A0A093HVS0_STRCA Loading...

Suppressor of cytokine signaling 1

Essential negative regulator of type I and type II interferon (IFN) signaling, as well as that of other cytokines, including IL2, IL4, IL6 and leukemia inhibitory factor (LIF). Downregulates cytokine signaling by inhibiting the JAK/STAT signaling pathway. Acts by binding to JAK proteins and to IFNGR1 and inhibiting their kinase activity. In vitro, suppresses Tec protein-tyrosine activity. Regulates IFN-gamma (IFNG)-mediated sensory neuron survival. Probable substrate recognition component of an ECS (Elongin BC-CUL2/5-SOCS-box protein) E3 ubiquitin ligase complex which mediates the ubiquitination and subsequent proteasomal degradation of target proteins.

AlphaFold DB , UniProt , Accession A0A093HVS0, Species STRCA (Struthio camelus australis), Gene n/a, Length 207 aa.

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(Predicted Aligned Error values between residue pairs)

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Site	Residue	pLDDT	pLDDT confidence	pLDDT₁₀	pLDDT10 confidence	SASA	SASA [Å²]	SASA₁₀	SASA10 [Å²]	RSA	RSA unformatted	RSA₁₀	RSA10 unformatted	Surface	Surface10 (not used)	Disorder (not used)	Disorder	Sec. str.	Secondary structure	Isomer	Phi (φ)	Psi (ψ)	Omega (ω)	Chi 1 (χ₁)	Chi 2 (χ₂)	Chi 3 (χ₃)	Chi 4 (χ₄)	Chi 5 (χ₅)	Tau (τ)	Contacts (colored by PAE)	Contact details
1	M	39.7	Very low	33.3	Very low	234 Å²	234	138.1 Å²	138.1	100%	1.153	79%	0.787	S	S	*	*				0	95.3	0	-75.5	170.6	-174	0	0	106.4
2	V	33.3	Very low	33.2	Very low	138 Å²	138	132.8 Å²	132.8	84%	0.836	77%	0.773	S	S	*	*				59.2	97.6	90.6	-173.9	0	0	0	0	109.4
3	A	29.8	Very low	33.3	Very low	72 Å²	72	134 Å²	134	60%	0.595	78%	0.783	S	S	*	*				86.8	134.9	61	0	0	0	0	0	114.5
4	H	33	Very low	33	Very low	179 Å²	179	130.8 Å²	130.8	83%	0.829	78%	0.779	S	S	*	*			trans	73.8	146.9	159.5	-64.2	-62.7	0	0	0	118.1
5	S	32.8	Very low	33	Very low	97 Å²	97	128.7 Å²	128.7	68%	0.678	78%	0.782	S	S	*	*			cis	-179.8	171.7	1.2	-98.1	0	0	0	0	109.9
6	K	35.3	Very low	33.2	Very low	197 Å²	197	128.1 Å²	128.1	86%	0.857	77%	0.773	S	S	*	*			trans	109.5	114.1	161	-68.7	-175.6	172.3	-177.5	0	114.5
7	V	34.6	Very low	33.4	Very low	134 Å²	134	127.8 Å²	127.8	81%	0.812	78%	0.775	S	S	*	*			cis	59.6	122.8	31.9	-174.1	0	0	0	0	111.5
8	S	33	Very low	33.4	Very low	99 Å²	99	132.4 Å²	132.4	69%	0.692	78%	0.776	S	S	*	*			cis	-157.6	156.1	34.9	-116.6	0	0	0	0	111
9	A	34.4	Very low	33.2	Very low	80 Å²	80	132.5 Å²	132.5	66%	0.661	78%	0.783	S	S	*	*				59.2	141.4	99.7	0	0	0	0	0	115.3
10	D	30.8	Very low	33.2	Very low	141 Å²	141	133.3 Å²	133.3	75%	0.754	78%	0.782	S	S	*	*			cis	-171.1	167.7	33.5	-125.7	-28.1	0	0	0	112.6
11	N	29.8	Very low	33	Very low	148 Å²	148	135.2 Å²	135.2	79%	0.791	79%	0.788	S	S	*	*			trans	73.4	152.2	151.7	-76.9	-19	0	0	0	122.1
12	A	31.9	Very low	32.7	Very low	75 Å²	75	130.6 Å²	130.6	62%	0.62	77%	0.769	S	S	*	*			cis	165.7	172.8	-26.1	0	0	0	0	0	106.2
13	V	34.3	Very low	33.1	Very low	148 Å²	148	129.2 Å²	129.2	90%	0.897	76%	0.762	S	S	*	*			trans	91	136.2	170.6	-171.9	0	0	0	0	115
14	A	29.9	Very low	33.4	Very low	89 Å²	89	131.7 Å²	131.7	74%	0.736	77%	0.772	S	S	*	*			cis	179.6	148.2	-26.9	0	0	0	0	0	105.7
15	A	32.3	Very low	33.4	Very low	100 Å²	100	127.8 Å²	127.8	83%	0.826	77%	0.771	S	S	*	*				150.7	113.2	125.2	0	0	0	0	0	113
16	D	35.8	Very low	33.5	Very low	118 Å²	118	135.2 Å²	135.2	63%	0.631	78%	0.784	S	S	*	*			trans	-74.9	154.6	155.6	-172.1	6.3	0	0	0	108.5	R18	D16-R18 PolarHBondContact OD1-N 2.85Å
17	P	37.3	Very low	33.2	Very low	124 Å²	124	133 Å²	133	81%	0.805	78%	0.782	S	S	*	*				-142.8	134.6	111.4	31.6	-14.3	0	0	0	114.9
18	R	33.8	Very low	33.2	Very low	211 Å²	211	136.9 Å²	136.9	80%	0.796	78%	0.782	S	S	*	*			trans	-62	142.3	157.8	-64.2	173.4	165.5	142.3	-2.7	111.7	D16	D16-R18 PolarHBondContact OD1-N 2.85Å
19	C	28.4	Very low	33.2	Very low	133 Å²	133	137.4 Å²	137.4	90%	0.899	79%	0.785	S	S	*	*			trans	-153.7	118	139.5	-101.3	0	0	0	0	110.8
20	L	32.9	Very low	33.2	Very low	149 Å²	149	141 Å²	141	78%	0.78	79%	0.789	S	S	*	*			trans	-52	153.6	157	-104	76.2	0	0	0	110.6
21	L	29.4	Very low	33.3	Very low	173 Å²	173	138.7 Å²	138.7	91%	0.906	79%	0.789	S	S	*	*				-173.2	142.3	125.3	-92.6	167.1	0	0	0	111.3
22	D	34.5	Very low	33.4	Very low	138 Å²	138	142.8 Å²	142.8	74%	0.738	79%	0.793	S	S	*	*	P	Polyproline II helix	trans	-64.9	171.9	-166.4	-86.8	-60.1	0	0	0	118.9
23	P	41.1	Very low	33.7	Very low	109 Å²	109	146.5 Å²	146.5	71%	0.708	80%	0.801	S	S	*	*	P	Polyproline II helix	trans	-86.1	153.6	-173.1	34.6	-34.1	0	0	0	113.4
24	P	36.6	Very low	33.5	Very low	124 Å²	124	150.1 Å²	150.1	81%	0.805	80%	0.8	S	S	*	*	P	Polyproline II helix	trans	-95.7	129.6	170.7	33.5	-26.3	0	0	0	112.9
25	A	31.7	Very low	33.7	Very low	97 Å²	97	155.3 Å²	155.3	80%	0.802	81%	0.809	S	S	*	*			trans	63.5	112.1	132.7	0	0	0	0	0	120.2	D27	A25-D27 PolarHBondContact O-N 3.26Å
26	R	34.8	Very low	34	Very low	253 Å²	253	153.4 Å²	153.4	96%	0.955	80%	0.799	S	S	*	*			trans	-48.6	127.7	145.8	-68.3	172.1	172.4	175.5	-2.6	109.7
27	D	29.8	Very low	34.1	Very low	151 Å²	151	154.7 Å²	154.7	81%	0.807	81%	0.814	S	S	*	*			trans	-115.2	136.2	151	-159.2	3.8	0	0	0	110.1	A25	A25-D27 PolarHBondContact O-N 3.26Å
28	R	34	Very low	34	Very low	214 Å²	214	152.2 Å²	152.2	81%	0.808	81%	0.811	S	S	*	*			trans	-114.4	90.7	-165.9	-174.9	-170.7	-165.8	-168.7	4.7	105.8
29	S	33.8	Very low	34.5	Very low	110 Å²	110	153.3 Å²	153.3	77%	0.769	82%	0.815	S	S	*	*			trans	-109.5	103.2	167.4	-19	0	0	0	0	108.7
30	Q	33.8	Very low	35.1	Very low	157 Å²	157	153.2 Å²	153.2	73%	0.734	81%	0.813	S	S	*	*			trans	-65.6	126.8	171.9	-76.5	168.3	-30.8	0	0	110.4
31	A	33.2	Very low	35.2	Very low	91 Å²	91	149.3 Å²	149.3	75%	0.752	81%	0.808	S	S	*	*			trans	-130.9	100.8	147.3	0	0	0	0	0	107.6	I33	A31-I33 PolarHBondContact O-N 3.38Å
32	R	33	Very low	35.8	Very low	234 Å²	234	146.9 Å²	146.9	88%	0.883	80%	0.8	S	S	*	*			trans	-66.3	115.9	168.7	-81.3	178.6	165.6	169	-4.6	108
33	I	37	Very low	36.2	Very low	153 Å²	153	147 Å²	147	79%	0.785	81%	0.806	S	S	*	*			trans	-120.4	127.3	160.9	-58.6	-175.3	0	0	0	107.8	A31	A31-I33 PolarHBondContact O-N 3.38Å
34	Y	30.3	Very low	36.5	Very low	224 Å²	224	149.4 Å²	149.4	88%	0.878	81%	0.808	S	S	*	*			trans	-54.8	140.2	-169.8	-73	-96.9	0	0	0	114.2
35	H	33.6	Very low	37	Very low	199 Å²	199	147.8 Å²	147.8	92%	0.921	81%	0.805	S	S	*	*			trans	-72.5	124.6	168.7	-70.6	-70.7	0	0	0	111
36	G	38.4	Very low	37.8	Very low	60 Å²	60	150.7 Å²	150.7	62%	0.619	80%	0.802	S	S	*	*			trans	-108.7	147.4	153.7	0	0	0	0	0	109.4	G38	G36-G38 PolarHBondContact O-N 3.23Å
37	P	38.4	Very low	38.7	Very low	144 Å²	144	143.1 Å²	143.1	94%	0.935	79%	0.788	S	S	*	*			trans	-78.5	92	-175.9	31.7	-30.7	0	0	0	109.8
38	G	35.3	Very low	39.9	Very low	72 Å²	72	143.5 Å²	143.5	74%	0.742	79%	0.789	S	S	*	*			trans	-79.9	129.4	169.7	0	0	0	0	0	111	G36	G36-G38 PolarHBondContact O-N 3.23Å
39	R	45.6	Very low	41.5	Very low	235 Å²	235	137.1 Å²	137.1	89%	0.887	77%	0.774	S	S	*	*			trans	-42.3	149.8	178.1	-70.6	171.9	170.1	-173.9	-4.2	113.9	G41	R39-G41 PolarHBondContact O-N 2.85Å
40	P	38.9	Very low	43.5	Very low	131 Å²	131	134.7 Å²	134.7	85%	0.851	75%	0.751	S	S	*	*			trans	-62.7	103.7	167.9	-10.9	24.7	0	0	0	109.1	T42	P40-T42 PolarHBondContact O-N 3.31Å; P40-T42 VanDerWaalsContact O-N 3.16Å
41	G	36.6	Very low	45.6	Very low	66 Å²	66	130.4 Å²	130.4	68%	0.68	73%	0.73	S	S	*	*			trans	-64.4	110.8	164	0	0	0	0	0	107.5	R39 V43	R39-G41 PolarHBondContact O-N 2.85Å; G41-V43 PolarHBondContact O-N 3.11Å
42	T	42.3	Very low	47.6	Very low	122 Å²	122	133.8 Å²	133.8	75%	0.748	72%	0.723	S	S	*	*			trans	-53.2	110.3	163.8	45.7	0	0	0	0	107.4	P40 Q44	P40-T42 PolarHBondContact O-N 3.31Å; P40-T42 VanDerWaalsContact O-N 3.16Å; T42-Q44 PolarHBondContact O-N 3.06Å
43	V	42.8	Very low	49.9	Very low	141 Å²	141	129.1 Å²	129.1	86%	0.855	72%	0.721	S	S	*	*			trans	-65.3	87.9	166.3	-176.4	0	0	0	0	105.5	G41 A45	G41-V43 PolarHBondContact O-N 3.11Å; V43-A45 VanDerWaalsContact C-N 3.34Å; V43-A45 PolarHBondContact O-N 2.81Å
44	Q	45.7	Very low	52.1	Low	159 Å²	159	125.4 Å²	125.4	74%	0.743	70%	0.699	S	S	*	*			trans	-64	104.9	165.4	-81.3	-176.1	-10.9	0	0	105.4	T42 Q46	T42-Q44 PolarHBondContact O-N 3.06Å; Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 3.12Å
45	A	48	Very low	54.6	Low	90 Å²	90	123.5 Å²	123.5	74%	0.744	69%	0.69	S	S	*	*			trans	-53.5	101.4	161.8	0	0	0	0	0	106.2	V43 S47	V43-A45 VanDerWaalsContact C-N 3.34Å; V43-A45 PolarHBondContact O-N 2.81Å; A45-S47 PolarHBondContact O-N 2.84Å
46	Q	49.1	Very low	57.2	Low	159 Å²	159	116.4 Å²	116.4	74%	0.743	66%	0.663	S	S	*	*			trans	-67.7	89.8	173.8	-74.4	-175.5	-15.8	0	0	106.1	Q44 N48	Q44-Q46 VanDerWaalsContact C-N 3.27Å; Q44-Q46 PolarHBondContact O-N 3.12Å; Q46-N48 VanDerWaalsContact C-N 3.27Å; Q46-N48 PolarHBondContact O-N 3.3Å
47	S	53	Low	59.7	Low	94 Å²	94	120.1 Å²	120.1	66%	0.657	67%	0.665	S	S	*	*			trans	-59.9	99.3	164.5	55.5	0	0	0	0	106	A45 T49	A45-S47 PolarHBondContact O-N 2.84Å; S47-T49 PolarHBondContact O-N 2.96Å
48	N	55	Low	62.3	Low	158 Å²	158	116.2 Å²	116.2	85%	0.845	64%	0.644	S	S	*	*			trans	-69.7	58.7	175.5	-83.2	-24.9	0	0	0	110	Q46	Q46-N48 VanDerWaalsContact C-N 3.27Å; Q46-N48 PolarHBondContact O-N 3.3Å
49	T	67.9	Low	65	Low	80 Å²	80	113.5 Å²	113.5	49%	0.491	61%	0.613	S	S	.	*			trans	-86.3	138.7	167.5	91.4	0	0	0	0	107.4	S47 F51	S47-T49 PolarHBondContact O-N 2.96Å; T49-F51 PolarHBondContact O-N 3.41Å; T49-F51 PolarHBondContact OG1-N 3.48Å; T49-F51 PolarHBondContact OG1-O 2.96Å
50	H	76.3	Confident	67.3	Low	59 Å²	59	106.6 Å²	106.6	27%	0.273	59%	0.589	S	S	.	*	S	Bend	trans	-78	4.7	173.5	67.2	-88	0	0	0	112.2	S102 Q104 K105 N106	H50-S102 PolarHBondContact NE2-O 2.77Å; H50-S102 VanDerWaalsContact NE2-O 3.09Å; H50-Q104 PolarHBondContact CD2-O 2.76Å; H50-K105 HydrophobicContact CB-CG 4.29Å; H50-K105 WeakPolarHBondContact O-CA 2.98Å; H50-N106 PolarHBondContact O-N 2.74Å
51	F	77.6	Confident	69.9	Low	68 Å²	68	103 Å²	103	30%	0.298	57%	0.568	S	S	.	*	S	Bend	trans	-92.4	143.3	178.4	-56.9	-61.8	0	0	0	110.7	T49 C107 F108	T49-F51 PolarHBondContact O-N 3.41Å; T49-F51 PolarHBondContact OG1-N 3.48Å; T49-F51 PolarHBondContact OG1-O 2.96Å; F51-C107 WeakPolarHBondContact CE1-O 3.37Å; F51-F108 HydrophobicContact CB-CE1 4.32Å; F51-F108 AromaticContact CD1-CD1 3.64Å; F51-F108 HydrophobicContact CD1-CD1 3.64Å; F51-F108 AromaticContact CD1-CE1 3.61Å; F51-F108 HydrophobicContact CD1-CE1 3.61Å; F51-F108 HydrophobicContact CD1-CG 4.37Å; F51-F108 HydrophobicContact CD1-CZ 4.31Å; F51-F108 HydrophobicContact CE1-CB 4.49Å; F51-F108 AromaticContact CE1-CD1 3.59Å; F51-F108 HydrophobicContact CE1-CD1 3.59Å; F51-F108 HydrophobicContact CE1-CE1 4.06Å; F51-F108 HydrophobicContact CE1-CG 4.19Å; F51-F108 HydrophobicContact CG-CD1 4.32Å; F51-F108 AromaticContact CG-CE1 3.95Å; F51-F108 HydrophobicContact CG-CE1 3.95Å; F51-F108 HydrophobicContact CZ-CD1 4.2Å
52	R	74.4	Confident	72.7	Confident	161 Å²	161	101 Å²	101	61%	0.608	54%	0.543	S	S	*	.	P	Polyproline II helix	trans	-77.4	149.5	165.6	-81.7	165	-161.9	-126.9	8.6	109.5	F54 N106	R52-F54 PolarHBondContact O-N 2.96Å; R52-N106 WeakPolarHBondContact CD-OD1 3.26Å; R52-N106 WeakPolarHBondContact CG-OD1 3.4Å; R52-N106 PolarHBondContact NE-ND2 2.77Å; R52-N106 VanDerWaalsContact NE-ND2 3.2Å; R52-N106 PolarHBondContact NE-OD1 2.7Å
53	T	81.2	Confident	75.2	Confident	136 Å²	136	95.8 Å²	95.8	83%	0.834	51%	0.511	S	S	*	.	P	Polyproline II helix	trans	-52.4	138.3	164.9	-43.7	0	0	0	0	109.8	R55	T53-R55 PolarHBondContact O-N 3.44Å
54	F	84.4	Confident	77.6	Confident	75 Å²	75	92 Å²	92	33%	0.329	49%	0.488	S	S	.	.	P	Polyproline II helix	trans	-58	138.2	176.2	-65.9	-79.5	0	0	0	110.5	R52 S56 D59 F60 I63 F108	R52-F54 PolarHBondContact O-N 2.96Å; F54-S56 VanDerWaalsContact C-N 3.32Å; F54-D59 HydrophobicContact CD1-CB 4.32Å; F54-F60 HydrophobicContact CB-CB 4.21Å; F54-F60 HydrophobicContact CD1-CB 4.22Å; F54-F60 HydrophobicContact CD2-CB 4.16Å; F54-F60 AromaticContact CD2-CD2 3.68Å; F54-F60 HydrophobicContact CD2-CD2 3.68Å; F54-F60 HydrophobicContact CD2-CG 4.4Å; F54-F60 AromaticContact CE2-CD2 3.57Å; F54-F60 HydrophobicContact CE2-CD2 3.57Å; F54-F60 HydrophobicContact CE2-CE2 4.26Å; F54-F60 HydrophobicContact CG-CB 3.93Å; F54-F60 HydrophobicContact CG-CD2 4.28Å; F54-F60 HydrophobicContact CZ-CD2 4.07Å; F54-I63 HydrophobicContact CE1-CB 3.86Å; F54-I63 HydrophobicContact CE1-CG1 3.92Å; F54-I63 HydrophobicContact CE1-CG2 4.02Å; F54-I63 HydrophobicContact CZ-CB 4.33Å; F54-I63 HydrophobicContact CZ-CG2 4.06Å; F54-F108 HydrophobicContact CE1-CE1 4.18Å; F54-F108 HydrophobicContact CE1-CE2 4.37Å; F54-F108 AromaticContact CE1-CZ 3.64Å; F54-F108 HydrophobicContact CE1-CZ 3.64Å; F54-F108 AromaticContact CZ-CE1 4Å; F54-F108 HydrophobicContact CZ-CE1 4Å; F54-F108 AromaticContact CZ-CZ 3.91Å; F54-F108 HydrophobicContact CZ-CZ 3.91Å
55	R	81.4	Confident	80	Confident	184 Å²	184	89.2 Å²	89.2	69%	0.694	47%	0.47	S	S	*	.	S	Bend	trans	-78.7	-20.1	-178.4	-59.4	-178.3	-176.4	-173.3	1.6	112.5	T53	T53-R55 PolarHBondContact O-N 3.44Å
56	S	89.8	Confident	82.4	Confident	50 Å²	50	85 Å²	85	35%	0.35	44%	0.435	S	S	.	.	S	Bend	trans	-155.7	160.7	-179.3	68.1	0	0	0	0	111.6	F54 A58 D59 F60	F54-S56 VanDerWaalsContact C-N 3.32Å; S56-A58 PolarHBondContact O-N 3.05Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-D59 WeakPolarHBondContact OG-CB 3.47Å; S56-D59 PolarHBondContact OG-N 3.21Å; S56-D59 VanDerWaalsContact OG-N 3.08Å; S56-D59 PolarHBondContact OG-OD2 3.3Å; S56-D59 VanDerWaalsContact OG-OD2 3.12Å; S56-F60 PolarHBondContact O-N 2.93Å
57	Q	90.8	Very high	84.6	Confident	139 Å²	139	79.4 Å²	79.4	65%	0.65	41%	0.414	S	S	*	.	H	α-helix	trans	-62.1	-32.6	171.9	-173.7	61.7	23.5	0	0	112.2	F60 S61	Q57-F60 PolarHBondContact O-N 3.29Å; Q57-S61 WeakPolarHBondContact O-CB 3.2Å; Q57-S61 PolarHBondContact O-N 2.88Å; Q57-S61 PolarHBondContact O-OG 2.89Å
58	A	92.4	Very high	86.7	Confident	62 Å²	62	79.2 Å²	79.2	51%	0.512	41%	0.409	S	S	.	.	H	α-helix	trans	-66.5	-40.6	177.3	0	0	0	0	0	111.8	S56 S61 S62	S56-A58 PolarHBondContact O-N 3.05Å; A58-S61 PolarHBondContact O-N 3.44Å; A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 3.27Å; A58-S62 PolarHBondContact O-OG 2.65Å
59	D	92.5	Very high	88.7	Confident	15 Å²	15	72.4 Å²	72.4	8%	0.08	37%	0.373	C	S	.	.	H	α-helix	trans	-62.2	-47.4	174.4	-75.3	-27.3	0	0	0	111.4	F54 S56 S61 S62 I63 F126 G129	F54-D59 HydrophobicContact CD1-CB 4.32Å; S56-D59 PolarHBondContact O-N 3.31Å; S56-D59 WeakPolarHBondContact OG-CB 3.47Å; S56-D59 PolarHBondContact OG-N 3.21Å; S56-D59 VanDerWaalsContact OG-N 3.08Å; S56-D59 PolarHBondContact OG-OD2 3.3Å; S56-D59 VanDerWaalsContact OG-OD2 3.12Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 PolarHBondContact O-N 3.17Å; D59-S62 PolarHBondContact O-N 3.21Å; D59-I63 PolarHBondContact O-N 3.26Å; D59-F126 HydrophobicContact CB-CE1 3.75Å; D59-F126 HydrophobicContact CB-CZ 4.21Å; D59-F126 WeakPolarHBondContact OD1-CE1 3.27Å; D59-G129 WeakPolarHBondContact OD1-CA 3.44Å; D59-G129 PolarHBondContact OD1-N 3.32Å
