D62-K84 WeakPolarHBondContact O-CE 3.47Å; D62-K84 PolarHBondContact O-NZ 2.87Å
63	D	97	Very high	82.5	Confident	40 Å²	40	91.5 Å²	91.5	21%	0.214	50%	0.497	C	S	.	.	G	3₁₀ helix	trans	-74.8	-3.5	172.9	-64	-51.3	0	0	0	112.7	F59 T60 I61 K84	F59-D63 WeakPolarHBondContact CA-OD2 3.37Å; F59-D63 HydrophobicContact CD1-CB 4.22Å; T60-D63 PolarHBondContact N-OD2 2.85Å; T60-D63 WeakPolarHBondContact O-CB 3.37Å; T60-D63 PolarHBondContact O-N 3.44Å; I61-D63 PolarHBondContact O-N 2.76Å; D63-K84 WeakPolarHBondContact O-CB 3.4Å; D63-K84 WeakPolarHBondContact O-CG 3.32Å; D63-K84 PolarHBondContact O-N 3.28Å
64	F	97.9	Very high	84.3	Confident	8 Å²	8	89.5 Å²	89.5	4%	0.035	48%	0.48	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-125.9	137.4	-174.9	-60.1	-91.1	0	0	0	112.7	F59 T60 I61 D62 I66 A81 K82 E83 V90 F131 I140	F59-F64 HydrophobicContact CB-CE2 4.33Å; F59-F64 AromaticContact CD1-CE2 3.87Å; F59-F64 HydrophobicContact CD1-CE2 3.87Å; F59-F64 AromaticContact CD1-CZ 3.78Å; F59-F64 HydrophobicContact CD1-CZ 3.78Å; F59-F64 HydrophobicContact CE1-CZ 4.12Å; F59-F64 HydrophobicContact CG-CE2 4.38Å; F59-F64 HydrophobicContact CG-CZ 4.36Å; T60-F64 VanDerWaalsContact O-CD2 3.31Å; T60-F64 WeakPolarHBondContact O-CD2 3Å; T60-F64 WeakPolarHBondContact O-CE2 3.22Å; I61-F64 PolarHBondContact O-N 3.43Å; I61-F64 VanDerWaalsContact O-N 3.14Å; D62-F64 PolarHBondContact O-N 3.47Å; F64-I66 HydrophobicContact CB-CD1 3.87Å; F64-A81 HydrophobicContact CB-CB 4.4Å; F64-A81 HydrophobicContact CD1-CB 4.39Å; F64-K82 CarbonylContact C-O 3.55Å; F64-K82 WeakPolarHBondContact CA-O 3.5Å; F64-E83 HydrophobicContact CD1-CB 4.1Å; F64-E83 HydrophobicContact CD1-CG 4.45Å; F64-E83 HydrophobicContact CE1-CB 3.86Å; F64-E83 HydrophobicContact CE1-CG 3.92Å; F64-E83 HydrophobicContact CZ-CG 4.32Å; F64-V90 HydrophobicContact CD1-CG2 4.13Å; F64-V90 HydrophobicContact CE1-CG2 4.05Å; F64-F131 HydrophobicContact CD2-CE1 4.28Å; F64-F131 HydrophobicContact CD2-CZ 4.17Å; F64-F131 AromaticContact CE2-CE1 3.6Å; F64-F131 HydrophobicContact CE2-CE1 3.6Å; F64-F131 AromaticContact CE2-CZ 3.93Å; F64-F131 HydrophobicContact CE2-CZ 3.93Å; F64-F131 HydrophobicContact CZ-CE1 4.2Å; F64-I140 HydrophobicContact CE1-CD1 4.43Å; F64-I140 HydrophobicContact CE1-CG1 4.46Å; F64-I140 HydrophobicContact CE1-CG2 4.42Å; F64-I140 HydrophobicContact CE2-CD1 4.31Å; F64-I140 HydrophobicContact CZ-CD1 3.6Å; F64-I140 HydrophobicContact CZ-CG1 3.98Å
65	D	97.9	Very high	86.5	Confident	74 Å²	74	87.3 Å²	87.3	40%	0.396	46%	0.46	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-86	113.4	162.3	-62.1	-44.6	0	0	0	108.5	A81 K82 K84	D65-A81 CarbonylContact O-C 3.35Å; D65-A81 VanDerWaalsContact O-CA 3.24Å; D65-A81 WeakPolarHBondContact O-CA 3.1Å; D65-K82 HydrophobicContact CB-CB 4.27Å; D65-K82 PolarHBondContact N-O 3.28Å; D65-K82 PolarHBondContact O-N 3.28Å; D65-K84 WeakPolarHBondContact OD1-CE 3.46Å; D65-K84 IonicContact OD1-NZ 2.7Å
66	I	97.8	Very high	88.5	Confident	79 Å²	79	82.7 Å²	82.7	41%	0.405	43%	0.432	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.6	119.3	-177.7	-51.6	-55.7	0	0	0	109.5	I61 F64 Y79 A81 L92	I61-I66 HydrophobicContact CD1-CD1 3.74Å; I61-I66 HydrophobicContact CD1-CG1 4.18Å; F64-I66 HydrophobicContact CB-CD1 3.87Å; I66-Y79 HydrophobicContact CG2-CD1 4.02Å; I66-Y79 HydrophobicContact CG2-CG 4.03Å; I66-A81 HydrophobicContact CD1-CB 3.97Å; I66-L92 HydrophobicContact CD1-CD2 3.67Å
67	G	96.8	Very high	90.4	Very high	42 Å²	42	79.3 Å²	79.3	43%	0.433	41%	0.407	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-95.4	-150.4	175.5	0	0	0	0	0	112.7	L80	G67-L80 VanDerWaalsContact CA-O 3.3Å; G67-L80 WeakPolarHBondContact CA-O 2.85Å; G67-L80 PolarHBondContact N-O 2.84Å
68	R	96.3	Very high	91.9	Very high	155 Å²	155	72.9 Å²	72.9	59%	0.585	38%	0.382	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-66.5	151.1	-176.6	67.5	-178.4	179.9	130.9	-1.4	112.9	L80	R68-L80 HydrophobicContact CG-CB 4.3Å; R68-L80 HydrophobicContact CG-CD2 4.4Å; R68-L80 PolarHBondContact O-N 3.45Å
69	P	96.3	Very high	92.5	Very high	88 Å²	88	67 Å²	67	57%	0.571	36%	0.355	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-62.7	139.8	167.4	28	-34.5	0	0	0	110.6	Y79	P69-Y79 HydrophobicContact CB-CD1 4.26Å; P69-Y79 HydrophobicContact CB-CE1 4.21Å
70	L	93.4	Very high	92.7	Very high	52 Å²	52	65.6 Å²	65.6	27%	0.272	35%	0.35	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-101.9	-32.6	176.5	-66	176.7	0	0	0	112	V78 L80 A91 Y143	L70-V78 HydrophobicContact CB-CB 4.41Å; L70-V78 HydrophobicContact CB-CG1 4.28Å; L70-V78 HydrophobicContact CD1-CG1 4.3Å; L70-V78 PolarHBondContact N-O 2.85Å; L70-L80 HydrophobicContact CD1-CB 4.13Å; L70-L80 HydrophobicContact CD2-CB 4.08Å; L70-L80 HydrophobicContact CG-CB 4.08Å; L70-A91 HydrophobicContact CD1-CB 4.06Å; L70-Y143 HydrophobicContact CD1-CD2 3.72Å; L70-Y143 HydrophobicContact CD1-CE2 3.69Å; L70-Y143 HydrophobicContact CD2-CE2 3.75Å; L70-Y143 HydrophobicContact CG-CE2 4.4Å
71	G	88.6	Confident	92.8	Very high	25 Å²	25	62.7 Å²	62.7	26%	0.258	33%	0.333	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-174.5	166.6	-178.9	0	0	0	0	0	112.6	V78	G71-V78 PolarHBondContact N-O 2.83Å; G71-V78 PolarHBondContact O-N 2.84Å
72	K	85.9	Confident	92.9	Very high	186 Å²	186	64.1 Å²	64.1	81%	0.809	34%	0.337	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-114.2	117.1	175.8	-177.5	173.9	-178.5	-175.8	0	108.4
73	G	77.9	Confident	92.9	Very high	35 Å²	35	59.4 Å²	59.4	36%	0.361	31%	0.311	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-92.1	176.6	171.1	0	0	0	0	0	111.5	F75 G76	G73-F75 VanDerWaalsContact C-N 3.31Å; G73-F75 PolarHBondContact O-N 3.34Å; G73-G76 CarbonylContact C-O 3.57Å; G73-G76 WeakPolarHBondContact CA-O 3.5Å; G73-G76 PolarHBondContact N-O 3.4Å; G73-G76 VanDerWaalsContact O-O 3.07Å
74	K	77.8	Confident	92.9	Very high	139 Å²	139	61.8 Å²	61.8	60%	0.604	32%	0.32	S	S	*	.	T	Hydrogen-bonded Turn	trans	-58.6	-40.8	179.6	-172.1	175.9	179.1	-149.9	0	113	Q99 E103	K74-Q99 PolarHBondContact O-NE2 3.06Å; K74-E103 WeakPolarHBondContact CE-OE2 3.37Å; K74-E103 IonicContact NZ-OE2 2.77Å; K74-E103 PolarHBondContact NZ-OE2 2.85Å
75	F	82.1	Confident	92.7	Very high	37 Å²	37	68.3 Å²	68.3	16%	0.162	35%	0.348	C	S	.	.	T	Hydrogen-bonded Turn	trans	-109.1	9.5	-171.5	-51.8	-74.8	0	0	0	114.5	G73 L95 F96 Q99 E103 V105	G73-F75 VanDerWaalsContact C-N 3.31Å; G73-F75 PolarHBondContact O-N 3.34Å; F75-L95 HydrophobicContact CB-CD2 3.86Å; F75-L95 WeakPolarHBondContact O-CA 3.38Å; F75-F96 PolarHBondContact O-N 3.08Å; F75-F96 VanDerWaalsContact O-N 3.13Å; F75-Q99 HydrophobicContact CD1-CG 4.25Å; F75-E103 HydrophobicContact CE1-CB 4.09Å; F75-E103 HydrophobicContact CE1-CG 4.27Å; F75-E103 WeakPolarHBondContact CE1-OE2 3.32Å; F75-V105 HydrophobicContact CD1-CG2 4.14Å; F75-V105 HydrophobicContact CE1-CB 4.44Å; F75-V105 HydrophobicContact CE1-CG1 4.34Å; F75-V105 HydrophobicContact CE1-CG2 3.46Å; F75-V105 VanDerWaalsContact CE1-CG2 3.46Å; F75-V105 HydrophobicContact CE2-CG2 4.22Å; F75-V105 HydrophobicContact CZ-CB 4.1Å; F75-V105 HydrophobicContact CZ-CG1 3.91Å; F75-V105 HydrophobicContact CZ-CG2 3.52Å
76	G	88.1	Confident	92.5	Very high	10 Å²	10	70.3 Å²	70.3	10%	0.103	36%	0.355	C	S	.	.	E	Extended strand (participates in β ladder)	trans	155.4	-159.3	179.9	0	0	0	0	0	113.4	G73 V94	G73-G76 CarbonylContact C-O 3.57Å; G73-G76 WeakPolarHBondContact CA-O 3.5Å; G73-G76 PolarHBondContact N-O 3.4Å; G73-G76 VanDerWaalsContact O-O 3.07Å; G76-V94 CarbonylContact C-O 3.57Å; G76-V94 VanDerWaalsContact CA-O 3.27Å; G76-V94 WeakPolarHBondContact CA-O 3.28Å
77	N	93.9	Very high	92.3	Very high	47 Å²	47	71.2 Å²	71.2	25%	0.251	36%	0.357	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.8	154.1	-169.4	-62.9	-40.9	0	0	0	111.3	Y79 V94	N77-Y79 HydrophobicContact CB-CD2 4.28Å; N77-Y79 HydrophobicContact CB-CE2 3.46Å; N77-Y79 VanDerWaalsContact CB-CE2 3.46Å; N77-Y79 PolarHBondContact ND2-OH 3.14Å; N77-Y79 VanDerWaalsContact ND2-OH 3.15Å; N77-V94 PolarHBondContact N-O 3.04Å; N77-V94 PolarHBondContact O-N 2.84Å
78	V	95.4	Very high	92.2	Very high	32 Å²	32	74 Å²	74	19%	0.194	36%	0.358	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-107.5	131.5	171.5	-171.8	0	0	0	0	108.4	L70 G71 A91 L92 K93	L70-V78 HydrophobicContact CB-CB 4.41Å; L70-V78 HydrophobicContact CB-CG1 4.28Å; L70-V78 HydrophobicContact CD1-CG1 4.3Å; L70-V78 PolarHBondContact N-O 2.85Å; G71-V78 PolarHBondContact N-O 2.83Å; G71-V78 PolarHBondContact O-N 2.84Å; V78-A91 HydrophobicContact CG1-CB 4.01Å; V78-L92 WeakPolarHBondContact CA-O 3.37Å; V78-K93 HydrophobicContact CG2-CB 4.09Å; V78-K93 HydrophobicContact CG2-CD 4.43Å; V78-K93 HydrophobicContact CG2-CG 4.04Å
79	Y	97.6	Very high	92.2	Very high	64 Å²	64	70.9 Å²	70.9	25%	0.251	35%	0.352	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	145.3	179.4	-61.5	-91.9	0	0	0	110.7	I66 P69 N77 A91 L92 V94	I66-Y79 HydrophobicContact CG2-CD1 4.02Å; I66-Y79 HydrophobicContact CG2-CG 4.03Å; P69-Y79 HydrophobicContact CB-CD1 4.26Å; P69-Y79 HydrophobicContact CB-CE1 4.21Å; N77-Y79 HydrophobicContact CB-CD2 4.28Å; N77-Y79 HydrophobicContact CB-CE2 3.46Å; N77-Y79 VanDerWaalsContact CB-CE2 3.46Å; N77-Y79 PolarHBondContact ND2-OH 3.14Å; N77-Y79 VanDerWaalsContact ND2-OH 3.15Å; Y79-A91 CarbonylContact O-C 3.57Å; Y79-A91 WeakPolarHBondContact O-CA 3.48Å; Y79-L92 PolarHBondContact N-O 2.9Å; Y79-L92 PolarHBondContact O-N 2.76Å; Y79-V94 HydrophobicContact CD2-CG2 3.86Å; Y79-V94 HydrophobicContact CE2-CB 4.44Å; Y79-V94 HydrophobicContact CE2-CG2 3.98Å
80	L	97.9	Very high	92.3	Very high	38 Å²	38	66.8 Å²	66.8	20%	0.199	33%	0.325	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-67.5	132.2	160.8	-177.4	63.6	0	0	0	107.1	G67 R68 L70 I89 Y143	G67-L80 VanDerWaalsContact CA-O 3.3Å; G67-L80 WeakPolarHBondContact CA-O 2.85Å; G67-L80 PolarHBondContact N-O 2.84Å; R68-L80 HydrophobicContact CG-CB 4.3Å; R68-L80 HydrophobicContact CG-CD2 4.4Å; R68-L80 PolarHBondContact O-N 3.45Å; L70-L80 HydrophobicContact CD1-CB 4.13Å; L70-L80 HydrophobicContact CD2-CB 4.08Å; L70-L80 HydrophobicContact CG-CB 4.08Å; L80-I89 HydrophobicContact CD1-CG2 3.5Å; L80-I89 VanDerWaalsContact CD1-CG2 3.5Å; L80-Y143 HydrophobicContact CD1-CD1 3.85Å; L80-Y143 HydrophobicContact CD1-CD2 3.83Å; L80-Y143 HydrophobicContact CD1-CE1 3.82Å; L80-Y143 HydrophobicContact CD1-CE2 3.86Å; L80-Y143 HydrophobicContact CD1-CG 3.84Å
81	A	98.1	Very high	92.5	Very high	3 Å²	3	64.7 Å²	64.7	3%	0.025	32%	0.315	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-140.2	157.4	177.4	0	0	0	0	0	111	F64 D65 I66 V90 L92	F64-A81 HydrophobicContact CB-CB 4.4Å; F64-A81 HydrophobicContact CD1-CB 4.39Å; D65-A81 CarbonylContact O-C 3.35Å; D65-A81 VanDerWaalsContact O-CA 3.24Å; D65-A81 WeakPolarHBondContact O-CA 3.1Å; I66-A81 HydrophobicContact CD1-CB 3.97Å; A81-V90 HydrophobicContact CB-CG2 3.99Å; A81-V90 PolarHBondContact N-O 3.27Å; A81-V90 PolarHBondContact O-N 2.75Å; A81-V90 VanDerWaalsContact O-O 3.11Å; A81-L92 HydrophobicContact CB-CB 4.06Å
82	K	98.1	Very high	92.9	Very high	75 Å²	75	63.5 Å²	63.5	33%	0.326	30%	0.303	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-121.2	122.1	173.8	-166.1	-176.1	-166.5	-174.1	0	109.3	F64 D65 K84 Q87 F88	F64-K82 CarbonylContact C-O 3.55Å; F64-K82 WeakPolarHBondContact CA-O 3.5Å; D65-K82 HydrophobicContact CB-CB 4.27Å; D65-K82 PolarHBondContact N-O 3.28Å; D65-K82 PolarHBondContact O-N 3.28Å; K82-K84 PolarHBondContact O-N 3.29Å; K82-Q87 WeakPolarHBondContact CE-O 3.4Å; K82-F88 CarbonylContact C-O 3.58Å; K82-F88 WeakPolarHBondContact CA-O 3.33Å
83	E	97	Very high	93.4	Very high	18 Å²	18	56.4 Å²	56.4	8%	0.084	27%	0.272	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-71.2	124.1	174.7	-168.6	-80.3	129.8	0	0	109.3	F59 F64 K85 H86 Q87 F88	F59-E83 HydrophobicContact CE1-CG 4.24Å; F64-E83 HydrophobicContact CD1-CB 4.1Å; F64-E83 HydrophobicContact CD1-CG 4.45Å; F64-E83 HydrophobicContact CE1-CB 3.86Å; F64-E83 HydrophobicContact CE1-CG 3.92Å; F64-E83 HydrophobicContact CZ-CG 4.32Å; E83-K85 PolarHBondContact O-N 3.5Å; E83-K85 WeakPolarHBondContact OE1-CA 3.31Å; E83-K85 WeakPolarHBondContact OE1-CB 3.41Å; E83-K85 PolarHBondContact OE1-N 2.94Å; E83-H86 WeakPolarHBondContact OE2-CB 3.48Å; E83-H86 IonicContact OE2-CE1 3.97Å; E83-H86 IonicContact OE2-CG 3.46Å; E83-H86 PolarHBondContact OE2-N 3.46Å; E83-H86 IonicContact OE2-ND1 2.81Å; E83-H86 PolarHBondContact OE2-ND1 3.48Å; E83-Q87 WeakPolarHBondContact O-CA 3.46Å; E83-Q87 PolarHBondContact O-N 3.28Å; E83-F88 PolarHBondContact N-O 3.36Å; E83-F88 PolarHBondContact O-N 3.34Å
84	K	96.3	Very high	94.2	Very high	91 Å²	91	55.3 Å²	55.3	40%	0.396	26%	0.259	S	S	.	.	T	Hydrogen-bonded Turn	trans	-68.4	-33.7	-167.3	-73.7	176.6	179.5	167.7	0	113.7	D62 D63 D65 K82 Q87	D62-K84 VanDerWaalsContact O-CD 3.32Å; D62-K84 WeakPolarHBondContact O-CD 3.24Å; D62-K84 WeakPolarHBondContact O-CE 3.47Å; D62-K84 PolarHBondContact O-NZ 2.87Å; D63-K84 WeakPolarHBondContact O-CB 3.4Å; D63-K84 WeakPolarHBondContact O-CG 3.32Å; D63-K84 PolarHBondContact O-N 3.28Å; D65-K84 WeakPolarHBondContact OD1-CE 3.46Å; D65-K84 IonicContact OD1-NZ 2.7Å; K82-K84 PolarHBondContact O-N 3.29Å; K84-Q87 PolarHBondContact O-NE2 2.84Å
85	K	93.6	Very high	95	Very high	144 Å²	144	49 Å²	49	63%	0.626	23%	0.232	S	C	*	.	T	Hydrogen-bonded Turn	trans	-72.4	-48	-174.4	-175.3	178.5	166.6	-175.9	0	112.5	E83	E83-K85 PolarHBondContact O-N 3.5Å; E83-K85 WeakPolarHBondContact OE1-CA 3.31Å; E83-K85 WeakPolarHBondContact OE1-CB 3.41Å; E83-K85 PolarHBondContact OE1-N 2.94Å
86	H	92.9	Very high	95.6	Very high	117 Å²	117	51.2 Å²	51.2	54%	0.542	24%	0.241	S	C	.	.	T	Hydrogen-bonded Turn	trans	-106.4	2.6	-176.5	-48.8	90.1	0	0	0	112.6	E83 F88	E83-H86 WeakPolarHBondContact OE2-CB 3.48Å; E83-H86 IonicContact OE2-CE1 3.97Å; E83-H86 IonicContact OE2-CG 3.46Å; E83-H86 PolarHBondContact OE2-N 3.46Å; E83-H86 IonicContact OE2-ND1 2.81Å; E83-H86 PolarHBondContact OE2-ND1 3.48Å; H86-F88 PolarHBondContact O-N 3.34Å
87	Q	94.6	Very high	95.8	Very high	97 Å²	97	53 Å²	53	45%	0.453	25%	0.246	S	C	.	.	T	Hydrogen-bonded Turn	trans	59.8	27.6	178.4	-62.3	-68.5	-63.7	0	0	112.6	K82 E83 K84	K82-Q87 WeakPolarHBondContact CE-O 3.4Å; E83-Q87 WeakPolarHBondContact O-CA 3.46Å; E83-Q87 PolarHBondContact O-N 3.28Å; K84-Q87 PolarHBondContact O-NE2 2.84Å
88	F	94.3	Very high	95.8	Very high	102 Å²	102	54.8 Å²	54.8	45%	0.447	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-85.1	132	-174.3	-168.6	-111.6	0	0	0	111.5	K82 E83 H86 V90 Y128	K82-F88 CarbonylContact C-O 3.58Å; K82-F88 WeakPolarHBondContact CA-O 3.33Å; E83-F88 PolarHBondContact N-O 3.36Å; E83-F88 PolarHBondContact O-N 3.34Å; H86-F88 PolarHBondContact O-N 3.34Å; F88-V90 HydrophobicContact CD1-CG1 3.5Å; F88-V90 VanDerWaalsContact CD1-CG1 3.5Å; F88-V90 HydrophobicContact CE1-CG1 3.84Å; F88-Y128 HydrophobicContact CE1-CE1 4.35Å; F88-Y128 AromaticContact CE1-CE2 3.73Å; F88-Y128 HydrophobicContact CE1-CE2 3.73Å; F88-Y128 AromaticContact CE1-CZ 3.63Å
89	I	97.2	Very high	95.5	Very high	88 Å²	88	56 Å²	56	45%	0.451	27%	0.266	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-83.3	129.1	179.6	-60.8	176.7	0	0	0	109.6	L80 Y143	L80-I89 HydrophobicContact CD1-CG2 3.5Å; L80-I89 VanDerWaalsContact CD1-CG2 3.5Å; I89-Y143 HydrophobicContact CG2-CD1 3.68Å; I89-Y143 HydrophobicContact CG2-CE1 4.41Å; I89-Y143 HydrophobicContact CG2-CG 4.13Å
90	V	97.6	Very high	95	Very high	3 Å²	3	53.6 Å²	53.6	2%	0.018	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-136.9	164.2	-178.2	-61.5	0	0	0	0	111.2	F64 A81 F88 Y128 I140 L141	F64-V90 HydrophobicContact CD1-CG2 4.13Å; F64-V90 HydrophobicContact CE1-CG2 4.05Å; A81-V90 HydrophobicContact CB-CG2 3.99Å; A81-V90 PolarHBondContact N-O 3.27Å; A81-V90 PolarHBondContact O-N 2.75Å; A81-V90 VanDerWaalsContact O-O 3.11Å; F88-V90 HydrophobicContact CD1-CG1 3.5Å; F88-V90 VanDerWaalsContact CD1-CG1 3.5Å; F88-V90 HydrophobicContact CE1-CG1 3.84Å; V90-Y128 HydrophobicContact CG1-CD2 4.26Å; V90-Y128 HydrophobicContact CG1-CE2 4.22Å; V90-I140 HydrophobicContact CB-CG2 4.11Å; V90-I140 HydrophobicContact CG1-CG2 3.98Å; V90-I140 HydrophobicContact CG2-CG2 4.18Å; V90-L141 WeakPolarHBondContact CB-O 2.9Å
91	A	97.9	Very high	94.6	Very high	7 Å²	7	57.3 Å²	57.3	6%	0.058	27%	0.273	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.3	127.5	162.5	0	0	0	0	0	109.1	L70 V78 Y79 L141	L70-A91 HydrophobicContact CD1-CB 4.06Å; V78-A91 HydrophobicContact CG1-CB 4.01Å; Y79-A91 CarbonylContact O-C 3.57Å; Y79-A91 WeakPolarHBondContact O-CA 3.48Å; A91-L141 HydrophobicContact CB-CB 4.28Å; A91-L141 PolarHBondContact N-O 3.06Å; A91-L141 PolarHBondContact O-N 3.48Å
92	L	97.3	Very high	94.1	Very high	1 Å²	1	66.2 Å²	66.2	1%	0.005	31%	0.311	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-106.8	104.3	178.1	-162.4	70.1	0	0	0	109.5	I61 I66 V78 Y79 A81 V94 F131 F138 L139 I140	I61-L92 HydrophobicContact CD1-CD2 3.63Å; I66-L92 HydrophobicContact CD1-CD2 3.67Å; V78-L92 WeakPolarHBondContact CA-O 3.37Å; Y79-L92 PolarHBondContact N-O 2.9Å; Y79-L92 PolarHBondContact O-N 2.76Å; A81-L92 HydrophobicContact CB-CB 4.06Å; L92-V94 HydrophobicContact CG-CG2 4.48Å; L92-F131 HydrophobicContact CD1-CE1 3.98Å; L92-F131 HydrophobicContact CD1-CZ 4.27Å; L92-F138 HydrophobicContact CD1-CB 4.18Å; L92-F138 HydrophobicContact CD2-CD1 3.93Å; L92-F138 HydrophobicContact CG-CD1 4.21Å; L92-L139 WeakPolarHBondContact CA-O 3.43Å; L92-I140 HydrophobicContact CD1-CG1 3.8Å
93	K	95.5	Very high	93.5	Very high	37 Å²	37	66.1 Å²	66.1	16%	0.161	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-86.5	113.9	176.1	179.9	170.1	171.8	-168.8	0	108.6	V78 L95 E112 F138 L139 L141	V78-K93 HydrophobicContact CG2-CB 4.09Å; V78-K93 HydrophobicContact CG2-CD 4.43Å; V78-K93 HydrophobicContact CG2-CG 4.04Å; K93-L95 HydrophobicContact CG-CD2 4.12Å; K93-L95 HydrophobicContact CG-CG 4.37Å; K93-E112 IonicContact NZ-OE1 3.89Å; K93-E112 PolarHBondContact NZ-OE1 2.98Å; K93-F138 WeakPolarHBondContact O-CA 3.18Å; K93-L139 HydrophobicContact CB-CB 4.2Å; K93-L139 HydrophobicContact CD-CD1 4.14Å; K93-L139 HydrophobicContact CG-CD1 4.48Å; K93-L139 PolarHBondContact N-O 2.87Å; K93-L139 PolarHBondContact O-N 2.78Å; K93-L141 HydrophobicContact CB-CD1 4.02Å; K93-L141 HydrophobicContact CD-CD1 4.24Å
94	V	95.8	Very high	92.9	Very high	12 Å²	12	68 Å²	68	7%	0.073	34%	0.337	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.9	122.1	-176.7	-173.1	0	0	0	0	108.9	G76 N77 Y79 L92 R136 F138	G76-V94 CarbonylContact C-O 3.57Å; G76-V94 VanDerWaalsContact CA-O 3.27Å; G76-V94 WeakPolarHBondContact CA-O 3.28Å; N77-V94 PolarHBondContact N-O 3.04Å; N77-V94 PolarHBondContact O-N 2.84Å; Y79-V94 HydrophobicContact CD2-CG2 3.86Å; Y79-V94 HydrophobicContact CE2-CB 4.44Å; Y79-V94 HydrophobicContact CE2-CG2 3.98Å; L92-V94 HydrophobicContact CG-CG2 4.48Å; V94-R136 HydrophobicContact CG1-CB 4.22Å; V94-R136 HydrophobicContact CG1-CG 4.16Å; V94-F138 HydrophobicContact CB-CD1 4.43Å; V94-F138 HydrophobicContact CG1-CD1 4.18Å; V94-F138 HydrophobicContact CG1-CE1 3.88Å; V94-F138 HydrophobicContact CG1-CZ 4.48Å; V94-F138 HydrophobicContact CG2-CD1 3.79Å; V94-F138 HydrophobicContact CG2-CE1 3.94Å
95	L	94.1	Very high	92.3	Very high	7 Å²	7	64.6 Å²	64.6	4%	0.037	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-119.1	135.2	-177	-54.8	168.5	0	0	0	109.8	F75 K93 M100 L109 R136 V137 L139	F75-L95 HydrophobicContact CB-CD2 3.86Å; F75-L95 WeakPolarHBondContact O-CA 3.38Å; K93-L95 HydrophobicContact CG-CD2 4.12Å; K93-L95 HydrophobicContact CG-CG 4.37Å; L95-M100 HydrophobicContact CB-SD 4.15Å; L95-L109 HydrophobicContact CD1-CD1 3.47Å; L95-L109 VanDerWaalsContact CD1-CD1 3.47Å; L95-L109 HydrophobicContact CD1-CD2 3.69Å; L95-L109 HydrophobicContact CD1-CG 4.24Å; L95-R136 CarbonylContact O-C 3.4Å; L95-R136 WeakPolarHBondContact O-CA 3.3Å; L95-V137 HydrophobicContact CB-CB 4.39Å; L95-V137 PolarHBondContact N-O 2.77Å; L95-V137 PolarHBondContact O-N 2.76Å; L95-L139 HydrophobicContact CD1-CD1 4.09Å; L95-L139 HydrophobicContact CD1-CG 4.25Å
96	F	94.1	Very high	91.9	Very high	82 Å²	82	60.4 Å²	60.4	36%	0.36	31%	0.306	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-89.7	124.5	179.3	-67.6	-83.5	0	0	0	111.7	F75 S98 Q99 M100 R136	F75-F96 PolarHBondContact O-N 3.08Å; F75-F96 VanDerWaalsContact O-N 3.13Å; F96-S98 PolarHBondContact O-N 3.09Å; F96-Q99 HydrophobicContact CB-CB 4.21Å; F96-Q99 PolarHBondContact O-N 2.74Å; F96-M100 WeakPolarHBondContact O-CG 3.43Å; F96-M100 PolarHBondContact O-N 2.65Å; F96-M100 VanDerWaalsContact O-N 3.14Å; F96-R136 HydrophobicContact CD1-CG 3.93Å; F96-R136 HydrophobicContact CE1-CG 4.02Å
97	K	93.5	Very high	91.5	Very high	49 Å²	49	61.3 Å²	61.3	21%	0.213	31%	0.31	C	S	.	.	H	α-helix	trans	-60.4	-44.6	-178.1	-69.6	-179.8	172.7	-177.9	0	112.5	Q99 M100 E101 H132 D133 K135 V137	K97-Q99 VanDerWaalsContact C-N 3.26Å; K97-Q99 PolarHBondContact O-N 2.75Å; K97-M100 PolarHBondContact O-N 2.9Å; K97-M100 VanDerWaalsContact O-N 3.13Å; K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 2.85Å; K97-H132 PolarHBondContact NZ-ND1 2.97Å; K97-D133 WeakPolarHBondContact CE-O 3.47Å; K97-D133 PolarHBondContact NZ-O 2.84Å; K97-K135 WeakPolarHBondContact CB-O 3.43Å; K97-K135 PolarHBondContact N-O 3.3Å; K97-V137 HydrophobicContact CG-CG2 4.11Å
98	S	92.3	Very high	90.8	Very high	83 Å²	83	59.3 Å²	59.3	58%	0.58	30%	0.301	S	S	*	.	H	α-helix	trans	-59.8	-35.4	178.4	54.2	0	0	0	0	113.3	F96 K102	F96-S98 PolarHBondContact O-N 3.09Å; S98-K102 WeakPolarHBondContact O-CB 3.3Å; S98-K102 PolarHBondContact O-N 3.23Å; S98-K102 VanDerWaalsContact O-N 3.14Å
99	Q	89.3	Confident	90.4	Very high	58 Å²	58	55.2 Å²	55.2	27%	0.271	28%	0.283	S	S	.	.	H	α-helix	trans	-73.1	-40.5	177.3	-167.7	-177.4	-13.7	0	0	111.1	K74 F75 F96 K97 K102 E103	K74-Q99 PolarHBondContact O-NE2 3.06Å; F75-Q99 HydrophobicContact CD1-CG 4.25Å; F96-Q99 HydrophobicContact CB-CB 4.21Å; F96-Q99 PolarHBondContact O-N 2.74Å; K97-Q99 VanDerWaalsContact C-N 3.26Å; K97-Q99 PolarHBondContact O-N 2.75Å; Q99-K102 PolarHBondContact O-N 2.99Å; Q99-E103 PolarHBondContact NE2-OE1 2.84Å; Q99-E103 VanDerWaalsContact NE2-OE1 3.07Å; Q99-E103 PolarHBondContact O-N 2.72Å
100	M	86.8	Confident	89.9	Confident	13 Å²	13	57.8 Å²	57.8	6%	0.064	29%	0.288	C	S	.	.	H	α-helix	trans	-65	-41.5	176.9	-68.4	169.8	41.6	0	0	112.9	L95 F96 K97 E103 G104 V105 E106 L109	L95-M100 HydrophobicContact CB-SD 4.15Å; F96-M100 WeakPolarHBondContact O-CG 3.43Å; F96-M100 PolarHBondContact O-N 2.65Å; F96-M100 VanDerWaalsContact O-N 3.14Å; K97-M100 PolarHBondContact O-N 2.9Å; K97-M100 VanDerWaalsContact O-N 3.13Å; M100-E103 PolarHBondContact O-N 2.86Å; M100-G104 PolarHBondContact O-N 3.34Å; M100-V105 HydrophobicContact CB-CG2 4Å; M100-V105 HydrophobicContact CG-CG2 4.14Å; M100-V105 PolarHBondContact O-N 3.15Å; M100-V105 VanDerWaalsContact O-N 3.1Å; M100-E106 HydrophobicContact CE-CB 4.45Å; M100-E106 HydrophobicContact CE-CG 4.13Å; M100-L109 HydrophobicContact CE-CB 3.99Å; M100-L109 HydrophobicContact CE-CD2 3.34Å; M100-L109 HydrophobicContact CE-CG 4.29Å; M100-L109 HydrophobicContact SD-CD2 3.55Å; M100-L109 VanDerWaalsContact SD-CD2 3.55Å