60	F	92.4	Very high	90.1	Very high	89 Å²	89	68.7 Å²	68.7	39%	0.39	35%	0.35	S	S	.	.	H	α-helix	trans	-57.1	-46.9	175.7	173.3	-103.9	0	0	0	111.8	F54 S56 Q57 S62 I63 T64	F54-F60 HydrophobicContact CB-CB 4.21Å; F54-F60 HydrophobicContact CD1-CB 4.22Å; F54-F60 HydrophobicContact CD2-CB 4.16Å; F54-F60 AromaticContact CD2-CD2 3.68Å; F54-F60 HydrophobicContact CD2-CD2 3.68Å; F54-F60 HydrophobicContact CD2-CG 4.4Å; F54-F60 AromaticContact CE2-CD2 3.57Å; F54-F60 HydrophobicContact CE2-CD2 3.57Å; F54-F60 HydrophobicContact CE2-CE2 4.26Å; F54-F60 HydrophobicContact CG-CB 3.93Å; F54-F60 HydrophobicContact CG-CD2 4.28Å; F54-F60 HydrophobicContact CZ-CD2 4.07Å; S56-F60 PolarHBondContact O-N 2.93Å; Q57-F60 PolarHBondContact O-N 3.29Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 3.49Å; F60-I63 PolarHBondContact O-N 2.93Å; F60-T64 WeakPolarHBondContact O-CB 3.31Å; F60-T64 PolarHBondContact O-N 3.47Å; F60-T64 PolarHBondContact O-OG1 3.31Å
61	S	94.3	Very high	91	Very high	57 Å²	57	71.2 Å²	71.2	40%	0.399	37%	0.365	S	S	.	.	H	α-helix	trans	-63.4	-38.3	179.1	-56.1	0	0	0	0	111.8	Q57 A58 D59 R65	Q57-S61 WeakPolarHBondContact O-CB 3.2Å; Q57-S61 PolarHBondContact O-N 2.88Å; Q57-S61 PolarHBondContact O-OG 2.89Å; A58-S61 PolarHBondContact O-N 3.44Å; D59-S61 VanDerWaalsContact C-N 3.33Å; D59-S61 PolarHBondContact O-N 3.17Å; S61-R65 VanDerWaalsContact O-CB 3.29Å; S61-R65 WeakPolarHBondContact O-CB 2.89Å; S61-R65 PolarHBondContact O-N 2.87Å
62	S	94.4	Very high	91.8	Very high	24 Å²	24	70.8 Å²	70.8	17%	0.168	37%	0.374	C	S	.	.	H	α-helix	trans	-67	-43.1	179.2	-60	0	0	0	0	112.2	A58 D59 F60 A66	A58-S62 WeakPolarHBondContact O-CB 3.47Å; A58-S62 PolarHBondContact O-N 3.27Å; A58-S62 PolarHBondContact O-OG 2.65Å; D59-S62 PolarHBondContact O-N 3.21Å; F60-S62 VanDerWaalsContact C-N 3.31Å; F60-S62 PolarHBondContact O-N 3.49Å; S62-A66 WeakPolarHBondContact O-CB 3.45Å; S62-A66 PolarHBondContact O-N 3.44Å
63	I	94.8	Very high	92.7	Very high	12 Å²	12	63.1 Å²	63.1	6%	0.062	35%	0.345	C	S	.	.	H	α-helix	trans	-70.4	-41.1	177	-70.2	-69.6	0	0	0	111.2	F54 D59 F60 R65 A66 S67 F108 F109 F126 F131	F54-I63 HydrophobicContact CE1-CB 3.86Å; F54-I63 HydrophobicContact CE1-CG1 3.92Å; F54-I63 HydrophobicContact CE1-CG2 4.02Å; F54-I63 HydrophobicContact CZ-CB 4.33Å; F54-I63 HydrophobicContact CZ-CG2 4.06Å; D59-I63 PolarHBondContact O-N 3.26Å; F60-I63 PolarHBondContact O-N 2.93Å; I63-R65 PolarHBondContact O-N 3.3Å; I63-A66 WeakPolarHBondContact O-CB 3.48Å; I63-A66 PolarHBondContact O-N 2.89Å; I63-S67 PolarHBondContact O-N 3.43Å; I63-F108 HydrophobicContact CD1-CD2 3.68Å; I63-F108 HydrophobicContact CD1-CE2 4.03Å; I63-F108 HydrophobicContact CD1-CG 4.17Å; I63-F108 HydrophobicContact CG1-CD2 4.32Å; I63-F108 HydrophobicContact CG1-CE2 4.18Å; I63-F108 HydrophobicContact CG2-CD1 4.26Å; I63-F108 HydrophobicContact CG2-CE1 4.33Å; I63-F108 HydrophobicContact CG2-CG 4.44Å; I63-F109 HydrophobicContact CD1-CE2 4.39Å; I63-F126 HydrophobicContact CD1-CB 4.16Å; I63-F126 HydrophobicContact CD1-CD1 3.92Å; I63-F126 HydrophobicContact CD1-CD2 3.93Å; I63-F126 HydrophobicContact CD1-CE1 4.29Å; I63-F126 HydrophobicContact CD1-CE2 4.3Å; I63-F126 HydrophobicContact CD1-CG 3.72Å; I63-F126 HydrophobicContact CD1-CZ 4.46Å; I63-F126 HydrophobicContact CG1-CD1 3.91Å; I63-F126 HydrophobicContact CG1-CD2 4.44Å; I63-F126 HydrophobicContact CG1-CE1 3.85Å; I63-F126 HydrophobicContact CG1-CE2 4.39Å; I63-F126 HydrophobicContact CG1-CG 4.21Å; I63-F126 HydrophobicContact CG1-CZ 4.09Å; I63-F131 HydrophobicContact CD1-CE1 3.66Å; I63-F131 HydrophobicContact CD1-CZ 3.86Å
64	T	94.9	Very high	93.5	Very high	60 Å²	60	58 Å²	58	37%	0.368	32%	0.319	S	S	.	.	H	α-helix	trans	-59.6	-47.2	175.2	-57.8	0	0	0	0	110.8	F60 A66 S67 T68	F60-T64 WeakPolarHBondContact O-CB 3.31Å; F60-T64 PolarHBondContact O-N 3.47Å; F60-T64 PolarHBondContact O-OG1 3.31Å; T64-A66 VanDerWaalsContact C-N 3.32Å; T64-A66 PolarHBondContact O-N 2.99Å; T64-S67 WeakPolarHBondContact O-CB 3.29Å; T64-S67 PolarHBondContact O-N 3.44Å; T64-S67 VanDerWaalsContact O-N 3.15Å; T64-T68 PolarHBondContact O-N 2.91Å; T64-T68 PolarHBondContact O-OG1 3.46Å
65	R	95.8	Very high	94.1	Very high	101 Å²	101	54.4 Å²	54.4	38%	0.381	30%	0.303	S	S	.	.	H	α-helix	trans	-60.5	-41.1	175.5	-173.3	179.9	66.1	77.4	-1.9	112.2	S61 I63 S67 T68 L69 D141 C142	S61-R65 VanDerWaalsContact O-CB 3.29Å; S61-R65 WeakPolarHBondContact O-CB 2.89Å; S61-R65 PolarHBondContact O-N 2.87Å; I63-R65 PolarHBondContact O-N 3.3Å; R65-S67 VanDerWaalsContact C-N 3.34Å; R65-T68 PolarHBondContact O-N 3.3Å; R65-L69 HydrophobicContact CG-CD1 4.45Å; R65-L69 WeakPolarHBondContact O-CG 2.91Å; R65-L69 PolarHBondContact O-N 3.33Å; R65-L69 VanDerWaalsContact O-N 3.16Å; R65-D141 PolarHBondContact NH2-O 3.26Å; R65-C142 PolarHBondContact NH1-SG 3.24Å
66	A	96.8	Very high	94.9	Very high	1 Å²	1	46.7 Å²	46.7	1%	0.008	28%	0.275	C	S	.	.	H	α-helix	trans	-62.5	-42.3	175.5	0	0	0	0	0	111.5	S62 I63 T64 L69 L70 F109 F131 L143	S62-A66 WeakPolarHBondContact O-CB 3.45Å; S62-A66 PolarHBondContact O-N 3.44Å; I63-A66 WeakPolarHBondContact O-CB 3.48Å; I63-A66 PolarHBondContact O-N 2.89Å; T64-A66 VanDerWaalsContact C-N 3.32Å; T64-A66 PolarHBondContact O-N 2.99Å; A66-L69 PolarHBondContact O-N 3.12Å; A66-L70 WeakPolarHBondContact O-CB 3.49Å; A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 3.04Å; A66-F109 HydrophobicContact CB-CE2 4.43Å; A66-F131 HydrophobicContact CB-CE1 4.25Å; A66-F131 HydrophobicContact CB-CZ 3.73Å; A66-L143 HydrophobicContact CB-CB 4.18Å; A66-L143 HydrophobicContact CB-CD2 4.26Å
67	S	96.3	Very high	95.3	Very high	42 Å²	42	46.8 Å²	46.8	29%	0.294	27%	0.267	S	S	.	.	H	α-helix	trans	-59.4	-49.6	175.7	-164.4	0	0	0	0	111.8	I63 T64 R65 L69 L70 D71	I63-S67 PolarHBondContact O-N 3.43Å; T64-S67 WeakPolarHBondContact O-CB 3.29Å; T64-S67 PolarHBondContact O-N 3.44Å; T64-S67 VanDerWaalsContact O-N 3.15Å; R65-S67 VanDerWaalsContact C-N 3.34Å; S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 3.35Å; S67-L70 WeakPolarHBondContact O-CB 3.36Å; S67-L70 PolarHBondContact O-N 3.38Å; S67-D71 PolarHBondContact O-N 2.89Å
68	T	96.2	Very high	95.6	Very high	91 Å²	91	40.4 Å²	40.4	56%	0.558	24%	0.239	S	C	*	.	H	α-helix	trans	-57.8	-41.1	178.4	-54.9	0	0	0	0	112.2	T64 R65 D71 A72	T64-T68 PolarHBondContact O-N 2.91Å; T64-T68 PolarHBondContact O-OG1 3.46Å; R65-T68 PolarHBondContact O-N 3.3Å; T68-D71 PolarHBondContact O-N 3.23Å; T68-A72 PolarHBondContact O-N 3.32Å
69	L	97.3	Very high	95.7	Very high	15 Å²	15	42.7 Å²	42.7	8%	0.079	25%	0.249	C	C	.	.	H	α-helix	trans	-70	-36.4	176.9	-69.1	171.5	0	0	0	112.1	R65 A66 S67 D71 A72 C73 F144 S202 F203 F205	R65-L69 HydrophobicContact CG-CD1 4.45Å; R65-L69 WeakPolarHBondContact O-CG 2.91Å; R65-L69 PolarHBondContact O-N 3.33Å; R65-L69 VanDerWaalsContact O-N 3.16Å; A66-L69 PolarHBondContact O-N 3.12Å; S67-L69 VanDerWaalsContact C-N 3.28Å; S67-L69 PolarHBondContact O-N 3.35Å; L69-D71 VanDerWaalsContact C-N 3.34Å; L69-A72 PolarHBondContact O-N 3.23Å; L69-C73 PolarHBondContact O-N 2.86Å; L69-C73 VanDerWaalsContact O-N 3.12Å; L69-F144 VanDerWaalsContact C-CZ 3.49Å; L69-F144 HydrophobicContact CB-CD2 3.66Å; L69-F144 HydrophobicContact CB-CE2 3.18Å; L69-F144 HydrophobicContact CB-CZ 3.84Å; L69-F144 HydrophobicContact CD1-CD2 3.86Å; L69-F144 HydrophobicContact CD1-CE2 4.27Å; L69-F144 HydrophobicContact CG-CD2 4.4Å; L69-F144 HydrophobicContact CG-CE2 4.34Å; L69-F144 WeakPolarHBondContact O-CZ 3.49Å; L69-S202 WeakPolarHBondContact CD2-O 3.38Å; L69-F203 HydrophobicContact CB-CE2 4.45Å; L69-F203 HydrophobicContact CD2-CD2 3.83Å; L69-F203 HydrophobicContact CD2-CE2 4.46Å; L69-F203 WeakPolarHBondContact O-CE2 3.35Å; L69-F205 HydrophobicContact CD1-CE2 3.78Å; L69-F205 HydrophobicContact CD1-CZ 4.07Å; L69-F205 HydrophobicContact CD2-CE2 3.98Å; L69-F205 HydrophobicContact CG-CE2 4.47Å
70	L	97.6	Very high	95.9	Very high	1 Å²	1	43 Å²	43	1%	0.005	25%	0.25	C	S	.	.	H	α-helix	trans	-62.3	-41.3	174.5	-77.5	170.5	0	0	0	111.8	A66 S67 A72 C73 Y76 I99 F109 L143 F144	A66-L70 WeakPolarHBondContact O-CB 3.49Å; A66-L70 VanDerWaalsContact O-CG 3.31Å; A66-L70 WeakPolarHBondContact O-CG 3.43Å; A66-L70 PolarHBondContact O-N 3.04Å; S67-L70 WeakPolarHBondContact O-CB 3.36Å; S67-L70 PolarHBondContact O-N 3.38Å; L70-A72 PolarHBondContact O-N 3.45Å; L70-C73 PolarHBondContact O-N 2.91Å; L70-C73 PolarHBondContact O-SG 2.87Å; L70-Y76 HydrophobicContact CB-CD1 3.76Å; L70-Y76 HydrophobicContact CB-CD2 4.18Å; L70-Y76 HydrophobicContact CB-CE1 4.2Å; L70-Y76 HydrophobicContact CB-CG 3.72Å; L70-Y76 HydrophobicContact CD1-CD2 4.21Å; L70-Y76 HydrophobicContact CD1-CE2 4.15Å; L70-Y76 HydrophobicContact CD2-CD2 4.07Å; L70-Y76 HydrophobicContact CD2-CG 4.16Å; L70-Y76 HydrophobicContact CG-CD2 4.39Å; L70-Y76 HydrophobicContact CG-CG 4.37Å; L70-Y76 WeakPolarHBondContact O-CB 3.42Å; L70-I99 HydrophobicContact CD1-CG2 4.49Å; L70-I99 HydrophobicContact CD2-CB 4.03Å; L70-I99 HydrophobicContact CD2-CG1 4.22Å; L70-I99 HydrophobicContact CD2-CG2 3.7Å; L70-F109 HydrophobicContact CD1-CD1 3.68Å; L70-F109 HydrophobicContact CD1-CD2 4.21Å; L70-F109 HydrophobicContact CD1-CE1 3.45Å; L70-F109 VanDerWaalsContact CD1-CE1 3.45Å; L70-F109 HydrophobicContact CD1-CE2 4.01Å; L70-F109 HydrophobicContact CD1-CG 4.06Å; L70-F109 HydrophobicContact CD1-CZ 3.62Å; L70-L143 HydrophobicContact CD1-CD2 3.66Å; L70-L143 HydrophobicContact CD2-CD2 3.87Å; L70-L143 HydrophobicContact CG-CD2 3.82Å; L70-F144 HydrophobicContact CD2-CE2 4.24Å; L70-F144 HydrophobicContact CD2-CZ 3.92Å; L70-F144 HydrophobicContact CG-CE2 4.15Å; L70-F144 HydrophobicContact CG-CZ 4.18Å
71	D	95.4	Very high	96.1	Very high	112 Å²	112	42.7 Å²	42.7	60%	0.599	26%	0.256	S	S	*	.	H	α-helix	trans	-62.2	-32.1	176.4	-65	-31.8	0	0	0	112	S67 T68 L69	S67-D71 PolarHBondContact O-N 2.89Å; T68-D71 PolarHBondContact O-N 3.23Å; L69-D71 VanDerWaalsContact C-N 3.34Å
72	A	94	Very high	96.3	Very high	59 Å²	59	42.6 Å²	42.6	49%	0.488	25%	0.252	S	S	.	.	H	α-helix	trans	-83.6	-17.5	179.1	0	0	0	0	0	114.9	T68 L69 L70 F203	T68-A72 PolarHBondContact O-N 3.32Å; L69-A72 PolarHBondContact O-N 3.23Å; L70-A72 PolarHBondContact O-N 3.45Å; A72-F203 HydrophobicContact CB-CD2 4.16Å
73	C	94.6	Very high	96.4	Very high	0 Å²	0	47.3 Å²	47.3	0%	0	28%	0.276	C	S	.	.	S	Bend	trans	-83.5	-13.8	-167.7	79.8	0	0	0	0	115	L69 L70 F75 F144 R163 F203	L69-C73 PolarHBondContact O-N 2.86Å; L69-C73 VanDerWaalsContact O-N 3.12Å; L70-C73 PolarHBondContact O-N 2.91Å; L70-C73 PolarHBondContact O-SG 2.87Å; C73-F75 HydrophobicContact CB-CD1 4.01Å; C73-F75 HydrophobicContact CB-CE1 3.52Å; C73-F75 HydrophobicContact CB-CE2 4.25Å; C73-F75 HydrophobicContact CB-CZ 3.65Å; C73-F75 WeakPolarHBondContact O-CD1 3.49Å; C73-F75 WeakPolarHBondContact O-CE1 3.45Å; C73-F75 PolarHBondContact O-N 2.81Å; C73-F75 VanDerWaalsContact SG-CE2 3.54Å; C73-F75 VanDerWaalsContact SG-CZ 3.58Å; C73-F144 HydrophobicContact CB-CE1 3.57Å; C73-F144 HydrophobicContact CB-CZ 3.78Å; C73-R163 VanDerWaalsContact O-CZ 3.3Å; C73-R163 PolarHBondContact O-NH1 2.81Å; C73-R163 VanDerWaalsContact O-NH1 3.16Å; C73-R163 PolarHBondContact O-NH2 2.86Å; C73-F203 HydrophobicContact CB-CE2 3.59Å; C73-F203 HydrophobicContact CB-CZ 3.6Å
74	G	96.4	Very high	96.6	Very high	28 Å²	28	48.4 Å²	48.4	29%	0.289	29%	0.287	S	S	.	.	S	Bend	trans	74.5	-14	177.3	0	0	0	0	0	116.4	R163 K164	G74-R163 CarbonylContact O-C 3.52Å; G74-R163 VanDerWaalsContact O-CA 3.26Å; G74-R163 WeakPolarHBondContact O-CA 3.37Å; G74-K164 PolarHBondContact O-N 3.3Å
75	F	97.4	Very high	96.8	Very high	0 Å²	0	45.6 Å²	45.6	0%	0	27%	0.269	C	S	.	.			trans	-111.1	10.8	176.1	57.7	-98	0	0	0	113.9	C73 W77 F97 I99 F144 L147 P161 L162 R163 I207	C73-F75 HydrophobicContact CB-CD1 4.01Å; C73-F75 HydrophobicContact CB-CE1 3.52Å; C73-F75 HydrophobicContact CB-CE2 4.25Å; C73-F75 HydrophobicContact CB-CZ 3.65Å; C73-F75 WeakPolarHBondContact O-CD1 3.49Å; C73-F75 WeakPolarHBondContact O-CE1 3.45Å; C73-F75 PolarHBondContact O-N 2.81Å; C73-F75 VanDerWaalsContact SG-CE2 3.54Å; C73-F75 VanDerWaalsContact SG-CZ 3.58Å; F75-W77 VanDerWaalsContact O-CD1 3.3Å; F75-F97 HydrophobicContact CD2-CE2 4.24Å; F75-F97 HydrophobicContact CE2-CE2 4.17Å; F75-I99 HydrophobicContact CD2-CG1 3.94Å; F75-I99 HydrophobicContact CE2-CG1 3.88Å; F75-I99 PolarHBondContact O-N 2.76Å; F75-I99 VanDerWaalsContact O-N 3.11Å; F75-F144 HydrophobicContact CE2-CE1 4.41Å; F75-F144 HydrophobicContact CZ-CD1 4.48Å; F75-F144 AromaticContact CZ-CE1 3.82Å; F75-F144 HydrophobicContact CZ-CE1 3.82Å; F75-L147 HydrophobicContact CE2-CD1 3.98Å; F75-L147 HydrophobicContact CZ-CD1 4.3Å; F75-P161 HydrophobicContact CB-CB 3.63Å; F75-P161 HydrophobicContact CD1-CB 3.37Å; F75-P161 HydrophobicContact CD1-CG 3.89Å; F75-P161 HydrophobicContact CD2-CB 4.02Å; F75-P161 HydrophobicContact CE1-CB 3.99Å; F75-P161 HydrophobicContact CE1-CG 4.27Å; F75-P161 HydrophobicContact CG-CB 3.39Å; F75-P161 HydrophobicContact CG-CG 4.4Å; F75-L162 WeakPolarHBondContact CB-O 3.49Å; F75-R163 HydrophobicContact CB-CG 3.98Å; F75-R163 HydrophobicContact CD1-CG 4.36Å; F75-I207 HydrophobicContact CE1-CD1 4.01Å; F75-I207 HydrophobicContact CE1-CG1 3.91Å; F75-I207 HydrophobicContact CE2-CD1 4.08Å; F75-I207 HydrophobicContact CZ-CD1 3.42Å; F75-I207 VanDerWaalsContact CZ-CD1 3.42Å; F75-I207 HydrophobicContact CZ-CG1 3.85Å; F75-I207 HydrophobicContact CZ-CG2 4.33Å
76	Y	98.4	Very high	96.9	Very high	22 Å²	22	43 Å²	43	9%	0.086	26%	0.262	C	S	.	.	B	Isolated β-bridge	trans	-86	121	165	175.7	-126.7	0	0	0	110.2	L70 I99 D101 F109 K164	L70-Y76 HydrophobicContact CB-CD1 3.76Å; L70-Y76 HydrophobicContact CB-CD2 4.18Å; L70-Y76 HydrophobicContact CB-CE1 4.2Å; L70-Y76 HydrophobicContact CB-CG 3.72Å; L70-Y76 HydrophobicContact CD1-CD2 4.21Å; L70-Y76 HydrophobicContact CD1-CE2 4.15Å; L70-Y76 HydrophobicContact CD2-CD2 4.07Å; L70-Y76 HydrophobicContact CD2-CG 4.16Å; L70-Y76 HydrophobicContact CG-CD2 4.39Å; L70-Y76 HydrophobicContact CG-CG 4.37Å; L70-Y76 WeakPolarHBondContact O-CB 3.42Å; Y76-I99 CarbonylContact C-O 3.57Å; Y76-I99 WeakPolarHBondContact CA-O 3.23Å; Y76-I99 HydrophobicContact CD2-CB 4.2Å; Y76-I99 HydrophobicContact CD2-CG2 4Å; Y76-D101 PolarHBondContact OH-OD1 2.91Å; Y76-F109 HydrophobicContact CE2-CD1 4.25Å; Y76-F109 HydrophobicContact CE2-CE1 4.39Å; Y76-K164 WeakPolarHBondContact O-CE 3.39Å; Y76-K164 PolarHBondContact O-NZ 2.75Å
77	W	98.1	Very high	97	Very high	52 Å²	52	48.6 Å²	48.6	20%	0.197	29%	0.288	C	S	.	.			trans	-97	0.5	-176.9	-71	74.6	0	0	0	114	F75 L80 K88 L98 I99 L162 K164	F75-W77 VanDerWaalsContact O-CD1 3.3Å; W77-L80 HydrophobicContact CB-CB 4.09Å; W77-L80 HydrophobicContact CB-CD2 3.76Å; W77-L80 HydrophobicContact CB-CG 4.5Å; W77-L80 HydrophobicContact CD2-CD2 4.35Å; W77-L80 HydrophobicContact CE3-CD2 4.47Å; W77-L80 HydrophobicContact CG-CD2 4.08Å; W77-K88 HydrophobicContact CD2-CD 4.41Å; W77-K88 HydrophobicContact CE3-CD 4.03Å; W77-K88 HydrophobicContact CH2-CD 3.97Å; W77-K88 HydrophobicContact CZ2-CD 4.33Å; W77-K88 HydrophobicContact CZ3-CD 3.82Å; W77-L98 HydrophobicContact CB-CD1 4.38Å; W77-L98 HydrophobicContact CG-CD1 4.29Å; W77-I99 PolarHBondContact N-O 2.69Å; W77-L162 HydrophobicContact CZ2-CD2 4.43Å; W77-L162 HydrophobicContact CZ2-CG 4.19Å; W77-L162 PolarHBondContact NE1-O 2.82Å; W77-K164 HydrophobicContact CD2-CG 4.07Å; W77-K164 HydrophobicContact CE3-CG 4.2Å; W77-K164 HydrophobicContact CH2-CG 4.23Å; W77-K164 HydrophobicContact CZ2-CG 4.11Å; W77-K164 HydrophobicContact CZ3-CG 4.26Å
78	G	96.5	Very high	97	Very high	6 Å²	6	50.6 Å²	50.6	6%	0.062	29%	0.291	C	S	.	.	S	Bend	trans	60.9	-138.2	-179.4	0	0	0	0	0	111.8	L80 R100 D101	G78-L80 VanDerWaalsContact C-N 3.26Å; G78-L80 PolarHBondContact O-N 2.98Å; G78-R100 WeakPolarHBondContact O-CA 3.5Å; G78-D101 VanDerWaalsContact C-OD2 3.24Å; G78-D101 PolarHBondContact O-N 3.12Å
79	P	95.6	Very high	97.2	Very high	109 Å²	109	46.3 Å²	46.3	71%	0.708	26%	0.264	S	S	*	.	S	Bend	trans	-74.5	79.4	-177.6	30	-34.7	0	0	0	110.9	D101	P79-D101 VanDerWaalsContact CA-OD2 3.31Å; P79-D101 WeakPolarHBondContact CA-OD2 3.26Å; P79-D101 WeakPolarHBondContact CD-OD2 3.47Å
80	L	96.5	Very high	97.2	Very high	23 Å²	23	51.6 Å²	51.6	12%	0.12	29%	0.287	C	S	.	.			trans	-108.6	132.2	176.1	-170.7	68	0	0	0	109.5	W77 G78 A84 A85 K88 L98 R100	W77-L80 HydrophobicContact CB-CB 4.09Å; W77-L80 HydrophobicContact CB-CD2 3.76Å; W77-L80 HydrophobicContact CB-CG 4.5Å; W77-L80 HydrophobicContact CD2-CD2 4.35Å; W77-L80 HydrophobicContact CE3-CD2 4.47Å; W77-L80 HydrophobicContact CG-CD2 4.08Å; G78-L80 VanDerWaalsContact C-N 3.26Å; G78-L80 PolarHBondContact O-N 2.98Å; L80-A84 HydrophobicContact CD1-CB 3.61Å; L80-A84 HydrophobicContact CG-CB 4.15Å; L80-A85 HydrophobicContact CD2-CB 3.73Å; L80-A85 HydrophobicContact CG-CB 4.26Å; L80-K88 HydrophobicContact CD2-CD 4.21Å; L80-L98 HydrophobicContact CD2-CD1 3.97Å; L80-L98 HydrophobicContact CD2-CD2 4.25Å; L80-R100 HydrophobicContact CB-CB 3.93Å; L80-R100 WeakPolarHBondContact O-CD 3.37Å
81	T	97.1	Very high	97.1	Very high	81 Å²	81	56.4 Å²	56.4	50%	0.497	32%	0.321	S	S	.	.			trans	-70.1	157.1	175.9	67	0	0	0	0	110.9	N83 A84 A85	T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 2.91Å; T81-A84 PolarHBondContact O-N 3.29Å; T81-A84 VanDerWaalsContact OG1-CB 3.29Å; T81-A84 WeakPolarHBondContact OG1-CB 3.39Å; T81-A84 PolarHBondContact OG1-N 2.84Å; T81-A85 WeakPolarHBondContact O-CB 3.39Å; T81-A85 PolarHBondContact O-N 3.35Å
82	V	97.5	Very high	97.2	Very high	55 Å²	55	52.6 Å²	52.6	33%	0.333	30%	0.299	S	S	.	.	H	α-helix	trans	-55.8	-49.1	176.7	179.8	0	0	0	0	110.1	A84 A85 H86	V82-A84 PolarHBondContact O-N 3.23Å; V82-A85 WeakPolarHBondContact O-CB 3.45Å; V82-A85 PolarHBondContact O-N 3.49Å; V82-H86 VanDerWaalsContact CG1-CE1 3.45Å; V82-H86 WeakPolarHBondContact CG1-CE1 3.18Å; V82-H86 WeakPolarHBondContact CG1-NE2 3.29Å; V82-H86 PolarHBondContact O-CD2 3.25Å; V82-H86 VanDerWaalsContact O-CD2 3.3Å; V82-H86 VanDerWaalsContact O-CG 3.3Å; V82-H86 PolarHBondContact O-N 3.18Å
83	N	97.9	Very high	97.3	Very high	124 Å²	124	53.9 Å²	53.9	66%	0.663	30%	0.303	S	S	*	.	H	α-helix	trans	-61.5	-44.9	-178.4	-59.4	40.7	0	0	0	111.7	T81 A85 H86 E87	T81-N83 VanDerWaalsContact C-N 3.31Å; T81-N83 PolarHBondContact O-N 2.91Å; N83-A85 VanDerWaalsContact C-N 3.31Å; N83-A85 PolarHBondContact O-N 2.95Å; N83-H86 PolarHBondContact O-N 3.12Å; N83-E87 PolarHBondContact O-N 3.06Å
84	A	98.1	Very high	97.5	Very high	35 Å²	35	59.9 Å²	59.9	29%	0.289	33%	0.331	S	S	.	.	H	α-helix	trans	-65.8	-35.1	178.1	0	0	0	0	0	112.2	L80 T81 V82 K88	L80-A84 HydrophobicContact CD1-CB 3.61Å; L80-A84 HydrophobicContact CG-CB 4.15Å; T81-A84 PolarHBondContact O-N 3.29Å; T81-A84 VanDerWaalsContact OG1-CB 3.29Å; T81-A84 WeakPolarHBondContact OG1-CB 3.39Å; T81-A84 PolarHBondContact OG1-N 2.84Å; V82-A84 PolarHBondContact O-N 3.23Å; A84-K88 WeakPolarHBondContact O-CG 3.22Å; A84-K88 PolarHBondContact O-N 3.29Å; A84-K88 VanDerWaalsContact O-N 3.16Å
85	A	98.4	Very high	97.5	Very high	0 Å²	0	58.6 Å²	58.6	0%	0	32%	0.318	C	S	.	.	H	α-helix	trans	-66	-42	172.7	0	0	0	0	0	111.9	L80 T81 V82 N83 K88 L89 L98	L80-A85 HydrophobicContact CD2-CB 3.73Å; L80-A85 HydrophobicContact CG-CB 4.26Å; T81-A85 WeakPolarHBondContact O-CB 3.39Å; T81-A85 PolarHBondContact O-N 3.35Å; V82-A85 WeakPolarHBondContact O-CB 3.45Å; V82-A85 PolarHBondContact O-N 3.49Å; N83-A85 VanDerWaalsContact C-N 3.31Å; N83-A85 PolarHBondContact O-N 2.95Å; A85-K88 PolarHBondContact O-N 3.16Å; A85-L89 VanDerWaalsContact O-CG 3.31Å; A85-L89 WeakPolarHBondContact O-CG 3.26Å; A85-L89 PolarHBondContact O-N 3.19Å; A85-L89 VanDerWaalsContact O-N 3.14Å; A85-L98 HydrophobicContact CB-CD1 4.08Å; A85-L98 HydrophobicContact CB-CD2 4.22Å
86	H	98.5	Very high	97.5	Very high	48 Å²	48	58.7 Å²	58.7	22%	0.222	32%	0.318	C	S	.	.	H	α-helix	trans	-64.6	-45.1	178	-70.4	-172.7	0	0	0	111.7	V82 N83 K88 L89 K90 P119 S121	V82-H86 VanDerWaalsContact CG1-CE1 3.45Å; V82-H86 WeakPolarHBondContact CG1-CE1 3.18Å; V82-H86 WeakPolarHBondContact CG1-NE2 3.29Å; V82-H86 PolarHBondContact O-CD2 3.25Å; V82-H86 VanDerWaalsContact O-CD2 3.3Å; V82-H86 VanDerWaalsContact O-CG 3.3Å; V82-H86 PolarHBondContact O-N 3.18Å; N83-H86 PolarHBondContact O-N 3.12Å; H86-K88 VanDerWaalsContact C-N 3.34Å; H86-K88 PolarHBondContact O-N 3.34Å; H86-L89 CarbonylContact O-C 3.53Å; H86-L89 PolarHBondContact O-N 3.48Å; H86-L89 VanDerWaalsContact O-N 3.1Å; H86-K90 PolarHBondContact O-N 3.18Å; H86-P119 HydrophobicContact CB-CB 3.78Å; H86-P119 HydrophobicContact CB-CG 4.28Å; H86-P119 WeakPolarHBondContact O-CG 3.41Å; H86-S121 PolarHBondContact NE2-OG 2.91Å
87	E	98.4	Very high	97.5	Very high	118 Å²	118	57.6 Å²	57.6	55%	0.551	31%	0.314	S	S	*	.	H	α-helix	trans	-60.7	-41.8	176	-73.4	-55.3	128.4	0	0	112	N83 L89 K90	N83-E87 PolarHBondContact O-N 3.06Å; E87-L89 PolarHBondContact O-N 2.99Å; E87-K90 WeakPolarHBondContact O-CB 3.38Å; E87-K90 PolarHBondContact O-N 3.01Å; E87-K90 IonicContact OE1-NZ 3.9Å; E87-K90 IonicContact OE2-NZ 2.81Å
88	K	98.1	Very high	97.6	Very high	84 Å²	84	55.1 Å²	55.1	37%	0.365	31%	0.305	S	S	.	.	H	α-helix	trans	-61.8	-30.9	174.8	-76	178.4	-176.2	-62.2	0	113.7	W77 L80 A84 A85 H86 E92 L162	W77-K88 HydrophobicContact CD2-CD 4.41Å; W77-K88 HydrophobicContact CE3-CD 4.03Å; W77-K88 HydrophobicContact CH2-CD 3.97Å; W77-K88 HydrophobicContact CZ2-CD 4.33Å; W77-K88 HydrophobicContact CZ3-CD 3.82Å; L80-K88 HydrophobicContact CD2-CD 4.21Å; A84-K88 WeakPolarHBondContact O-CG 3.22Å; A84-K88 PolarHBondContact O-N 3.29Å; A84-K88 VanDerWaalsContact O-N 3.16Å; A85-K88 PolarHBondContact O-N 3.16Å; H86-K88 VanDerWaalsContact C-N 3.34Å; H86-K88 PolarHBondContact O-N 3.34Å; K88-E92 WeakPolarHBondContact O-CG 3.19Å; K88-L162 HydrophobicContact CB-CD2 4.06Å
89	L	98.5	Very high	97.6	Very high	0 Å²	0	54.9 Å²	54.9	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-91.8	-13.5	-178.4	-70.6	169.9	0	0	0	113.1	A85 H86 E87 S91 E92 T96 L98 S112 K114 P119 L162	A85-L89 VanDerWaalsContact O-CG 3.31Å; A85-L89 WeakPolarHBondContact O-CG 3.26Å; A85-L89 PolarHBondContact O-N 3.19Å; A85-L89 VanDerWaalsContact O-N 3.14Å; H86-L89 CarbonylContact O-C 3.53Å; H86-L89 PolarHBondContact O-N 3.48Å; H86-L89 VanDerWaalsContact O-N 3.1Å; E87-L89 PolarHBondContact O-N 2.99Å; L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.93Å; L89-E92 HydrophobicContact CD2-CG 4.47Å; L89-E92 PolarHBondContact O-N 3.47Å; L89-T96 HydrophobicContact CD2-CG2 3.93Å; L89-T96 WeakPolarHBondContact CD2-O 3.4Å; L89-L98 HydrophobicContact CD1-CD2 4.21Å; L89-L98 HydrophobicContact CD1-CG 4.4Å; L89-L98 HydrophobicContact CD2-CD2 4.4Å; L89-L98 HydrophobicContact CG-CD2 4.11Å; L89-S112 VanDerWaalsContact CD1-C 3.44Å; L89-S112 WeakPolarHBondContact CD1-O 3.2Å; L89-K114 HydrophobicContact CB-CB 4.44Å; L89-K114 WeakPolarHBondContact O-CD 3.41Å; L89-P119 HydrophobicContact CB-CB 4.08Å; L89-P119 HydrophobicContact CB-CG 4.04Å; L89-L162 HydrophobicContact CD2-CB 4.47Å; L89-L162 HydrophobicContact CD2-CD2 4Å
90	K	97.3	Very high	97.8	Very high	126 Å²	126	50 Å²	50	55%	0.548	27%	0.269	S	S	.	.	H	α-helix	trans	-55.7	-43.1	-171.8	-172.4	176.7	-176.7	174.5	0	112.4	H86 E87 K114	H86-K90 PolarHBondContact O-N 3.18Å; E87-K90 WeakPolarHBondContact O-CB 3.38Å; E87-K90 PolarHBondContact O-N 3.01Å; E87-K90 IonicContact OE1-NZ 3.9Å; E87-K90 IonicContact OE2-NZ 2.81Å; K90-K114 PolarHBondContact O-NZ 3.4Å
91	S	95.6	Very high	97.8	Very high	103 Å²	103	50.4 Å²	50.4	72%	0.72	27%	0.272	S	S	*	.	T	Hydrogen-bonded Turn	trans	-94.8	2.9	179.8	57.5	0	0	0	0	114.5	L89	L89-S91 VanDerWaalsContact C-N 3.27Å; L89-S91 PolarHBondContact O-N 2.93Å
92	E	97.9	Very high	97.6	Very high	32 Å²	32	46.7 Å²	46.7	15%	0.15	25%	0.249	C	C	.	.	S	Bend	trans	-86.5	158.3	178.9	-63.1	-64.2	126.7	0	0	111.3	K88 L89 T96 L162 R166	K88-E92 WeakPolarHBondContact O-CG 3.19Å; L89-E92 HydrophobicContact CD2-CG 4.47Å; L89-E92 PolarHBondContact O-N 3.47Å; E92-T96 HydrophobicContact CB-CG2 3.73Å; E92-T96 HydrophobicContact CG-CG2 3.98Å; E92-L162 HydrophobicContact CG-CD1 4.43Å; E92-L162 HydrophobicContact CG-CD2 4.41Å; E92-R166 IonicContact OE1-CZ 3.95Å; E92-R166 IonicContact OE1-NH1 3.96Å; E92-R166 IonicContact OE1-NH2 3.18Å; E92-R166 PolarHBondContact OE1-NH2 3.23Å; E92-R166 IonicContact OE2-CZ 2.77Å; E92-R166 IonicContact OE2-NH1 2.82Å; E92-R166 PolarHBondContact OE2-NH1 2.78Å; E92-R166 IonicContact OE2-NH2 2.72Å; E92-R166 PolarHBondContact OE2-NH2 3.39Å
93	P	97.3	Very high	97	Very high	86 Å²	86	49.2 Å²	49.2	56%	0.558	26%	0.258	S	S	*	.	P	Polyproline II helix	trans	-60.5	154.6	173.4	-23.1	33.7	0	0	0	113	T96	P93-T96 WeakPolarHBondContact CD-OG1 3.41Å; P93-T96 WeakPolarHBondContact O-CB 3.4Å; P93-T96 PolarHBondContact O-N 3.15Å; P93-T96 VanDerWaalsContact O-N 3.09Å; P93-T96 PolarHBondContact O-OG1 3.16Å
94	E	97.2	Very high	96.3	Very high	125 Å²	125	48.7 Å²	48.7	58%	0.584	25%	0.252	S	S	*	.	T	Hydrogen-bonded Turn	trans	-54.9	140.7	171.6	-177.5	168.6	-170	0	0	111.8	T96 A116	E94-T96 PolarHBondContact O-N 2.77Å; E94-A116 PolarHBondContact OE1-N 3.42Å; E94-A116 VanDerWaalsContact OE1-N 3.11Å
95	G	96.9	Very high	95.5	Very high	2 Å²	2	54.9 Å²	54.9	2%	0.021	27%	0.272	C	S	.	.	T	Hydrogen-bonded Turn	trans	80.5	-3.7	-175.2	0	0	0	0	0	114	F97 K114 V159 T160	G95-F97 PolarHBondContact O-N 3.26Å; G95-K114 PolarHBondContact N-O 2.94Å; G95-V159 PolarHBondContact O-N 2.89Å; G95-T160 PolarHBondContact O-N 3.13Å
96	T	98.2	Very high	94.7	Very high	1 Å²	1	58 Å²	58	1%	0.006	29%	0.289	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-68.4	131	171.9	-55	0	0	0	0	110	L89 E92 P93 E94 V113 K114 T160 L162	L89-T96 HydrophobicContact CD2-CG2 3.93Å; L89-T96 WeakPolarHBondContact CD2-O 3.4Å; E92-T96 HydrophobicContact CB-CG2 3.73Å; E92-T96 HydrophobicContact CG-CG2 3.98Å; P93-T96 WeakPolarHBondContact CD-OG1 3.41Å; P93-T96 WeakPolarHBondContact O-CB 3.4Å; P93-T96 PolarHBondContact O-N 3.15Å; P93-T96 VanDerWaalsContact O-N 3.09Å; P93-T96 PolarHBondContact O-OG1 3.16Å; E94-T96 PolarHBondContact O-N 2.77Å; T96-V113 CarbonylContact O-C 3.58Å; T96-V113 WeakPolarHBondContact O-CA 3.37Å; T96-K114 PolarHBondContact O-N 3.44Å; T96-T160 CarbonylContact C-O 3.59Å; T96-T160 VanDerWaalsContact CA-O 3.26Å; T96-T160 WeakPolarHBondContact CA-O 3.37Å; T96-T160 HydrophobicContact CG2-CG2 4.09Å; T96-T160 VanDerWaalsContact OG1-CG2 3.31Å; T96-T160 WeakPolarHBondContact OG1-CG2 3.33Å; T96-L162 HydrophobicContact CG2-CB 3.84Å
97	F	98.5	Very high	94.2	Very high	0 Å²	0	56 Å²	56	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.1	161.3	-175.5	71.1	-83.9	0	0	0	113.4	F75 G95 I99 I111 S112 V113 I151 L158 T160 P161 L162 I207	F75-F97 HydrophobicContact CD2-CE2 4.24Å; F75-F97 HydrophobicContact CE2-CE2 4.17Å; G95-F97 PolarHBondContact O-N 3.26Å; F97-I99 HydrophobicContact CD2-CD1 4.49Å; F97-I111 HydrophobicContact CB-CG2 4.09Å; F97-I111 HydrophobicContact CD2-CG2 4.21Å; F97-S112 CarbonylContact C-O 3.58Å; F97-S112 WeakPolarHBondContact CA-O 3.29Å; F97-S112 WeakPolarHBondContact CB-O 3.42Å; F97-V113 HydrophobicContact CB-CB 3.85Å; F97-V113 HydrophobicContact CB-CG2 3.95Å; F97-I151 HydrophobicContact CE1-CD1 4.04Å; F97-I151 HydrophobicContact CE1-CG1 4.21Å; F97-I151 HydrophobicContact CZ-CD1 3.8Å; F97-I151 HydrophobicContact CZ-CG1 4.37Å; F97-L158 HydrophobicContact CB-CD2 3.86Å; F97-L158 HydrophobicContact CD1-CB 3.83Å; F97-L158 HydrophobicContact CD1-CD2 4.07Å; F97-L158 HydrophobicContact CD1-CG 4.4Å; F97-L158 HydrophobicContact CD2-CD2 4.44Å; F97-L158 HydrophobicContact CE1-CB 3.94Å; F97-L158 HydrophobicContact CG-CB 4.43Å; F97-L158 HydrophobicContact CG-CD2 3.86Å; F97-T160 VanDerWaalsContact CD1-O 3.27Å; F97-T160 WeakPolarHBondContact CD1-O 3.14Å; F97-T160 VanDerWaalsContact CE1-C 3.45Å; F97-T160 PolarHBondContact N-O 2.98Å; F97-P161 HydrophobicContact CE1-CB 4.18Å; F97-P161 HydrophobicContact CE2-CB 4.14Å; F97-P161 HydrophobicContact CZ-CB 3.74Å; F97-P161 HydrophobicContact CZ-CG 4.42Å; F97-P161 CarbonylContact O-C 3.58Å; F97-P161 WeakPolarHBondContact O-CA 3.36Å; F97-L162 PolarHBondContact O-N 3.16Å; F97-I207 HydrophobicContact CE2-CD1 4.32Å; F97-I207 HydrophobicContact CZ-CD1 3.85Å; F97-I207 HydrophobicContact CZ-CG1 4.47Å
98	L	98.6	Very high	93.9	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	26%	0.26	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-139.7	155.2	171.9	67.6	86.6	0	0	0	110.8	W77 L80 A85 L89 R100 I111 S112 L162	W77-L98 HydrophobicContact CB-CD1 4.38Å; W77-L98 HydrophobicContact CG-CD1 4.29Å; L80-L98 HydrophobicContact CD2-CD1 3.97Å; L80-L98 HydrophobicContact CD2-CD2 4.25Å; A85-L98 HydrophobicContact CB-CD1 4.08Å; A85-L98 HydrophobicContact CB-CD2 4.22Å; L89-L98 HydrophobicContact CD1-CD2 4.21Å; L89-L98 HydrophobicContact CD1-CG 4.4Å; L89-L98 HydrophobicContact CD2-CD2 4.4Å; L89-L98 HydrophobicContact CG-CD2 4.11Å; L98-R100 HydrophobicContact CD1-CB 4.04Å; L98-R100 HydrophobicContact CD1-CG 4.16Å; L98-I111 WeakPolarHBondContact O-CA 3.4Å; L98-S112 PolarHBondContact N-O 2.76Å; L98-S112 PolarHBondContact O-N 3.43Å; L98-L162 HydrophobicContact CB-CB 4.34Å; L98-L162 HydrophobicContact CD2-CD2 4.02Å