101	E	89.6	Confident	89.2	Confident	117 Å²	117	63.3 Å²	63.3	55%	0.547	31%	0.308	S	S	.	.	H	α-helix	trans	-60.5	-48.5	175.1	-78.7	165.6	-157	0	0	110.4	K97 E103 G104 E106	K97-E101 WeakPolarHBondContact O-CG 3.45Å; K97-E101 PolarHBondContact O-N 2.85Å; E101-E103 VanDerWaalsContact C-N 3.29Å; E101-E103 PolarHBondContact O-N 2.8Å; E101-G104 PolarHBondContact O-N 3.44Å; E101-G104 VanDerWaalsContact O-N 3.15Å; E101-E106 WeakPolarHBondContact CG-OE1 3.33Å
102	K	88.9	Confident	88.7	Confident	189 Å²	189	63.7 Å²	63.7	82%	0.822	31%	0.309	S	S	*	.	H	α-helix	trans	-59.2	-38.3	178.4	-175.9	-179.4	178.3	-176.8	0	112.9	S98 Q99	S98-K102 WeakPolarHBondContact O-CB 3.3Å; S98-K102 PolarHBondContact O-N 3.23Å; S98-K102 VanDerWaalsContact O-N 3.14Å; Q99-K102 PolarHBondContact O-N 2.99Å
103	E	85.2	Confident	88.3	Confident	73 Å²	73	64.6 Å²	64.6	34%	0.341	31%	0.313	S	S	.	.	H	α-helix	trans	-90.3	-4.3	-179.8	-67.1	-170.6	-138.3	0	0	113.6	K74 F75 Q99 M100 E101 V105	K74-E103 WeakPolarHBondContact CE-OE2 3.37Å; K74-E103 IonicContact NZ-OE2 2.77Å; K74-E103 PolarHBondContact NZ-OE2 2.85Å; F75-E103 HydrophobicContact CE1-CB 4.09Å; F75-E103 HydrophobicContact CE1-CG 4.27Å; F75-E103 WeakPolarHBondContact CE1-OE2 3.32Å; Q99-E103 PolarHBondContact NE2-OE1 2.84Å; Q99-E103 VanDerWaalsContact NE2-OE1 3.07Å; Q99-E103 PolarHBondContact O-N 2.72Å; M100-E103 PolarHBondContact O-N 2.86Å; E101-E103 VanDerWaalsContact C-N 3.29Å; E101-E103 PolarHBondContact O-N 2.8Å; E103-V105 VanDerWaalsContact C-N 3.31Å; E103-V105 HydrophobicContact CB-CG1 4.21Å; E103-V105 HydrophobicContact CB-CG2 4.29Å; E103-V105 PolarHBondContact O-N 3.15Å
104	G	84.7	Confident	88	Confident	59 Å²	59	68.9 Å²	68.9	61%	0.608	33%	0.334	S	S	*	.	T	Hydrogen-bonded Turn	trans	68	23.9	178.4	0	0	0	0	0	114.9	M100 E101	M100-G104 PolarHBondContact O-N 3.34Å; E101-G104 PolarHBondContact O-N 3.44Å; E101-G104 VanDerWaalsContact O-N 3.15Å
105	V	83.2	Confident	87.6	Confident	19 Å²	19	69 Å²	69	12%	0.115	33%	0.334	C	S	.	.			trans	-99.9	10.5	-170.8	-65.1	0	0	0	0	114.7	F75 M100 E103 H107 Q108 L109	F75-V105 HydrophobicContact CD1-CG2 4.14Å; F75-V105 HydrophobicContact CE1-CB 4.44Å; F75-V105 HydrophobicContact CE1-CG1 4.34Å; F75-V105 HydrophobicContact CE1-CG2 3.46Å; F75-V105 VanDerWaalsContact CE1-CG2 3.46Å; F75-V105 HydrophobicContact CE2-CG2 4.22Å; F75-V105 HydrophobicContact CZ-CB 4.1Å; F75-V105 HydrophobicContact CZ-CG1 3.91Å; F75-V105 HydrophobicContact CZ-CG2 3.52Å; M100-V105 HydrophobicContact CB-CG2 4Å; M100-V105 HydrophobicContact CG-CG2 4.14Å; M100-V105 PolarHBondContact O-N 3.15Å; M100-V105 VanDerWaalsContact O-N 3.1Å; E103-V105 VanDerWaalsContact C-N 3.31Å; E103-V105 HydrophobicContact CB-CG1 4.21Å; E103-V105 HydrophobicContact CB-CG2 4.29Å; E103-V105 PolarHBondContact O-N 3.15Å; V105-H107 VanDerWaalsContact C-N 3.27Å; V105-H107 PolarHBondContact O-N 3.14Å; V105-Q108 HydrophobicContact CB-CB 4.39Å; V105-Q108 WeakPolarHBondContact O-CB 3.45Å; V105-Q108 PolarHBondContact O-N 3.33Å; V105-L109 PolarHBondContact O-N 2.88Å; V105-L109 VanDerWaalsContact O-N 3.07Å
106	E	86	Confident	87.4	Confident	56 Å²	56	68.7 Å²	68.7	26%	0.262	33%	0.332	S	S	.	.	H	α-helix	trans	-56.2	-41.6	-179.3	-66	-174.8	-171.3	0	0	113.4	M100 E101 Q108 L109 R110	M100-E106 HydrophobicContact CE-CB 4.45Å; M100-E106 HydrophobicContact CE-CG 4.13Å; E101-E106 WeakPolarHBondContact CG-OE1 3.33Å; E106-Q108 VanDerWaalsContact C-N 3.26Å; E106-Q108 PolarHBondContact O-N 2.83Å; E106-L109 PolarHBondContact O-N 2.96Å; E106-R110 WeakPolarHBondContact O-CG 3.23Å; E106-R110 PolarHBondContact O-N 2.8Å; E106-R110 IonicContact OE2-CZ 3.73Å; E106-R110 IonicContact OE2-NH2 2.74Å; E106-R110 PolarHBondContact OE2-NH2 2.74Å
107	H	82.9	Confident	87.3	Confident	135 Å²	135	66.6 Å²	66.6	63%	0.625	33%	0.328	S	S	*	.	H	α-helix	trans	-65.5	-32.8	178.6	-67	-70.5	0	0	0	112	V105 R111	V105-H107 VanDerWaalsContact C-N 3.27Å; V105-H107 PolarHBondContact O-N 3.14Å; H107-R111 WeakPolarHBondContact O-CB 3.14Å; H107-R111 PolarHBondContact O-N 2.9Å; H107-R111 VanDerWaalsContact O-N 3.14Å
108	Q	80.2	Confident	87.2	Confident	56 Å²	56	70.2 Å²	70.2	26%	0.262	35%	0.345	S	S	.	.	H	α-helix	trans	-67.8	-45.3	175.5	-170.6	177.1	4.2	0	0	110.5	V105 E106 R111 E112 G207	V105-Q108 HydrophobicContact CB-CB 4.39Å; V105-Q108 WeakPolarHBondContact O-CB 3.45Å; V105-Q108 PolarHBondContact O-N 3.33Å; E106-Q108 VanDerWaalsContact C-N 3.26Å; E106-Q108 PolarHBondContact O-N 2.83Å; Q108-R111 WeakPolarHBondContact O-CB 3.15Å; Q108-R111 PolarHBondContact O-N 3.5Å; Q108-E112 PolarHBondContact O-N 3.12Å; Q108-G207 WeakPolarHBondContact CG-O 3.49Å; Q108-G207 PolarHBondContact NE2-O 2.84Å
109	L	85.9	Confident	87.3	Confident	15 Å²	15	66.6 Å²	66.6	8%	0.079	32%	0.319	C	S	.	.	H	α-helix	trans	-63.4	-44.5	176.4	-179.9	63.9	0	0	0	112.3	L95 M100 V105 E106 R111 E112 I113 V137 L139	L95-L109 HydrophobicContact CD1-CD1 3.47Å; L95-L109 VanDerWaalsContact CD1-CD1 3.47Å; L95-L109 HydrophobicContact CD1-CD2 3.69Å; L95-L109 HydrophobicContact CD1-CG 4.24Å; M100-L109 HydrophobicContact CE-CB 3.99Å; M100-L109 HydrophobicContact CE-CD2 3.34Å; M100-L109 HydrophobicContact CE-CG 4.29Å; M100-L109 HydrophobicContact SD-CD2 3.55Å; M100-L109 VanDerWaalsContact SD-CD2 3.55Å; V105-L109 PolarHBondContact O-N 2.88Å; V105-L109 VanDerWaalsContact O-N 3.07Å; E106-L109 PolarHBondContact O-N 2.96Å; L109-R111 PolarHBondContact O-N 3.47Å; L109-E112 PolarHBondContact O-N 3.22Å; L109-I113 HydrophobicContact CD1-CD1 4.14Å; L109-I113 HydrophobicContact CD1-CG1 4.21Å; L109-I113 HydrophobicContact CD2-CD1 4.36Å; L109-I113 HydrophobicContact CG-CD1 3.9Å; L109-I113 HydrophobicContact CG-CG1 4.38Å; L109-I113 WeakPolarHBondContact O-CG1 3.31Å; L109-I113 PolarHBondContact O-N 3.06Å; L109-V137 HydrophobicContact CD2-CB 4.42Å; L109-V137 HydrophobicContact CD2-CG1 4.19Å; L109-V137 HydrophobicContact CD2-CG2 4.49Å; L109-L139 HydrophobicContact CD1-CD1 4.2Å
110	R	87.4	Confident	87.5	Confident	143 Å²	143	70.2 Å²	70.2	54%	0.54	33%	0.334	S	S	.	.	H	α-helix	trans	-57.6	-40.3	177.4	-73.1	-177.4	-168.1	132.8	17.8	110.9	E106 E114	E106-R110 WeakPolarHBondContact O-CG 3.23Å; E106-R110 PolarHBondContact O-N 2.8Å; E106-R110 IonicContact OE2-CZ 3.73Å; E106-R110 IonicContact OE2-NH2 2.74Å; E106-R110 PolarHBondContact OE2-NH2 2.74Å; R110-E114 VanDerWaalsContact O-CB 3.27Å; R110-E114 WeakPolarHBondContact O-CB 3.36Å; R110-E114 PolarHBondContact O-N 3.3Å
111	R	83.6	Confident	88	Confident	118 Å²	118	70.6 Å²	70.6	45%	0.445	34%	0.336	S	S	.	.	H	α-helix	trans	-67.3	-43.3	175.6	-175.6	-178.9	-64.9	161.4	2.9	112.7	H107 Q108 L109 I113 E114 I115 S209	H107-R111 WeakPolarHBondContact O-CB 3.14Å; H107-R111 PolarHBondContact O-N 2.9Å; H107-R111 VanDerWaalsContact O-N 3.14Å; Q108-R111 WeakPolarHBondContact O-CB 3.15Å; Q108-R111 PolarHBondContact O-N 3.5Å; L109-R111 PolarHBondContact O-N 3.47Å; R111-I113 VanDerWaalsContact C-N 3.33Å; R111-I113 PolarHBondContact O-N 3.12Å; R111-E114 PolarHBondContact O-N 2.91Å; R111-I115 HydrophobicContact CG-CD1 3.63Å; R111-I115 HydrophobicContact CG-CG1 4.2Å; R111-I115 WeakPolarHBondContact O-CB 3.43Å; R111-I115 WeakPolarHBondContact O-CG1 3.46Å; R111-I115 PolarHBondContact O-N 3.46Å; R111-S209 WeakPolarHBondContact CD-O 3.33Å
112	E	85.9	Confident	88.4	Confident	16 Å²	16	67.2 Å²	67.2	8%	0.075	32%	0.324	C	S	.	.	H	α-helix	trans	-56.4	-49	175	-177.3	-175	162	0	0	110.2	K93 Q108 L109 Q116 F206	K93-E112 IonicContact NZ-OE1 3.89Å; K93-E112 PolarHBondContact NZ-OE1 2.98Å; Q108-E112 PolarHBondContact O-N 3.12Å; L109-E112 PolarHBondContact O-N 3.22Å; E112-Q116 WeakPolarHBondContact O-CB 3.48Å; E112-Q116 PolarHBondContact O-N 2.75Å; E112-F206 HydrophobicContact CG-CB 4.46Å
113	I	89.3	Confident	88.8	Confident	20 Å²	20	58.3 Å²	58.3	10%	0.103	29%	0.285	C	S	.	.	H	α-helix	trans	-61	-49	176.8	-67.1	170	0	0	0	111	L109 R111 S117 F127 Y130 L139	L109-I113 HydrophobicContact CD1-CD1 4.14Å; L109-I113 HydrophobicContact CD1-CG1 4.21Å; L109-I113 HydrophobicContact CD2-CD1 4.36Å; L109-I113 HydrophobicContact CG-CD1 3.9Å; L109-I113 HydrophobicContact CG-CG1 4.38Å; L109-I113 WeakPolarHBondContact O-CG1 3.31Å; L109-I113 PolarHBondContact O-N 3.06Å; R111-I113 VanDerWaalsContact C-N 3.33Å; R111-I113 PolarHBondContact O-N 3.12Å; I113-S117 WeakPolarHBondContact O-CB 3.26Å; I113-S117 PolarHBondContact O-N 3.32Å; I113-S117 PolarHBondContact O-OG 3.05Å; I113-F127 HydrophobicContact CB-CZ 4.37Å; I113-F127 HydrophobicContact CG1-CE2 4.19Å; I113-F127 HydrophobicContact CG1-CZ 4.18Å; I113-F127 HydrophobicContact CG2-CE1 4.4Å; I113-F127 HydrophobicContact CG2-CZ 3.84Å; I113-Y130 HydrophobicContact CD1-CD2 4.37Å; I113-Y130 HydrophobicContact CD1-CG 4.38Å; I113-Y130 HydrophobicContact CG2-CD1 3.78Å; I113-Y130 HydrophobicContact CG2-CE1 3.82Å; I113-Y130 HydrophobicContact CG2-CG 4.41Å; I113-L139 HydrophobicContact CD1-CD2 3.82Å; I113-L139 HydrophobicContact CG1-CD2 3.92Å
114	E	88.6	Confident	89.4	Confident	127 Å²	127	55 Å²	55	59%	0.593	27%	0.27	S	S	*	.	H	α-helix	trans	-60.2	-47.9	-179.2	-176.6	-175.6	177	0	0	111.5	R110 R111 S117 H118	R110-E114 VanDerWaalsContact O-CB 3.27Å; R110-E114 WeakPolarHBondContact O-CB 3.36Å; R110-E114 PolarHBondContact O-N 3.3Å; R111-E114 PolarHBondContact O-N 2.91Å; E114-S117 PolarHBondContact O-OG 2.73Å; E114-H118 PolarHBondContact O-ND1 3.32Å
115	I	87.4	Confident	90	Very high	13 Å²	13	52.5 Å²	52.5	7%	0.067	24%	0.242	C	C	.	.	H	α-helix	trans	-67.6	-58.3	-179.7	-68.7	175.2	0	0	0	109.8	R111 S117 H118 L119 V183 F206	R111-I115 HydrophobicContact CG-CD1 3.63Å; R111-I115 HydrophobicContact CG-CG1 4.2Å; R111-I115 WeakPolarHBondContact O-CB 3.43Å; R111-I115 WeakPolarHBondContact O-CG1 3.46Å; R111-I115 PolarHBondContact O-N 3.46Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 3.38Å; I115-H118 PolarHBondContact O-N 3.17Å; I115-H118 VanDerWaalsContact O-N 3.12Å; I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.42Å; I115-L119 WeakPolarHBondContact O-CG 3.15Å; I115-V183 HydrophobicContact CG2-CG1 3.78Å; I115-V183 HydrophobicContact CG2-CG2 3.97Å; I115-F206 HydrophobicContact CG2-CD1 4.05Å
116	Q	90.8	Very high	90.6	Very high	1 Å²	1	55.2 Å²	55.2	1%	0.005	25%	0.251	C	S	.	.	H	α-helix	trans	-67.5	-31.7	-168.2	-161	179.4	0.1	0	0	112.7	E112 H118 L119 L125 F127 F206	E112-Q116 WeakPolarHBondContact O-CB 3.48Å; E112-Q116 PolarHBondContact O-N 2.75Å; Q116-H118 PolarHBondContact O-N 2.7Å; Q116-L119 PolarHBondContact O-N 2.9Å; Q116-L119 VanDerWaalsContact O-N 3.12Å; Q116-L125 PolarHBondContact NE2-O 3.32Å; Q116-L125 VanDerWaalsContact NE2-O 3.14Å; Q116-F127 HydrophobicContact CB-CB 4.27Å; Q116-F127 HydrophobicContact CG-CB 3.91Å; Q116-F206 HydrophobicContact CB-CD2 4.42Å; Q116-F206 HydrophobicContact CG-CD2 3.91Å; Q116-F206 HydrophobicContact CG-CE2 4.3Å
117	S	91.6	Very high	91.1	Very high	39 Å²	39	53.2 Å²	53.2	27%	0.273	24%	0.241	S	C	.	.	H	α-helix	trans	-62.2	-24.6	176.2	61	0	0	0	0	113.9	I113 E114 I115	I113-S117 WeakPolarHBondContact O-CB 3.26Å; I113-S117 PolarHBondContact O-N 3.32Å; I113-S117 PolarHBondContact O-OG 3.05Å; E114-S117 PolarHBondContact O-OG 2.73Å; I115-S117 VanDerWaalsContact C-N 3.33Å; I115-S117 PolarHBondContact O-N 3.38Å
118	H	91.3	Very high	91.6	Very high	125 Å²	125	51.3 Å²	51.3	58%	0.579	23%	0.229	S	C	*	.	T	Hydrogen-bonded Turn	trans	-96.6	-3.5	178.1	-63.4	95.9	0	0	0	113.5	E114 I115 Q116 Y177	E114-H118 PolarHBondContact O-ND1 3.32Å; I115-H118 PolarHBondContact O-N 3.17Å; I115-H118 VanDerWaalsContact O-N 3.12Å; Q116-H118 PolarHBondContact O-N 2.7Å; H118-Y177 PolarHBondContact O-OH 3.32Å
119	L	93.7	Very high	92.3	Very high	6 Å²	6	51.9 Å²	51.9	3%	0.031	23%	0.234	C	C	.	.			trans	-88.4	128.7	177.5	-59.3	179.2	0	0	0	110.8	I115 Q116 I124 Y177 K181 F206	I115-L119 HydrophobicContact CG2-CD1 3.91Å; I115-L119 HydrophobicContact CG2-CG 4.42Å; I115-L119 WeakPolarHBondContact O-CG 3.15Å; Q116-L119 PolarHBondContact O-N 2.9Å; Q116-L119 VanDerWaalsContact O-N 3.12Å; L119-I124 HydrophobicContact CB-CD1 4.28Å; L119-I124 HydrophobicContact CB-CG2 4.15Å; L119-I124 HydrophobicContact CD1-CD1 4.31Å; L119-I124 HydrophobicContact CD1-CG2 4.45Å; L119-Y177 HydrophobicContact CB-CE1 4.1Å; L119-Y177 HydrophobicContact CD2-CD1 4.33Å; L119-Y177 HydrophobicContact CD2-CE1 3.66Å; L119-Y177 HydrophobicContact CG-CE1 4.46Å; L119-K181 HydrophobicContact CD2-CD 3.87Å; L119-F206 HydrophobicContact CD1-CD1 3.78Å; L119-F206 HydrophobicContact CD1-CE1 3.23Å; L119-F206 HydrophobicContact CD1-CE2 4.27Å; L119-F206 HydrophobicContact CD1-CG 4.5Å; L119-F206 HydrophobicContact CD1-CZ 3.53Å
120	K	95.4	Very high	92.8	Very high	135 Å²	135	56.6 Å²	56.6	59%	0.587	25%	0.251	S	S	*	.			trans	-139.1	80.4	-173.5	-51.2	-151.2	166.9	172.5	0	108.8	R126 Y177	K120-R126 VanDerWaalsContact CD-NH1 3.25Å; K120-Y177 PolarHBondContact N-OH 3.29Å
121	H	97	Very high	93.2	Very high	21 Å²	21	50.5 Å²	50.5	10%	0.097	23%	0.229	C	C	.	.			trans	-139.3	143.3	-178.1	-172.8	-93.2	0	0	0	110.1	N123 I124 D173 A174 Y177	H121-N123 PolarHBondContact ND1-N 3.14Å; H121-N123 PolarHBondContact O-N 2.96Å; H121-I124 HydrophobicContact CB-CB 4.09Å; H121-I124 HydrophobicContact CB-CD1 3.72Å; H121-I124 HydrophobicContact CB-CG1 3.85Å; H121-I124 PolarHBondContact O-N 2.91Å; H121-I124 VanDerWaalsContact O-N 3.15Å; H121-D173 IonicContact CE1-OD2 2.75Å; H121-D173 IonicContact NE2-OD1 3.33Å; H121-D173 IonicContact NE2-OD2 3.64Å; H121-D173 PolarHBondContact NE2-OD2 2.85Å; H121-A174 VanDerWaalsContact CE1-CA 3.48Å; H121-A174 WeakPolarHBondContact CE1-CA 3.4Å; H121-A174 PolarHBondContact CE1-N 3.25Å; H121-Y177 HydrophobicContact CB-CD1 3.88Å; H121-Y177 HydrophobicContact CB-CE1 4.17Å; H121-Y177 HydrophobicContact CB-CG 4.17Å
122	P	97.1	Very high	93.7	Very high	46 Å²	46	50.5 Å²	50.5	30%	0.299	23%	0.234	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.3	-32.5	-179.4	21.1	-34.5	0	0	0	113.7	K202 L322 P323	P122-K202 VanDerWaalsContact O-CD 3.31Å; P122-K202 WeakPolarHBondContact O-CD 3.46Å; P122-K202 WeakPolarHBondContact O-CE 3.39Å; P122-K202 PolarHBondContact O-NZ 3.34Å; P122-L322 HydrophobicContact CG-CD2 4.3Å; P122-P323 HydrophobicContact CB-CG 3.98Å
123	N	97.9	Very high	94.2	Very high	1 Å²	1	52.1 Å²	52.1	1%	0.005	24%	0.243	C	C	.	.	T	Hydrogen-bonded Turn	trans	-101	18.7	-179.7	-58.7	100.5	0	0	0	114.2	H121 E170 A174 L201 K202 I203 R320	H121-N123 PolarHBondContact ND1-N 3.14Å; H121-N123 PolarHBondContact O-N 2.96Å; N123-E170 HydrophobicContact CB-CB 4.34Å; N123-E170 VanDerWaalsContact ND2-CD 3.28Å; N123-E170 WeakPolarHBondContact ND2-CG 3.32Å; N123-E170 PolarHBondContact ND2-OE1 2.97Å; N123-A174 HydrophobicContact CB-CB 4.04Å; N123-L201 WeakPolarHBondContact CA-O 3.45Å; N123-L201 VanDerWaalsContact CB-O 3.22Å; N123-L201 WeakPolarHBondContact CB-O 3.29Å; N123-L201 PolarHBondContact ND2-O 3.11Å; N123-K202 WeakPolarHBondContact O-CA 3.12Å; N123-I203 PolarHBondContact O-N 3.28Å; N123-R320 PolarHBondContact OD1-NH2 3.44Å
124	I	97.6	Very high	94.5	Very high	4 Å²	4	62.7 Å²	62.7	2%	0.021	28%	0.281	C	S	.	.	B	Isolated β-bridge	trans	-116.7	131.3	168.9	-63.5	176.1	0	0	0	107.6	L119 H121 R126 A174 Y177 C178 I203 F206	L119-I124 HydrophobicContact CB-CD1 4.28Å; L119-I124 HydrophobicContact CB-CG2 4.15Å; L119-I124 HydrophobicContact CD1-CD1 4.31Å; L119-I124 HydrophobicContact CD1-CG2 4.45Å; H121-I124 HydrophobicContact CB-CB 4.09Å; H121-I124 HydrophobicContact CB-CD1 3.72Å; H121-I124 HydrophobicContact CB-CG1 3.85Å; H121-I124 PolarHBondContact O-N 2.91Å; H121-I124 VanDerWaalsContact O-N 3.15Å; I124-R126 PolarHBondContact O-N 3.26Å; I124-R126 VanDerWaalsContact O-N 3.15Å; I124-A174 HydrophobicContact CD1-CB 4.48Å; I124-A174 HydrophobicContact CG1-CB 3.98Å; I124-Y177 HydrophobicContact CD1-CD1 3.77Å; I124-Y177 HydrophobicContact CD1-CE1 4.2Å; I124-C178 VanDerWaalsContact CD1-SG 3.54Å; I124-I203 HydrophobicContact CG1-CB 4.49Å; I124-F206 HydrophobicContact CD1-CZ 4.34Å; I124-F206 HydrophobicContact CG1-CZ 4.43Å; I124-F206 HydrophobicContact CG2-CE2 3.71Å; I124-F206 HydrophobicContact CG2-CZ 3.7Å
125	L	96.9	Very high	94.8	Very high	6 Å²	6	64.3 Å²	64.3	3%	0.031	29%	0.287	C	S	.	.	P	Polyproline II helix	trans	-60.8	119	179	-164.7	77.1	0	0	0	109.5	Q116 F127 L141 E142 A144 L194 K202 I203 A204	Q116-L125 PolarHBondContact NE2-O 3.32Å; Q116-L125 VanDerWaalsContact NE2-O 3.14Å; L125-F127 PolarHBondContact O-N 2.81Å; L125-L141 HydrophobicContact CD2-CB 4.34Å; L125-L141 HydrophobicContact CD2-CD1 4.44Å; L125-E142 HydrophobicContact CD1-CB 3.99Å; L125-E142 HydrophobicContact CD1-CG 4.07Å; L125-E142 HydrophobicContact CG-CB 4.21Å; L125-A144 HydrophobicContact CD1-CB 4.13Å; L125-L194 HydrophobicContact CD1-CD1 4.12Å; L125-L194 HydrophobicContact CD2-CD1 3.92Å; L125-K202 HydrophobicContact CB-CB 4.36Å; L125-K202 HydrophobicContact CD1-CB 4.06Å; L125-K202 HydrophobicContact CD1-CG 4.36Å; L125-I203 VanDerWaalsContact CB-O 3.28Å; L125-I203 WeakPolarHBondContact CB-O 3.27Å; L125-I203 PolarHBondContact N-O 2.95Å; L125-A204 HydrophobicContact CB-CB 4.18Å; L125-A204 HydrophobicContact CD2-CB 3.81Å
126	R	95.9	Very high	95.2	Very high	77 Å²	77	67.4 Å²	67.4	29%	0.291	30%	0.298	S	S	.	.	P	Polyproline II helix	trans	-66.5	128.5	-175.2	178.3	70.1	75.5	170.4	4.9	111	K120 I124 Y128 L141 E142	K120-R126 VanDerWaalsContact CD-NH1 3.25Å; I124-R126 PolarHBondContact O-N 3.26Å; I124-R126 VanDerWaalsContact O-N 3.15Å; R126-Y128 HydrophobicContact CB-CE1 4.21Å; R126-Y128 HydrophobicContact CG-CD1 3.6Å; R126-Y128 HydrophobicContact CG-CE1 3.36Å; R126-Y128 HydrophobicContact CG-CG 4.28Å; R126-L141 CarbonylContact O-C 3.31Å; R126-L141 WeakPolarHBondContact O-CA 3.35Å; R126-E142 HydrophobicContact CB-CB 3.85Å; R126-E142 PolarHBondContact N-OE2 3.48Å; R126-E142 PolarHBondContact O-N 3.38Å
127	F	95.8	Very high	95.4	Very high	13 Å²	13	68.1 Å²	68.1	6%	0.057	30%	0.302	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-90.5	118	162.8	-174.1	-79.8	0	0	0	109.1	I113 Q116 L125 Y130 L139 L141	I113-F127 HydrophobicContact CB-CZ 4.37Å; I113-F127 HydrophobicContact CG1-CE2 4.19Å; I113-F127 HydrophobicContact CG1-CZ 4.18Å; I113-F127 HydrophobicContact CG2-CE1 4.4Å; I113-F127 HydrophobicContact CG2-CZ 3.84Å; Q116-F127 HydrophobicContact CB-CB 4.27Å; Q116-F127 HydrophobicContact CG-CB 3.91Å; L125-F127 PolarHBondContact O-N 2.81Å; F127-Y130 HydrophobicContact CE1-CD1 4.19Å; F127-Y130 AromaticContact CZ-CD1 3.97Å; F127-Y130 HydrophobicContact CZ-CD1 3.97Å; F127-Y130 HydrophobicContact CZ-CG 4.29Å; F127-L139 HydrophobicContact CE2-CB 4.07Å; F127-L139 HydrophobicContact CE2-CD1 4.34Å; F127-L139 HydrophobicContact CE2-CD2 4.08Å; F127-L139 HydrophobicContact CE2-CG 4.39Å; F127-L139 HydrophobicContact CZ-CD2 4.4Å; F127-L141 HydrophobicContact CB-CD2 4.25Å; F127-L141 HydrophobicContact CD2-CD2 3.57Å; F127-L141 HydrophobicContact CE2-CD2 4.35Å; F127-L141 HydrophobicContact CG-CD2 4.23Å
128	Y	94.6	Very high	95.6	Very high	96 Å²	96	66.3 Å²	66.3	38%	0.376	29%	0.289	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-88.5	-51.3	-179.3	-63.9	-63.4	0	0	0	111.9	F88 V90 R126 I140 E142	F88-Y128 HydrophobicContact CE1-CE1 4.35Å; F88-Y128 AromaticContact CE1-CE2 3.73Å; F88-Y128 HydrophobicContact CE1-CE2 3.73Å; F88-Y128 AromaticContact CE1-CZ 3.63Å; V90-Y128 HydrophobicContact CG1-CD2 4.26Å; V90-Y128 HydrophobicContact CG1-CE2 4.22Å; R126-Y128 HydrophobicContact CB-CE1 4.21Å; R126-Y128 HydrophobicContact CG-CD1 3.6Å; R126-Y128 HydrophobicContact CG-CE1 3.36Å; R126-Y128 HydrophobicContact CG-CG 4.28Å; Y128-I140 WeakPolarHBondContact CB-O 3.46Å; Y128-I140 HydrophobicContact CD2-CG2 4.14Å; Y128-I140 PolarHBondContact N-O 3.24Å; Y128-E142 HydrophobicContact CE2-CB 4.13Å
129	N	94.6	Very high	95.8	Very high	68 Å²	68	60.3 Å²	60.3	36%	0.364	26%	0.261	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-168.4	177.6	-178.2	-148.7	-26.5	0	0	0	110.3	F59 I140	F59-N129 HydrophobicContact CD2-CB 4.46Å; F59-N129 HydrophobicContact CE2-CB 4.32Å; N129-I140 HydrophobicContact CB-CD1 4.04Å; N129-I140 PolarHBondContact N-O 3.48Å; N129-I140 WeakPolarHBondContact O-CB 3.4Å; N129-I140 PolarHBondContact O-N 3.42Å
130	Y	95.5	Very high	96	Very high	113 Å²	113	60.4 Å²	60.4	44%	0.443	26%	0.262	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.8	160.7	168.2	71.6	-76.6	0	0	0	111.2	I113 F127 F138	I113-Y130 HydrophobicContact CD1-CD2 4.37Å; I113-Y130 HydrophobicContact CD1-CG 4.38Å; I113-Y130 HydrophobicContact CG2-CD1 3.78Å; I113-Y130 HydrophobicContact CG2-CE1 3.82Å; I113-Y130 HydrophobicContact CG2-CG 4.41Å; F127-Y130 HydrophobicContact CE1-CD1 4.19Å; F127-Y130 AromaticContact CZ-CD1 3.97Å; F127-Y130 HydrophobicContact CZ-CD1 3.97Å; F127-Y130 HydrophobicContact CZ-CG 4.29Å; Y130-F138 CarbonylContact C-O 3.54Å; Y130-F138 WeakPolarHBondContact CA-O 3.48Å; Y130-F138 VanDerWaalsContact CB-O 3.26Å; Y130-F138 WeakPolarHBondContact CB-O 3.16Å
131	F	95.9	Very high	96.1	Very high	15 Å²	15	54.6 Å²	54.6	7%	0.066	24%	0.237	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	172.6	168.6	61.8	-83.9	0	0	0	109.7	F59 I61 F64 L92 F138 I140	F59-F131 HydrophobicContact CB-CB 4.08Å; F59-F131 HydrophobicContact CB-CD1 3.59Å; F59-F131 HydrophobicContact CB-CE1 4.15Å; F59-F131 HydrophobicContact CB-CG 3.9Å; F59-F131 WeakPolarHBondContact O-CB 3.45Å; F59-F131 WeakPolarHBondContact O-CG 3.48Å; I61-F131 HydrophobicContact CB-CE2 4.37Å; F64-F131 HydrophobicContact CD2-CE1 4.28Å; F64-F131 HydrophobicContact CD2-CZ 4.17Å; F64-F131 AromaticContact CE2-CE1 3.6Å; F64-F131 HydrophobicContact CE2-CE1 3.6Å; F64-F131 AromaticContact CE2-CZ 3.93Å; F64-F131 HydrophobicContact CE2-CZ 3.93Å; F64-F131 HydrophobicContact CZ-CE1 4.2Å; L92-F131 HydrophobicContact CD1-CE1 3.98Å; L92-F131 HydrophobicContact CD1-CZ 4.27Å; F131-F138 HydrophobicContact CD1-CB 3.83Å; F131-F138 HydrophobicContact CD2-CB 3.94Å; F131-F138 AromaticContact CD2-CD2 3.51Å; F131-F138 HydrophobicContact CD2-CD2 3.51Å; F131-F138 HydrophobicContact CD2-CE2 4.18Å; F131-F138 AromaticContact CD2-CG 3.9Å; F131-F138 HydrophobicContact CD2-CG 3.9Å; F131-F138 HydrophobicContact CE1-CB 3.52Å; F131-F138 HydrophobicContact CE1-CG 4.12Å; F131-F138 HydrophobicContact CE2-CB 3.63Å; F131-F138 AromaticContact CE2-CD1 3.92Å; F131-F138 HydrophobicContact CE2-CD1 3.92Å; F131-F138 AromaticContact CE2-CD2 3.24Å; F131-F138 HydrophobicContact CE2-CD2 3.24Å; F131-F138 HydrophobicContact CE2-CE1 4.37Å; F131-F138 AromaticContact CE2-CE2 3.75Å; F131-F138 HydrophobicContact CE2-CE2 3.75Å; F131-F138 AromaticContact CE2-CG 3.33Å; F131-F138 HydrophobicContact CE2-CG 3.33Å; F131-F138 HydrophobicContact CE2-CZ 4.27Å; F131-F138 HydrophobicContact CG-CB 4.04Å; F131-F138 HydrophobicContact CG-CD2 4.34Å; F131-F138 HydrophobicContact CG-CG 4.49Å; F131-F138 HydrophobicContact CZ-CB 3.42Å; F131-F138 VanDerWaalsContact CZ-CB 3.42Å; F131-F138 AromaticContact CZ-CD1 3.83Å; F131-F138 HydrophobicContact CZ-CD1 3.83Å; F131-F138 AromaticContact CZ-CD2 3.92Å; F131-F138 HydrophobicContact CZ-CD2 3.92Å; F131-F138 AromaticContact CZ-CG 3.47Å; F131-F138 HydrophobicContact CZ-CG 3.47Å; F131-F138 VanDerWaalsContact CZ-CG 3.47Å; F131-F138 PolarHBondContact N-O 2.93Å; F131-F138 PolarHBondContact O-N 2.8Å; F131-I140 HydrophobicContact CD1-CD1 3.78Å; F131-I140 HydrophobicContact CD1-CG1 4.18Å; F131-I140 HydrophobicContact CE1-CD1 3.85Å; F131-I140 HydrophobicContact CE1-CG1 3.94Å
132	H	95.5	Very high	96	Very high	118 Å²	118	55.3 Å²	55.3	55%	0.546	24%	0.24	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.1	152.5	177.5	72	78.6	0	0	0	110.9	K97 R136 V137	K97-H132 PolarHBondContact NZ-ND1 2.97Å; H132-R136 CarbonylContact C-O 3.58Å; H132-R136 VanDerWaalsContact CA-O 3.27Å; H132-R136 WeakPolarHBondContact CA-O 3.38Å; H132-R136 WeakPolarHBondContact CB-O 3.27Å; H132-V137 HydrophobicContact CB-CG2 4.16Å
133	D	95.3	Very high	96	Very high	50 Å²	50	55.7 Å²	55.7	27%	0.267	24%	0.236	S	C	.	.			trans	-111	-162.4	168	69.5	32	0	0	0	110.1	K97 K135 R136 F138	K97-D133 WeakPolarHBondContact CE-O 3.47Å; K97-D133 PolarHBondContact NZ-O 2.84Å; D133-K135 VanDerWaalsContact C-N 3.3Å; D133-K135 PolarHBondContact O-N 3.21Å; D133-K135 WeakPolarHBondContact OD1-CA 3.25Å; D133-K135 PolarHBondContact OD1-N 3.02Å; D133-R136 PolarHBondContact N-O 2.49Å; D133-R136 PolarHBondContact OD1-N 2.82Å; D133-R136 IonicContact OD1-NE 3.34Å; D133-R136 IonicContact OD2-CZ 3.69Å; D133-R136 VanDerWaalsContact OD2-CZ 3.24Å; D133-R136 IonicContact OD2-NE 3.49Å; D133-R136 PolarHBondContact OD2-NE 3.45Å; D133-R136 IonicContact OD2-NH2 2.72Å; D133-R136 PolarHBondContact OD2-NH2 2.83Å; D133-F138 HydrophobicContact CB-CE2 4.29Å; D133-F138 WeakPolarHBondContact OD2-CE2 3.49Å; D133-F138 WeakPolarHBondContact OD2-CZ 3.21Å
134	R	95.4	Very high	96	Very high	242 Å²	242	56.1 Å²	56.1	91%	0.913	24%	0.24	S	C	*	.	S	Bend	trans	-63.7	-33.2	178	-67.9	-176.7	179.8	177.1	-0	113.1
135	K	95.7	Very high	95.9	Very high	161 Å²	161	58.4 Å²	58.4	70%	0.7	26%	0.255	S	S	*	.	S	Bend	trans	-114.1	-21.8	-170.3	-63.5	-175.3	178.1	-177.4	0	113.8	K97 D133	K97-K135 WeakPolarHBondContact CB-O 3.43Å; K97-K135 PolarHBondContact N-O 3.3Å; D133-K135 VanDerWaalsContact C-N 3.3Å; D133-K135 PolarHBondContact O-N 3.21Å; D133-K135 WeakPolarHBondContact OD1-CA 3.25Å; D133-K135 PolarHBondContact OD1-N 3.02Å
136	R	96	Very high	95.8	Very high	79 Å²	79	64.3 Å²	64.3	30%	0.298	28%	0.277	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-133.9	152.1	-165.9	-61.9	171.9	-65.2	-177.7	3.9	112.6	V94 L95 F96 H132 D133 F138	V94-R136 HydrophobicContact CG1-CB 4.22Å; V94-R136 HydrophobicContact CG1-CG 4.16Å; L95-R136 CarbonylContact O-C 3.4Å; L95-R136 WeakPolarHBondContact O-CA 3.3Å; F96-R136 HydrophobicContact CD1-CG 3.93Å; F96-R136 HydrophobicContact CE1-CG 4.02Å; H132-R136 CarbonylContact C-O 3.58Å; H132-R136 VanDerWaalsContact CA-O 3.27Å; H132-R136 WeakPolarHBondContact CA-O 3.38Å; H132-R136 WeakPolarHBondContact CB-O 3.27Å; D133-R136 PolarHBondContact N-O 2.49Å; D133-R136 PolarHBondContact OD1-N 2.82Å; D133-R136 IonicContact OD1-NE 3.34Å; D133-R136 IonicContact OD2-CZ 3.69Å; D133-R136 VanDerWaalsContact OD2-CZ 3.24Å; D133-R136 IonicContact OD2-NE 3.49Å; D133-R136 PolarHBondContact OD2-NE 3.45Å; D133-R136 IonicContact OD2-NH2 2.72Å; D133-R136 PolarHBondContact OD2-NH2 2.83Å; R136-F138 HydrophobicContact CB-CD2 4.36Å; R136-F138 HydrophobicContact CB-CE2 3.67Å; R136-F138 HydrophobicContact CB-CZ 3.83Å
137	V	95.3	Very high	95.8	Very high	15 Å²	15	62 Å²	62	9%	0.091	28%	0.277	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-110.9	139.4	164.4	-178.8	0	0	0	0	107.8	L95 K97 L109 H132 L139	L95-V137 HydrophobicContact CB-CB 4.39Å; L95-V137 PolarHBondContact N-O 2.77Å; L95-V137 PolarHBondContact O-N 2.76Å; K97-V137 HydrophobicContact CG-CG2 4.11Å; L109-V137 HydrophobicContact CD2-CB 4.42Å; L109-V137 HydrophobicContact CD2-CG1 4.19Å; L109-V137 HydrophobicContact CD2-CG2 4.49Å; H132-V137 HydrophobicContact CB-CG2 4.16Å; V137-L139 HydrophobicContact CG1-CD2 4Å
138	F	96.1	Very high	95.7	Very high	1 Å²	1	63.7 Å²	63.7	0%	0.004	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-122.6	122.2	-177.8	-58.8	-98.3	0	0	0	109.1	I61 L92 K93 V94 Y130 F131 D133 R136	I61-F138 HydrophobicContact CB-CZ 4.42Å; I61-F138 HydrophobicContact CD1-CD1 4.14Å; I61-F138 HydrophobicContact CD1-CE1 3.68Å; I61-F138 HydrophobicContact CD1-CZ 4.37Å; I61-F138 HydrophobicContact CG1-CE1 4.3Å; L92-F138 HydrophobicContact CD1-CB 4.18Å; L92-F138 HydrophobicContact CD2-CD1 3.93Å; L92-F138 HydrophobicContact CG-CD1 4.21Å; K93-F138 WeakPolarHBondContact O-CA 3.18Å; V94-F138 HydrophobicContact CB-CD1 4.43Å; V94-F138 HydrophobicContact CG1-CD1 4.18Å; V94-F138 HydrophobicContact CG1-CE1 3.88Å; V94-F138 HydrophobicContact CG1-CZ 4.48Å; V94-F138 HydrophobicContact CG2-CD1 3.79Å; V94-F138 HydrophobicContact CG2-CE1 3.94Å; Y130-F138 CarbonylContact C-O 3.54Å; Y130-F138 WeakPolarHBondContact CA-O 3.48Å; Y130-F138 VanDerWaalsContact CB-O 3.26Å; Y130-F138 WeakPolarHBondContact CB-O 3.16Å; F131-F138 HydrophobicContact CD1-CB 3.83Å; F131-F138 HydrophobicContact CD2-CB 3.94Å; F131-F138 AromaticContact CD2-CD2 3.51Å; F131-F138 HydrophobicContact CD2-CD2 3.51Å; F131-F138 HydrophobicContact CD2-CE2 4.18Å; F131-F138 AromaticContact CD2-CG 3.9Å; F131-F138 HydrophobicContact CD2-CG 3.9Å; F131-F138 HydrophobicContact CE1-CB 3.52Å; F131-F138 HydrophobicContact CE1-CG 4.12Å; F131-F138 HydrophobicContact CE2-CB 3.63Å; F131-F138 AromaticContact CE2-CD1 3.92Å; F131-F138 HydrophobicContact CE2-CD1 3.92Å; F131-F138 AromaticContact CE2-CD2 3.24Å; F131-F138 HydrophobicContact CE2-CD2 3.24Å; F131-F138 HydrophobicContact CE2-CE1 4.37Å; F131-F138 AromaticContact CE2-CE2 3.75Å; F131-F138 HydrophobicContact CE2-CE2 3.75Å; F131-F138 AromaticContact CE2-CG 3.33Å; F131-F138 HydrophobicContact CE2-CG 3.33Å; F131-F138 HydrophobicContact CE2-CZ 4.27Å; F131-F138 HydrophobicContact CG-CB 4.04Å; F131-F138 HydrophobicContact CG-CD2 4.34Å; F131-F138 HydrophobicContact CG-CG 4.49Å; F131-F138 HydrophobicContact CZ-CB 3.42Å; F131-F138 VanDerWaalsContact CZ-CB 3.42Å; F131-F138 AromaticContact CZ-CD1 3.83Å; F131-F138 HydrophobicContact CZ-CD1 3.83Å; F131-F138 AromaticContact CZ-CD2 3.92Å; F131-F138 HydrophobicContact CZ-CD2 3.92Å; F131-F138 AromaticContact CZ-CG 3.47Å; F131-F138 HydrophobicContact CZ-CG 3.47Å; F131-F138 VanDerWaalsContact CZ-CG 3.47Å; F131-F138 PolarHBondContact N-O 2.93Å; F131-F138 PolarHBondContact O-N 2.8Å; D133-F138 HydrophobicContact CB-CE2 4.29Å; D133-F138 WeakPolarHBondContact OD2-CE2 3.49Å; D133-F138 WeakPolarHBondContact OD2-CZ 3.21Å; R136-F138 HydrophobicContact CB-CD2 4.36Å; R136-F138 HydrophobicContact CB-CE2 3.67Å; R136-F138 HydrophobicContact CB-CZ 3.83Å
139	L	95.7	Very high	95.8	Very high	0 Å²	0	59.1 Å²	59.1	0%	0	27%	0.267	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-102.7	128.6	172.8	-42.6	-177.1	0	0	0	108.6	L92 K93 L95 L109 I113 F127 V137 L141	L92-L139 WeakPolarHBondContact CA-O 3.43Å; K93-L139 HydrophobicContact CB-CB 4.2Å; K93-L139 HydrophobicContact CD-CD1 4.14Å; K93-L139 HydrophobicContact CG-CD1 4.48Å; K93-L139 PolarHBondContact N-O 2.87Å; K93-L139 PolarHBondContact O-N 2.78Å; L95-L139 HydrophobicContact CD1-CD1 4.09Å; L95-L139 HydrophobicContact CD1-CG 4.25Å; L109-L139 HydrophobicContact CD1-CD1 4.2Å; I113-L139 HydrophobicContact CD1-CD2 3.82Å; I113-L139 HydrophobicContact CG1-CD2 3.92Å; F127-L139 HydrophobicContact CE2-CB 4.07Å; F127-L139 HydrophobicContact CE2-CD1 4.34Å; F127-L139 HydrophobicContact CE2-CD2 4.08Å; F127-L139 HydrophobicContact CE2-CG 4.39Å; F127-L139 HydrophobicContact CZ-CD2 4.4Å; V137-L139 HydrophobicContact CG1-CD2 4Å; L139-L141 HydrophobicContact CB-CD2 4.28Å; L139-L141 HydrophobicContact CB-CG 4.24Å
140	I	96.6	Very high	95.8	Very high	8 Å²	8	59.7 Å²	59.7	4%	0.041	27%	0.265	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-97.7	108.7	178.5	-55.4	161.7	0	0	0	107.2	F59 F64 V90 L92 Y128 N129 F131	F59-I140 HydrophobicContact CB-CD1 4.42Å; F59-I140 HydrophobicContact CD2-CD1 3.89Å; F59-I140 HydrophobicContact CE2-CD1 4.26Å; F59-I140 HydrophobicContact CG-CD1 4.04Å; F64-I140 HydrophobicContact CE1-CD1 4.43Å; F64-I140 HydrophobicContact CE1-CG1 4.46Å; F64-I140 HydrophobicContact CE1-CG2 4.42Å; F64-I140 HydrophobicContact CE2-CD1 4.31Å; F64-I140 HydrophobicContact CZ-CD1 3.6Å; F64-I140 HydrophobicContact CZ-CG1 3.98Å; V90-I140 HydrophobicContact CB-CG2 4.11Å; V90-I140 HydrophobicContact CG1-CG2 3.98Å; V90-I140 HydrophobicContact CG2-CG2 4.18Å; L92-I140 HydrophobicContact CD1-CG1 3.8Å; Y128-I140 WeakPolarHBondContact CB-O 3.46Å; Y128-I140 HydrophobicContact CD2-CG2 4.14Å; Y128-I140 PolarHBondContact N-O 3.24Å; N129-I140 HydrophobicContact CB-CD1 4.04Å; N129-I140 PolarHBondContact N-O 3.48Å; N129-I140 WeakPolarHBondContact O-CB 3.4Å; N129-I140 PolarHBondContact O-N 3.42Å; F131-I140 HydrophobicContact CD1-CD1 3.78Å; F131-I140 HydrophobicContact CD1-CG1 4.18Å; F131-I140 HydrophobicContact CE1-CD1 3.85Å; F131-I140 HydrophobicContact CE1-CG1 3.94Å
141	L	96.8	Very high	95.7	Very high	12 Å²	12	59.9 Å²	59.9	6%	0.063	27%	0.268	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.5	157.9	-171.3	-56.3	174.9	0	0	0	111.4	V90 A91 K93 L125 R126 F127 L139	V90-L141 WeakPolarHBondContact CB-O 2.9Å; A91-L141 HydrophobicContact CB-CB 4.28Å; A91-L141 PolarHBondContact N-O 3.06Å; A91-L141 PolarHBondContact O-N 3.48Å; K93-L141 HydrophobicContact CB-CD1 4.02Å; K93-L141 HydrophobicContact CD-CD1 4.24Å; L125-L141 HydrophobicContact CD2-CB 4.34Å; L125-L141 HydrophobicContact CD2-CD1 4.44Å; R126-L141 CarbonylContact O-C 3.31Å; R126-L141 WeakPolarHBondContact O-CA 3.35Å; F127-L141 HydrophobicContact CB-CD2 4.25Å; F127-L141 HydrophobicContact CD2-CD2 3.57Å; F127-L141 HydrophobicContact CE2-CD2 4.35Å; F127-L141 HydrophobicContact CG-CD2 4.23Å; L139-L141 HydrophobicContact CB-CD2 4.28Å; L139-L141 HydrophobicContact CB-CG 4.24Å
142	E	96.6	Very high	95.7	Very high	37 Å²	37	60.2 Å²	60.2	17%	0.173	27%	0.269	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-56.2	135.8	165.5	170.7	175.2	-152.5	0	0	110.9	L125 R126 Y128 K202	L125-E142 HydrophobicContact CD1-CB 3.99Å; L125-E142 HydrophobicContact CD1-CG 4.07Å; L125-E142 HydrophobicContact CG-CB 4.21Å; R126-E142 HydrophobicContact CB-CB 3.85Å; R126-E142 PolarHBondContact N-OE2 3.48Å; R126-E142 PolarHBondContact O-N 3.38Å; Y128-E142 HydrophobicContact CE2-CB 4.13Å; E142-K202 WeakPolarHBondContact OE1-CE 3.49Å; E142-K202 IonicContact OE1-NZ 2.99Å; E142-K202 PolarHBondContact OE1-NZ 3.42Å; E142-K202 IonicContact OE2-NZ 2.65Å; E142-K202 PolarHBondContact OE2-NZ 3.26Å
143	Y	97.1	Very high	95.8	Very high	54 Å²	54	54.6 Å²	54.6	21%	0.212	24%	0.243	C	C	.	.			trans	-83.5	120.6	172.3	176.3	-129.4	0	0	0	109.9	L70 L80 I89 P145	L70-Y143 HydrophobicContact CD1-CD2 3.72Å; L70-Y143 HydrophobicContact CD1-CE2 3.69Å; L70-Y143 HydrophobicContact CD2-CE2 3.75Å; L70-Y143 HydrophobicContact CG-CE2 4.4Å; L80-Y143 HydrophobicContact CD1-CD1 3.85Å; L80-Y143 HydrophobicContact CD1-CD2 3.83Å; L80-Y143 HydrophobicContact CD1-CE1 3.82Å; L80-Y143 HydrophobicContact CD1-CE2 3.86Å; L80-Y143 HydrophobicContact CD1-CG 3.84Å; I89-Y143 HydrophobicContact CG2-CD1 3.68Å; I89-Y143 HydrophobicContact CG2-CE1 4.41Å; I89-Y143 HydrophobicContact CG2-CG 4.13Å; Y143-P145 HydrophobicContact CD1-CB 4.3Å; Y143-P145 HydrophobicContact CE1-CB 3.71Å; Y143-P145 VanDerWaalsContact O-CD 3.3Å; Y143-P145 WeakPolarHBondContact O-CD 3.41Å
144	A	97.1	Very high	95.8	Very high	9 Å²	9	57 Å²	57	7%	0.074	25%	0.253	C	S	.	.			trans	-97.4	98.7	172.8	0	0	0	0	0	109.4	L125 R146 G147 L194 L195	L125-A144 HydrophobicContact CD1-CB 4.13Å; A144-R146 VanDerWaalsContact C-N 3.29Å; A144-R146 PolarHBondContact O-N 2.88Å; A144-G147 PolarHBondContact O-N 3.35Å; A144-G147 VanDerWaalsContact O-N 3.11Å; A144-L194 HydrophobicContact CB-CB 3.58Å; A144-L194 HydrophobicContact CB-CD1 3.93Å; A144-L194 HydrophobicContact CB-CG 4.37Å; A144-L195 CarbonylContact C-O 3.56Å; A144-L195 WeakPolarHBondContact CB-O 3.43Å
145	P	95.3	Very high	95.8	Very high	53 Å²	53	53.2 Å²	53.2	34%	0.344	24%	0.243	S	C	.	.	T	Hydrogen-bonded Turn	trans	-69.2	-23.4	-166.4	27.8	-37.4	0	0	0	114.5	Y143 G147 F197	Y143-P145 HydrophobicContact CD1-CB 4.3Å; Y143-P145 HydrophobicContact CE1-CB 3.71Å; Y143-P145 VanDerWaalsContact O-CD 3.3Å; Y143-P145 WeakPolarHBondContact O-CD 3.41Å; P145-G147 VanDerWaalsContact C-N 3.32Å; P145-F197 HydrophobicContact CG-CB 3.98Å; P145-F197 HydrophobicContact CG-CD2 4.3Å
146	R	95.8	Very high	95.9	Very high	130 Å²	130	51.4 Å²	51.4	49%	0.491	23%	0.233	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.3	-4	176.7	-71.6	-179.4	158.5	-131	-0.1	113.2	A144 E152 L195 G196	A144-R146 VanDerWaalsContact C-N 3.29Å; A144-R146 PolarHBondContact O-N 2.88Å; R146-E152 IonicContact NH1-OE1 3.74Å; R146-L195 HydrophobicContact CB-CB 3.6Å; R146-L195 WeakPolarHBondContact CB-O 3.42Å; R146-L195 PolarHBondContact N-O 3.12Å; R146-L195 VanDerWaalsContact N-O 3.14Å; R146-G196 VanDerWaalsContact CD-O 3.28Å; R146-G196 WeakPolarHBondContact CD-O 3.27Å; R146-G196 WeakPolarHBondContact CG-O 3.47Å
147	G	95.3	Very high	95.9	Very high	28 Å²	28	49.6 Å²	49.6	29%	0.289	24%	0.239	S	C	.	.	E	Extended strand (participates in β ladder)	trans	74.4	-149.9	172.6	0	0	0	0	0	113.2	A144 P145 L194 L195	A144-G147 PolarHBondContact O-N 3.35Å; A144-G147 VanDerWaalsContact O-N 3.11Å; P145-G147 VanDerWaalsContact C-N 3.32Å; G147-L194 CarbonylContact O-C 3.49Å; G147-L194 VanDerWaalsContact O-CA 3.22Å; G147-L194 WeakPolarHBondContact O-CA 3.14Å; G147-L195 PolarHBondContact O-N 2.92Å
148	E	94.5	Very high	96	Very high	48 Å²	48	54.9 Å²	54.9	22%	0.224	26%	0.257	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-75.8	134.1	-176.1	-66.7	153.3	-137.3	0	0	112.1	Y150 K151 E152 L194	E148-Y150 PolarHBondContact O-N 2.94Å; E148-K151 HydrophobicContact CB-CB 4.47Å; E148-K151 HydrophobicContact CB-CD 4.31Å; E148-K151 HydrophobicContact CB-CG 4.29Å; E148-K151 VanDerWaalsContact CD-NZ 3.26Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-K151 IonicContact OE1-NZ 3.94Å; E148-K151 PolarHBondContact OE1-NZ 2.84Å; E148-K151 WeakPolarHBondContact OE2-CE 3.12Å; E148-K151 IonicContact OE2-NZ 3.65Å; E148-K151 PolarHBondContact OE2-NZ 3.16Å; E148-K151 VanDerWaalsContact OE2-NZ 3.15Å; E148-E152 PolarHBondContact O-N 3.38Å; E148-L194 HydrophobicContact CB-CD2 4.31Å; E148-L194 HydrophobicContact CG-CD2 3.76Å
149	M	96.5	Very high	96.1	Very high	0 Å²	0	55.1 Å²	55.1	0%	0	26%	0.258	C	S	.	.	H	α-helix	trans	-59.4	-37.8	172.7	177.4	-177.8	173	0	0	111.4	K151 E152 L153 F159 Y167 L193 L195 L201 L249 C253	M149-K151 VanDerWaalsContact C-N 3.34Å; M149-K151 PolarHBondContact O-N 3.2Å; M149-E152 CarbonylContact O-C 3.59Å; M149-E152 WeakPolarHBondContact O-CA 3.48Å; M149-E152 PolarHBondContact O-N 3.07Å; M149-E152 VanDerWaalsContact O-N 3.08Å; M149-L153 PolarHBondContact O-N 3.4Å; M149-F159 HydrophobicContact CE-CD2 4.33Å; M149-F159 HydrophobicContact CE-CE2 3.8Å; M149-F159 HydrophobicContact CG-CE2 4.22Å; M149-Y167 HydrophobicContact CE-CD2 3.63Å; M149-Y167 HydrophobicContact CE-CE2 3.98Å; M149-Y167 HydrophobicContact CE-CG 4.49Å; M149-Y167 HydrophobicContact SD-CD2 4.36Å; M149-Y167 HydrophobicContact SD-CE2 4.46Å; M149-L193 HydrophobicContact CB-CB 3.95Å; M149-L193 WeakPolarHBondContact CB-O 3.41Å; M149-L193 PolarHBondContact N-O 3.48Å; M149-L193 HydrophobicContact SD-CB 3.91Å; M149-L193 HydrophobicContact SD-CD1 3.59Å; M149-L193 VanDerWaalsContact SD-CD1 3.59Å; M149-L193 HydrophobicContact SD-CG 4.4Å; M149-L195 HydrophobicContact CB-CD1 4.31Å; M149-L195 HydrophobicContact CB-CD2 4.41Å; M149-L195 HydrophobicContact CB-CG 4.24Å; M149-L201 HydrophobicContact SD-CD1 4.21Å; M149-L249 HydrophobicContact CE-CD1 3.97Å; M149-C253 WeakPolarHBondContact CE-SG 3.24Å
150	Y	93.8	Very high	96.2	Very high	81 Å²	81	59.3 Å²	59.3	32%	0.318	28%	0.281	S	S	.	.	H	α-helix	trans	-54.1	-47.3	175.8	-178	-106.6	0	0	0	112.8	E148 E152 L153 Q154 P190 E191	E148-Y150 PolarHBondContact O-N 2.94Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.36Å; Y150-L153 PolarHBondContact O-N 3.34Å; Y150-Q154 HydrophobicContact CD1-CG 4.17Å; Y150-Q154 HydrophobicContact CD2-CG 4.45Å; Y150-Q154 HydrophobicContact CE1-CG 3.78Å; Y150-Q154 HydrophobicContact CE2-CG 4.09Å; Y150-Q154 HydrophobicContact CG-CG 4.49Å; Y150-Q154 WeakPolarHBondContact O-CG 3.25Å; Y150-Q154 PolarHBondContact O-N 2.98Å; Y150-P190 HydrophobicContact CD2-CB 4.04Å; Y150-P190 HydrophobicContact CG-CB 4.43Å; Y150-P190 PolarHBondContact N-O 3.33Å; Y150-P190 VanDerWaalsContact N-O 3.13Å; Y150-E191 HydrophobicContact CD1-CG 4.36Å; Y150-E191 HydrophobicContact CD2-CG 4.16Å; Y150-E191 HydrophobicContact CG-CG 3.93Å
151	K	93.8	Very high	96.3	Very high	117 Å²	117	60.9 Å²	60.9	51%	0.509	29%	0.289	S	S	.	.	H	α-helix	trans	-64	-35.9	178.1	-72.5	174.7	177.2	147.9	0	111.8	E148 M149 K155	E148-K151 HydrophobicContact CB-CB 4.47Å; E148-K151 HydrophobicContact CB-CD 4.31Å; E148-K151 HydrophobicContact CB-CG 4.29Å; E148-K151 VanDerWaalsContact CD-NZ 3.26Å; E148-K151 PolarHBondContact O-N 2.93Å; E148-K151 IonicContact OE1-NZ 3.94Å; E148-K151 PolarHBondContact OE1-NZ 2.84Å; E148-K151 WeakPolarHBondContact OE2-CE 3.12Å; E148-K151 IonicContact OE2-NZ 3.65Å; E148-K151 PolarHBondContact OE2-NZ 3.16Å; E148-K151 VanDerWaalsContact OE2-NZ 3.15Å; M149-K151 VanDerWaalsContact C-N 3.34Å; M149-K151 PolarHBondContact O-N 3.2Å; K151-K155 WeakPolarHBondContact O-CB 3.22Å; K151-K155 PolarHBondContact O-N 2.92Å; K151-K155 VanDerWaalsContact O-N 3.07Å
152	E	96.4	Very high	96.4	Very high	21 Å²	21	64.8 Å²	64.8	10%	0.098	31%	0.307	C	S	.	.	H	α-helix	trans	-68	-43	174.6	-166.6	162.5	174.1	0	0	111.1	R146 E148 M149 Y150 K155 Y156 F159 R163 L195	R146-E152 IonicContact NH1-OE1 3.74Å; E148-E152 PolarHBondContact O-N 3.38Å; M149-E152 CarbonylContact O-C 3.59Å; M149-E152 WeakPolarHBondContact O-CA 3.48Å; M149-E152 PolarHBondContact O-N 3.07Å; M149-E152 VanDerWaalsContact O-N 3.08Å; Y150-E152 VanDerWaalsContact C-N 3.27Å; Y150-E152 PolarHBondContact O-N 3.36Å; E152-K155 WeakPolarHBondContact O-CB 3.43Å; E152-K155 PolarHBondContact O-N 3.42Å; E152-Y156 HydrophobicContact CG-CD2 3.69Å; E152-Y156 HydrophobicContact CG-CE2 3.62Å; E152-Y156 VanDerWaalsContact O-CD2 3.24Å; E152-Y156 WeakPolarHBondContact O-CD2 3.28Å; E152-Y156 PolarHBondContact O-N 3.09Å; E152-Y156 VanDerWaalsContact O-N 3.1Å; E152-Y156 WeakPolarHBondContact OE1-CE2 3.45Å; E152-F159 HydrophobicContact CB-CZ 4.22Å; E152-F159 HydrophobicContact CG-CE1 4.08Å; E152-F159 HydrophobicContact CG-CZ 4.17Å; E152-R163 IonicContact OE1-CZ 3.24Å; E152-R163 IonicContact OE1-NH1 3.89Å; E152-R163 PolarHBondContact OE1-NH1 2.89Å; E152-R163 IonicContact OE1-NH2 2.9Å; E152-L195 HydrophobicContact CB-CD1 4.13Å; E152-L195 WeakPolarHBondContact OE2-CD1 3.46Å
153	L	96.8	Very high	96.5	Very high	0 Å²	0	66 Å²	66	0%	0	31%	0.31	C	S	.	.	H	α-helix	trans	-60.9	-48.7	176.7	-177.8	62.4	0	0	0	111.4	M149 Y150 K155 Y156 G157 F159 P190 E252	M149-L153 PolarHBondContact O-N 3.4Å; Y150-L153 PolarHBondContact O-N 3.34Å; L153-K155 VanDerWaalsContact C-N 3.27Å; L153-K155 PolarHBondContact O-N 3.3Å; L153-Y156 PolarHBondContact O-N 2.89Å; L153-G157 CarbonylContact O-C 3.49Å; L153-G157 WeakPolarHBondContact O-CA 3.45Å; L153-G157 PolarHBondContact O-N 2.85Å; L153-F159 VanDerWaalsContact CA-CZ 3.49Å; L153-F159 HydrophobicContact CB-CE1 4.39Å; L153-F159 HydrophobicContact CB-CE2 4.07Å; L153-F159 HydrophobicContact CB-CZ 3.76Å; L153-F159 HydrophobicContact CD1-CD1 4.3Å; L153-F159 HydrophobicContact CD1-CD2 4Å; L153-F159 HydrophobicContact CD1-CE1 4.23Å; L153-F159 HydrophobicContact CD1-CE2 3.91Å; L153-F159 HydrophobicContact CD1-CG 4.2Å; L153-F159 HydrophobicContact CD1-CZ 4.04Å; L153-P190 HydrophobicContact CD2-CG 4.44Å; L153-E252 HydrophobicContact CD2-CG 3.85Å
154	Q	94.6	Very high	96.5	Very high	101 Å²	101	63.5 Å²	63.5	47%	0.472	30%	0.301	S	S	.	.	H	α-helix	trans	-58	-39.1	176.2	-71.4	-62.4	-42.5	0	0	112.3	Y150	Y150-Q154 HydrophobicContact CD1-CG 4.17Å; Y150-Q154 HydrophobicContact CD2-CG 4.45Å; Y150-Q154 HydrophobicContact CE1-CG 3.78Å; Y150-Q154 HydrophobicContact CE2-CG 4.09Å; Y150-Q154 HydrophobicContact CG-CG 4.49Å; Y150-Q154 WeakPolarHBondContact O-CG 3.25Å; Y150-Q154 PolarHBondContact O-N 2.98Å
155	K	96.5	Very high	96.6	Very high	163 Å²	163	63.1 Å²	63.1	71%	0.709	30%	0.297	S	S	*	.	H	α-helix	trans	-65.2	-40.5	178	179.6	-177.8	175.5	-176.1	0	112.8	K151 E152 L153	K151-K155 WeakPolarHBondContact O-CB 3.22Å; K151-K155 PolarHBondContact O-N 2.92Å; K151-K155 VanDerWaalsContact O-N 3.07Å; E152-K155 WeakPolarHBondContact O-CB 3.43Å; E152-K155 PolarHBondContact O-N 3.42Å; L153-K155 VanDerWaalsContact C-N 3.27Å; L153-K155 PolarHBondContact O-N 3.3Å
156	Y	96.8	Very high	96.8	Very high	122 Å²	122	61.5 Å²	61.5	48%	0.478	29%	0.286	S	S	.	.	H	α-helix	trans	-92.6	-10.8	-178	-71.8	-77.4	0	0	0	113.2	E152 L153 R158 F159	E152-Y156 HydrophobicContact CG-CD2 3.69Å; E152-Y156 HydrophobicContact CG-CE2 3.62Å; E152-Y156 VanDerWaalsContact O-CD2 3.24Å; E152-Y156 WeakPolarHBondContact O-CD2 3.28Å; E152-Y156 PolarHBondContact O-N 3.09Å; E152-Y156 VanDerWaalsContact O-N 3.1Å; E152-Y156 WeakPolarHBondContact OE1-CE2 3.45Å; L153-Y156 PolarHBondContact O-N 2.89Å; Y156-R158 WeakPolarHBondContact CB-O 3.33Å; Y156-R158 PolarHBondContact O-N 2.83Å; Y156-F159 HydrophobicContact CD2-CE1 4.14Å
157	G	96.9	Very high	96.9	Very high	42 Å²	42	55.8 Å²	55.8	43%	0.433	27%	0.265	S	S	.	.	S	Bend	trans	74.9	-49.1	-170.9	0	0	0	0	0	112.3	L153 G256	L153-G157 CarbonylContact O-C 3.49Å; L153-G157 WeakPolarHBondContact O-CA 3.45Å; L153-G157 PolarHBondContact O-N 2.85Å; G157-G256 WeakPolarHBondContact O-CA 3.42Å
158	R	97.3	Very high	97.1	Very high	125 Å²	125	54.5 Å²	54.5	47%	0.472	25%	0.251	S	S	.	.	S	Bend	trans	-150.4	167.2	173.8	64.9	170.9	-175.9	-150.3	4.9	111.1	Y156 C253 L254	Y156-R158 WeakPolarHBondContact CB-O 3.33Å; Y156-R158 PolarHBondContact O-N 2.83Å; R158-C253 CarbonylContact C-O 3.58Å; R158-L254 WeakPolarHBondContact CD-O 3.5Å
159	F	98.3	Very high	97.3	Very high	6 Å²	6	54.2 Å²	54.2	3%	0.026	25%	0.25	C	S	.	.			trans	-101.7	158.8	170.6	-59.4	-32.8	0	0	0	111.5	M149 E152 L153 Y156 R163 Y167 C253	M149-F159 HydrophobicContact CE-CD2 4.33Å; M149-F159 HydrophobicContact CE-CE2 3.8Å; M149-F159 HydrophobicContact CG-CE2 4.22Å; E152-F159 HydrophobicContact CB-CZ 4.22Å; E152-F159 HydrophobicContact CG-CE1 4.08Å; E152-F159 HydrophobicContact CG-CZ 4.17Å; L153-F159 VanDerWaalsContact CA-CZ 3.49Å; L153-F159 HydrophobicContact CB-CE1 4.39Å; L153-F159 HydrophobicContact CB-CE2 4.07Å; L153-F159 HydrophobicContact CB-CZ 3.76Å; L153-F159 HydrophobicContact CD1-CD1 4.3Å; L153-F159 HydrophobicContact CD1-CD2 4Å; L153-F159 HydrophobicContact CD1-CE1 4.23Å; L153-F159 HydrophobicContact CD1-CE2 3.91Å; L153-F159 HydrophobicContact CD1-CG 4.2Å; L153-F159 HydrophobicContact CD1-CZ 4.04Å; Y156-F159 HydrophobicContact CD2-CE1 4.14Å; F159-R163 HydrophobicContact CB-CB 4.31Å; F159-R163 HydrophobicContact CB-CG 4.44Å; F159-R163 HydrophobicContact CG-CG 4.37Å; F159-Y167 HydrophobicContact CD2-CD2 4.29Å; F159-Y167 AromaticContact CD2-CE2 3.98Å; F159-Y167 HydrophobicContact CD2-CE2 3.98Å; F159-Y167 HydrophobicContact CE2-CD2 4.35Å; F159-Y167 AromaticContact CE2-CE2 3.78Å; F159-Y167 HydrophobicContact CE2-CE2 3.78Å; F159-Y167 HydrophobicContact CZ-CE2 4.45Å; F159-C253 HydrophobicContact CB-CB 4.5Å; F159-C253 HydrophobicContact CD2-CB 4.01Å; F159-C253 PolarHBondContact N-O 2.95Å
160	D	98.2	Very high	97.4	Very high	89 Å²	89	54.4 Å²	54.4	48%	0.476	25%	0.251	S	S	.	.			trans	-83.7	173	173.6	60.8	8.3	0	0	0	111.4	Q162 R163 T164	D160-Q162 VanDerWaalsContact C-N 3.28Å; D160-Q162 PolarHBondContact O-N 2.9Å; D160-R163 PolarHBondContact O-N 2.84Å; D160-R163 WeakPolarHBondContact OD1-CB 3.28Å; D160-R163 PolarHBondContact OD1-N 3.38Å; D160-T164 WeakPolarHBondContact O-CB 3.32Å; D160-T164 PolarHBondContact O-N 3.29Å; D160-T164 PolarHBondContact O-OG1 3.33Å