99	I	98.4	Very high	93.9	Very high	0 Å²	0	48.4 Å²	48.4	0%	0	25%	0.245	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-101.6	141.2	171.9	-49.6	-62.5	0	0	0	109	L70 F75 Y76 W77 F97 F109 I111 I124 L147	L70-I99 HydrophobicContact CD1-CG2 4.49Å; L70-I99 HydrophobicContact CD2-CB 4.03Å; L70-I99 HydrophobicContact CD2-CG1 4.22Å; L70-I99 HydrophobicContact CD2-CG2 3.7Å; F75-I99 HydrophobicContact CD2-CG1 3.94Å; F75-I99 HydrophobicContact CE2-CG1 3.88Å; F75-I99 PolarHBondContact O-N 2.76Å; F75-I99 VanDerWaalsContact O-N 3.11Å; Y76-I99 CarbonylContact C-O 3.57Å; Y76-I99 WeakPolarHBondContact CA-O 3.23Å; Y76-I99 HydrophobicContact CD2-CB 4.2Å; Y76-I99 HydrophobicContact CD2-CG2 4Å; W77-I99 PolarHBondContact N-O 2.69Å; F97-I99 HydrophobicContact CD2-CD1 4.49Å; I99-F109 HydrophobicContact CG2-CB 4.35Å; I99-I111 HydrophobicContact CD1-CB 4.24Å; I99-I111 HydrophobicContact CD1-CD1 4.06Å; I99-I111 HydrophobicContact CD1-CG1 3.62Å; I99-I111 HydrophobicContact CD1-CG2 4.22Å; I99-I124 HydrophobicContact CD1-CD1 4.48Å; I99-L147 HydrophobicContact CD1-CD1 4.17Å; I99-L147 HydrophobicContact CD1-CD2 3.82Å; I99-L147 HydrophobicContact CG1-CD1 4.28Å
100	R	98.1	Very high	93.8	Very high	8 Å²	8	48.4 Å²	48.4	3%	0.03	25%	0.246	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-146.2	167.9	177	58.6	178.3	-176.2	73.3	2.8	110.5	G78 L80 L98 F109 A110 S112 S121	G78-R100 WeakPolarHBondContact O-CA 3.5Å; L80-R100 HydrophobicContact CB-CB 3.93Å; L80-R100 WeakPolarHBondContact O-CD 3.37Å; L98-R100 HydrophobicContact CD1-CB 4.04Å; L98-R100 HydrophobicContact CD1-CG 4.16Å; R100-F109 CarbonylContact O-C 3.52Å; R100-F109 WeakPolarHBondContact O-CA 2.95Å; R100-A110 HydrophobicContact CG-CB 4.36Å; R100-A110 PolarHBondContact N-O 3.06Å; R100-A110 PolarHBondContact O-N 2.73Å; R100-S112 PolarHBondContact NE-OG 2.88Å; R100-S121 PolarHBondContact NH2-OG 2.94Å
101	D	96.4	Very high	93.8	Very high	31 Å²	31	42.4 Å²	42.4	17%	0.166	22%	0.22	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-62	143.3	167.8	-65.8	-26.4	0	0	0	110.4	Y76 G78 P79 M103	Y76-D101 PolarHBondContact OH-OD1 2.91Å; G78-D101 VanDerWaalsContact C-OD2 3.24Å; G78-D101 PolarHBondContact O-N 3.12Å; P79-D101 VanDerWaalsContact CA-OD2 3.31Å; P79-D101 WeakPolarHBondContact CA-OD2 3.26Å; P79-D101 WeakPolarHBondContact CD-OD2 3.47Å; D101-M103 HydrophobicContact CB-CE 3.72Å
102	S	93.7	Very high	94	Very high	3 Å²	3	37.5 Å²	37.5	2%	0.021	19%	0.185	C	C	.	.			trans	-90.3	133.8	169.1	-177.7	0	0	0	0	109	H50 Q104 C107 F108	H50-S102 PolarHBondContact NE2-O 2.77Å; H50-S102 VanDerWaalsContact NE2-O 3.09Å; S102-Q104 PolarHBondContact OG-N 2.95Å; S102-C107 VanDerWaalsContact CB-O 3.31Å; S102-C107 WeakPolarHBondContact CB-O 3.02Å; S102-C107 PolarHBondContact OG-SG 2.82Å; S102-F108 PolarHBondContact N-O 2.72Å
103	M	85.4	Confident	94	Very high	108 Å²	108	36 Å²	36	53%	0.532	18%	0.178	S	C	.	.			trans	-89.4	5.2	174.8	-57.7	-67.9	93.6	0	0	111.9	D101	D101-M103 HydrophobicContact CB-CE 3.72Å
104	Q	83.4	Confident	94	Very high	112 Å²	112	34 Å²	34	52%	0.523	16%	0.16	S	C	.	.	S	Bend	trans	-93.2	141.5	-176.2	-71.2	-71.8	-10.3	0	0	110.6	H50 S102 N106 C107	H50-Q104 PolarHBondContact CD2-O 2.76Å; S102-Q104 PolarHBondContact OG-N 2.95Å; Q104-N106 PolarHBondContact O-N 2.83Å; Q104-C107 PolarHBondContact O-N 2.79Å
105	K	81.4	Confident	94	Very high	165 Å²	165	29.7 Å²	29.7	72%	0.717	14%	0.143	S	C	*	.	T	Hydrogen-bonded Turn	trans	-53.6	133.3	179.9	-65.6	-175.8	-178.5	-178.7	0	111.3	H50 C107	H50-K105 HydrophobicContact CB-CG 4.29Å; H50-K105 WeakPolarHBondContact O-CA 2.98Å; K105-C107 VanDerWaalsContact C-N 3.29Å; K105-C107 PolarHBondContact O-N 3.06Å
106	N	80.9	Confident	93.9	Very high	67 Å²	67	33.5 Å²	33.5	36%	0.358	17%	0.174	S	C	.	.	T	Hydrogen-bonded Turn	trans	64.9	20.9	175.9	-41.2	-51.8	0	0	0	116.1	H50 R52 Q104	H50-N106 PolarHBondContact O-N 2.74Å; R52-N106 WeakPolarHBondContact CD-OD1 3.26Å; R52-N106 WeakPolarHBondContact CG-OD1 3.4Å; R52-N106 PolarHBondContact NE-ND2 2.77Å; R52-N106 VanDerWaalsContact NE-ND2 3.2Å; R52-N106 PolarHBondContact NE-OD1 2.7Å; Q104-N106 PolarHBondContact O-N 2.83Å
107	C	87.6	Confident	93.8	Very high	4 Å²	4	40.3 Å²	40.3	3%	0.027	22%	0.216	C	C	.	.			trans	-128.9	122.7	175.9	-178.9	0	0	0	0	107.9	F51 S102 Q104 K105 F109 I124	F51-C107 WeakPolarHBondContact CE1-O 3.37Å; S102-C107 VanDerWaalsContact CB-O 3.31Å; S102-C107 WeakPolarHBondContact CB-O 3.02Å; S102-C107 PolarHBondContact OG-SG 2.82Å; Q104-C107 PolarHBondContact O-N 2.79Å; K105-C107 VanDerWaalsContact C-N 3.29Å; K105-C107 PolarHBondContact O-N 3.06Å; C107-F109 PolarHBondContact SG-O 2.91Å; C107-I124 PolarHBondContact SG-O 3.16Å
108	F	92.8	Very high	93.7	Very high	32 Å²	32	40.9 Å²	40.9	14%	0.14	22%	0.222	C	C	.	.			trans	-79.5	-44.1	-177	-64.1	-82.9	0	0	0	111.7	F51 F54 I63 S102	F51-F108 HydrophobicContact CB-CE1 4.32Å; F51-F108 AromaticContact CD1-CD1 3.64Å; F51-F108 HydrophobicContact CD1-CD1 3.64Å; F51-F108 AromaticContact CD1-CE1 3.61Å; F51-F108 HydrophobicContact CD1-CE1 3.61Å; F51-F108 HydrophobicContact CD1-CG 4.37Å; F51-F108 HydrophobicContact CD1-CZ 4.31Å; F51-F108 HydrophobicContact CE1-CB 4.49Å; F51-F108 AromaticContact CE1-CD1 3.59Å; F51-F108 HydrophobicContact CE1-CD1 3.59Å; F51-F108 HydrophobicContact CE1-CE1 4.06Å; F51-F108 HydrophobicContact CE1-CG 4.19Å; F51-F108 HydrophobicContact CG-CD1 4.32Å; F51-F108 AromaticContact CG-CE1 3.95Å; F51-F108 HydrophobicContact CG-CE1 3.95Å; F51-F108 HydrophobicContact CZ-CD1 4.2Å; F54-F108 HydrophobicContact CE1-CE1 4.18Å; F54-F108 HydrophobicContact CE1-CE2 4.37Å; F54-F108 AromaticContact CE1-CZ 3.64Å; F54-F108 HydrophobicContact CE1-CZ 3.64Å; F54-F108 AromaticContact CZ-CE1 4Å; F54-F108 HydrophobicContact CZ-CE1 4Å; F54-F108 AromaticContact CZ-CZ 3.91Å; F54-F108 HydrophobicContact CZ-CZ 3.91Å; I63-F108 HydrophobicContact CD1-CD2 3.68Å; I63-F108 HydrophobicContact CD1-CE2 4.03Å; I63-F108 HydrophobicContact CD1-CG 4.17Å; I63-F108 HydrophobicContact CG1-CD2 4.32Å; I63-F108 HydrophobicContact CG1-CE2 4.18Å; I63-F108 HydrophobicContact CG2-CD1 4.26Å; I63-F108 HydrophobicContact CG2-CE1 4.33Å; I63-F108 HydrophobicContact CG2-CG 4.44Å; S102-F108 PolarHBondContact N-O 2.72Å
109	F	96.9	Very high	93.7	Very high	11 Å²	11	42.5 Å²	42.5	5%	0.048	23%	0.233	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-131.5	154.7	-169	-50.4	-64.1	0	0	0	111.7	I63 A66 L70 Y76 I99 R100 C107 I124 L143	I63-F109 HydrophobicContact CD1-CE2 4.39Å; A66-F109 HydrophobicContact CB-CE2 4.43Å; L70-F109 HydrophobicContact CD1-CD1 3.68Å; L70-F109 HydrophobicContact CD1-CD2 4.21Å; L70-F109 HydrophobicContact CD1-CE1 3.45Å; L70-F109 VanDerWaalsContact CD1-CE1 3.45Å; L70-F109 HydrophobicContact CD1-CE2 4.01Å; L70-F109 HydrophobicContact CD1-CG 4.06Å; L70-F109 HydrophobicContact CD1-CZ 3.62Å; Y76-F109 HydrophobicContact CE2-CD1 4.25Å; Y76-F109 HydrophobicContact CE2-CE1 4.39Å; I99-F109 HydrophobicContact CG2-CB 4.35Å; R100-F109 CarbonylContact O-C 3.52Å; R100-F109 WeakPolarHBondContact O-CA 2.95Å; C107-F109 PolarHBondContact SG-O 2.91Å; F109-I124 HydrophobicContact CB-CB 4.37Å; F109-I124 HydrophobicContact CB-CD1 4Å; F109-I124 HydrophobicContact CB-CG1 4.43Å; F109-I124 WeakPolarHBondContact O-CB 3.41Å; F109-I124 PolarHBondContact O-N 3.11Å; F109-L143 HydrophobicContact CD2-CD2 4.24Å
110	A	97.6	Very high	93.6	Very high	1 Å²	1	45.2 Å²	45.2	1%	0.008	25%	0.249	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-135.7	147.1	172.2	0	0	0	0	0	110.6	R100 I122	R100-A110 HydrophobicContact CG-CB 4.36Å; R100-A110 PolarHBondContact N-O 3.06Å; R100-A110 PolarHBondContact O-N 2.73Å; A110-I122 CarbonylContact C-O 3.49Å; A110-I122 WeakPolarHBondContact CA-O 3.44Å
111	I	97.9	Very high	93.6	Very high	0 Å²	0	46.7 Å²	46.7	0%	0	26%	0.261	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-94.6	129.9	169.1	-48.4	-167.1	0	0	0	107.4	F97 L98 I99 S121 I122 I124 L133 L146 L147 L158	F97-I111 HydrophobicContact CB-CG2 4.09Å; F97-I111 HydrophobicContact CD2-CG2 4.21Å; L98-I111 WeakPolarHBondContact O-CA 3.4Å; I99-I111 HydrophobicContact CD1-CB 4.24Å; I99-I111 HydrophobicContact CD1-CD1 4.06Å; I99-I111 HydrophobicContact CD1-CG1 3.62Å; I99-I111 HydrophobicContact CD1-CG2 4.22Å; I111-S121 CarbonylContact O-C 3.48Å; I111-S121 VanDerWaalsContact O-CA 3.23Å; I111-S121 WeakPolarHBondContact O-CA 3.31Å; I111-I122 PolarHBondContact N-O 2.97Å; I111-I122 PolarHBondContact O-N 2.87Å; I111-I124 HydrophobicContact CD1-CD1 4.08Å; I111-I124 HydrophobicContact CD1-CG1 4.43Å; I111-I124 HydrophobicContact CG1-CD1 3.58Å; I111-I124 HydrophobicContact CG1-CG1 3.85Å; I111-L133 HydrophobicContact CD1-CD2 3.67Å; I111-L133 HydrophobicContact CG1-CD2 4.25Å; I111-L146 HydrophobicContact CD1-CD2 4.4Å; I111-L147 HydrophobicContact CD1-CD2 3.51Å; I111-L147 HydrophobicContact CG1-CD2 4.48Å; I111-L158 HydrophobicContact CD1-CD1 4.16Å; I111-L158 HydrophobicContact CG2-CD2 4.02Å
112	S	98.4	Very high	93.6	Very high	0 Å²	0	47.2 Å²	47.2	0%	0	26%	0.263	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-109	132	163.3	-52.1	0	0	0	0	108.5	L89 F97 L98 R100 T120 S121	L89-S112 VanDerWaalsContact CD1-C 3.44Å; L89-S112 WeakPolarHBondContact CD1-O 3.2Å; F97-S112 CarbonylContact C-O 3.58Å; F97-S112 WeakPolarHBondContact CA-O 3.29Å; F97-S112 WeakPolarHBondContact CB-O 3.42Å; L98-S112 PolarHBondContact N-O 2.76Å; L98-S112 PolarHBondContact O-N 3.43Å; R100-S112 PolarHBondContact NE-OG 2.88Å; S112-T120 CarbonylContact C-O 3.58Å; S112-T120 VanDerWaalsContact CA-O 3.24Å; S112-T120 WeakPolarHBondContact CA-O 3.48Å; S112-S121 PolarHBondContact OG-OG 3.4Å
113	V	98.3	Very high	93.7	Very high	0 Å²	0	51.9 Å²	51.9	0%	0	28%	0.28	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-138.9	141.2	-173.4	59.3	0	0	0	0	110.6	T96 F97 T115 P119 T120 I122 V157 L158	T96-V113 CarbonylContact O-C 3.58Å; T96-V113 WeakPolarHBondContact O-CA 3.37Å; F97-V113 HydrophobicContact CB-CB 3.85Å; F97-V113 HydrophobicContact CB-CG2 3.95Å; V113-T115 HydrophobicContact CG1-CG2 4.36Å; V113-P119 CarbonylContact O-C 3.57Å; V113-P119 WeakPolarHBondContact O-CA 3.48Å; V113-T120 HydrophobicContact CG1-CG2 3.72Å; V113-T120 PolarHBondContact N-O 3.02Å; V113-T120 PolarHBondContact O-N 3.43Å; V113-I122 HydrophobicContact CG1-CD1 4.38Å; V113-V157 WeakPolarHBondContact CG2-O 3.19Å; V113-L158 HydrophobicContact CB-CD2 4.16Å; V113-L158 HydrophobicContact CG2-CD2 3.98Å
114	K	98.2	Very high	94.2	Very high	43 Å²	43	47 Å²	47	19%	0.187	26%	0.256	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-78.6	118.2	170.1	176.8	68.3	174.5	-161.7	0	109.6	L89 K90 G95 T96 P119	L89-K114 HydrophobicContact CB-CB 4.44Å; L89-K114 WeakPolarHBondContact O-CD 3.41Å; K90-K114 PolarHBondContact O-NZ 3.4Å; G95-K114 PolarHBondContact N-O 2.94Å; T96-K114 PolarHBondContact O-N 3.44Å; K114-P119 HydrophobicContact CD-CG 4.27Å
115	T	96.6	Very high	94.8	Very high	36 Å²	36	44 Å²	44	22%	0.221	24%	0.244	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-105.5	174.2	169.1	71.7	0	0	0	0	110.3	V113 T117 G118 T120	V113-T115 HydrophobicContact CG1-CG2 4.36Å; T115-T117 PolarHBondContact O-N 3.45Å; T115-T117 PolarHBondContact OG1-N 3.19Å; T115-T117 PolarHBondContact OG1-OG1 3.39Å; T115-T117 VanDerWaalsContact OG1-OG1 3.11Å; T115-G118 PolarHBondContact N-O 3.3Å; T115-G118 PolarHBondContact O-N 3.22Å; T115-G118 PolarHBondContact OG1-N 3.39Å; T115-G118 PolarHBondContact OG1-O 2.81Å; T115-T120 HydrophobicContact CG2-CG2 3.72Å
116	A	94.6	Very high	95.4	Very high	82 Å²	82	38 Å²	38	68%	0.678	22%	0.218	S	C	*	.	T	Hydrogen-bonded Turn	trans	-52	-34.1	170.9	0	0	0	0	0	113.9	E94	E94-A116 PolarHBondContact OE1-N 3.42Å; E94-A116 VanDerWaalsContact OE1-N 3.11Å
117	T	95.4	Very high	95.9	Very high	143 Å²	143	40.7 Å²	40.7	88%	0.877	23%	0.228	S	C	*	.	T	Hydrogen-bonded Turn	trans	-88.5	-6.2	179.8	57	0	0	0	0	113.7	T115	T115-T117 PolarHBondContact O-N 3.45Å; T115-T117 PolarHBondContact OG1-N 3.19Å; T115-T117 PolarHBondContact OG1-OG1 3.39Å; T115-T117 VanDerWaalsContact OG1-OG1 3.11Å
118	G	96.8	Very high	96	Very high	13 Å²	13	45.7 Å²	45.7	13%	0.134	26%	0.259	C	S	.	.	E	Extended strand (participates in β ladder)	trans	127.6	-178.2	179.4	0	0	0	0	0	113.4	T115 T120	T115-G118 PolarHBondContact N-O 3.3Å; T115-G118 PolarHBondContact O-N 3.22Å; T115-G118 PolarHBondContact OG1-N 3.39Å; T115-G118 PolarHBondContact OG1-O 2.81Å; G118-T120 PolarHBondContact O-N 2.73Å
119	P	98.1	Very high	95.9	Very high	33 Å²	33	45.1 Å²	45.1	21%	0.214	26%	0.262	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-64.2	133.7	175.2	-21.2	34.2	0	0	0	111.9	H86 L89 V113 K114	H86-P119 HydrophobicContact CB-CB 3.78Å; H86-P119 HydrophobicContact CB-CG 4.28Å; H86-P119 WeakPolarHBondContact O-CG 3.41Å; L89-P119 HydrophobicContact CB-CB 4.08Å; L89-P119 HydrophobicContact CB-CG 4.04Å; V113-P119 CarbonylContact O-C 3.57Å; V113-P119 WeakPolarHBondContact O-CA 3.48Å; K114-P119 HydrophobicContact CD-CG 4.27Å
120	T	97.4	Very high	95.9	Very high	58 Å²	58	49.4 Å²	49.4	36%	0.356	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130	164.7	173.3	-169.8	0	0	0	0	110.7	S112 V113 T115 G118	S112-T120 CarbonylContact C-O 3.58Å; S112-T120 VanDerWaalsContact CA-O 3.24Å; S112-T120 WeakPolarHBondContact CA-O 3.48Å; V113-T120 HydrophobicContact CG1-CG2 3.72Å; V113-T120 PolarHBondContact N-O 3.02Å; V113-T120 PolarHBondContact O-N 3.43Å; T115-T120 HydrophobicContact CG2-CG2 3.72Å; G118-T120 PolarHBondContact O-N 2.73Å
121	S	97.3	Very high	95.8	Very high	38 Å²	38	49.5 Å²	49.5	27%	0.266	28%	0.278	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-127.2	132.7	175.9	-68.1	0	0	0	0	112	H86 R100 I111 S112	H86-S121 PolarHBondContact NE2-OG 2.91Å; R100-S121 PolarHBondContact NH2-OG 2.94Å; I111-S121 CarbonylContact O-C 3.48Å; I111-S121 VanDerWaalsContact O-CA 3.23Å; I111-S121 WeakPolarHBondContact O-CA 3.31Å; S112-S121 PolarHBondContact OG-OG 3.4Å
122	I	96.2	Very high	95.8	Very high	43 Å²	43	50.5 Å²	50.5	22%	0.221	29%	0.285	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-118.9	132	179.5	-55.7	163.2	0	0	0	108	A110 I111 V113 L133 D134	A110-I122 CarbonylContact C-O 3.49Å; A110-I122 WeakPolarHBondContact CA-O 3.44Å; I111-I122 PolarHBondContact N-O 2.97Å; I111-I122 PolarHBondContact O-N 2.87Å; V113-I122 HydrophobicContact CG1-CD1 4.38Å; I122-L133 HydrophobicContact CG2-CB 4.04Å; I122-L133 HydrophobicContact CG2-CD1 4.42Å; I122-L133 HydrophobicContact CG2-CD2 4.11Å; I122-L133 HydrophobicContact CG2-CG 4.42Å; I122-D134 HydrophobicContact CG2-CB 4.37Å
123	R	96.3	Very high	95.6	Very high	101 Å²	101	51.1 Å²	51.1	38%	0.381	29%	0.288	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-77.6	147.6	178.3	-67.2	179.8	-68.8	-172	-1	110.9	D134	R123-D134 HydrophobicContact CB-CB 4.04Å; R123-D134 IonicContact CZ-OD2 3.21Å; R123-D134 IonicContact NE-OD2 2.92Å; R123-D134 PolarHBondContact NE-OD2 3.31Å; R123-D134 IonicContact NH2-OD1 3.89Å; R123-D134 IonicContact NH2-OD2 2.68Å; R123-D134 PolarHBondContact NH2-OD2 3.44Å; R123-D134 PolarHBondContact O-N 2.8Å