161	D	98.3	Very high	97.6	Very high	40 Å²	40	50.6 Å²	50.6	21%	0.214	24%	0.236	C	C	.	.	H	α-helix	trans	-59.3	-40.5	178.8	-79.4	23.4	0	0	0	111.4	A165 L254 S284 W313	D161-A165 WeakPolarHBondContact O-CB 3.38Å; D161-A165 PolarHBondContact O-N 3.19Å; D161-L254 WeakPolarHBondContact OD1-CD2 3.19Å; D161-S284 WeakPolarHBondContact OD2-CB 3.25Å; D161-S284 PolarHBondContact OD2-OG 2.86Å; D161-W313 HydrophobicContact CB-CZ2 3.82Å; D161-W313 PolarHBondContact OD2-NE1 3.07Å
162	Q	98.5	Very high	97.9	Very high	94 Å²	94	45 Å²	45	44%	0.439	21%	0.212	S	C	.	.	H	α-helix	trans	-61.1	-52.7	-178.9	-169.3	-175.2	-95.6	0	0	111.8	D160 T166 N317 R319	D160-Q162 VanDerWaalsContact C-N 3.28Å; D160-Q162 PolarHBondContact O-N 2.9Å; Q162-T166 WeakPolarHBondContact O-CB 3.4Å; Q162-T166 PolarHBondContact O-N 3.11Å; Q162-T166 PolarHBondContact O-OG1 3.19Å; Q162-N317 WeakPolarHBondContact CA-O 3.38Å; Q162-N317 VanDerWaalsContact CG-O 3.25Å; Q162-N317 WeakPolarHBondContact CG-O 3.45Å; Q162-R319 VanDerWaalsContact CD-CG 3.48Å; Q162-R319 HydrophobicContact CG-CB 4.48Å; Q162-R319 HydrophobicContact CG-CG 3.58Å
163	R	98.3	Very high	98	Very high	64 Å²	64	46 Å²	46	24%	0.242	22%	0.218	C	C	.	.	H	α-helix	trans	-67.4	-43.3	-178.9	-172.6	-173.3	-61.1	-154.9	-5.3	111	E152 F159 D160 T166 Y167	E152-R163 IonicContact OE1-CZ 3.24Å; E152-R163 IonicContact OE1-NH1 3.89Å; E152-R163 PolarHBondContact OE1-NH1 2.89Å; E152-R163 IonicContact OE1-NH2 2.9Å; F159-R163 HydrophobicContact CB-CB 4.31Å; F159-R163 HydrophobicContact CB-CG 4.44Å; F159-R163 HydrophobicContact CG-CG 4.37Å; D160-R163 PolarHBondContact O-N 2.84Å; D160-R163 WeakPolarHBondContact OD1-CB 3.28Å; D160-R163 PolarHBondContact OD1-N 3.38Å; R163-T166 WeakPolarHBondContact O-CB 3.42Å; R163-T166 PolarHBondContact O-N 2.95Å; R163-Y167 HydrophobicContact CG-CD2 4.18Å; R163-Y167 HydrophobicContact CG-CE2 3.64Å; R163-Y167 PolarHBondContact O-N 2.85Å
164	T	98.7	Very high	98	Very high	1 Å²	1	46 Å²	46	1%	0.006	22%	0.218	C	C	.	.	H	α-helix	trans	-63.5	-47.9	179.4	-53.7	0	0	0	0	111.2	D160 T166 Y167 M168 C253 L254 W313	D160-T164 WeakPolarHBondContact O-CB 3.32Å; D160-T164 PolarHBondContact O-N 3.29Å; D160-T164 PolarHBondContact O-OG1 3.33Å; T164-T166 VanDerWaalsContact C-N 3.26Å; T164-T166 PolarHBondContact O-N 3.33Å; T164-Y167 PolarHBondContact O-N 2.74Å; T164-M168 HydrophobicContact CG2-CG 4.32Å; T164-M168 VanDerWaalsContact O-CG 3.3Å; T164-M168 WeakPolarHBondContact O-CG 3.43Å; T164-M168 PolarHBondContact O-N 2.93Å; T164-C253 HydrophobicContact CG2-CB 3.57Å; T164-L254 HydrophobicContact CG2-CD1 4.43Å; T164-L254 HydrophobicContact CG2-CD2 4.18Å; T164-L254 HydrophobicContact CG2-CG 3.98Å; T164-L254 WeakPolarHBondContact OG1-CD2 3.5Å; T164-W313 HydrophobicContact CG2-CH2 3.95Å
165	A	98.8	Very high	98.2	Very high	0 Å²	0	41.2 Å²	41.2	0%	0	20%	0.195	C	C	.	.	H	α-helix	trans	-59.4	-38.3	176.9	0	0	0	0	0	112.3	D161 M168 E169 W313 N317	D161-A165 WeakPolarHBondContact O-CB 3.38Å; D161-A165 PolarHBondContact O-N 3.19Å; A165-M168 PolarHBondContact O-N 2.73Å; A165-E169 PolarHBondContact O-N 3.48Å; A165-W313 HydrophobicContact CB-CE3 4.22Å; A165-W313 HydrophobicContact CB-CH2 3.97Å; A165-W313 HydrophobicContact CB-CZ2 4.45Å; A165-W313 HydrophobicContact CB-CZ3 3.83Å; A165-N317 HydrophobicContact CB-CB 3.52Å
166	T	98.8	Very high	98.3	Very high	19 Å²	19	35.2 Å²	35.2	12%	0.117	17%	0.17	C	C	.	.	H	α-helix	trans	-61.9	-47.5	175.4	-56.2	0	0	0	0	111.4	Q162 R163 T164 M168 E169 E170 S318 R319 R320	Q162-T166 WeakPolarHBondContact O-CB 3.4Å; Q162-T166 PolarHBondContact O-N 3.11Å; Q162-T166 PolarHBondContact O-OG1 3.19Å; R163-T166 WeakPolarHBondContact O-CB 3.42Å; R163-T166 PolarHBondContact O-N 2.95Å; T164-T166 VanDerWaalsContact C-N 3.26Å; T164-T166 PolarHBondContact O-N 3.33Å; T166-M168 VanDerWaalsContact C-N 3.33Å; T166-M168 PolarHBondContact O-N 2.86Å; T166-E169 PolarHBondContact O-N 3.23Å; T166-E170 WeakPolarHBondContact O-CG 3.19Å; T166-E170 PolarHBondContact O-N 3.17Å; T166-S318 WeakPolarHBondContact CA-OG 3.35Å; T166-R319 PolarHBondContact OG1-N 3.09Å; T166-R320 HydrophobicContact CG2-CB 4.21Å
167	Y	98.8	Very high	98.3	Very high	10 Å²	10	31.4 Å²	31.4	4%	0.039	16%	0.155	C	C	.	.	H	α-helix	trans	-64.2	-36.8	175.6	-66.5	-24.5	0	0	0	112.8	M149 F159 R163 T164 E169 E170 I171 L195 G199 L201	M149-Y167 HydrophobicContact CE-CD2 3.63Å; M149-Y167 HydrophobicContact CE-CE2 3.98Å; M149-Y167 HydrophobicContact CE-CG 4.49Å; M149-Y167 HydrophobicContact SD-CD2 4.36Å; M149-Y167 HydrophobicContact SD-CE2 4.46Å; F159-Y167 HydrophobicContact CD2-CD2 4.29Å; F159-Y167 AromaticContact CD2-CE2 3.98Å; F159-Y167 HydrophobicContact CD2-CE2 3.98Å; F159-Y167 HydrophobicContact CE2-CD2 4.35Å; F159-Y167 AromaticContact CE2-CE2 3.78Å; F159-Y167 HydrophobicContact CE2-CE2 3.78Å; F159-Y167 HydrophobicContact CZ-CE2 4.45Å; R163-Y167 HydrophobicContact CG-CD2 4.18Å; R163-Y167 HydrophobicContact CG-CE2 3.64Å; R163-Y167 PolarHBondContact O-N 2.85Å; T164-Y167 PolarHBondContact O-N 2.74Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; Y167-E170 PolarHBondContact O-N 3.26Å; Y167-I171 WeakPolarHBondContact O-CB 3.42Å; Y167-I171 WeakPolarHBondContact O-CG2 3.41Å; Y167-I171 PolarHBondContact O-N 2.84Å; Y167-L195 HydrophobicContact CE1-CD2 3.82Å; Y167-L195 WeakPolarHBondContact OH-CD2 3.22Å; Y167-G199 WeakPolarHBondContact CE1-O 3.45Å; Y167-L201 HydrophobicContact CD1-CB 3.97Å; Y167-L201 HydrophobicContact CD1-CD1 4.21Å; Y167-L201 HydrophobicContact CE1-CB 4.41Å; Y167-L201 HydrophobicContact CG-CD1 4.14Å
168	M	98.8	Very high	98.3	Very high	2 Å²	2	29.4 Å²	29.4	1%	0.01	14%	0.135	C	C	.	.	H	α-helix	trans	-63.8	-38.9	176	-70.2	-52.1	-61.7	0	0	112.3	T164 A165 T166 S172 I246 C250 L294 V308 V314	T164-M168 HydrophobicContact CG2-CG 4.32Å; T164-M168 VanDerWaalsContact O-CG 3.3Å; T164-M168 WeakPolarHBondContact O-CG 3.43Å; T164-M168 PolarHBondContact O-N 2.93Å; A165-M168 PolarHBondContact O-N 2.73Å; T166-M168 VanDerWaalsContact C-N 3.33Å; T166-M168 PolarHBondContact O-N 2.86Å; M168-S172 WeakPolarHBondContact O-CB 3.38Å; M168-S172 PolarHBondContact O-N 2.89Å; M168-S172 VanDerWaalsContact O-N 3.16Å; M168-S172 PolarHBondContact O-OG 3.18Å; M168-I246 HydrophobicContact CE-CB 3.88Å; M168-I246 HydrophobicContact CE-CD1 4.07Å; M168-I246 HydrophobicContact CE-CG1 4.11Å; M168-I246 WeakPolarHBondContact CE-O 3.5Å; M168-C250 HydrophobicContact CE-CB 4.02Å; M168-C250 HydrophobicContact CG-CB 4.24Å; M168-C250 HydrophobicContact SD-CB 3.59Å; M168-C250 VanDerWaalsContact SD-CB 3.59Å; M168-L294 HydrophobicContact CE-CD1 4.02Å; M168-V308 HydrophobicContact CE-CG1 4.09Å; M168-V314 HydrophobicContact CB-CG2 4.4Å
169	E	98.8	Very high	98.2	Very high	42 Å²	42	25 Å²	25	20%	0.196	12%	0.119	C	C	.	.	H	α-helix	trans	-64.8	-50.3	172.8	-169.8	-174	157	0	0	111.3	A165 T166 Y167 I171 S172 D173 I309 V314 S318 R320	A165-E169 PolarHBondContact O-N 3.48Å; T166-E169 PolarHBondContact O-N 3.23Å; Y167-E169 VanDerWaalsContact C-N 3.34Å; E169-I171 PolarHBondContact O-N 3.48Å; E169-S172 PolarHBondContact O-N 2.94Å; E169-D173 PolarHBondContact O-N 3.31Å; E169-I309 HydrophobicContact CG-CG1 4.45Å; E169-I309 HydrophobicContact CG-CG2 4.21Å; E169-V314 HydrophobicContact CB-CG1 3.98Å; E169-S318 WeakPolarHBondContact OE2-CB 3.49Å; E169-S318 PolarHBondContact OE2-OG 2.9Å; E169-R320 VanDerWaalsContact CD-CD 3.43Å; E169-R320 VanDerWaalsContact OE1-CD 3.23Å; E169-R320 WeakPolarHBondContact OE1-CD 3.4Å; E169-R320 IonicContact OE1-NH1 2.98Å; E169-R320 WeakPolarHBondContact OE2-CB 3.35Å
170	E	98.7	Very high	98.1	Very high	4 Å²	4	31.3 Å²	31.3	2%	0.019	15%	0.149	C	C	.	.	H	α-helix	trans	-61.4	-44.9	-177.3	-74.5	-176	140.4	0	0	113.5	N123 T166 Y167 A174 E200 L201 R320	N123-E170 HydrophobicContact CB-CB 4.34Å; N123-E170 VanDerWaalsContact ND2-CD 3.28Å; N123-E170 WeakPolarHBondContact ND2-CG 3.32Å; N123-E170 PolarHBondContact ND2-OE1 2.97Å; T166-E170 WeakPolarHBondContact O-CG 3.19Å; T166-E170 PolarHBondContact O-N 3.17Å; Y167-E170 PolarHBondContact O-N 3.26Å; E170-A174 WeakPolarHBondContact O-CB 3.47Å; E170-A174 PolarHBondContact O-N 3.14Å; E170-A174 VanDerWaalsContact O-N 3.12Å; E170-E200 WeakPolarHBondContact OE1-CA 3.47Å; E170-E200 WeakPolarHBondContact OE1-CB 3.48Å; E170-L201 HydrophobicContact CB-CB 4.15Å; E170-L201 WeakPolarHBondContact OE2-CB 3.47Å; E170-L201 PolarHBondContact OE2-N 3.03Å; E170-R320 HydrophobicContact CG-CG 3.76Å
171	I	98.6	Very high	97.9	Very high	0 Å²	0	31.4 Å²	31.4	0%	0	15%	0.145	C	C	.	.	H	α-helix	trans	-72.7	-35.5	-179.3	-158.5	166.8	0	0	0	111.5	Y167 E169 A174 L175 I188 L193 L201 I203 I246 L249	Y167-I171 WeakPolarHBondContact O-CB 3.42Å; Y167-I171 WeakPolarHBondContact O-CG2 3.41Å; Y167-I171 PolarHBondContact O-N 2.84Å; E169-I171 PolarHBondContact O-N 3.48Å; I171-A174 PolarHBondContact O-N 2.86Å; I171-L175 HydrophobicContact CG1-CD1 4.2Å; I171-L175 HydrophobicContact CG1-CG 4.48Å; I171-L175 WeakPolarHBondContact O-CB 3.34Å; I171-L175 VanDerWaalsContact O-CG 3.28Å; I171-L175 WeakPolarHBondContact O-CG 3.39Å; I171-L175 PolarHBondContact O-N 3.07Å; I171-I188 HydrophobicContact CD1-CD1 4.26Å; I171-I188 HydrophobicContact CD1-CG2 3.57Å; I171-L193 HydrophobicContact CD1-CD1 3.98Å; I171-L193 HydrophobicContact CD1-CD2 3.87Å; I171-L201 HydrophobicContact CB-CD1 4.33Å; I171-L201 HydrophobicContact CB-CD2 4.06Å; I171-L201 HydrophobicContact CD1-CD1 4.4Å; I171-L201 HydrophobicContact CD1-CD2 4.48Å; I171-L201 HydrophobicContact CG1-CD2 4.17Å; I171-I203 HydrophobicContact CG1-CD1 4.19Å; I171-I203 HydrophobicContact CG1-CG1 4.48Å; I171-I246 HydrophobicContact CD1-CG2 4.05Å; I171-I246 HydrophobicContact CG1-CG2 4.24Å; I171-I246 HydrophobicContact CG2-CB 4.46Å; I171-I246 HydrophobicContact CG2-CG2 3.91Å; I171-L249 HydrophobicContact CD1-CD2 3.56Å
172	S	98.7	Very high	97.6	Very high	0 Å²	0	35 Å²	35	0%	0	16%	0.159	C	C	.	.	H	α-helix	trans	-66.3	-42.7	178	-61.1	0	0	0	0	111.1	M168 E169 L175 M176 V308	M168-S172 WeakPolarHBondContact O-CB 3.38Å; M168-S172 PolarHBondContact O-N 2.89Å; M168-S172 VanDerWaalsContact O-N 3.16Å; M168-S172 PolarHBondContact O-OG 3.18Å; E169-S172 PolarHBondContact O-N 2.94Å; S172-L175 PolarHBondContact O-N 2.73Å; S172-M176 WeakPolarHBondContact O-CG 3.5Å; S172-M176 PolarHBondContact O-N 3.34Å; S172-V308 VanDerWaalsContact OG-CG1 3.24Å; S172-V308 WeakPolarHBondContact OG-CG1 3.19Å
173	D	98.6	Very high	97.3	Very high	43 Å²	43	30.8 Å²	30.8	23%	0.23	14%	0.14	C	C	.	.	H	α-helix	trans	-63.3	-44.5	175.7	-169.9	23.7	0	0	0	111.7	H121 E169 L175 M176 Y177 I309 R320	H121-D173 IonicContact CE1-OD2 2.75Å; H121-D173 IonicContact NE2-OD1 3.33Å; H121-D173 IonicContact NE2-OD2 3.64Å; H121-D173 PolarHBondContact NE2-OD2 2.85Å; E169-D173 PolarHBondContact O-N 3.31Å; D173-L175 VanDerWaalsContact C-N 3.35Å; D173-L175 PolarHBondContact O-N 3.38Å; D173-M176 PolarHBondContact O-N 2.93Å; D173-Y177 PolarHBondContact O-N 3.38Å; D173-Y177 VanDerWaalsContact O-N 3.09Å; D173-I309 HydrophobicContact CB-CD1 4.15Å; D173-R320 IonicContact OD2-CZ 2.76Å; D173-R320 IonicContact OD2-NH1 3.79Å; D173-R320 PolarHBondContact OD2-NH1 2.95Å; D173-R320 IonicContact OD2-NH2 3.15Å; D173-R320 PolarHBondContact OD2-NH2 2.93Å
174	A	98.3	Very high	97	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-60.9	-41.7	175.4	0	0	0	0	0	113	H121 N123 I124 E170 I171 Y177 C178 I203	H121-A174 VanDerWaalsContact CE1-CA 3.48Å; H121-A174 WeakPolarHBondContact CE1-CA 3.4Å; H121-A174 PolarHBondContact CE1-N 3.25Å; N123-A174 HydrophobicContact CB-CB 4.04Å; I124-A174 HydrophobicContact CD1-CB 4.48Å; I124-A174 HydrophobicContact CG1-CB 3.98Å; E170-A174 WeakPolarHBondContact O-CB 3.47Å; E170-A174 PolarHBondContact O-N 3.14Å; E170-A174 VanDerWaalsContact O-N 3.12Å; I171-A174 PolarHBondContact O-N 2.86Å; A174-Y177 PolarHBondContact O-N 3.48Å; A174-C178 PolarHBondContact O-N 2.98Å; A174-C178 PolarHBondContact O-SG 3.48Å; A174-C178 VanDerWaalsContact O-SG 3.38Å; A174-I203 HydrophobicContact CB-CD1 3.65Å; A174-I203 HydrophobicContact CB-CG1 4.43Å
175	L	98.1	Very high	96.7	Very high	0 Å²	0	28.4 Å²	28.4	0%	0	13%	0.131	C	C	.	.	H	α-helix	trans	-70.9	-35.4	178.6	-73.6	171.8	0	0	0	112	I171 S172 D173 Y177 C178 H179 H185 I188 I203 D242 I246 L305	I171-L175 HydrophobicContact CG1-CD1 4.2Å; I171-L175 HydrophobicContact CG1-CG 4.48Å; I171-L175 WeakPolarHBondContact O-CB 3.34Å; I171-L175 VanDerWaalsContact O-CG 3.28Å; I171-L175 WeakPolarHBondContact O-CG 3.39Å; I171-L175 PolarHBondContact O-N 3.07Å; S172-L175 PolarHBondContact O-N 2.73Å; D173-L175 VanDerWaalsContact C-N 3.35Å; D173-L175 PolarHBondContact O-N 3.38Å; L175-Y177 VanDerWaalsContact C-N 3.35Å; L175-Y177 PolarHBondContact O-N 2.92Å; L175-C178 WeakPolarHBondContact O-CB 3.4Å; L175-C178 PolarHBondContact O-N 3.31Å; L175-H179 WeakPolarHBondContact O-CB 3.44Å; L175-H179 PolarHBondContact O-CD2 2.74Å; L175-H179 VanDerWaalsContact O-CG 3.22Å; L175-H179 PolarHBondContact O-N 2.84Å; L175-H185 HydrophobicContact CD2-CB 3.97Å; L175-I188 HydrophobicContact CD1-CG1 4.48Å; L175-I188 HydrophobicContact CD2-CD1 4.16Å; L175-I188 HydrophobicContact CD2-CG1 4.33Å; L175-I203 HydrophobicContact CD2-CD1 4.35Å; L175-I203 HydrophobicContact CG-CD1 4.4Å; L175-D242 HydrophobicContact CD1-CB 4.06Å; L175-D242 HydrophobicContact CD2-CB 4.09Å; L175-I246 HydrophobicContact CD1-CG2 3.53Å; L175-L305 HydrophobicContact CB-CD1 3.64Å; L175-L305 HydrophobicContact CB-CD2 4.26Å; L175-L305 HydrophobicContact CD1-CD2 4.36Å
176	M	97.9	Very high	96.2	Very high	36 Å²	36	29.3 Å²	29.3	18%	0.177	14%	0.135	C	C	.	.	H	α-helix	trans	-58	-49.8	172.2	-78.3	176	47.3	0	0	110.7	S172 D173 C178 H179 E180 L305 Q306 I309	S172-M176 WeakPolarHBondContact O-CG 3.5Å; S172-M176 PolarHBondContact O-N 3.34Å; D173-M176 PolarHBondContact O-N 2.93Å; M176-C178 VanDerWaalsContact C-N 3.29Å; M176-C178 PolarHBondContact O-N 2.87Å; M176-H179 PolarHBondContact O-N 3.38Å; M176-H179 VanDerWaalsContact O-N 3.11Å; M176-E180 WeakPolarHBondContact O-CG 3.1Å; M176-E180 PolarHBondContact O-N 3.15Å; M176-L305 HydrophobicContact CB-CD1 4.43Å; M176-L305 HydrophobicContact CG-CB 3.37Å; M176-L305 HydrophobicContact CG-CD1 3.74Å; M176-L305 HydrophobicContact CG-CG 4.21Å; M176-L305 HydrophobicContact SD-CB 3.92Å; M176-Q306 HydrophobicContact CE-CB 4.47Å; M176-Q306 VanDerWaalsContact CE-OE1 3.28Å; M176-Q306 HydrophobicContact SD-CB 4.17Å; M176-I309 HydrophobicContact SD-CD1 3.68Å
177	Y	97.8	Very high	95.7	Very high	42 Å²	42	28.7 Å²	28.7	17%	0.165	13%	0.131	C	C	.	.	H	α-helix	trans	-56.7	-41.5	175.2	173	-93.4	0	0	0	112.5	H118 L119 K120 H121 I124 D173 A174 L175 K181	H118-Y177 PolarHBondContact O-OH 3.32Å; L119-Y177 HydrophobicContact CB-CE1 4.1Å; L119-Y177 HydrophobicContact CD2-CD1 4.33Å; L119-Y177 HydrophobicContact CD2-CE1 3.66Å; L119-Y177 HydrophobicContact CG-CE1 4.46Å; K120-Y177 PolarHBondContact N-OH 3.29Å; H121-Y177 HydrophobicContact CB-CD1 3.88Å; H121-Y177 HydrophobicContact CB-CE1 4.17Å; H121-Y177 HydrophobicContact CB-CG 4.17Å; I124-Y177 HydrophobicContact CD1-CD1 3.77Å; I124-Y177 HydrophobicContact CD1-CE1 4.2Å; D173-Y177 PolarHBondContact O-N 3.38Å; D173-Y177 VanDerWaalsContact O-N 3.09Å; A174-Y177 PolarHBondContact O-N 3.48Å; L175-Y177 VanDerWaalsContact C-N 3.35Å; L175-Y177 PolarHBondContact O-N 2.92Å; Y177-K181 HydrophobicContact CE1-CD 3.97Å; Y177-K181 HydrophobicContact CE2-CD 4.34Å; Y177-K181 PolarHBondContact O-N 3.15Å; Y177-K181 WeakPolarHBondContact OH-CE 3.09Å
178	C	96.3	Very high	95.6	Very high	0 Å²	0	28.2 Å²	28.2	0%	0	13%	0.129	C	C	.	.	H	α-helix	trans	-62.7	-47	174.4	-74.2	0	0	0	0	112	I124 A174 L175 M176 E180 K181 K182 V183	I124-C178 VanDerWaalsContact CD1-SG 3.54Å; A174-C178 PolarHBondContact O-N 2.98Å; A174-C178 PolarHBondContact O-SG 3.48Å; A174-C178 VanDerWaalsContact O-SG 3.38Å; L175-C178 WeakPolarHBondContact O-CB 3.4Å; L175-C178 PolarHBondContact O-N 3.31Å; M176-C178 VanDerWaalsContact C-N 3.29Å; M176-C178 PolarHBondContact O-N 2.87Å; C178-E180 PolarHBondContact O-N 2.77Å; C178-K181 CarbonylContact O-C 3.54Å; C178-K181 VanDerWaalsContact O-C 3.31Å; C178-K181 WeakPolarHBondContact O-CA 3.42Å; C178-K181 WeakPolarHBondContact O-CB 3.25Å; C178-K181 PolarHBondContact O-N 3.14Å; C178-K182 PolarHBondContact O-N 3.17Å; C178-V183 CarbonylContact C-O 3.59Å; C178-V183 HydrophobicContact CB-CB 4.17Å; C178-V183 HydrophobicContact CB-CG1 4.42Å; C178-V183 WeakPolarHBondContact O-CB 3.22Å; C178-V183 PolarHBondContact O-N 3.16Å
179	H	95.6	Very high	95.3	Very high	32 Å²	32	29.1 Å²	29.1	15%	0.148	13%	0.133	C	C	.	.	H	α-helix	trans	-67.2	-36.1	-176.4	-69.9	-169.2	0	0	0	112	L175 M176 K181 K182 V183 E239 D242	L175-H179 WeakPolarHBondContact O-CB 3.44Å; L175-H179 PolarHBondContact O-CD2 2.74Å; L175-H179 VanDerWaalsContact O-CG 3.22Å; L175-H179 PolarHBondContact O-N 2.84Å; M176-H179 PolarHBondContact O-N 3.38Å; M176-H179 VanDerWaalsContact O-N 3.11Å; H179-K181 PolarHBondContact O-N 3.04Å; H179-K182 WeakPolarHBondContact O-CA 2.88Å; H179-K182 PolarHBondContact O-N 3.02Å; H179-V183 PolarHBondContact CD2-O 3Å; H179-E239 PolarHBondContact CE1-O 2.86Å; H179-D242 IonicContact CD2-OD2 3.76Å; H179-D242 IonicContact CE1-OD2 2.93Å; H179-D242 IonicContact NE2-OD2 3.82Å; H179-D242 PolarHBondContact NE2-OD2 3.37Å
180	E	95.8	Very high	95.1	Very high	139 Å²	139	27.1 Å²	27.1	65%	0.65	12%	0.124	S	C	*	.	H	α-helix	trans	-57.9	-39.3	169.8	-74.9	177.2	-179.6	0	0	111.7	M176 C178 K182	M176-E180 WeakPolarHBondContact O-CG 3.1Å; M176-E180 PolarHBondContact O-N 3.15Å; C178-E180 PolarHBondContact O-N 2.77Å; E180-K182 PolarHBondContact O-N 2.88Å
181	K	93.6	Very high	94.7	Very high	91 Å²	91	30.4 Å²	30.4	40%	0.396	14%	0.139	S	C	.	.	T	Hydrogen-bonded Turn	trans	-82.3	10.9	174	-69	-168.9	171.7	-60.2	0	114.1	L119 Y177 C178 H179 V183 H211	L119-K181 HydrophobicContact CD2-CD 3.87Å; Y177-K181 HydrophobicContact CE1-CD 3.97Å; Y177-K181 HydrophobicContact CE2-CD 4.34Å; Y177-K181 PolarHBondContact O-N 3.15Å; Y177-K181 WeakPolarHBondContact OH-CE 3.09Å; C178-K181 CarbonylContact O-C 3.54Å; C178-K181 VanDerWaalsContact O-C 3.31Å; C178-K181 WeakPolarHBondContact O-CA 3.42Å; C178-K181 WeakPolarHBondContact O-CB 3.25Å; C178-K181 PolarHBondContact O-N 3.14Å; H179-K181 PolarHBondContact O-N 3.04Å; K181-V183 HydrophobicContact CB-CG2 4.33Å; K181-V183 PolarHBondContact O-N 3.44Å; K181-H211 PolarHBondContact O-CE1 3.19Å; K181-H211 PolarHBondContact O-ND1 3.39Å
182	K	91.9	Very high	94.5	Very high	117 Å²	117	31.1 Å²	31.1	51%	0.509	14%	0.142	S	C	.	.	T	Hydrogen-bonded Turn	trans	57.1	30.1	-178.4	-51.1	-57.9	-179.9	-171.6	0	113.3	C178 H179 E180 H211 A212	C178-K182 PolarHBondContact O-N 3.17Å; H179-K182 WeakPolarHBondContact O-CA 2.88Å; H179-K182 PolarHBondContact O-N 3.02Å; E180-K182 PolarHBondContact O-N 2.88Å; K182-H211 CarbonylContact O-C 3.46Å; K182-H211 WeakPolarHBondContact O-CA 3.3Å; K182-A212 PolarHBondContact O-N 2.65Å
183	V	91.9	Very high	94.4	Very high	5 Å²	5	31.1 Å²	31.1	3%	0.03	14%	0.142	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-100.2	125.6	173.8	177.3	0	0	0	0	108.7	I115 C178 H179 K181 F206 V210	I115-V183 HydrophobicContact CG2-CG1 3.78Å; I115-V183 HydrophobicContact CG2-CG2 3.97Å; C178-V183 CarbonylContact C-O 3.59Å; C178-V183 HydrophobicContact CB-CB 4.17Å; C178-V183 HydrophobicContact CB-CG1 4.42Å; C178-V183 WeakPolarHBondContact O-CB 3.22Å; C178-V183 PolarHBondContact O-N 3.16Å; H179-V183 PolarHBondContact CD2-O 3Å; K181-V183 HydrophobicContact CB-CG2 4.33Å; K181-V183 PolarHBondContact O-N 3.44Å; V183-F206 HydrophobicContact CG1-CD1 4.42Å; V183-F206 HydrophobicContact CG1-CE1 4.47Å; V183-V210 WeakPolarHBondContact CA-O 3.4Å
184	I	92.1	Very high	94.4	Very high	13 Å²	13	30.8 Å²	30.8	7%	0.067	14%	0.14	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.2	130.5	171.3	-49.8	170.6	0	0	0	107.7	R186 S209 V210 A212 E239 V241 D242	I184-R186 HydrophobicContact CB-CG 4.14Å; I184-R186 HydrophobicContact CG2-CG 3.51Å; I184-S209 WeakPolarHBondContact O-CA 3.31Å; I184-S209 WeakPolarHBondContact O-CB 3.48Å; I184-V210 HydrophobicContact CB-CG2 4.35Å; I184-V210 PolarHBondContact N-O 2.84Å; I184-V210 VanDerWaalsContact N-O 3.1Å; I184-V210 PolarHBondContact O-N 3.19Å; I184-A212 HydrophobicContact CD1-CB 3.82Å; I184-A212 HydrophobicContact CG1-CB 4.39Å; I184-E239 HydrophobicContact CD1-CB 4.26Å; I184-E239 HydrophobicContact CG1-CB 3.93Å; I184-V241 HydrophobicContact CG2-CG2 3.79Å; I184-D242 WeakPolarHBondContact CG2-OD2 3.32Å
185	H	92.7	Very high	94.4	Very high	2 Å²	2	30.8 Å²	30.8	1%	0.009	14%	0.14	C	C	.	.			trans	-76.1	-53.2	-174.1	-172.3	-86.1	0	0	0	112.5	L175 D187 I188 I203 D205 F206 W208 S209 D242	L175-H185 HydrophobicContact CD2-CB 3.97Å; H185-D187 VanDerWaalsContact C-N 3.26Å; H185-D187 VanDerWaalsContact CE1-C 3.49Å; H185-D187 PolarHBondContact CE1-O 3.25Å; H185-D187 VanDerWaalsContact CE1-O 3.25Å; H185-D187 VanDerWaalsContact ND1-C 3.33Å; H185-D187 PolarHBondContact ND1-N 3.3Å; H185-D187 PolarHBondContact O-N 3.06Å; H185-I188 HydrophobicContact CB-CD1 4.04Å; H185-I188 HydrophobicContact CB-CG1 4.1Å; H185-I188 VanDerWaalsContact CG-CD1 3.47Å; H185-I188 VanDerWaalsContact ND1-CD1 3.26Å; H185-I188 WeakPolarHBondContact ND1-CD1 3.35Å; H185-I188 WeakPolarHBondContact ND1-CG1 3.21Å; H185-I188 PolarHBondContact ND1-N 2.82Å; H185-I203 VanDerWaalsContact CD2-CG2 3.43Å; H185-I203 WeakPolarHBondContact CD2-CG2 3.42Å; H185-I203 WeakPolarHBondContact NE2-CG2 3.2Å; H185-D205 PolarHBondContact CE1-O 2.9Å; H185-D205 VanDerWaalsContact CE1-O 3.3Å; H185-D205 PolarHBondContact NE2-O 3.35Å; H185-F206 AromaticContact CD2-CE1 3.86Å; H185-W208 CarbonylContact O-C 3.51Å; H185-S209 WeakPolarHBondContact CA-OG 3.18Å; H185-S209 PolarHBondContact O-N 2.95Å; H185-S209 PolarHBondContact O-OG 3.24Å; H185-D242 PolarHBondContact N-OD1 2.78Å; H185-D242 PolarHBondContact N-OD2 3.24Å
186	R	89.1	Confident	94.3	Very high	18 Å²	18	30.9 Å²	30.9	7%	0.068	14%	0.141	C	C	.	.			trans	70.2	-7	175.4	-50.7	-168.7	-64.6	161.8	7.2	118.2	I184 W208 V210 H237 V241 D242	I184-R186 HydrophobicContact CB-CG 4.14Å; I184-R186 HydrophobicContact CG2-CG 3.51Å; R186-W208 PolarHBondContact NE-O 3.07Å; R186-W208 PolarHBondContact NH2-O 3.3Å; R186-V210 VanDerWaalsContact NH2-CG1 3.26Å; R186-H237 PolarHBondContact NH1-NE2 2.83Å; R186-V241 HydrophobicContact CG-CG2 4.06Å; R186-D242 PolarHBondContact N-OD1 3.43Å
187	D	88.7	Confident	94	Very high	6 Å²	6	36.6 Å²	36.6	3%	0.032	17%	0.166	C	C	.	.			trans	-136.9	48	177	-163.6	29.9	0	0	0	111.5	H185 K189 N192 W208	H185-D187 VanDerWaalsContact C-N 3.26Å; H185-D187 VanDerWaalsContact CE1-C 3.49Å; H185-D187 PolarHBondContact CE1-O 3.25Å; H185-D187 VanDerWaalsContact CE1-O 3.25Å; H185-D187 VanDerWaalsContact ND1-C 3.33Å; H185-D187 PolarHBondContact ND1-N 3.3Å; H185-D187 PolarHBondContact O-N 3.06Å; D187-K189 VanDerWaalsContact CG-NZ 3.26Å; D187-K189 PolarHBondContact O-N 3.34Å; D187-K189 IonicContact OD1-NZ 3.71Å; D187-K189 PolarHBondContact OD1-NZ 2.88Å; D187-K189 IonicContact OD2-NZ 2.87Å; D187-K189 PolarHBondContact OD2-NZ 3.13Å; D187-N192 PolarHBondContact O-ND2 3.45Å; D187-N192 PolarHBondContact OD2-ND2 3.27Å; D187-W208 HydrophobicContact CB-CB 4.05Å; D187-W208 HydrophobicContact CB-CG 4.18Å; D187-W208 VanDerWaalsContact OD2-CD1 3.3Å
188	I	95.3	Very high	93.8	Very high	0 Å²	0	40 Å²	40	0%	0	18%	0.178	C	C	.	.			trans	-74.7	120.4	174.6	-65.2	-65.3	0	0	0	108.8	I171 L175 H185 I203 Y226 C245 I246 L249	I171-I188 HydrophobicContact CD1-CD1 4.26Å; I171-I188 HydrophobicContact CD1-CG2 3.57Å; L175-I188 HydrophobicContact CD1-CG1 4.48Å; L175-I188 HydrophobicContact CD2-CD1 4.16Å; L175-I188 HydrophobicContact CD2-CG1 4.33Å; H185-I188 HydrophobicContact CB-CD1 4.04Å; H185-I188 HydrophobicContact CB-CG1 4.1Å; H185-I188 VanDerWaalsContact CG-CD1 3.47Å; H185-I188 VanDerWaalsContact ND1-CD1 3.26Å; H185-I188 WeakPolarHBondContact ND1-CD1 3.35Å; H185-I188 WeakPolarHBondContact ND1-CG1 3.21Å; H185-I188 PolarHBondContact ND1-N 2.82Å; I188-I203 HydrophobicContact CD1-CD1 4.16Å; I188-I203 HydrophobicContact CD1-CG2 4.34Å; I188-Y226 WeakPolarHBondContact O-CD1 3.48Å; I188-Y226 WeakPolarHBondContact O-CE1 3.18Å; I188-C245 HydrophobicContact CB-CB 3.8Å; I188-C245 HydrophobicContact CG2-CB 4.32Å; I188-I246 HydrophobicContact CG2-CG2 4.15Å; I188-L249 HydrophobicContact CG2-CD2 4.16Å
189	K	92.9	Very high	93.7	Very high	22 Å²	22	40.6 Å²	40.6	10%	0.096	18%	0.184	C	C	.	.	S	Bend	trans	-166.3	160.2	178.1	61.2	-176	-177.7	-138.3	0	110.4	D187 E191 N192 L193 T223 Y226	D187-K189 VanDerWaalsContact CG-NZ 3.26Å; D187-K189 PolarHBondContact O-N 3.34Å; D187-K189 IonicContact OD1-NZ 3.71Å; D187-K189 PolarHBondContact OD1-NZ 2.88Å; D187-K189 IonicContact OD2-NZ 2.87Å; D187-K189 PolarHBondContact OD2-NZ 3.13Å; K189-E191 WeakPolarHBondContact CB-OE2 3.32Å; K189-E191 WeakPolarHBondContact CD-OE2 3.49Å; K189-E191 HydrophobicContact CG-CB 4.49Å; K189-E191 WeakPolarHBondContact CG-OE2 3.24Å; K189-E191 PolarHBondContact O-N 2.96Å; K189-E191 VanDerWaalsContact O-N 3.08Å; K189-N192 WeakPolarHBondContact CE-ND2 3.26Å; K189-N192 HydrophobicContact CG-CB 4.2Å; K189-N192 PolarHBondContact O-N 3.4Å; K189-L193 VanDerWaalsContact O-CG 3.32Å; K189-L193 WeakPolarHBondContact O-CG 3.47Å; K189-T223 WeakPolarHBondContact CD-OG1 3.35Å; K189-T223 WeakPolarHBondContact CE-OG1 3.39Å; K189-T223 PolarHBondContact NZ-OG1 3.18Å; K189-Y226 HydrophobicContact CB-CD1 4.3Å; K189-Y226 HydrophobicContact CB-CD2 4.22Å; K189-Y226 HydrophobicContact CB-CE1 4.17Å; K189-Y226 HydrophobicContact CB-CE2 4.1Å; K189-Y226 HydrophobicContact CB-CG 4.32Å
190	P	94.6	Very high	93.7	Very high	0 Å²	0	39.8 Å²	39.8	0%	0	18%	0.18	C	C	.	.	G	3₁₀ helix	trans	-55.3	-29.1	-174.7	-27.7	35.4	0	0	0	115.3	Y150 L153 N192 L193 Y226 L249	Y150-P190 HydrophobicContact CD2-CB 4.04Å; Y150-P190 HydrophobicContact CG-CB 4.43Å; Y150-P190 PolarHBondContact N-O 3.33Å; Y150-P190 VanDerWaalsContact N-O 3.13Å; L153-P190 HydrophobicContact CD2-CG 4.44Å; P190-N192 VanDerWaalsContact C-N 3.33Å; P190-L193 PolarHBondContact O-N 3.24Å; P190-Y226 VanDerWaalsContact CD-OH 3.26Å; P190-Y226 WeakPolarHBondContact CD-OH 3.42Å; P190-L249 HydrophobicContact CG-CD1 3.72Å
191	E	91.1	Very high	93.8	Very high	73 Å²	73	33.1 Å²	33.1	34%	0.341	15%	0.149	S	C	.	.	G	3₁₀ helix	trans	-72.4	-27.5	180	-55.5	94.4	136.4	0	0	112.7	Y150 K189 L193	Y150-E191 HydrophobicContact CD1-CG 4.36Å; Y150-E191 HydrophobicContact CD2-CG 4.16Å; Y150-E191 HydrophobicContact CG-CG 3.93Å; K189-E191 WeakPolarHBondContact CB-OE2 3.32Å; K189-E191 WeakPolarHBondContact CD-OE2 3.49Å; K189-E191 HydrophobicContact CG-CB 4.49Å; K189-E191 WeakPolarHBondContact CG-OE2 3.24Å; K189-E191 PolarHBondContact O-N 2.96Å; K189-E191 VanDerWaalsContact O-N 3.08Å; E191-L193 VanDerWaalsContact C-N 3.34Å
192	N	93.6	Very high	94	Very high	14 Å²	14	29.2 Å²	29.2	8%	0.075	13%	0.132	C	C	.	.	G	3₁₀ helix	trans	-94.1	4.4	179.3	-70.2	-12	0	0	0	112.7	D187 K189 P190 A204 D205	D187-N192 PolarHBondContact O-ND2 3.45Å; D187-N192 PolarHBondContact OD2-ND2 3.27Å; K189-N192 WeakPolarHBondContact CE-ND2 3.26Å; K189-N192 HydrophobicContact CG-CB 4.2Å; K189-N192 PolarHBondContact O-N 3.4Å; P190-N192 VanDerWaalsContact C-N 3.33Å; N192-A204 PolarHBondContact O-N 3.26Å; N192-D205 HydrophobicContact CB-CB 4.08Å
193	L	97.1	Very high	94.3	Very high	0 Å²	0	23.7 Å²	23.7	0%	0	11%	0.108	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-111.6	124.6	179.1	-59	170.7	0	0	0	108.6	M149 I171 K189 P190 E191 L201 I203 L249	M149-L193 HydrophobicContact CB-CB 3.95Å; M149-L193 WeakPolarHBondContact CB-O 3.41Å; M149-L193 PolarHBondContact N-O 3.48Å; M149-L193 HydrophobicContact SD-CB 3.91Å; M149-L193 HydrophobicContact SD-CD1 3.59Å; M149-L193 VanDerWaalsContact SD-CD1 3.59Å; M149-L193 HydrophobicContact SD-CG 4.4Å; I171-L193 HydrophobicContact CD1-CD1 3.98Å; I171-L193 HydrophobicContact CD1-CD2 3.87Å; K189-L193 VanDerWaalsContact O-CG 3.32Å; K189-L193 WeakPolarHBondContact O-CG 3.47Å; P190-L193 PolarHBondContact O-N 3.24Å; E191-L193 VanDerWaalsContact C-N 3.34Å; L193-L201 HydrophobicContact CD1-CD1 4.09Å; L193-L201 HydrophobicContact CD2-CD1 4.3Å; L193-L201 HydrophobicContact CD2-CD2 4.06Å; L193-L201 HydrophobicContact CD2-CG 4.29Å; L193-I203 HydrophobicContact CD2-CB 4.5Å; L193-I203 HydrophobicContact CD2-CG1 3.94Å; L193-L249 HydrophobicContact CD1-CD1 4Å; L193-L249 HydrophobicContact CD1-CD2 3.6Å; L193-L249 HydrophobicContact CD1-CG 4.47Å
194	L	97.6	Very high	94.2	Very high	36 Å²	36	24.2 Å²	24.2	19%	0.188	11%	0.113	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-106.9	164.6	174.2	-58.6	-179.8	0	0	0	110.4	L125 A144 G147 E148 L201 K202 A204	L125-L194 HydrophobicContact CD1-CD1 4.12Å; L125-L194 HydrophobicContact CD2-CD1 3.92Å; A144-L194 HydrophobicContact CB-CB 3.58Å; A144-L194 HydrophobicContact CB-CD1 3.93Å; A144-L194 HydrophobicContact CB-CG 4.37Å; G147-L194 CarbonylContact O-C 3.49Å; G147-L194 VanDerWaalsContact O-CA 3.22Å; G147-L194 WeakPolarHBondContact O-CA 3.14Å; E148-L194 HydrophobicContact CB-CD2 4.31Å; E148-L194 HydrophobicContact CG-CD2 3.76Å; L194-L201 CarbonylContact O-C 3.55Å; L194-K202 HydrophobicContact CB-CB 4.26Å; L194-K202 PolarHBondContact N-O 3.31Å; L194-K202 PolarHBondContact O-N 3.19Å; L194-A204 HydrophobicContact CD1-CB 3.63Å; L194-A204 HydrophobicContact CG-CB 3.65Å
195	L	97.8	Very high	93.7	Very high	0 Å²	0	25.9 Å²	25.9	0%	0	12%	0.122	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-120.1	125.7	-178.5	-61.2	176.3	0	0	0	110.7	A144 R146 G147 M149 E152 Y167	A144-L195 CarbonylContact C-O 3.56Å; A144-L195 WeakPolarHBondContact CB-O 3.43Å; R146-L195 HydrophobicContact CB-CB 3.6Å; R146-L195 WeakPolarHBondContact CB-O 3.42Å; R146-L195 PolarHBondContact N-O 3.12Å; R146-L195 VanDerWaalsContact N-O 3.14Å; G147-L195 PolarHBondContact O-N 2.92Å; M149-L195 HydrophobicContact CB-CD1 4.31Å; M149-L195 HydrophobicContact CB-CD2 4.41Å; M149-L195 HydrophobicContact CB-CG 4.24Å; E152-L195 HydrophobicContact CB-CD1 4.13Å; E152-L195 WeakPolarHBondContact OE2-CD1 3.46Å; Y167-L195 HydrophobicContact CE1-CD2 3.82Å; Y167-L195 WeakPolarHBondContact OH-CD2 3.22Å
196	G	95.9	Very high	93.2	Very high	2 Å²	2	25.9 Å²	25.9	2%	0.021	12%	0.122	C	C	.	.			trans	-73.1	-166.5	179.4	0	0	0	0	0	113.3	R146 G199 E200	R146-G196 VanDerWaalsContact CD-O 3.28Å; R146-G196 WeakPolarHBondContact CD-O 3.27Å; R146-G196 WeakPolarHBondContact CG-O 3.47Å; G196-G199 PolarHBondContact O-N 3.18Å; G196-E200 WeakPolarHBondContact CA-OE1 3.33Å; G196-E200 PolarHBondContact N-O 3.07Å
197	F	93.5	Very high	92.2	Very high	156 Å²	156	25.5 Å²	25.5	68%	0.684	12%	0.124	S	C	*	.	T	Hydrogen-bonded Turn	trans	-68.1	-43.3	-173	177.6	-102.7	0	0	0	113	P145 G199 E200	P145-F197 HydrophobicContact CG-CB 3.98Å; P145-F197 HydrophobicContact CG-CD2 4.3Å; F197-G199 PolarHBondContact O-N 3.1Å; F197-E200 PolarHBondContact N-OE1 3.43Å; F197-E200 PolarHBondContact N-OE2 3.14Å
198	R	92.3	Very high	91.3	Very high	115 Å²	115	29.9 Å²	29.9	43%	0.434	14%	0.14	S	C	.	.	T	Hydrogen-bonded Turn	trans	-86.6	3.9	177.1	-73.7	-176.4	-71	-84.1	-24.5	112.5	E200 P323	R198-E200 WeakPolarHBondContact CA-OE2 3.38Å; R198-E200 WeakPolarHBondContact CB-OE2 3.46Å; R198-E200 PolarHBondContact N-OE2 3.21Å; R198-P323 VanDerWaalsContact NH2-CA 3.31Å
199	G	94.7	Very high	90	Very high	11 Å²	11	30 Å²	30	11%	0.113	14%	0.14	C	C	.	.	S	Bend	trans	86.4	13	-173.8	0	0	0	0	0	113.4	Y167 G196 F197	Y167-G199 WeakPolarHBondContact CE1-O 3.45Å; G196-G199 PolarHBondContact O-N 3.18Å; F197-G199 PolarHBondContact O-N 3.1Å
200	E	96.4	Very high	88.8	Confident	15 Å²	15	29.4 Å²	29.4	7%	0.07	14%	0.139	C	C	.	.			trans	-64.6	137	173.2	70.3	-78.3	-169.3	0	0	111.2	E170 G196 F197 R198 P323	E170-E200 WeakPolarHBondContact OE1-CA 3.47Å; E170-E200 WeakPolarHBondContact OE1-CB 3.48Å; G196-E200 WeakPolarHBondContact CA-OE1 3.33Å; G196-E200 PolarHBondContact N-O 3.07Å; F197-E200 PolarHBondContact N-OE1 3.43Å; F197-E200 PolarHBondContact N-OE2 3.14Å; R198-E200 WeakPolarHBondContact CA-OE2 3.38Å; R198-E200 WeakPolarHBondContact CB-OE2 3.46Å; R198-E200 PolarHBondContact N-OE2 3.21Å; E200-P323 HydrophobicContact CG-CG 4.45Å
201	L	97.9	Very high	87.2	Confident	0 Å²	0	34.4 Å²	34.4	0%	0	16%	0.162	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69	141.8	-179.8	179.5	148.3	0	0	0	111.8	N123 M149 Y167 E170 I171 L193 L194 I203	N123-L201 WeakPolarHBondContact CA-O 3.45Å; N123-L201 VanDerWaalsContact CB-O 3.22Å; N123-L201 WeakPolarHBondContact CB-O 3.29Å; N123-L201 PolarHBondContact ND2-O 3.11Å; M149-L201 HydrophobicContact SD-CD1 4.21Å; Y167-L201 HydrophobicContact CD1-CB 3.97Å; Y167-L201 HydrophobicContact CD1-CD1 4.21Å; Y167-L201 HydrophobicContact CE1-CB 4.41Å; Y167-L201 HydrophobicContact CG-CD1 4.14Å; E170-L201 HydrophobicContact CB-CB 4.15Å; E170-L201 WeakPolarHBondContact OE2-CB 3.47Å; E170-L201 PolarHBondContact OE2-N 3.03Å; I171-L201 HydrophobicContact CB-CD1 4.33Å; I171-L201 HydrophobicContact CB-CD2 4.06Å; I171-L201 HydrophobicContact CD1-CD1 4.4Å; I171-L201 HydrophobicContact CD1-CD2 4.48Å; I171-L201 HydrophobicContact CG1-CD2 4.17Å; L193-L201 HydrophobicContact CD1-CD1 4.09Å; L193-L201 HydrophobicContact CD2-CD1 4.3Å; L193-L201 HydrophobicContact CD2-CD2 4.06Å; L193-L201 HydrophobicContact CD2-CG 4.29Å; L194-L201 CarbonylContact O-C 3.55Å; L201-I203 HydrophobicContact CD2-CG1 4.15Å
202	K	98	Very high	85.4	Confident	9 Å²	9	31.8 Å²	31.8	4%	0.039	15%	0.153	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133.7	114.2	178.1	-62.4	-71.9	-173.2	158.8	0	110.5	P122 N123 L125 E142 L194 A204	P122-K202 VanDerWaalsContact O-CD 3.31Å; P122-K202 WeakPolarHBondContact O-CD 3.46Å; P122-K202 WeakPolarHBondContact O-CE 3.39Å; P122-K202 PolarHBondContact O-NZ 3.34Å; N123-K202 WeakPolarHBondContact O-CA 3.12Å; L125-K202 HydrophobicContact CB-CB 4.36Å; L125-K202 HydrophobicContact CD1-CB 4.06Å; L125-K202 HydrophobicContact CD1-CG 4.36Å; E142-K202 WeakPolarHBondContact OE1-CE 3.49Å; E142-K202 IonicContact OE1-NZ 2.99Å; E142-K202 PolarHBondContact OE1-NZ 3.42Å; E142-K202 IonicContact OE2-NZ 2.65Å; E142-K202 PolarHBondContact OE2-NZ 3.26Å; L194-K202 HydrophobicContact CB-CB 4.26Å; L194-K202 PolarHBondContact N-O 3.31Å; L194-K202 PolarHBondContact O-N 3.19Å; K202-A204 PolarHBondContact O-N 3.03Å
203	I	97.4	Very high	83.1	Confident	0 Å²	0	35.2 Å²	35.2	0%	0	18%	0.176	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-69.6	119.8	170.5	-56.2	177.7	0	0	0	109.1	N123 I124 L125 I171 A174 L175 H185 I188 L193 L201 F206	N123-I203 PolarHBondContact O-N 3.28Å; I124-I203 HydrophobicContact CG1-CB 4.49Å; L125-I203 VanDerWaalsContact CB-O 3.28Å; L125-I203 WeakPolarHBondContact CB-O 3.27Å; L125-I203 PolarHBondContact N-O 2.95Å; I171-I203 HydrophobicContact CG1-CD1 4.19Å; I171-I203 HydrophobicContact CG1-CG1 4.48Å; A174-I203 HydrophobicContact CB-CD1 3.65Å; A174-I203 HydrophobicContact CB-CG1 4.43Å; L175-I203 HydrophobicContact CD2-CD1 4.35Å; L175-I203 HydrophobicContact CG-CD1 4.4Å; H185-I203 VanDerWaalsContact CD2-CG2 3.43Å; H185-I203 WeakPolarHBondContact CD2-CG2 3.42Å; H185-I203 WeakPolarHBondContact NE2-CG2 3.2Å; I188-I203 HydrophobicContact CD1-CD1 4.16Å; I188-I203 HydrophobicContact CD1-CG2 4.34Å; L193-I203 HydrophobicContact CD2-CB 4.5Å; L193-I203 HydrophobicContact CD2-CG1 3.94Å; L201-I203 HydrophobicContact CD2-CG1 4.15Å; I203-F206 HydrophobicContact CB-CE2 4.34Å; I203-F206 HydrophobicContact CB-CZ 4.31Å; I203-F206 HydrophobicContact CG2-CE2 3.74Å; I203-F206 HydrophobicContact CG2-CZ 3.72Å
204	A	89.9	Confident	80.5	Confident	17 Å²	17	40.2 Å²	40.2	14%	0.14	21%	0.211	C	C	.	.			trans	-111	-29.8	-168.3	0	0	0	0	0	115.8	L125 N192 L194 K202	L125-A204 HydrophobicContact CB-CB 4.18Å; L125-A204 HydrophobicContact CD2-CB 3.81Å; N192-A204 PolarHBondContact O-N 3.26Å; L194-A204 HydrophobicContact CD1-CB 3.63Å; L194-A204 HydrophobicContact CG-CB 3.65Å; K202-A204 PolarHBondContact O-N 3.03Å
205	D	81.3	Confident	77.9	Confident	48 Å²	48	43.7 Å²	43.7	26%	0.257	23%	0.229	S	C	.	.			trans	-115.5	102.5	-171.6	-165.8	-17.3	0	0	0	113	H185 N192 G207	H185-D205 PolarHBondContact CE1-O 2.9Å; H185-D205 VanDerWaalsContact CE1-O 3.3Å; H185-D205 PolarHBondContact NE2-O 3.35Å; N192-D205 HydrophobicContact CB-CB 4.08Å; D205-G207 WeakPolarHBondContact OD1-CA 3.35Å; D205-G207 PolarHBondContact OD1-N 3.45Å
206	F	82.2	Confident	75.6	Confident	1 Å²	1	53.1 Å²	53.1	0%	0.004	27%	0.265	C	S	.	.			trans	-95.8	16.2	176.5	-71.7	-99.8	0	0	0	112.9	E112 I115 Q116 L119 I124 V183 H185 I203 W208 S209	E112-F206 HydrophobicContact CG-CB 4.46Å; I115-F206 HydrophobicContact CG2-CD1 4.05Å; Q116-F206 HydrophobicContact CB-CD2 4.42Å; Q116-F206 HydrophobicContact CG-CD2 3.91Å; Q116-F206 HydrophobicContact CG-CE2 4.3Å; L119-F206 HydrophobicContact CD1-CD1 3.78Å; L119-F206 HydrophobicContact CD1-CE1 3.23Å; L119-F206 HydrophobicContact CD1-CE2 4.27Å; L119-F206 HydrophobicContact CD1-CG 4.5Å; L119-F206 HydrophobicContact CD1-CZ 3.53Å; I124-F206 HydrophobicContact CD1-CZ 4.34Å; I124-F206 HydrophobicContact CG1-CZ 4.43Å; I124-F206 HydrophobicContact CG2-CE2 3.71Å; I124-F206 HydrophobicContact CG2-CZ 3.7Å; V183-F206 HydrophobicContact CG1-CD1 4.42Å; V183-F206 HydrophobicContact CG1-CE1 4.47Å; H185-F206 AromaticContact CD2-CE1 3.86Å; I203-F206 HydrophobicContact CB-CE2 4.34Å; I203-F206 HydrophobicContact CB-CZ 4.31Å; I203-F206 HydrophobicContact CG2-CE2 3.74Å; I203-F206 HydrophobicContact CG2-CZ 3.72Å; F206-W208 PolarHBondContact O-N 3.18Å; F206-S209 WeakPolarHBondContact CA-OG 3.46Å; F206-S209 WeakPolarHBondContact CD1-OG 3.43Å; F206-S209 VanDerWaalsContact O-CB 3.29Å; F206-S209 WeakPolarHBondContact O-CB 3.19Å; F206-S209 PolarHBondContact O-N 3.1Å; F206-S209 PolarHBondContact O-OG 2.72Å
207	G	68.6	Low	73.5	Confident	10 Å²	10	57.5 Å²	57.5	10%	0.103	28%	0.281	C	S	.	.	T	Hydrogen-bonded Turn	trans	-59.8	-29.7	-177	0	0	0	0	0	113.4	Q108 D205	Q108-G207 WeakPolarHBondContact CG-O 3.49Å; Q108-G207 PolarHBondContact NE2-O 2.84Å; D205-G207 WeakPolarHBondContact OD1-CA 3.35Å; D205-G207 PolarHBondContact OD1-N 3.45Å
208	W	68.6	Low	71.2	Confident	99 Å²	99	60.4 Å²	60.4	38%	0.375	29%	0.287	S	S	.	.	T	Hydrogen-bonded Turn	trans	-97.9	-0.8	174.1	-64.9	105.9	0	0	0	113.7	H185 R186 D187 F206 C221	H185-W208 CarbonylContact O-C 3.51Å; R186-W208 PolarHBondContact NE-O 3.07Å; R186-W208 PolarHBondContact NH2-O 3.3Å; D187-W208 HydrophobicContact CB-CB 4.05Å; D187-W208 HydrophobicContact CB-CG 4.18Å; D187-W208 VanDerWaalsContact OD2-CD1 3.3Å; F206-W208 PolarHBondContact O-N 3.18Å; W208-C221 HydrophobicContact CD2-CB 3.8Å; W208-C221 HydrophobicContact CE3-CB 3.34Å; W208-C221 HydrophobicContact CG-CB 4.41Å; W208-C221 HydrophobicContact CH2-CB 4.32Å; W208-C221 HydrophobicContact CZ3-CB 3.64Å
209	S	68.1	Low	69	Low	1 Å²	1	58.8 Å²	58.8	1%	0.007	29%	0.29	C	S	.	.			trans	-72.5	150.7	-178.2	-55.9	0	0	0	0	112	R111 I184 H185 F206	R111-S209 WeakPolarHBondContact CD-O 3.33Å; I184-S209 WeakPolarHBondContact O-CA 3.31Å; I184-S209 WeakPolarHBondContact O-CB 3.48Å; H185-S209 WeakPolarHBondContact CA-OG 3.18Å; H185-S209 PolarHBondContact O-N 2.95Å; H185-S209 PolarHBondContact O-OG 3.24Å; F206-S209 WeakPolarHBondContact CA-OG 3.46Å; F206-S209 WeakPolarHBondContact CD1-OG 3.43Å; F206-S209 VanDerWaalsContact O-CB 3.29Å; F206-S209 WeakPolarHBondContact O-CB 3.19Å; F206-S209 PolarHBondContact O-N 3.1Å; F206-S209 PolarHBondContact O-OG 2.72Å
210	V	69	Low	66.7	Low	10 Å²	10	64 Å²	64	6%	0.061	31%	0.313	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-137.6	142.5	-179.8	-70.4	0	0	0	0	110.8	V183 I184 R186 A212	V183-V210 WeakPolarHBondContact CA-O 3.4Å; I184-V210 HydrophobicContact CB-CG2 4.35Å; I184-V210 PolarHBondContact N-O 2.84Å; I184-V210 VanDerWaalsContact N-O 3.1Å; I184-V210 PolarHBondContact O-N 3.19Å; R186-V210 VanDerWaalsContact NH2-CG1 3.26Å; V210-A212 HydrophobicContact CG2-CB 4.47Å
211	H	59.6	Low	64.5	Low	105 Å²	105	63.6 Å²	63.6	49%	0.486	31%	0.312	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-80.9	113.1	164.3	-157.2	76.5	0	0	0	108	K181 K182 P213	K181-H211 PolarHBondContact O-CE1 3.19Å; K181-H211 PolarHBondContact O-ND1 3.39Å; K182-H211 CarbonylContact O-C 3.46Å; K182-H211 WeakPolarHBondContact O-CA 3.3Å; H211-P213 WeakPolarHBondContact O-CD 3.46Å
212	A	54.1	Low	62.5	Low	19 Å²	19	65.2 Å²	65.2	16%	0.157	33%	0.329	C	S	.	.			trans	-122.1	71.2	-174.1	0	0	0	0	0	111.6	K182 I184 V210 S214	K182-A212 PolarHBondContact O-N 2.65Å; I184-A212 HydrophobicContact CD1-CB 3.82Å; I184-A212 HydrophobicContact CG1-CB 4.39Å; V210-A212 HydrophobicContact CG2-CB 4.47Å; A212-S214 VanDerWaalsContact C-N 3.28Å; A212-S214 PolarHBondContact O-N 2.87Å
213	P	45.5	Very low	61.1	Low	86 Å²	86	66.8 Å²	66.8	56%	0.558	34%	0.339	S	S	*	.	S	Bend	trans	-69.7	-18.7	178.7	24.5	-30.6	0	0	0	113.9	H211	H211-P213 WeakPolarHBondContact O-CD 3.46Å
214	S	43	Very low	60.3	Low	104 Å²	104	68 Å²	68	73%	0.727	35%	0.345	S	S	*	.	S	Bend	trans	-160.4	12.7	-175	59.8	0	0	0	0	119.1	A212	A212-S214 VanDerWaalsContact C-N 3.28Å; A212-S214 PolarHBondContact O-N 2.87Å
215	L	43.2	Very low	60.2	Low	109 Å²	109	68.5 Å²	68.5	57%	0.571	35%	0.345	S	S	*	.			trans	-135.6	117.4	-174.9	-83	151.3	0	0	0	113.8	R217	L215-R217 WeakPolarHBondContact O-CD 3.1Å; L215-R217 WeakPolarHBondContact O-CG 3.5Å; L215-R217 PolarHBondContact O-NE 2.82Å
216	R	48.1	Very low	60.9	Low	199 Å²	199	66.6 Å²	66.6	75%	0.751	34%	0.335	S	S	*	.			trans	-48.6	132.8	156.4	-87.5	-179.6	-176	-167.4	4	110.3	T236	R216-T236 HydrophobicContact CB-CG2 3.92Å; R216-T236 WeakPolarHBondContact CD-OG1 3.35Å
217	R	53.3	Low	61.3	Low	94 Å²	94	67 Å²	67	36%	0.355	34%	0.337	S	S	.	.	B	Isolated β-bridge	trans	-121	155.4	-168.4	-61.6	-57.7	-175.6	153	2.3	114.1	L215 T236 H237	L215-R217 WeakPolarHBondContact O-CD 3.1Å; L215-R217 WeakPolarHBondContact O-CG 3.5Å; L215-R217 PolarHBondContact O-NE 2.82Å; R217-T236 CarbonylContact O-C 3.6Å; R217-T236 WeakPolarHBondContact O-CA 3.32Å; R217-H237 WeakPolarHBondContact CB-NE2 3.5Å; R217-H237 PolarHBondContact N-O 3.27Å; R217-H237 PolarHBondContact O-CE1 3.43Å; R217-H237 PolarHBondContact O-N 3.17Å; R217-H237 PolarHBondContact O-ND1 2.91Å
218	R	43.6	Very low	62.6	Low	216 Å²	216	66.7 Å²	66.7	82%	0.815	33%	0.333	S	S	*	.			trans	-116.5	-0	-178	-66.7	-172.9	-179.9	-167.7	-0.9	115.6	M220 T236	R218-M220 PolarHBondContact O-N 2.73Å; R218-T236 HydrophobicContact CG-CG2 4.33Å
219	T	46	Very low	63.9	Low	81 Å²	81	62 Å²	62	50%	0.497	32%	0.315	S	S	.	.			trans	-75.8	123.7	-176.4	-49	0	0	0	0	111.6	H237	T219-H237 PolarHBondContact O-CE1 2.98Å; T219-H237 VanDerWaalsContact O-CE1 3.26Å
220	M	47.4	Very low	65.2	Low	120 Å²	120	62.2 Å²	62.2	59%	0.591	32%	0.316	S	S	*	.			trans	-76.3	119.9	170.9	-170	-172	-69.5	0	0	109.6	R218	R218-M220 PolarHBondContact O-N 2.73Å
221	C	50	Low	66.2	Low	8 Å²	8	62.2 Å²	62.2	5%	0.054	32%	0.315	C	S	.	.			trans	-152.9	147	176.7	56.4	0	0	0	0	110.4	W208 L227	W208-C221 HydrophobicContact CD2-CB 3.8Å; W208-C221 HydrophobicContact CE3-CB 3.34Å; W208-C221 HydrophobicContact CG-CB 4.41Å; W208-C221 HydrophobicContact CH2-CB 4.32Å; W208-C221 HydrophobicContact CZ3-CB 3.64Å; C221-L227 VanDerWaalsContact O-CD2 3.32Å; C221-L227 WeakPolarHBondContact O-CD2 3.24Å
222	G	56.6	Low	67.7	Low	34 Å²	34	59 Å²	59	35%	0.351	30%	0.302	S	S	.	.	S	Bend	trans	133.6	173.3	-179.3	0	0	0	0	0	112.8
223	T	68	Low	69.5	Low	41 Å²	41	61.5 Å²	61.5	25%	0.252	31%	0.31	S	S	.	.			trans	-78	140.3	163.3	-63.2	0	0	0	0	109.2	K189 D225 Y226 L227	K189-T223 WeakPolarHBondContact CD-OG1 3.35Å; K189-T223 WeakPolarHBondContact CE-OG1 3.39Å; K189-T223 PolarHBondContact NZ-OG1 3.18Å; T223-D225 VanDerWaalsContact C-N 3.26Å; T223-D225 PolarHBondContact O-N 3.08Å; T223-D225 VanDerWaalsContact O-N 3.14Å; T223-Y226 PolarHBondContact O-N 3.34Å; T223-L227 PolarHBondContact O-N 2.82Å
224	L	81	Confident	71.4	Confident	27 Å²	27	59.9 Å²	59.9	14%	0.141	31%	0.309	C	S	.	.	G	3₁₀ helix	trans	-49.5	-44	-171.5	179.4	136.6	0	0	0	113.4	Y226 L227 H265 T268 Y269	L224-Y226 PolarHBondContact O-N 3.38Å; L224-L227 PolarHBondContact O-N 3.38Å; L224-H265 HydrophobicContact CD1-CB 3.76Å; L224-H265 VanDerWaalsContact CD1-CG 3.49Å; L224-T268 HydrophobicContact CD2-CG2 3.37Å; L224-T268 HydrophobicContact CG-CG2 4.49Å; L224-Y269 HydrophobicContact CD1-CD1 4.48Å; L224-Y269 HydrophobicContact CD1-CE1 3.61Å; L224-Y269 HydrophobicContact CG-CE1 3.81Å
225	D	87.6	Confident	73.6	Confident	26 Å²	26	60 Å²	60	14%	0.139	30%	0.298	C	S	.	.	G	3₁₀ helix	trans	-73.3	-12	-176.3	-50.4	-76.1	0	0	0	114.1	T223 P258	T223-D225 VanDerWaalsContact C-N 3.26Å; T223-D225 PolarHBondContact O-N 3.08Å; T223-D225 VanDerWaalsContact O-N 3.14Å; D225-P258 HydrophobicContact CB-CB 3.75Å; D225-P258 HydrophobicContact CB-CG 3.87Å
226	Y	94.6	Very high	75.6	Confident	9 Å²	9	57.4 Å²	57.4	4%	0.035	29%	0.287	C	S	.	.	G	3₁₀ helix	trans	-105.4	-2.7	179.7	-81.7	-99.1	0	0	0	113.3	I188 K189 P190 T223 L224 C245 V248 L249 E252	I188-Y226 WeakPolarHBondContact O-CD1 3.48Å; I188-Y226 WeakPolarHBondContact O-CE1 3.18Å; K189-Y226 HydrophobicContact CB-CD1 4.3Å; K189-Y226 HydrophobicContact CB-CD2 4.22Å; K189-Y226 HydrophobicContact CB-CE1 4.17Å; K189-Y226 HydrophobicContact CB-CE2 4.1Å; K189-Y226 HydrophobicContact CB-CG 4.32Å; P190-Y226 VanDerWaalsContact CD-OH 3.26Å; P190-Y226 WeakPolarHBondContact CD-OH 3.42Å; T223-Y226 PolarHBondContact O-N 3.34Å; L224-Y226 PolarHBondContact O-N 3.38Å; Y226-C245 HydrophobicContact CD1-CB 4.17Å; Y226-C245 PolarHBondContact O-SG 2.8Å; Y226-V248 HydrophobicContact CD1-CB 3.84Å; Y226-V248 HydrophobicContact CD1-CG1 3.64Å; Y226-V248 HydrophobicContact CD2-CG1 3.96Å; Y226-V248 HydrophobicContact CE1-CB 3.77Å; Y226-V248 HydrophobicContact CE1-CG1 3.49Å; Y226-V248 VanDerWaalsContact CE1-CG1 3.49Å; Y226-V248 HydrophobicContact CE2-CG1 3.8Å; Y226-V248 HydrophobicContact CG-CB 4.46Å; Y226-V248 HydrophobicContact CG-CG1 3.88Å; Y226-L249 HydrophobicContact CE1-CB 4.18Å; Y226-E252 VanDerWaalsContact CE2-OE2 3.23Å; Y226-E252 WeakPolarHBondContact CE2-OE2 3.44Å; Y226-E252 PolarHBondContact OH-OE2 2.78Å
227	L	92.4	Very high	77.3	Confident	9 Å²	9	48.2 Å²	48.2	5%	0.047	25%	0.252	C	S	.	.			trans	-66.7	131.2	-179.9	-70.8	175.8	0	0	0	110.7	C221 T223 L224 M231 I232 W244 Y269 I272	C221-L227 VanDerWaalsContact O-CD2 3.32Å; C221-L227 WeakPolarHBondContact O-CD2 3.24Å; T223-L227 PolarHBondContact O-N 2.82Å; L224-L227 PolarHBondContact O-N 3.38Å; L227-M231 HydrophobicContact CD2-SD 4.14Å; L227-I232 HydrophobicContact CB-CD1 4.23Å; L227-I232 HydrophobicContact CB-CG1 4.1Å; L227-W244 PolarHBondContact O-NE1 3.31Å; L227-W244 VanDerWaalsContact O-NE1 3.15Å; L227-Y269 HydrophobicContact CD1-CE1 4.2Å; L227-I272 WeakPolarHBondContact O-CG2 3.18Å