124	I	96.9	Very high	95.4	Very high	4 Å²	4	54.4 Å²	54.4	2%	0.021	31%	0.306	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-103.9	109.5	171	-48.4	-176.7	0	0	0	107.5	I99 C107 F109 I111 F131 S132 L133 L143 L146	I99-I124 HydrophobicContact CD1-CD1 4.48Å; C107-I124 PolarHBondContact SG-O 3.16Å; F109-I124 HydrophobicContact CB-CB 4.37Å; F109-I124 HydrophobicContact CB-CD1 4Å; F109-I124 HydrophobicContact CB-CG1 4.43Å; F109-I124 WeakPolarHBondContact O-CB 3.41Å; F109-I124 PolarHBondContact O-N 3.11Å; I111-I124 HydrophobicContact CD1-CD1 4.08Å; I111-I124 HydrophobicContact CD1-CG1 4.43Å; I111-I124 HydrophobicContact CG1-CD1 3.58Å; I111-I124 HydrophobicContact CG1-CG1 3.85Å; I124-F131 HydrophobicContact CG2-CB 4.33Å; I124-F131 HydrophobicContact CG2-CD1 4.08Å; I124-S132 CarbonylContact C-O 3.54Å; I124-S132 WeakPolarHBondContact CA-O 3.27Å; I124-L133 HydrophobicContact CG1-CD2 4.13Å; I124-L143 HydrophobicContact CD1-CD1 3.57Å; I124-L143 HydrophobicContact CG2-CD1 3.86Å; I124-L146 HydrophobicContact CG2-CD1 4.43Å
125	N	95.2	Very high	95	Very high	49 Å²	49	56.3 Å²	56.3	26%	0.262	34%	0.337	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.5	145.1	176.8	-66	-32.2	0	0	0	109.4	F131 S132 D134	N125-F131 CarbonylContact O-C 3.47Å; N125-F131 VanDerWaalsContact O-CA 3.28Å; N125-F131 WeakPolarHBondContact O-CA 3.26Å; N125-S132 PolarHBondContact N-O 2.94Å; N125-S132 PolarHBondContact O-N 3.08Å; N125-D134 PolarHBondContact ND2-OD1 3.29Å
126	F	93.7	Very high	94.8	Very high	39 Å²	39	56.2 Å²	56.2	17%	0.171	34%	0.339	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.1	116.8	172.5	-178.3	-101.2	0	0	0	109.8	D59 I63 G129 R130 F131	D59-F126 HydrophobicContact CB-CE1 3.75Å; D59-F126 HydrophobicContact CB-CZ 4.21Å; D59-F126 WeakPolarHBondContact OD1-CE1 3.27Å; I63-F126 HydrophobicContact CD1-CB 4.16Å; I63-F126 HydrophobicContact CD1-CD1 3.92Å; I63-F126 HydrophobicContact CD1-CD2 3.93Å; I63-F126 HydrophobicContact CD1-CE1 4.29Å; I63-F126 HydrophobicContact CD1-CE2 4.3Å; I63-F126 HydrophobicContact CD1-CG 3.72Å; I63-F126 HydrophobicContact CD1-CZ 4.46Å; I63-F126 HydrophobicContact CG1-CD1 3.91Å; I63-F126 HydrophobicContact CG1-CD2 4.44Å; I63-F126 HydrophobicContact CG1-CE1 3.85Å; I63-F126 HydrophobicContact CG1-CE2 4.39Å; I63-F126 HydrophobicContact CG1-CG 4.21Å; I63-F126 HydrophobicContact CG1-CZ 4.09Å; F126-G129 VanDerWaalsContact CE2-C 3.45Å; F126-R130 VanDerWaalsContact CA-O 3.3Å; F126-R130 WeakPolarHBondContact CA-O 3.46Å; F126-R130 WeakPolarHBondContact CD2-O 3.42Å; F126-F131 HydrophobicContact CB-CD1 4.44Å; F126-F131 HydrophobicContact CB-CE1 4.48Å; F126-F131 AromaticContact CD2-CD1 3.78Å; F126-F131 HydrophobicContact CD2-CD1 3.78Å; F126-F131 HydrophobicContact CD2-CD2 4.09Å; F126-F131 AromaticContact CD2-CE1 3.58Å; F126-F131 HydrophobicContact CD2-CE1 3.58Å; F126-F131 AromaticContact CD2-CE2 3.9Å; F126-F131 HydrophobicContact CD2-CE2 3.9Å; F126-F131 HydrophobicContact CD2-CG 4.03Å; F126-F131 AromaticContact CD2-CZ 3.64Å; F126-F131 HydrophobicContact CD2-CZ 3.64Å; F126-F131 HydrophobicContact CE2-CD2 4.25Å; F126-F131 HydrophobicContact CE2-CE1 4.2Å; F126-F131 AromaticContact CE2-CE2 3.79Å; F126-F131 HydrophobicContact CE2-CE2 3.79Å; F126-F131 AromaticContact CE2-CZ 3.76Å; F126-F131 HydrophobicContact CE2-CZ 3.76Å; F126-F131 HydrophobicContact CG-CE1 4.32Å
127	Q	91.3	Very high	94.7	Very high	125 Å²	125	62.5 Å²	62.5	58%	0.584	35%	0.35	S	S	*	.	E	Extended strand (participates in β ladder)	trans	-144	132	-178.1	-171.2	167.7	15.1	0	0	109.6	G129 R130	Q127-G129 PolarHBondContact O-N 3.06Å; Q127-R130 PolarHBondContact N-O 3.37Å; Q127-R130 PolarHBondContact O-N 3.49Å
128	T	90	Very high	94.6	Very high	109 Å²	109	59.7 Å²	59.7	67%	0.669	33%	0.327	S	S	*	.	T	Hydrogen-bonded Turn	trans	49.6	51.8	175.3	53.1	0	0	0	0	112.7	R130	T128-R130 VanDerWaalsContact C-N 3.27Å; T128-R130 PolarHBondContact O-N 3.24Å
129	G	91.4	Very high	94.6	Very high	19 Å²	19	61.5 Å²	61.5	20%	0.196	34%	0.338	C	S	.	.	T	Hydrogen-bonded Turn	trans	73.3	5.1	-179.6	0	0	0	0	0	116.4	D59 F126 Q127	D59-G129 WeakPolarHBondContact OD1-CA 3.44Å; D59-G129 PolarHBondContact OD1-N 3.32Å; F126-G129 VanDerWaalsContact CE2-C 3.45Å; Q127-G129 PolarHBondContact O-N 3.06Å
130	R	96	Very high	94.5	Very high	102 Å²	102	61.3 Å²	61.3	39%	0.385	33%	0.334	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-126.2	145.4	-174.2	-54.9	-170.1	72.9	83.8	-1.4	113.4	F126 Q127 T128 S139 F140	F126-R130 VanDerWaalsContact CA-O 3.3Å; F126-R130 WeakPolarHBondContact CA-O 3.46Å; F126-R130 WeakPolarHBondContact CD2-O 3.42Å; Q127-R130 PolarHBondContact N-O 3.37Å; Q127-R130 PolarHBondContact O-N 3.49Å; T128-R130 VanDerWaalsContact C-N 3.27Å; T128-R130 PolarHBondContact O-N 3.24Å; R130-S139 PolarHBondContact NE-OG 3.42Å; R130-S139 PolarHBondContact NH2-O 3.31Å; R130-F140 CarbonylContact C-O 3.44Å; R130-F140 VanDerWaalsContact CA-O 3.23Å; R130-F140 WeakPolarHBondContact CA-O 3.35Å
131	F	97.1	Very high	94.5	Very high	2 Å²	2	61.8 Å²	61.8	1%	0.009	33%	0.334	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-98.5	136.8	176.3	-61.5	-88.5	0	0	0	111	I63 A66 I124 N125 F126 S139 F140 L143 L146	I63-F131 HydrophobicContact CD1-CE1 3.66Å; I63-F131 HydrophobicContact CD1-CZ 3.86Å; A66-F131 HydrophobicContact CB-CE1 4.25Å; A66-F131 HydrophobicContact CB-CZ 3.73Å; I124-F131 HydrophobicContact CG2-CB 4.33Å; I124-F131 HydrophobicContact CG2-CD1 4.08Å; N125-F131 CarbonylContact O-C 3.47Å; N125-F131 VanDerWaalsContact O-CA 3.28Å; N125-F131 WeakPolarHBondContact O-CA 3.26Å; F126-F131 HydrophobicContact CB-CD1 4.44Å; F126-F131 HydrophobicContact CB-CE1 4.48Å; F126-F131 AromaticContact CD2-CD1 3.78Å; F126-F131 HydrophobicContact CD2-CD1 3.78Å; F126-F131 HydrophobicContact CD2-CD2 4.09Å; F126-F131 AromaticContact CD2-CE1 3.58Å; F126-F131 HydrophobicContact CD2-CE1 3.58Å; F126-F131 AromaticContact CD2-CE2 3.9Å; F126-F131 HydrophobicContact CD2-CE2 3.9Å; F126-F131 HydrophobicContact CD2-CG 4.03Å; F126-F131 AromaticContact CD2-CZ 3.64Å; F126-F131 HydrophobicContact CD2-CZ 3.64Å; F126-F131 HydrophobicContact CE2-CD2 4.25Å; F126-F131 HydrophobicContact CE2-CE1 4.2Å; F126-F131 AromaticContact CE2-CE2 3.79Å; F126-F131 HydrophobicContact CE2-CE2 3.79Å; F126-F131 AromaticContact CE2-CZ 3.76Å; F126-F131 HydrophobicContact CE2-CZ 3.76Å; F126-F131 HydrophobicContact CG-CE1 4.32Å; F131-S139 CarbonylContact O-C 3.58Å; F131-S139 WeakPolarHBondContact O-CA 3.44Å; F131-F140 PolarHBondContact N-O 2.8Å; F131-F140 PolarHBondContact O-N 3.17Å; F131-L143 HydrophobicContact CD1-CB 4.26Å; F131-L143 HydrophobicContact CD1-CD1 4.19Å; F131-L143 HydrophobicContact CD2-CB 4.38Å; F131-L143 HydrophobicContact CE1-CB 4.3Å; F131-L143 HydrophobicContact CE2-CB 4.43Å; F131-L143 HydrophobicContact CG-CB 4.3Å; F131-L143 HydrophobicContact CZ-CB 4.39Å; F131-L146 HydrophobicContact CB-CD1 4Å
132	S	96.6	Very high	94.4	Very high	22 Å²	22	60.1 Å²	60.1	15%	0.154	32%	0.323	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-143.1	157.2	172.1	58.6	0	0	0	0	111.1	I124 N125 E138	I124-S132 CarbonylContact C-O 3.54Å; I124-S132 WeakPolarHBondContact CA-O 3.27Å; N125-S132 PolarHBondContact N-O 2.94Å; N125-S132 PolarHBondContact O-N 3.08Å; S132-E138 WeakPolarHBondContact CB-O 3.39Å
133	L	95.6	Very high	94.4	Very high	12 Å²	12	58.1 Å²	58.1	6%	0.063	31%	0.312	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-79.9	147.6	168.7	-66.4	-172.7	0	0	0	110.3	I111 I122 I124 G135 S136 L146 Y150	I111-L133 HydrophobicContact CD1-CD2 3.67Å; I111-L133 HydrophobicContact CG1-CD2 4.25Å; I122-L133 HydrophobicContact CG2-CB 4.04Å; I122-L133 HydrophobicContact CG2-CD1 4.42Å; I122-L133 HydrophobicContact CG2-CD2 4.11Å; I122-L133 HydrophobicContact CG2-CG 4.42Å; I124-L133 HydrophobicContact CG1-CD2 4.13Å; L133-G135 PolarHBondContact O-N 3.49Å; L133-S136 VanDerWaalsContact O-CB 3.3Å; L133-S136 WeakPolarHBondContact O-CB 3.29Å; L133-S136 PolarHBondContact O-N 3.15Å; L133-L146 HydrophobicContact CD2-CD1 4.38Å; L133-L146 HydrophobicContact CD2-CD2 3.88Å; L133-L146 HydrophobicContact CG-CD1 4.37Å; L133-L146 HydrophobicContact CG-CD2 4.08Å; L133-Y150 HydrophobicContact CB-CE2 4.48Å; L133-Y150 HydrophobicContact CD1-CD1 4.16Å; L133-Y150 HydrophobicContact CD1-CD2 3.62Å; L133-Y150 HydrophobicContact CD1-CE1 4Å; L133-Y150 HydrophobicContact CD1-CE2 3.43Å; L133-Y150 VanDerWaalsContact CD1-CE2 3.43Å; L133-Y150 HydrophobicContact CD1-CG 4.01Å; L133-Y150 HydrophobicContact CG-CD2 4.17Å; L133-Y150 HydrophobicContact CG-CE2 3.69Å
134	D	93.2	Very high	94.5	Very high	69 Å²	69	53.3 Å²	53.3	37%	0.369	29%	0.294	S	S	.	.	T	Hydrogen-bonded Turn	trans	-57.7	128.9	174.3	-158	18.8	0	0	0	111.4	I122 R123 N125 S136	I122-D134 HydrophobicContact CG2-CB 4.37Å; R123-D134 HydrophobicContact CB-CB 4.04Å; R123-D134 IonicContact CZ-OD2 3.21Å; R123-D134 IonicContact NE-OD2 2.92Å; R123-D134 PolarHBondContact NE-OD2 3.31Å; R123-D134 IonicContact NH2-OD1 3.89Å; R123-D134 IonicContact NH2-OD2 2.68Å; R123-D134 PolarHBondContact NH2-OD2 3.44Å; R123-D134 PolarHBondContact O-N 2.8Å; N125-D134 PolarHBondContact ND2-OD1 3.29Å; D134-S136 VanDerWaalsContact C-N 3.27Å; D134-S136 PolarHBondContact O-N 2.93Å
135	G	89.9	Confident	94.4	Very high	83 Å²	83	56.4 Å²	56.4	86%	0.856	31%	0.307	S	S	*	.	T	Hydrogen-bonded Turn	trans	77.2	-1.5	-173	0	0	0	0	0	116	L133	L133-G135 PolarHBondContact O-N 3.49Å
136	S	91.9	Very high	94.5	Very high	35 Å²	35	54 Å²	54	25%	0.245	30%	0.295	C	S	.	.			trans	-91.8	147.1	175.1	-175.6	0	0	0	0	112.5	L133 D134 E138 Y150	L133-S136 VanDerWaalsContact O-CB 3.3Å; L133-S136 WeakPolarHBondContact O-CB 3.29Å; L133-S136 PolarHBondContact O-N 3.15Å; D134-S136 VanDerWaalsContact C-N 3.27Å; D134-S136 PolarHBondContact O-N 2.93Å; S136-E138 PolarHBondContact OG-N 2.89Å; S136-E138 VanDerWaalsContact OG-N 3.09Å; S136-Y150 WeakPolarHBondContact CB-OH 3.46Å; S136-Y150 PolarHBondContact OG-OH 3.38Å
137	K	91.8	Very high	94.6	Very high	213 Å²	213	52.2 Å²	52.2	93%	0.926	29%	0.287	S	S	*	.	S	Bend	trans	-89.2	-12.2	170.6	-63.5	-177.2	180	-179.2	0	112.8
138	E	94.3	Very high	94.8	Very high	84 Å²	84	47 Å²	47	39%	0.393	26%	0.263	S	S	.	.			trans	-86	134.9	-177.4	-59.6	-177.4	108	0	0	110.3	S132 S136 F140 H149 Y150	S132-E138 WeakPolarHBondContact CB-O 3.39Å; S136-E138 PolarHBondContact OG-N 2.89Å; S136-E138 VanDerWaalsContact OG-N 3.09Å; E138-F140 HydrophobicContact CB-CE2 3.98Å; E138-F140 HydrophobicContact CB-CZ 4.21Å; E138-H149 IonicContact OE1-CE1 3.75Å; E138-H149 PolarHBondContact OE1-CE1 2.83Å; E138-H149 IonicContact OE1-NE2 3.06Å; E138-H149 PolarHBondContact OE1-NE2 2.82Å; E138-H149 IonicContact OE2-CD2 2.95Å; E138-H149 IonicContact OE2-CE1 3.4Å; E138-H149 IonicContact OE2-NE2 2.7Å; E138-H149 PolarHBondContact OE2-NE2 2.75Å; E138-Y150 PolarHBondContact OE2-OH 3.44Å
139	S	96.3	Very high	95	Very high	51 Å²	51	44.9 Å²	44.9	36%	0.357	25%	0.245	S	C	.	.	E	Extended strand (participates in β ladder)	trans	-136	149.2	179.7	69.2	0	0	0	0	111.8	R130 F131	R130-S139 PolarHBondContact NE-OG 3.42Å; R130-S139 PolarHBondContact NH2-O 3.31Å; F131-S139 CarbonylContact O-C 3.58Å; F131-S139 WeakPolarHBondContact O-CA 3.44Å
140	F	97.2	Very high	95.2	Very high	30 Å²	30	45.3 Å²	45.3	13%	0.132	24%	0.241	C	C	.	.	E	Extended strand (participates in β ladder)	trans	-133	145.2	-170.6	-56.8	-93.6	0	0	0	110.7	R130 F131 E138 C142 K145 L146 H149 Y150	R130-F140 CarbonylContact C-O 3.44Å; R130-F140 VanDerWaalsContact CA-O 3.23Å; R130-F140 WeakPolarHBondContact CA-O 3.35Å; F131-F140 PolarHBondContact N-O 2.8Å; F131-F140 PolarHBondContact O-N 3.17Å; E138-F140 HydrophobicContact CB-CE2 3.98Å; E138-F140 HydrophobicContact CB-CZ 4.21Å; F140-C142 PolarHBondContact O-N 2.93Å; F140-K145 HydrophobicContact CB-CB 4.48Å; F140-K145 HydrophobicContact CD1-CB 4.22Å; F140-L146 HydrophobicContact CB-CB 4.04Å; F140-L146 HydrophobicContact CD2-CB 3.41Å; F140-L146 VanDerWaalsContact CD2-CB 3.41Å; F140-L146 HydrophobicContact CD2-CD1 3.96Å; F140-L146 HydrophobicContact CD2-CG 3.73Å; F140-L146 HydrophobicContact CE2-CB 4.02Å; F140-L146 HydrophobicContact CE2-CD1 4.49Å; F140-L146 HydrophobicContact CE2-CG 4.02Å; F140-L146 HydrophobicContact CG-CB 3.76Å; F140-H149 HydrophobicContact CE1-CB 3.74Å; F140-H149 AromaticContact CE1-CG 3.87Å; F140-H149 HydrophobicContact CZ-CB 3.65Å; F140-H149 AromaticContact CZ-CD2 3.55Å; F140-H149 AromaticContact CZ-CG 3.48Å; F140-H149 VanDerWaalsContact CZ-CG 3.48Å; F140-H149 AromaticContact CZ-ND1 3.99Å; F140-Y150 HydrophobicContact CE2-CE2 4.4Å
141	D	95.7	Very high	95.1	Very high	67 Å²	67	42.5 Å²	42.5	36%	0.358	23%	0.233	S	C	.	.	S	Bend	trans	-72.3	-9.6	173.7	63.7	-16.4	0	0	0	113.1	R65 K145	R65-D141 PolarHBondContact NH2-O 3.26Å; D141-K145 VanDerWaalsContact CG-NZ 3.31Å; D141-K145 VanDerWaalsContact OD1-CD 3.26Å; D141-K145 WeakPolarHBondContact OD1-CD 3.31Å; D141-K145 IonicContact OD1-NZ 2.76Å; D141-K145 PolarHBondContact OD1-NZ 3.46Å; D141-K145 IonicContact OD2-NZ 2.81Å; D141-K145 PolarHBondContact OD2-NZ 2.81Å
142	C	95.4	Very high	94.8	Very high	4 Å²	4	47 Å²	47	3%	0.027	27%	0.265	C	S	.	.	S	Bend	trans	-143.1	131	-176.1	-176.7	0	0	0	0	110.6	R65 F140 F144 K145 L146	R65-C142 PolarHBondContact NH1-SG 3.24Å; F140-C142 PolarHBondContact O-N 2.93Å; C142-F144 VanDerWaalsContact C-N 3.28Å; C142-F144 PolarHBondContact O-N 3.23Å; C142-K145 HydrophobicContact CB-CB 4.12Å; C142-K145 HydrophobicContact CB-CD 4.01Å; C142-K145 HydrophobicContact CB-CG 3.85Å; C142-K145 PolarHBondContact O-N 3Å; C142-K145 VanDerWaalsContact O-N 3.15Å; C142-L146 PolarHBondContact O-N 2.84Å
143	L	97.1	Very high	94.5	Very high	1 Å²	1	47 Å²	47	1%	0.005	26%	0.264	C	S	.	.	H	α-helix	trans	-54.1	-42.9	176.7	179.1	61.1	0	0	0	112.6	A66 L70 F109 I124 F131 K145 L146 L147	A66-L143 HydrophobicContact CB-CB 4.18Å; A66-L143 HydrophobicContact CB-CD2 4.26Å; L70-L143 HydrophobicContact CD1-CD2 3.66Å; L70-L143 HydrophobicContact CD2-CD2 3.87Å; L70-L143 HydrophobicContact CG-CD2 3.82Å; F109-L143 HydrophobicContact CD2-CD2 4.24Å; I124-L143 HydrophobicContact CD1-CD1 3.57Å; I124-L143 HydrophobicContact CG2-CD1 3.86Å; F131-L143 HydrophobicContact CD1-CB 4.26Å; F131-L143 HydrophobicContact CD1-CD1 4.19Å; F131-L143 HydrophobicContact CD2-CB 4.38Å; F131-L143 HydrophobicContact CE1-CB 4.3Å; F131-L143 HydrophobicContact CE2-CB 4.43Å; F131-L143 HydrophobicContact CG-CB 4.3Å; F131-L143 HydrophobicContact CZ-CB 4.39Å; L143-K145 PolarHBondContact O-N 3.34Å; L143-L146 VanDerWaalsContact O-CB 3.29Å; L143-L146 WeakPolarHBondContact O-CB 3.3Å; L143-L146 PolarHBondContact O-N 3.47Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 2.99Å
144	F	97.1	Very high	93.8	Very high	0 Å²	0	52.7 Å²	52.7	0%	0	30%	0.302	C	S	.	.	H	α-helix	trans	-74.6	-26.1	-177.5	-73.6	-95.5	0	0	0	113.3	L69 L70 C73 F75 C142 L147 E148 F203 F205 I207	L69-F144 VanDerWaalsContact C-CZ 3.49Å; L69-F144 HydrophobicContact CB-CD2 3.66Å; L69-F144 HydrophobicContact CB-CE2 3.18Å; L69-F144 HydrophobicContact CB-CZ 3.84Å; L69-F144 HydrophobicContact CD1-CD2 3.86Å; L69-F144 HydrophobicContact CD1-CE2 4.27Å; L69-F144 HydrophobicContact CG-CD2 4.4Å; L69-F144 HydrophobicContact CG-CE2 4.34Å; L69-F144 WeakPolarHBondContact O-CZ 3.49Å; L70-F144 HydrophobicContact CD2-CE2 4.24Å; L70-F144 HydrophobicContact CD2-CZ 3.92Å; L70-F144 HydrophobicContact CG-CE2 4.15Å; L70-F144 HydrophobicContact CG-CZ 4.18Å; C73-F144 HydrophobicContact CB-CE1 3.57Å; C73-F144 HydrophobicContact CB-CZ 3.78Å; F75-F144 HydrophobicContact CE2-CE1 4.41Å; F75-F144 HydrophobicContact CZ-CD1 4.48Å; F75-F144 AromaticContact CZ-CE1 3.82Å; F75-F144 HydrophobicContact CZ-CE1 3.82Å; C142-F144 VanDerWaalsContact C-N 3.28Å; C142-F144 PolarHBondContact O-N 3.23Å; F144-L147 HydrophobicContact CD1-CD1 4.19Å; F144-L147 HydrophobicContact CE1-CD1 4.35Å; F144-L147 PolarHBondContact O-N 2.84Å; F144-E148 WeakPolarHBondContact O-CG 3.4Å; F144-E148 PolarHBondContact O-N 3.33Å; F144-F203 HydrophobicContact CD1-CE1 4.44Å; F144-F203 AromaticContact CD1-CE2 3.97Å; F144-F203 HydrophobicContact CD1-CE2 3.97Å; F144-F203 AromaticContact CD1-CZ 3.59Å; F144-F203 HydrophobicContact CD1-CZ 3.59Å; F144-F203 AromaticContact CE1-CE2 3.52Å; F144-F203 HydrophobicContact CE1-CE2 3.52Å; F144-F203 AromaticContact CE1-CZ 3.35Å; F144-F203 HydrophobicContact CE1-CZ 3.35Å; F144-F203 AromaticContact CZ-CE2 3.86Å; F144-F203 HydrophobicContact CZ-CE2 3.86Å; F144-F203 HydrophobicContact CZ-CZ 4.17Å; F144-F205 HydrophobicContact CB-CD1 3.45Å; F144-F205 VanDerWaalsContact CB-CD1 3.45Å; F144-F205 HydrophobicContact CB-CD2 3.78Å; F144-F205 HydrophobicContact CB-CE1 3.38Å; F144-F205 HydrophobicContact CB-CE2 3.7Å; F144-F205 HydrophobicContact CB-CG 3.68Å; F144-F205 HydrophobicContact CB-CZ 3.53Å; F144-F205 HydrophobicContact CD1-CD2 4.24Å; F144-F205 HydrophobicContact CD1-CG 4.44Å; F144-F205 HydrophobicContact CD2-CE2 4.42Å; F144-F205 HydrophobicContact CG-CD2 4.02Å; F144-F205 HydrophobicContact CG-CE1 4.5Å; F144-F205 HydrophobicContact CG-CE2 4Å; F144-F205 HydrophobicContact CG-CG 4.31Å; F144-F205 HydrophobicContact CG-CZ 4.27Å; F144-I207 HydrophobicContact CD1-CG2 4.02Å
145	K	96.1	Very high	93.3	Very high	68 Å²	68	60 Å²	60	30%	0.296	33%	0.325	S	S	.	.	H	α-helix	trans	-67.2	-39.5	169.5	-69.6	-175.5	-167.4	168.2	0	111.1	F140 D141 C142 L143 L147 E148 H149 F205	F140-K145 HydrophobicContact CB-CB 4.48Å; F140-K145 HydrophobicContact CD1-CB 4.22Å; D141-K145 VanDerWaalsContact CG-NZ 3.31Å; D141-K145 VanDerWaalsContact OD1-CD 3.26Å; D141-K145 WeakPolarHBondContact OD1-CD 3.31Å; D141-K145 IonicContact OD1-NZ 2.76Å; D141-K145 PolarHBondContact OD1-NZ 3.46Å; D141-K145 IonicContact OD2-NZ 2.81Å; D141-K145 PolarHBondContact OD2-NZ 2.81Å; C142-K145 HydrophobicContact CB-CB 4.12Å; C142-K145 HydrophobicContact CB-CD 4.01Å; C142-K145 HydrophobicContact CB-CG 3.85Å; C142-K145 PolarHBondContact O-N 3Å; C142-K145 VanDerWaalsContact O-N 3.15Å; L143-K145 PolarHBondContact O-N 3.34Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 2.74Å; K145-E148 PolarHBondContact O-N 2.9Å; K145-H149 WeakPolarHBondContact O-CB 3.41Å; K145-H149 PolarHBondContact O-N 3.12Å; K145-F205 HydrophobicContact CG-CE1 4.31Å
146	L	96.8	Very high	92.8	Very high	0 Å²	0	63.1 Å²	63.1	0%	0	32%	0.315	C	S	.	.	H	α-helix	trans	-56.6	-48.5	170.7	176.8	160.7	0	0	0	110.2	I111 I124 F131 L133 F140 C142 L143 H149 Y150	I111-L146 HydrophobicContact CD1-CD2 4.4Å; I124-L146 HydrophobicContact CG2-CD1 4.43Å; F131-L146 HydrophobicContact CB-CD1 4Å; L133-L146 HydrophobicContact CD2-CD1 4.38Å; L133-L146 HydrophobicContact CD2-CD2 3.88Å; L133-L146 HydrophobicContact CG-CD1 4.37Å; L133-L146 HydrophobicContact CG-CD2 4.08Å; F140-L146 HydrophobicContact CB-CB 4.04Å; F140-L146 HydrophobicContact CD2-CB 3.41Å; F140-L146 VanDerWaalsContact CD2-CB 3.41Å; F140-L146 HydrophobicContact CD2-CD1 3.96Å; F140-L146 HydrophobicContact CD2-CG 3.73Å; F140-L146 HydrophobicContact CE2-CB 4.02Å; F140-L146 HydrophobicContact CE2-CD1 4.49Å; F140-L146 HydrophobicContact CE2-CG 4.02Å; F140-L146 HydrophobicContact CG-CB 3.76Å; C142-L146 PolarHBondContact O-N 2.84Å; L143-L146 VanDerWaalsContact O-CB 3.29Å; L143-L146 WeakPolarHBondContact O-CB 3.3Å; L143-L146 PolarHBondContact O-N 3.47Å; L146-H149 WeakPolarHBondContact O-CB 3.44Å; L146-H149 PolarHBondContact O-N 3.4Å; L146-Y150 HydrophobicContact CD2-CD2 3.85Å; L146-Y150 HydrophobicContact CD2-CE2 4.16Å; L146-Y150 HydrophobicContact CG-CD2 4.08Å; L146-Y150 HydrophobicContact CG-CE2 4.02Å; L146-Y150 VanDerWaalsContact O-CD2 3.26Å; L146-Y150 WeakPolarHBondContact O-CD2 3.39Å; L146-Y150 PolarHBondContact O-N 3.28Å; L146-Y150 VanDerWaalsContact O-N 3.16Å
147	L	96.6	Very high	92.6	Very high	0 Å²	0	64.1 Å²	64.1	0%	0	32%	0.319	C	S	.	.	H	α-helix	trans	-62.2	-48.4	-179.8	-62.2	179.5	0	0	0	112.2	F75 I99 I111 L143 F144 K145 H149 Y150 I151 L158 I207	F75-L147 HydrophobicContact CE2-CD1 3.98Å; F75-L147 HydrophobicContact CZ-CD1 4.3Å; I99-L147 HydrophobicContact CD1-CD1 4.17Å; I99-L147 HydrophobicContact CD1-CD2 3.82Å; I99-L147 HydrophobicContact CG1-CD1 4.28Å; I111-L147 HydrophobicContact CD1-CD2 3.51Å; I111-L147 HydrophobicContact CG1-CD2 4.48Å; L143-L147 WeakPolarHBondContact O-CG 3.33Å; L143-L147 PolarHBondContact O-N 2.99Å; F144-L147 HydrophobicContact CD1-CD1 4.19Å; F144-L147 HydrophobicContact CE1-CD1 4.35Å; F144-L147 PolarHBondContact O-N 2.84Å; K145-L147 VanDerWaalsContact C-N 3.32Å; K145-L147 PolarHBondContact O-N 2.74Å; L147-H149 VanDerWaalsContact C-N 3.27Å; L147-H149 PolarHBondContact O-N 2.83Å; L147-Y150 PolarHBondContact O-N 3.49Å; L147-I151 VanDerWaalsContact O-CG1 3.27Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-I151 PolarHBondContact O-N 2.84Å; L147-L158 HydrophobicContact CD2-CD1 4.15Å; L147-I207 HydrophobicContact CB-CD1 3.84Å; L147-I207 HydrophobicContact CD1-CD1 4Å
148	E	94.9	Very high	92.8	Very high	17 Å²	17	54.1 Å²	54.1	8%	0.079	28%	0.276	C	S	.	.	H	α-helix	trans	-58.4	-38.3	177.4	-75.4	179.7	143.5	0	0	112.7	F144 K145 I151 S152 R184 F205 Q206	F144-E148 WeakPolarHBondContact O-CG 3.4Å; F144-E148 PolarHBondContact O-N 3.33Å; K145-E148 PolarHBondContact O-N 2.9Å; E148-I151 PolarHBondContact O-N 2.91Å; E148-S152 VanDerWaalsContact O-CB 3.3Å; E148-S152 WeakPolarHBondContact O-CB 3.44Å; E148-S152 PolarHBondContact O-N 2.99Å; E148-S152 PolarHBondContact O-OG 3.3Å; E148-R184 IonicContact OE1-NH1 3.22Å; E148-R184 IonicContact OE2-CZ 3.98Å; E148-R184 IonicContact OE2-NH1 3.54Å; E148-R184 PolarHBondContact OE2-NH1 2.94Å; E148-R184 IonicContact OE2-NH2 2.87Å; E148-R184 PolarHBondContact OE2-NH2 2.8Å; E148-F205 WeakPolarHBondContact OE1-CA 3.49Å; E148-F205 WeakPolarHBondContact OE1-CB 3.45Å; E148-Q206 PolarHBondContact OE1-N 3.48Å
149	H	94.6	Very high	92.9	Very high	63 Å²	63	53.6 Å²	53.6	29%	0.292	28%	0.278	S	S	.	.	H	α-helix	trans	-61.1	-49.9	175.8	177.6	85.5	0	0	0	111.6	E138 F140 K145 L146 L147 I151 S152 S153	E138-H149 IonicContact OE1-CE1 3.75Å; E138-H149 PolarHBondContact OE1-CE1 2.83Å; E138-H149 IonicContact OE1-NE2 3.06Å; E138-H149 PolarHBondContact OE1-NE2 2.82Å; E138-H149 IonicContact OE2-CD2 2.95Å; E138-H149 IonicContact OE2-CE1 3.4Å; E138-H149 IonicContact OE2-NE2 2.7Å; E138-H149 PolarHBondContact OE2-NE2 2.75Å; F140-H149 HydrophobicContact CE1-CB 3.74Å; F140-H149 AromaticContact CE1-CG 3.87Å; F140-H149 HydrophobicContact CZ-CB 3.65Å; F140-H149 AromaticContact CZ-CD2 3.55Å; F140-H149 AromaticContact CZ-CG 3.48Å; F140-H149 VanDerWaalsContact CZ-CG 3.48Å; F140-H149 AromaticContact CZ-ND1 3.99Å; K145-H149 WeakPolarHBondContact O-CB 3.41Å; K145-H149 PolarHBondContact O-N 3.12Å; L146-H149 WeakPolarHBondContact O-CB 3.44Å; L146-H149 PolarHBondContact O-N 3.4Å; L147-H149 VanDerWaalsContact C-N 3.27Å; L147-H149 PolarHBondContact O-N 2.83Å; H149-I151 VanDerWaalsContact C-N 3.32Å; H149-I151 PolarHBondContact O-N 2.8Å; H149-S152 PolarHBondContact O-N 2.94Å; H149-S153 PolarHBondContact O-N 3.09Å
150	Y	94.8	Very high	92.8	Very high	28 Å²	28	54.3 Å²	54.3	11%	0.11	28%	0.28	C	S	.	.	H	α-helix	trans	-70.8	-26.9	179.5	-76.9	-72.3	0	0	0	113.3	L133 S136 E138 F140 L146 L147 S153	L133-Y150 HydrophobicContact CB-CE2 4.48Å; L133-Y150 HydrophobicContact CD1-CD1 4.16Å; L133-Y150 HydrophobicContact CD1-CD2 3.62Å; L133-Y150 HydrophobicContact CD1-CE1 4Å; L133-Y150 HydrophobicContact CD1-CE2 3.43Å; L133-Y150 VanDerWaalsContact CD1-CE2 3.43Å; L133-Y150 HydrophobicContact CD1-CG 4.01Å; L133-Y150 HydrophobicContact CG-CD2 4.17Å; L133-Y150 HydrophobicContact CG-CE2 3.69Å; S136-Y150 WeakPolarHBondContact CB-OH 3.46Å; S136-Y150 PolarHBondContact OG-OH 3.38Å; E138-Y150 PolarHBondContact OE2-OH 3.44Å; F140-Y150 HydrophobicContact CE2-CE2 4.4Å; L146-Y150 HydrophobicContact CD2-CD2 3.85Å; L146-Y150 HydrophobicContact CD2-CE2 4.16Å; L146-Y150 HydrophobicContact CG-CD2 4.08Å; L146-Y150 HydrophobicContact CG-CE2 4.02Å; L146-Y150 VanDerWaalsContact O-CD2 3.26Å; L146-Y150 WeakPolarHBondContact O-CD2 3.39Å; L146-Y150 PolarHBondContact O-N 3.28Å; L146-Y150 VanDerWaalsContact O-N 3.16Å; L147-Y150 PolarHBondContact O-N 3.49Å; Y150-S153 PolarHBondContact O-OG 2.98Å
151	I	94.2	Very high	92.8	Very high	44 Å²	44	53.7 Å²	53.7	23%	0.226	28%	0.28	C	S	.	.	H	α-helix	trans	-70.7	-41.4	172	-69.5	168.3	0	0	0	111.8	F97 L147 E148 H149 S153 L158 I207	F97-I151 HydrophobicContact CE1-CD1 4.04Å; F97-I151 HydrophobicContact CE1-CG1 4.21Å; F97-I151 HydrophobicContact CZ-CD1 3.8Å; F97-I151 HydrophobicContact CZ-CG1 4.37Å; L147-I151 VanDerWaalsContact O-CG1 3.27Å; L147-I151 WeakPolarHBondContact O-CG1 3.31Å; L147-I151 PolarHBondContact O-N 2.84Å; E148-I151 PolarHBondContact O-N 2.91Å; H149-I151 VanDerWaalsContact C-N 3.32Å; H149-I151 PolarHBondContact O-N 2.8Å; I151-S153 PolarHBondContact O-N 3.16Å; I151-L158 WeakPolarHBondContact CA-O 3.5Å; I151-L158 HydrophobicContact CG1-CB 3.62Å; I151-I207 HydrophobicContact CD1-CB 4.27Å; I151-I207 HydrophobicContact CD1-CD1 3.36Å; I151-I207 HydrophobicContact CD1-CG1 3.61Å
152	S	91.1	Very high	92.9	Very high	97 Å²	97	50.9 Å²	50.9	68%	0.678	26%	0.264	S	S	*	.	H	α-helix	trans	-81.5	-5.9	-179.8	-50.8	0	0	0	0	112.6	E148 H149	E148-S152 VanDerWaalsContact O-CB 3.3Å; E148-S152 WeakPolarHBondContact O-CB 3.44Å; E148-S152 PolarHBondContact O-N 2.99Å; E148-S152 PolarHBondContact O-OG 3.3Å; H149-S152 PolarHBondContact O-N 2.94Å
153	S	89.6	Confident	93	Very high	20 Å²	20	51.6 Å²	51.6	14%	0.14	27%	0.266	C	S	.	.	S	Bend	trans	-66.3	144	-178	76.2	0	0	0	0	111.8	H149 Y150 I151 R155 K156	H149-S153 PolarHBondContact O-N 3.09Å; Y150-S153 PolarHBondContact O-OG 2.98Å; I151-S153 PolarHBondContact O-N 3.16Å; S153-R155 PolarHBondContact O-N 2.77Å; S153-R155 VanDerWaalsContact O-N 3.13Å; S153-K156 PolarHBondContact O-N 3.36Å
154	P	82.3	Confident	93	Very high	132 Å²	132	57.1 Å²	57.1	86%	0.857	29%	0.29	S	S	*	.	T	Hydrogen-bonded Turn	trans	-60.2	-27.3	179.5	-24.1	33	0	0	0	113.8	K156	P154-K156 PolarHBondContact O-N 2.97Å
155	R	81.2	Confident	92.9	Very high	224 Å²	224	62.2 Å²	62.2	85%	0.845	32%	0.321	S	S	*	.	T	Hydrogen-bonded Turn	trans	-73	-12	178.4	-66.7	-176.8	178.3	170.2	-0.4	113	S153 V157	S153-R155 PolarHBondContact O-N 2.77Å; S153-R155 VanDerWaalsContact O-N 3.13Å; R155-V157 HydrophobicContact CB-CG2 3.94Å; R155-V157 PolarHBondContact O-N 3.13Å; R155-V157 VanDerWaalsContact O-N 3.12Å
156	K	80.6	Confident	92.7	Very high	148 Å²	148	66.3 Å²	66.3	64%	0.643	34%	0.335	S	S	*	.			trans	47.5	41.2	178.5	-65	-173	178	-179.6	0	113.2	S153 P154 L158 V159	S153-K156 PolarHBondContact O-N 3.36Å; P154-K156 PolarHBondContact O-N 2.97Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 PolarHBondContact O-N 2.91Å; K156-V159 HydrophobicContact CB-CG2 4.01Å; K156-V159 WeakPolarHBondContact O-CG2 3.46Å
157	V	88.1	Confident	92.6	Very high	56 Å²	56	72.2 Å²	72.2	34%	0.339	37%	0.37	S	S	.	.	S	Bend	trans	-61.4	-40.6	-179.3	-179.7	0	0	0	0	110.3	V113 R155	V113-V157 WeakPolarHBondContact CG2-O 3.19Å; R155-V157 HydrophobicContact CB-CG2 3.94Å; R155-V157 PolarHBondContact O-N 3.13Å; R155-V157 VanDerWaalsContact O-N 3.12Å
158	L	95.2	Very high	92.5	Very high	3 Å²	3	74 Å²	74	2%	0.016	38%	0.379	C	S	.	.			trans	-110.1	135.9	170.5	-54.3	-175.8	0	0	0	107.8	F97 I111 V113 L147 I151 K156	F97-L158 HydrophobicContact CB-CD2 3.86Å; F97-L158 HydrophobicContact CD1-CB 3.83Å; F97-L158 HydrophobicContact CD1-CD2 4.07Å; F97-L158 HydrophobicContact CD1-CG 4.4Å; F97-L158 HydrophobicContact CD2-CD2 4.44Å; F97-L158 HydrophobicContact CE1-CB 3.94Å; F97-L158 HydrophobicContact CG-CB 4.43Å; F97-L158 HydrophobicContact CG-CD2 3.86Å; I111-L158 HydrophobicContact CD1-CD1 4.16Å; I111-L158 HydrophobicContact CG2-CD2 4.02Å; V113-L158 HydrophobicContact CB-CD2 4.16Å; V113-L158 HydrophobicContact CG2-CD2 3.98Å; L147-L158 HydrophobicContact CD2-CD1 4.15Å; I151-L158 WeakPolarHBondContact CA-O 3.5Å; I151-L158 HydrophobicContact CG1-CB 3.62Å; K156-L158 VanDerWaalsContact C-N 3.25Å; K156-L158 PolarHBondContact O-N 2.91Å
159	V	95.4	Very high	92.5	Very high	73 Å²	73	77 Å²	77	44%	0.442	40%	0.4	S	S	.	.			trans	-127.6	-61.8	-179.1	179	0	0	0	0	110.4	G95 K156	G95-V159 PolarHBondContact O-N 2.89Å; K156-V159 HydrophobicContact CB-CG2 4.01Å; K156-V159 WeakPolarHBondContact O-CG2 3.46Å
160	T	95.5	Very high	92.6	Very high	65 Å²	65	80.2 Å²	80.2	40%	0.399	42%	0.419	S	S	.	.	E	Extended strand (participates in β ladder)	trans	-130.5	131.6	-174.2	-173.1	0	0	0	0	111.6	G95 T96 F97	G95-T160 PolarHBondContact O-N 3.13Å; T96-T160 CarbonylContact C-O 3.59Å; T96-T160 VanDerWaalsContact CA-O 3.26Å; T96-T160 WeakPolarHBondContact CA-O 3.37Å; T96-T160 HydrophobicContact CG2-CG2 4.09Å; T96-T160 VanDerWaalsContact OG1-CG2 3.31Å; T96-T160 WeakPolarHBondContact OG1-CG2 3.33Å; F97-T160 VanDerWaalsContact CD1-O 3.27Å; F97-T160 WeakPolarHBondContact CD1-O 3.14Å; F97-T160 VanDerWaalsContact CE1-C 3.45Å; F97-T160 PolarHBondContact N-O 2.98Å
161	P	97.4	Very high	92.7	Very high	18 Å²	18	85.1 Å²	85.1	12%	0.117	44%	0.443	C	S	.	.	E	Extended strand (participates in β ladder)	trans	-76.2	130.9	176.5	28	-31.5	0	0	0	111.6	F75 F97 R163 I207	F75-P161 HydrophobicContact CB-CB 3.63Å; F75-P161 HydrophobicContact CD1-CB 3.37Å; F75-P161 HydrophobicContact CD1-CG 3.89Å; F75-P161 HydrophobicContact CD2-CB 4.02Å; F75-P161 HydrophobicContact CE1-CB 3.99Å; F75-P161 HydrophobicContact CE1-CG 4.27Å; F75-P161 HydrophobicContact CG-CB 3.39Å; F75-P161 HydrophobicContact CG-CG 4.4Å; F97-P161 HydrophobicContact CE1-CB 4.18Å; F97-P161 HydrophobicContact CE2-CB 4.14Å; F97-P161 HydrophobicContact CZ-CB 3.74Å; F97-P161 HydrophobicContact CZ-CG 4.42Å; F97-P161 CarbonylContact O-C 3.58Å; F97-P161 WeakPolarHBondContact O-CA 3.36Å; P161-R163 PolarHBondContact O-N 2.98Å; P161-R163 VanDerWaalsContact O-N 3.16Å; P161-I207 HydrophobicContact CG-CG1 4.41Å