228	P	95.1	Very high	79.1	Confident	3 Å²	3	45.6 Å²	45.6	2%	0.019	25%	0.248	C	C	.	.			trans	-79.3	155.4	174.3	34.9	-37.5	0	0	0	111.4	E230 M231 I232 V241 W244	P228-E230 VanDerWaalsContact C-N 3.3Å; P228-E230 WeakPolarHBondContact CB-OE2 3.49Å; P228-E230 PolarHBondContact O-N 3.49Å; P228-M231 VanDerWaalsContact CD-SD 3.58Å; P228-M231 HydrophobicContact CG-CB 4.05Å; P228-M231 HydrophobicContact CG-CG 3.75Å; P228-M231 HydrophobicContact CG-SD 3.76Å; P228-M231 PolarHBondContact O-N 3.25Å; P228-I232 PolarHBondContact O-N 2.88Å; P228-V241 HydrophobicContact CG-CB 4.03Å; P228-V241 HydrophobicContact CG-CG1 3.74Å; P228-W244 HydrophobicContact CB-CB 3.95Å; P228-W244 HydrophobicContact CB-CD2 4.12Å; P228-W244 HydrophobicContact CB-CG 3.65Å
229	P	96.3	Very high	81.5	Confident	0 Å²	0	38.7 Å²	38.7	0%	0	23%	0.226	C	C	.	.	H	α-helix	trans	-53.1	-42.8	-176.3	-28.5	36	0	0	0	114	M231 I232 E233 W244 I272	P229-M231 PolarHBondContact O-N 3.26Å; P229-I232 PolarHBondContact O-N 3.12Å; P229-I232 VanDerWaalsContact O-N 3.07Å; P229-E233 WeakPolarHBondContact O-CB 3.49Å; P229-E233 WeakPolarHBondContact O-CG 3.47Å; P229-E233 PolarHBondContact O-N 3.28Å; P229-W244 HydrophobicContact CG-CE3 4.39Å; P229-W244 HydrophobicContact CG-CH2 3.74Å; P229-W244 HydrophobicContact CG-CZ2 4.24Å; P229-W244 HydrophobicContact CG-CZ3 3.83Å; P229-I272 HydrophobicContact CG-CG2 3.94Å
230	E	94.5	Very high	83.9	Confident	7 Å²	7	36.9 Å²	36.9	3%	0.033	21%	0.211	C	C	.	.	H	α-helix	trans	-63	-26.9	-179.3	66.1	-88.3	-151.9	0	0	113.5	P228 G234 H235 H237 V241 P299 R302	P228-E230 VanDerWaalsContact C-N 3.3Å; P228-E230 WeakPolarHBondContact CB-OE2 3.49Å; P228-E230 PolarHBondContact O-N 3.49Å; E230-G234 PolarHBondContact O-N 3.12Å; E230-H235 HydrophobicContact CB-CB 3.98Å; E230-H235 WeakPolarHBondContact O-CA 3.46Å; E230-H235 WeakPolarHBondContact O-CB 3.45Å; E230-H235 PolarHBondContact O-N 3.13Å; E230-H237 HydrophobicContact CG-CB 3.98Å; E230-V241 WeakPolarHBondContact OE1-CG1 3.43Å; E230-P299 HydrophobicContact CB-CG 4.47Å; E230-P299 HydrophobicContact CG-CG 4.25Å; E230-R302 IonicContact OE1-CZ 2.82Å; E230-R302 IonicContact OE1-NH1 2.98Å; E230-R302 PolarHBondContact OE1-NH1 2.85Å; E230-R302 IonicContact OE1-NH2 3.78Å; E230-R302 PolarHBondContact OE1-NH2 3.39Å; E230-R302 IonicContact OE2-CZ 2.88Å; E230-R302 IonicContact OE2-NH1 3.15Å; E230-R302 IonicContact OE2-NH2 3.79Å; E230-R302 PolarHBondContact OE2-NH2 3.37Å
231	M	90.8	Very high	86.2	Confident	9 Å²	9	31.2 Å²	31.2	4%	0.044	18%	0.183	C	C	.	.	H	α-helix	trans	-77	-36.8	174.8	-78.1	-176	169.3	0	0	111.6	L227 P228 P229 G234 H237 V241	L227-M231 HydrophobicContact CD2-SD 4.14Å; P228-M231 VanDerWaalsContact CD-SD 3.58Å; P228-M231 HydrophobicContact CG-CB 4.05Å; P228-M231 HydrophobicContact CG-CG 3.75Å; P228-M231 HydrophobicContact CG-SD 3.76Å; P228-M231 PolarHBondContact O-N 3.25Å; P229-M231 PolarHBondContact O-N 3.26Å; M231-G234 PolarHBondContact O-N 3.15Å; M231-H237 HydrophobicContact CE-CB 4.38Å; M231-H237 HydrophobicContact CG-CB 4.42Å; M231-V241 HydrophobicContact CE-CB 4.48Å; M231-V241 HydrophobicContact CE-CG1 4.06Å
232	I	90.3	Very high	88.4	Confident	38 Å²	38	30.8 Å²	30.8	20%	0.195	18%	0.18	C	C	.	.	H	α-helix	trans	-69.5	-40.5	177.7	-61.7	176.3	0	0	0	110.4	L227 P228 P229 G234 Y269 I272 T273	L227-I232 HydrophobicContact CB-CD1 4.23Å; L227-I232 HydrophobicContact CB-CG1 4.1Å; P228-I232 PolarHBondContact O-N 2.88Å; P229-I232 PolarHBondContact O-N 3.12Å; P229-I232 VanDerWaalsContact O-N 3.07Å; I232-G234 PolarHBondContact O-N 2.98Å; I232-Y269 HydrophobicContact CD1-CD1 3.7Å; I232-Y269 HydrophobicContact CD1-CE1 4.35Å; I232-Y269 HydrophobicContact CD1-CG 4.34Å; I232-Y269 HydrophobicContact CG1-CD1 4.21Å; I232-Y269 HydrophobicContact CG1-CE1 4.5Å; I232-Y269 HydrophobicContact CG2-CD1 4.34Å; I232-Y269 HydrophobicContact CG2-CG 4.09Å; I232-I272 HydrophobicContact CD1-CB 3.69Å; I232-I272 HydrophobicContact CD1-CD1 3.69Å; I232-I272 HydrophobicContact CD1-CG1 4.29Å; I232-I272 HydrophobicContact CD1-CG2 3.4Å; I232-T273 HydrophobicContact CB-CG2 4.25Å; I232-T273 HydrophobicContact CG2-CG2 3.91Å
233	E	91.6	Very high	90.4	Very high	71 Å²	71	29.4 Å²	29.4	33%	0.332	17%	0.165	S	C	.	.	T	Hydrogen-bonded Turn	trans	-76.2	-3.9	179.1	-66.6	168.8	180	0	0	113.2	P229 H235 T273 H297	P229-E233 WeakPolarHBondContact O-CB 3.49Å; P229-E233 WeakPolarHBondContact O-CG 3.47Å; P229-E233 PolarHBondContact O-N 3.28Å; E233-H235 PolarHBondContact O-N 2.67Å; E233-H235 IonicContact OE2-CE1 3.19Å; E233-H235 PolarHBondContact OE2-CE1 3.45Å; E233-H235 IonicContact OE2-ND1 3.07Å; E233-H235 PolarHBondContact OE2-ND1 3.34Å; E233-H235 VanDerWaalsContact OE2-ND1 3.07Å; E233-T273 HydrophobicContact CG-CG2 4.02Å; E233-H297 IonicContact OE1-CD2 2.92Å; E233-H297 IonicContact OE1-CE1 2.67Å; E233-H297 PolarHBondContact OE1-CE1 3.37Å; E233-H297 IonicContact OE1-NE2 3.48Å; E233-H297 PolarHBondContact OE1-NE2 3.49Å; E233-H297 IonicContact OE2-CE1 3.34Å; E233-H297 IonicContact OE2-NE2 3.61Å
234	G	85.9	Confident	91.9	Very high	53 Å²	53	27.4 Å²	27.4	55%	0.546	15%	0.153	S	C	.	.	T	Hydrogen-bonded Turn	trans	72.5	16	-179.6	0	0	0	0	0	114.1	E230 M231 I232	E230-G234 PolarHBondContact O-N 3.12Å; M231-G234 PolarHBondContact O-N 3.15Å; I232-G234 PolarHBondContact O-N 2.98Å
235	H	88.6	Confident	92.7	Very high	105 Å²	105	26.3 Å²	26.3	49%	0.486	15%	0.147	S	C	.	.			trans	-74.4	165.8	174.6	-64.6	152	0	0	0	111.6	E230 E233	E230-H235 HydrophobicContact CB-CB 3.98Å; E230-H235 WeakPolarHBondContact O-CA 3.46Å; E230-H235 WeakPolarHBondContact O-CB 3.45Å; E230-H235 PolarHBondContact O-N 3.13Å; E233-H235 PolarHBondContact O-N 2.67Å; E233-H235 IonicContact OE2-CE1 3.19Å; E233-H235 PolarHBondContact OE2-CE1 3.45Å; E233-H235 IonicContact OE2-ND1 3.07Å; E233-H235 PolarHBondContact OE2-ND1 3.34Å; E233-H235 VanDerWaalsContact OE2-ND1 3.07Å
236	T	85.1	Confident	93.2	Very high	56 Å²	56	25.1 Å²	25.1	34%	0.344	14%	0.141	S	C	.	.			trans	-75.9	136.2	173.9	55.9	0	0	0	0	111.6	R216 R217 R218	R216-T236 HydrophobicContact CB-CG2 3.92Å; R216-T236 WeakPolarHBondContact CD-OG1 3.35Å; R217-T236 CarbonylContact O-C 3.6Å; R217-T236 WeakPolarHBondContact O-CA 3.32Å; R218-T236 HydrophobicContact CG-CG2 4.33Å
237	H	85.1	Confident	93.4	Very high	5 Å²	5	24.7 Å²	24.7	2%	0.023	14%	0.139	C	C	.	.	B	Isolated β-bridge	trans	-109.6	159.2	178.3	58.4	-92.4	0	0	0	113.4	R186 R217 T219 E230 M231 V241	R186-H237 PolarHBondContact NH1-NE2 2.83Å; R217-H237 WeakPolarHBondContact CB-NE2 3.5Å; R217-H237 PolarHBondContact N-O 3.27Å; R217-H237 PolarHBondContact O-CE1 3.43Å; R217-H237 PolarHBondContact O-N 3.17Å; R217-H237 PolarHBondContact O-ND1 2.91Å; T219-H237 PolarHBondContact O-CE1 2.98Å; T219-H237 VanDerWaalsContact O-CE1 3.26Å; E230-H237 HydrophobicContact CG-CB 3.98Å; M231-H237 HydrophobicContact CE-CB 4.38Å; M231-H237 HydrophobicContact CG-CB 4.42Å; H237-V241 HydrophobicContact CB-CG1 3.57Å
238	S	90.8	Very high	93.7	Very high	39 Å²	39	24.2 Å²	24.2	27%	0.273	14%	0.137	S	C	.	.			trans	-129.5	-165.9	175.9	84.4	0	0	0	0	111	K240 V241	S238-K240 PolarHBondContact O-N 3.43Å; S238-K240 VanDerWaalsContact O-N 3.1Å; S238-K240 WeakPolarHBondContact OG-CG 3.47Å; S238-K240 PolarHBondContact OG-N 3.48Å; S238-V241 WeakPolarHBondContact O-CG1 3.34Å; S238-V241 WeakPolarHBondContact O-CG2 3.15Å; S238-V241 PolarHBondContact O-N 3.08Å
239	E	93.3	Very high	93.8	Very high	72 Å²	72	24.1 Å²	24.1	34%	0.336	14%	0.136	S	C	.	.	T	Hydrogen-bonded Turn	trans	-57.6	-18.8	174.7	80.6	-66.6	164.4	0	0	114	H179 I184 V241 D242	H179-E239 PolarHBondContact CE1-O 2.86Å; I184-E239 HydrophobicContact CD1-CB 4.26Å; I184-E239 HydrophobicContact CG1-CB 3.93Å; E239-V241 PolarHBondContact O-N 3.35Å; E239-V241 VanDerWaalsContact O-N 3.09Å; E239-D242 PolarHBondContact O-N 3.23Å; E239-D242 VanDerWaalsContact O-N 3.09Å
240	K	96.7	Very high	94	Very high	42 Å²	42	24.1 Å²	24.1	18%	0.183	14%	0.136	C	C	.	.	H	α-helix	trans	-61.7	-14.3	176.8	-61.2	-64.3	-173.7	151.2	0	114.2	S238 D242 L243 W244 P299 R302	S238-K240 PolarHBondContact O-N 3.43Å; S238-K240 VanDerWaalsContact O-N 3.1Å; S238-K240 WeakPolarHBondContact OG-CG 3.47Å; S238-K240 PolarHBondContact OG-N 3.48Å; K240-D242 VanDerWaalsContact C-N 3.32Å; K240-L243 HydrophobicContact CD-CD2 3.73Å; K240-L243 WeakPolarHBondContact O-CB 3.44Å; K240-L243 PolarHBondContact O-N 3.47Å; K240-W244 PolarHBondContact O-N 3Å; K240-P299 HydrophobicContact CB-CB 3.73Å; K240-P299 HydrophobicContact CG-CB 4.24Å; K240-R302 PolarHBondContact O-NH1 3.01Å
241	V	95.6	Very high	94.2	Very high	1 Å²	1	24.8 Å²	24.8	1%	0.006	14%	0.138	C	C	.	.	H	α-helix	trans	-66.3	-35.2	172.6	-59.4	0	0	0	0	112	I184 R186 P228 E230 M231 H237 S238 E239 L243 W244 C245	I184-V241 HydrophobicContact CG2-CG2 3.79Å; R186-V241 HydrophobicContact CG-CG2 4.06Å; P228-V241 HydrophobicContact CG-CB 4.03Å; P228-V241 HydrophobicContact CG-CG1 3.74Å; E230-V241 WeakPolarHBondContact OE1-CG1 3.43Å; M231-V241 HydrophobicContact CE-CB 4.48Å; M231-V241 HydrophobicContact CE-CG1 4.06Å; H237-V241 HydrophobicContact CB-CG1 3.57Å; S238-V241 WeakPolarHBondContact O-CG1 3.34Å; S238-V241 WeakPolarHBondContact O-CG2 3.15Å; S238-V241 PolarHBondContact O-N 3.08Å; E239-V241 PolarHBondContact O-N 3.35Å; E239-V241 VanDerWaalsContact O-N 3.09Å; V241-L243 PolarHBondContact O-N 2.96Å; V241-W244 WeakPolarHBondContact O-CB 3.22Å; V241-W244 PolarHBondContact O-N 3.34Å; V241-W244 VanDerWaalsContact O-N 3.17Å; V241-C245 PolarHBondContact O-N 3.05Å; V241-C245 PolarHBondContact O-SG 3.09Å
242	D	97.1	Very high	94.5	Very high	0 Å²	0	24.8 Å²	24.8	0%	0	14%	0.138	C	C	.	.	H	α-helix	trans	-66.5	-32.4	179.6	-66.6	-26.2	0	0	0	110.6	L175 H179 I184 H185 R186 E239 K240 C245 I246	L175-D242 HydrophobicContact CD1-CB 4.06Å; L175-D242 HydrophobicContact CD2-CB 4.09Å; H179-D242 IonicContact CD2-OD2 3.76Å; H179-D242 IonicContact CE1-OD2 2.93Å; H179-D242 IonicContact NE2-OD2 3.82Å; H179-D242 PolarHBondContact NE2-OD2 3.37Å; I184-D242 WeakPolarHBondContact CG2-OD2 3.32Å; H185-D242 PolarHBondContact N-OD1 2.78Å; H185-D242 PolarHBondContact N-OD2 3.24Å; R186-D242 PolarHBondContact N-OD1 3.43Å; E239-D242 PolarHBondContact O-N 3.23Å; E239-D242 VanDerWaalsContact O-N 3.09Å; K240-D242 VanDerWaalsContact C-N 3.32Å; D242-C245 PolarHBondContact O-N 3.42Å; D242-I246 WeakPolarHBondContact O-CG2 3.26Å; D242-I246 PolarHBondContact O-N 2.79Å
243	L	98.6	Very high	94.9	Very high	4 Å²	4	23.1 Å²	23.1	2%	0.021	13%	0.13	C	C	.	.	H	α-helix	trans	-64.9	-40.2	175.3	-74.8	59.3	0	0	0	111.4	K240 V241 I246 G247 L294 R302 L303 L305	K240-L243 HydrophobicContact CD-CD2 3.73Å; K240-L243 WeakPolarHBondContact O-CB 3.44Å; K240-L243 PolarHBondContact O-N 3.47Å; V241-L243 PolarHBondContact O-N 2.96Å; L243-I246 WeakPolarHBondContact O-CG1 3.37Å; L243-G247 PolarHBondContact O-N 3.32Å; L243-L294 HydrophobicContact CB-CD2 4.28Å; L243-R302 HydrophobicContact CB-CB 4.22Å; L243-R302 HydrophobicContact CD2-CB 3.98Å; L243-L303 VanDerWaalsContact CD2-O 3.24Å; L243-L303 WeakPolarHBondContact CD2-O 3.46Å; L243-L305 HydrophobicContact CD1-CD1 4.36Å; L243-L305 HydrophobicContact CD1-CD2 3.99Å; L243-L305 HydrophobicContact CD1-CG 3.95Å; L243-L305 HydrophobicContact CG-CD2 4.18Å; L243-L305 HydrophobicContact CG-CG 4.36Å
244	W	98.5	Very high	95.3	Very high	0 Å²	0	20 Å²	20	0%	0	12%	0.115	C	C	.	.	H	α-helix	trans	-62.3	-49.7	173	174.7	-88.5	0	0	0	110.6	L227 P228 P229 K240 V241 I246 G247 V248 F260 I272 V275 L295	L227-W244 PolarHBondContact O-NE1 3.31Å; L227-W244 VanDerWaalsContact O-NE1 3.15Å; P228-W244 HydrophobicContact CB-CB 3.95Å; P228-W244 HydrophobicContact CB-CD2 4.12Å; P228-W244 HydrophobicContact CB-CG 3.65Å; P229-W244 HydrophobicContact CG-CE3 4.39Å; P229-W244 HydrophobicContact CG-CH2 3.74Å; P229-W244 HydrophobicContact CG-CZ2 4.24Å; P229-W244 HydrophobicContact CG-CZ3 3.83Å; K240-W244 PolarHBondContact O-N 3Å; V241-W244 WeakPolarHBondContact O-CB 3.22Å; V241-W244 PolarHBondContact O-N 3.34Å; V241-W244 VanDerWaalsContact O-N 3.17Å; W244-I246 VanDerWaalsContact C-N 3.32Å; W244-I246 PolarHBondContact O-N 2.92Å; W244-G247 WeakPolarHBondContact O-CA 3.41Å; W244-G247 PolarHBondContact O-N 2.84Å; W244-V248 PolarHBondContact O-N 3.07Å; W244-F260 AromaticContact CH2-CE2 3.81Å; W244-F260 HydrophobicContact CH2-CE2 3.81Å; W244-F260 AromaticContact CH2-CZ 3.77Å; W244-F260 HydrophobicContact CH2-CZ 3.77Å; W244-F260 HydrophobicContact CZ2-CD2 4.14Å; W244-F260 AromaticContact CZ2-CE2 3.31Å; W244-F260 HydrophobicContact CZ2-CE2 3.31Å; W244-F260 AromaticContact CZ2-CZ 3.79Å; W244-F260 HydrophobicContact CZ2-CZ 3.79Å; W244-I272 HydrophobicContact CH2-CG2 4.33Å; W244-I272 HydrophobicContact CZ2-CG2 3.8Å; W244-V275 HydrophobicContact CH2-CG1 4.42Å; W244-V275 HydrophobicContact CH2-CG2 4.21Å; W244-V275 HydrophobicContact CZ3-CG2 4.28Å; W244-L295 HydrophobicContact CD2-CD2 3.68Å; W244-L295 HydrophobicContact CE3-CB 4.41Å; W244-L295 HydrophobicContact CE3-CD2 3.74Å; W244-L295 HydrophobicContact CG-CD2 4.17Å; W244-L295 HydrophobicContact CH2-CD2 4.33Å; W244-L295 HydrophobicContact CZ2-CD2 4.27Å; W244-L295 HydrophobicContact CZ3-CB 4.12Å; W244-L295 HydrophobicContact CZ3-CD2 4.08Å; W244-L295 WeakPolarHBondContact O-CD2 3.46Å
245	C	97.9	Very high	95.8	Very high	4 Å²	4	19.2 Å²	19.2	3%	0.027	10%	0.1	C	C	.	.	H	α-helix	trans	-61.1	-37.9	-177.3	-60.2	0	0	0	0	112.7	I188 Y226 V241 D242 G247 V248 L249	I188-C245 HydrophobicContact CB-CB 3.8Å; I188-C245 HydrophobicContact CG2-CB 4.32Å; Y226-C245 HydrophobicContact CD1-CB 4.17Å; Y226-C245 PolarHBondContact O-SG 2.8Å; V241-C245 PolarHBondContact O-N 3.05Å; V241-C245 PolarHBondContact O-SG 3.09Å; D242-C245 PolarHBondContact O-N 3.42Å; C245-G247 VanDerWaalsContact C-N 3.3Å; C245-G247 PolarHBondContact O-N 2.8Å; C245-V248 PolarHBondContact O-N 3.35Å; C245-L249 WeakPolarHBondContact O-CB 3.32Å; C245-L249 PolarHBondContact O-N 2.95Å
246	I	98.5	Very high	96.2	Very high	0 Å²	0	14.5 Å²	14.5	0%	0	8%	0.08	C	C	.	.	H	α-helix	trans	-70.8	-25.9	174.5	65.9	170.2	0	0	0	112.7	M168 I171 L175 I188 D242 L243 W244 C250 L294 L305 V308	M168-I246 HydrophobicContact CE-CB 3.88Å; M168-I246 HydrophobicContact CE-CD1 4.07Å; M168-I246 HydrophobicContact CE-CG1 4.11Å; M168-I246 WeakPolarHBondContact CE-O 3.5Å; I171-I246 HydrophobicContact CD1-CG2 4.05Å; I171-I246 HydrophobicContact CG1-CG2 4.24Å; I171-I246 HydrophobicContact CG2-CB 4.46Å; I171-I246 HydrophobicContact CG2-CG2 3.91Å; L175-I246 HydrophobicContact CD1-CG2 3.53Å; I188-I246 HydrophobicContact CG2-CG2 4.15Å; D242-I246 WeakPolarHBondContact O-CG2 3.26Å; D242-I246 PolarHBondContact O-N 2.79Å; L243-I246 WeakPolarHBondContact O-CG1 3.37Å; W244-I246 VanDerWaalsContact C-N 3.32Å; W244-I246 PolarHBondContact O-N 2.92Å; I246-C250 VanDerWaalsContact O-CB 3.32Å; I246-C250 WeakPolarHBondContact O-CB 3.22Å; I246-C250 PolarHBondContact O-N 3.49Å; I246-L294 HydrophobicContact CD1-CD1 4.4Å; I246-L294 HydrophobicContact CD1-CD2 4.07Å; I246-L294 HydrophobicContact CG1-CD1 4.19Å; I246-L294 HydrophobicContact CG1-CD2 4.13Å; I246-L305 HydrophobicContact CD1-CD2 3.59Å; I246-V308 HydrophobicContact CD1-CG2 4.29Å
247	G	98.8	Very high	96.6	Very high	0 Å²	0	16 Å²	16	0%	0	9%	0.086	C	C	.	.	H	α-helix	trans	-66.8	-43.9	170.3	0	0	0	0	0	112.2	L243 W244 C245 C250 Y251	L243-G247 PolarHBondContact O-N 3.32Å; W244-G247 WeakPolarHBondContact O-CA 3.41Å; W244-G247 PolarHBondContact O-N 2.84Å; C245-G247 VanDerWaalsContact C-N 3.3Å; C245-G247 PolarHBondContact O-N 2.8Å; G247-C250 PolarHBondContact O-N 3.17Å; G247-Y251 PolarHBondContact O-N 3.09Å
248	V	98.6	Very high	97.1	Very high	0 Å²	0	16.6 Å²	16.6	0%	0	9%	0.09	C	C	.	.	H	α-helix	trans	-61.5	-47.2	173.3	177.6	0	0	0	0	110	Y226 W244 C245 C250 Y251 E252 P258 P259 F260 L295	Y226-V248 HydrophobicContact CD1-CB 3.84Å; Y226-V248 HydrophobicContact CD1-CG1 3.64Å; Y226-V248 HydrophobicContact CD2-CG1 3.96Å; Y226-V248 HydrophobicContact CE1-CB 3.77Å; Y226-V248 HydrophobicContact CE1-CG1 3.49Å; Y226-V248 VanDerWaalsContact CE1-CG1 3.49Å; Y226-V248 HydrophobicContact CE2-CG1 3.8Å; Y226-V248 HydrophobicContact CG-CB 4.46Å; Y226-V248 HydrophobicContact CG-CG1 3.88Å; W244-V248 PolarHBondContact O-N 3.07Å; C245-V248 PolarHBondContact O-N 3.35Å; V248-C250 PolarHBondContact O-N 3.44Å; V248-Y251 PolarHBondContact O-N 3.26Å; V248-E252 PolarHBondContact O-N 3.45Å; V248-P258 HydrophobicContact CG1-CB 4.46Å; V248-P259 HydrophobicContact CG1-CG 4.34Å; V248-F260 HydrophobicContact CG2-CE2 4.33Å; V248-L295 HydrophobicContact CG2-CD2 3.83Å
249	L	98.6	Very high	97.4	Very high	1 Å²	1	14.9 Å²	14.9	1%	0.005	8%	0.078	C	C	.	.	H	α-helix	trans	-58.8	-44.3	177.5	-177.8	67	0	0	0	112.3	M149 I171 I188 P190 L193 Y226 C245 Y251 E252 C253	M149-L249 HydrophobicContact CE-CD1 3.97Å; I171-L249 HydrophobicContact CD1-CD2 3.56Å; I188-L249 HydrophobicContact CG2-CD2 4.16Å; P190-L249 HydrophobicContact CG-CD1 3.72Å; L193-L249 HydrophobicContact CD1-CD1 4Å; L193-L249 HydrophobicContact CD1-CD2 3.6Å; L193-L249 HydrophobicContact CD1-CG 4.47Å; Y226-L249 HydrophobicContact CE1-CB 4.18Å; C245-L249 WeakPolarHBondContact O-CB 3.32Å; C245-L249 PolarHBondContact O-N 2.95Å; L249-Y251 VanDerWaalsContact C-N 3.34Å; L249-Y251 PolarHBondContact O-N 3.39Å; L249-E252 PolarHBondContact O-N 2.82Å; L249-C253 WeakPolarHBondContact O-CB 3.38Å; L249-C253 PolarHBondContact O-N 3.13Å; L249-C253 PolarHBondContact O-SG 3.42Å
250	C	98.8	Very high	97.5	Very high	0 Å²	0	11.5 Å²	11.5	0%	0	6%	0.062	C	C	.	.	H	α-helix	trans	-59.5	-46.1	178.4	-172.1	0	0	0	0	111.2	M168 I246 G247 V248 C253 L254 I291	M168-C250 HydrophobicContact CE-CB 4.02Å; M168-C250 HydrophobicContact CG-CB 4.24Å; M168-C250 HydrophobicContact SD-CB 3.59Å; M168-C250 VanDerWaalsContact SD-CB 3.59Å; I246-C250 VanDerWaalsContact O-CB 3.32Å; I246-C250 WeakPolarHBondContact O-CB 3.22Å; I246-C250 PolarHBondContact O-N 3.49Å; G247-C250 PolarHBondContact O-N 3.17Å; V248-C250 PolarHBondContact O-N 3.44Å; C250-C253 PolarHBondContact O-N 3.34Å; C250-L254 WeakPolarHBondContact O-CG 3.42Å; C250-L254 PolarHBondContact O-N 3.42Å; C250-I291 HydrophobicContact CB-CG1 3.99Å
251	Y	98.8	Very high	97.2	Very high	20 Å²	20	14 Å²	14	8%	0.078	7%	0.074	C	C	.	.	H	α-helix	trans	-61.3	-50.4	175.1	-177.2	-76.7	0	0	0	111.2	G247 V248 L249 C253 L254 V255 N257 P259 N278 F279 I283 I291	G247-Y251 PolarHBondContact O-N 3.09Å; V248-Y251 PolarHBondContact O-N 3.26Å; L249-Y251 VanDerWaalsContact C-N 3.34Å; L249-Y251 PolarHBondContact O-N 3.39Å; Y251-C253 VanDerWaalsContact C-N 3.29Å; Y251-C253 PolarHBondContact O-N 3.06Å; Y251-L254 PolarHBondContact O-N 3.27Å; Y251-L254 VanDerWaalsContact O-N 3.08Å; Y251-V255 HydrophobicContact CD1-CB 4.07Å; Y251-V255 HydrophobicContact CD1-CG2 3.93Å; Y251-V255 HydrophobicContact CD2-CG2 4.41Å; Y251-V255 HydrophobicContact CE1-CB 3.67Å; Y251-V255 HydrophobicContact CE1-CG1 3.85Å; Y251-V255 HydrophobicContact CE1-CG2 3.57Å; Y251-V255 HydrophobicContact CE2-CG2 4.11Å; Y251-V255 HydrophobicContact CG-CG2 4.33Å; Y251-V255 WeakPolarHBondContact O-CB 3.34Å; Y251-V255 WeakPolarHBondContact O-CG2 2.98Å; Y251-V255 PolarHBondContact O-N 3.09Å; Y251-N257 WeakPolarHBondContact CD1-O 3.34Å; Y251-N257 WeakPolarHBondContact CE1-O 3.42Å; Y251-P259 HydrophobicContact CD1-CB 3.63Å; Y251-P259 HydrophobicContact CD1-CG 4.01Å; Y251-P259 HydrophobicContact CD2-CB 3.88Å; Y251-P259 HydrophobicContact CE1-CB 3.77Å; Y251-P259 HydrophobicContact CE2-CB 4Å; Y251-P259 HydrophobicContact CG-CB 3.69Å; Y251-P259 HydrophobicContact CG-CG 4.01Å; Y251-N278 PolarHBondContact OH-O 2.84Å; Y251-F279 HydrophobicContact CD2-CD1 4.33Å; Y251-F279 HydrophobicContact CD2-CE1 4.18Å; Y251-F279 HydrophobicContact CE2-CD1 4.23Å; Y251-F279 HydrophobicContact CE2-CE1 4.46Å; Y251-I283 HydrophobicContact CD2-CD1 4.03Å; Y251-I283 HydrophobicContact CE2-CD1 3.96Å; Y251-I291 HydrophobicContact CD2-CD1 4.41Å
252	E	98.2	Very high	97	Very high	10 Å²	10	16 Å²	16	5%	0.047	9%	0.086	C	C	.	.	H	α-helix	trans	-61.8	-37.4	-178.1	-175.1	177.9	164.2	0	0	111.7	L153 Y226 V248 L249 L254 V255 G256	L153-E252 HydrophobicContact CD2-CG 3.85Å; Y226-E252 VanDerWaalsContact CE2-OE2 3.23Å; Y226-E252 WeakPolarHBondContact CE2-OE2 3.44Å; Y226-E252 PolarHBondContact OH-OE2 2.78Å; V248-E252 PolarHBondContact O-N 3.45Å; L249-E252 PolarHBondContact O-N 2.82Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3.14Å; E252-V255 PolarHBondContact O-N 3.29Å; E252-G256 WeakPolarHBondContact O-CA 3.12Å; E252-G256 PolarHBondContact O-N 3.1Å
253	C	98.6	Very high	96.5	Very high	2 Å²	2	21.6 Å²	21.6	1%	0.014	13%	0.133	C	C	.	.	H	α-helix	trans	-59.1	-44	173.6	-70.9	0	0	0	0	112	M149 R158 F159 T164 L249 C250 Y251	M149-C253 WeakPolarHBondContact CE-SG 3.24Å; R158-C253 CarbonylContact C-O 3.58Å; F159-C253 HydrophobicContact CB-CB 4.5Å; F159-C253 HydrophobicContact CD2-CB 4.01Å; F159-C253 PolarHBondContact N-O 2.95Å; T164-C253 HydrophobicContact CG2-CB 3.57Å; L249-C253 WeakPolarHBondContact O-CB 3.38Å; L249-C253 PolarHBondContact O-N 3.13Å; L249-C253 PolarHBondContact O-SG 3.42Å; C250-C253 PolarHBondContact O-N 3.34Å; Y251-C253 VanDerWaalsContact C-N 3.29Å; Y251-C253 PolarHBondContact O-N 3.06Å
254	L	98.6	Very high	96	Very high	6 Å²	6	24.2 Å²	24.2	3%	0.031	15%	0.151	C	C	.	.	H	α-helix	trans	-81.5	-22.2	-175.5	-66	168.7	0	0	0	113.6	R158 D161 T164 C250 Y251 E252 I283 A287 I291 W313	R158-L254 WeakPolarHBondContact CD-O 3.5Å; D161-L254 WeakPolarHBondContact OD1-CD2 3.19Å; T164-L254 HydrophobicContact CG2-CD1 4.43Å; T164-L254 HydrophobicContact CG2-CD2 4.18Å; T164-L254 HydrophobicContact CG2-CG 3.98Å; T164-L254 WeakPolarHBondContact OG1-CD2 3.5Å; C250-L254 WeakPolarHBondContact O-CG 3.42Å; C250-L254 PolarHBondContact O-N 3.42Å; Y251-L254 PolarHBondContact O-N 3.27Å; Y251-L254 VanDerWaalsContact O-N 3.08Å; E252-L254 VanDerWaalsContact C-N 3.33Å; E252-L254 PolarHBondContact O-N 3.14Å; L254-I283 HydrophobicContact CB-CG1 4.27Å; L254-A287 HydrophobicContact CD1-CB 3.62Å; L254-I291 HydrophobicContact CD1-CD1 4.25Å; L254-W313 HydrophobicContact CD1-CH2 4.3Å; L254-W313 HydrophobicContact CD1-CZ2 4.27Å; L254-W313 HydrophobicContact CD2-CZ2 4.43Å
255	V	97.8	Very high	95.5	Very high	37 Å²	37	30.2 Å²	30.2	22%	0.224	18%	0.179	C	C	.	.	H	α-helix	trans	-109.8	-30.2	-174.1	-178.8	0	0	0	0	112.8	Y251 E252 P280 I283	Y251-V255 HydrophobicContact CD1-CB 4.07Å; Y251-V255 HydrophobicContact CD1-CG2 3.93Å; Y251-V255 HydrophobicContact CD2-CG2 4.41Å; Y251-V255 HydrophobicContact CE1-CB 3.67Å; Y251-V255 HydrophobicContact CE1-CG1 3.85Å; Y251-V255 HydrophobicContact CE1-CG2 3.57Å; Y251-V255 HydrophobicContact CE2-CG2 4.11Å; Y251-V255 HydrophobicContact CG-CG2 4.33Å; Y251-V255 WeakPolarHBondContact O-CB 3.34Å; Y251-V255 WeakPolarHBondContact O-CG2 2.98Å; Y251-V255 PolarHBondContact O-N 3.09Å; E252-V255 PolarHBondContact O-N 3.29Å; V255-P280 HydrophobicContact CG1-CG 4.2Å; V255-P280 HydrophobicContact CG2-CG 3.72Å; V255-I283 HydrophobicContact CG2-CD1 3.54Å; V255-I283 HydrophobicContact CG2-CG1 4.08Å
256	G	95.8	Very high	95.1	Very high	6 Å²	6	33.2 Å²	33.2	6%	0.062	20%	0.2	C	C	.	.	S	Bend	trans	95.2	-11.9	-175.2	0	0	0	0	0	115	G157 E252	G157-G256 WeakPolarHBondContact O-CA 3.42Å; E252-G256 WeakPolarHBondContact O-CA 3.12Å; E252-G256 PolarHBondContact O-N 3.1Å
257	N	93.8	Very high	94.8	Very high	87 Å²	87	36.8 Å²	36.8	47%	0.465	22%	0.217	S	C	.	.	S	Bend	trans	-139.9	153.4	178	-54.8	-77.6	0	0	0	110.3	Y251	Y251-N257 WeakPolarHBondContact CD1-O 3.34Å; Y251-N257 WeakPolarHBondContact CE1-O 3.42Å