162	L	98.1	Very high	92.8	Very high	7 Å²	7	83.8 Å²	83.8	4%	0.037	44%	0.436	C	S	.	.			trans	-77.6	96.5	169.1	179.8	61.4	0	0	0	109.9	F75 W77 K88 L89 E92 T96 F97 L98 R166	F75-L162 WeakPolarHBondContact CB-O 3.49Å; W77-L162 HydrophobicContact CZ2-CD2 4.43Å; W77-L162 HydrophobicContact CZ2-CG 4.19Å; W77-L162 PolarHBondContact NE1-O 2.82Å; K88-L162 HydrophobicContact CB-CD2 4.06Å; L89-L162 HydrophobicContact CD2-CB 4.47Å; L89-L162 HydrophobicContact CD2-CD2 4Å; E92-L162 HydrophobicContact CG-CD1 4.43Å; E92-L162 HydrophobicContact CG-CD2 4.41Å; T96-L162 HydrophobicContact CG2-CB 3.84Å; F97-L162 PolarHBondContact O-N 3.16Å; L98-L162 HydrophobicContact CB-CB 4.34Å; L98-L162 HydrophobicContact CD2-CD2 4.02Å; L162-R166 VanDerWaalsContact CD1-NH2 3.33Å
163	R	97.5	Very high	93.1	Very high	19 Å²	19	83 Å²	83	7%	0.072	42%	0.423	C	S	.	.			trans	-78.6	148.2	178.2	-67	173.2	169.7	-102.5	-3.5	112.2	C73 G74 F75 P161 V165 Q168 E172	C73-R163 VanDerWaalsContact O-CZ 3.3Å; C73-R163 PolarHBondContact O-NH1 2.81Å; C73-R163 VanDerWaalsContact O-NH1 3.16Å; C73-R163 PolarHBondContact O-NH2 2.86Å; G74-R163 CarbonylContact O-C 3.52Å; G74-R163 VanDerWaalsContact O-CA 3.26Å; G74-R163 WeakPolarHBondContact O-CA 3.37Å; F75-R163 HydrophobicContact CB-CG 3.98Å; F75-R163 HydrophobicContact CD1-CG 4.36Å; P161-R163 PolarHBondContact O-N 2.98Å; P161-R163 VanDerWaalsContact O-N 3.16Å; R163-V165 VanDerWaalsContact C-N 3.33Å; R163-V165 VanDerWaalsContact CB-O 3.22Å; R163-V165 WeakPolarHBondContact CB-O 3.45Å; R163-Q168 VanDerWaalsContact NH1-NE2 3.18Å; R163-E172 IonicContact CZ-OE1 3.93Å; R163-E172 VanDerWaalsContact CZ-OE1 3.22Å; R163-E172 IonicContact CZ-OE2 3.68Å; R163-E172 IonicContact NH1-OE1 3.83Å; R163-E172 PolarHBondContact NH1-OE1 3.41Å; R163-E172 IonicContact NH1-OE2 2.89Å; R163-E172 PolarHBondContact NH1-OE2 3.09Å; R163-E172 IonicContact NH2-OE1 3.13Å; R163-E172 PolarHBondContact NH2-OE1 2.99Å; R163-E172 IonicContact NH2-OE2 2.91Å
164	K	95.9	Very high	93.4	Very high	117 Å²	117	84.9 Å²	84.9	51%	0.509	44%	0.435	S	S	.	.	S	Bend	trans	-60	-44.4	171.5	-71.1	175.3	172.6	160.5	0	111.3	G74 Y76 W77	G74-K164 PolarHBondContact O-N 3.3Å; Y76-K164 WeakPolarHBondContact O-CE 3.39Å; Y76-K164 PolarHBondContact O-NZ 2.75Å; W77-K164 HydrophobicContact CD2-CG 4.07Å; W77-K164 HydrophobicContact CE3-CG 4.2Å; W77-K164 HydrophobicContact CH2-CG 4.23Å; W77-K164 HydrophobicContact CZ2-CG 4.11Å; W77-K164 HydrophobicContact CZ3-CG 4.26Å
165	V	95.9	Very high	94.1	Very high	107 Å²	107	79 Å²	79	65%	0.648	40%	0.396	S	S	*	.	S	Bend	trans	-108.9	118.5	171.9	-177.1	0	0	0	0	107.5	R163	R163-V165 VanDerWaalsContact C-N 3.33Å; R163-V165 VanDerWaalsContact CB-O 3.22Å; R163-V165 WeakPolarHBondContact CB-O 3.45Å
166	R	91	Very high	94.8	Very high	155 Å²	155	71.3 Å²	71.3	59%	0.585	37%	0.369	S	S	*	.	S	Bend	trans	-68	-39.4	-174.3	-69.9	-73.9	-169.7	160.3	5.6	112.6	E92 L162	E92-R166 IonicContact OE1-CZ 3.95Å; E92-R166 IonicContact OE1-NH1 3.96Å; E92-R166 IonicContact OE1-NH2 3.18Å; E92-R166 PolarHBondContact OE1-NH2 3.23Å; E92-R166 IonicContact OE2-CZ 2.77Å; E92-R166 IonicContact OE2-NH1 2.82Å; E92-R166 PolarHBondContact OE2-NH1 2.78Å; E92-R166 IonicContact OE2-NH2 2.72Å; E92-R166 PolarHBondContact OE2-NH2 3.39Å; L162-R166 VanDerWaalsContact CD1-NH2 3.33Å
167	V	94.2	Very high	95.6	Very high	123 Å²	123	67.6 Å²	67.6	75%	0.745	36%	0.362	S	S	*	.	S	Bend	trans	-84.7	119	179.8	-177.5	0	0	0	0	109.1
168	Q	94.3	Very high	96	Very high	37 Å²	37	67 Å²	67	17%	0.173	36%	0.356	C	S	.	.	P	Polyproline II helix	trans	-81.3	144.2	176.8	-60.7	-173.9	-97.1	0	0	110.7	R163 E172 L173	R163-Q168 VanDerWaalsContact NH1-NE2 3.18Å; Q168-E172 PolarHBondContact NE2-OE1 3.24Å; Q168-E172 PolarHBondContact NE2-OE2 3.18Å; Q168-L173 HydrophobicContact CB-CD2 3.82Å; Q168-L173 HydrophobicContact CB-CG 3.98Å; Q168-L173 HydrophobicContact CG-CD2 4.31Å
169	P	95.8	Very high	96	Very high	82 Å²	82	67 Å²	67	53%	0.532	36%	0.356	S	S	.	.	P	Polyproline II helix	trans	-57.6	144.9	168.4	-21.8	33.1	0	0	0	111.1	Q171 E172 L173	P169-Q171 PolarHBondContact O-N 3.4Å; P169-Q171 VanDerWaalsContact O-N 3.17Å; P169-E172 WeakPolarHBondContact O-CB 3.47Å; P169-E172 PolarHBondContact O-N 3.19Å; P169-L173 PolarHBondContact O-N 3.49Å
170	L	97.6	Very high	95.9	Very high	130 Å²	130	70.3 Å²	70.3	68%	0.681	36%	0.364	S	S	*	.	H	α-helix	trans	-53.9	-39.7	178.7	-179.7	60.8	0	0	0	112.2	E172 L173 C174	L170-E172 VanDerWaalsContact C-N 3.26Å; L170-E172 PolarHBondContact O-N 2.99Å; L170-L173 WeakPolarHBondContact O-CB 3.21Å; L170-L173 PolarHBondContact O-N 3.24Å; L170-C174 PolarHBondContact O-N 3.26Å; L170-C174 PolarHBondContact O-SG 3.41Å
171	Q	96.4	Very high	95.9	Very high	131 Å²	131	72.2 Å²	72.2	61%	0.612	38%	0.376	S	S	*	.	H	α-helix	trans	-57.7	-39	177.1	-66.3	178.3	-25.1	0	0	112.3	P169 C174 R175 Y199	P169-Q171 PolarHBondContact O-N 3.4Å; P169-Q171 VanDerWaalsContact O-N 3.17Å; Q171-C174 PolarHBondContact O-N 3.16Å; Q171-R175 WeakPolarHBondContact O-CB 3.35Å; Q171-R175 PolarHBondContact O-N 2.92Å; Q171-Y199 VanDerWaalsContact C-OH 3.25Å; Q171-Y199 HydrophobicContact CB-CE1 3.96Å; Q171-Y199 WeakPolarHBondContact CB-OH 3.23Å; Q171-Y199 WeakPolarHBondContact O-CE1 3.26Å; Q171-Y199 PolarHBondContact O-OH 3.43Å
172	E	96	Very high	95.8	Very high	16 Å²	16	76.3 Å²	76.3	8%	0.075	39%	0.392	C	S	.	.	H	α-helix	trans	-71.4	-40.1	179.8	-155.9	-165.4	171.4	0	0	111.3	R163 Q168 P169 L170 R175 K176 Y199	R163-E172 IonicContact CZ-OE1 3.93Å; R163-E172 VanDerWaalsContact CZ-OE1 3.22Å; R163-E172 IonicContact CZ-OE2 3.68Å; R163-E172 IonicContact NH1-OE1 3.83Å; R163-E172 PolarHBondContact NH1-OE1 3.41Å; R163-E172 IonicContact NH1-OE2 2.89Å; R163-E172 PolarHBondContact NH1-OE2 3.09Å; R163-E172 IonicContact NH2-OE1 3.13Å; R163-E172 PolarHBondContact NH2-OE1 2.99Å; R163-E172 IonicContact NH2-OE2 2.91Å; Q168-E172 PolarHBondContact NE2-OE1 3.24Å; Q168-E172 PolarHBondContact NE2-OE2 3.18Å; P169-E172 WeakPolarHBondContact O-CB 3.47Å; P169-E172 PolarHBondContact O-N 3.19Å; L170-E172 VanDerWaalsContact C-N 3.26Å; L170-E172 PolarHBondContact O-N 2.99Å; E172-R175 VanDerWaalsContact CG-NH2 3.25Å; E172-R175 PolarHBondContact O-N 2.9Å; E172-R175 IonicContact OE1-NH2 3.74Å; E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3.34Å; E172-Y199 PolarHBondContact N-OH 3.45Å
173	L	96.3	Very high	95.6	Very high	81 Å²	81	76.9 Å²	76.9	42%	0.424	40%	0.4	S	S	.	.	H	α-helix	trans	-60.7	-46.6	173.9	-63.8	177.1	0	0	0	111.1	Q168 P169 L170 K176 S177	Q168-L173 HydrophobicContact CB-CD2 3.82Å; Q168-L173 HydrophobicContact CB-CG 3.98Å; Q168-L173 HydrophobicContact CG-CD2 4.31Å; P169-L173 PolarHBondContact O-N 3.49Å; L170-L173 WeakPolarHBondContact O-CB 3.21Å; L170-L173 PolarHBondContact O-N 3.24Å; L173-K176 PolarHBondContact O-N 3.28Å; L173-S177 PolarHBondContact O-N 2.92Å
174	C	96.9	Very high	95.4	Very high	58 Å²	58	79.4 Å²	79.4	39%	0.392	41%	0.41	S	S	.	.	H	α-helix	trans	-60.7	-47.1	175	-67.6	0	0	0	0	111.3	L170 Q171 K176 S177 I178	L170-C174 PolarHBondContact O-N 3.26Å; L170-C174 PolarHBondContact O-SG 3.41Å; Q171-C174 PolarHBondContact O-N 3.16Å; C174-K176 PolarHBondContact O-N 3.3Å; C174-S177 PolarHBondContact O-N 3.1Å; C174-I178 WeakPolarHBondContact O-CB 3.46Å; C174-I178 WeakPolarHBondContact O-CD1 3.39Å; C174-I178 VanDerWaalsContact O-CG1 3.23Å; C174-I178 WeakPolarHBondContact O-CG1 3.29Å; C174-I178 PolarHBondContact O-N 3.14Å
175	R	97.3	Very high	95.2	Very high	9 Å²	9	80.8 Å²	80.8	3%	0.034	42%	0.418	C	S	.	.	H	α-helix	trans	-56.5	-50.2	177.6	-179.6	175.6	61.3	60.6	-4.8	111.4	Q171 E172 S177 I178 V179 Y199 L200 F203	Q171-R175 WeakPolarHBondContact O-CB 3.35Å; Q171-R175 PolarHBondContact O-N 2.92Å; E172-R175 VanDerWaalsContact CG-NH2 3.25Å; E172-R175 PolarHBondContact O-N 2.9Å; E172-R175 IonicContact OE1-NH2 3.74Å; R175-S177 PolarHBondContact O-N 2.94Å; R175-I178 PolarHBondContact O-N 2.97Å; R175-V179 HydrophobicContact CG-CG2 4.38Å; R175-V179 WeakPolarHBondContact O-CB 3.47Å; R175-V179 VanDerWaalsContact O-CG2 3.26Å; R175-V179 WeakPolarHBondContact O-CG2 3.36Å; R175-V179 PolarHBondContact O-N 2.96Å; R175-Y199 HydrophobicContact CB-CE1 3.83Å; R175-Y199 HydrophobicContact CG-CE1 4.35Å; R175-L200 HydrophobicContact CB-CD2 3.95Å; R175-L200 HydrophobicContact CG-CD2 3.74Å; R175-F203 WeakPolarHBondContact CD-O 3.45Å; R175-F203 VanDerWaalsContact CZ-CD1 3.48Å; R175-F203 PolarHBondContact NH1-O 3.21Å
176	K	95.4	Very high	95.2	Very high	63 Å²	63	78.8 Å²	78.8	27%	0.274	40%	0.404	S	S	.	.	H	α-helix	trans	-58.9	-45.2	178.1	174.6	167.6	168.9	159.1	0	112	E172 L173 C174 K180 Q206 I207	E172-K176 WeakPolarHBondContact O-CB 3.38Å; E172-K176 PolarHBondContact O-N 3.34Å; L173-K176 PolarHBondContact O-N 3.28Å; C174-K176 PolarHBondContact O-N 3.3Å; K176-K180 VanDerWaalsContact O-CB 3.29Å; K176-K180 WeakPolarHBondContact O-CB 3.31Å; K176-K180 PolarHBondContact O-N 2.97Å; K176-Q206 WeakPolarHBondContact CD-O 3.42Å; K176-Q206 WeakPolarHBondContact CE-O 3.31Å; K176-Q206 WeakPolarHBondContact CG-O 3.33Å; K176-Q206 PolarHBondContact NZ-O 3.45Å; K176-I207 PolarHBondContact NZ-OXT 3.34Å
177	S	96.7	Very high	95.3	Very high	70 Å²	70	71.5 Å²	71.5	49%	0.49	38%	0.376	S	S	.	.	H	α-helix	trans	-62.6	-45.4	177.4	-166.9	0	0	0	0	111.9	L173 C174 R175 K180 T181	L173-S177 PolarHBondContact O-N 2.92Å; C174-S177 PolarHBondContact O-N 3.1Å; R175-S177 PolarHBondContact O-N 2.94Å; S177-K180 PolarHBondContact O-N 3.2Å; S177-T181 PolarHBondContact O-N 3.38Å; S177-T181 PolarHBondContact O-OG1 3.05Å; S177-T181 VanDerWaalsContact O-OG1 3.12Å
178	I	96.7	Very high	95.2	Very high	43 Å²	43	70.2 Å²	70.2	22%	0.221	37%	0.365	C	S	.	.	H	α-helix	trans	-62.9	-48.4	179.4	-69.3	164.2	0	0	0	110.7	C174 R175 K180 T181 F182 L187 I190 L200	C174-I178 WeakPolarHBondContact O-CB 3.46Å; C174-I178 WeakPolarHBondContact O-CD1 3.39Å; C174-I178 VanDerWaalsContact O-CG1 3.23Å; C174-I178 WeakPolarHBondContact O-CG1 3.29Å; C174-I178 PolarHBondContact O-N 3.14Å; R175-I178 PolarHBondContact O-N 2.97Å; I178-K180 VanDerWaalsContact C-N 3.28Å; I178-K180 PolarHBondContact O-N 2.89Å; I178-T181 PolarHBondContact O-N 2.85Å; I178-F182 HydrophobicContact CG2-CD2 4.08Å; I178-F182 PolarHBondContact O-N 2.9Å; I178-L187 HydrophobicContact CG2-CD2 4.29Å; I178-I190 HydrophobicContact CG2-CD1 3.48Å; I178-I190 VanDerWaalsContact CG2-CD1 3.48Å; I178-L200 HydrophobicContact CB-CD2 4.32Å; I178-L200 HydrophobicContact CD1-CD2 4.08Å; I178-L200 HydrophobicContact CG2-CD1 3.87Å; I178-L200 HydrophobicContact CG2-CD2 4.23Å
179	V	95.8	Very high	95.2	Very high	2 Å²	2	75.7 Å²	75.7	1%	0.012	39%	0.391	C	S	.	.	H	α-helix	trans	-62.2	-38	179.3	174.2	0	0	0	0	111.2	R175 G183 L187 Q206	R175-V179 HydrophobicContact CG-CG2 4.38Å; R175-V179 WeakPolarHBondContact O-CB 3.47Å; R175-V179 VanDerWaalsContact O-CG2 3.26Å; R175-V179 WeakPolarHBondContact O-CG2 3.36Å; R175-V179 PolarHBondContact O-N 2.96Å; V179-G183 WeakPolarHBondContact O-CA 3.45Å; V179-G183 PolarHBondContact O-N 2.8Å; V179-L187 HydrophobicContact CG2-CD1 4.44Å; V179-L187 HydrophobicContact CG2-CD2 4.19Å; V179-Q206 HydrophobicContact CG1-CG 4.02Å
180	K	94.4	Very high	95.1	Very high	143 Å²	143	72.4 Å²	72.4	62%	0.622	37%	0.369	S	S	*	.	H	α-helix	trans	-65.1	-40.6	176.4	180	174.9	-179.8	-176.2	0	112.6	K176 S177 I178 Q206	K176-K180 VanDerWaalsContact O-CB 3.29Å; K176-K180 WeakPolarHBondContact O-CB 3.31Å; K176-K180 PolarHBondContact O-N 2.97Å; S177-K180 PolarHBondContact O-N 3.2Å; I178-K180 VanDerWaalsContact C-N 3.28Å; I178-K180 PolarHBondContact O-N 2.89Å; K180-Q206 HydrophobicContact CB-CG 4.14Å
181	T	95.1	Very high	95	Very high	105 Å²	105	72.5 Å²	72.5	64%	0.644	38%	0.377	S	S	*	.	H	α-helix	trans	-80	-44	-177.4	-57.9	0	0	0	0	112.9	S177 I178	S177-T181 PolarHBondContact O-N 3.38Å; S177-T181 PolarHBondContact O-OG1 3.05Å; S177-T181 VanDerWaalsContact O-OG1 3.12Å; I178-T181 PolarHBondContact O-N 2.85Å
182	F	94.8	Very high	95	Very high	104 Å²	104	68.9 Å²	68.9	46%	0.456	36%	0.362	S	S	.	.	H	α-helix	trans	-95.3	-24.1	-174.1	-71.2	-88.9	0	0	0	113.5	I178 N186 I190	I178-F182 HydrophobicContact CG2-CD2 4.08Å; I178-F182 PolarHBondContact O-N 2.9Å; F182-N186 WeakPolarHBondContact O-CB 3.49Å; F182-N186 PolarHBondContact O-ND2 3.34Å; F182-I190 HydrophobicContact CB-CD1 4.04Å; F182-I190 HydrophobicContact CD1-CD1 4.38Å; F182-I190 HydrophobicContact CD1-CG1 4.21Å; F182-I190 HydrophobicContact CD2-CD1 4.07Å; F182-I190 HydrophobicContact CG-CD1 3.9Å; F182-I190 HydrophobicContact CG-CG1 4.24Å
183	G	93.8	Very high	95	Very high	20 Å²	20	72.1 Å²	72.1	21%	0.206	38%	0.379	C	S	.	.			trans	80.4	148.8	-171.4	0	0	0	0	0	112.7	V179 E185 N186	V179-G183 WeakPolarHBondContact O-CA 3.45Å; V179-G183 PolarHBondContact O-N 2.8Å; G183-E185 VanDerWaalsContact C-N 3.25Å; G183-E185 PolarHBondContact O-N 2.82Å; G183-N186 PolarHBondContact O-N 2.97Å
184	R	92.9	Very high	95	Very high	72 Å²	72	72.7 Å²	72.7	27%	0.272	39%	0.388	S	S	.	.	G	3₁₀ helix	trans	-65.3	-26.9	-178.5	61.8	-175.3	133.9	-140.6	-9.8	113.5	E148 N186 L187 P204	E148-R184 IonicContact OE1-NH1 3.22Å; E148-R184 IonicContact OE2-CZ 3.98Å; E148-R184 IonicContact OE2-NH1 3.54Å; E148-R184 PolarHBondContact OE2-NH1 2.94Å; E148-R184 IonicContact OE2-NH2 2.87Å; E148-R184 PolarHBondContact OE2-NH2 2.8Å; R184-N186 VanDerWaalsContact C-N 3.29Å; R184-N186 PolarHBondContact O-N 2.78Å; R184-L187 HydrophobicContact CB-CD1 4.41Å; R184-L187 WeakPolarHBondContact O-CG 3.38Å; R184-P204 HydrophobicContact CB-CB 3.74Å; R184-P204 HydrophobicContact CB-CG 4.49Å
185	E	93.1	Very high	95	Very high	145 Å²	145	75.2 Å²	75.2	68%	0.678	40%	0.402	S	S	*	.	G	3₁₀ helix	trans	-68.6	-28.2	178	-12.2	-61.9	123.2	0	0	112.2	G183	G183-E185 VanDerWaalsContact C-N 3.25Å; G183-E185 PolarHBondContact O-N 2.82Å
186	N	94.5	Very high	95	Very high	65 Å²	65	78.3 Å²	78.3	35%	0.348	42%	0.418	S	S	.	.	G	3₁₀ helix	trans	-100.5	3.6	-172.1	-59.1	-49.4	0	0	0	114.1	F182 G183 R184 N188 Q189	F182-N186 WeakPolarHBondContact O-CB 3.49Å; F182-N186 PolarHBondContact O-ND2 3.34Å; G183-N186 PolarHBondContact O-N 2.97Å; R184-N186 VanDerWaalsContact C-N 3.29Å; R184-N186 PolarHBondContact O-N 2.78Å; N186-N188 PolarHBondContact O-N 3.12Å; N186-Q189 WeakPolarHBondContact O-CB 3.24Å; N186-Q189 PolarHBondContact O-N 3.38Å; N186-Q189 PolarHBondContact OD1-NE2 2.75Å
187	L	93.5	Very high	95	Very high	3 Å²	3	77.5 Å²	77.5	2%	0.016	42%	0.415	C	S	.	.	G	3₁₀ helix	trans	-58.6	-26.6	-174.8	-63	177.1	0	0	0	113.7	I178 V179 R184 Q189 I190 L200 P204	I178-L187 HydrophobicContact CG2-CD2 4.29Å; V179-L187 HydrophobicContact CG2-CD1 4.44Å; V179-L187 HydrophobicContact CG2-CD2 4.19Å; R184-L187 HydrophobicContact CB-CD1 4.41Å; R184-L187 WeakPolarHBondContact O-CG 3.38Å; L187-Q189 VanDerWaalsContact C-N 3.29Å; L187-Q189 PolarHBondContact O-N 2.94Å; L187-I190 HydrophobicContact CD2-CD1 3.88Å; L187-L200 HydrophobicContact CD1-CB 4.15Å; L187-L200 HydrophobicContact CD2-CB 4.4Å; L187-L200 HydrophobicContact CD2-CD1 4.26Å; L187-P204 HydrophobicContact CD1-CB 3.84Å