258	P	95.7	Very high	94.5	Very high	18 Å²	18	36.9 Å²	36.9	12%	0.117	22%	0.217	C	C	.	.			trans	-59.9	150.8	177.2	-20.2	30	0	0	0	113.2	D225 V248 F260 E261	D225-P258 HydrophobicContact CB-CB 3.75Å; D225-P258 HydrophobicContact CB-CG 3.87Å; V248-P258 HydrophobicContact CG1-CB 4.46Å; P258-F260 VanDerWaalsContact C-N 3.32Å; P258-F260 PolarHBondContact O-N 3.37Å; P258-E261 HydrophobicContact CB-CB 4.21Å; P258-E261 HydrophobicContact CG-CB 4.4Å
259	P	97.2	Very high	94.3	Very high	3 Å²	3	40.6 Å²	40.6	2%	0.019	23%	0.232	C	C	.	.	T	Hydrogen-bonded Turn	trans	-66.8	-29.3	-175	22.4	-29.4	0	0	0	114.7	V248 Y251 R271 L277 L295	V248-P259 HydrophobicContact CG1-CG 4.34Å; Y251-P259 HydrophobicContact CD1-CB 3.63Å; Y251-P259 HydrophobicContact CD1-CG 4.01Å; Y251-P259 HydrophobicContact CD2-CB 3.88Å; Y251-P259 HydrophobicContact CE1-CB 3.77Å; Y251-P259 HydrophobicContact CE2-CB 4Å; Y251-P259 HydrophobicContact CG-CB 3.69Å; Y251-P259 HydrophobicContact CG-CG 4.01Å; P259-R271 PolarHBondContact O-NH1 3.34Å; P259-R271 PolarHBondContact O-NH2 2.9Å; P259-L277 HydrophobicContact CB-CD2 3.65Å; P259-L277 HydrophobicContact CG-CD2 4.28Å; P259-L295 HydrophobicContact CG-CD1 4.29Å
260	F	96.6	Very high	94.1	Very high	0 Å²	0	45 Å²	45	0%	0	25%	0.251	C	S	.	.	T	Hydrogen-bonded Turn	trans	-107.2	-1.9	-172.7	-50.2	-64.5	0	0	0	113.5	W244 V248 P258 T262 T268 R271 I272 L277 L295	W244-F260 AromaticContact CH2-CE2 3.81Å; W244-F260 HydrophobicContact CH2-CE2 3.81Å; W244-F260 AromaticContact CH2-CZ 3.77Å; W244-F260 HydrophobicContact CH2-CZ 3.77Å; W244-F260 HydrophobicContact CZ2-CD2 4.14Å; W244-F260 AromaticContact CZ2-CE2 3.31Å; W244-F260 HydrophobicContact CZ2-CE2 3.31Å; W244-F260 AromaticContact CZ2-CZ 3.79Å; W244-F260 HydrophobicContact CZ2-CZ 3.79Å; V248-F260 HydrophobicContact CG2-CE2 4.33Å; P258-F260 VanDerWaalsContact C-N 3.32Å; P258-F260 PolarHBondContact O-N 3.37Å; F260-T262 PolarHBondContact O-N 2.72Å; F260-T268 HydrophobicContact CB-CG2 4.26Å; F260-T268 WeakPolarHBondContact O-CG2 3.47Å; F260-R271 HydrophobicContact CB-CB 4.28Å; F260-R271 HydrophobicContact CD1-CB 4.17Å; F260-I272 HydrophobicContact CB-CD1 4.46Å; F260-I272 HydrophobicContact CB-CG1 3.7Å; F260-I272 HydrophobicContact CD1-CG1 4.49Å; F260-I272 HydrophobicContact CD2-CG1 3.69Å; F260-I272 HydrophobicContact CE2-CG1 4.46Å; F260-I272 HydrophobicContact CG-CG1 3.7Å; F260-L277 HydrophobicContact CD1-CD2 4.46Å; F260-L277 HydrophobicContact CE1-CD2 3.49Å; F260-L277 VanDerWaalsContact CE1-CD2 3.49Å; F260-L277 HydrophobicContact CE1-CG 3.93Å; F260-L277 HydrophobicContact CE2-CD2 4.37Å; F260-L277 HydrophobicContact CZ-CD2 3.44Å; F260-L277 VanDerWaalsContact CZ-CD2 3.44Å; F260-L277 HydrophobicContact CZ-CG 4.04Å; F260-L295 HydrophobicContact CE2-CD1 4.28Å; F260-L295 HydrophobicContact CZ-CD1 4.17Å
261	E	89.8	Confident	94.1	Very high	94 Å²	94	46.7 Å²	46.7	44%	0.439	26%	0.258	S	S	.	.			trans	-58.1	135.3	-177.3	-174.2	-180	-153.9	0	0	110.5	P258 R271	P258-E261 HydrophobicContact CB-CB 4.21Å; P258-E261 HydrophobicContact CG-CB 4.4Å; E261-R271 PolarHBondContact O-NH1 2.86Å
262	T	90.6	Very high	94	Very high	43 Å²	43	45.8 Å²	45.8	26%	0.264	25%	0.254	S	S	.	.			trans	-147.3	168.7	174	69.8	0	0	0	0	109.5	F260 S264 E267 T268	F260-T262 PolarHBondContact O-N 2.72Å; T262-S264 PolarHBondContact O-N 3.49Å; T262-S264 PolarHBondContact OG1-N 3.1Å; T262-S264 PolarHBondContact OG1-O 3.4Å; T262-E267 HydrophobicContact CG2-CG 4.25Å; T262-T268 PolarHBondContact N-OG1 2.85Å; T262-T268 PolarHBondContact OG1-N 2.94Å; T262-T268 PolarHBondContact OG1-OG1 3.15Å
263	A	86.7	Confident	93.9	Very high	118 Å²	118	47.1 Å²	47.1	98%	0.975	26%	0.263	S	S	*	.	S	Bend	trans	-66.2	-13.9	176.2	0	0	0	0	0	114.3
264	S	89.1	Confident	93.8	Very high	59 Å²	59	54.9 Å²	54.9	41%	0.413	30%	0.297	S	S	.	.			trans	-125.1	124.2	-176.4	174.5	0	0	0	0	111.3	T262 S266 E267 T268	T262-S264 PolarHBondContact O-N 3.49Å; T262-S264 PolarHBondContact OG1-N 3.1Å; T262-S264 PolarHBondContact OG1-O 3.4Å; S264-S266 PolarHBondContact O-N 3.33Å; S264-S266 VanDerWaalsContact O-N 3.17Å; S264-S266 PolarHBondContact OG-N 3.33Å; S264-E267 PolarHBondContact O-N 3.28Å; S264-T268 PolarHBondContact O-N 3.1Å; S264-T268 PolarHBondContact O-OG1 2.91Å
265	H	86.8	Confident	93.7	Very high	127 Å²	127	56.2 Å²	56.2	59%	0.588	31%	0.305	S	S	*	.	H	α-helix	trans	-53.7	-39	175.9	-67.3	-178.9	0	0	0	112.8	L224 E267 T268 Y269	L224-H265 HydrophobicContact CD1-CB 3.76Å; L224-H265 VanDerWaalsContact CD1-CG 3.49Å; H265-E267 VanDerWaalsContact C-N 3.29Å; H265-E267 PolarHBondContact O-N 3.44Å; H265-T268 PolarHBondContact O-N 2.74Å; H265-Y269 VanDerWaalsContact O-CG 3.27Å; H265-Y269 PolarHBondContact O-N 3.41Å
266	S	89.9	Confident	93.7	Very high	66 Å²	66	57.6 Å²	57.6	46%	0.462	31%	0.311	S	S	.	.	H	α-helix	trans	-64.6	-36.2	177.9	178.2	0	0	0	0	111.9	S264 K270	S264-S266 PolarHBondContact O-N 3.33Å; S264-S266 VanDerWaalsContact O-N 3.17Å; S264-S266 PolarHBondContact OG-N 3.33Å; S266-K270 WeakPolarHBondContact O-CG 3.49Å; S266-K270 PolarHBondContact O-N 3.47Å
267	E	93.1	Very high	93.7	Very high	76 Å²	76	59 Å²	59	36%	0.355	32%	0.317	S	S	.	.	H	α-helix	trans	-75.6	-40.9	179.2	-165.3	56.3	-144.1	0	0	111.2	T262 S264 H265 Y269 K270 R271	T262-E267 HydrophobicContact CG2-CG 4.25Å; S264-E267 PolarHBondContact O-N 3.28Å; H265-E267 VanDerWaalsContact C-N 3.29Å; H265-E267 PolarHBondContact O-N 3.44Å; E267-Y269 VanDerWaalsContact C-N 3.3Å; E267-Y269 PolarHBondContact O-N 2.78Å; E267-K270 WeakPolarHBondContact O-CB 3.33Å; E267-K270 PolarHBondContact O-N 2.93Å; E267-K270 VanDerWaalsContact O-N 3.09Å; E267-K270 WeakPolarHBondContact OE2-CD 3.49Å; E267-K270 IonicContact OE2-NZ 2.9Å; E267-K270 PolarHBondContact OE2-NZ 3.39Å; E267-R271 WeakPolarHBondContact O-CG 3.43Å; E267-R271 PolarHBondContact O-N 2.94Å
268	T	92.6	Very high	93.8	Very high	1 Å²	1	59.3 Å²	59.3	1%	0.006	32%	0.318	C	S	.	.	H	α-helix	trans	-55.8	-44.5	171.4	-56.4	0	0	0	0	111.4	L224 F260 T262 S264 H265 K270 R271 I272	L224-T268 HydrophobicContact CD2-CG2 3.37Å; L224-T268 HydrophobicContact CG-CG2 4.49Å; F260-T268 HydrophobicContact CB-CG2 4.26Å; F260-T268 WeakPolarHBondContact O-CG2 3.47Å; T262-T268 PolarHBondContact N-OG1 2.85Å; T262-T268 PolarHBondContact OG1-N 2.94Å; T262-T268 PolarHBondContact OG1-OG1 3.15Å; S264-T268 PolarHBondContact O-N 3.1Å; S264-T268 PolarHBondContact O-OG1 2.91Å; H265-T268 PolarHBondContact O-N 2.74Å; T268-K270 PolarHBondContact O-N 2.91Å; T268-R271 PolarHBondContact O-N 3.4Å; T268-I272 HydrophobicContact CG2-CD1 3.81Å; T268-I272 HydrophobicContact CG2-CG1 4.4Å; T268-I272 VanDerWaalsContact O-CG1 3.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.37Å; T268-I272 PolarHBondContact O-N 3.31Å
269	Y	92.8	Very high	93.9	Very high	79 Å²	79	60.2 Å²	60.2	31%	0.31	32%	0.32	S	S	.	.	H	α-helix	trans	-61.1	-39.8	175.4	-68.3	-18	0	0	0	113.5	L224 L227 I232 H265 E267 I272 T273	L224-Y269 HydrophobicContact CD1-CD1 4.48Å; L224-Y269 HydrophobicContact CD1-CE1 3.61Å; L224-Y269 HydrophobicContact CG-CE1 3.81Å; L227-Y269 HydrophobicContact CD1-CE1 4.2Å; I232-Y269 HydrophobicContact CD1-CD1 3.7Å; I232-Y269 HydrophobicContact CD1-CE1 4.35Å; I232-Y269 HydrophobicContact CD1-CG 4.34Å; I232-Y269 HydrophobicContact CG1-CD1 4.21Å; I232-Y269 HydrophobicContact CG1-CE1 4.5Å; I232-Y269 HydrophobicContact CG2-CD1 4.34Å; I232-Y269 HydrophobicContact CG2-CG 4.09Å; H265-Y269 VanDerWaalsContact O-CG 3.27Å; H265-Y269 PolarHBondContact O-N 3.41Å; E267-Y269 VanDerWaalsContact C-N 3.3Å; E267-Y269 PolarHBondContact O-N 2.78Å; Y269-I272 PolarHBondContact O-N 3.11Å; Y269-T273 WeakPolarHBondContact O-CB 3.21Å; Y269-T273 WeakPolarHBondContact O-CG2 3.32Å; Y269-T273 PolarHBondContact O-N 3.42Å; Y269-T273 PolarHBondContact O-OG1 2.94Å
270	K	95.6	Very high	93.8	Very high	94 Å²	94	62.3 Å²	62.3	41%	0.409	33%	0.334	S	S	.	.	H	α-helix	trans	-65.5	-41.7	175.1	-69.9	175.7	-155.1	156.7	0	111.4	S266 E267 T268 T273 K274	S266-K270 WeakPolarHBondContact O-CG 3.49Å; S266-K270 PolarHBondContact O-N 3.47Å; E267-K270 WeakPolarHBondContact O-CB 3.33Å; E267-K270 PolarHBondContact O-N 2.93Å; E267-K270 VanDerWaalsContact O-N 3.09Å; E267-K270 WeakPolarHBondContact OE2-CD 3.49Å; E267-K270 IonicContact OE2-NZ 2.9Å; E267-K270 PolarHBondContact OE2-NZ 3.39Å; T268-K270 PolarHBondContact O-N 2.91Å; K270-T273 WeakPolarHBondContact CA-OG1 2.95Å; K270-T273 PolarHBondContact O-N 2.69Å; K270-T273 PolarHBondContact O-OG1 2.92Å; K270-T273 VanDerWaalsContact O-OG1 3.12Å; K270-K274 WeakPolarHBondContact O-CB 3.38Å; K270-K274 WeakPolarHBondContact O-CG 3.44Å; K270-K274 PolarHBondContact O-N 3.18Å
271	R	97.3	Very high	93.6	Very high	35 Å²	35	72.6 Å²	72.6	13%	0.132	38%	0.379	C	S	.	.	H	α-helix	trans	-65.4	-40.1	178.2	-68.9	-171.8	71.7	-141.2	-12.7	111.7	P259 F260 E261 E267 T268 V275 D276	P259-R271 PolarHBondContact O-NH1 3.34Å; P259-R271 PolarHBondContact O-NH2 2.9Å; F260-R271 HydrophobicContact CB-CB 4.28Å; F260-R271 HydrophobicContact CD1-CB 4.17Å; E261-R271 PolarHBondContact O-NH1 2.86Å; E267-R271 WeakPolarHBondContact O-CG 3.43Å; E267-R271 PolarHBondContact O-N 2.94Å; T268-R271 PolarHBondContact O-N 3.4Å; R271-V275 WeakPolarHBondContact O-CA 3.42Å; R271-V275 PolarHBondContact O-N 3.41Å; R271-D276 HydrophobicContact CB-CB 4.14Å; R271-D276 HydrophobicContact CG-CB 4.23Å; R271-D276 IonicContact CZ-OD2 2.84Å; R271-D276 IonicContact NE-OD2 2.7Å; R271-D276 PolarHBondContact NE-OD2 3.08Å; R271-D276 PolarHBondContact NH2-O 3.34Å; R271-D276 IonicContact NH2-OD2 3.11Å; R271-D276 PolarHBondContact O-N 2.47Å
272	I	96.9	Very high	93.8	Very high	0 Å²	0	71.1 Å²	71.1	0%	0	38%	0.376	C	S	.	.	H	α-helix	trans	-62.4	-52.7	174.2	-68.7	165.8	0	0	0	110.9	L227 P229 I232 W244 F260 T268 Y269 K274 V275	L227-I272 WeakPolarHBondContact O-CG2 3.18Å; P229-I272 HydrophobicContact CG-CG2 3.94Å; I232-I272 HydrophobicContact CD1-CB 3.69Å; I232-I272 HydrophobicContact CD1-CD1 3.69Å; I232-I272 HydrophobicContact CD1-CG1 4.29Å; I232-I272 HydrophobicContact CD1-CG2 3.4Å; W244-I272 HydrophobicContact CH2-CG2 4.33Å; W244-I272 HydrophobicContact CZ2-CG2 3.8Å; F260-I272 HydrophobicContact CB-CD1 4.46Å; F260-I272 HydrophobicContact CB-CG1 3.7Å; F260-I272 HydrophobicContact CD1-CG1 4.49Å; F260-I272 HydrophobicContact CD2-CG1 3.69Å; F260-I272 HydrophobicContact CE2-CG1 4.46Å; F260-I272 HydrophobicContact CG-CG1 3.7Å; T268-I272 HydrophobicContact CG2-CD1 3.81Å; T268-I272 HydrophobicContact CG2-CG1 4.4Å; T268-I272 VanDerWaalsContact O-CG1 3.3Å; T268-I272 WeakPolarHBondContact O-CG1 3.37Å; T268-I272 PolarHBondContact O-N 3.31Å; Y269-I272 PolarHBondContact O-N 3.11Å; I272-K274 VanDerWaalsContact C-N 3.27Å; I272-K274 PolarHBondContact O-N 3.26Å; I272-V275 PolarHBondContact O-N 2.88Å
273	T	95.9	Very high	94.1	Very high	39 Å²	39	69.4 Å²	69.4	24%	0.239	37%	0.365	C	S	.	.	H	α-helix	trans	-66.4	-27.3	-177	50.1	0	0	0	0	113.2	I232 E233 Y269 K270 H297	I232-T273 HydrophobicContact CB-CG2 4.25Å; I232-T273 HydrophobicContact CG2-CG2 3.91Å; E233-T273 HydrophobicContact CG-CG2 4.02Å; Y269-T273 WeakPolarHBondContact O-CB 3.21Å; Y269-T273 WeakPolarHBondContact O-CG2 3.32Å; Y269-T273 PolarHBondContact O-N 3.42Å; Y269-T273 PolarHBondContact O-OG1 2.94Å; K270-T273 WeakPolarHBondContact CA-OG1 2.95Å; K270-T273 PolarHBondContact O-N 2.69Å; K270-T273 PolarHBondContact O-OG1 2.92Å; K270-T273 VanDerWaalsContact O-OG1 3.12Å; T273-H297 PolarHBondContact O-CD2 3.49Å
274	K	97.3	Very high	94.6	Very high	165 Å²	165	65.6 Å²	65.6	72%	0.717	33%	0.332	S	S	*	.	H	α-helix	trans	-87.3	-8.8	171.7	-67.8	179	179.8	-179.2	0	114	K270 I272 D276	K270-K274 WeakPolarHBondContact O-CB 3.38Å; K270-K274 WeakPolarHBondContact O-CG 3.44Å; K270-K274 PolarHBondContact O-N 3.18Å; I272-K274 VanDerWaalsContact C-N 3.27Å; I272-K274 PolarHBondContact O-N 3.26Å; K274-D276 VanDerWaalsContact C-N 3.26Å; K274-D276 PolarHBondContact O-N 3.15Å
275	V	97.5	Very high	95	Very high	33 Å²	33	69 Å²	69	20%	0.2	35%	0.345	C	S	.	.	T	Hydrogen-bonded Turn	trans	51.1	48.8	-170.1	-164.9	0	0	0	0	110.8	W244 R271 I272 L277 L295 H297	W244-V275 HydrophobicContact CH2-CG1 4.42Å; W244-V275 HydrophobicContact CH2-CG2 4.21Å; W244-V275 HydrophobicContact CZ3-CG2 4.28Å; R271-V275 WeakPolarHBondContact O-CA 3.42Å; R271-V275 PolarHBondContact O-N 3.41Å; I272-V275 PolarHBondContact O-N 2.88Å; V275-L277 VanDerWaalsContact C-N 3.31Å; V275-L277 HydrophobicContact CG1-CD1 3.93Å; V275-L277 HydrophobicContact CG1-CG 4.12Å; V275-L277 PolarHBondContact O-N 3.05Å; V275-L295 HydrophobicContact CG1-CB 4.47Å; V275-L295 WeakPolarHBondContact CG1-O 3.31Å; V275-H297 HydrophobicContact CG2-CB 3.74Å
276	D	97.5	Very high	95.6	Very high	66 Å²	66	64.3 Å²	64.3	35%	0.353	33%	0.331	S	S	.	.			trans	-76.2	79.3	-178.9	175.5	39.1	0	0	0	111.3	R271 K274	R271-D276 HydrophobicContact CB-CB 4.14Å; R271-D276 HydrophobicContact CG-CB 4.23Å; R271-D276 IonicContact CZ-OD2 2.84Å; R271-D276 IonicContact NE-OD2 2.7Å; R271-D276 PolarHBondContact NE-OD2 3.08Å; R271-D276 PolarHBondContact NH2-O 3.34Å; R271-D276 IonicContact NH2-OD2 3.11Å; R271-D276 PolarHBondContact O-N 2.47Å; K274-D276 VanDerWaalsContact C-N 3.26Å; K274-D276 PolarHBondContact O-N 3.15Å
277	L	95.7	Very high	96	Very high	35 Å²	35	61.1 Å²	61.1	18%	0.183	31%	0.309	C	S	.	.			trans	-91.8	122.5	-178.3	-71.1	173.9	0	0	0	112.2	P259 F260 V275 F279 L295	P259-L277 HydrophobicContact CB-CD2 3.65Å; P259-L277 HydrophobicContact CG-CD2 4.28Å; F260-L277 HydrophobicContact CD1-CD2 4.46Å; F260-L277 HydrophobicContact CE1-CD2 3.49Å; F260-L277 VanDerWaalsContact CE1-CD2 3.49Å; F260-L277 HydrophobicContact CE1-CG 3.93Å; F260-L277 HydrophobicContact CE2-CD2 4.37Å; F260-L277 HydrophobicContact CZ-CD2 3.44Å; F260-L277 VanDerWaalsContact CZ-CD2 3.44Å; F260-L277 HydrophobicContact CZ-CG 4.04Å; V275-L277 VanDerWaalsContact C-N 3.31Å; V275-L277 HydrophobicContact CG1-CD1 3.93Å; V275-L277 HydrophobicContact CG1-CG 4.12Å; V275-L277 PolarHBondContact O-N 3.05Å; L277-F279 HydrophobicContact CB-CE2 3.97Å; L277-F279 HydrophobicContact CB-CZ 4.43Å; L277-F279 HydrophobicContact CD1-CE2 4.4Å; L277-F279 HydrophobicContact CD1-CZ 4.25Å; L277-L295 HydrophobicContact CD1-CB 3.84Å; L277-L295 HydrophobicContact CD1-CD1 4Å; L277-L295 HydrophobicContact CD2-CD1 3.65Å; L277-L295 HydrophobicContact CG-CD1 4.44Å
278	N	95.7	Very high	96.2	Very high	94 Å²	94	61.8 Å²	61.8	50%	0.503	31%	0.308	S	S	.	.			trans	-116.4	115.6	174.1	-68.7	-54.1	0	0	0	109.6	Y251 P280	Y251-N278 PolarHBondContact OH-O 2.84Å; N278-P280 WeakPolarHBondContact O-CD 3.1Å
279	F	96.5	Very high	96.5	Very high	37 Å²	37	64.8 Å²	64.8	16%	0.162	32%	0.324	C	S	.	.			trans	-96.7	117.1	-177.4	-68.8	-85.6	0	0	0	111.2	Y251 L277 I283 R288 I291	Y251-F279 HydrophobicContact CD2-CD1 4.33Å; Y251-F279 HydrophobicContact CD2-CE1 4.18Å; Y251-F279 HydrophobicContact CE2-CD1 4.23Å; Y251-F279 HydrophobicContact CE2-CE1 4.46Å; L277-F279 HydrophobicContact CB-CE2 3.97Å; L277-F279 HydrophobicContact CB-CZ 4.43Å; L277-F279 HydrophobicContact CD1-CE2 4.4Å; L277-F279 HydrophobicContact CD1-CZ 4.25Å; F279-I283 HydrophobicContact CD1-CB 4.47Å; F279-I283 HydrophobicContact CD1-CD1 3.62Å; F279-I283 HydrophobicContact CD1-CG2 4.1Å; F279-I283 HydrophobicContact CE1-CD1 4.38Å; F279-R288 VanDerWaalsContact CB-CZ 3.42Å; F279-R288 HydrophobicContact CD1-CB 4.31Å; F279-R288 HydrophobicContact CD1-CG 3.99Å; F279-R288 HydrophobicContact CD2-CG 3.89Å; F279-R288 HydrophobicContact CE1-CB 4.34Å; F279-R288 HydrophobicContact CE1-CG 4.02Å; F279-R288 HydrophobicContact CE2-CG 3.9Å; F279-R288 HydrophobicContact CG-CG 3.94Å; F279-R288 HydrophobicContact CZ-CG 3.96Å; F279-I291 HydrophobicContact CE1-CB 3.92Å; F279-I291 HydrophobicContact CE1-CD1 4.01Å; F279-I291 HydrophobicContact CE1-CG2 3.74Å; F279-I291 HydrophobicContact CZ-CB 4.14Å; F279-I291 HydrophobicContact CZ-CG2 3.8Å
280	P	95.4	Very high	96.8	Very high	47 Å²	47	61 Å²	61	31%	0.305	31%	0.309	S	S	.	.			trans	-63.7	156.2	170.7	25.6	-34.3	0	0	0	111.3	V255 N278 V282 I283	V255-P280 HydrophobicContact CG1-CG 4.2Å; V255-P280 HydrophobicContact CG2-CG 3.72Å; N278-P280 WeakPolarHBondContact O-CD 3.1Å; P280-V282 HydrophobicContact CB-CG1 4.19Å; P280-V282 HydrophobicContact CG-CG1 3.96Å; P280-V282 PolarHBondContact O-N 3.37Å; P280-I283 HydrophobicContact CG-CD1 4.12Å; P280-I283 HydrophobicContact CG-CG1 4.26Å; P280-I283 PolarHBondContact O-N 2.86Å; P280-I283 VanDerWaalsContact O-N 3.1Å
281	K	93.8	Very high	97	Very high	217 Å²	217	56.6 Å²	56.6	94%	0.943	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-59.2	-16.4	-178.8	-67.7	-174.4	179.1	-178.7	0	114.7	I283	K281-I283 VanDerWaalsContact C-N 3.3Å
282	V	93.2	Very high	97	Very high	62 Å²	62	56.8 Å²	56.8	38%	0.376	30%	0.297	S	S	.	.	T	Hydrogen-bonded Turn	trans	-72	-24.9	178.2	69.2	0	0	0	0	113.1	P280 S284	P280-V282 HydrophobicContact CB-CG1 4.19Å; P280-V282 HydrophobicContact CG-CG1 3.96Å; P280-V282 PolarHBondContact O-N 3.37Å; V282-S284 PolarHBondContact O-N 3.01Å
283	I	96.3	Very high	97.1	Very high	7 Å²	7	60.6 Å²	60.6	4%	0.036	31%	0.313	C	S	.	.	S	Bend	trans	-77.2	123.4	-178.6	-64.9	177.8	0	0	0	109	Y251 L254 V255 F279 P280 K281 A287 R288	Y251-I283 HydrophobicContact CD2-CD1 4.03Å; Y251-I283 HydrophobicContact CE2-CD1 3.96Å; L254-I283 HydrophobicContact CB-CG1 4.27Å; V255-I283 HydrophobicContact CG2-CD1 3.54Å; V255-I283 HydrophobicContact CG2-CG1 4.08Å; F279-I283 HydrophobicContact CD1-CB 4.47Å; F279-I283 HydrophobicContact CD1-CD1 3.62Å; F279-I283 HydrophobicContact CD1-CG2 4.1Å; F279-I283 HydrophobicContact CE1-CD1 4.38Å; P280-I283 HydrophobicContact CG-CD1 4.12Å; P280-I283 HydrophobicContact CG-CG1 4.26Å; P280-I283 PolarHBondContact O-N 2.86Å; P280-I283 VanDerWaalsContact O-N 3.1Å; K281-I283 VanDerWaalsContact C-N 3.3Å; I283-A287 HydrophobicContact CG2-CB 3.75Å; I283-R288 HydrophobicContact CG2-CB 4.09Å
284	S	97.3	Very high	97.3	Very high	39 Å²	39	58.7 Å²	58.7	27%	0.273	30%	0.302	S	S	.	.			trans	-65.7	154.6	174.9	64.1	0	0	0	0	111.8	D161 V282 G286 A287 R288 W313	D161-S284 WeakPolarHBondContact OD2-CB 3.25Å; D161-S284 PolarHBondContact OD2-OG 2.86Å; V282-S284 PolarHBondContact O-N 3.01Å; S284-G286 PolarHBondContact O-N 3.15Å; S284-A287 PolarHBondContact O-N 2.7Å; S284-A287 VanDerWaalsContact O-N 3.12Å; S284-A287 WeakPolarHBondContact OG-CB 3.3Å; S284-R288 PolarHBondContact O-N 3.39Å; S284-W313 PolarHBondContact OG-NE1 3.03Å
285	D	98.2	Very high	97.3	Very high	131 Å²	131	51 Å²	51	70%	0.701	27%	0.269	S	S	*	.	H	α-helix	trans	-60.5	-35.7	-178.1	-66.7	-30.3	0	0	0	112.3	R288 D289	D285-R288 PolarHBondContact O-N 3.36Å; D285-D289 WeakPolarHBondContact O-CB 3.23Å; D285-D289 PolarHBondContact O-N 2.99Å
286	G	98.4	Very high	97.4	Very high	27 Å²	27	55.1 Å²	55.1	28%	0.278	28%	0.28	S	S	.	.	H	α-helix	trans	-65.6	-39.4	175.7	0	0	0	0	0	113.5	S284 L290 H311 W313	S284-G286 PolarHBondContact O-N 3.15Å; G286-L290 PolarHBondContact O-N 3.33Å; G286-L290 VanDerWaalsContact O-N 3.17Å; G286-H311 PolarHBondContact O-CE1 3.34Å; G286-W313 VanDerWaalsContact C-CG 3.49Å
287	A	98.5	Very high	97.4	Very high	0 Å²	0	55.7 Å²	55.7	0%	0	28%	0.281	C	S	.	.	H	α-helix	trans	-68.8	-42.8	174.4	0	0	0	0	0	111.4	L254 I283 S284 D289 L290 I291 W313	L254-A287 HydrophobicContact CD1-CB 3.62Å; I283-A287 HydrophobicContact CG2-CB 3.75Å; S284-A287 PolarHBondContact O-N 2.7Å; S284-A287 VanDerWaalsContact O-N 3.12Å; S284-A287 WeakPolarHBondContact OG-CB 3.3Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.14Å; A287-L290 PolarHBondContact O-N 3.28Å; A287-I291 VanDerWaalsContact O-CG1 3.3Å; A287-I291 WeakPolarHBondContact O-CG1 3.34Å; A287-I291 PolarHBondContact O-N 3.36Å; A287-W313 HydrophobicContact CB-CD2 4.13Å; A287-W313 HydrophobicContact CB-CH2 4.33Å; A287-W313 HydrophobicContact CB-CZ2 3.71Å
288	R	98.6	Very high	97.5	Very high	90 Å²	90	57.1 Å²	57.1	34%	0.34	29%	0.288	S	S	.	.	H	α-helix	trans	-57	-45	175.1	-177.9	-170.5	-62.6	-109.1	-5.8	111.2	F279 I283 S284 D285 I291 S292	F279-R288 VanDerWaalsContact CB-CZ 3.42Å; F279-R288 HydrophobicContact CD1-CB 4.31Å; F279-R288 HydrophobicContact CD1-CG 3.99Å; F279-R288 HydrophobicContact CD2-CG 3.89Å; F279-R288 HydrophobicContact CE1-CB 4.34Å; F279-R288 HydrophobicContact CE1-CG 4.02Å; F279-R288 HydrophobicContact CE2-CG 3.9Å; F279-R288 HydrophobicContact CG-CG 3.94Å; F279-R288 HydrophobicContact CZ-CG 3.96Å; I283-R288 HydrophobicContact CG2-CB 4.09Å; S284-R288 PolarHBondContact O-N 3.39Å; D285-R288 PolarHBondContact O-N 3.36Å; R288-I291 PolarHBondContact O-N 2.99Å; R288-S292 VanDerWaalsContact O-CB 3.25Å; R288-S292 WeakPolarHBondContact O-CB 3.2Å; R288-S292 PolarHBondContact O-N 3.15Å; R288-S292 PolarHBondContact O-OG 2.93Å
289	D	98.8	Very high	97.6	Very high	64 Å²	64	54.1 Å²	54.1	34%	0.342	27%	0.274	S	S	.	.	H	α-helix	trans	-60.7	-48	177.3	-179	52.5	0	0	0	111.6	D285 A287 S292 K293 H311	D285-D289 WeakPolarHBondContact O-CB 3.23Å; D285-D289 PolarHBondContact O-N 2.99Å; A287-D289 VanDerWaalsContact C-N 3.31Å; A287-D289 PolarHBondContact O-N 3.14Å; D289-S292 PolarHBondContact O-N 2.99Å; D289-K293 VanDerWaalsContact CG-NZ 3.26Å; D289-K293 WeakPolarHBondContact O-CG 3.1Å; D289-K293 PolarHBondContact O-N 3.33Å; D289-K293 WeakPolarHBondContact OD1-CE 3.08Å; D289-K293 IonicContact OD1-NZ 2.78Å; D289-K293 PolarHBondContact OD1-NZ 3.23Å; D289-K293 VanDerWaalsContact OD1-NZ 3.11Å; D289-K293 IonicContact OD2-NZ 3.8Å; D289-K293 PolarHBondContact OD2-NZ 2.7Å; D289-H311 IonicContact OD2-CE1 2.74Å; D289-H311 PolarHBondContact OD2-CE1 2.99Å; D289-H311 IonicContact OD2-NE2 4Å; D289-H311 PolarHBondContact OD2-NE2 2.97Å
290	L	98.9	Very high	97.6	Very high	0 Å²	0	58.7 Å²	58.7	0%	0	30%	0.299	C	S	.	.	H	α-helix	trans	-59.3	-50.7	176.9	176.8	61.2	0	0	0	112	G286 A287 S292 K293 L294 L303 V308 H311 W313 V314	G286-L290 PolarHBondContact O-N 3.33Å; G286-L290 VanDerWaalsContact O-N 3.17Å; A287-L290 PolarHBondContact O-N 3.28Å; L290-S292 VanDerWaalsContact C-N 3.32Å; L290-S292 PolarHBondContact O-N 2.75Å; L290-K293 PolarHBondContact O-N 3.48Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 4.4Å; L290-L294 HydrophobicContact CG-CD1 4.05Å; L290-L294 PolarHBondContact O-N 3.26Å; L290-L294 VanDerWaalsContact O-N 3.09Å; L290-L303 HydrophobicContact CD1-CD2 3.69Å; L290-V308 HydrophobicContact CD1-CB 4.48Å; L290-V308 HydrophobicContact CD1-CG1 4.11Å; L290-V308 HydrophobicContact CD1-CG2 4.3Å; L290-H311 HydrophobicContact CD1-CB 4.15Å; L290-W313 HydrophobicContact CD2-CE3 3.7Å; L290-W313 HydrophobicContact CD2-CZ3 3.84Å; L290-V314 HydrophobicContact CD2-CG2 3.77Å
291	I	98.8	Very high	97.7	Very high	0 Å²	0	60.7 Å²	60.7	0%	0	31%	0.307	C	S	.	.	H	α-helix	trans	-60.3	-44.6	-179.3	-67.4	163.9	0	0	0	110.2	C250 Y251 L254 F279 A287 R288 K293 L294 L295	C250-I291 HydrophobicContact CB-CG1 3.99Å; Y251-I291 HydrophobicContact CD2-CD1 4.41Å; L254-I291 HydrophobicContact CD1-CD1 4.25Å; F279-I291 HydrophobicContact CE1-CB 3.92Å; F279-I291 HydrophobicContact CE1-CD1 4.01Å; F279-I291 HydrophobicContact CE1-CG2 3.74Å; F279-I291 HydrophobicContact CZ-CB 4.14Å; F279-I291 HydrophobicContact CZ-CG2 3.8Å; A287-I291 VanDerWaalsContact O-CG1 3.3Å; A287-I291 WeakPolarHBondContact O-CG1 3.34Å; A287-I291 PolarHBondContact O-N 3.36Å; R288-I291 PolarHBondContact O-N 2.99Å; I291-K293 VanDerWaalsContact C-N 3.27Å; I291-K293 PolarHBondContact O-N 3.26Å; I291-L294 PolarHBondContact O-N 2.94Å; I291-L294 VanDerWaalsContact O-N 3.15Å; I291-L295 HydrophobicContact CG2-CD1 3.64Å; I291-L295 HydrophobicContact CG2-CG 4.17Å; I291-L295 WeakPolarHBondContact O-CB 3.44Å; I291-L295 PolarHBondContact O-N 3.03Å
292	S	98.7	Very high	97.9	Very high	40 Å²	40	50.4 Å²	50.4	28%	0.28	26%	0.262	S	S	.	.	H	α-helix	trans	-65.4	-29.6	-179.2	-57.5	0	0	0	0	112.9	R288 D289 L290 R296	R288-S292 VanDerWaalsContact O-CB 3.25Å; R288-S292 WeakPolarHBondContact O-CB 3.2Å; R288-S292 PolarHBondContact O-N 3.15Å; R288-S292 PolarHBondContact O-OG 2.93Å; D289-S292 PolarHBondContact O-N 2.99Å; L290-S292 VanDerWaalsContact C-N 3.32Å; L290-S292 PolarHBondContact O-N 2.75Å; S292-R296 WeakPolarHBondContact O-CD 3.35Å
293	K	98.8	Very high	98.2	Very high	79 Å²	79	48.7 Å²	48.7	34%	0.343	25%	0.251	S	S	.	.	H	α-helix	trans	-79.6	-24.7	175.1	-71.9	170.5	175	161.7	0	113.2	D289 L290 I291 R296 R302 L303	D289-K293 VanDerWaalsContact CG-NZ 3.26Å; D289-K293 WeakPolarHBondContact O-CG 3.1Å; D289-K293 PolarHBondContact O-N 3.33Å; D289-K293 WeakPolarHBondContact OD1-CE 3.08Å; D289-K293 IonicContact OD1-NZ 2.78Å; D289-K293 PolarHBondContact OD1-NZ 3.23Å; D289-K293 VanDerWaalsContact OD1-NZ 3.11Å; D289-K293 IonicContact OD2-NZ 3.8Å; D289-K293 PolarHBondContact OD2-NZ 2.7Å; L290-K293 PolarHBondContact O-N 3.48Å; I291-K293 VanDerWaalsContact C-N 3.27Å; I291-K293 PolarHBondContact O-N 3.26Å; K293-R296 WeakPolarHBondContact O-CG 3.4Å; K293-R302 WeakPolarHBondContact O-CA 3.39Å; K293-L303 HydrophobicContact CB-CB 4.01Å; K293-L303 HydrophobicContact CB-CD2 4.21Å; K293-L303 HydrophobicContact CB-CG 4.49Å; K293-L303 HydrophobicContact CD-CD1 4.43Å; K293-L303 HydrophobicContact CD-CD2 4.43Å; K293-L303 PolarHBondContact O-N 2.85Å
294	L	98.8	Very high	98.3	Very high	0 Å²	0	51.2 Å²	51.2	0%	0	27%	0.268	C	S	.	.	H	α-helix	trans	-84.6	-44.3	175.2	-75.7	166.7	0	0	0	112.3	M168 L243 I246 L290 I291 R296 R302 L303 V308	M168-L294 HydrophobicContact CE-CD1 4.02Å; L243-L294 HydrophobicContact CB-CD2 4.28Å; I246-L294 HydrophobicContact CD1-CD1 4.4Å; I246-L294 HydrophobicContact CD1-CD2 4.07Å; I246-L294 HydrophobicContact CG1-CD1 4.19Å; I246-L294 HydrophobicContact CG1-CD2 4.13Å; L290-L294 HydrophobicContact CD1-CD1 3.94Å; L290-L294 HydrophobicContact CD1-CG 4.4Å; L290-L294 HydrophobicContact CG-CD1 4.05Å; L290-L294 PolarHBondContact O-N 3.26Å; L290-L294 VanDerWaalsContact O-N 3.09Å; I291-L294 PolarHBondContact O-N 2.94Å; I291-L294 VanDerWaalsContact O-N 3.15Å; L294-R296 VanDerWaalsContact C-N 3.25Å; L294-R296 PolarHBondContact O-N 3.14Å; L294-R302 VanDerWaalsContact O-CG 3.31Å; L294-R302 WeakPolarHBondContact O-CG 3.36Å; L294-L303 HydrophobicContact CD2-CB 4.11Å; L294-L303 HydrophobicContact CG-CB 4.39Å; L294-V308 HydrophobicContact CD1-CG2 4.29Å; L294-V308 HydrophobicContact CD2-CG2 3.75Å; L294-V308 HydrophobicContact CG-CG2 4.35Å
295	L	98.6	Very high	98.4	Very high	4 Å²	4	49.8 Å²	49.8	2%	0.021	26%	0.257	C	S	.	.	S	Bend	trans	-85.1	67.6	-178.6	-61.5	-175.4	0	0	0	110.5	W244 V248 P259 F260 V275 L277 I291	W244-L295 HydrophobicContact CD2-CD2 3.68Å; W244-L295 HydrophobicContact CE3-CB 4.41Å; W244-L295 HydrophobicContact CE3-CD2 3.74Å; W244-L295 HydrophobicContact CG-CD2 4.17Å; W244-L295 HydrophobicContact CH2-CD2 4.33Å; W244-L295 HydrophobicContact CZ2-CD2 4.27Å; W244-L295 HydrophobicContact CZ3-CB 4.12Å; W244-L295 HydrophobicContact CZ3-CD2 4.08Å; W244-L295 WeakPolarHBondContact O-CD2 3.46Å; V248-L295 HydrophobicContact CG2-CD2 3.83Å; P259-L295 HydrophobicContact CG-CD1 4.29Å; F260-L295 HydrophobicContact CE2-CD1 4.28Å; F260-L295 HydrophobicContact CZ-CD1 4.17Å; V275-L295 HydrophobicContact CG1-CB 4.47Å; V275-L295 WeakPolarHBondContact CG1-O 3.31Å; L277-L295 HydrophobicContact CD1-CB 3.84Å; L277-L295 HydrophobicContact CD1-CD1 4Å; L277-L295 HydrophobicContact CD2-CD1 3.65Å; L277-L295 HydrophobicContact CG-CD1 4.44Å; I291-L295 HydrophobicContact CG2-CD1 3.64Å; I291-L295 HydrophobicContact CG2-CG 4.17Å; I291-L295 WeakPolarHBondContact O-CB 3.44Å; I291-L295 PolarHBondContact O-N 3.03Å
296	R	98.6	Very high	98.4	Very high	118 Å²	118	47.6 Å²	47.6	45%	0.445	24%	0.243	S	C	.	.			trans	-103	138.1	172.3	-54.3	-64.9	-66	-169.5	-3.1	109.7	S292 K293 L294 D301 R302	S292-R296 WeakPolarHBondContact O-CD 3.35Å; K293-R296 WeakPolarHBondContact O-CG 3.4Å; L294-R296 VanDerWaalsContact C-N 3.25Å; L294-R296 PolarHBondContact O-N 3.14Å; R296-D301 HydrophobicContact CB-CB 4Å; R296-D301 HydrophobicContact CG-CB 4.16Å; R296-R302 HydrophobicContact CB-CG 3.98Å; R296-R302 PolarHBondContact O-NE 3.41Å; R296-R302 PolarHBondContact O-NH2 3.31Å
297	H	97.9	Very high	98.4	Very high	78 Å²	78	50.3 Å²	50.3	36%	0.361	25%	0.251	S	S	.	.	S	Bend	trans	-56.8	-58.9	177.6	-178.1	-85.2	0	0	0	110.5	E233 T273 V275 P299 R302	E233-H297 IonicContact OE1-CD2 2.92Å; E233-H297 IonicContact OE1-CE1 2.67Å; E233-H297 PolarHBondContact OE1-CE1 3.37Å; E233-H297 IonicContact OE1-NE2 3.48Å; E233-H297 PolarHBondContact OE1-NE2 3.49Å; E233-H297 IonicContact OE2-CE1 3.34Å; E233-H297 IonicContact OE2-NE2 3.61Å; T273-H297 PolarHBondContact O-CD2 3.49Å; V275-H297 HydrophobicContact CG2-CB 3.74Å; H297-P299 WeakPolarHBondContact O-CD 3.32Å; H297-R302 PolarHBondContact O-NH2 2.9Å
298	N	97.4	Very high	98.4	Very high	65 Å²	65	50.3 Å²	50.3	35%	0.348	25%	0.251	S	S	.	.	S	Bend	trans	-69.1	120.7	175	-179.5	3.9	0	0	0	110.8	I300 D301	N298-I300 PolarHBondContact O-N 3.21Å; N298-I300 VanDerWaalsContact O-N 3.14Å; N298-I300 PolarHBondContact OD1-N 2.91Å; N298-D301 WeakPolarHBondContact CB-OD2 2.93Å; N298-D301 PolarHBondContact ND2-OD2 3.22Å; N298-D301 PolarHBondContact O-N 3.07Å; N298-D301 VanDerWaalsContact O-N 3.15Å
299	P	97.4	Very high	98.4	Very high	31 Å²	31	46.8 Å²	46.8	20%	0.201	24%	0.238	C	C	.	.	G	3₁₀ helix	trans	-59.8	-26.4	-177.1	-25.1	34.1	0	0	0	115.2	E230 K240 H297 D301 R302	E230-P299 HydrophobicContact CB-CG 4.47Å; E230-P299 HydrophobicContact CG-CG 4.25Å; K240-P299 HydrophobicContact CB-CB 3.73Å; K240-P299 HydrophobicContact CG-CB 4.24Å; H297-P299 WeakPolarHBondContact O-CD 3.32Å; P299-D301 VanDerWaalsContact C-N 3.31Å; P299-R302 PolarHBondContact O-N 3.41Å
300	I	96.9	Very high	98.4	Very high	133 Å²	133	47.4 Å²	47.4	68%	0.682	24%	0.242	S	C	*	.	G	3₁₀ helix	trans	-72.4	-29.5	-178.1	-60	173	0	0	0	111.1	N298 R302	N298-I300 PolarHBondContact O-N 3.21Å; N298-I300 VanDerWaalsContact O-N 3.14Å; N298-I300 PolarHBondContact OD1-N 2.91Å; I300-R302 VanDerWaalsContact C-N 3.25Å; I300-R302 PolarHBondContact O-N 3.02Å
301	D	98.1	Very high	98.4	Very high	89 Å²	89	47.8 Å²	47.8	48%	0.476	24%	0.244	S	C	.	.	G	3₁₀ helix	trans	-79.7	-8.6	-178	-59.6	-23	0	0	0	112.7	R296 N298 P299	R296-D301 HydrophobicContact CB-CB 4Å; R296-D301 HydrophobicContact CG-CB 4.16Å; N298-D301 WeakPolarHBondContact CB-OD2 2.93Å; N298-D301 PolarHBondContact ND2-OD2 3.22Å; N298-D301 PolarHBondContact O-N 3.07Å; N298-D301 VanDerWaalsContact O-N 3.15Å; P299-D301 VanDerWaalsContact C-N 3.31Å
302	R	98.7	Very high	98.4	Very high	2 Å²	2	52.5 Å²	52.5	1%	0.008	27%	0.274	C	S	.	.	S	Bend	trans	-69.2	135.1	-179.2	-59.4	-176.6	-173.4	143.5	9.1	110.9	E230 K240 L243 K293 L294 R296 H297 P299 I300 P304	E230-R302 IonicContact OE1-CZ 2.82Å; E230-R302 IonicContact OE1-NH1 2.98Å; E230-R302 PolarHBondContact OE1-NH1 2.85Å; E230-R302 IonicContact OE1-NH2 3.78Å; E230-R302 PolarHBondContact OE1-NH2 3.39Å; E230-R302 IonicContact OE2-CZ 2.88Å; E230-R302 IonicContact OE2-NH1 3.15Å; E230-R302 IonicContact OE2-NH2 3.79Å; E230-R302 PolarHBondContact OE2-NH2 3.37Å; K240-R302 PolarHBondContact O-NH1 3.01Å; L243-R302 HydrophobicContact CB-CB 4.22Å; L243-R302 HydrophobicContact CD2-CB 3.98Å; K293-R302 WeakPolarHBondContact O-CA 3.39Å; L294-R302 VanDerWaalsContact O-CG 3.31Å; L294-R302 WeakPolarHBondContact O-CG 3.36Å; R296-R302 HydrophobicContact CB-CG 3.98Å; R296-R302 PolarHBondContact O-NE 3.41Å; R296-R302 PolarHBondContact O-NH2 3.31Å; H297-R302 PolarHBondContact O-NH2 2.9Å; P299-R302 PolarHBondContact O-N 3.41Å; I300-R302 VanDerWaalsContact C-N 3.25Å; I300-R302 PolarHBondContact O-N 3.02Å; R302-P304 WeakPolarHBondContact O-CD 3.21Å
303	L	98.6	Very high	98.4	Very high	25 Å²	25	51.2 Å²	51.2	13%	0.131	26%	0.263	C	S	.	.	P	Polyproline II helix	trans	-54.4	122.1	178.9	-165.6	65.4	0	0	0	111.6	L243 L290 K293 L294 N307 V308	L243-L303 VanDerWaalsContact CD2-O 3.24Å; L243-L303 WeakPolarHBondContact CD2-O 3.46Å; L290-L303 HydrophobicContact CD1-CD2 3.69Å; K293-L303 HydrophobicContact CB-CB 4.01Å; K293-L303 HydrophobicContact CB-CD2 4.21Å; K293-L303 HydrophobicContact CB-CG 4.49Å; K293-L303 HydrophobicContact CD-CD1 4.43Å; K293-L303 HydrophobicContact CD-CD2 4.43Å; K293-L303 PolarHBondContact O-N 2.85Å; L294-L303 HydrophobicContact CD2-CB 4.11Å; L294-L303 HydrophobicContact CG-CB 4.39Å; L303-N307 HydrophobicContact CD1-CB 3.61Å; L303-N307 HydrophobicContact CD2-CB 4.41Å; L303-N307 HydrophobicContact CG-CB 3.79Å; L303-V308 HydrophobicContact CD2-CG2 4.02Å; L303-V308 HydrophobicContact CG-CG2 4.32Å
304	P	98.4	Very high	98.4	Very high	60 Å²	60	47.4 Å²	47.4	39%	0.39	25%	0.247	S	C	.	.	P	Polyproline II helix	trans	-60.1	151.1	176	-23.9	34.3	0	0	0	112.6	R302 Q306 N307 V308	R302-P304 WeakPolarHBondContact O-CD 3.21Å; P304-Q306 VanDerWaalsContact C-N 3.34Å; P304-Q306 PolarHBondContact O-N 2.87Å; P304-N307 CarbonylContact O-C 3.51Å; P304-N307 WeakPolarHBondContact O-CA 3.34Å; P304-N307 WeakPolarHBondContact O-CB 3.37Å; P304-N307 PolarHBondContact O-N 3.32Å; P304-V308 PolarHBondContact O-N 2.92Å
305	L	98.5	Very high	98.4	Very high	10 Å²	10	53.3 Å²	53.3	5%	0.052	27%	0.272	C	S	.	.	H	α-helix	trans	-58.5	-39.7	-175.4	-64.4	171.3	0	0	0	113.7	L175 M176 L243 I246 N307 V308 I309	L175-L305 HydrophobicContact CB-CD1 3.64Å; L175-L305 HydrophobicContact CB-CD2 4.26Å; L175-L305 HydrophobicContact CD1-CD2 4.36Å; M176-L305 HydrophobicContact CB-CD1 4.43Å; M176-L305 HydrophobicContact CG-CB 3.37Å; M176-L305 HydrophobicContact CG-CD1 3.74Å; M176-L305 HydrophobicContact CG-CG 4.21Å; M176-L305 HydrophobicContact SD-CB 3.92Å; L243-L305 HydrophobicContact CD1-CD1 4.36Å; L243-L305 HydrophobicContact CD1-CD2 3.99Å; L243-L305 HydrophobicContact CD1-CG 3.95Å; L243-L305 HydrophobicContact CG-CD2 4.18Å; L243-L305 HydrophobicContact CG-CG 4.36Å; I246-L305 HydrophobicContact CD1-CD2 3.59Å; L305-N307 VanDerWaalsContact C-N 3.27Å; L305-N307 PolarHBondContact O-N 3.22Å; L305-V308 WeakPolarHBondContact O-CB 3.46Å; L305-V308 PolarHBondContact O-N 3.38Å; L305-I309 PolarHBondContact O-N 3.42Å; L305-I309 VanDerWaalsContact O-N 3.16Å
306	Q	98.3	Very high	98.3	Very high	85 Å²	85	56.2 Å²	56.2	40%	0.397	30%	0.297	S	S	.	.	H	α-helix	trans	-58.7	-41.9	174.1	-176.8	61	57.8	0	0	111.1	M176 P304 V308 I309 D310	M176-Q306 HydrophobicContact CE-CB 4.47Å; M176-Q306 VanDerWaalsContact CE-OE1 3.28Å; M176-Q306 HydrophobicContact SD-CB 4.17Å; P304-Q306 VanDerWaalsContact C-N 3.34Å; P304-Q306 PolarHBondContact O-N 2.87Å; Q306-V308 VanDerWaalsContact C-N 3.27Å; Q306-V308 PolarHBondContact O-N 3.42Å; Q306-I309 WeakPolarHBondContact O-CB 3.3Å; Q306-I309 PolarHBondContact O-N 2.96Å; Q306-D310 PolarHBondContact NE2-OD2 3.18Å; Q306-D310 PolarHBondContact O-N 3.49Å
307	N	98.6	Very high	98.3	Very high	83 Å²	83	52.7 Å²	52.7	44%	0.444	29%	0.287	S	S	.	.	H	α-helix	trans	-72.3	-19.2	178.1	-63	58	0	0	0	113	L303 P304 L305 H311	L303-N307 HydrophobicContact CD1-CB 3.61Å; L303-N307 HydrophobicContact CD2-CB 4.41Å; L303-N307 HydrophobicContact CG-CB 3.79Å; P304-N307 CarbonylContact O-C 3.51Å; P304-N307 WeakPolarHBondContact O-CA 3.34Å; P304-N307 WeakPolarHBondContact O-CB 3.37Å; P304-N307 PolarHBondContact O-N 3.32Å; L305-N307 VanDerWaalsContact C-N 3.27Å; L305-N307 PolarHBondContact O-N 3.22Å; N307-H311 WeakPolarHBondContact O-CB 3.38Å; N307-H311 PolarHBondContact O-N 3.21Å
308	V	98.8	Very high	98.4	Very high	0 Å²	0	49.7 Å²	49.7	0%	0	27%	0.274	C	S	.	.	H	α-helix	trans	-69.3	-47.6	167.8	177.1	0	0	0	0	109.8	M168 S172 I246 L290 L294 L303 P304 L305 Q306 D310 H311 V314	M168-V308 HydrophobicContact CE-CG1 4.09Å; S172-V308 VanDerWaalsContact OG-CG1 3.24Å; S172-V308 WeakPolarHBondContact OG-CG1 3.19Å; I246-V308 HydrophobicContact CD1-CG2 4.29Å; L290-V308 HydrophobicContact CD1-CB 4.48Å; L290-V308 HydrophobicContact CD1-CG1 4.11Å; L290-V308 HydrophobicContact CD1-CG2 4.3Å; L294-V308 HydrophobicContact CD1-CG2 4.29Å; L294-V308 HydrophobicContact CD2-CG2 3.75Å; L294-V308 HydrophobicContact CG-CG2 4.35Å; L303-V308 HydrophobicContact CD2-CG2 4.02Å; L303-V308 HydrophobicContact CG-CG2 4.32Å; P304-V308 PolarHBondContact O-N 2.92Å; L305-V308 WeakPolarHBondContact O-CB 3.46Å; L305-V308 PolarHBondContact O-N 3.38Å; Q306-V308 VanDerWaalsContact C-N 3.27Å; Q306-V308 PolarHBondContact O-N 3.42Å; V308-D310 VanDerWaalsContact C-N 3.27Å; V308-D310 PolarHBondContact O-N 2.89Å; V308-H311 WeakPolarHBondContact O-CB 3.33Å; V308-H311 PolarHBondContact O-N 3.41Å; V308-H311 VanDerWaalsContact O-N 3.14Å; V308-V314 WeakPolarHBondContact O-CB 3.46Å; V308-V314 VanDerWaalsContact O-CG2 3.31Å; V308-V314 WeakPolarHBondContact O-CG2 3.42Å
309	I	98.5	Very high	98.4	Very high	17 Å²	17	53.8 Å²	53.8	9%	0.087	29%	0.285	C	S	.	.	H	α-helix	trans	-59.9	-41	176.5	-63.7	170.1	0	0	0	110.6	E169 D173 M176 L305 Q306 H311 K315	E169-I309 HydrophobicContact CG-CG1 4.45Å; E169-I309 HydrophobicContact CG-CG2 4.21Å; D173-I309 HydrophobicContact CB-CD1 4.15Å; M176-I309 HydrophobicContact SD-CD1 3.68Å; L305-I309 PolarHBondContact O-N 3.42Å; L305-I309 VanDerWaalsContact O-N 3.16Å; Q306-I309 WeakPolarHBondContact O-CB 3.3Å; Q306-I309 PolarHBondContact O-N 2.96Å; I309-H311 VanDerWaalsContact C-N 3.3Å; I309-H311 PolarHBondContact O-N 2.89Å; I309-K315 VanDerWaalsContact O-CE 3.25Å; I309-K315 WeakPolarHBondContact O-CE 3.37Å
310	D	98.6	Very high	98.3	Very high	77 Å²	77	54.1 Å²	54.1	41%	0.412	28%	0.282	S	S	.	.	T	Hydrogen-bonded Turn	trans	-85.2	2.2	179.8	-63.4	-37.4	0	0	0	114.4	Q306 V308 K315	Q306-D310 PolarHBondContact NE2-OD2 3.18Å; Q306-D310 PolarHBondContact O-N 3.49Å; V308-D310 VanDerWaalsContact C-N 3.27Å; V308-D310 PolarHBondContact O-N 2.89Å; D310-K315 WeakPolarHBondContact OD1-CE 3.41Å; D310-K315 IonicContact OD1-NZ 3.81Å; D310-K315 PolarHBondContact OD1-NZ 2.78Å
311	H	98.8	Very high	98	Very high	8 Å²	8	53.4 Å²	53.4	4%	0.037	28%	0.279	C	S	.	.			trans	-63.1	134.9	179.3	-163.5	-92.6	0	0	0	110.6	G286 D289 L290 N307 V308 I309 W313 V314 K315	G286-H311 PolarHBondContact O-CE1 3.34Å; D289-H311 IonicContact OD2-CE1 2.74Å; D289-H311 PolarHBondContact OD2-CE1 2.99Å; D289-H311 IonicContact OD2-NE2 4Å; D289-H311 PolarHBondContact OD2-NE2 2.97Å; L290-H311 HydrophobicContact CD1-CB 4.15Å; N307-H311 WeakPolarHBondContact O-CB 3.38Å; N307-H311 PolarHBondContact O-N 3.21Å; V308-H311 WeakPolarHBondContact O-CB 3.33Å; V308-H311 PolarHBondContact O-N 3.41Å; V308-H311 VanDerWaalsContact O-N 3.14Å; I309-H311 VanDerWaalsContact C-N 3.3Å; I309-H311 PolarHBondContact O-N 2.89Å; H311-W313 VanDerWaalsContact C-N 3.26Å; H311-W313 PolarHBondContact ND1-N 2.83Å; H311-W313 PolarHBondContact O-N 3.06Å; H311-W313 VanDerWaalsContact O-N 3.15Å; H311-V314 HydrophobicContact CB-CB 4.3Å; H311-V314 HydrophobicContact CB-CG2 4.1Å; H311-V314 PolarHBondContact O-N 3.12Å; H311-K315 PolarHBondContact O-N 2.97Å
312	P	98.7	Very high	97.4	Very high	99 Å²	99	54.7 Å²	54.7	64%	0.643	29%	0.285	S	S	*	.	H	α-helix	trans	-53.6	-41.4	-177.1	-29.1	35.3	0	0	0	113.5	V314 K315 A316	P312-V314 PolarHBondContact O-N 3.32Å; P312-K315 PolarHBondContact O-N 3.47Å; P312-A316 VanDerWaalsContact O-CB 3.25Å; P312-A316 WeakPolarHBondContact O-CB 3.45Å; P312-A316 PolarHBondContact O-N 3.19Å
313	W	98.8	Very high	96.4	Very high	12 Å²	12	55.9 Å²	55.9	5%	0.045	29%	0.294	C	S	.	.	H	α-helix	trans	-64.4	-37.4	176.8	-179.4	82.1	0	0	0	113.1	D161 T164 A165 L254 S284 G286 A287 L290 H311 N317	D161-W313 HydrophobicContact CB-CZ2 3.82Å; D161-W313 PolarHBondContact OD2-NE1 3.07Å; T164-W313 HydrophobicContact CG2-CH2 3.95Å; A165-W313 HydrophobicContact CB-CE3 4.22Å; A165-W313 HydrophobicContact CB-CH2 3.97Å; A165-W313 HydrophobicContact CB-CZ2 4.45Å; A165-W313 HydrophobicContact CB-CZ3 3.83Å; L254-W313 HydrophobicContact CD1-CH2 4.3Å; L254-W313 HydrophobicContact CD1-CZ2 4.27Å; L254-W313 HydrophobicContact CD2-CZ2 4.43Å; S284-W313 PolarHBondContact OG-NE1 3.03Å; G286-W313 VanDerWaalsContact C-CG 3.49Å; A287-W313 HydrophobicContact CB-CD2 4.13Å; A287-W313 HydrophobicContact CB-CH2 4.33Å; A287-W313 HydrophobicContact CB-CZ2 3.71Å; L290-W313 HydrophobicContact CD2-CE3 3.7Å; L290-W313 HydrophobicContact CD2-CZ3 3.84Å; H311-W313 VanDerWaalsContact C-N 3.26Å; H311-W313 PolarHBondContact ND1-N 2.83Å; H311-W313 PolarHBondContact O-N 3.06Å; H311-W313 VanDerWaalsContact O-N 3.15Å; W313-N317 VanDerWaalsContact CD1-ND2 3.32Å; W313-N317 PolarHBondContact NE1-ND2 2.86Å; W313-N317 WeakPolarHBondContact O-CB 3.49Å; W313-N317 PolarHBondContact O-N 3.3Å; W313-N317 PolarHBondContact O-ND2 2.94Å
314	V	98.8	Very high	95.3	Very high	0 Å²	0	59.8 Å²	59.8	0%	0	32%	0.32	C	S	.	.	H	α-helix	trans	-70	-48	177.3	175.1	0	0	0	0	110.1	M168 E169 L290 V308 H311 P312 A316 N317 S318	M168-V314 HydrophobicContact CB-CG2 4.4Å; E169-V314 HydrophobicContact CB-CG1 3.98Å; L290-V314 HydrophobicContact CD2-CG2 3.77Å; V308-V314 WeakPolarHBondContact O-CB 3.46Å; V308-V314 VanDerWaalsContact O-CG2 3.31Å; V308-V314 WeakPolarHBondContact O-CG2 3.42Å; H311-V314 HydrophobicContact CB-CB 4.3Å; H311-V314 HydrophobicContact CB-CG2 4.1Å; H311-V314 PolarHBondContact O-N 3.12Å; P312-V314 PolarHBondContact O-N 3.32Å; V314-A316 VanDerWaalsContact C-N 3.28Å; V314-A316 PolarHBondContact O-N 3.07Å; V314-N317 PolarHBondContact O-N 3.25Å; V314-S318 WeakPolarHBondContact O-CB 3.42Å; V314-S318 PolarHBondContact O-N 3.36Å
315	K	98.5	Very high	94	Very high	124 Å²	124	62.9 Å²	62.9	54%	0.539	34%	0.339	S	S	.	.	H	α-helix	trans	-60.1	-36.4	177.7	-69.7	-71.8	-175.7	-177.7	0	113	I309 D310 H311 P312	I309-K315 VanDerWaalsContact O-CE 3.25Å; I309-K315 WeakPolarHBondContact O-CE 3.37Å; D310-K315 WeakPolarHBondContact OD1-CE 3.41Å; D310-K315 IonicContact OD1-NZ 3.81Å; D310-K315 PolarHBondContact OD1-NZ 2.78Å; H311-K315 PolarHBondContact O-N 2.97Å; P312-K315 PolarHBondContact O-N 3.47Å
316	A	98.4	Very high	91.9	Very high	65 Å²	65	68.1 Å²	68.1	54%	0.537	37%	0.374	S	S	.	.	H	α-helix	trans	-72.9	-33.1	-179.7	0	0	0	0	0	113.2	P312 V314	P312-A316 VanDerWaalsContact O-CB 3.25Å; P312-A316 WeakPolarHBondContact O-CB 3.45Å; P312-A316 PolarHBondContact O-N 3.19Å; V314-A316 VanDerWaalsContact C-N 3.28Å; V314-A316 PolarHBondContact O-N 3.07Å
317	N	98.6	Very high	89.3	Confident	43 Å²	43	69.3 Å²	69.3	23%	0.23	39%	0.39	C	S	.	.	H	α-helix	trans	-109.7	-26.1	-169.3	-68.9	-72.5	0	0	0	114.4	Q162 A165 W313 V314	Q162-N317 WeakPolarHBondContact CA-O 3.38Å; Q162-N317 VanDerWaalsContact CG-O 3.25Å; Q162-N317 WeakPolarHBondContact CG-O 3.45Å; A165-N317 HydrophobicContact CB-CB 3.52Å; W313-N317 VanDerWaalsContact CD1-ND2 3.32Å; W313-N317 PolarHBondContact NE1-ND2 2.86Å; W313-N317 WeakPolarHBondContact O-CB 3.49Å; W313-N317 PolarHBondContact O-N 3.3Å; W313-N317 PolarHBondContact O-ND2 2.94Å; V314-N317 PolarHBondContact O-N 3.25Å
318	S	98.5	Very high	86.7	Confident	15 Å²	15	71.4 Å²	71.4	11%	0.105	41%	0.406	C	S	.	.			trans	-65	140.3	-176.9	-179.6	0	0	0	0	112.2	T166 E169 V314 R320	T166-S318 WeakPolarHBondContact CA-OG 3.35Å; E169-S318 WeakPolarHBondContact OE2-CB 3.49Å; E169-S318 PolarHBondContact OE2-OG 2.9Å; V314-S318 WeakPolarHBondContact O-CB 3.42Å; V314-S318 PolarHBondContact O-N 3.36Å; S318-R320 PolarHBondContact OG-N 3.45Å
319	R	97.3	Very high	83.9	Confident	152 Å²	152	78 Å²	78	57%	0.574	43%	0.434	S	S	*	.			trans	-123.6	33.6	173.3	-58.4	-61.8	-178	-152.4	-0.6	110.9	Q162 T166 L321	Q162-R319 VanDerWaalsContact CD-CG 3.48Å; Q162-R319 HydrophobicContact CG-CB 4.48Å; Q162-R319 HydrophobicContact CG-CG 3.58Å; T166-R319 PolarHBondContact OG1-N 3.09Å; R319-L321 PolarHBondContact O-N 3.34Å
320	R	96.5	Very high	80.9	Confident	38 Å²	38	86.5 Å²	86.5	14%	0.143	47%	0.471	C	S	.	.			trans	-54.1	130.7	-177.3	-172.9	179.2	-176.5	-158	0	111.5	N123 T166 E169 E170 D173 S318	N123-R320 PolarHBondContact OD1-NH2 3.44Å; T166-R320 HydrophobicContact CG2-CB 4.21Å; E169-R320 VanDerWaalsContact CD-CD 3.43Å; E169-R320 VanDerWaalsContact OE1-CD 3.23Å; E169-R320 WeakPolarHBondContact OE1-CD 3.4Å; E169-R320 IonicContact OE1-NH1 2.98Å; E169-R320 WeakPolarHBondContact OE2-CB 3.35Å; E170-R320 HydrophobicContact CG-CG 3.76Å; D173-R320 IonicContact OD2-CZ 2.76Å; D173-R320 IonicContact OD2-NH1 3.79Å; D173-R320 PolarHBondContact OD2-NH1 2.95Å; D173-R320 IonicContact OD2-NH2 3.15Å; D173-R320 PolarHBondContact OD2-NH2 2.93Å; S318-R320 PolarHBondContact OG-N 3.45Å
321	L	90.9	Very high	78.7	Confident	117 Å²	117	91 Å²	91	61%	0.613	50%	0.504	S	S	*	.			trans	-120.2	117.7	174.3	-64.8	177.2	0	0	0	108.9	R319	R319-L321 PolarHBondContact O-N 3.34Å
322	L	84.9	Confident	77.6	Confident	116 Å²	116	95.2 Å²	95.2	61%	0.607	53%	0.527	S	S	*	.	P	Polyproline II helix	trans	-67.8	138.6	174.8	-67.7	178.5	0	0	0	110.3	P122	P122-L322 HydrophobicContact CG-CD2 4.3Å
323	P	76.8	Confident	76.5	Confident	28 Å²	28	94.9 Å²	94.9	18%	0.182	52%	0.521	C	S	.	.	P	Polyproline II helix	trans	-58.6	145.6	172	-22.6	32.4	0	0	0	111.8	P122 R198 E200 T325	P122-P323 HydrophobicContact CB-CG 3.98Å; R198-P323 VanDerWaalsContact NH2-CA 3.31Å; E200-P323 HydrophobicContact CG-CG 4.45Å; P323-T325 PolarHBondContact O-N 3.17Å
324	P	76.1	Confident	75.3	Confident	106 Å²	106	99.6 Å²	99.6	69%	0.688	55%	0.548	S	S	*	.	P	Polyproline II helix	trans	-53.8	119.2	173.2	-18.3	25.8	0	0	0	108.9
325	T	72.1	Confident	73.9	Confident	126 Å²	126	105.4 Å²	105.4	77%	0.773	58%	0.58	S	S	*	*	P	Polyproline II helix	trans	-80.8	135.8	169	51.9	0	0	0	0	107.6	P323 P327	P323-T325 PolarHBondContact O-N 3.17Å; T325-P327 WeakPolarHBondContact O-CD 3.46Å
326	C	53.6	Low	72.4	Confident	119 Å²	119	104.3 Å²	104.3	80%	0.804	58%	0.582	S	S	*	*	P	Polyproline II helix	trans	-66.4	120.6	167.4	-153.2	0	0	0	0	106	T328	C326-T328 PolarHBondContact O-N 3.47Å
327	P	43.7	Very low	70.6	Confident	111 Å²	111	106.9 Å²	106.9	72%	0.721	59%	0.585	S	S	*	*	P	Polyproline II helix	trans	-58.7	116.8	-176.7	20	-29.4	0	0	0	108.6	T325 K329	T325-P327 WeakPolarHBondContact O-CD 3.46Å; P327-K329 PolarHBondContact O-N 3Å
328	T	43.8	Very low	68.6	Low	127 Å²	127	111.4 Å²	111.4	78%	0.779	61%	0.611	S	S	*	*			trans	-58.2	110.6	163.9	48	0	0	0	0	105.7	C326 K330	C326-T328 PolarHBondContact O-N 3.47Å; T328-K330 PolarHBondContact O-N 2.9Å
329	K	39.9	Very low	66.4	Low	138 Å²	138	118.8 Å²	118.8	60%	0.6	65%	0.65	S	S	*	*			trans	-49.8	118	167.6	-76.7	175.6	170.3	-173.7	0	106.2	P43 P327	P43-K329 HydrophobicContact CG-CD 3.65Å; P43-K329 PolarHBondContact O-NZ 3.19Å; P327-K329 PolarHBondContact O-N 3Å
330	K	35.3	Very low	63.8	Low	196 Å²	196	116.1 Å²	116.1	85%	0.852	66%	0.656	S	S	*	*			trans	-54.4	138.8	174.9	-78.7	-177.6	176.2	-179.8	0	107.3	T328	T328-K330 PolarHBondContact O-N 2.9Å
331	P	51.6	Low	60.8	Low	171 Å²	171	123.2 Å²	123.2	100%	1.11	70%	0.703	S	S	*	*			trans	-56	0	-177.9	24.5	-33.9	0	0	0	112.2	V40	V40-P331 HydrophobicContact CG1-CB 4.27Å

Retrieved 331 of 331 residues in 276.4 ms (Link to these results)

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