188	N	92.2	Very high	95	Very high	95 Å²	95	78.8 Å²	78.8	51%	0.508	42%	0.416	S	S	.	.	G	3₁₀ helix	trans	-68.7	-26.6	177.3	-71.5	-38.7	0	0	0	113.6	N186 I190 K197 K201	N186-N188 PolarHBondContact O-N 3.12Å; N188-I190 VanDerWaalsContact C-N 3.34Å; N188-K197 PolarHBondContact O-NZ 3.18Å; N188-K201 WeakPolarHBondContact OD1-CE 3.12Å; N188-K201 PolarHBondContact OD1-NZ 3.31Å
189	Q	93.2	Very high	95	Very high	152 Å²	152	80.1 Å²	80.1	71%	0.71	42%	0.419	S	S	*	.	G	3₁₀ helix	trans	-83.2	-14	-175.4	-58.3	174.2	28.7	0	0	112.5	N186 L187	N186-Q189 WeakPolarHBondContact O-CB 3.24Å; N186-Q189 PolarHBondContact O-N 3.38Å; N186-Q189 PolarHBondContact OD1-NE2 2.75Å; L187-Q189 VanDerWaalsContact C-N 3.29Å; L187-Q189 PolarHBondContact O-N 2.94Å
190	I	94.5	Very high	95	Very high	14 Å²	14	80.2 Å²	80.2	7%	0.072	42%	0.419	C	S	.	.	S	Bend	trans	-69.4	135.3	-178.9	-51.3	-179.6	0	0	0	109.3	I178 F182 L187 N188 L192 K197 L200	I178-I190 HydrophobicContact CG2-CD1 3.48Å; I178-I190 VanDerWaalsContact CG2-CD1 3.48Å; F182-I190 HydrophobicContact CB-CD1 4.04Å; F182-I190 HydrophobicContact CD1-CD1 4.38Å; F182-I190 HydrophobicContact CD1-CG1 4.21Å; F182-I190 HydrophobicContact CD2-CD1 4.07Å; F182-I190 HydrophobicContact CG-CD1 3.9Å; F182-I190 HydrophobicContact CG-CG1 4.24Å; L187-I190 HydrophobicContact CD2-CD1 3.88Å; N188-I190 VanDerWaalsContact C-N 3.34Å; I190-L192 HydrophobicContact CB-CD1 4.48Å; I190-L192 HydrophobicContact CB-CG 4.5Å; I190-L192 HydrophobicContact CG2-CD1 3.8Å; I190-L192 HydrophobicContact CG2-CG 3.72Å; I190-L192 PolarHBondContact O-N 3.06Å; I190-K197 WeakPolarHBondContact O-CE 3.23Å; I190-K197 PolarHBondContact O-NZ 3.09Å; I190-K197 VanDerWaalsContact O-NZ 3.12Å; I190-L200 HydrophobicContact CD1-CD1 4.26Å
191	P	95.8	Very high	95	Very high	131 Å²	131	77.8 Å²	77.8	85%	0.851	41%	0.409	S	S	*	.	S	Bend	trans	-75.8	64.6	179.2	32.6	-37.5	0	0	0	111.8
192	L	95.3	Very high	95	Very high	56 Å²	56	76.1 Å²	76.1	29%	0.293	40%	0.401	S	S	.	.			trans	-116.2	156.8	175.5	-66.7	174.7	0	0	0	111.1	I190 L196 K197 L200	I190-L192 HydrophobicContact CB-CD1 4.48Å; I190-L192 HydrophobicContact CB-CG 4.5Å; I190-L192 HydrophobicContact CG2-CD1 3.8Å; I190-L192 HydrophobicContact CG2-CG 3.72Å; I190-L192 PolarHBondContact O-N 3.06Å; L192-L196 HydrophobicContact CB-CB 4.18Å; L192-L196 HydrophobicContact CD1-CB 4.35Å; L192-L196 HydrophobicContact CD2-CD1 4.14Å; L192-K197 HydrophobicContact CB-CG 4.16Å; L192-K197 WeakPolarHBondContact O-CE 3.28Å; L192-L200 HydrophobicContact CD1-CD1 3.61Å
193	N	96.9	Very high	95.1	Very high	83 Å²	83	71.3 Å²	71.3	44%	0.444	38%	0.38	S	S	.	.			trans	-64.3	158.9	171.5	70.3	47.6	0	0	0	111.4	V195 L196 K197	N193-V195 VanDerWaalsContact C-N 3.32Å; N193-V195 PolarHBondContact O-N 3.3Å; N193-V195 PolarHBondContact OD1-N 2.89Å; N193-L196 PolarHBondContact O-N 3.35Å; N193-L196 WeakPolarHBondContact OD1-CB 3.43Å; N193-L196 WeakPolarHBondContact OD1-CG 3.38Å; N193-L196 PolarHBondContact OD1-N 3.4Å; N193-K197 PolarHBondContact O-N 2.97Å
194	P	96.3	Very high	95.1	Very high	94 Å²	94	71.6 Å²	71.6	61%	0.61	38%	0.378	S	S	*	.	H	α-helix	trans	-57	-40.5	-177.3	-27.2	35.9	0	0	0	113.9	L196 K197 D198	P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 2.94Å; P194-K197 WeakPolarHBondContact O-CB 3.3Å; P194-K197 PolarHBondContact O-N 2.9Å; P194-K197 VanDerWaalsContact O-N 3.11Å; P194-D198 VanDerWaalsContact O-CG 3.31Å; P194-D198 PolarHBondContact O-N 3.21Å
195	V	97.2	Very high	95.3	Very high	111 Å²	111	68.6 Å²	68.6	67%	0.673	37%	0.367	S	S	*	.	H	α-helix	trans	-59.9	-44.2	-179.5	179.9	0	0	0	0	111.5	N193 D198 Y199	N193-V195 VanDerWaalsContact C-N 3.32Å; N193-V195 PolarHBondContact O-N 3.3Å; N193-V195 PolarHBondContact OD1-N 2.89Å; V195-D198 PolarHBondContact O-N 3.27Å; V195-Y199 PolarHBondContact O-N 2.88Å
196	L	96.3	Very high	95.2	Very high	73 Å²	73	65.4 Å²	65.4	38%	0.382	35%	0.353	S	S	.	.	H	α-helix	trans	-70	-36.6	176.4	-69	176.8	0	0	0	111.5	L192 N193 P194 D198 Y199 L200	L192-L196 HydrophobicContact CB-CB 4.18Å; L192-L196 HydrophobicContact CD1-CB 4.35Å; L192-L196 HydrophobicContact CD2-CD1 4.14Å; N193-L196 PolarHBondContact O-N 3.35Å; N193-L196 WeakPolarHBondContact OD1-CB 3.43Å; N193-L196 WeakPolarHBondContact OD1-CG 3.38Å; N193-L196 PolarHBondContact OD1-N 3.4Å; P194-L196 VanDerWaalsContact C-N 3.34Å; P194-L196 PolarHBondContact O-N 2.94Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-D198 PolarHBondContact O-N 3.2Å; L196-Y199 WeakPolarHBondContact O-CB 3.12Å; L196-Y199 PolarHBondContact O-N 3.48Å; L196-L200 VanDerWaalsContact O-CG 3.31Å; L196-L200 WeakPolarHBondContact O-CG 3.41Å; L196-L200 PolarHBondContact O-N 2.92Å
197	K	96.1	Very high	94.9	Very high	47 Å²	47	62.6 Å²	62.6	20%	0.204	34%	0.337	C	S	.	.	H	α-helix	trans	-61.3	-42.7	173.2	-72.1	-176.5	177.3	-177.8	0	111.5	N188 I190 L192 N193 P194 Y199 L200 K201	N188-K197 PolarHBondContact O-NZ 3.18Å; I190-K197 WeakPolarHBondContact O-CE 3.23Å; I190-K197 PolarHBondContact O-NZ 3.09Å; I190-K197 VanDerWaalsContact O-NZ 3.12Å; L192-K197 HydrophobicContact CB-CG 4.16Å; L192-K197 WeakPolarHBondContact O-CE 3.28Å; N193-K197 PolarHBondContact O-N 2.97Å; P194-K197 WeakPolarHBondContact O-CB 3.3Å; P194-K197 PolarHBondContact O-N 2.9Å; P194-K197 VanDerWaalsContact O-N 3.11Å; K197-Y199 VanDerWaalsContact C-N 3.35Å; K197-L200 PolarHBondContact O-N 2.68Å; K197-K201 VanDerWaalsContact O-CG 3.29Å; K197-K201 WeakPolarHBondContact O-CG 3.3Å; K197-K201 PolarHBondContact O-N 3.07Å
198	D	96.1	Very high	95	Very high	97 Å²	97	65.6 Å²	65.6	52%	0.519	35%	0.354	S	S	.	.	H	α-helix	trans	-66	-39.4	177.2	-66.9	-18.9	0	0	0	111.1	P194 V195 L196 L200 K201 S202	P194-D198 VanDerWaalsContact O-CG 3.31Å; P194-D198 PolarHBondContact O-N 3.21Å; V195-D198 PolarHBondContact O-N 3.27Å; L196-D198 VanDerWaalsContact C-N 3.32Å; L196-D198 PolarHBondContact O-N 3.2Å; D198-L200 PolarHBondContact O-N 3.47Å; D198-K201 PolarHBondContact O-N 2.94Å; D198-S202 PolarHBondContact O-N 3.11Å
199	Y	96.7	Very high	95.1	Very high	70 Å²	70	64.1 Å²	64.1	28%	0.275	35%	0.345	S	S	.	.	H	α-helix	trans	-59.1	-45.2	171.3	178.7	-106	0	0	0	112.3	Q171 E172 R175 V195 L196 K197 K201 S202	Q171-Y199 VanDerWaalsContact C-OH 3.25Å; Q171-Y199 HydrophobicContact CB-CE1 3.96Å; Q171-Y199 WeakPolarHBondContact CB-OH 3.23Å; Q171-Y199 WeakPolarHBondContact O-CE1 3.26Å; Q171-Y199 PolarHBondContact O-OH 3.43Å; E172-Y199 PolarHBondContact N-OH 3.45Å; R175-Y199 HydrophobicContact CB-CE1 3.83Å; R175-Y199 HydrophobicContact CG-CE1 4.35Å; V195-Y199 PolarHBondContact O-N 2.88Å; L196-Y199 WeakPolarHBondContact O-CB 3.12Å; L196-Y199 PolarHBondContact O-N 3.48Å; K197-Y199 VanDerWaalsContact C-N 3.35Å; Y199-K201 VanDerWaalsContact C-N 3.33Å; Y199-K201 PolarHBondContact O-N 3.03Å; Y199-S202 WeakPolarHBondContact O-CB 3.08Å; Y199-S202 PolarHBondContact O-N 3.47Å; Y199-S202 PolarHBondContact O-OG 3.11Å
200	L	96.3	Very high	95.3	Very high	5 Å²	5	59.2 Å²	59.2	3%	0.026	33%	0.325	C	S	.	.	H	α-helix	trans	-62.6	-40.2	176.4	-64.8	178.2	0	0	0	111.9	R175 I178 L187 I190 L192 L196 K197 D198 S202 F203	R175-L200 HydrophobicContact CB-CD2 3.95Å; R175-L200 HydrophobicContact CG-CD2 3.74Å; I178-L200 HydrophobicContact CB-CD2 4.32Å; I178-L200 HydrophobicContact CD1-CD2 4.08Å; I178-L200 HydrophobicContact CG2-CD1 3.87Å; I178-L200 HydrophobicContact CG2-CD2 4.23Å; L187-L200 HydrophobicContact CD1-CB 4.15Å; L187-L200 HydrophobicContact CD2-CB 4.4Å; L187-L200 HydrophobicContact CD2-CD1 4.26Å; I190-L200 HydrophobicContact CD1-CD1 4.26Å; L192-L200 HydrophobicContact CD1-CD1 3.61Å; L196-L200 VanDerWaalsContact O-CG 3.31Å; L196-L200 WeakPolarHBondContact O-CG 3.41Å; L196-L200 PolarHBondContact O-N 2.92Å; K197-L200 PolarHBondContact O-N 2.68Å; D198-L200 PolarHBondContact O-N 3.47Å; L200-S202 VanDerWaalsContact C-N 3.34Å; L200-F203 CarbonylContact O-C 3.44Å
201	K	94.9	Very high	95.3	Very high	92 Å²	92	61.8 Å²	61.8	40%	0.4	34%	0.34	S	S	.	.	H	α-helix	trans	-72.3	-23.8	178.5	-71.3	170.8	-175.8	174.8	0	113.9	N188 K197 D198 Y199 F203 P204	N188-K201 WeakPolarHBondContact OD1-CE 3.12Å; N188-K201 PolarHBondContact OD1-NZ 3.31Å; K197-K201 VanDerWaalsContact O-CG 3.29Å; K197-K201 WeakPolarHBondContact O-CG 3.3Å; K197-K201 PolarHBondContact O-N 3.07Å; D198-K201 PolarHBondContact O-N 2.94Å; Y199-K201 VanDerWaalsContact C-N 3.33Å; Y199-K201 PolarHBondContact O-N 3.03Å; K201-F203 PolarHBondContact O-N 3.21Å; K201-P204 WeakPolarHBondContact O-CD 3.43Å
202	S	94.7	Very high	95.3	Very high	69 Å²	69	57.5 Å²	57.5	48%	0.483	31%	0.308	S	S	.	.	H	α-helix	trans	-61.7	-31.2	179.2	74	0	0	0	0	112.2	L69 D198 Y199 L200	L69-S202 WeakPolarHBondContact CD2-O 3.38Å; D198-S202 PolarHBondContact O-N 3.11Å; Y199-S202 WeakPolarHBondContact O-CB 3.08Å; Y199-S202 PolarHBondContact O-N 3.47Å; Y199-S202 PolarHBondContact O-OG 3.11Å; L200-S202 VanDerWaalsContact C-N 3.34Å
203	F	96.3	Very high	95.3	Very high	3 Å²	3	57.6 Å²	57.6	1%	0.013	31%	0.309	C	S	.	.	S	Bend	trans	-148.9	85.2	174.4	-165.2	-77.8	0	0	0	109.8	L69 A72 C73 F144 R175 L200 K201 F205 I207	L69-F203 HydrophobicContact CB-CE2 4.45Å; L69-F203 HydrophobicContact CD2-CD2 3.83Å; L69-F203 HydrophobicContact CD2-CE2 4.46Å; L69-F203 WeakPolarHBondContact O-CE2 3.35Å; A72-F203 HydrophobicContact CB-CD2 4.16Å; C73-F203 HydrophobicContact CB-CE2 3.59Å; C73-F203 HydrophobicContact CB-CZ 3.6Å; F144-F203 HydrophobicContact CD1-CE1 4.44Å; F144-F203 AromaticContact CD1-CE2 3.97Å; F144-F203 HydrophobicContact CD1-CE2 3.97Å; F144-F203 AromaticContact CD1-CZ 3.59Å; F144-F203 HydrophobicContact CD1-CZ 3.59Å; F144-F203 AromaticContact CE1-CE2 3.52Å; F144-F203 HydrophobicContact CE1-CE2 3.52Å; F144-F203 AromaticContact CE1-CZ 3.35Å; F144-F203 HydrophobicContact CE1-CZ 3.35Å; F144-F203 AromaticContact CZ-CE2 3.86Å; F144-F203 HydrophobicContact CZ-CE2 3.86Å; F144-F203 HydrophobicContact CZ-CZ 4.17Å; R175-F203 WeakPolarHBondContact CD-O 3.45Å; R175-F203 VanDerWaalsContact CZ-CD1 3.48Å; R175-F203 PolarHBondContact NH1-O 3.21Å; L200-F203 CarbonylContact O-C 3.44Å; K201-F203 PolarHBondContact O-N 3.21Å; F203-F205 VanDerWaalsContact C-N 3.28Å; F203-F205 HydrophobicContact CD1-CB 3.93Å; F203-F205 AromaticContact CD1-CD2 3.64Å; F203-F205 HydrophobicContact CD1-CD2 3.64Å; F203-F205 HydrophobicContact CD1-CG 4.28Å; F203-F205 HydrophobicContact CD2-CD2 4.23Å; F203-F205 HydrophobicContact CE1-CB 3.7Å; F203-F205 AromaticContact CE1-CD2 3.8Å; F203-F205 HydrophobicContact CE1-CD2 3.8Å; F203-F205 HydrophobicContact CE1-CG 4.21Å; F203-F205 HydrophobicContact CE2-CD2 4.26Å; F203-F205 AromaticContact CG-CD2 3.95Å; F203-F205 HydrophobicContact CG-CD2 3.95Å; F203-F205 HydrophobicContact CZ-CD2 4.1Å; F203-F205 PolarHBondContact O-N 3.41Å; F203-F205 VanDerWaalsContact O-N 3.12Å; F203-I207 HydrophobicContact CE1-CG2 3.93Å; F203-I207 HydrophobicContact CZ-CG2 4.12Å
204	P	95.7	Very high	95.2	Very high	26 Å²	26	55.8 Å²	55.8	17%	0.169	30%	0.299	C	S	.	.			trans	-94.2	59.2	-172.9	38.3	-34.5	0	0	0	110.6	R184 L187 K201	R184-P204 HydrophobicContact CB-CB 3.74Å; R184-P204 HydrophobicContact CB-CG 4.49Å; L187-P204 HydrophobicContact CD1-CB 3.84Å; K201-P204 WeakPolarHBondContact O-CD 3.43Å
205	F	95.5	Very high	95.1	Very high	9 Å²	9	52.8 Å²	52.8	4%	0.039	28%	0.276	C	S	.	.			trans	-130.3	151.4	-179.6	-52.8	-77.6	0	0	0	110.9	L69 F144 K145 E148 F203 I207	L69-F205 HydrophobicContact CD1-CE2 3.78Å; L69-F205 HydrophobicContact CD1-CZ 4.07Å; L69-F205 HydrophobicContact CD2-CE2 3.98Å; L69-F205 HydrophobicContact CG-CE2 4.47Å; F144-F205 HydrophobicContact CB-CD1 3.45Å; F144-F205 VanDerWaalsContact CB-CD1 3.45Å; F144-F205 HydrophobicContact CB-CD2 3.78Å; F144-F205 HydrophobicContact CB-CE1 3.38Å; F144-F205 HydrophobicContact CB-CE2 3.7Å; F144-F205 HydrophobicContact CB-CG 3.68Å; F144-F205 HydrophobicContact CB-CZ 3.53Å; F144-F205 HydrophobicContact CD1-CD2 4.24Å; F144-F205 HydrophobicContact CD1-CG 4.44Å; F144-F205 HydrophobicContact CD2-CE2 4.42Å; F144-F205 HydrophobicContact CG-CD2 4.02Å; F144-F205 HydrophobicContact CG-CE1 4.5Å; F144-F205 HydrophobicContact CG-CE2 4Å; F144-F205 HydrophobicContact CG-CG 4.31Å; F144-F205 HydrophobicContact CG-CZ 4.27Å; K145-F205 HydrophobicContact CG-CE1 4.31Å; E148-F205 WeakPolarHBondContact OE1-CA 3.49Å; E148-F205 WeakPolarHBondContact OE1-CB 3.45Å; F203-F205 VanDerWaalsContact C-N 3.28Å; F203-F205 HydrophobicContact CD1-CB 3.93Å; F203-F205 AromaticContact CD1-CD2 3.64Å; F203-F205 HydrophobicContact CD1-CD2 3.64Å; F203-F205 HydrophobicContact CD1-CG 4.28Å; F203-F205 HydrophobicContact CD2-CD2 4.23Å; F203-F205 HydrophobicContact CE1-CB 3.7Å; F203-F205 AromaticContact CE1-CD2 3.8Å; F203-F205 HydrophobicContact CE1-CD2 3.8Å; F203-F205 HydrophobicContact CE1-CG 4.21Å; F203-F205 HydrophobicContact CE2-CD2 4.26Å; F203-F205 AromaticContact CG-CD2 3.95Å; F203-F205 HydrophobicContact CG-CD2 3.95Å; F203-F205 HydrophobicContact CZ-CD2 4.1Å; F203-F205 PolarHBondContact O-N 3.41Å; F203-F205 VanDerWaalsContact O-N 3.12Å; F205-I207 VanDerWaalsContact C-N 3.31Å; F205-I207 HydrophobicContact CB-CG2 3.77Å
206	Q	92.1	Very high	94.9	Very high	79 Å²	79	48 Å²	48	37%	0.369	24%	0.242	S	C	.	.			trans	-87.1	-0.1	-178.2	-54.4	-178.5	37.5	0	0	113.3	E148 K176 V179 K180	E148-Q206 PolarHBondContact OE1-N 3.48Å; K176-Q206 WeakPolarHBondContact CD-O 3.42Å; K176-Q206 WeakPolarHBondContact CE-O 3.31Å; K176-Q206 WeakPolarHBondContact CG-O 3.33Å; K176-Q206 PolarHBondContact NZ-O 3.45Å; V179-Q206 HydrophobicContact CG1-CG 4.02Å; K180-Q206 HydrophobicContact CB-CG 4.14Å
207	I	88.2	Confident	94.8	Very high	6 Å²	6	45.7 Å²	45.7	3%	0.031	23%	0.23	C	C	.	.			trans	-84.2	0	-177.5	-172.7	175.1	0	0	0	112.3	F75 F97 F144 L147 I151 P161 K176 F203 F205	F75-I207 HydrophobicContact CE1-CD1 4.01Å; F75-I207 HydrophobicContact CE1-CG1 3.91Å; F75-I207 HydrophobicContact CE2-CD1 4.08Å; F75-I207 HydrophobicContact CZ-CD1 3.42Å; F75-I207 VanDerWaalsContact CZ-CD1 3.42Å; F75-I207 HydrophobicContact CZ-CG1 3.85Å; F75-I207 HydrophobicContact CZ-CG2 4.33Å; F97-I207 HydrophobicContact CE2-CD1 4.32Å; F97-I207 HydrophobicContact CZ-CD1 3.85Å; F97-I207 HydrophobicContact CZ-CG1 4.47Å; F144-I207 HydrophobicContact CD1-CG2 4.02Å; L147-I207 HydrophobicContact CB-CD1 3.84Å; L147-I207 HydrophobicContact CD1-CD1 4Å; I151-I207 HydrophobicContact CD1-CB 4.27Å; I151-I207 HydrophobicContact CD1-CD1 3.36Å; I151-I207 HydrophobicContact CD1-CG1 3.61Å; P161-I207 HydrophobicContact CG-CG1 4.41Å; K176-I207 PolarHBondContact NZ-OXT 3.34Å; F203-I207 HydrophobicContact CE1-CG2 3.93Å; F203-I207 HydrophobicContact CZ-CG2 4.12Å; F205-I207 VanDerWaalsContact C-N 3.31Å; F205-I207 HydrophobicContact CB-CG2 3.77Å

Retrieved 207 of 207 residues in 68.6 ms (Link to these results)

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